A0A087XA25_POEFO Loading...

Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3

Dioxygenase that mediates demethylation of DNA and RNA containing 1-methyladenosine (m1A). Repairs alkylated DNA containing 1-methyladenosine (m1A) and 3-methylcytosine (m3C) by oxidative demethylation. Has a strong preference for single-stranded DNA. Able to process alkylated m3C within double-stranded regions via its interaction with ASCC3, which promotes DNA unwinding to generate single-stranded substrate needed for ALKBH3. Can repair exocyclic 3,N4-ethenocytosine adducs in single-stranded DNA. Also acts on RNA. Demethylates N(1)-methyladenosine (m1A) RNA, an epigenetic internal modification of messenger RNAs (mRNAs) highly enriched within 5'-untranslated regions (UTRs) and in the vicinity of start codons. Requires molecular oxygen, alpha-ketoglutarate and iron.

AlphaFold DB , UniProt , Accession A0A087XA25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	35.3	Very low	240 Å²	240	181.5 Å²	181.5	100%	1.182	88%	0.879	S	S	*	*				0	87.3	0	-56.7	175.5	-170.7	0	0	105.6
2	S	33.9	Very low	34.7	Very low	121 Å²	121	171.8 Å²	171.8	85%	0.846	86%	0.862	S	S	*	*				74.6	114.9	81.4	-165	0	0	0	0	112
3	D	35.6	Very low	34.5	Very low	145 Å²	145	167.6 Å²	167.6	78%	0.775	86%	0.859	S	S	*	*			trans	-61.5	148.7	-170.6	-74.4	-92.3	0	0	0	115.9
4	K	37.1	Very low	34	Very low	216 Å²	216	174.6 Å²	174.6	94%	0.939	87%	0.869	S	S	*	*			trans	-130.2	51.4	157.9	-76.8	-167.5	174.6	-179.5	0	112.8
5	R	41	Very low	34	Very low	226 Å²	226	168.5 Å²	168.5	85%	0.853	86%	0.857	S	S	*	*			trans	-104.7	105.7	156.1	-87.9	-171.6	168.4	-160.1	-1.5	109.8
6	Q	34.8	Very low	34	Very low	148 Å²	148	171.1 Å²	171.1	69%	0.692	86%	0.861	S	S	*	*			trans	-174.7	140.1	141.7	-106.5	177	42.7	0	0	114.1
7	R	35.4	Very low	33.9	Very low	217 Å²	217	172.3 Å²	172.3	82%	0.819	86%	0.863	S	S	*	*			trans	59.8	101.6	146.1	-61.7	167.5	-174	171.4	7.7	119.2
8	A	33.4	Very low	34.2	Very low	112 Å²	112	171.8 Å²	171.8	93%	0.926	86%	0.863	S	S	*	*				-120.6	136.5	125.4	0	0	0	0	0	107.7
9	R	32.2	Very low	34.5	Very low	240 Å²	240	168.9 Å²	168.9	91%	0.906	86%	0.857	S	S	*	*			trans	-122.8	137.7	-175.5	-172.8	179.3	-175.4	177.3	1.9	110.3	Q11	R9-Q11 PolarHBondContact O-N 3.22Å
10	V	32.6	Very low	34.4	Very low	133 Å²	133	170.5 Å²	170.5	81%	0.806	86%	0.858	S	S	*	*			trans	-32.5	125.7	175.7	-177.5	0	0	0	0	114.6
11	Q	32.6	Very low	34.4	Very low	198 Å²	198	168.5 Å²	168.5	93%	0.925	86%	0.857	S	S	*	*			trans	-134.5	121.9	138.7	-77.3	-163.5	-35.3	0	0	108.8	R9	R9-Q11 PolarHBondContact O-N 3.22Å
12	G	28.4	Very low	34.1	Very low	66 Å²	66	162.5 Å²	162.5	68%	0.68	84%	0.839	S	S	*	*			trans	-100.8	148.8	167.1	0	0	0	0	0	109.9
13	S	31.2	Very low	33.9	Very low	117 Å²	117	165 Å²	165	82%	0.818	84%	0.842	S	S	*	*			trans	-142	89.3	173.8	-166.5	0	0	0	0	110.5	A15	S13-A15 PolarHBondContact O-N 3.33Å
14	W	28.4	Very low	33.7	Very low	265 Å²	265	163.8 Å²	163.8	100%	1.004	85%	0.845	S	S	*	*			trans	-90.5	87.3	174.6	-91.2	78.9	0	0	0	110.2
15	A	33.1	Very low	33.4	Very low	83 Å²	83	162.3 Å²	162.3	69%	0.686	84%	0.842	S	S	*	*			trans	-175.3	116.6	153	0	0	0	0	0	111	S13	S13-A15 PolarHBondContact O-N 3.33Å
16	K	34.3	Very low	32.7	Very low	211 Å²	211	158 Å²	158	92%	0.917	84%	0.84	S	S	*	*			trans	-107.4	121.4	153	-79.9	-172.5	175.6	-179.2	0	107.7
17	Q	33.3	Very low	32.4	Very low	191 Å²	191	154.7 Å²	154.7	89%	0.893	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75.7	143	177.2	-69	177.9	-21.2	0	0	110.4
18	L	37.7	Very low	32.1	Very low	164 Å²	164	150 Å²	150	86%	0.859	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-74.1	144.9	174.2	-71.4	164.5	0	0	0	110.7
19	P	39.9	Very low	31.7	Very low	117 Å²	117	148 Å²	148	76%	0.76	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-71.2	146.4	178.5	29.5	-34.3	0	0	0	112.2
20	K	33	Very low	31.6	Very low	199 Å²	199	145.6 Å²	145.6	87%	0.865	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-77.4	142	173	-65.6	177.8	178.2	177.7	0	110.9
21	P	35.7	Very low	31.3	Very low	129 Å²	129	145.6 Å²	145.6	84%	0.838	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72.5	153.9	164.5	31.7	-34	0	0	0	111.5
22	S	31.5	Very low	31.3	Very low	115 Å²	115	143.8 Å²	143.8	80%	0.804	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-101.4	147.4	179.8	51.6	0	0	0	0	112.7
23	N	30.3	Very low	31.4	Very low	173 Å²	173	148.7 Å²	148.7	93%	0.925	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-71.3	144.4	176.7	-83.7	-12.5	0	0	0	113.5
24	S	31.2	Very low	31.5	Very low	119 Å²	119	148.7 Å²	148.7	83%	0.832	83%	0.829	S	S	*	*			trans	-145	148.4	152.9	55.1	0	0	0	0	110.2
25	Q	30.4	Very low	31.6	Very low	186 Å²	186	144.9 Å²	144.9	87%	0.869	82%	0.819	S	S	*	*			trans	-88.7	169.8	175.6	-55	166.6	-20.9	0	0	108.9
26	T	27.9	Very low	31.4	Very low	134 Å²	134	148.1 Å²	148.1	82%	0.822	83%	0.825	S	S	*	*			cis	-130.4	-159.2	13.1	50.1	0	0	0	0	109.1
27	A	28.3	Very low	31.4	Very low	79 Å²	79	144.5 Å²	144.5	65%	0.653	82%	0.82	S	S	*	*			cis	-156.4	168.1	6	0	0	0	0	0	113.7
28	S	28.1	Very low	31.4	Very low	118 Å²	118	142.4 Å²	142.4	83%	0.825	82%	0.815	S	S	*	*			trans	24.6	114.2	148.8	60.9	0	0	0	0	122.6
29	G	25.9	Very low	31.1	Very low	72 Å²	72	139.8 Å²	139.8	74%	0.742	82%	0.817	S	S	*	*				111.8	102.2	104.9	0	0	0	0	0	119.8
30	L	28.9	Very low	30.9	Very low	188 Å²	188	138.8 Å²	138.8	98%	0.984	82%	0.818	S	S	*	*				-168.9	169.9	110.7	-101.8	165.1	0	0	0	111.4
31	N	27.9	Very low	31.1	Very low	133 Å²	133	134.5 Å²	134.5	71%	0.711	81%	0.814	S	S	*	*			trans	-115.6	132.5	-164.1	179.7	24.1	0	0	0	112.3
32	N	32.2	Very low	31	Very low	161 Å²	161	131.2 Å²	131.2	86%	0.861	80%	0.803	S	S	*	*			trans	-162.5	131.4	153.8	-106.2	-27.8	0	0	0	111.2
33	Q	30.5	Very low	31	Very low	169 Å²	169	131.6 Å²	131.6	79%	0.79	80%	0.801	S	S	*	*			trans	-84.3	164	167.5	-63.4	-174.4	-12.3	0	0	110.5
34	P	32.9	Very low	31.2	Very low	117 Å²	117	135 Å²	135	76%	0.76	80%	0.801	S	S	*	*				-143.1	143.3	96.7	36	-21.7	0	0	0	116.4
35	K	29.5	Very low	31.4	Very low	184 Å²	184	132.4 Å²	132.4	80%	0.8	79%	0.793	S	S	*	*			trans	47.5	86.1	139.5	-61.9	-179	178.2	178.6	0	119.1
36	N	30	Very low	31.8	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	80%	0.795	S	S	*	*				13.9	113	125.7	-164.5	23.4	0	0	0	118
37	V	33.3	Very low	32.2	Very low	135 Å²	135	130 Å²	130	82%	0.818	79%	0.787	S	S	*	*			trans	-132.9	142.1	161.6	179.6	0	0	0	0	107.9
38	N	34.6	Very low	33	Very low	148 Å²	148	133.7 Å²	133.7	79%	0.791	80%	0.795	S	S	*	*			trans	-60.6	133.5	-163.8	-66.2	-32.6	0	0	0	114.8	A40	N38-A40 PolarHBondContact O-N 3.34Å
39	A	31.7	Very low	34	Very low	108 Å²	108	135.9 Å²	135.9	89%	0.893	79%	0.792	S	S	*	*			trans	-76.5	106.3	168.6	0	0	0	0	0	110.8
40	A	35.4	Very low	35.3	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	80%	0.795	S	S	*	*			trans	-88.2	124.2	162.9	0	0	0	0	0	109.1	N38 G42	N38-A40 PolarHBondContact O-N 3.34Å; A40-G42 VanDerWaalsContact C-N 3.33Å; A40-G42 PolarHBondContact O-N 3.29Å
41	S	35.9	Very low	36.6	Very low	110 Å²	110	138.2 Å²	138.2	77%	0.769	79%	0.785	S	S	*	*			trans	-74.8	84	-179.5	55.9	0	0	0	0	111.4	T43	S41-T43 PolarHBondContact O-N 2.62Å
42	G	33.8	Very low	38	Very low	60 Å²	60	136.9 Å²	136.9	62%	0.619	79%	0.786	S	S	*	*			trans	-68.1	77.6	169	0	0	0	0	0	111.4	A40 W44	A40-G42 VanDerWaalsContact C-N 3.33Å; A40-G42 PolarHBondContact O-N 3.29Å; G42-W44 PolarHBondContact O-N 2.74Å
43	T	33.2	Very low	39.4	Very low	123 Å²	123	138.5 Å²	138.5	76%	0.755	79%	0.785	S	S	*	*			trans	-63	105.3	176.8	-54.7	0	0	0	0	109.7	S41 G45	S41-T43 PolarHBondContact O-N 2.62Å; T43-G45 VanDerWaalsContact C-N 3.26Å; T43-G45 PolarHBondContact O-N 1.78Å
44	W	32.7	Very low	41.1	Very low	244 Å²	244	134.9 Å²	134.9	92%	0.924	78%	0.784	S	S	*	*			trans	-67.1	88.4	170.3	-77.2	82.4	0	0	0	109.2	G42 F46	G42-W44 PolarHBondContact O-N 2.74Å; W44-F46 PolarHBondContact O-N 2.99Å
45	G	35.3	Very low	42.9	Very low	65 Å²	65	138.9 Å²	138.9	67%	0.67	79%	0.79	S	S	*	*			trans	-61.1	121.9	176.1	0	0	0	0	0	110	T43 G47	T43-G45 VanDerWaalsContact C-N 3.26Å; T43-G45 PolarHBondContact O-N 1.78Å; G45-G47 PolarHBondContact O-N 3.48Å
46	F	39.7	Very low	45	Very low	208 Å²	208	136.9 Å²	136.9	91%	0.912	78%	0.783	S	S	*	*			trans	-67.6	75.5	164.5	-85.1	-95	0	0	0	109.1	W44 N48	W44-F46 PolarHBondContact O-N 2.99Å; F46-N48 PolarHBondContact O-N 2.78Å; F46-N48 VanDerWaalsContact O-N 3.16Å
47	G	35.5	Very low	47.3	Very low	62 Å²	62	137.3 Å²	137.3	64%	0.639	78%	0.778	S	S	*	*			trans	-58	117.4	168.7	0	0	0	0	0	108.1	G45 Q49	G45-G47 PolarHBondContact O-N 3.48Å; G47-Q49 PolarHBondContact O-N 2.84Å
48	N	46.3	Very low	49.2	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	77%	0.77	S	S	*	*			trans	-75.7	68.7	-169.1	-164	6.5	0	0	0	111.3	F46 K50	F46-N48 PolarHBondContact O-N 2.78Å; F46-N48 VanDerWaalsContact O-N 3.16Å; N48-K50 PolarHBondContact O-N 3.34Å
49	Q	49.3	Very low	50.9	Low	164 Å²	164	138.5 Å²	138.5	77%	0.766	77%	0.768	S	S	*	*			trans	-62.9	107	173.7	-76.6	-168.3	-10.7	0	0	108.8	G47 T51	G47-Q49 PolarHBondContact O-N 2.84Å; Q49-T51 VanDerWaalsContact C-N 3.3Å; Q49-T51 PolarHBondContact O-N 2.96Å
50	K	53.3	Low	52.7	Low	183 Å²	183	136.9 Å²	136.9	80%	0.796	75%	0.748	S	S	*	*			trans	-63	93.1	166.5	-71.3	-178.6	176.3	179.7	0	108.7	N48 S52	N48-K50 PolarHBondContact O-N 3.34Å; K50-S52 PolarHBondContact O-N 3.4Å
51	T	55.4	Low	54.4	Low	126 Å²	126	138.5 Å²	138.5	77%	0.773	75%	0.753	S	S	*	*			trans	-73.6	50.5	170.5	45.2	0	0	0	0	111	Q49 K53	Q49-T51 VanDerWaalsContact C-N 3.3Å; Q49-T51 PolarHBondContact O-N 2.96Å; T51-K53 PolarHBondContact O-N 2.86Å
52	S	57.3	Low	55.9	Low	105 Å²	105	141.2 Å²	141.2	73%	0.734	75%	0.751	S	S	*	*			trans	-77	63.1	179.3	60.4	0	0	0	0	111.3	K50	K50-S52 PolarHBondContact O-N 3.4Å
53	K	62	Low	57.5	Low	195 Å²	195	142.4 Å²	142.4	85%	0.848	75%	0.748	S	S	*	*			trans	-159.5	90.6	162.5	-106.3	168.6	-174.7	-179.5	0	107.7	T51	T51-K53 PolarHBondContact O-N 2.86Å
54	A	66.2	Low	59.6	Low	93 Å²	93	144.7 Å²	144.7	77%	0.769	75%	0.754	S	S	*	*			trans	-58.9	139.3	157.9	0	0	0	0	0	107.9	E56	A54-E56 VanDerWaalsContact C-N 3.29Å; A54-E56 PolarHBondContact O-N 3.38Å
55	F	70.1	Confident	61.9	Low	201 Å²	201	138.3 Å²	138.3	88%	0.882	73%	0.73	S	S	*	*			trans	-78.2	83.5	179.9	-164.4	-84.9	0	0	0	109.4	F57	F55-F57 PolarHBondContact O-N 2.92Å
56	E	74.8	Confident	64.2	Low	141 Å²	141	142.7 Å²	142.7	66%	0.659	73%	0.733	S	S	*	*			trans	-78.7	112.2	-178.6	-164.2	172.6	163.5	0	0	110.5	A54 H58	A54-E56 VanDerWaalsContact C-N 3.29Å; A54-E56 PolarHBondContact O-N 3.38Å; E56-H58 VanDerWaalsContact C-N 3.35Å; E56-H58 PolarHBondContact O-N 3Å; E56-H58 IonicContact OE1-CE1 3.34Å; E56-H58 PolarHBondContact OE1-CE1 2.83Å; E56-H58 IonicContact OE1-ND1 3.9Å; E56-H58 IonicContact OE2-CE1 3.82Å
57	F	76.9	Confident	66.5	Low	160 Å²	160	136.8 Å²	136.8	70%	0.702	71%	0.714	S	S	*	*			trans	-75.9	86.2	178.4	178	-105.2	0	0	0	110.7	F55 K59	F55-F57 PolarHBondContact O-N 2.92Å; F57-K59 HydrophobicContact CD1-CB 4.47Å; F57-K59 HydrophobicContact CE1-CB 3.83Å; F57-K59 HydrophobicContact CE1-CG 4.39Å; F57-K59 HydrophobicContact CZ-CB 4.36Å; F57-K59 PolarHBondContact O-N 2.88Å
58	H	74.6	Confident	69.1	Low	138 Å²	138	135.8 Å²	135.8	64%	0.639	70%	0.696	S	S	*	*			trans	-71.5	95.6	167.4	-57.6	-60.7	0	0	0	109.6	E56	E56-H58 VanDerWaalsContact C-N 3.35Å; E56-H58 PolarHBondContact O-N 3Å; E56-H58 IonicContact OE1-CE1 3.34Å; E56-H58 PolarHBondContact OE1-CE1 2.83Å; E56-H58 IonicContact OE1-ND1 3.9Å; E56-H58 IonicContact OE2-CE1 3.82Å
59	K	69.2	Low	71.4	Confident	171 Å²	171	133.7 Å²	133.7	74%	0.743	69%	0.691	S	S	*	*			trans	-54.9	127	170.1	-176.3	-175.3	176	-176.6	0	108.9	F57 S61	F57-K59 HydrophobicContact CD1-CB 4.47Å; F57-K59 HydrophobicContact CE1-CB 3.83Å; F57-K59 HydrophobicContact CE1-CG 4.39Å; F57-K59 HydrophobicContact CZ-CB 4.36Å; F57-K59 PolarHBondContact O-N 2.88Å; K59-S61 PolarHBondContact O-N 3.37Å
60	P	69.8	Low	73.5	Confident	74 Å²	74	130.1 Å²	130.1	48%	0.481	67%	0.674	S	S	.	*			trans	-60.6	137.7	178.6	25.1	-34.1	0	0	0	110.6	K62	P60-K62 PolarHBondContact O-N 2.43Å
61	S	70.6	Confident	75.6	Confident	130 Å²	130	126 Å²	126	91%	0.909	66%	0.656	S	S	*	*	S	Bend	trans	-72.2	-13.4	-173	53.3	0	0	0	0	114.2	K59	K59-S61 PolarHBondContact O-N 3.37Å
62	K	67.2	Low	77.6	Confident	166 Å²	166	123 Å²	123	72%	0.722	64%	0.638	S	S	*	*	S	Bend	trans	-132.8	147.9	168.7	-65	-173.7	178.1	-174.5	0	109	P60	P60-K62 PolarHBondContact O-N 2.43Å
63	P	68.3	Low	79.6	Confident	86 Å²	86	118.9 Å²	118.9	56%	0.558	61%	0.607	S	S	*	*			trans	-63.8	147.5	170.2	30.1	-35.2	0	0	0	110.4	E66	P63-E66 HydrophobicContact CG-CG 4.05Å
64	I	76.2	Confident	81.2	Confident	171 Å²	171	114.5 Å²	114.5	88%	0.877	59%	0.59	S	S	*	*	S	Bend	trans	-74.4	-31.1	179.1	-62.3	172.1	0	0	0	110.9
65	R	81.3	Confident	82.6	Confident	110 Å²	110	116.5 Å²	116.5	42%	0.415	58%	0.583	S	S	.	*	S	Bend	trans	-142.5	137.1	174.8	-175.8	170.4	172.3	-173.3	-12.5	107.3	D226 Y232	R65-D226 IonicContact CZ-OD1 2.69Å; R65-D226 IonicContact NH1-OD1 2.58Å; R65-D226 PolarHBondContact NH1-OD1 2.88Å; R65-D226 IonicContact NH2-OD1 2.68Å; R65-D226 PolarHBondContact NH2-OD1 2.87Å; R65-Y232 HydrophobicContact CB-CD1 4.01Å; R65-Y232 HydrophobicContact CB-CE1 4.1Å; R65-Y232 HydrophobicContact CG-CD1 3.77Å; R65-Y232 HydrophobicContact CG-CE1 4.38Å; R65-Y232 HydrophobicContact CG-CG 4.03Å; R65-Y232 VanDerWaalsContact CZ-CB 3.45Å; R65-Y232 PolarHBondContact NH2-O 3.18Å; R65-Y232 WeakPolarHBondContact O-CE1 3.45Å
66	E	84.9	Confident	83.9	Confident	156 Å²	156	112.5 Å²	112.5	73%	0.729	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-84.2	148.9	174.4	-63.1	-167.9	161.5	0	0	110.2	P63 P68	P63-E66 HydrophobicContact CG-CG 4.05Å; E66-P68 WeakPolarHBondContact O-CD 3.4Å
67	V	87.6	Confident	85	Confident	84 Å²	84	106.5 Å²	106.5	51%	0.509	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-76	123.7	174.6	174.2	0	0	0	0	107.8	T231 Y232	V67-T231 HydrophobicContact CG2-CG2 4.15Å; V67-Y232 HydrophobicContact CG2-CD1 4Å; V67-Y232 HydrophobicContact CG2-CE1 4.04Å
68	P	90.5	Very high	86	Confident	41 Å²	41	102.9 Å²	102.9	27%	0.266	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-57.8	138.4	178.2	-25.1	34.8	0	0	0	111.6	E66	E66-P68 WeakPolarHBondContact O-CD 3.4Å
69	P	93	Very high	87.1	Confident	113 Å²	113	99.4 Å²	99.4	73%	0.734	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-63.7	146.7	173.3	27.8	-34.2	0	0	0	110.6	K71	P69-K71 PolarHBondContact O-N 2.97Å
70	E	95.3	Very high	88.5	Confident	89 Å²	89	96.4 Å²	96.4	42%	0.416	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-65.7	118.1	171.3	-179.5	173.9	-84.9	0	0	109.3	R237	E70-R237 HydrophobicContact CG-CB 4.07Å; E70-R237 WeakPolarHBondContact OE2-CB 3.47Å; E70-R237 WeakPolarHBondContact OE2-CD 3.34Å; E70-R237 IonicContact OE2-CZ 3.15Å; E70-R237 IonicContact OE2-NE 3.87Å; E70-R237 IonicContact OE2-NH1 2.82Å; E70-R237 PolarHBondContact OE2-NH1 3.12Å
71	K	97	Very high	89.8	Confident	95 Å²	95	93.4 Å²	93.4	41%	0.413	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.1	169	-60.6	174.5	-172.3	173.7	0	107.9	P69 E234 R235 I236 R237	P69-K71 PolarHBondContact O-N 2.97Å; K71-E234 IonicContact NZ-OE2 3.4Å; K71-E234 PolarHBondContact NZ-OE2 3Å; K71-R235 PolarHBondContact N-O 3.2Å; K71-I236 HydrophobicContact CB-CG1 4.05Å; K71-I236 HydrophobicContact CD-CG1 4.21Å; K71-I236 CarbonylContact O-C 3.59Å; K71-I236 VanDerWaalsContact O-CA 3.24Å; K71-I236 WeakPolarHBondContact O-CA 3.48Å; K71-R237 PolarHBondContact O-N 2.76Å
72	V	97.8	Very high	90.9	Very high	65 Å²	65	87.6 Å²	87.6	39%	0.394	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133	175.8	-166.3	0	0	0	0	108.9	E74 R237	V72-E74 HydrophobicContact CG1-CG 3.64Å; V72-E74 WeakPolarHBondContact CG1-OE1 3.36Å; V72-R237 WeakPolarHBondContact CA-O 3.41Å; V72-R237 WeakPolarHBondContact CG1-O 3.17Å
73	I	97.8	Very high	92.2	Very high	18 Å²	18	85.5 Å²	85.5	9%	0.092	44%	0.44	C	S	.	.			trans	-122.7	112.8	-179.6	-54.1	178.5	0	0	0	108.2	Y79 L93 I236 R237 I238 P239	I73-Y79 HydrophobicContact CD1-CD1 4.28Å; I73-Y79 HydrophobicContact CD1-CD2 4.42Å; I73-Y79 HydrophobicContact CD1-CG 4.09Å; I73-Y79 HydrophobicContact CG2-CD1 4.39Å; I73-Y79 HydrophobicContact CG2-CD2 3.81Å; I73-Y79 HydrophobicContact CG2-CE1 4.02Å; I73-Y79 HydrophobicContact CG2-CE2 3.37Å; I73-Y79 HydrophobicContact CG2-CG 4.31Å; I73-Y79 VanDerWaalsContact CG2-CZ 3.49Å; I73-L93 HydrophobicContact CG2-CD2 3.92Å; I73-I236 HydrophobicContact CD1-CG2 3.74Å; I73-I236 HydrophobicContact CG1-CG2 4Å; I73-R237 PolarHBondContact N-O 3.22Å; I73-I238 HydrophobicContact CB-CD1 4.4Å; I73-I238 HydrophobicContact CB-CG1 4.21Å; I73-P239 WeakPolarHBondContact O-CD 3.46Å
74	E	95.4	Very high	92.9	Very high	102 Å²	102	82.5 Å²	82.5	48%	0.477	43%	0.425	S	S	.	.			trans	-130	2.8	-173.4	-44.9	-168.6	141.5	0	0	112.7	V72 R237 P239	V72-E74 HydrophobicContact CG1-CG 3.64Å; V72-E74 WeakPolarHBondContact CG1-OE1 3.36Å; E74-R237 IonicContact OE1-NH2 3.04Å; E74-P239 HydrophobicContact CB-CG 4.26Å; E74-P239 HydrophobicContact CG-CG 3.77Å
75	H	96.9	Very high	93.3	Very high	135 Å²	135	80.5 Å²	80.5	63%	0.625	42%	0.423	S	S	*	.	S	Bend	trans	-118.5	160.2	-170.8	-60.1	-21.9	0	0	0	111.6	G77 Y79 L93	H75-G77 PolarHBondContact O-N 3.26Å; H75-Y79 PolarHBondContact O-OH 2.61Å; H75-L93 WeakPolarHBondContact O-CD2 3.41Å
76	L	97.8	Very high	93.5	Very high	117 Å²	117	77.2 Å²	77.2	61%	0.613	42%	0.417	S	S	*	.	S	Bend	trans	-65.1	127.8	172	-173.4	146.7	0	0	0	109.5
77	G	97.7	Very high	93.9	Very high	16 Å²	16	71.2 Å²	71.2	17%	0.165	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	169.8	179.5	0	0	0	0	0	113.6	H75 Y79 L93 R94	H75-G77 PolarHBondContact O-N 3.26Å; G77-Y79 VanDerWaalsContact C-CE2 3.43Å; G77-Y79 WeakPolarHBondContact O-CD2 3.47Å; G77-Y79 WeakPolarHBondContact O-CE2 3.46Å; G77-L93 PolarHBondContact N-O 2.69Å; G77-L93 PolarHBondContact O-N 3.4Å; G77-R94 PolarHBondContact O-NH1 3.09Å; G77-R94 VanDerWaalsContact O-NH1 3.09Å
78	D	97.9	Very high	94.3	Very high	83 Å²	83	69.4 Å²	69.4	44%	0.444	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.8	174.4	-63.5	-24.7	0	0	0	107.9	W90 R92 R94	D78-W90 HydrophobicContact CB-CZ3 4.48Å; D78-R92 HydrophobicContact CB-CG 4.22Å; D78-R92 WeakPolarHBondContact OD1-CB 3.33Å; D78-R92 WeakPolarHBondContact OD1-CD 3.37Å; D78-R92 WeakPolarHBondContact OD1-CG 3.27Å; D78-R94 VanDerWaalsContact CG-NH2 3.29Å; D78-R94 IonicContact OD1-CZ 3.48Å; D78-R94 IonicContact OD1-NH1 3.73Å; D78-R94 PolarHBondContact OD1-NH1 3.19Å; D78-R94 IonicContact OD1-NH2 3.36Å; D78-R94 PolarHBondContact OD1-NH2 2.85Å; D78-R94 IonicContact OD2-NH2 2.61Å; D78-R94 PolarHBondContact OD2-NH2 2.73Å
79	Y	98.1	Very high	94.6	Very high	66 Å²	66	67.4 Å²	67.4	26%	0.259	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.3	-163.9	-61	-84.2	0	0	0	110.5	I73 H75 G77 I81 W90 L91 L93	I73-Y79 HydrophobicContact CD1-CD1 4.28Å; I73-Y79 HydrophobicContact CD1-CD2 4.42Å; I73-Y79 HydrophobicContact CD1-CG 4.09Å; I73-Y79 HydrophobicContact CG2-CD1 4.39Å; I73-Y79 HydrophobicContact CG2-CD2 3.81Å; I73-Y79 HydrophobicContact CG2-CE1 4.02Å; I73-Y79 HydrophobicContact CG2-CE2 3.37Å; I73-Y79 HydrophobicContact CG2-CG 4.31Å; I73-Y79 VanDerWaalsContact CG2-CZ 3.49Å; H75-Y79 PolarHBondContact O-OH 2.61Å; G77-Y79 VanDerWaalsContact C-CE2 3.43Å; G77-Y79 WeakPolarHBondContact O-CD2 3.47Å; G77-Y79 WeakPolarHBondContact O-CE2 3.46Å; Y79-I81 PolarHBondContact O-N 3.18Å; Y79-W90 VanDerWaalsContact C-CE3 3.48Å; Y79-W90 WeakPolarHBondContact O-CA 2.88Å; Y79-L91 PolarHBondContact N-O 2.02Å; Y79-L91 PolarHBondContact O-N 3.23Å; Y79-L93 HydrophobicContact CE2-CB 4.28Å
80	E	97.6	Very high	94.8	Very high	108 Å²	108	66.6 Å²	66.6	51%	0.505	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	108.8	160.1	178.1	171.8	142.2	0	0	107.7	V88 W90	E80-V88 HydrophobicContact CB-CG1 4.41Å; E80-V88 HydrophobicContact CG-CG1 3.57Å; E80-W90 HydrophobicContact CB-CE3 4.31Å; E80-W90 HydrophobicContact CB-CH2 3.89Å; E80-W90 HydrophobicContact CB-CZ2 4.12Å; E80-W90 HydrophobicContact CB-CZ3 4Å
81	I	96.5	Very high	95	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-26.5	-178.1	63.2	165.8	0	0	0	112.4	Y79 S89 L91 L218 I236 T252 W256	Y79-I81 PolarHBondContact O-N 3.18Å; I81-S89 VanDerWaalsContact CG1-CB 3.48Å; I81-S89 WeakPolarHBondContact CG1-O 3.37Å; I81-S89 PolarHBondContact N-O 3.39Å; I81-L91 HydrophobicContact CD1-CD1 4.09Å; I81-L91 HydrophobicContact CD1-CD2 4.34Å; I81-L91 HydrophobicContact CD1-CG 3.94Å; I81-L91 HydrophobicContact CG1-CG 4.42Å; I81-L91 HydrophobicContact CG2-CB 4.29Å; I81-L91 HydrophobicContact CG2-CD1 3.73Å; I81-L91 HydrophobicContact CG2-CG 3.77Å; I81-L218 HydrophobicContact CD1-CD2 4.39Å; I81-I236 HydrophobicContact CB-CD1 3.63Å; I81-I236 HydrophobicContact CD1-CD1 4.15Å; I81-I236 HydrophobicContact CG1-CD1 4.48Å; I81-I236 HydrophobicContact CG2-CD1 3.58Å; I81-T252 HydrophobicContact CD1-CG2 4.34Å; I81-W256 HydrophobicContact CB-CZ2 4.22Å; I81-W256 HydrophobicContact CD1-CD2 3.74Å; I81-W256 HydrophobicContact CD1-CE3 4.39Å; I81-W256 HydrophobicContact CD1-CG 3.92Å; I81-W256 HydrophobicContact CD1-CZ2 4.06Å; I81-W256 HydrophobicContact CG1-CZ2 4.18Å
82	S	94.9	Very high	95.1	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.063	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	142.3	166.6	57.2	0	0	0	0	113	S89 W256	S82-S89 PolarHBondContact O-N 3.37Å; S82-W256 PolarHBondContact OG-NE1 3.14Å
83	L	93.1	Very high	95.1	Very high	122 Å²	122	57.1 Å²	57.1	64%	0.639	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	136.8	154.9	177.4	62.1	0	0	0	109.8	V88	L83-V88 HydrophobicContact CD1-CG2 3.94Å
84	G	84.4	Confident	95.1	Very high	23 Å²	23	59.1 Å²	59.1	24%	0.237	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	178.8	-178.7	0	0	0	0	0	112.6	S86 G87	G84-S86 PolarHBondContact O-N 2.9Å; G84-G87 PolarHBondContact N-O 3.39Å; G84-G87 PolarHBondContact O-N 3.34Å
85	P	83.2	Confident	95.2	Very high	128 Å²	128	56.5 Å²	56.5	83%	0.831	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.2	177.9	29.6	-35.6	0	0	0	112.7	G87	P85-G87 VanDerWaalsContact C-N 3.27Å
86	S	86.2	Confident	95.1	Very high	42 Å²	42	52.9 Å²	52.9	29%	0.294	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.9	174.3	-44.5	0	0	0	0	112.9	G84 D255	G84-S86 PolarHBondContact O-N 2.9Å; S86-D255 WeakPolarHBondContact CB-OD1 3.34Å; S86-D255 PolarHBondContact OG-OD1 2.69Å
87	G	92.6	Very high	95.1	Very high	29 Å²	29	49.7 Å²	49.7	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.4	-153.4	-175.8	0	0	0	0	0	113	G84 P85	G84-G87 PolarHBondContact N-O 3.39Å; G84-G87 PolarHBondContact O-N 3.34Å; P85-G87 VanDerWaalsContact C-N 3.27Å
88	V	96.1	Very high	95.1	Very high	46 Å²	46	49.7 Å²	49.7	28%	0.279	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.9	176.5	-165.9	0	0	0	0	109.8	E80 L83 W90 G250 A251	E80-V88 HydrophobicContact CB-CG1 4.41Å; E80-V88 HydrophobicContact CG-CG1 3.57Å; L83-V88 HydrophobicContact CD1-CG2 3.94Å; V88-W90 HydrophobicContact CG1-CD2 4.46Å; V88-W90 HydrophobicContact CG1-CG 4.4Å; V88-W90 HydrophobicContact CG1-CZ2 4.27Å; V88-G250 WeakPolarHBondContact O-CA 3.49Å; V88-A251 PolarHBondContact O-N 2.99Å
89	S	97.8	Very high	95.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.1	170.2	-64.4	0	0	0	0	110	I81 S82 A251 T252	I81-S89 VanDerWaalsContact CG1-CB 3.48Å; I81-S89 WeakPolarHBondContact CG1-O 3.37Å; I81-S89 PolarHBondContact N-O 3.39Å; S82-S89 PolarHBondContact O-N 3.37Å; S89-A251 VanDerWaalsContact OG-C 3.31Å; S89-A251 PolarHBondContact OG-O 2.89Å; S89-T252 PolarHBondContact OG-N 2.9Å
90	W	97.8	Very high	95	Very high	96 Å²	96	49.6 Å²	49.6	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.9	-178	-76.9	98.7	0	0	0	112.4	D78 Y79 E80 V88 E249 T252	D78-W90 HydrophobicContact CB-CZ3 4.48Å; Y79-W90 VanDerWaalsContact C-CE3 3.48Å; Y79-W90 WeakPolarHBondContact O-CA 2.88Å; E80-W90 HydrophobicContact CB-CE3 4.31Å; E80-W90 HydrophobicContact CB-CH2 3.89Å; E80-W90 HydrophobicContact CB-CZ2 4.12Å; E80-W90 HydrophobicContact CB-CZ3 4Å; V88-W90 HydrophobicContact CG1-CD2 4.46Å; V88-W90 HydrophobicContact CG1-CG 4.4Å; V88-W90 HydrophobicContact CG1-CZ2 4.27Å; W90-E249 HydrophobicContact CB-CB 4.07Å; W90-E249 PolarHBondContact N-O 3.01Å; W90-E249 VanDerWaalsContact N-O 3.08Å; W90-E249 PolarHBondContact O-N 3.23Å; W90-T252 PolarHBondContact N-OG1 2.61Å; W90-T252 PolarHBondContact O-OG1 3.4Å
91	L	98.4	Very high	95	Very high	1 Å²	1	51 Å²	51	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.1	164.4	-59.1	-176.3	0	0	0	110.1	Y79 I81 L218 I238 L246 L247 M248 T252	Y79-L91 PolarHBondContact N-O 2.02Å; Y79-L91 PolarHBondContact O-N 3.23Å; I81-L91 HydrophobicContact CD1-CD1 4.09Å; I81-L91 HydrophobicContact CD1-CD2 4.34Å; I81-L91 HydrophobicContact CD1-CG 3.94Å; I81-L91 HydrophobicContact CG1-CG 4.42Å; I81-L91 HydrophobicContact CG2-CB 4.29Å; I81-L91 HydrophobicContact CG2-CD1 3.73Å; I81-L91 HydrophobicContact CG2-CG 3.77Å; L91-L218 HydrophobicContact CD1-CD1 4.04Å; L91-L218 HydrophobicContact CD1-CD2 4.09Å; L91-L218 HydrophobicContact CD2-CD2 4.22Å; L91-I238 HydrophobicContact CD1-CD1 3.68Å; L91-L246 HydrophobicContact CB-CD1 4.17Å; L91-L246 HydrophobicContact CD2-CD1 4.43Å; L91-L247 VanDerWaalsContact CA-O 3.31Å; L91-L247 WeakPolarHBondContact CA-O 3.47Å; L91-M248 HydrophobicContact CD2-CB 4.19Å; L91-M248 HydrophobicContact CD2-CG 3.75Å; L91-T252 HydrophobicContact CD2-CG2 4.01Å
92	R	98.2	Very high	95	Very high	46 Å²	46	54.7 Å²	54.7	17%	0.174	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.9	170.9	-59.7	-163	-89.2	158.6	-9.5	109.4	D78 S170 L246 L247 E249	D78-R92 HydrophobicContact CB-CG 4.22Å; D78-R92 WeakPolarHBondContact OD1-CB 3.33Å; D78-R92 WeakPolarHBondContact OD1-CD 3.37Å; D78-R92 WeakPolarHBondContact OD1-CG 3.27Å; R92-S170 PolarHBondContact NH1-O 2.82Å; R92-S170 PolarHBondContact NH2-O 2.8Å; R92-L246 CarbonylContact O-C 3.57Å; R92-L246 WeakPolarHBondContact O-CA 3.38Å; R92-L247 HydrophobicContact CB-CB 4.16Å; R92-L247 HydrophobicContact CB-CD1 3.86Å; R92-L247 PolarHBondContact N-O 3.29Å; R92-L247 PolarHBondContact O-N 3.05Å; R92-E249 IonicContact CZ-OE1 3.25Å; R92-E249 IonicContact CZ-OE2 2.77Å; R92-E249 IonicContact NE-OE1 2.79Å; R92-E249 IonicContact NE-OE2 2.74Å; R92-E249 PolarHBondContact NE-OE2 2.92Å; R92-E249 IonicContact NH2-OE1 2.82Å; R92-E249 PolarHBondContact NH2-OE1 3.33Å; R92-E249 IonicContact NH2-OE2 3.68Å; R92-E249 PolarHBondContact NH2-OE2 2.79Å
93	L	98.6	Very high	95.2	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.8	-179.8	-170.2	62.2	0	0	0	110.6	I73 H75 G77 Y79 P95 I238 L240 T244 L246	I73-L93 HydrophobicContact CG2-CD2 3.92Å; H75-L93 WeakPolarHBondContact O-CD2 3.41Å; G77-L93 PolarHBondContact N-O 2.69Å; G77-L93 PolarHBondContact O-N 3.4Å; Y79-L93 HydrophobicContact CE2-CB 4.28Å; L93-P95 HydrophobicContact CD2-CG 4.45Å; L93-P95 HydrophobicContact CG-CG 4.19Å; L93-I238 HydrophobicContact CD1-CG2 4.03Å; L93-I238 HydrophobicContact CD2-CG2 3.92Å; L93-L240 HydrophobicContact CD1-CD2 4.05Å; L93-T244 HydrophobicContact CD1-CG2 3.62Å; L93-L246 HydrophobicContact CD1-CB 4.09Å; L93-L246 HydrophobicContact CD1-CD1 4.17Å
94	R	98.1	Very high	95.4	Very high	60 Å²	60	52.8 Å²	52.8	23%	0.226	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	83.5	178.2	-59.2	-63.7	179.9	-86.1	-0.2	109.5	G77 D78 F97 L245	G77-R94 PolarHBondContact O-NH1 3.09Å; G77-R94 VanDerWaalsContact O-NH1 3.09Å; D78-R94 VanDerWaalsContact CG-NH2 3.29Å; D78-R94 IonicContact OD1-CZ 3.48Å; D78-R94 IonicContact OD1-NH1 3.73Å; D78-R94 PolarHBondContact OD1-NH1 3.19Å; D78-R94 IonicContact OD1-NH2 3.36Å; D78-R94 PolarHBondContact OD1-NH2 2.85Å; D78-R94 IonicContact OD2-NH2 2.61Å; D78-R94 PolarHBondContact OD2-NH2 2.73Å; R94-F97 HydrophobicContact CB-CB 4.28Å; R94-L245 HydrophobicContact CB-CB 4.28Å; R94-L245 PolarHBondContact N-O 2.6Å; R94-L245 PolarHBondContact O-N 3.1Å
95	P	97.1	Very high	96.1	Very high	47 Å²	47	58.4 Å²	58.4	31%	0.305	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	141.1	170	-14	30.4	0	0	0	110.1	L93 F97	L93-P95 HydrophobicContact CD2-CG 4.45Å; L93-P95 HydrophobicContact CG-CG 4.19Å; P95-F97 VanDerWaalsContact C-N 3.34Å
96	G	95.1	Very high	96.8	Very high	58 Å²	58	53.3 Å²	53.3	60%	0.598	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	36.6	-176.3	0	0	0	0	0	113.4	L98	G96-L98 VanDerWaalsContact C-N 3.27Å; G96-L98 CarbonylContact C-O 3.49Å
97	F	98	Very high	97.4	Very high	51 Å²	51	52.7 Å²	52.7	22%	0.224	28%	0.276	C	S	.	.	S	Bend	trans	-67.3	-30.3	173	166.9	-103.2	0	0	0	112	R94 P95 A165 V166 A169 L208 G243 L245	R94-F97 HydrophobicContact CB-CB 4.28Å; P95-F97 VanDerWaalsContact C-N 3.34Å; F97-A165 HydrophobicContact CZ-CB 3.97Å; F97-V166 HydrophobicContact CE1-CG2 3.76Å; F97-V166 HydrophobicContact CZ-CG2 3.86Å; F97-A169 HydrophobicContact CD2-CB 4.41Å; F97-A169 HydrophobicContact CE2-CB 3.61Å; F97-A169 HydrophobicContact CZ-CB 4.37Å; F97-L208 HydrophobicContact CD1-CD1 3.84Å; F97-L208 HydrophobicContact CE1-CD1 4.38Å; F97-L208 HydrophobicContact CE1-CD2 4.39Å; F97-G243 WeakPolarHBondContact CB-O 3.43Å; F97-G243 PolarHBondContact N-O 2.9Å; F97-L245 HydrophobicContact CB-CB 3.74Å; F97-L245 HydrophobicContact CD1-CB 3.79Å; F97-L245 HydrophobicContact CD1-CD2 4.14Å; F97-L245 HydrophobicContact CD2-CB 4.3Å; F97-L245 HydrophobicContact CD2-CD2 3.8Å; F97-L245 HydrophobicContact CE1-CD2 4.16Å; F97-L245 HydrophobicContact CE2-CD2 3.83Å; F97-L245 HydrophobicContact CG-CB 3.66Å; F97-L245 HydrophobicContact CG-CD2 3.96Å; F97-L245 HydrophobicContact CG-CG 4.46Å; F97-L245 HydrophobicContact CZ-CD2 4Å
98	L	97.8	Very high	97.6	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.084	29%	0.287	C	S	.	.	S	Bend	trans	-106.8	151.6	163.1	-59.3	174.4	0	0	0	109.4	G96 A103 M106 L162 L208 L210 G243	G96-L98 VanDerWaalsContact C-N 3.27Å; G96-L98 CarbonylContact C-O 3.49Å; L98-A103 HydrophobicContact CB-CB 4.09Å; L98-A103 HydrophobicContact CD1-CB 4.28Å; L98-M106 HydrophobicContact CD1-SD 4.01Å; L98-M106 HydrophobicContact CD2-SD 4.47Å; L98-L162 HydrophobicContact CD1-CD2 4.03Å; L98-L162 HydrophobicContact CD2-CD2 3.9Å; L98-L208 HydrophobicContact CD1-CD1 4.26Å; L98-L208 HydrophobicContact CD1-CD2 4.25Å; L98-L210 HydrophobicContact CD1-CD2 3.83Å; L98-G243 PolarHBondContact N-O 2.85Å
99	T	97.5	Very high	97.7	Very high	65 Å²	65	56.1 Å²	56.1	40%	0.399	29%	0.289	S	S	.	.			trans	-66.6	154.5	166	62.1	0	0	0	0	110.7	E101 E102 A103	T99-E101 PolarHBondContact O-N 3.41Å; T99-E102 WeakPolarHBondContact CB-OE2 3.32Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.22Å; T99-E102 PolarHBondContact N-OE2 3.07Å; T99-E102 PolarHBondContact O-N 2.84Å; T99-E102 WeakPolarHBondContact OG1-CB 3.26Å; T99-E102 WeakPolarHBondContact OG1-CG 3.25Å; T99-E102 PolarHBondContact OG1-N 2.96Å; T99-E102 PolarHBondContact OG1-OE2 3.07Å; T99-A103 VanDerWaalsContact O-CB 3.26Å; T99-A103 WeakPolarHBondContact O-CB 3.11Å; T99-A103 PolarHBondContact O-N 3.16Å
100	P	96.8	Very high	97.7	Very high	82 Å²	82	56.1 Å²	56.1	53%	0.532	29%	0.289	S	S	.	.	H	α-helix	trans	-53.9	-41.6	176.4	-26.5	35.3	0	0	0	113.1	A103 D104	P100-A103 PolarHBondContact O-N 3.34Å; P100-D104 WeakPolarHBondContact O-CB 3.46Å; P100-D104 PolarHBondContact O-N 2.89Å
101	E	97.4	Very high	97.7	Very high	137 Å²	137	54.4 Å²	54.4	64%	0.64	29%	0.286	S	S	*	.	H	α-helix	trans	-67.4	-43.1	-177.8	-63.8	78.7	-176.9	0	0	112.3	T99 W105	T99-E101 PolarHBondContact O-N 3.41Å; E101-W105 WeakPolarHBondContact O-CB 3.49Å; E101-W105 PolarHBondContact O-N 3.23Å
102	E	96.8	Very high	97.7	Very high	88 Å²	88	58.3 Å²	58.3	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-45.5	172.1	-71.3	166.1	134.7	0	0	110.9	T99 W105 M106	T99-E102 WeakPolarHBondContact CB-OE2 3.32Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.22Å; T99-E102 PolarHBondContact N-OE2 3.07Å; T99-E102 PolarHBondContact O-N 2.84Å; T99-E102 WeakPolarHBondContact OG1-CB 3.26Å; T99-E102 WeakPolarHBondContact OG1-CG 3.25Å; T99-E102 PolarHBondContact OG1-N 2.96Å; T99-E102 PolarHBondContact OG1-OE2 3.07Å; E102-W105 PolarHBondContact O-N 2.73Å; E102-M106 HydrophobicContact CB-CE 4.36Å; E102-M106 VanDerWaalsContact O-CB 3.32Å; E102-M106 WeakPolarHBondContact O-CB 3.32Å; E102-M106 VanDerWaalsContact O-CG 3.22Å; E102-M106 WeakPolarHBondContact O-CG 3.37Å; E102-M106 PolarHBondContact O-N 3.06Å
103	A	97.9	Very high	97.7	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-43.2	-177.1	0	0	0	0	0	111.9	L98 T99 P100 F107 L210 H242	L98-A103 HydrophobicContact CB-CB 4.09Å; L98-A103 HydrophobicContact CD1-CB 4.28Å; T99-A103 VanDerWaalsContact O-CB 3.26Å; T99-A103 WeakPolarHBondContact O-CB 3.11Å; T99-A103 PolarHBondContact O-N 3.16Å; P100-A103 PolarHBondContact O-N 3.34Å; A103-F107 WeakPolarHBondContact O-CB 3.32Å; A103-F107 PolarHBondContact O-N 3.08Å; A103-L210 HydrophobicContact CB-CD2 3.86Å; A103-H242 VanDerWaalsContact C-NE2 3.26Å; A103-H242 PolarHBondContact O-CE1 2.9Å
104	D	98.3	Very high	97.5	Very high	90 Å²	90	60.4 Å²	60.4	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-43.5	175.9	-83	-14.9	0	0	0	111.9	P100 S108 H242	P100-D104 WeakPolarHBondContact O-CB 3.46Å; P100-D104 PolarHBondContact O-N 2.89Å; D104-S108 WeakPolarHBondContact O-CB 3.21Å; D104-S108 PolarHBondContact O-N 3.03Å; D104-S108 PolarHBondContact O-OG 2.94Å; D104-H242 WeakPolarHBondContact CA-NE2 2.97Å; D104-H242 VanDerWaalsContact CB-NE2 3.27Å; D104-H242 WeakPolarHBondContact CB-NE2 3.45Å; D104-H242 PolarHBondContact N-CE1 3.48Å; D104-H242 PolarHBondContact N-NE2 2.98Å; D104-H242 IonicContact OD1-CD2 3.57Å; D104-H242 PolarHBondContact OD1-CD2 3.4Å; D104-H242 CovalentContact OD1-NE2 1.78Å; D104-H242 IonicContact OD1-NE2 3.48Å; D104-H242 PolarHBondContact OD1-NE2 3.48Å; D104-H242 IonicContact OD2-NE2 3.89Å
105	W	98	Very high	97.4	Very high	141 Å²	141	61.8 Å²	61.8	53%	0.534	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-47.4	178.7	178	77.8	0	0	0	112.1	E101 E102 S108 K109 L158	E101-W105 WeakPolarHBondContact O-CB 3.49Å; E101-W105 PolarHBondContact O-N 3.23Å; E102-W105 PolarHBondContact O-N 2.73Å; W105-S108 PolarHBondContact O-N 2.89Å; W105-K109 WeakPolarHBondContact O-CB 3.21Å; W105-K109 WeakPolarHBondContact O-CG 3.24Å; W105-K109 PolarHBondContact O-N 2.99Å; W105-L158 HydrophobicContact CH2-CD1 4.38Å; W105-L158 HydrophobicContact CH2-CD2 3.56Å; W105-L158 HydrophobicContact CZ3-CD1 4.22Å; W105-L158 HydrophobicContact CZ3-CD2 3.48Å; W105-L158 VanDerWaalsContact CZ3-CD2 3.48Å
106	M	97.9	Very high	97.4	Very high	20 Å²	20	61.7 Å²	61.7	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-41.6	176.2	-70.6	179	-171	0	0	111.6	L98 E102 K109 L110 L158 L162 L210	L98-M106 HydrophobicContact CD1-SD 4.01Å; L98-M106 HydrophobicContact CD2-SD 4.47Å; E102-M106 HydrophobicContact CB-CE 4.36Å; E102-M106 VanDerWaalsContact O-CB 3.32Å; E102-M106 WeakPolarHBondContact O-CB 3.32Å; E102-M106 VanDerWaalsContact O-CG 3.22Å; E102-M106 WeakPolarHBondContact O-CG 3.37Å; E102-M106 PolarHBondContact O-N 3.06Å; M106-K109 PolarHBondContact O-N 3.28Å; M106-L110 WeakPolarHBondContact O-CB 3.35Å; M106-L110 WeakPolarHBondContact O-CG 3.22Å; M106-L110 PolarHBondContact O-N 3.06Å; M106-L158 HydrophobicContact CG-CD1 4.5Å; M106-L162 HydrophobicContact CE-CD2 4.21Å; M106-L162 HydrophobicContact SD-CD1 3.92Å; M106-L162 HydrophobicContact SD-CD2 3.52Å; M106-L162 VanDerWaalsContact SD-CD2 3.52Å; M106-L162 HydrophobicContact SD-CG 3.85Å; M106-L210 HydrophobicContact CB-CD1 4.38Å
107	F	98.5	Very high	97.3	Very high	29 Å²	29	61.4 Å²	61.4	13%	0.127	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-52.3	175	176	-106.9	0	0	0	111.5	A103 K109 L110 L111 L210 H242 P269 I271	A103-F107 WeakPolarHBondContact O-CB 3.32Å; A103-F107 PolarHBondContact O-N 3.08Å; F107-K109 VanDerWaalsContact C-N 3.28Å; F107-K109 PolarHBondContact O-N 3.01Å; F107-L110 PolarHBondContact O-N 2.97Å; F107-L111 HydrophobicContact CE1-CD2 4.09Å; F107-L111 HydrophobicContact CZ-CD2 4.06Å; F107-L111 WeakPolarHBondContact O-CB 3.37Å; F107-L111 PolarHBondContact O-N 3.04Å; F107-L210 HydrophobicContact CB-CB 4.14Å; F107-L210 HydrophobicContact CD2-CB 3.81Å; F107-L210 HydrophobicContact CG-CB 4.42Å; F107-H242 WeakPolarHBondContact CB-CE1 3.44Å; F107-H242 AromaticContact CG-CE1 3.69Å; F107-P269 HydrophobicContact CZ-CB 4.13Å; F107-P269 HydrophobicContact CZ-CG 4.02Å; F107-P269 WeakPolarHBondContact CZ-O 3.38Å; F107-I271 HydrophobicContact CD2-CB 4.34Å; F107-I271 HydrophobicContact CD2-CD1 3.86Å; F107-I271 HydrophobicContact CD2-CG1 4.16Å; F107-I271 HydrophobicContact CE2-CB 4.42Å; F107-I271 HydrophobicContact CE2-CD1 4.02Å; F107-I271 HydrophobicContact CE2-CG1 4Å
108	S	98.1	Very high	97.2	Very high	74 Å²	74	62.8 Å²	62.8	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-40.7	179.7	-58.7	0	0	0	0	111.9	D104 W105 A112	D104-S108 WeakPolarHBondContact O-CB 3.21Å; D104-S108 PolarHBondContact O-N 3.03Å; D104-S108 PolarHBondContact O-OG 2.94Å; W105-S108 PolarHBondContact O-N 2.89Å; S108-A112 PolarHBondContact O-N 3.25Å
109	K	98.1	Very high	96.7	Very high	73 Å²	73	64 Å²	64	32%	0.317	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-53.8	176.9	-83.2	-75	-179.9	174.6	0	112.9	W105 M106 F107 L111 A112 E113 L158	W105-K109 WeakPolarHBondContact O-CB 3.21Å; W105-K109 WeakPolarHBondContact O-CG 3.24Å; W105-K109 PolarHBondContact O-N 2.99Å; M106-K109 PolarHBondContact O-N 3.28Å; F107-K109 VanDerWaalsContact C-N 3.28Å; F107-K109 PolarHBondContact O-N 3.01Å; K109-L111 VanDerWaalsContact C-N 3.28Å; K109-L111 PolarHBondContact O-N 3.47Å; K109-A112 PolarHBondContact O-N 2.77Å; K109-E113 WeakPolarHBondContact CD-OE1 3.09Å; K109-E113 WeakPolarHBondContact CE-OE1 2.88Å; K109-E113 IonicContact NZ-OE1 2.76Å; K109-E113 PolarHBondContact NZ-OE1 3.32Å; K109-E113 IonicContact NZ-OE2 3.69Å; K109-E113 WeakPolarHBondContact O-CB 3.47Å; K109-E113 PolarHBondContact O-N 3.38Å; K109-L158 HydrophobicContact CB-CD1 3.56Å; K109-L158 HydrophobicContact CG-CD1 4.12Å
110	L	98.1	Very high	96.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-67.4	-29.1	-177.6	-64.4	174.9	0	0	0	112.3	M106 F107 L114 W116 L158 L159 L162 L210 I271 L273	M106-L110 WeakPolarHBondContact O-CB 3.35Å; M106-L110 WeakPolarHBondContact O-CG 3.22Å; M106-L110 PolarHBondContact O-N 3.06Å; F107-L110 PolarHBondContact O-N 2.97Å; L110-L114 HydrophobicContact CB-CD1 4.03Å; L110-L114 HydrophobicContact CB-CG 4.23Å; L110-L114 HydrophobicContact CD2-CD1 3.98Å; L110-L114 HydrophobicContact CD2-CD2 4.03Å; L110-L114 HydrophobicContact CD2-CG 3.97Å; L110-L114 WeakPolarHBondContact O-CB 2.93Å; L110-L114 WeakPolarHBondContact O-CG 3.23Å; L110-L114 PolarHBondContact O-N 2.79Å; L110-W116 PolarHBondContact O-NE1 3.36Å; L110-W116 VanDerWaalsContact O-NE1 3.11Å; L110-L158 HydrophobicContact CD2-CB 4.1Å; L110-L158 HydrophobicContact CD2-CD1 4.45Å; L110-L159 HydrophobicContact CD1-CD2 3.84Å; L110-L159 HydrophobicContact CD2-CD2 3.67Å; L110-L159 HydrophobicContact CD2-CG 3.96Å; L110-L159 HydrophobicContact CG-CD2 4.43Å; L110-L162 HydrophobicContact CD1-CD1 4.11Å; L110-L210 HydrophobicContact CD1-CD1 4.04Å; L110-I271 HydrophobicContact CB-CD1 4.02Å; L110-L273 HydrophobicContact CD1-CD1 4.07Å
111	L	98.1	Very high	95.6	Very high	60 Å²	60	61.1 Å²	61.1	31%	0.314	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-40	173	-176.8	59.5	0	0	0	112	F107 K109 W116 L181 P269 I271	F107-L111 HydrophobicContact CE1-CD2 4.09Å; F107-L111 HydrophobicContact CZ-CD2 4.06Å; F107-L111 WeakPolarHBondContact O-CB 3.37Å; F107-L111 PolarHBondContact O-N 3.04Å; K109-L111 VanDerWaalsContact C-N 3.28Å; K109-L111 PolarHBondContact O-N 3.47Å; L111-W116 PolarHBondContact O-NE1 2.81Å; L111-L181 HydrophobicContact CD1-CD1 3.83Å; L111-L181 HydrophobicContact CD1-CD2 3.62Å; L111-L181 HydrophobicContact CD1-CG 4.41Å; L111-P269 HydrophobicContact CD2-CG 4.46Å; L111-I271 HydrophobicContact CB-CD1 3.99Å
112	A	97.8	Very high	94.7	Very high	83 Å²	83	62.2 Å²	62.2	69%	0.686	32%	0.321	S	S	*	.	H	α-helix	trans	-87.5	-31.6	-176.6	0	0	0	0	0	114.5	S108 K109	S108-A112 PolarHBondContact O-N 3.25Å; K109-A112 PolarHBondContact O-N 2.77Å
113	E	97.1	Very high	93.8	Very high	84 Å²	84	66.6 Å²	66.6	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-108.4	-10.9	-166	-64.4	176.6	-174.9	0	0	114.8	K109 H156	K109-E113 WeakPolarHBondContact CD-OE1 3.09Å; K109-E113 WeakPolarHBondContact CE-OE1 2.88Å; K109-E113 IonicContact NZ-OE1 2.76Å; K109-E113 PolarHBondContact NZ-OE1 3.32Å; K109-E113 IonicContact NZ-OE2 3.69Å; K109-E113 WeakPolarHBondContact O-CB 3.47Å; K109-E113 PolarHBondContact O-N 3.38Å; E113-H156 WeakPolarHBondContact CB-NE2 3.33Å; E113-H156 IonicContact OE2-CE1 3.54Å; E113-H156 IonicContact OE2-NE2 1.78Å; E113-H156 PolarHBondContact OE2-NE2 2.87Å
114	L	96.1	Very high	92.8	Very high	10 Å²	10	75 Å²	75	5%	0.052	38%	0.378	C	S	.	.	S	Bend	trans	-84.1	145.2	175.3	-65.1	-173.7	0	0	0	112.6	L110 W116 F137 H156 L159 C179	L110-L114 HydrophobicContact CB-CD1 4.03Å; L110-L114 HydrophobicContact CB-CG 4.23Å; L110-L114 HydrophobicContact CD2-CD1 3.98Å; L110-L114 HydrophobicContact CD2-CD2 4.03Å; L110-L114 HydrophobicContact CD2-CG 3.97Å; L110-L114 WeakPolarHBondContact O-CB 2.93Å; L110-L114 WeakPolarHBondContact O-CG 3.23Å; L110-L114 PolarHBondContact O-N 2.79Å; L114-W116 VanDerWaalsContact C-N 3.26Å; L114-W116 HydrophobicContact CB-CD2 4.36Å; L114-W116 HydrophobicContact CB-CZ2 4.03Å; L114-W116 HydrophobicContact CD1-CH2 3.95Å; L114-W116 HydrophobicContact CD1-CZ2 3.67Å; L114-W116 HydrophobicContact CG-CZ2 4.37Å; L114-W116 PolarHBondContact O-N 3.46Å; L114-F137 HydrophobicContact CD2-CE2 4.14Å; L114-F137 HydrophobicContact CD2-CZ 3.95Å; L114-H156 HydrophobicContact CD2-CB 3.88Å; L114-L159 HydrophobicContact CD1-CD1 4.21Å; L114-L159 HydrophobicContact CD2-CD1 3.76Å; L114-L159 HydrophobicContact CD2-CG 4.46Å; L114-C179 HydrophobicContact CD1-CB 4.43Å
115	P	95.2	Very high	91.9	Very high	88 Å²	88	74 Å²	74	57%	0.571	39%	0.389	S	S	*	.			trans	-79.2	69	-178.3	33.7	-36.3	0	0	0	111.7	S117 C135 F137	P115-S117 PolarHBondContact O-N 3.17Å; P115-C135 HydrophobicContact CG-CB 4.22Å; P115-C135 WeakPolarHBondContact O-CB 3.25Å; P115-F137 HydrophobicContact CG-CZ 4.42Å
116	W	96.2	Very high	91.3	Very high	46 Å²	46	74.6 Å²	74.6	17%	0.174	40%	0.397	C	S	.	.			trans	-62.4	125.6	-178.4	-62.8	112.3	0	0	0	112.7	L110 L111 L114 L133 C179 L181 I271	L110-W116 PolarHBondContact O-NE1 3.36Å; L110-W116 VanDerWaalsContact O-NE1 3.11Å; L111-W116 PolarHBondContact O-NE1 2.81Å; L114-W116 VanDerWaalsContact C-N 3.26Å; L114-W116 HydrophobicContact CB-CD2 4.36Å; L114-W116 HydrophobicContact CB-CZ2 4.03Å; L114-W116 HydrophobicContact CD1-CH2 3.95Å; L114-W116 HydrophobicContact CD1-CZ2 3.67Å; L114-W116 HydrophobicContact CG-CZ2 4.37Å; L114-W116 PolarHBondContact O-N 3.46Å; W116-L133 HydrophobicContact CB-CB 4.08Å; W116-L133 HydrophobicContact CB-CD1 3.96Å; W116-L133 HydrophobicContact CE3-CB 4.32Å; W116-C179 HydrophobicContact CH2-CB 3.81Å; W116-C179 HydrophobicContact CZ3-CB 3.76Å; W116-L181 HydrophobicContact CD2-CB 3.84Å; W116-L181 HydrophobicContact CD2-CD2 3.7Å; W116-L181 HydrophobicContact CD2-CG 4.45Å; W116-L181 HydrophobicContact CE3-CB 3.55Å; W116-L181 HydrophobicContact CE3-CD2 4.28Å; W116-L181 HydrophobicContact CG-CD2 3.83Å; W116-L181 HydrophobicContact CH2-CB 3.69Å; W116-L181 HydrophobicContact CZ2-CB 3.95Å; W116-L181 HydrophobicContact CZ2-CD2 4.3Å; W116-L181 HydrophobicContact CZ3-CB 3.48Å; W116-L181 VanDerWaalsContact CZ3-CB 3.48Å; W116-I271 HydrophobicContact CH2-CD1 4.49Å; W116-I271 HydrophobicContact CH2-CG1 4.17Å; W116-I271 HydrophobicContact CH2-CG2 4.18Å; W116-I271 HydrophobicContact CZ2-CD1 3.83Å; W116-I271 HydrophobicContact CZ2-CG1 3.92Å; W116-I271 HydrophobicContact CZ2-CG2 4.49Å
117	S	94.6	Very high	90.8	Very high	52 Å²	52	76.5 Å²	76.5	36%	0.364	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-128.3	140.4	178.6	63.2	0	0	0	0	111.4	P115 L133 T134	P115-S117 PolarHBondContact O-N 3.17Å; S117-L133 CarbonylContact O-C 3.59Å; S117-L133 WeakPolarHBondContact O-CA 3.38Å; S117-T134 PolarHBondContact N-O 2.97Å; S117-T134 PolarHBondContact O-N 3.15Å; S117-T134 PolarHBondContact OG-O 2.9Å
118	Q	94.4	Very high	90.3	Very high	79 Å²	79	79.4 Å²	79.4	37%	0.369	43%	0.427	S	S	.	.			trans	-84.7	141.7	164.2	-152	161.3	-10.7	0	0	108.2	E129 E130 L133	Q118-E129 HydrophobicContact CG-CB 4.42Å; Q118-E130 WeakPolarHBondContact CG-O 3.19Å; Q118-E130 PolarHBondContact NE2-O 2.82Å; Q118-L133 HydrophobicContact CB-CD2 3.61Å; Q118-L133 HydrophobicContact CG-CD2 4.06Å
119	K	89.1	Confident	90	Very high	41 Å²	41	80.1 Å²	80.1	18%	0.178	42%	0.422	C	S	.	.			trans	-114.3	132	-177.6	-72.4	179.3	177.2	170.1	0	110.2	E130 T134 M149	K119-E130 PolarHBondContact O-N 3.11Å; K119-T134 WeakPolarHBondContact CD-OG1 3.45Å; K119-T134 WeakPolarHBondContact CE-OG1 3.32Å; K119-T134 PolarHBondContact NZ-OG1 2.77Å; K119-M149 PolarHBondContact NZ-SD 3.06Å
120	T	87.4	Confident	89.7	Confident	77 Å²	77	77 Å²	77	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.9	160.7	-38.7	0	0	0	0	109.5	A127 E129	T120-A127 HydrophobicContact CG2-CB 3.88Å; T120-E129 WeakPolarHBondContact CA-OE1 3.48Å; T120-E129 VanDerWaalsContact CB-OE1 3.26Å; T120-E129 WeakPolarHBondContact CB-OE1 3.43Å; T120-E129 PolarHBondContact OG1-OE1 3.24Å
121	N	82.3	Confident	89.6	Confident	10 Å²	10	78.6 Å²	78.6	5%	0.053	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	165.7	173.3	-168	-13.9	0	0	0	108.8	A127 Y128 E130 S145	N121-A127 CarbonylContact O-C 3.59Å; N121-A127 WeakPolarHBondContact O-CA 3.38Å; N121-Y128 HydrophobicContact CB-CD1 4.49Å; N121-Y128 HydrophobicContact CB-CE1 3.83Å; N121-Y128 HydrophobicContact CB-CE2 4.39Å; N121-Y128 PolarHBondContact N-O 2.98Å; N121-Y128 PolarHBondContact ND2-OH 3.41Å; N121-Y128 VanDerWaalsContact O-CD1 3.24Å; N121-Y128 WeakPolarHBondContact O-CD1 3.13Å; N121-Y128 PolarHBondContact O-N 3.05Å; N121-E130 HydrophobicContact CB-CG 3.85Å; N121-E130 WeakPolarHBondContact CB-OE1 3.43Å; N121-E130 PolarHBondContact ND2-OE1 2.91Å; N121-S145 VanDerWaalsContact ND2-CB 3.27Å; N121-S145 WeakPolarHBondContact ND2-CB 3.23Å; N121-S145 PolarHBondContact ND2-OG 3.37Å; N121-S145 PolarHBondContact OD1-OG 2.8Å; N121-S145 VanDerWaalsContact OD1-OG 3.14Å
122	Y	78.8	Confident	89.5	Confident	160 Å²	160	76.1 Å²	76.1	63%	0.627	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.8	-173.5	-68.1	-92	0	0	0	111.8	E126 A127	Y122-E126 CarbonylContact C-O 3.58Å; Y122-E126 WeakPolarHBondContact CA-O 3.22Å; Y122-A127 HydrophobicContact CD1-CB 4.05Å; Y122-A127 HydrophobicContact CE1-CB 3.7Å
123	R	77.3	Confident	89.5	Confident	181 Å²	181	73.6 Å²	73.6	68%	0.683	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	122	177	-174.9	173.5	-175.9	-177.2	1.7	109.9	G125 E126 Y128	R123-G125 PolarHBondContact O-N 2.86Å; R123-G125 VanDerWaalsContact O-N 3.11Å; R123-E126 PolarHBondContact N-O 3.16Å; R123-E126 PolarHBondContact O-N 3.19Å; R123-Y128 HydrophobicContact CB-CD1 3.84Å; R123-Y128 HydrophobicContact CB-CE1 3.66Å
124	L	76.9	Confident	89.4	Confident	178 Å²	178	69.7 Å²	69.7	93%	0.932	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	23.3	-176	-56.6	173.7	0	0	0	114.1
125	G	81.1	Confident	89.3	Confident	68 Å²	68	69.5 Å²	69.5	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-14.3	-175.4	0	0	0	0	0	114.6	R123	R123-G125 PolarHBondContact O-N 2.86Å; R123-G125 VanDerWaalsContact O-N 3.11Å
126	E	83.7	Confident	89.1	Confident	153 Å²	153	65.6 Å²	65.6	72%	0.715	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	133.6	175.8	-61	-173.7	145.1	0	0	110.8	Y122 R123	Y122-E126 CarbonylContact C-O 3.58Å; Y122-E126 WeakPolarHBondContact CA-O 3.22Å; R123-E126 PolarHBondContact N-O 3.16Å; R123-E126 PolarHBondContact O-N 3.19Å
127	A	87.8	Confident	88.8	Confident	61 Å²	61	63.8 Å²	63.8	50%	0.504	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134	172.4	0	0	0	0	0	110.3	T120 N121 Y122	T120-A127 HydrophobicContact CG2-CB 3.88Å; N121-A127 CarbonylContact O-C 3.59Å; N121-A127 WeakPolarHBondContact O-CA 3.38Å; Y122-A127 HydrophobicContact CD1-CB 4.05Å; Y122-A127 HydrophobicContact CE1-CB 3.7Å
128	Y	88.6	Confident	88.4	Confident	89 Å²	89	61.3 Å²	61.3	35%	0.349	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.8	173.5	74.5	-81.4	0	0	0	110.6	N121 R123 E130	N121-Y128 HydrophobicContact CB-CD1 4.49Å; N121-Y128 HydrophobicContact CB-CE1 3.83Å; N121-Y128 HydrophobicContact CB-CE2 4.39Å; N121-Y128 PolarHBondContact N-O 2.98Å; N121-Y128 PolarHBondContact ND2-OH 3.41Å; N121-Y128 VanDerWaalsContact O-CD1 3.24Å; N121-Y128 WeakPolarHBondContact O-CD1 3.13Å; N121-Y128 PolarHBondContact O-N 3.05Å; R123-Y128 HydrophobicContact CB-CD1 3.84Å; R123-Y128 HydrophobicContact CB-CE1 3.66Å; Y128-E130 HydrophobicContact CE2-CG 4.1Å
129	E	91.4	Very high	87.6	Confident	89 Å²	89	62.4 Å²	62.4	42%	0.416	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.9	169	-71.3	-54.8	120.3	0	0	109.9	Q118 T120	Q118-E129 HydrophobicContact CG-CB 4.42Å; T120-E129 WeakPolarHBondContact CA-OE1 3.48Å; T120-E129 VanDerWaalsContact CB-OE1 3.26Å; T120-E129 WeakPolarHBondContact CB-OE1 3.43Å; T120-E129 PolarHBondContact OG1-OE1 3.24Å
130	E	92.2	Very high	86.8	Confident	7 Å²	7	63.1 Å²	63.1	3%	0.033	32%	0.323	C	S	.	.			trans	-60.4	128.7	174.5	-70.5	-162.8	-178.9	0	0	109.7	Q118 K119 N121 Y128 R132	Q118-E130 WeakPolarHBondContact CG-O 3.19Å; Q118-E130 PolarHBondContact NE2-O 2.82Å; K119-E130 PolarHBondContact O-N 3.11Å; N121-E130 HydrophobicContact CB-CG 3.85Å; N121-E130 WeakPolarHBondContact CB-OE1 3.43Å; N121-E130 PolarHBondContact ND2-OE1 2.91Å; Y128-E130 HydrophobicContact CE2-CG 4.1Å; E130-R132 PolarHBondContact O-N 2.78Å; E130-R132 IonicContact OE2-CZ 3.78Å; E130-R132 IonicContact OE2-NH1 3.36Å; E130-R132 PolarHBondContact OE2-NH1 2.88Å; E130-R132 IonicContact OE2-NH2 3.47Å; E130-R132 PolarHBondContact OE2-NH2 2.93Å
131	P	94.9	Very high	86	Confident	34 Å²	34	63.3 Å²	63.3	22%	0.221	33%	0.325	C	S	.	.	S	Bend	trans	-81.7	60.4	-176.9	32.5	-34.1	0	0	0	110.4	D187 S188	P131-D187 CarbonylContact O-C 3.5Å; P131-D187 WeakPolarHBondContact O-CA 3.35Å; P131-D187 WeakPolarHBondContact O-CB 3.47Å; P131-D187 VanDerWaalsContact O-CG 3.25Å; P131-D187 VanDerWaalsContact O-OD1 3.05Å; P131-S188 PolarHBondContact O-N 2.95Å; P131-S188 VanDerWaalsContact O-O 3.11Å
132	R	96.4	Very high	85.2	Confident	8 Å²	8	63 Å²	63	3%	0.03	32%	0.323	C	S	.	.	S	Bend	trans	-174.7	156.8	168.4	62.6	-160.5	-167.8	-57.7	-16.7	107.8	E130 T134 N180 L181 Y182 D187	E130-R132 PolarHBondContact O-N 2.78Å; E130-R132 IonicContact OE2-CZ 3.78Å; E130-R132 IonicContact OE2-NH1 3.36Å; E130-R132 PolarHBondContact OE2-NH1 2.88Å; E130-R132 IonicContact OE2-NH2 3.47Å; E130-R132 PolarHBondContact OE2-NH2 2.93Å; R132-T134 HydrophobicContact CG-CG2 4.18Å; R132-N180 PolarHBondContact NE-OD1 2.73Å; R132-N180 PolarHBondContact NH2-OD1 2.74Å; R132-L181 WeakPolarHBondContact CB-O 3.41Å; R132-Y182 HydrophobicContact CB-CD1 4.26Å; R132-Y182 HydrophobicContact CB-CE1 4.43Å; R132-D187 HydrophobicContact CB-CB 4.4Å; R132-D187 PolarHBondContact N-OD1 2.7Å
133	L	97.4	Very high	84.6	Confident	31 Å²	31	55.7 Å²	55.7	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	148.7	168.1	-55.7	-178.2	0	0	0	109.6	W116 S117 Q118 L181 R183	W116-L133 HydrophobicContact CB-CB 4.08Å; W116-L133 HydrophobicContact CB-CD1 3.96Å; W116-L133 HydrophobicContact CE3-CB 4.32Å; S117-L133 CarbonylContact O-C 3.59Å; S117-L133 WeakPolarHBondContact O-CA 3.38Å; Q118-L133 HydrophobicContact CB-CD2 3.61Å; Q118-L133 HydrophobicContact CG-CD2 4.06Å; L133-L181 HydrophobicContact CB-CB 4.22Å; L133-L181 HydrophobicContact CD1-CD2 4.17Å; L133-L181 PolarHBondContact N-O 2.82Å; L133-L181 PolarHBondContact O-N 3.39Å; L133-R183 HydrophobicContact CD1-CG 4.25Å; L133-R183 HydrophobicContact CG-CG 4.31Å
134	T	95.6	Very high	83.9	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.6	176.3	67.7	0	0	0	0	111.9	S117 K119 R132 C179	S117-T134 PolarHBondContact N-O 2.97Å; S117-T134 PolarHBondContact O-N 3.15Å; S117-T134 PolarHBondContact OG-O 2.9Å; K119-T134 WeakPolarHBondContact CD-OG1 3.45Å; K119-T134 WeakPolarHBondContact CE-OG1 3.32Å; K119-T134 PolarHBondContact NZ-OG1 2.77Å; R132-T134 HydrophobicContact CG-CG2 4.18Å; T134-C179 VanDerWaalsContact CA-O 3.24Å; T134-C179 WeakPolarHBondContact CA-O 3.41Å
135	C	93.1	Very high	83	Confident	7 Å²	7	43 Å²	43	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	160.6	157.1	56.7	0	0	0	0	108.1	P115 F137 C179	P115-C135 HydrophobicContact CG-CB 4.22Å; P115-C135 WeakPolarHBondContact O-CB 3.25Å; C135-F137 HydrophobicContact CB-CE2 4.44Å; C135-C179 PolarHBondContact N-O 2.88Å; C135-C179 VanDerWaalsContact N-O 3.12Å; C135-C179 WeakPolarHBondContact O-CB 3.45Å; C135-C179 PolarHBondContact O-N 3.49Å; C135-C179 VanDerWaalsContact SG-CB 3.55Å
136	W	91.6	Very high	81.9	Confident	6 Å²	6	47.8 Å²	47.8	2%	0.023	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.5	-174.5	173.7	88	0	0	0	110.5	G138 L140 Y142 M149 A150 N152 S176 L177 L178	W136-G138 WeakPolarHBondContact CH2-O 3.47Å; W136-L140 WeakPolarHBondContact CH2-O 2.99Å; W136-Y142 HydrophobicContact CZ2-CG 4.49Å; W136-Y142 AromaticContact NE1-CD1 3.74Å; W136-M149 HydrophobicContact CB-CE 3.8Å; W136-M149 HydrophobicContact CB-SD 3.7Å; W136-M149 HydrophobicContact CD2-SD 4.33Å; W136-M149 HydrophobicContact CE3-CB 4.09Å; W136-M149 HydrophobicContact CE3-CE 4.4Å; W136-M149 HydrophobicContact CE3-SD 4.47Å; W136-M149 HydrophobicContact CG-CE 4.5Å; W136-M149 HydrophobicContact CG-SD 4.02Å; W136-M149 HydrophobicContact CZ3-CB 4.41Å; W136-A150 VanDerWaalsContact CZ3-O 3.31Å; W136-A150 WeakPolarHBondContact CZ3-O 3.19Å; W136-N152 HydrophobicContact CE3-CB 4.15Å; W136-N152 HydrophobicContact CZ3-CB 3.93Å; W136-N152 PolarHBondContact O-ND2 2.8Å; W136-S176 PolarHBondContact NE1-OG 2.85Å; W136-L177 WeakPolarHBondContact CA-O 3.38Å; W136-L178 HydrophobicContact CB-CD1 4.15Å
137	F	90.6	Very high	80.8	Confident	7 Å²	7	43.6 Å²	43.6	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142	179.5	-57.5	-90.5	0	0	0	108.4	L114 P115 C135 N152 Q154 W155 L159 L177	L114-F137 HydrophobicContact CD2-CE2 4.14Å; L114-F137 HydrophobicContact CD2-CZ 3.95Å; P115-F137 HydrophobicContact CG-CZ 4.42Å; C135-F137 HydrophobicContact CB-CE2 4.44Å; F137-N152 WeakPolarHBondContact CD1-ND2 3.38Å; F137-N152 WeakPolarHBondContact CE1-ND2 3.45Å; F137-Q154 WeakPolarHBondContact CD1-O 3.34Å; F137-Q154 VanDerWaalsContact CE1-O 3.24Å; F137-Q154 WeakPolarHBondContact CE1-O 3.48Å; F137-W155 HydrophobicContact CB-CD2 3.91Å; F137-W155 HydrophobicContact CB-CG 4.05Å; F137-W155 HydrophobicContact CB-CZ2 4.25Å; F137-L159 HydrophobicContact CD2-CD1 3.65Å; F137-L159 HydrophobicContact CE2-CD1 3.48Å; F137-L159 VanDerWaalsContact CE2-CD1 3.48Å; F137-L159 HydrophobicContact CG-CD1 4.37Å; F137-L159 HydrophobicContact CZ-CD1 4.09Å; F137-L177 PolarHBondContact N-O 3.08Å; F137-L177 PolarHBondContact O-N 3Å
138	G	85.6	Confident	79.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.9	159.8	-179.8	0	0	0	0	0	114.2	W136 N152 N175	W136-G138 WeakPolarHBondContact CH2-O 3.47Å; G138-N152 PolarHBondContact N-O 3.24Å; G138-N152 CarbonylContact O-C 3.55Å; G138-N152 PolarHBondContact O-N 2.88Å; G138-N175 WeakPolarHBondContact CA-O 3.5Å
139	E	77.4	Confident	78.8	Confident	103 Å²	103	42.7 Å²	42.7	48%	0.481	23%	0.23	S	C	.	.	S	Bend	trans	-85.3	-26	-168	-63.9	171.6	-178.3	0	0	113.5	A151 T153 N175	E139-A151 WeakPolarHBondContact O-CB 3.29Å; E139-T153 HydrophobicContact CG-CG2 4.47Å; E139-N175 PolarHBondContact N-O 3.09Å
140	L	73.4	Confident	77.8	Confident	56 Å²	56	42.4 Å²	42.4	29%	0.293	24%	0.242	S	C	.	.	S	Bend	trans	-114.4	145.1	179.9	-63.5	178.5	0	0	0	110.9	W136 Y142 V278 P280	W136-L140 WeakPolarHBondContact CH2-O 2.99Å; L140-Y142 PolarHBondContact O-N 2.81Å; L140-V278 HydrophobicContact CB-CG1 4.18Å; L140-V278 HydrophobicContact CD1-CG1 4.32Å; L140-V278 WeakPolarHBondContact CD1-O 3.26Å; L140-P280 HydrophobicContact CD1-CG 4.14Å
141	P	69.1	Low	77	Confident	80 Å²	80	44.4 Å²	44.4	52%	0.519	26%	0.26	S	S	.	.			trans	-56.3	130.5	172.2	-22.8	33.8	0	0	0	111.4	T148 M149	P141-T148 HydrophobicContact CB-CG2 4.32Å; P141-M149 CarbonylContact C-O 3.46Å; P141-M149 WeakPolarHBondContact CA-O 3.48Å; P141-M149 WeakPolarHBondContact CB-O 3.16Å
142	Y	65.9	Low	76.3	Confident	3 Å²	3	44.7 Å²	44.7	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.7	-173.7	172.1	-113.6	0	0	0	110.2	W136 L140 Y144 M149 E196 R276 V278	W136-Y142 HydrophobicContact CZ2-CG 4.49Å; W136-Y142 AromaticContact NE1-CD1 3.74Å; L140-Y142 PolarHBondContact O-N 2.81Å; Y142-Y144 HydrophobicContact CE1-CG 4.47Å; Y142-Y144 WeakPolarHBondContact OH-CD2 3.39Å; Y142-M149 PolarHBondContact N-O 2.99Å; Y142-M149 VanDerWaalsContact N-O 3.1Å; Y142-M149 PolarHBondContact O-N 3.41Å; Y142-E196 WeakPolarHBondContact CE2-OE2 3.25Å; Y142-E196 PolarHBondContact OH-OE2 3.43Å; Y142-R276 PolarHBondContact OH-NH1 3.31Å; Y142-V278 HydrophobicContact CD2-CG2 3.97Å; Y142-V278 HydrophobicContact CE2-CG2 4.48Å
143	T	66	Low	75.5	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.049	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.2	179.6	-55.8	0	0	0	0	111	S147 T148 P287	T143-S147 WeakPolarHBondContact CA-O 3.37Å; T143-T148 PolarHBondContact OG1-OG1 2.84Å; T143-P287 HydrophobicContact CG2-CB 3.86Å
144	Y	63.5	Low	75	Confident	42 Å²	42	55.5 Å²	55.5	17%	0.165	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130	174.9	-176.6	-99.3	0	0	0	110.2	Y142 H146 S147 E196	Y142-Y144 HydrophobicContact CE1-CG 4.47Å; Y142-Y144 WeakPolarHBondContact OH-CD2 3.39Å; Y144-H146 VanDerWaalsContact C-N 3.28Å; Y144-H146 PolarHBondContact O-N 2.7Å; Y144-S147 PolarHBondContact N-O 3.36Å; Y144-S147 WeakPolarHBondContact O-CB 3.48Å; Y144-S147 PolarHBondContact O-N 3.28Å; Y144-E196 VanDerWaalsContact CD2-OE1 3.3Å; Y144-E196 WeakPolarHBondContact CD2-OE1 3.4Å; Y144-E196 WeakPolarHBondContact CE2-OE1 3.26Å
145	S	57.2	Low	74.8	Confident	50 Å²	50	57.1 Å²	57.1	35%	0.35	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	44.5	175.5	-138.5	0	0	0	0	113.9	N121 S147	N121-S145 VanDerWaalsContact ND2-CB 3.27Å; N121-S145 WeakPolarHBondContact ND2-CB 3.23Å; N121-S145 PolarHBondContact ND2-OG 3.37Å; N121-S145 PolarHBondContact OD1-OG 2.8Å; N121-S145 VanDerWaalsContact OD1-OG 3.14Å; S145-S147 PolarHBondContact O-N 2.94Å
146	H	58.3	Low	74.8	Confident	168 Å²	168	58.9 Å²	58.9	78%	0.778	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	8.4	-175.4	-46	-61.8	0	0	0	116.4	Y144	Y144-H146 VanDerWaalsContact C-N 3.28Å; Y144-H146 PolarHBondContact O-N 2.7Å
147	S	60.3	Low	75	Confident	66 Å²	66	63.3 Å²	63.3	46%	0.462	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.1	170	-169.3	0	0	0	0	110.4	T143 Y144 S145	T143-S147 WeakPolarHBondContact CA-O 3.37Å; Y144-S147 PolarHBondContact N-O 3.36Å; Y144-S147 WeakPolarHBondContact O-CB 3.48Å; Y144-S147 PolarHBondContact O-N 3.28Å; S145-S147 PolarHBondContact O-N 2.94Å
148	T	67.4	Low	75.3	Confident	86 Å²	86	64 Å²	64	53%	0.528	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.4	174	-55.6	0	0	0	0	110.2	P141 T143	P141-T148 HydrophobicContact CB-CG2 4.32Å; T143-T148 PolarHBondContact OG1-OG1 2.84Å
149	M	66.8	Low	75.8	Confident	45 Å²	45	64 Å²	64	22%	0.222	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.1	170.8	-56.5	-161	67.3	0	0	109.6	K119 W136 P141 Y142	K119-M149 PolarHBondContact NZ-SD 3.06Å; W136-M149 HydrophobicContact CB-CE 3.8Å; W136-M149 HydrophobicContact CB-SD 3.7Å; W136-M149 HydrophobicContact CD2-SD 4.33Å; W136-M149 HydrophobicContact CE3-CB 4.09Å; W136-M149 HydrophobicContact CE3-CE 4.4Å; W136-M149 HydrophobicContact CE3-SD 4.47Å; W136-M149 HydrophobicContact CG-CE 4.5Å; W136-M149 HydrophobicContact CG-SD 4.02Å; W136-M149 HydrophobicContact CZ3-CB 4.41Å; P141-M149 CarbonylContact C-O 3.46Å; P141-M149 WeakPolarHBondContact CA-O 3.48Å; P141-M149 WeakPolarHBondContact CB-O 3.16Å; Y142-M149 PolarHBondContact N-O 2.99Å; Y142-M149 VanDerWaalsContact N-O 3.1Å; Y142-M149 PolarHBondContact O-N 3.41Å
150	A	71.1	Confident	76.7	Confident	82 Å²	82	61 Å²	61	68%	0.678	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-66.5	146.5	169.6	0	0	0	0	0	110.3	W136 N152	W136-A150 VanDerWaalsContact CZ3-O 3.31Å; W136-A150 WeakPolarHBondContact CZ3-O 3.19Å; A150-N152 PolarHBondContact O-N 2.74Å
151	A	75.7	Confident	77.8	Confident	49 Å²	49	60.6 Å²	60.6	41%	0.405	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-53.9	136	-179.7	0	0	0	0	0	112	E139	E139-A151 WeakPolarHBondContact O-CB 3.29Å
152	N	79.6	Confident	79.2	Confident	41 Å²	41	56.9 Å²	56.9	22%	0.219	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-130.2	89.9	-177.3	178	16.1	0	0	0	109.5	W136 F137 G138 A150 Q154	W136-N152 HydrophobicContact CE3-CB 4.15Å; W136-N152 HydrophobicContact CZ3-CB 3.93Å; W136-N152 PolarHBondContact O-ND2 2.8Å; F137-N152 WeakPolarHBondContact CD1-ND2 3.38Å; F137-N152 WeakPolarHBondContact CE1-ND2 3.45Å; G138-N152 PolarHBondContact N-O 3.24Å; G138-N152 CarbonylContact O-C 3.55Å; G138-N152 PolarHBondContact O-N 2.88Å; A150-N152 PolarHBondContact O-N 2.74Å; N152-Q154 VanDerWaalsContact C-N 3.27Å; N152-Q154 PolarHBondContact O-N 3.44Å; N152-Q154 PolarHBondContact OD1-N 2.73Å
153	T	80.4	Confident	80.6	Confident	102 Å²	102	59 Å²	59	63%	0.626	34%	0.341	S	S	*	.			trans	-83.1	0.6	178.5	52	0	0	0	0	113.4	E139 W155	E139-T153 HydrophobicContact CG-CG2 4.47Å; T153-W155 PolarHBondContact O-N 3.25Å
154	Q	86.8	Confident	82.1	Confident	164 Å²	164	62.9 Å²	62.9	77%	0.766	36%	0.359	S	S	*	.			trans	-82.3	57.8	178.6	-61.4	-173.6	-28.2	0	0	111.5	F137 N152 H156	F137-Q154 WeakPolarHBondContact CD1-O 3.34Å; F137-Q154 VanDerWaalsContact CE1-O 3.24Å; F137-Q154 WeakPolarHBondContact CE1-O 3.48Å; N152-Q154 VanDerWaalsContact C-N 3.27Å; N152-Q154 PolarHBondContact O-N 3.44Å; N152-Q154 PolarHBondContact OD1-N 2.73Å; Q154-H156 PolarHBondContact O-N 2.86Å
155	W	91	Very high	83.8	Confident	34 Å²	34	62.5 Å²	62.5	13%	0.129	36%	0.364	C	S	.	.			trans	-62.7	130.2	177.6	-72.3	61	0	0	0	110.4	F137 T153 L159 V160 R163 L177 F275	F137-W155 HydrophobicContact CB-CD2 3.91Å; F137-W155 HydrophobicContact CB-CG 4.05Å; F137-W155 HydrophobicContact CB-CZ2 4.25Å; T153-W155 PolarHBondContact O-N 3.25Å; W155-L159 HydrophobicContact CE3-CB 4.02Å; W155-V160 HydrophobicContact CB-CG2 3.62Å; W155-V160 HydrophobicContact CG-CG2 4.47Å; W155-R163 HydrophobicContact CZ3-CB 4.12Å; W155-R163 HydrophobicContact CZ3-CG 4.44Å; W155-L177 HydrophobicContact CE3-CD2 4.08Å; W155-L177 HydrophobicContact CH2-CB 3.44Å; W155-L177 VanDerWaalsContact CH2-CB 3.44Å; W155-L177 HydrophobicContact CH2-CD2 4.17Å; W155-L177 HydrophobicContact CH2-CG 4.46Å; W155-L177 HydrophobicContact CZ2-CB 4.06Å; W155-L177 HydrophobicContact CZ3-CB 3.8Å; W155-L177 HydrophobicContact CZ3-CD2 3.61Å; W155-L177 HydrophobicContact CZ3-CG 4.37Å; W155-F275 HydrophobicContact CZ3-CE1 4.35Å
156	H	93.8	Very high	85.7	Confident	45 Å²	45	60.1 Å²	60.1	21%	0.208	35%	0.347	C	S	.	.			trans	-63.4	139.9	171.1	-176	-88.2	0	0	0	109.6	E113 L114 Q154 L158 L159 V160	E113-H156 WeakPolarHBondContact CB-NE2 3.33Å; E113-H156 IonicContact OE2-CE1 3.54Å; E113-H156 IonicContact OE2-NE2 1.78Å; E113-H156 PolarHBondContact OE2-NE2 2.87Å; L114-H156 HydrophobicContact CD2-CB 3.88Å; Q154-H156 PolarHBondContact O-N 2.86Å; H156-L158 WeakPolarHBondContact CE1-CD1 3.44Å; H156-L158 WeakPolarHBondContact CE1-CG 3.46Å; H156-L158 PolarHBondContact ND1-N 2.75Å; H156-L158 PolarHBondContact O-N 3.3Å; H156-L159 HydrophobicContact CB-CD1 4.18Å; H156-L159 HydrophobicContact CB-CG 4.15Å; H156-L159 WeakPolarHBondContact O-CA 3.45Å; H156-L159 WeakPolarHBondContact O-CB 3.35Å; H156-L159 PolarHBondContact O-N 2.88Å; H156-V160 PolarHBondContact O-N 2.83Å
157	P	95.4	Very high	87.6	Confident	99 Å²	99	53.8 Å²	53.8	64%	0.643	32%	0.318	S	S	*	.	H	α-helix	trans	-54.7	-33.1	-173.4	-29.8	36.4	0	0	0	114.9	L159 V160 A161	P157-L159 VanDerWaalsContact C-N 3.34Å; P157-V160 PolarHBondContact O-N 2.87Å; P157-A161 PolarHBondContact O-N 3.09Å
158	L	95.9	Very high	89.4	Confident	20 Å²	20	58.4 Å²	58.4	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-70	-30.9	175.9	-59.5	-177	0	0	0	112.7	W105 M106 K109 L110 H156 V160 L162	W105-L158 HydrophobicContact CH2-CD1 4.38Å; W105-L158 HydrophobicContact CH2-CD2 3.56Å; W105-L158 HydrophobicContact CZ3-CD1 4.22Å; W105-L158 HydrophobicContact CZ3-CD2 3.48Å; W105-L158 VanDerWaalsContact CZ3-CD2 3.48Å; M106-L158 HydrophobicContact CG-CD1 4.5Å; K109-L158 HydrophobicContact CB-CD1 3.56Å; K109-L158 HydrophobicContact CG-CD1 4.12Å; L110-L158 HydrophobicContact CD2-CB 4.1Å; L110-L158 HydrophobicContact CD2-CD1 4.45Å; H156-L158 WeakPolarHBondContact CE1-CD1 3.44Å; H156-L158 WeakPolarHBondContact CE1-CG 3.46Å; H156-L158 PolarHBondContact ND1-N 2.75Å; H156-L158 PolarHBondContact O-N 3.3Å; L158-V160 VanDerWaalsContact C-N 3.34Å; L158-L162 VanDerWaalsContact O-CB 3.23Å; L158-L162 WeakPolarHBondContact O-CB 3.36Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.44Å; L158-L162 PolarHBondContact O-N 2.81Å
159	L	96.7	Very high	90.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-72.9	-29	175.4	-60.2	-177.7	0	0	0	111.8	L110 L114 F137 W155 H156 P157 R163 L177 L273	L110-L159 HydrophobicContact CD1-CD2 3.84Å; L110-L159 HydrophobicContact CD2-CD2 3.67Å; L110-L159 HydrophobicContact CD2-CG 3.96Å; L110-L159 HydrophobicContact CG-CD2 4.43Å; L114-L159 HydrophobicContact CD1-CD1 4.21Å; L114-L159 HydrophobicContact CD2-CD1 3.76Å; L114-L159 HydrophobicContact CD2-CG 4.46Å; F137-L159 HydrophobicContact CD2-CD1 3.65Å; F137-L159 HydrophobicContact CE2-CD1 3.48Å; F137-L159 VanDerWaalsContact CE2-CD1 3.48Å; F137-L159 HydrophobicContact CG-CD1 4.37Å; F137-L159 HydrophobicContact CZ-CD1 4.09Å; W155-L159 HydrophobicContact CE3-CB 4.02Å; H156-L159 HydrophobicContact CB-CD1 4.18Å; H156-L159 HydrophobicContact CB-CG 4.15Å; H156-L159 WeakPolarHBondContact O-CA 3.45Å; H156-L159 WeakPolarHBondContact O-CB 3.35Å; H156-L159 PolarHBondContact O-N 2.88Å; P157-L159 VanDerWaalsContact C-N 3.34Å; L159-R163 VanDerWaalsContact O-CB 3.31Å; L159-R163 WeakPolarHBondContact O-CB 3.38Å; L159-R163 PolarHBondContact O-N 2.97Å; L159-L177 HydrophobicContact CB-CD2 3.85Å; L159-L177 HydrophobicContact CD1-CD2 3.82Å; L159-L177 HydrophobicContact CD2-CD2 3.99Å; L159-L177 HydrophobicContact CG-CD2 4.09Å; L159-L273 HydrophobicContact CD2-CD1 3.87Å; L159-L273 HydrophobicContact CD2-CD2 3.89Å
160	V	95.8	Very high	92	Very high	41 Å²	41	54.8 Å²	54.8	25%	0.248	32%	0.318	C	S	.	.	H	α-helix	trans	-69	-50.3	170.9	-174.9	0	0	0	0	110.4	W155 H156 P157 L158 L162 R163 E164	W155-V160 HydrophobicContact CB-CG2 3.62Å; W155-V160 HydrophobicContact CG-CG2 4.47Å; H156-V160 PolarHBondContact O-N 2.83Å; P157-V160 PolarHBondContact O-N 2.87Å; L158-V160 VanDerWaalsContact C-N 3.34Å; V160-L162 VanDerWaalsContact C-N 3.34Å; V160-L162 PolarHBondContact O-N 2.81Å; V160-R163 WeakPolarHBondContact O-CB 3.49Å; V160-R163 PolarHBondContact O-N 3.3Å; V160-R163 VanDerWaalsContact O-N 3.16Å; V160-E164 WeakPolarHBondContact CG1-OE1 3.31Å; V160-E164 WeakPolarHBondContact O-CG 3.49Å; V160-E164 PolarHBondContact O-N 2.84Å
161	A	96.8	Very high	93.2	Very high	48 Å²	48	54.3 Å²	54.3	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-40.6	177.6	0	0	0	0	0	112.6	P157 E164 A165	P157-A161 PolarHBondContact O-N 3.09Å; A161-E164 PolarHBondContact O-N 2.96Å; A161-A165 PolarHBondContact O-N 2.87Å
162	L	97.8	Very high	94.1	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-67.8	-36.2	174.7	-76.8	177.1	0	0	0	112.7	L98 M106 L110 L158 V160 V166 L208 L273 F275	L98-L162 HydrophobicContact CD1-CD2 4.03Å; L98-L162 HydrophobicContact CD2-CD2 3.9Å; M106-L162 HydrophobicContact CE-CD2 4.21Å; M106-L162 HydrophobicContact SD-CD1 3.92Å; M106-L162 HydrophobicContact SD-CD2 3.52Å; M106-L162 VanDerWaalsContact SD-CD2 3.52Å; M106-L162 HydrophobicContact SD-CG 3.85Å; L110-L162 HydrophobicContact CD1-CD1 4.11Å; L158-L162 VanDerWaalsContact O-CB 3.23Å; L158-L162 WeakPolarHBondContact O-CB 3.36Å; L158-L162 VanDerWaalsContact O-CG 3.23Å; L158-L162 WeakPolarHBondContact O-CG 3.44Å; L158-L162 PolarHBondContact O-N 2.81Å; V160-L162 VanDerWaalsContact C-N 3.34Å; V160-L162 PolarHBondContact O-N 2.81Å; L162-V166 WeakPolarHBondContact O-CB 3.43Å; L162-V166 WeakPolarHBondContact O-CG2 3.38Å; L162-V166 PolarHBondContact O-N 2.87Å; L162-V166 VanDerWaalsContact O-N 3.08Å; L162-L208 HydrophobicContact CB-CD2 4.45Å; L162-L208 HydrophobicContact CD1-CD2 4.1Å; L162-L208 HydrophobicContact CD2-CD2 3.64Å; L162-L208 HydrophobicContact CG-CD2 4.29Å; L162-L273 HydrophobicContact CD1-CD1 3.57Å; L162-F275 HydrophobicContact CB-CZ 4.14Å
163	R	97.3	Very high	94.8	Very high	47 Å²	47	57 Å²	57	18%	0.177	34%	0.336	C	S	.	.	H	α-helix	trans	-58.7	-55.3	170.3	-176	-166.3	62.1	-177.7	-3.9	109.6	W155 L159 V160 A165 V166 E167 F174 F275	W155-R163 HydrophobicContact CZ3-CB 4.12Å; W155-R163 HydrophobicContact CZ3-CG 4.44Å; L159-R163 VanDerWaalsContact O-CB 3.31Å; L159-R163 WeakPolarHBondContact O-CB 3.38Å; L159-R163 PolarHBondContact O-N 2.97Å; V160-R163 WeakPolarHBondContact O-CB 3.49Å; V160-R163 PolarHBondContact O-N 3.3Å; V160-R163 VanDerWaalsContact O-N 3.16Å; R163-A165 VanDerWaalsContact C-N 3.3Å; R163-A165 PolarHBondContact O-N 2.89Å; R163-V166 CarbonylContact O-C 3.33Å; R163-V166 WeakPolarHBondContact O-CA 3.2Å; R163-V166 PolarHBondContact O-N 2.8Å; R163-E167 HydrophobicContact CG-CG 3.99Å; R163-E167 IonicContact NE-OE1 2.74Å; R163-E167 IonicContact NE-OE2 3.16Å; R163-E167 PolarHBondContact NE-OE2 2.85Å; R163-E167 VanDerWaalsContact O-CG 3.32Å; R163-E167 WeakPolarHBondContact O-CG 3.39Å; R163-E167 PolarHBondContact O-N 2.75Å; R163-F174 WeakPolarHBondContact CD-O 3.45Å; R163-F174 HydrophobicContact CG-CB 4.41Å; R163-F275 HydrophobicContact CB-CD1 4.2Å; R163-F275 HydrophobicContact CB-CE1 3.82Å; R163-F275 HydrophobicContact CG-CD1 4.26Å; R163-F275 HydrophobicContact CG-CE1 4.39Å
164	E	97.2	Very high	95.5	Very high	89 Å²	89	52.4 Å²	52.4	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-58.6	-39.4	-175.7	-71.7	169.5	-172	0	0	112.5	V160 A161 E167 Q168	V160-E164 WeakPolarHBondContact CG1-OE1 3.31Å; V160-E164 WeakPolarHBondContact O-CG 3.49Å; V160-E164 PolarHBondContact O-N 2.84Å; A161-E164 PolarHBondContact O-N 2.96Å; E164-E167 PolarHBondContact O-N 3.42Å; E164-Q168 WeakPolarHBondContact O-CB 3.45Å; E164-Q168 VanDerWaalsContact O-CG 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.39Å; E164-Q168 PolarHBondContact O-N 2.66Å
165	A	97.8	Very high	95.8	Very high	34 Å²	34	46 Å²	46	28%	0.281	28%	0.278	S	S	.	.	H	α-helix	trans	-65.1	-40.7	173.6	0	0	0	0	0	112.7	F97 A161 R163 A169	F97-A165 HydrophobicContact CZ-CB 3.97Å; A161-A165 PolarHBondContact O-N 2.87Å; R163-A165 VanDerWaalsContact C-N 3.3Å; R163-A165 PolarHBondContact O-N 2.89Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 2.98Å
166	V	98.1	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-71.9	-34	177.4	171	0	0	0	0	111.5	F97 L162 R163 A169 S170 F174 A206 L245 F275	F97-V166 HydrophobicContact CE1-CG2 3.76Å; F97-V166 HydrophobicContact CZ-CG2 3.86Å; L162-V166 WeakPolarHBondContact O-CB 3.43Å; L162-V166 WeakPolarHBondContact O-CG2 3.38Å; L162-V166 PolarHBondContact O-N 2.87Å; L162-V166 VanDerWaalsContact O-N 3.08Å; R163-V166 CarbonylContact O-C 3.33Å; R163-V166 WeakPolarHBondContact O-CA 3.2Å; R163-V166 PolarHBondContact O-N 2.8Å; V166-A169 PolarHBondContact O-N 2.85Å; V166-S170 WeakPolarHBondContact O-CB 3.36Å; V166-S170 PolarHBondContact O-N 2.92Å; V166-S170 PolarHBondContact O-OG 3.22Å; V166-F174 HydrophobicContact CG1-CD2 4.34Å; V166-F174 HydrophobicContact CG1-CE2 3.81Å; V166-A206 HydrophobicContact CG1-CB 3.46Å; V166-A206 VanDerWaalsContact CG1-CB 3.46Å; V166-L245 HydrophobicContact CG1-CD1 4.23Å; V166-L245 HydrophobicContact CG2-CD1 4.13Å; V166-L245 HydrophobicContact CG2-CD2 4.31Å; V166-F275 HydrophobicContact CG1-CD2 4.29Å; V166-F275 HydrophobicContact CG2-CE2 4.19Å
167	E	97.9	Very high	96.1	Very high	36 Å²	36	42.2 Å²	42.2	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-48.9	172.1	-70	179.6	134.6	0	0	110.7	R163 E164 A169 S170 G171 C172 T173 F174	R163-E167 HydrophobicContact CG-CG 3.99Å; R163-E167 IonicContact NE-OE1 2.74Å; R163-E167 IonicContact NE-OE2 3.16Å; R163-E167 PolarHBondContact NE-OE2 2.85Å; R163-E167 VanDerWaalsContact O-CG 3.32Å; R163-E167 WeakPolarHBondContact O-CG 3.39Å; R163-E167 PolarHBondContact O-N 2.75Å; E164-E167 PolarHBondContact O-N 3.42Å; E167-A169 PolarHBondContact O-N 2.99Å; E167-S170 WeakPolarHBondContact CA-OG 3.37Å; E167-S170 PolarHBondContact O-N 2.92Å; E167-S170 PolarHBondContact O-OG 2.93Å; E167-S170 VanDerWaalsContact O-OG 3.06Å; E167-G171 PolarHBondContact O-N 3.21Å; E167-C172 WeakPolarHBondContact CA-O 3.42Å; E167-C172 VanDerWaalsContact CB-O 3.25Å; E167-C172 WeakPolarHBondContact CB-O 3.34Å; E167-C172 WeakPolarHBondContact CG-O 3.48Å; E167-T173 VanDerWaalsContact OE1-CA 3.23Å; E167-T173 WeakPolarHBondContact OE1-CA 3.25Å; E167-F174 HydrophobicContact CG-CD2 3.68Å; E167-F174 HydrophobicContact CG-CE2 4.27Å; E167-F174 PolarHBondContact OE1-N 3.2Å
168	Q	97.3	Very high	96.1	Very high	162 Å²	162	38 Å²	38	76%	0.757	23%	0.234	S	C	*	.	H	α-helix	trans	-59.8	-40.2	176	-72.2	172	34.1	0	0	113.2	E164	E164-Q168 WeakPolarHBondContact O-CB 3.45Å; E164-Q168 VanDerWaalsContact O-CG 3.25Å; E164-Q168 WeakPolarHBondContact O-CG 3.39Å; E164-Q168 PolarHBondContact O-N 2.66Å
169	A	95.6	Very high	96.1	Very high	48 Å²	48	37 Å²	37	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-81.5	-24.8	-179.3	0	0	0	0	0	114.3	F97 A165 V166 E167 L245	F97-A169 HydrophobicContact CD2-CB 4.41Å; F97-A169 HydrophobicContact CE2-CB 3.61Å; F97-A169 HydrophobicContact CZ-CB 4.37Å; A165-A169 WeakPolarHBondContact O-CB 3.23Å; A165-A169 PolarHBondContact O-N 2.98Å; V166-A169 PolarHBondContact O-N 2.85Å; E167-A169 PolarHBondContact O-N 2.99Å; A169-L245 HydrophobicContact CB-CD2 4.44Å
170	S	94.6	Very high	96.2	Very high	8 Å²	8	37.3 Å²	37.3	6%	0.056	23%	0.23	C	C	.	.	H	α-helix	trans	-83.7	-39.2	178.1	60	0	0	0	0	112.8	R92 V166 E167 C172 L247	R92-S170 PolarHBondContact NH1-O 2.82Å; R92-S170 PolarHBondContact NH2-O 2.8Å; V166-S170 WeakPolarHBondContact O-CB 3.36Å; V166-S170 PolarHBondContact O-N 2.92Å; V166-S170 PolarHBondContact O-OG 3.22Å; E167-S170 WeakPolarHBondContact CA-OG 3.37Å; E167-S170 PolarHBondContact O-N 2.92Å; E167-S170 PolarHBondContact O-OG 2.93Å; E167-S170 VanDerWaalsContact O-OG 3.06Å; S170-C172 VanDerWaalsContact C-N 3.35Å; S170-C172 PolarHBondContact OG-N 2.84Å; S170-C172 PolarHBondContact OG-O 2.94Å; S170-L247 VanDerWaalsContact CB-CD2 3.41Å
171	G	95.4	Very high	96.3	Very high	72 Å²	72	35.7 Å²	35.7	74%	0.742	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	9.8	-162.7	0	0	0	0	0	113.6	E167	E167-G171 PolarHBondContact O-N 3.21Å
172	C	94.6	Very high	96.4	Very high	40 Å²	40	33.6 Å²	33.6	27%	0.27	20%	0.202	S	C	.	.			trans	-118.7	163.7	-178	-56.6	0	0	0	0	110.9	E167 S170 F174 T204	E167-C172 WeakPolarHBondContact CA-O 3.42Å; E167-C172 VanDerWaalsContact CB-O 3.25Å; E167-C172 WeakPolarHBondContact CB-O 3.34Å; E167-C172 WeakPolarHBondContact CG-O 3.48Å; S170-C172 VanDerWaalsContact C-N 3.35Å; S170-C172 PolarHBondContact OG-N 2.84Å; S170-C172 PolarHBondContact OG-O 2.94Å; C172-F174 HydrophobicContact CB-CE1 4.5Å; C172-F174 HydrophobicContact CB-CE2 4.26Å; C172-F174 HydrophobicContact CB-CZ 3.94Å; C172-T204 HydrophobicContact CB-CG2 4.39Å
173	T	95.1	Very high	96.4	Very high	106 Å²	106	37.8 Å²	37.8	65%	0.65	22%	0.218	S	C	*	.			trans	-105.5	156.6	167.7	52.5	0	0	0	0	110.8	E167 T277	E167-T173 VanDerWaalsContact OE1-CA 3.23Å; E167-T173 WeakPolarHBondContact OE1-CA 3.25Å; T173-T277 PolarHBondContact O-OG1 3.04Å
174	F	95.4	Very high	96.4	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	22%	0.223	C	C	.	.			trans	-137.3	136	179	-56	-77.2	0	0	0	112.3	R163 V166 E167 C172 T204 A206 F275	R163-F174 WeakPolarHBondContact CD-O 3.45Å; R163-F174 HydrophobicContact CG-CB 4.41Å; V166-F174 HydrophobicContact CG1-CD2 4.34Å; V166-F174 HydrophobicContact CG1-CE2 3.81Å; E167-F174 HydrophobicContact CG-CD2 3.68Å; E167-F174 HydrophobicContact CG-CE2 4.27Å; E167-F174 PolarHBondContact OE1-N 3.2Å; C172-F174 HydrophobicContact CB-CE1 4.5Å; C172-F174 HydrophobicContact CB-CE2 4.26Å; C172-F174 HydrophobicContact CB-CZ 3.94Å; F174-T204 HydrophobicContact CE1-CG2 4.26Å; F174-T204 HydrophobicContact CZ-CG2 4.17Å; F174-A206 HydrophobicContact CE1-CB 4.26Å; F174-A206 HydrophobicContact CE2-CB 4.23Å; F174-A206 HydrophobicContact CZ-CB 3.77Å; F174-F275 HydrophobicContact CB-CB 4.03Å; F174-F275 HydrophobicContact CD1-CB 3.96Å; F174-F275 HydrophobicContact CD2-CB 4.11Å; F174-F275 HydrophobicContact CE1-CB 4.47Å; F174-F275 HydrophobicContact CG-CB 3.75Å
175	N	93.4	Very high	96.3	Very high	29 Å²	29	34 Å²	34	16%	0.155	21%	0.205	C	C	.	.			trans	-123.2	4.2	-178.9	70.3	-2.1	0	0	0	114.1	G138 E139 R276 T277 V278	G138-N175 WeakPolarHBondContact CA-O 3.5Å; E139-N175 PolarHBondContact N-O 3.09Å; N175-R276 PolarHBondContact N-O 2.68Å; N175-T277 WeakPolarHBondContact OD1-CA 3.24Å; N175-V278 PolarHBondContact ND2-O 2.97Å; N175-V278 PolarHBondContact OD1-N 2.95Å; N175-V278 PolarHBondContact OD1-O 2.93Å
176	S	94	Very high	96.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.9	-179.4	-178.3	0	0	0	0	109.9	W136 F275 R276 V278	W136-S176 PolarHBondContact NE1-OG 2.85Å; S176-F275 WeakPolarHBondContact O-CA 3.42Å; S176-R276 PolarHBondContact N-O 3.18Å; S176-R276 PolarHBondContact O-N 3.19Å; S176-R276 VanDerWaalsContact O-O 3.11Å; S176-V278 VanDerWaalsContact CB-CG2 3.47Å
177	L	95.6	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	114.3	-178.4	166.2	58.1	0	0	0	110.1	W136 F137 W155 L159 L273 T274 F275	W136-L177 WeakPolarHBondContact CA-O 3.38Å; F137-L177 PolarHBondContact N-O 3.08Å; F137-L177 PolarHBondContact O-N 3Å; W155-L177 HydrophobicContact CE3-CD2 4.08Å; W155-L177 HydrophobicContact CH2-CB 3.44Å; W155-L177 VanDerWaalsContact CH2-CB 3.44Å; W155-L177 HydrophobicContact CH2-CD2 4.17Å; W155-L177 HydrophobicContact CH2-CG 4.46Å; W155-L177 HydrophobicContact CZ2-CB 4.06Å; W155-L177 HydrophobicContact CZ3-CB 3.8Å; W155-L177 HydrophobicContact CZ3-CD2 3.61Å; W155-L177 HydrophobicContact CZ3-CG 4.37Å; L159-L177 HydrophobicContact CB-CD2 3.85Å; L159-L177 HydrophobicContact CD1-CD2 3.82Å; L159-L177 HydrophobicContact CD2-CD2 3.99Å; L159-L177 HydrophobicContact CG-CD2 4.09Å; L177-L273 HydrophobicContact CD1-CB 3.85Å; L177-L273 HydrophobicContact CD1-CD2 4.38Å; L177-T274 WeakPolarHBondContact CA-O 3.34Å; L177-F275 HydrophobicContact CB-CD1 4.34Å; L177-F275 HydrophobicContact CD1-CD1 4.01Å; L177-F275 HydrophobicContact CD1-CD2 4.43Å; L177-F275 HydrophobicContact CD1-CE1 3.99Å; L177-F275 HydrophobicContact CD1-CE2 4.41Å; L177-F275 HydrophobicContact CD1-CG 4.23Å; L177-F275 HydrophobicContact CD1-CZ 4.19Å; L177-F275 HydrophobicContact CD2-CD1 4.38Å; L177-F275 HydrophobicContact CD2-CE1 3.87Å; L177-F275 HydrophobicContact CD2-CZ 4.39Å; L177-F275 HydrophobicContact CG-CD1 4.46Å; L177-F275 HydrophobicContact CG-CE1 4.38Å
178	L	95.3	Very high	96.2	Very high	10 Å²	10	37 Å²	37	5%	0.052	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	109.6	169.6	-176.7	64.2	0	0	0	109.9	W136 N180 T274	W136-L178 HydrophobicContact CB-CD1 4.15Å; L178-N180 PolarHBondContact O-ND2 3.2Å; L178-T274 PolarHBondContact N-O 3.33Å; L178-T274 PolarHBondContact O-N 2.83Å
179	C	97.2	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.8	172.8	-58.1	0	0	0	0	109.2	L114 W116 T134 C135 L273	L114-C179 HydrophobicContact CD1-CB 4.43Å; W116-C179 HydrophobicContact CH2-CB 3.81Å; W116-C179 HydrophobicContact CZ3-CB 3.76Å; T134-C179 VanDerWaalsContact CA-O 3.24Å; T134-C179 WeakPolarHBondContact CA-O 3.41Å; C135-C179 PolarHBondContact N-O 2.88Å; C135-C179 VanDerWaalsContact N-O 3.12Å; C135-C179 WeakPolarHBondContact O-CB 3.45Å; C135-C179 PolarHBondContact O-N 3.49Å; C135-C179 VanDerWaalsContact SG-CB 3.55Å; C179-L273 HydrophobicContact CB-CD2 4.08Å; C179-L273 WeakPolarHBondContact SG-CD2 3.3Å
180	N	98.3	Very high	96.1	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.027	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.4	175.2	-57.6	-99.5	0	0	0	109.4	R132 L178 Y182 I271 N272	R132-N180 PolarHBondContact NE-OD1 2.73Å; R132-N180 PolarHBondContact NH2-OD1 2.74Å; L178-N180 PolarHBondContact O-ND2 3.2Å; N180-Y182 HydrophobicContact CB-CE2 3.89Å; N180-I271 CarbonylContact O-C 3.37Å; N180-I271 WeakPolarHBondContact O-CA 3.14Å; N180-N272 HydrophobicContact CB-CB 4.29Å; N180-N272 PolarHBondContact N-O 3.18Å; N180-N272 PolarHBondContact O-N 3.05Å
181	L	98.6	Very high	96.2	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.2	173.2	166.3	60	0	0	0	109.2	L111 W116 R132 L133 P269 R270 I271	L111-L181 HydrophobicContact CD1-CD1 3.83Å; L111-L181 HydrophobicContact CD1-CD2 3.62Å; L111-L181 HydrophobicContact CD1-CG 4.41Å; W116-L181 HydrophobicContact CD2-CB 3.84Å; W116-L181 HydrophobicContact CD2-CD2 3.7Å; W116-L181 HydrophobicContact CD2-CG 4.45Å; W116-L181 HydrophobicContact CE3-CB 3.55Å; W116-L181 HydrophobicContact CE3-CD2 4.28Å; W116-L181 HydrophobicContact CG-CD2 3.83Å; W116-L181 HydrophobicContact CH2-CB 3.69Å; W116-L181 HydrophobicContact CZ2-CB 3.95Å; W116-L181 HydrophobicContact CZ2-CD2 4.3Å; W116-L181 HydrophobicContact CZ3-CB 3.48Å; W116-L181 VanDerWaalsContact CZ3-CB 3.48Å; R132-L181 WeakPolarHBondContact CB-O 3.41Å; L133-L181 HydrophobicContact CB-CB 4.22Å; L133-L181 HydrophobicContact CD1-CD2 4.17Å; L133-L181 PolarHBondContact N-O 2.82Å; L133-L181 PolarHBondContact O-N 3.39Å; L181-P269 HydrophobicContact CD1-CB 4.07Å; L181-R270 WeakPolarHBondContact CA-O 3.26Å; L181-I271 HydrophobicContact CB-CG1 4.49Å; L181-I271 HydrophobicContact CD1-CG1 3.95Å
182	Y	98.3	Very high	96.1	Very high	5 Å²	5	32 Å²	32	2%	0.02	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	112.1	168.1	-54.9	-98.9	0	0	0	106.5	R132 N180 D184 D187 I189 V260 P269 R270 N272	R132-Y182 HydrophobicContact CB-CD1 4.26Å; R132-Y182 HydrophobicContact CB-CE1 4.43Å; N180-Y182 HydrophobicContact CB-CE2 3.89Å; Y182-D184 VanDerWaalsContact C-N 3.34Å; Y182-D187 HydrophobicContact CD1-CB 4.12Å; Y182-I189 WeakPolarHBondContact OH-CG2 3.36Å; Y182-V260 HydrophobicContact CD1-CG1 4.42Å; Y182-V260 HydrophobicContact CE1-CB 4Å; Y182-V260 HydrophobicContact CE1-CG1 4.06Å; Y182-P269 CarbonylContact O-C 3.55Å; Y182-P269 VanDerWaalsContact O-CA 3.26Å; Y182-P269 WeakPolarHBondContact O-CA 3.4Å; Y182-R270 PolarHBondContact N-O 2.82Å; Y182-R270 PolarHBondContact O-N 3.45Å; Y182-N272 HydrophobicContact CE2-CB 4Å
183	R	97.8	Very high	96.1	Very high	90 Å²	90	30.3 Å²	30.3	34%	0.34	16%	0.16	S	C	.	.			trans	-67.9	-36.3	-174.9	-66.8	164	-74.4	-154.4	-5.2	112.2	L133 D187 P269	L133-R183 HydrophobicContact CD1-CG 4.25Å; L133-R183 HydrophobicContact CG-CG 4.31Å; R183-D187 WeakPolarHBondContact CB-OD2 3.31Å; R183-D187 WeakPolarHBondContact CG-OD2 3.39Å; R183-D187 IonicContact CZ-OD1 2.74Å; R183-D187 IonicContact CZ-OD2 3.94Å; R183-D187 PolarHBondContact N-OD2 3.43Å; R183-D187 IonicContact NE-OD1 2.86Å; R183-D187 IonicContact NE-OD2 3.97Å; R183-D187 PolarHBondContact NE-OD2 2.85Å; R183-D187 IonicContact NH2-OD1 2.75Å; R183-D187 PolarHBondContact NH2-OD1 3.24Å; R183-D187 IonicContact NH2-OD2 3.08Å; R183-D187 PolarHBondContact NH2-OD2 2.85Å; R183-P269 WeakPolarHBondContact O-CA 3.11Å
184	D	96.9	Very high	96	Very high	53 Å²	53	25.3 Å²	25.3	28%	0.283	13%	0.13	S	C	.	.	S	Bend	trans	-157.6	-167.5	-175.7	68.9	2.9	0	0	0	111.1	Y182 H186 D187 R214	Y182-D184 VanDerWaalsContact C-N 3.34Å; D184-H186 VanDerWaalsContact C-N 3.27Å; D184-H186 PolarHBondContact O-N 3.08Å; D184-H186 WeakPolarHBondContact OD1-CA 3.24Å; D184-H186 WeakPolarHBondContact OD1-CB 3.4Å; D184-H186 IonicContact OD1-CG 3.36Å; D184-H186 PolarHBondContact OD1-N 2.83Å; D184-H186 IonicContact OD1-ND1 3.65Å; D184-H186 IonicContact OD2-CE1 2.7Å; D184-H186 IonicContact OD2-CG 3.74Å; D184-H186 IonicContact OD2-ND1 3.28Å; D184-H186 PolarHBondContact OD2-ND1 2.75Å; D184-D187 PolarHBondContact O-N 2.76Å; D184-D187 PolarHBondContact OD1-N 3.36Å; D184-D187 VanDerWaalsContact OD1-N 3.08Å; D184-R214 PolarHBondContact O-NH1 2.68Å
185	G	95.7	Very high	95.5	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.8	176.2	0	0	0	0	0	114.9	R214 K262 E263	G185-R214 PolarHBondContact O-NH2 2.77Å; G185-K262 CarbonylContact O-C 3.52Å; G185-K262 VanDerWaalsContact O-CA 3.25Å; G185-K262 WeakPolarHBondContact O-CA 3.47Å; G185-E263 CarbonylContact C-O 3.55Å; G185-E263 PolarHBondContact O-N 3.42Å
186	H	96.4	Very high	95.1	Very high	112 Å²	112	25.9 Å²	25.9	52%	0.519	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-22.5	178.8	-51.1	104.3	0	0	0	112.2	D184 K262	D184-H186 VanDerWaalsContact C-N 3.27Å; D184-H186 PolarHBondContact O-N 3.08Å; D184-H186 WeakPolarHBondContact OD1-CA 3.24Å; D184-H186 WeakPolarHBondContact OD1-CB 3.4Å; D184-H186 IonicContact OD1-CG 3.36Å; D184-H186 PolarHBondContact OD1-N 2.83Å; D184-H186 IonicContact OD1-ND1 3.65Å; D184-H186 IonicContact OD2-CE1 2.7Å; D184-H186 IonicContact OD2-CG 3.74Å; D184-H186 IonicContact OD2-ND1 3.28Å; D184-H186 PolarHBondContact OD2-ND1 2.75Å; H186-K262 WeakPolarHBondContact O-CD 3.44Å; H186-K262 WeakPolarHBondContact O-CE 3.18Å; H186-K262 WeakPolarHBondContact O-CG 3.47Å; H186-K262 PolarHBondContact O-NZ 2.79Å
187	D	97.6	Very high	94.4	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.043	14%	0.137	C	C	.	.			trans	-71.9	147.3	167.8	-82.3	-15.7	0	0	0	111.9	P131 R132 Y182 R183 D184 R214	P131-D187 CarbonylContact O-C 3.5Å; P131-D187 WeakPolarHBondContact O-CA 3.35Å; P131-D187 WeakPolarHBondContact O-CB 3.47Å; P131-D187 VanDerWaalsContact O-CG 3.25Å; P131-D187 VanDerWaalsContact O-OD1 3.05Å; R132-D187 HydrophobicContact CB-CB 4.4Å; R132-D187 PolarHBondContact N-OD1 2.7Å; Y182-D187 HydrophobicContact CD1-CB 4.12Å; R183-D187 WeakPolarHBondContact CB-OD2 3.31Å; R183-D187 WeakPolarHBondContact CG-OD2 3.39Å; R183-D187 IonicContact CZ-OD1 2.74Å; R183-D187 IonicContact CZ-OD2 3.94Å; R183-D187 PolarHBondContact N-OD2 3.43Å; R183-D187 IonicContact NE-OD1 2.86Å; R183-D187 IonicContact NE-OD2 3.97Å; R183-D187 PolarHBondContact NE-OD2 2.85Å; R183-D187 IonicContact NH2-OD1 2.75Å; R183-D187 PolarHBondContact NH2-OD1 3.24Å; R183-D187 IonicContact NH2-OD2 3.08Å; R183-D187 PolarHBondContact NH2-OD2 2.85Å; D184-D187 PolarHBondContact O-N 2.76Å; D184-D187 PolarHBondContact OD1-N 3.36Å; D184-D187 VanDerWaalsContact OD1-N 3.08Å; D187-R214 PolarHBondContact O-NH2 3.22Å
188	S	97	Very high	93.8	Very high	13 Å²	13	26.5 Å²	26.5	9%	0.091	14%	0.138	C	C	.	.			trans	-164.9	166	-169.1	52.2	0	0	0	0	112.8	P131 V260 K262	P131-S188 PolarHBondContact O-N 2.95Å; P131-S188 VanDerWaalsContact O-O 3.11Å; S188-V260 CarbonylContact C-O 3.55Å; S188-V260 VanDerWaalsContact CA-O 3.23Å; S188-V260 WeakPolarHBondContact CA-O 3.41Å; S188-V260 WeakPolarHBondContact CB-O 3.14Å; S188-K262 WeakPolarHBondContact OG-CE 3.21Å; S188-K262 WeakPolarHBondContact OG-CG 3.47Å
189	I	96.1	Very high	93.4	Very high	21 Å²	21	26.3 Å²	26.3	11%	0.108	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.1	160.2	-167.7	168	0	0	0	108	Y182 H192 Q259 V260	Y182-I189 WeakPolarHBondContact OH-CG2 3.36Å; I189-H192 VanDerWaalsContact CD1-CE1 3.41Å; I189-H192 WeakPolarHBondContact CD1-CE1 3.25Å; I189-H192 WeakPolarHBondContact CD1-NE2 3.15Å; I189-Q259 WeakPolarHBondContact O-CB 3.33Å; I189-V260 HydrophobicContact CG2-CB 4.04Å; I189-V260 HydrophobicContact CG2-CG2 4.16Å; I189-V260 PolarHBondContact N-O 2.99Å; I189-V260 CarbonylContact O-C 3.42Å; I189-V260 PolarHBondContact O-N 2.58Å; I189-V260 VanDerWaalsContact O-O 3.1Å
190	G	95.5	Very high	92.9	Very high	47 Å²	47	27 Å²	27	49%	0.485	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	180	-176.6	0	0	0	0	0	113.4	H192	G190-H192 PolarHBondContact O-N 3.01Å; G190-H192 PolarHBondContact O-ND1 2.89Å
191	W	96.1	Very high	92.2	Very high	84 Å²	84	30.4 Å²	30.4	32%	0.318	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	116.2	174.9	-65.6	110.6	0	0	0	112.1	S217 R219 Q257 H258 Q259	W191-S217 VanDerWaalsContact CZ3-O 3.26Å; W191-S217 WeakPolarHBondContact CZ3-O 3.19Å; W191-R219 VanDerWaalsContact CD2-CD 3.48Å; W191-R219 HydrophobicContact CD2-CG 4.14Å; W191-R219 HydrophobicContact CE3-CB 4.39Å; W191-R219 HydrophobicContact CE3-CG 3.63Å; W191-R219 VanDerWaalsContact CG-CZ 3.46Å; W191-R219 HydrophobicContact CH2-CB 3.81Å; W191-R219 HydrophobicContact CH2-CG 3.93Å; W191-R219 HydrophobicContact CZ2-CB 4.48Å; W191-R219 HydrophobicContact CZ2-CG 4.41Å; W191-R219 HydrophobicContact CZ3-CB 3.77Å; W191-R219 HydrophobicContact CZ3-CG 3.52Å; W191-Q257 HydrophobicContact CE3-CB 4.24Å; W191-Q257 WeakPolarHBondContact CZ3-O 3.09Å; W191-H258 WeakPolarHBondContact CA-O 3.18Å; W191-Q259 HydrophobicContact CD2-CB 3.97Å; W191-Q259 HydrophobicContact CD2-CG 3.8Å; W191-Q259 HydrophobicContact CE3-CB 3.91Å; W191-Q259 HydrophobicContact CE3-CG 3.78Å; W191-Q259 HydrophobicContact CG-CB 4.39Å; W191-Q259 HydrophobicContact CH2-CG 3.82Å; W191-Q259 VanDerWaalsContact CZ2-CD 3.44Å; W191-Q259 HydrophobicContact CZ2-CG 3.81Å; W191-Q259 VanDerWaalsContact CZ2-NE2 3.3Å; W191-Q259 HydrophobicContact CZ3-CB 4.33Å; W191-Q259 HydrophobicContact CZ3-CG 3.79Å; W191-Q259 VanDerWaalsContact NE1-OE1 3.16Å
192	H	94.4	Very high	91.7	Very high	32 Å²	32	33.4 Å²	33.4	15%	0.148	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	175.1	176.9	65.8	-60.3	0	0	0	110.3	I189 G190 D194 Q257 H258	I189-H192 VanDerWaalsContact CD1-CE1 3.41Å; I189-H192 WeakPolarHBondContact CD1-CE1 3.25Å; I189-H192 WeakPolarHBondContact CD1-NE2 3.15Å; G190-H192 PolarHBondContact O-N 3.01Å; G190-H192 PolarHBondContact O-ND1 2.89Å; H192-D194 IonicContact CD2-OD1 2.74Å; H192-D194 IonicContact NE2-OD1 3.76Å; H192-Q257 CarbonylContact O-C 3.59Å; H192-Q257 WeakPolarHBondContact O-CA 3.21Å; H192-Q257 WeakPolarHBondContact O-CB 3.3Å; H192-H258 AromaticContact CE1-CD2 3.5Å; H192-H258 PolarHBondContact CE1-CD2 2.6Å; H192-H258 VanDerWaalsContact CE1-CD2 3.5Å; H192-H258 AromaticContact CE1-NE2 3.44Å; H192-H258 PolarHBondContact CE1-NE2 3.22Å; H192-H258 PolarHBondContact N-O 2.94Å; H192-H258 PolarHBondContact ND1-O 2.79Å; H192-H258 VanDerWaalsContact ND1-O 3.12Å; H192-H258 AromaticContact NE2-CD2 3.9Å; H192-H258 AromaticContact NE2-NE2 3.34Å; H192-H258 PolarHBondContact NE2-NE2 2.88Å; H192-H258 PolarHBondContact O-N 3.29Å
193	S	94	Very high	91.5	Very high	5 Å²	5	34 Å²	34	4%	0.035	19%	0.189	C	C	.	.			trans	-131.4	149.4	167.5	-54.9	0	0	0	0	106.9	D195 Q221 Q253 W256 Q257	S193-D195 VanDerWaalsContact C-N 3.28Å; S193-D195 PolarHBondContact O-N 2.93Å; S193-D195 VanDerWaalsContact O-N 3.12Å; S193-Q221 PolarHBondContact OG-NE2 2.84Å; S193-Q253 VanDerWaalsContact CB-O 3.22Å; S193-Q253 WeakPolarHBondContact CB-O 3.42Å; S193-Q253 PolarHBondContact OG-O 2.94Å; S193-W256 PolarHBondContact OG-O 2.77Å; S193-Q257 VanDerWaalsContact OG-CG 3.26Å; S193-Q257 WeakPolarHBondContact OG-CG 3.22Å
194	D	91.7	Very high	91.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	18%	0.184	C	C	.	.			trans	-85.3	74.5	173.1	-76.8	-8.8	0	0	0	108.7	H192 L199 I205 Q253 R276	H192-D194 IonicContact CD2-OD1 2.74Å; H192-D194 IonicContact NE2-OD1 3.76Å; D194-L199 HydrophobicContact CB-CD1 4.06Å; D194-L199 WeakPolarHBondContact O-CD1 3.43Å; D194-I205 HydrophobicContact CB-CD1 3.27Å; D194-I205 WeakPolarHBondContact OD2-CD1 3.44Å; D194-Q253 HydrophobicContact CB-CG 4.25Å; D194-Q253 VanDerWaalsContact N-OE1 3.07Å; D194-Q253 WeakPolarHBondContact O-CB 3.16Å; D194-Q253 WeakPolarHBondContact O-CG 3.46Å; D194-R276 IonicContact OD1-CZ 3.73Å; D194-R276 IonicContact OD1-NH2 2.66Å; D194-R276 PolarHBondContact OD1-NH2 3.25Å; D194-R276 IonicContact OD2-CZ 2.75Å; D194-R276 IonicContact OD2-NE 3.88Å; D194-R276 PolarHBondContact OD2-NE 3.39Å; D194-R276 IonicContact OD2-NH2 3.98Å; D194-R276 PolarHBondContact OD2-NH2 3.39Å
195	D	85.3	Confident	91.5	Very high	29 Å²	29	29 Å²	29	16%	0.155	17%	0.17	C	C	.	.			trans	-117.4	28.3	-172.1	66.6	-8.4	0	0	0	113	S193 K290	S193-D195 VanDerWaalsContact C-N 3.28Å; S193-D195 PolarHBondContact O-N 2.93Å; S193-D195 VanDerWaalsContact O-N 3.12Å; D195-K290 WeakPolarHBondContact O-CA 3.3Å; D195-K290 IonicContact OD1-NZ 3.64Å; D195-K290 PolarHBondContact OD1-NZ 3.24Å; D195-K290 WeakPolarHBondContact OD2-CD 3.39Å; D195-K290 IonicContact OD2-NZ 3.69Å; D195-K290 PolarHBondContact OD2-NZ 2.76Å
196	E	84.5	Confident	91.6	Very high	16 Å²	16	28.8 Å²	28.8	8%	0.075	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-65.3	133.4	172.7	-61.7	102.5	-146.5	0	0	111.1	Y142 Y144 S198 L199	Y142-E196 WeakPolarHBondContact CE2-OE2 3.25Å; Y142-E196 PolarHBondContact OH-OE2 3.43Å; Y144-E196 VanDerWaalsContact CD2-OE1 3.3Å; Y144-E196 WeakPolarHBondContact CD2-OE1 3.4Å; Y144-E196 WeakPolarHBondContact CE2-OE1 3.26Å; E196-S198 PolarHBondContact O-N 3.12Å; E196-L199 HydrophobicContact CB-CG 4.34Å; E196-L199 WeakPolarHBondContact O-CB 3.23Å; E196-L199 PolarHBondContact O-N 2.8Å
197	A	80.1	Confident	91.7	Very high	11 Å²	11	23.6 Å²	23.6	9%	0.091	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-55.1	-25.5	-178.3	0	0	0	0	0	115	L199 G200 T289 M291	A197-L199 VanDerWaalsContact C-N 3.27Å; A197-L199 PolarHBondContact O-N 3.44Å; A197-G200 PolarHBondContact O-N 3.31Å; A197-T289 VanDerWaalsContact CB-O 3.25Å; A197-T289 WeakPolarHBondContact CB-O 3.3Å; A197-T289 PolarHBondContact N-O 3.16Å; A197-T289 VanDerWaalsContact N-O 3.13Å; A197-M291 HydrophobicContact CB-CB 4Å; A197-M291 HydrophobicContact CB-CE 3.77Å; A197-M291 HydrophobicContact CB-CG 3.85Å
198	S	83.3	Confident	91.8	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.028	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-74.1	-12.5	177.6	57.9	0	0	0	0	113.9	E196 G200 V278 H279	E196-S198 PolarHBondContact O-N 3.12Å; S198-G200 VanDerWaalsContact C-N 3.31Å; S198-V278 CarbonylContact O-C 3.54Å; S198-V278 WeakPolarHBondContact O-CA 3.33Å; S198-H279 PolarHBondContact O-N 3.49Å
199	L	87	Confident	91.8	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.031	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-81.1	-11.1	171.9	-57.5	-179.3	0	0	0	113	D194 E196 A197 P203 I205 R276 T277 V278	D194-L199 HydrophobicContact CB-CD1 4.06Å; D194-L199 WeakPolarHBondContact O-CD1 3.43Å; E196-L199 HydrophobicContact CB-CG 4.34Å; E196-L199 WeakPolarHBondContact O-CB 3.23Å; E196-L199 PolarHBondContact O-N 2.8Å; A197-L199 VanDerWaalsContact C-N 3.27Å; A197-L199 PolarHBondContact O-N 3.44Å; L199-P203 HydrophobicContact CB-CB 3.93Å; L199-P203 HydrophobicContact CB-CG 4.06Å; L199-P203 HydrophobicContact CD1-CG 4.48Å; L199-I205 HydrophobicContact CD1-CD1 4.19Å; L199-R276 HydrophobicContact CD2-CB 3.97Å; L199-R276 HydrophobicContact CD2-CG 4.48Å; L199-T277 WeakPolarHBondContact CD2-O 3.46Å; L199-V278 HydrophobicContact CD2-CG2 3.99Å
200	G	86.3	Confident	92	Very high	13 Å²	13	21.6 Å²	21.6	13%	0.134	13%	0.134	C	C	.	.			trans	73.2	-172.7	-177	0	0	0	0	0	114	A197 S198 F293	A197-G200 PolarHBondContact O-N 3.31Å; S198-G200 VanDerWaalsContact C-N 3.31Å; G200-F293 VanDerWaalsContact C-CE2 3.49Å
201	P	83.7	Confident	92.1	Very high	78 Å²	78	20 Å²	20	51%	0.506	12%	0.117	S	C	.	.	S	Bend	trans	-74.6	138.1	178.6	30.2	-34.1	0	0	0	112	F293	P201-F293 HydrophobicContact CB-CB 3.99Å; P201-F293 HydrophobicContact CB-CD1 4.15Å; P201-F293 HydrophobicContact CB-CD2 3.9Å; P201-F293 HydrophobicContact CB-CE2 4.38Å; P201-F293 HydrophobicContact CB-CG 3.76Å
202	T	88.4	Confident	92.2	Very high	70 Å²	70	18.2 Å²	18.2	43%	0.429	11%	0.114	S	C	.	.	S	Bend	trans	47.3	57.2	174.8	54.3	0	0	0	0	114.6	G250	T202-G250 WeakPolarHBondContact CA-O 3.46Å; T202-G250 WeakPolarHBondContact CB-O 3.41Å
203	P	93.9	Very high	92.3	Very high	18 Å²	18	18.8 Å²	18.8	12%	0.117	12%	0.119	C	C	.	.			trans	-68.4	133.8	-171.7	28.1	-35.6	0	0	0	113.1	L199 I205 Q253	L199-P203 HydrophobicContact CB-CB 3.93Å; L199-P203 HydrophobicContact CB-CG 4.06Å; L199-P203 HydrophobicContact CD1-CG 4.48Å; P203-I205 HydrophobicContact CB-CG1 4.31Å; P203-I205 HydrophobicContact CG-CD1 4.35Å; P203-Q253 HydrophobicContact CG-CG 4.12Å
204	T	96.4	Very high	92.5	Very high	36 Å²	36	18.6 Å²	18.6	22%	0.221	12%	0.118	C	C	.	.			trans	-74.3	125.5	163.2	-67.6	0	0	0	0	109.4	C172 F174 L247 E249	C172-T204 HydrophobicContact CB-CG2 4.39Å; F174-T204 HydrophobicContact CE1-CG2 4.26Å; F174-T204 HydrophobicContact CZ-CG2 4.17Å; T204-L247 HydrophobicContact CG2-CD2 4.46Å; T204-E249 HydrophobicContact CG2-CG 3.8Å; T204-E249 WeakPolarHBondContact CG2-OE1 3.44Å; T204-E249 PolarHBondContact OG1-OE1 3.45Å
205	I	97.8	Very high	92.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.7	179.8	-59.9	-176	0	0	0	108.9	D194 L199 P203 L247 M248 Q253 T274 R276	D194-I205 HydrophobicContact CB-CD1 3.27Å; D194-I205 WeakPolarHBondContact OD2-CD1 3.44Å; L199-I205 HydrophobicContact CD1-CD1 4.19Å; P203-I205 HydrophobicContact CB-CG1 4.31Å; P203-I205 HydrophobicContact CG-CD1 4.35Å; I205-L247 CarbonylContact O-C 3.47Å; I205-L247 WeakPolarHBondContact O-CA 3.45Å; I205-M248 HydrophobicContact CB-CE 4.14Å; I205-M248 HydrophobicContact CG2-CE 3.75Å; I205-M248 PolarHBondContact N-O 3.1Å; I205-M248 PolarHBondContact O-N 3.29Å; I205-Q253 HydrophobicContact CD1-CG 4.11Å; I205-T274 HydrophobicContact CG2-CG2 3.52Å; I205-R276 HydrophobicContact CD1-CG 4.36Å; I205-R276 HydrophobicContact CG1-CG 4.2Å; I205-R276 HydrophobicContact CG2-CG 4.05Å
206	A	98.4	Very high	93.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.1	179.7	0	0	0	0	0	110.6	V166 F174 L245 L247 T274 F275	V166-A206 HydrophobicContact CG1-CB 3.46Å; V166-A206 VanDerWaalsContact CG1-CB 3.46Å; F174-A206 HydrophobicContact CE1-CB 4.26Å; F174-A206 HydrophobicContact CE2-CB 4.23Å; F174-A206 HydrophobicContact CZ-CB 3.77Å; A206-L245 HydrophobicContact CB-CD1 4.16Å; A206-L247 HydrophobicContact CB-CD2 4.34Å; A206-L247 HydrophobicContact CB-CG 4.29Å; A206-T274 CarbonylContact O-C 3.52Å; A206-T274 WeakPolarHBondContact O-CA 3.48Å; A206-F275 HydrophobicContact CB-CB 4.33Å; A206-F275 PolarHBondContact N-O 3.41Å; A206-F275 VanDerWaalsContact N-O 3.09Å; A206-F275 PolarHBondContact O-N 3.34Å
207	S	98.5	Very high	94.1	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	107.3	-174.6	-172.6	0	0	0	0	110	L246 N272 L273	S207-L246 PolarHBondContact N-O 3.44Å; S207-L246 PolarHBondContact O-N 3.5Å; S207-N272 PolarHBondContact OG-ND2 3.36Å; S207-N272 PolarHBondContact OG-OD1 3.25Å; S207-L273 WeakPolarHBondContact CA-O 3.27Å
208	L	98.7	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.9	178.4	175.1	59.9	0	0	0	110.4	F97 L98 L162 L245 N272 L273 F275	F97-L208 HydrophobicContact CD1-CD1 3.84Å; F97-L208 HydrophobicContact CE1-CD1 4.38Å; F97-L208 HydrophobicContact CE1-CD2 4.39Å; L98-L208 HydrophobicContact CD1-CD1 4.26Å; L98-L208 HydrophobicContact CD1-CD2 4.25Å; L162-L208 HydrophobicContact CB-CD2 4.45Å; L162-L208 HydrophobicContact CD1-CD2 4.1Å; L162-L208 HydrophobicContact CD2-CD2 3.64Å; L162-L208 HydrophobicContact CG-CD2 4.29Å; L208-L245 HydrophobicContact CB-CD1 4.4Å; L208-L245 HydrophobicContact CD1-CB 4.44Å; L208-N272 WeakPolarHBondContact O-CA 3.26Å; L208-L273 HydrophobicContact CB-CB 4.34Å; L208-L273 HydrophobicContact CD2-CD1 4.35Å; L208-L273 PolarHBondContact N-O 3.13Å; L208-L273 PolarHBondContact O-N 2.81Å; L208-F275 HydrophobicContact CB-CE2 4.22Å
209	S	98.7	Very high	95.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.3	-174.7	-57.9	0	0	0	0	112.4	L240 S241 G243 T244 R270	S209-L240 WeakPolarHBondContact OG-CB 3.45Å; S209-S241 WeakPolarHBondContact CB-O 3.49Å; S209-G243 PolarHBondContact O-N 2.74Å; S209-T244 PolarHBondContact N-O 2.54Å; S209-R270 PolarHBondContact OG-NH2 2.74Å
210	L	98.6	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.9	179.1	-65.4	173.5	0	0	0	110	L98 A103 M106 F107 L110 H242 R270 I271 L273	L98-L210 HydrophobicContact CD1-CD2 3.83Å; A103-L210 HydrophobicContact CB-CD2 3.86Å; M106-L210 HydrophobicContact CB-CD1 4.38Å; F107-L210 HydrophobicContact CB-CB 4.14Å; F107-L210 HydrophobicContact CD2-CB 3.81Å; F107-L210 HydrophobicContact CG-CB 4.42Å; L110-L210 HydrophobicContact CD1-CD1 4.04Å; L210-H242 WeakPolarHBondContact CA-ND1 3.34Å; L210-R270 CarbonylContact O-C 3.52Å; L210-R270 WeakPolarHBondContact O-CA 3.32Å; L210-I271 HydrophobicContact CB-CB 4.23Å; L210-I271 PolarHBondContact N-O 3.02Å; L210-I271 PolarHBondContact O-N 2.89Å; L210-L273 HydrophobicContact CD1-CD1 4.48Å
211	G	98.2	Very high	96.3	Very high	14 Å²	14	22.9 Å²	22.9	14%	0.144	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.8	-150.6	-175.9	0	0	0	0	0	113.1	H242	G211-H242 PolarHBondContact N-ND1 3.32Å
212	D	97.8	Very high	96.7	Very high	45 Å²	45	20.4 Å²	20.4	24%	0.241	12%	0.118	C	C	.	.	S	Bend	trans	-66.5	147.2	-171.3	-166.4	5.1	0	0	0	113.1	R267 G268 P269 R270	D212-R267 IonicContact OD1-NH1 2.69Å; D212-R267 PolarHBondContact OD1-NH1 3.13Å; D212-R267 VanDerWaalsContact OD1-NH1 3.15Å; D212-R267 VanDerWaalsContact OD2-CA 3.25Å; D212-R267 WeakPolarHBondContact OD2-CA 3.21Å; D212-R267 WeakPolarHBondContact OD2-CD 3.44Å; D212-R267 IonicContact OD2-NH1 3.16Å; D212-G268 PolarHBondContact OD2-N 3.22Å; D212-P269 PolarHBondContact N-O 3.3Å; D212-R270 WeakPolarHBondContact O-CB 3.41Å; D212-R270 VanDerWaalsContact O-CD 3.29Å; D212-R270 WeakPolarHBondContact O-CD 3.43Å; D212-R270 WeakPolarHBondContact O-CG 3.35Å
213	T	97.8	Very high	96.6	Very high	44 Å²	44	19.8 Å²	19.8	27%	0.27	12%	0.116	S	C	.	.			trans	-72.6	126.9	-177.3	-57.5	0	0	0	0	110.6	P239 L240 S241 R267	T213-P239 HydrophobicContact CG2-CB 3.89Å; T213-L240 WeakPolarHBondContact CA-O 3.18Å; T213-S241 WeakPolarHBondContact OG1-CA 3.4Å; T213-S241 VanDerWaalsContact OG1-CB 3.32Å; T213-S241 WeakPolarHBondContact OG1-CB 3.33Å; T213-R267 PolarHBondContact O-NH1 3.35Å; T213-R267 PolarHBondContact O-NH2 2.99Å
214	R	97.9	Very high	96.1	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.5	176.9	-63.6	-67.1	-65.9	-83.9	-1	111.6	D184 G185 D187 F216 L240 V260 A261 E263 R270	D184-R214 PolarHBondContact O-NH1 2.68Å; G185-R214 PolarHBondContact O-NH2 2.77Å; D187-R214 PolarHBondContact O-NH2 3.22Å; R214-F216 PolarHBondContact O-N 2.85Å; R214-L240 PolarHBondContact N-O 2.82Å; R214-L240 PolarHBondContact O-N 2.77Å; R214-V260 HydrophobicContact CB-CG1 3.97Å; R214-A261 PolarHBondContact NH2-O 3.07Å; R214-E263 VanDerWaalsContact CD-OE1 3.25Å; R214-E263 WeakPolarHBondContact CD-OE1 3.49Å; R214-E263 IonicContact CZ-OE1 3.68Å; R214-E263 IonicContact NE-OE1 2.85Å; R214-E263 PolarHBondContact NE-OE1 2.97Å; R214-R270 HydrophobicContact CG-CB 4.28Å; R214-R270 VanDerWaalsContact CG-CD 3.44Å; R214-R270 HydrophobicContact CG-CG 4.48Å
215	A	97.2	Very high	95.4	Very high	21 Å²	21	30.1 Å²	30.1	17%	0.174	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.4	178.1	0	0	0	0	0	111.4	R237 E263	A215-R237 HydrophobicContact CB-CG 4.13Å; A215-E263 PolarHBondContact N-OE1 2.83Å
216	F	98.4	Very high	94.8	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	111.7	164.4	-172.3	-98.4	0	0	0	108.1	R214 L218 I238 L240 L246 M248 H258 V260	R214-F216 PolarHBondContact O-N 2.85Å; F216-L218 HydrophobicContact CD1-CD1 3.82Å; F216-L218 HydrophobicContact CD1-CG 4.22Å; F216-L218 HydrophobicContact CE1-CD1 3.83Å; F216-L218 HydrophobicContact CE1-CD2 4.13Å; F216-L218 HydrophobicContact CE1-CG 3.82Å; F216-I238 HydrophobicContact CB-CB 4.43Å; F216-I238 PolarHBondContact N-O 3.02Å; F216-I238 PolarHBondContact O-N 2.9Å; F216-L240 HydrophobicContact CB-CD1 3.63Å; F216-L240 HydrophobicContact CB-CG 3.88Å; F216-L240 HydrophobicContact CD2-CD1 4.07Å; F216-L240 HydrophobicContact CG-CD1 3.88Å; F216-L246 HydrophobicContact CD1-CD2 3.86Å; F216-L246 HydrophobicContact CE1-CD2 3.77Å; F216-L246 HydrophobicContact CZ-CD2 4.39Å; F216-M248 HydrophobicContact CE1-SD 4.06Å; F216-M248 HydrophobicContact CZ-CE 4.31Å; F216-M248 HydrophobicContact CZ-SD 3.66Å; F216-H258 HydrophobicContact CE1-CB 3.89Å; F216-H258 HydrophobicContact CE2-CB 4.05Å; F216-H258 AromaticContact CE2-CD2 3.38Å; F216-H258 WeakPolarHBondContact CE2-CD2 3.24Å; F216-H258 AromaticContact CE2-CG 3.91Å; F216-H258 HydrophobicContact CZ-CB 3.49Å; F216-H258 VanDerWaalsContact CZ-CB 3.49Å; F216-H258 AromaticContact CZ-CD2 3.39Å; F216-H258 WeakPolarHBondContact CZ-CD2 3.39Å; F216-H258 AromaticContact CZ-CG 3.46Å; F216-H258 VanDerWaalsContact CZ-CG 3.46Å; F216-V260 HydrophobicContact CD2-CG2 4.07Å
217	S	98.4	Very high	94.1	Very high	15 Å²	15	38.7 Å²	38.7	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.5	179.8	-62.5	0	0	0	0	109.9	W191 I236 H258 Q259	W191-S217 VanDerWaalsContact CZ3-O 3.26Å; W191-S217 WeakPolarHBondContact CZ3-O 3.19Å; S217-I236 CarbonylContact C-O 3.59Å; S217-I236 WeakPolarHBondContact CA-O 3.39Å; S217-H258 CarbonylContact O-C 3.57Å; S217-H258 WeakPolarHBondContact O-CA 3.39Å; S217-Q259 PolarHBondContact N-O 2.68Å; S217-Q259 PolarHBondContact O-N 3.2Å
218	L	98.3	Very high	93.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.8	166.9	-49.1	93.2	0	0	0	110.5	I81 L91 F216 R235 I236 I238 T252 W256 Q257 H258	I81-L218 HydrophobicContact CD1-CD2 4.39Å; L91-L218 HydrophobicContact CD1-CD1 4.04Å; L91-L218 HydrophobicContact CD1-CD2 4.09Å; L91-L218 HydrophobicContact CD2-CD2 4.22Å; F216-L218 HydrophobicContact CD1-CD1 3.82Å; F216-L218 HydrophobicContact CD1-CG 4.22Å; F216-L218 HydrophobicContact CE1-CD1 3.83Å; F216-L218 HydrophobicContact CE1-CD2 4.13Å; F216-L218 HydrophobicContact CE1-CG 3.82Å; L218-R235 WeakPolarHBondContact O-CA 3.37Å; L218-I236 HydrophobicContact CB-CB 4.32Å; L218-I236 HydrophobicContact CD1-CB 3.99Å; L218-I236 HydrophobicContact CD1-CG2 3.87Å; L218-I236 PolarHBondContact N-O 2.7Å; L218-I236 PolarHBondContact O-N 3.45Å; L218-I238 HydrophobicContact CD1-CD1 4.03Å; L218-I238 HydrophobicContact CD1-CG1 4.18Å; L218-T252 HydrophobicContact CD2-CG2 4.47Å; L218-W256 HydrophobicContact CB-CE3 3.78Å; L218-W256 HydrophobicContact CB-CZ3 4.37Å; L218-Q257 CarbonylContact C-O 3.6Å; L218-Q257 VanDerWaalsContact CA-O 3.28Å; L218-Q257 WeakPolarHBondContact CA-O 3.28Å; L218-H258 HydrophobicContact CG-CB 4.16Å
219	R	97.1	Very high	93.1	Very high	41 Å²	41	43.6 Å²	43.6	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137	168.1	71.2	-172.3	-176.3	165.1	5.5	109	W191 Y230 V233 E234 R235 W256 Q257	W191-R219 VanDerWaalsContact CD2-CD 3.48Å; W191-R219 HydrophobicContact CD2-CG 4.14Å; W191-R219 HydrophobicContact CE3-CB 4.39Å; W191-R219 HydrophobicContact CE3-CG 3.63Å; W191-R219 VanDerWaalsContact CG-CZ 3.46Å; W191-R219 HydrophobicContact CH2-CB 3.81Å; W191-R219 HydrophobicContact CH2-CG 3.93Å; W191-R219 HydrophobicContact CZ2-CB 4.48Å; W191-R219 HydrophobicContact CZ2-CG 4.41Å; W191-R219 HydrophobicContact CZ3-CB 3.77Å; W191-R219 HydrophobicContact CZ3-CG 3.52Å; R219-Y230 VanDerWaalsContact CD-CD1 3.45Å; R219-Y230 HydrophobicContact CG-CD1 3.95Å; R219-Y230 HydrophobicContact CG-CE1 4.14Å; R219-Y230 VanDerWaalsContact NE-CD1 3.33Å; R219-Y230 VanDerWaalsContact NE-CE1 3.28Å; R219-V233 HydrophobicContact CB-CG2 4.25Å; R219-E234 WeakPolarHBondContact CA-O 3.36Å; R219-R235 HydrophobicContact CB-CG 4.22Å; R219-W256 WeakPolarHBondContact O-CA 3.31Å; R219-Q257 HydrophobicContact CG-CB 4.09Å; R219-Q257 PolarHBondContact N-O 3.44Å; R219-Q257 VanDerWaalsContact NE-OE1 3.08Å; R219-Q257 PolarHBondContact O-N 3.44Å
220	K	95.6	Very high	92.8	Very high	49 Å²	49	46.3 Å²	46.3	21%	0.213	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145.2	174.5	-154	174	-166.1	176	0	109.2	V233 E234 W256	K220-V233 HydrophobicContact CB-CB 4.3Å; K220-V233 WeakPolarHBondContact O-CB 3.18Å; K220-V233 WeakPolarHBondContact O-CG2 3.45Å; K220-E234 HydrophobicContact CB-CB 4.25Å; K220-E234 HydrophobicContact CD-CB 4.37Å; K220-E234 HydrophobicContact CD-CG 4.36Å; K220-E234 WeakPolarHBondContact CD-OE1 3.48Å; K220-E234 PolarHBondContact N-O 2.93Å; K220-E234 IonicContact NZ-OE1 2.7Å; K220-E234 PolarHBondContact NZ-OE1 3.04Å; K220-W256 HydrophobicContact CB-CD2 4.08Å; K220-W256 HydrophobicContact CB-CE3 4.03Å; K220-W256 HydrophobicContact CB-CH2 4.03Å; K220-W256 HydrophobicContact CB-CZ2 4.07Å; K220-W256 HydrophobicContact CB-CZ3 4.01Å; K220-W256 HydrophobicContact CD-CZ2 4Å; K220-W256 HydrophobicContact CG-CD2 4.19Å; K220-W256 HydrophobicContact CG-CH2 4.44Å; K220-W256 HydrophobicContact CG-CZ2 3.98Å
221	Q	92.8	Very high	92.4	Very high	36 Å²	36	49.1 Å²	49.1	17%	0.168	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69	137.8	172	-62.8	-169	30.3	0	0	108.9	S193 D254 D255 Q257	S193-Q221 PolarHBondContact OG-NE2 2.84Å; Q221-D254 PolarHBondContact NE2-O 2.86Å; Q221-D254 PolarHBondContact OE1-O 3.32Å; Q221-D255 PolarHBondContact N-O 2.84Å; Q221-Q257 HydrophobicContact CG-CG 4.19Å
222	P	91.4	Very high	92	Very high	26 Å²	26	52.2 Å²	52.2	17%	0.169	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63.6	150.3	177.8	23.9	-32.7	0	0	0	110.9	D226 Y230 V233	P222-D226 HydrophobicContact CB-CB 3.7Å; P222-Y230 HydrophobicContact CG-CD1 4.47Å; P222-Y230 HydrophobicContact CG-CD2 4.3Å; P222-Y230 HydrophobicContact CG-CE1 4.18Å; P222-Y230 HydrophobicContact CG-CE2 3.94Å; P222-V233 HydrophobicContact CB-CG1 4.08Å
223	S	85.9	Confident	91.7	Very high	57 Å²	57	50.5 Å²	50.5	40%	0.399	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-66.9	168.1	172.2	71.4	0	0	0	0	111.2	E225 D226	S223-E225 PolarHBondContact O-N 2.96Å; S223-E225 PolarHBondContact OG-N 3.2Å; S223-D226 VanDerWaalsContact CB-OD2 3.3Å; S223-D226 WeakPolarHBondContact CB-OD2 3.49Å; S223-D226 PolarHBondContact N-OD2 3.46Å; S223-D226 PolarHBondContact O-N 2.8Å; S223-D226 VanDerWaalsContact OG-CG 3.24Å; S223-D226 PolarHBondContact OG-N 3.4Å; S223-D226 VanDerWaalsContact OG-N 3.13Å; S223-D226 PolarHBondContact OG-OD2 3.34Å
224	A	83.6	Confident	91.6	Very high	97 Å²	97	50.9 Å²	50.9	80%	0.802	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.4	171.1	0	0	0	0	0	112.2	N227	A224-N227 PolarHBondContact O-N 2.8Å
225	E	83.3	Confident	91.6	Very high	174 Å²	174	55.1 Å²	55.1	81%	0.813	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.9	178.8	-60.3	178.3	-163.7	0	0	112.3	S223 N227	S223-E225 PolarHBondContact O-N 2.96Å; S223-E225 PolarHBondContact OG-N 3.2Å; E225-N227 PolarHBondContact O-N 3.49Å; E225-N227 VanDerWaalsContact O-N 3.17Å; E225-N227 PolarHBondContact O-ND2 3.1Å
226	D	83.9	Confident	91.6	Very high	30 Å²	30	54.2 Å²	54.2	16%	0.16	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.8	175	-64.5	-62.8	0	0	0	112.8	R65 P222 S223 G228 D229	R65-D226 IonicContact CZ-OD1 2.69Å; R65-D226 IonicContact NH1-OD1 2.58Å; R65-D226 PolarHBondContact NH1-OD1 2.88Å; R65-D226 IonicContact NH2-OD1 2.68Å; R65-D226 PolarHBondContact NH2-OD1 2.87Å; P222-D226 HydrophobicContact CB-CB 3.7Å; S223-D226 VanDerWaalsContact CB-OD2 3.3Å; S223-D226 WeakPolarHBondContact CB-OD2 3.49Å; S223-D226 PolarHBondContact N-OD2 3.46Å; S223-D226 PolarHBondContact O-N 2.8Å; S223-D226 VanDerWaalsContact OG-CG 3.24Å; S223-D226 PolarHBondContact OG-N 3.4Å; S223-D226 VanDerWaalsContact OG-N 3.13Å; S223-D226 PolarHBondContact OG-OD2 3.34Å; D226-G228 PolarHBondContact O-N 2.9Å; D226-D229 VanDerWaalsContact O-CB 3.3Å; D226-D229 WeakPolarHBondContact O-CB 3.41Å; D226-D229 PolarHBondContact O-N 2.88Å
227	N	84.2	Confident	91.6	Very high	150 Å²	150	57.4 Å²	57.4	80%	0.802	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	28.7	176.4	-75.8	-89.8	0	0	0	114.8	A224 E225	A224-N227 PolarHBondContact O-N 2.8Å; E225-N227 PolarHBondContact O-N 3.49Å; E225-N227 VanDerWaalsContact O-N 3.17Å; E225-N227 PolarHBondContact O-ND2 3.1Å
228	G	86.8	Confident	91.6	Very high	43 Å²	43	56.8 Å²	56.8	44%	0.443	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	6.6	-177.2	0	0	0	0	0	115.5	D226 Y230	D226-G228 PolarHBondContact O-N 2.9Å; G228-Y230 WeakPolarHBondContact O-CD2 3.41Å; G228-Y230 WeakPolarHBondContact O-CE2 3.46Å; G228-Y230 PolarHBondContact O-N 2.77Å
229	D	89.8	Confident	91.6	Very high	61 Å²	61	58.3 Å²	58.3	33%	0.326	31%	0.31	S	S	.	.			trans	-76.2	109.8	178.4	-175.8	18.4	0	0	0	113	D226 T231 Y232	D226-D229 VanDerWaalsContact O-CB 3.3Å; D226-D229 WeakPolarHBondContact O-CB 3.41Å; D226-D229 PolarHBondContact O-N 2.88Å; D229-T231 VanDerWaalsContact C-N 3.26Å; D229-T231 PolarHBondContact O-N 2.81Å; D229-T231 WeakPolarHBondContact OD1-CB 3.47Å; D229-T231 PolarHBondContact OD1-N 2.85Å; D229-T231 PolarHBondContact OD1-OG1 2.81Å; D229-T231 WeakPolarHBondContact OD2-CB 3.47Å; D229-Y232 WeakPolarHBondContact OD2-CD2 3.42Å; D229-Y232 WeakPolarHBondContact OD2-CE2 3.31Å
230	Y	92.1	Very high	91.7	Very high	59 Å²	59	56.3 Å²	56.3	23%	0.231	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	10.8	174.4	-65.6	-96.4	0	0	0	113.5	R219 P222 G228 V233 R235 Q257	R219-Y230 VanDerWaalsContact CD-CD1 3.45Å; R219-Y230 HydrophobicContact CG-CD1 3.95Å; R219-Y230 HydrophobicContact CG-CE1 4.14Å; R219-Y230 VanDerWaalsContact NE-CD1 3.33Å; R219-Y230 VanDerWaalsContact NE-CE1 3.28Å; P222-Y230 HydrophobicContact CG-CD1 4.47Å; P222-Y230 HydrophobicContact CG-CD2 4.3Å; P222-Y230 HydrophobicContact CG-CE1 4.18Å; P222-Y230 HydrophobicContact CG-CE2 3.94Å; G228-Y230 WeakPolarHBondContact O-CD2 3.41Å; G228-Y230 WeakPolarHBondContact O-CE2 3.46Å; G228-Y230 PolarHBondContact O-N 2.77Å; Y230-V233 HydrophobicContact CD1-CG2 4.22Å; Y230-R235 PolarHBondContact O-NH2 2.75Å; Y230-Q257 PolarHBondContact OH-NE2 3.05Å; Y230-Q257 PolarHBondContact OH-OE1 3.41Å
231	T	89	Confident	91.8	Very high	59 Å²	59	56 Å²	56	36%	0.362	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-40.8	180	-59	0	0	0	0	112.3	V67 D229	V67-T231 HydrophobicContact CG2-CG2 4.15Å; D229-T231 VanDerWaalsContact C-N 3.26Å; D229-T231 PolarHBondContact O-N 2.81Å; D229-T231 WeakPolarHBondContact OD1-CB 3.47Å; D229-T231 PolarHBondContact OD1-N 2.85Å; D229-T231 PolarHBondContact OD1-OG1 2.81Å; D229-T231 WeakPolarHBondContact OD2-CB 3.47Å
232	Y	90.3	Very high	92	Very high	78 Å²	78	56.6 Å²	56.6	31%	0.306	31%	0.309	S	S	.	.	S	Bend	trans	-115.9	20.4	-172.1	-47.9	-85.2	0	0	0	114.2	R65 V67 D229	R65-Y232 HydrophobicContact CB-CD1 4.01Å; R65-Y232 HydrophobicContact CB-CE1 4.1Å; R65-Y232 HydrophobicContact CG-CD1 3.77Å; R65-Y232 HydrophobicContact CG-CE1 4.38Å; R65-Y232 HydrophobicContact CG-CG 4.03Å; R65-Y232 VanDerWaalsContact CZ-CB 3.45Å; R65-Y232 PolarHBondContact NH2-O 3.18Å; R65-Y232 WeakPolarHBondContact O-CE1 3.45Å; V67-Y232 HydrophobicContact CG2-CD1 4Å; V67-Y232 HydrophobicContact CG2-CE1 4.04Å; D229-Y232 WeakPolarHBondContact OD2-CD2 3.42Å; D229-Y232 WeakPolarHBondContact OD2-CE2 3.31Å
233	V	92.8	Very high	92.4	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	30%	0.302	C	S	.	.	S	Bend	trans	-81.3	154.9	172.7	-58.2	0	0	0	0	111	R219 K220 P222 Y230	R219-V233 HydrophobicContact CB-CG2 4.25Å; K220-V233 HydrophobicContact CB-CB 4.3Å; K220-V233 WeakPolarHBondContact O-CB 3.18Å; K220-V233 WeakPolarHBondContact O-CG2 3.45Å; P222-V233 HydrophobicContact CB-CG1 4.08Å; Y230-V233 HydrophobicContact CD1-CG2 4.22Å
234	E	95.1	Very high	93	Very high	52 Å²	52	52.8 Å²	52.8	24%	0.243	28%	0.283	C	S	.	.			trans	-64.1	145.3	171.7	-59	-176.7	-100.3	0	0	111.2	K71 R219 K220 W256	K71-E234 IonicContact NZ-OE2 3.4Å; K71-E234 PolarHBondContact NZ-OE2 3Å; R219-E234 WeakPolarHBondContact CA-O 3.36Å; K220-E234 HydrophobicContact CB-CB 4.25Å; K220-E234 HydrophobicContact CD-CB 4.37Å; K220-E234 HydrophobicContact CD-CG 4.36Å; K220-E234 WeakPolarHBondContact CD-OE1 3.48Å; K220-E234 PolarHBondContact N-O 2.93Å; K220-E234 IonicContact NZ-OE1 2.7Å; K220-E234 PolarHBondContact NZ-OE1 3.04Å; E234-W256 HydrophobicContact CB-CH2 3.65Å; E234-W256 HydrophobicContact CB-CZ2 4.46Å; E234-W256 HydrophobicContact CB-CZ3 4.27Å
235	R	97.5	Very high	93.7	Very high	91 Å²	91	48.2 Å²	48.2	34%	0.343	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.7	178.4	-60.9	-177.7	-169.5	165.8	5.3	110.8	K71 L218 R219 Y230	K71-R235 PolarHBondContact N-O 3.2Å; L218-R235 WeakPolarHBondContact O-CA 3.37Å; R219-R235 HydrophobicContact CB-CG 4.22Å; Y230-R235 PolarHBondContact O-NH2 2.75Å
236	I	98.3	Very high	94.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.6	179.3	-64	164.5	0	0	0	108.2	K71 I73 I81 S217 L218 I238 W256	K71-I236 HydrophobicContact CB-CG1 4.05Å; K71-I236 HydrophobicContact CD-CG1 4.21Å; K71-I236 CarbonylContact O-C 3.59Å; K71-I236 VanDerWaalsContact O-CA 3.24Å; K71-I236 WeakPolarHBondContact O-CA 3.48Å; I73-I236 HydrophobicContact CD1-CG2 3.74Å; I73-I236 HydrophobicContact CG1-CG2 4Å; I81-I236 HydrophobicContact CB-CD1 3.63Å; I81-I236 HydrophobicContact CD1-CD1 4.15Å; I81-I236 HydrophobicContact CG1-CD1 4.48Å; I81-I236 HydrophobicContact CG2-CD1 3.58Å; S217-I236 CarbonylContact C-O 3.59Å; S217-I236 WeakPolarHBondContact CA-O 3.39Å; L218-I236 HydrophobicContact CB-CB 4.32Å; L218-I236 HydrophobicContact CD1-CB 3.99Å; L218-I236 HydrophobicContact CD1-CG2 3.87Å; L218-I236 PolarHBondContact N-O 2.7Å; L218-I236 PolarHBondContact O-N 3.45Å; I236-I238 HydrophobicContact CG2-CD1 4.34Å; I236-I238 HydrophobicContact CG2-CG1 3.98Å; I236-W256 HydrophobicContact CD1-CE3 4.44Å; I236-W256 HydrophobicContact CD1-CH2 3.59Å; I236-W256 HydrophobicContact CD1-CZ2 4.22Å; I236-W256 HydrophobicContact CD1-CZ3 3.72Å; I236-W256 HydrophobicContact CG1-CH2 4.11Å; I236-W256 HydrophobicContact CG1-CZ3 4.01Å
237	R	98.3	Very high	95.1	Very high	76 Å²	76	38.6 Å²	38.6	29%	0.287	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.7	169.4	-162.4	-174.4	84.8	-114.1	-1.4	110.6	E70 K71 V72 I73 E74 A215	E70-R237 HydrophobicContact CG-CB 4.07Å; E70-R237 WeakPolarHBondContact OE2-CB 3.47Å; E70-R237 WeakPolarHBondContact OE2-CD 3.34Å; E70-R237 IonicContact OE2-CZ 3.15Å; E70-R237 IonicContact OE2-NE 3.87Å; E70-R237 IonicContact OE2-NH1 2.82Å; E70-R237 PolarHBondContact OE2-NH1 3.12Å; K71-R237 PolarHBondContact O-N 2.76Å; V72-R237 WeakPolarHBondContact CA-O 3.41Å; V72-R237 WeakPolarHBondContact CG1-O 3.17Å; I73-R237 PolarHBondContact N-O 3.22Å; E74-R237 IonicContact OE1-NH2 3.04Å; A215-R237 HydrophobicContact CB-CG 4.13Å
238	I	98.4	Very high	95.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	112.9	178.3	-50.4	-167.9	0	0	0	107.4	I73 L91 L93 F216 L218 I236 L240 L246	I73-I238 HydrophobicContact CB-CD1 4.4Å; I73-I238 HydrophobicContact CB-CG1 4.21Å; L91-I238 HydrophobicContact CD1-CD1 3.68Å; L93-I238 HydrophobicContact CD1-CG2 4.03Å; L93-I238 HydrophobicContact CD2-CG2 3.92Å; F216-I238 HydrophobicContact CB-CB 4.43Å; F216-I238 PolarHBondContact N-O 3.02Å; F216-I238 PolarHBondContact O-N 2.9Å; L218-I238 HydrophobicContact CD1-CD1 4.03Å; L218-I238 HydrophobicContact CD1-CG1 4.18Å; I236-I238 HydrophobicContact CG2-CD1 4.34Å; I236-I238 HydrophobicContact CG2-CG1 3.98Å; I238-L240 HydrophobicContact CG2-CD2 3.66Å; I238-L240 HydrophobicContact CG2-CG 4.18Å; I238-L240 PolarHBondContact O-N 2.85Å; I238-L240 VanDerWaalsContact O-N 3.16Å; I238-L246 HydrophobicContact CD1-CD1 4.11Å; I238-L246 HydrophobicContact CD1-CD2 4.22Å
239	P	97.9	Very high	96.2	Very high	34 Å²	34	30.7 Å²	30.7	22%	0.221	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	102.2	169.5	30.3	-30.4	0	0	0	108.4	I73 E74 T213 S241	I73-P239 WeakPolarHBondContact O-CD 3.46Å; E74-P239 HydrophobicContact CB-CG 4.26Å; E74-P239 HydrophobicContact CG-CG 3.77Å; T213-P239 HydrophobicContact CG2-CB 3.89Å; P239-S241 PolarHBondContact O-N 2.78Å
240	L	98.3	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	97.1	177.6	-68.7	-178.6	0	0	0	109.3	L93 S209 T213 R214 F216 I238 T244 L246	L93-L240 HydrophobicContact CD1-CD2 4.05Å; S209-L240 WeakPolarHBondContact OG-CB 3.45Å; T213-L240 WeakPolarHBondContact CA-O 3.18Å; R214-L240 PolarHBondContact N-O 2.82Å; R214-L240 PolarHBondContact O-N 2.77Å; F216-L240 HydrophobicContact CB-CD1 3.63Å; F216-L240 HydrophobicContact CB-CG 3.88Å; F216-L240 HydrophobicContact CD2-CD1 4.07Å; F216-L240 HydrophobicContact CG-CD1 3.88Å; I238-L240 HydrophobicContact CG2-CD2 3.66Å; I238-L240 HydrophobicContact CG2-CG 4.18Å; I238-L240 PolarHBondContact O-N 2.85Å; I238-L240 VanDerWaalsContact O-N 3.16Å; L240-T244 HydrophobicContact CD2-CG2 4.02Å; L240-L246 HydrophobicContact CD1-CD2 4.22Å; L240-L246 HydrophobicContact CD2-CB 3.91Å; L240-L246 HydrophobicContact CD2-CD2 4.17Å
241	S	97.7	Very high	96.7	Very high	41 Å²	41	26.2 Å²	26.2	29%	0.287	13%	0.132	S	C	.	.			trans	-86	173	178.8	60.2	0	0	0	0	112.7	S209 T213 P239 T244	S209-S241 WeakPolarHBondContact CB-O 3.49Å; T213-S241 WeakPolarHBondContact OG1-CA 3.4Å; T213-S241 VanDerWaalsContact OG1-CB 3.32Å; T213-S241 WeakPolarHBondContact OG1-CB 3.33Å; P239-S241 PolarHBondContact O-N 2.78Å; S241-T244 WeakPolarHBondContact O-CB 3.37Å; S241-T244 PolarHBondContact O-N 3.14Å; S241-T244 PolarHBondContact O-OG1 3.12Å; S241-T244 PolarHBondContact OG-OG1 3.4Å
242	H	98.4	Very high	97	Very high	50 Å²	50	23.5 Å²	23.5	23%	0.231	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	137.5	176.7	-164.2	36.6	0	0	0	112.6	A103 D104 F107 L210 G211 T244	A103-H242 VanDerWaalsContact C-NE2 3.26Å; A103-H242 PolarHBondContact O-CE1 2.9Å; D104-H242 WeakPolarHBondContact CA-NE2 2.97Å; D104-H242 VanDerWaalsContact CB-NE2 3.27Å; D104-H242 WeakPolarHBondContact CB-NE2 3.45Å; D104-H242 PolarHBondContact N-CE1 3.48Å; D104-H242 PolarHBondContact N-NE2 2.98Å; D104-H242 IonicContact OD1-CD2 3.57Å; D104-H242 PolarHBondContact OD1-CD2 3.4Å; D104-H242 CovalentContact OD1-NE2 1.78Å; D104-H242 IonicContact OD1-NE2 3.48Å; D104-H242 PolarHBondContact OD1-NE2 3.48Å; D104-H242 IonicContact OD2-NE2 3.89Å; F107-H242 WeakPolarHBondContact CB-CE1 3.44Å; F107-H242 AromaticContact CG-CE1 3.69Å; L210-H242 WeakPolarHBondContact CA-ND1 3.34Å; G211-H242 PolarHBondContact N-ND1 3.32Å; H242-T244 PolarHBondContact O-N 2.69Å
243	G	98.2	Very high	97.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	11.7	-179.3	0	0	0	0	0	115.2	F97 L98 S209	F97-G243 WeakPolarHBondContact CB-O 3.43Å; F97-G243 PolarHBondContact N-O 2.9Å; L98-G243 PolarHBondContact N-O 2.85Å; S209-G243 PolarHBondContact O-N 2.74Å
244	T	98.6	Very high	97.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.8	-178.3	-64.2	0	0	0	0	112.2	L93 S209 L240 S241 H242	L93-T244 HydrophobicContact CD1-CG2 3.62Å; S209-T244 PolarHBondContact N-O 2.54Å; L240-T244 HydrophobicContact CD2-CG2 4.02Å; S241-T244 WeakPolarHBondContact O-CB 3.37Å; S241-T244 PolarHBondContact O-N 3.14Å; S241-T244 PolarHBondContact O-OG1 3.12Å; S241-T244 PolarHBondContact OG-OG1 3.4Å; H242-T244 PolarHBondContact O-N 2.69Å
245	L	98.7	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.6	170.5	173.9	64.3	0	0	0	110.4	R94 F97 V166 A169 A206 L208 L247	R94-L245 HydrophobicContact CB-CB 4.28Å; R94-L245 PolarHBondContact N-O 2.6Å; R94-L245 PolarHBondContact O-N 3.1Å; F97-L245 HydrophobicContact CB-CB 3.74Å; F97-L245 HydrophobicContact CD1-CB 3.79Å; F97-L245 HydrophobicContact CD1-CD2 4.14Å; F97-L245 HydrophobicContact CD2-CB 4.3Å; F97-L245 HydrophobicContact CD2-CD2 3.8Å; F97-L245 HydrophobicContact CE1-CD2 4.16Å; F97-L245 HydrophobicContact CE2-CD2 3.83Å; F97-L245 HydrophobicContact CG-CB 3.66Å; F97-L245 HydrophobicContact CG-CD2 3.96Å; F97-L245 HydrophobicContact CG-CG 4.46Å; F97-L245 HydrophobicContact CZ-CD2 4Å; V166-L245 HydrophobicContact CG1-CD1 4.23Å; V166-L245 HydrophobicContact CG2-CD1 4.13Å; V166-L245 HydrophobicContact CG2-CD2 4.31Å; A169-L245 HydrophobicContact CB-CD2 4.44Å; A206-L245 HydrophobicContact CB-CD1 4.16Å; L208-L245 HydrophobicContact CB-CD1 4.4Å; L208-L245 HydrophobicContact CD1-CB 4.44Å; L245-L247 HydrophobicContact CD2-CD1 4.1Å; L245-L247 HydrophobicContact CG-CD1 4.03Å
246	L	98.8	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.6	169.3	170.3	66.8	0	0	0	108.8	L91 R92 L93 S207 F216 I238 L240 M248	L91-L246 HydrophobicContact CB-CD1 4.17Å; L91-L246 HydrophobicContact CD2-CD1 4.43Å; R92-L246 CarbonylContact O-C 3.57Å; R92-L246 WeakPolarHBondContact O-CA 3.38Å; L93-L246 HydrophobicContact CD1-CB 4.09Å; L93-L246 HydrophobicContact CD1-CD1 4.17Å; S207-L246 PolarHBondContact N-O 3.44Å; S207-L246 PolarHBondContact O-N 3.5Å; F216-L246 HydrophobicContact CD1-CD2 3.86Å; F216-L246 HydrophobicContact CE1-CD2 3.77Å; F216-L246 HydrophobicContact CZ-CD2 4.39Å; I238-L246 HydrophobicContact CD1-CD1 4.11Å; I238-L246 HydrophobicContact CD1-CD2 4.22Å; L240-L246 HydrophobicContact CD1-CD2 4.22Å; L240-L246 HydrophobicContact CD2-CB 3.91Å; L240-L246 HydrophobicContact CD2-CD2 4.17Å; L246-M248 HydrophobicContact CG-CG 4.49Å
247	L	98.4	Very high	97.1	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.4	166.4	-53.4	92.8	0	0	0	110.3	L91 R92 S170 T204 I205 A206 L245 E249	L91-L247 VanDerWaalsContact CA-O 3.31Å; L91-L247 WeakPolarHBondContact CA-O 3.47Å; R92-L247 HydrophobicContact CB-CB 4.16Å; R92-L247 HydrophobicContact CB-CD1 3.86Å; R92-L247 PolarHBondContact N-O 3.29Å; R92-L247 PolarHBondContact O-N 3.05Å; S170-L247 VanDerWaalsContact CB-CD2 3.41Å; T204-L247 HydrophobicContact CG2-CD2 4.46Å; I205-L247 CarbonylContact O-C 3.47Å; I205-L247 WeakPolarHBondContact O-CA 3.45Å; A206-L247 HydrophobicContact CB-CD2 4.34Å; A206-L247 HydrophobicContact CB-CG 4.29Å; L245-L247 HydrophobicContact CD2-CD1 4.1Å; L245-L247 HydrophobicContact CG-CD1 4.03Å; L247-E249 HydrophobicContact CB-CG 4.38Å
248	M	98.3	Very high	97.1	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.015	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.3	173.7	-60.5	-176.1	-72.7	0	0	108.6	L91 I205 F216 L246 T252	L91-M248 HydrophobicContact CD2-CB 4.19Å; L91-M248 HydrophobicContact CD2-CG 3.75Å; I205-M248 HydrophobicContact CB-CE 4.14Å; I205-M248 HydrophobicContact CG2-CE 3.75Å; I205-M248 PolarHBondContact N-O 3.1Å; I205-M248 PolarHBondContact O-N 3.29Å; F216-M248 HydrophobicContact CE1-SD 4.06Å; F216-M248 HydrophobicContact CZ-CE 4.31Å; F216-M248 HydrophobicContact CZ-SD 3.66Å; L246-M248 HydrophobicContact CG-CG 4.49Å; M248-T252 HydrophobicContact CB-CG2 4.02Å; M248-T252 HydrophobicContact CG-CG2 4.43Å
249	E	96.4	Very high	97.1	Very high	25 Å²	25	14.5 Å²	14.5	12%	0.117	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	163.1	-165.3	-67.3	-177.6	124.2	0	0	113.3	W90 R92 T204 L247 T252	W90-E249 HydrophobicContact CB-CB 4.07Å; W90-E249 PolarHBondContact N-O 3.01Å; W90-E249 VanDerWaalsContact N-O 3.08Å; W90-E249 PolarHBondContact O-N 3.23Å; R92-E249 IonicContact CZ-OE1 3.25Å; R92-E249 IonicContact CZ-OE2 2.77Å; R92-E249 IonicContact NE-OE1 2.79Å; R92-E249 IonicContact NE-OE2 2.74Å; R92-E249 PolarHBondContact NE-OE2 2.92Å; R92-E249 IonicContact NH2-OE1 2.82Å; R92-E249 PolarHBondContact NH2-OE1 3.33Å; R92-E249 IonicContact NH2-OE2 3.68Å; R92-E249 PolarHBondContact NH2-OE2 2.79Å; T204-E249 HydrophobicContact CG2-CG 3.8Å; T204-E249 WeakPolarHBondContact CG2-OE1 3.44Å; T204-E249 PolarHBondContact OG1-OE1 3.45Å; L247-E249 HydrophobicContact CB-CG 4.38Å; E249-T252 WeakPolarHBondContact O-CB 3.26Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-T252 PolarHBondContact O-OG1 2.85Å
250	G	95.3	Very high	97.1	Very high	24 Å²	24	13 Å²	13	25%	0.247	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.3	-132.9	-179.7	0	0	0	0	0	112	V88 T202 T252	V88-G250 WeakPolarHBondContact O-CA 3.49Å; T202-G250 WeakPolarHBondContact CA-O 3.46Å; T202-G250 WeakPolarHBondContact CB-O 3.41Å; G250-T252 PolarHBondContact O-N 3.48Å; G250-T252 VanDerWaalsContact O-N 3.1Å
251	A	95.7	Very high	97.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	2.9	-178.3	0	0	0	0	0	114.9	V88 S89 Q253 D254 D255	V88-A251 PolarHBondContact O-N 2.99Å; S89-A251 VanDerWaalsContact OG-C 3.31Å; S89-A251 PolarHBondContact OG-O 2.89Å; A251-Q253 VanDerWaalsContact C-N 3.31Å; A251-Q253 PolarHBondContact O-N 3.4Å; A251-D254 PolarHBondContact O-N 2.6Å; A251-D254 VanDerWaalsContact O-N 3.1Å; A251-D255 PolarHBondContact O-N 3.36Å
252	T	96.6	Very high	97	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-58.7	-36.8	-169.1	-60.8	0	0	0	0	113.5	I81 S89 W90 L91 L218 M248 E249 G250 W256	I81-T252 HydrophobicContact CD1-CG2 4.34Å; S89-T252 PolarHBondContact OG-N 2.9Å; W90-T252 PolarHBondContact N-OG1 2.61Å; W90-T252 PolarHBondContact O-OG1 3.4Å; L91-T252 HydrophobicContact CD2-CG2 4.01Å; L218-T252 HydrophobicContact CD2-CG2 4.47Å; M248-T252 HydrophobicContact CB-CG2 4.02Å; M248-T252 HydrophobicContact CG-CG2 4.43Å; E249-T252 WeakPolarHBondContact O-CB 3.26Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-T252 PolarHBondContact O-OG1 2.85Å; G250-T252 PolarHBondContact O-N 3.48Å; G250-T252 VanDerWaalsContact O-N 3.1Å; T252-W256 WeakPolarHBondContact O-CA 3.43Å; T252-W256 VanDerWaalsContact O-CB 3.31Å; T252-W256 WeakPolarHBondContact O-CB 3.44Å; T252-W256 PolarHBondContact O-N 3.29Å; T252-W256 VanDerWaalsContact O-N 3.07Å
253	Q	95.3	Very high	96.9	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-79.9	-28.4	178.9	-51.1	-52.9	-29.7	0	0	113	S193 D194 P203 I205 A251	S193-Q253 VanDerWaalsContact CB-O 3.22Å; S193-Q253 WeakPolarHBondContact CB-O 3.42Å; S193-Q253 PolarHBondContact OG-O 2.94Å; D194-Q253 HydrophobicContact CB-CG 4.25Å; D194-Q253 VanDerWaalsContact N-OE1 3.07Å; D194-Q253 WeakPolarHBondContact O-CB 3.16Å; D194-Q253 WeakPolarHBondContact O-CG 3.46Å; P203-Q253 HydrophobicContact CG-CG 4.12Å; I205-Q253 HydrophobicContact CD1-CG 4.11Å; A251-Q253 VanDerWaalsContact C-N 3.31Å; A251-Q253 PolarHBondContact O-N 3.4Å
254	D	92.6	Very high	96.4	Very high	19 Å²	19	25.7 Å²	25.7	10%	0.102	13%	0.125	C	C	.	.	H	α-helix	trans	-74.8	-44.2	175.2	-71.8	-73.5	0	0	0	112.3	Q221 A251	Q221-D254 PolarHBondContact NE2-O 2.86Å; Q221-D254 PolarHBondContact OE1-O 3.32Å; A251-D254 PolarHBondContact O-N 2.6Å; A251-D254 VanDerWaalsContact O-N 3.1Å
255	D	94.3	Very high	95.9	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-95.2	-17.8	-171	-79.2	1.9	0	0	0	113.9	S86 Q221 A251	S86-D255 WeakPolarHBondContact CB-OD1 3.34Å; S86-D255 PolarHBondContact OG-OD1 2.69Å; Q221-D255 PolarHBondContact N-O 2.84Å; A251-D255 PolarHBondContact O-N 3.36Å
256	W	96.4	Very high	95.5	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.2	-178.3	-61.5	73.3	0	0	0	112.6	I81 S82 S193 L218 R219 K220 E234 I236 T252	I81-W256 HydrophobicContact CB-CZ2 4.22Å; I81-W256 HydrophobicContact CD1-CD2 3.74Å; I81-W256 HydrophobicContact CD1-CE3 4.39Å; I81-W256 HydrophobicContact CD1-CG 3.92Å; I81-W256 HydrophobicContact CD1-CZ2 4.06Å; I81-W256 HydrophobicContact CG1-CZ2 4.18Å; S82-W256 PolarHBondContact OG-NE1 3.14Å; S193-W256 PolarHBondContact OG-O 2.77Å; L218-W256 HydrophobicContact CB-CE3 3.78Å; L218-W256 HydrophobicContact CB-CZ3 4.37Å; R219-W256 WeakPolarHBondContact O-CA 3.31Å; K220-W256 HydrophobicContact CB-CD2 4.08Å; K220-W256 HydrophobicContact CB-CE3 4.03Å; K220-W256 HydrophobicContact CB-CH2 4.03Å; K220-W256 HydrophobicContact CB-CZ2 4.07Å; K220-W256 HydrophobicContact CB-CZ3 4.01Å; K220-W256 HydrophobicContact CD-CZ2 4Å; K220-W256 HydrophobicContact CG-CD2 4.19Å; K220-W256 HydrophobicContact CG-CH2 4.44Å; K220-W256 HydrophobicContact CG-CZ2 3.98Å; E234-W256 HydrophobicContact CB-CH2 3.65Å; E234-W256 HydrophobicContact CB-CZ2 4.46Å; E234-W256 HydrophobicContact CB-CZ3 4.27Å; I236-W256 HydrophobicContact CD1-CE3 4.44Å; I236-W256 HydrophobicContact CD1-CH2 3.59Å; I236-W256 HydrophobicContact CD1-CZ2 4.22Å; I236-W256 HydrophobicContact CD1-CZ3 3.72Å; I236-W256 HydrophobicContact CG1-CH2 4.11Å; I236-W256 HydrophobicContact CG1-CZ3 4.01Å; T252-W256 WeakPolarHBondContact O-CA 3.43Å; T252-W256 VanDerWaalsContact O-CB 3.31Å; T252-W256 WeakPolarHBondContact O-CB 3.44Å; T252-W256 PolarHBondContact O-N 3.29Å; T252-W256 VanDerWaalsContact O-N 3.07Å
257	Q	97.4	Very high	95.3	Very high	30 Å²	30	44.5 Å²	44.5	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.5	165.2	-77.4	172.5	3	0	0	109.2	W191 H192 S193 L218 R219 Q221 Y230	W191-Q257 HydrophobicContact CE3-CB 4.24Å; W191-Q257 WeakPolarHBondContact CZ3-O 3.09Å; H192-Q257 CarbonylContact O-C 3.59Å; H192-Q257 WeakPolarHBondContact O-CA 3.21Å; H192-Q257 WeakPolarHBondContact O-CB 3.3Å; S193-Q257 VanDerWaalsContact OG-CG 3.26Å; S193-Q257 WeakPolarHBondContact OG-CG 3.22Å; L218-Q257 CarbonylContact C-O 3.6Å; L218-Q257 VanDerWaalsContact CA-O 3.28Å; L218-Q257 WeakPolarHBondContact CA-O 3.28Å; R219-Q257 HydrophobicContact CG-CB 4.09Å; R219-Q257 PolarHBondContact N-O 3.44Å; R219-Q257 VanDerWaalsContact NE-OE1 3.08Å; R219-Q257 PolarHBondContact O-N 3.44Å; Q221-Q257 HydrophobicContact CG-CG 4.19Å; Y230-Q257 PolarHBondContact OH-NE2 3.05Å; Y230-Q257 PolarHBondContact OH-OE1 3.41Å
258	H	98.2	Very high	95.3	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	160.6	178.8	64.4	-96.5	0	0	0	112.7	W191 H192 F216 S217 L218	W191-H258 WeakPolarHBondContact CA-O 3.18Å; H192-H258 AromaticContact CE1-CD2 3.5Å; H192-H258 PolarHBondContact CE1-CD2 2.6Å; H192-H258 VanDerWaalsContact CE1-CD2 3.5Å; H192-H258 AromaticContact CE1-NE2 3.44Å; H192-H258 PolarHBondContact CE1-NE2 3.22Å; H192-H258 PolarHBondContact N-O 2.94Å; H192-H258 PolarHBondContact ND1-O 2.79Å; H192-H258 VanDerWaalsContact ND1-O 3.12Å; H192-H258 AromaticContact NE2-CD2 3.9Å; H192-H258 AromaticContact NE2-NE2 3.34Å; H192-H258 PolarHBondContact NE2-NE2 2.88Å; H192-H258 PolarHBondContact O-N 3.29Å; F216-H258 HydrophobicContact CE1-CB 3.89Å; F216-H258 HydrophobicContact CE2-CB 4.05Å; F216-H258 AromaticContact CE2-CD2 3.38Å; F216-H258 WeakPolarHBondContact CE2-CD2 3.24Å; F216-H258 AromaticContact CE2-CG 3.91Å; F216-H258 HydrophobicContact CZ-CB 3.49Å; F216-H258 VanDerWaalsContact CZ-CB 3.49Å; F216-H258 AromaticContact CZ-CD2 3.39Å; F216-H258 WeakPolarHBondContact CZ-CD2 3.39Å; F216-H258 AromaticContact CZ-CG 3.46Å; F216-H258 VanDerWaalsContact CZ-CG 3.46Å; S217-H258 CarbonylContact O-C 3.57Å; S217-H258 WeakPolarHBondContact O-CA 3.39Å; L218-H258 HydrophobicContact CG-CB 4.16Å
259	Q	97.9	Very high	95.3	Very high	35 Å²	35	48 Å²	48	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162.1	177.8	70.6	165.8	6.5	0	0	111.7	I189 W191 S217	I189-Q259 WeakPolarHBondContact O-CB 3.33Å; W191-Q259 HydrophobicContact CD2-CB 3.97Å; W191-Q259 HydrophobicContact CD2-CG 3.8Å; W191-Q259 HydrophobicContact CE3-CB 3.91Å; W191-Q259 HydrophobicContact CE3-CG 3.78Å; W191-Q259 HydrophobicContact CG-CB 4.39Å; W191-Q259 HydrophobicContact CH2-CG 3.82Å; W191-Q259 VanDerWaalsContact CZ2-CD 3.44Å; W191-Q259 HydrophobicContact CZ2-CG 3.81Å; W191-Q259 VanDerWaalsContact CZ2-NE2 3.3Å; W191-Q259 HydrophobicContact CZ3-CB 4.33Å; W191-Q259 HydrophobicContact CZ3-CG 3.79Å; W191-Q259 VanDerWaalsContact NE1-OE1 3.16Å; S217-Q259 PolarHBondContact N-O 2.68Å; S217-Q259 PolarHBondContact O-N 3.2Å
260	V	98	Very high	95.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	105	159.6	-178.7	0	0	0	0	107.2	Y182 S188 I189 R214 F216	Y182-V260 HydrophobicContact CD1-CG1 4.42Å; Y182-V260 HydrophobicContact CE1-CB 4Å; Y182-V260 HydrophobicContact CE1-CG1 4.06Å; S188-V260 CarbonylContact C-O 3.55Å; S188-V260 VanDerWaalsContact CA-O 3.23Å; S188-V260 WeakPolarHBondContact CA-O 3.41Å; S188-V260 WeakPolarHBondContact CB-O 3.14Å; I189-V260 HydrophobicContact CG2-CB 4.04Å; I189-V260 HydrophobicContact CG2-CG2 4.16Å; I189-V260 PolarHBondContact N-O 2.99Å; I189-V260 CarbonylContact O-C 3.42Å; I189-V260 PolarHBondContact O-N 2.58Å; I189-V260 VanDerWaalsContact O-O 3.1Å; R214-V260 HydrophobicContact CB-CG1 3.97Å; F216-V260 HydrophobicContact CD2-CG2 4.07Å
261	A	97	Very high	95.5	Very high	31 Å²	31	45.7 Å²	45.7	26%	0.256	23%	0.225	S	C	.	.			trans	-72.7	158.4	-173.8	0	0	0	0	0	112.7	R214	R214-A261 PolarHBondContact NH2-O 3.07Å
262	K	97.1	Very high	95.7	Very high	98 Å²	98	45.9 Å²	45.9	43%	0.426	23%	0.226	S	C	.	.			trans	-66	139.7	165.9	-61.3	-170.7	-175.7	-119.5	0	109.8	G185 H186 S188	G185-K262 CarbonylContact O-C 3.52Å; G185-K262 VanDerWaalsContact O-CA 3.25Å; G185-K262 WeakPolarHBondContact O-CA 3.47Å; H186-K262 WeakPolarHBondContact O-CD 3.44Å; H186-K262 WeakPolarHBondContact O-CE 3.18Å; H186-K262 WeakPolarHBondContact O-CG 3.47Å; H186-K262 PolarHBondContact O-NZ 2.79Å; S188-K262 WeakPolarHBondContact OG-CE 3.21Å; S188-K262 WeakPolarHBondContact OG-CG 3.47Å
263	E	94.6	Very high	95.7	Very high	31 Å²	31	45.8 Å²	45.8	15%	0.145	23%	0.226	C	C	.	.			trans	-118.1	134.6	178.1	-67.9	-179.5	-131.8	0	0	109.3	G185 R214 A215 R267	G185-E263 CarbonylContact C-O 3.55Å; G185-E263 PolarHBondContact O-N 3.42Å; R214-E263 VanDerWaalsContact CD-OE1 3.25Å; R214-E263 WeakPolarHBondContact CD-OE1 3.49Å; R214-E263 IonicContact CZ-OE1 3.68Å; R214-E263 IonicContact NE-OE1 2.85Å; R214-E263 PolarHBondContact NE-OE1 2.97Å; A215-E263 PolarHBondContact N-OE1 2.83Å; E263-R267 HydrophobicContact CB-CG 4.28Å; E263-R267 IonicContact OE2-CZ 2.02Å; E263-R267 VanDerWaalsContact OE2-CZ 3.25Å; E263-R267 IonicContact OE2-NE 2.73Å; E263-R267 PolarHBondContact OE2-NE 3.46Å; E263-R267 IonicContact OE2-NH2 3.52Å; E263-R267 PolarHBondContact OE2-NH2 3.1Å
264	Y	88.2	Confident	95.9	Very high	199 Å²	199	46.3 Å²	46.3	78%	0.78	23%	0.229	S	C	*	.	S	Bend	trans	-98.6	18.4	-174.2	-57.1	-79.7	0	0	0	113.6
265	H	88.7	Confident	96.1	Very high	150 Å²	150	45.4 Å²	45.4	69%	0.694	22%	0.224	S	C	*	.	S	Bend	trans	-110.8	156.3	168.6	-51.5	106.2	0	0	0	107.3	R267	H265-R267 PolarHBondContact O-N 3.18Å
266	D	90.6	Very high	96.2	Very high	169 Å²	169	44.7 Å²	44.7	90%	0.904	22%	0.22	S	C	*	.			trans	-58.5	130.8	178.4	-61.1	-41	0	0	0	110.5
267	R	94.9	Very high	96	Very high	79 Å²	79	46.5 Å²	46.5	30%	0.298	23%	0.231	S	C	.	.			trans	-136.7	135.4	-177	-75.9	-63.6	-171.4	-169.6	2.1	110.1	D212 T213 E263 H265	D212-R267 IonicContact OD1-NH1 2.69Å; D212-R267 PolarHBondContact OD1-NH1 3.13Å; D212-R267 VanDerWaalsContact OD1-NH1 3.15Å; D212-R267 VanDerWaalsContact OD2-CA 3.25Å; D212-R267 WeakPolarHBondContact OD2-CA 3.21Å; D212-R267 WeakPolarHBondContact OD2-CD 3.44Å; D212-R267 IonicContact OD2-NH1 3.16Å; T213-R267 PolarHBondContact O-NH1 3.35Å; T213-R267 PolarHBondContact O-NH2 2.99Å; E263-R267 HydrophobicContact CB-CG 4.28Å; E263-R267 IonicContact OE2-CZ 2.02Å; E263-R267 VanDerWaalsContact OE2-CZ 3.25Å; E263-R267 IonicContact OE2-NE 2.73Å; E263-R267 PolarHBondContact OE2-NE 3.46Å; E263-R267 IonicContact OE2-NH2 3.52Å; E263-R267 PolarHBondContact OE2-NH2 3.1Å; H265-R267 PolarHBondContact O-N 3.18Å
268	G	96.9	Very high	95.7	Very high	28 Å²	28	45.2 Å²	45.2	29%	0.289	23%	0.225	S	C	.	.			trans	-76	172.6	171.6	0	0	0	0	0	112.6	D212	D212-G268 PolarHBondContact OD2-N 3.22Å
269	P	98.1	Very high	95.1	Very high	49 Å²	49	49.2 Å²	49.2	32%	0.318	24%	0.244	S	C	.	.			trans	-63.2	142.8	173.5	18.4	-25.7	0	0	0	112.4	F107 L111 L181 Y182 R183 D212	F107-P269 HydrophobicContact CZ-CB 4.13Å; F107-P269 HydrophobicContact CZ-CG 4.02Å; F107-P269 WeakPolarHBondContact CZ-O 3.38Å; L111-P269 HydrophobicContact CD2-CG 4.46Å; L181-P269 HydrophobicContact CD1-CB 4.07Å; Y182-P269 CarbonylContact O-C 3.55Å; Y182-P269 VanDerWaalsContact O-CA 3.26Å; Y182-P269 WeakPolarHBondContact O-CA 3.4Å; R183-P269 WeakPolarHBondContact O-CA 3.11Å; D212-P269 PolarHBondContact N-O 3.3Å
270	R	98.5	Very high	94.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.5	174.2	178.6	-175	173.5	-98.3	-5	110.2	L181 Y182 S209 L210 D212 R214 N272	L181-R270 WeakPolarHBondContact CA-O 3.26Å; Y182-R270 PolarHBondContact N-O 2.82Å; Y182-R270 PolarHBondContact O-N 3.45Å; S209-R270 PolarHBondContact OG-NH2 2.74Å; L210-R270 CarbonylContact O-C 3.52Å; L210-R270 WeakPolarHBondContact O-CA 3.32Å; D212-R270 WeakPolarHBondContact O-CB 3.41Å; D212-R270 VanDerWaalsContact O-CD 3.29Å; D212-R270 WeakPolarHBondContact O-CD 3.43Å; D212-R270 WeakPolarHBondContact O-CG 3.35Å; R214-R270 HydrophobicContact CG-CB 4.28Å; R214-R270 VanDerWaalsContact CG-CD 3.44Å; R214-R270 HydrophobicContact CG-CG 4.48Å; R270-N272 PolarHBondContact NH1-OD1 2.86Å; R270-N272 VanDerWaalsContact NH1-OD1 3.09Å; R270-N272 PolarHBondContact NH2-OD1 3.3Å
271	I	98.7	Very high	92.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	168	-67.7	170.3	0	0	0	108.9	F107 L110 L111 W116 N180 L181 L210 L273	F107-I271 HydrophobicContact CD2-CB 4.34Å; F107-I271 HydrophobicContact CD2-CD1 3.86Å; F107-I271 HydrophobicContact CD2-CG1 4.16Å; F107-I271 HydrophobicContact CE2-CB 4.42Å; F107-I271 HydrophobicContact CE2-CD1 4.02Å; F107-I271 HydrophobicContact CE2-CG1 4Å; L110-I271 HydrophobicContact CB-CD1 4.02Å; L111-I271 HydrophobicContact CB-CD1 3.99Å; W116-I271 HydrophobicContact CH2-CD1 4.49Å; W116-I271 HydrophobicContact CH2-CG1 4.17Å; W116-I271 HydrophobicContact CH2-CG2 4.18Å; W116-I271 HydrophobicContact CZ2-CD1 3.83Å; W116-I271 HydrophobicContact CZ2-CG1 3.92Å; W116-I271 HydrophobicContact CZ2-CG2 4.49Å; N180-I271 CarbonylContact O-C 3.37Å; N180-I271 WeakPolarHBondContact O-CA 3.14Å; L181-I271 HydrophobicContact CB-CG1 4.49Å; L181-I271 HydrophobicContact CD1-CG1 3.95Å; L210-I271 HydrophobicContact CB-CB 4.23Å; L210-I271 PolarHBondContact N-O 3.02Å; L210-I271 PolarHBondContact O-N 2.89Å; I271-L273 HydrophobicContact CG2-CD2 3.82Å; I271-L273 HydrophobicContact CG2-CG 4.12Å
272	N	98.7	Very high	91	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.8	176.3	-175.9	125.6	0	0	0	108.6	N180 Y182 S207 L208 R270 T274	N180-N272 HydrophobicContact CB-CB 4.29Å; N180-N272 PolarHBondContact N-O 3.18Å; N180-N272 PolarHBondContact O-N 3.05Å; Y182-N272 HydrophobicContact CE2-CB 4Å; S207-N272 PolarHBondContact OG-ND2 3.36Å; S207-N272 PolarHBondContact OG-OD1 3.25Å; L208-N272 WeakPolarHBondContact O-CA 3.26Å; R270-N272 PolarHBondContact NH1-OD1 2.86Å; R270-N272 VanDerWaalsContact NH1-OD1 3.09Å; R270-N272 PolarHBondContact NH2-OD1 3.3Å; N272-T274 PolarHBondContact ND2-OG1 3.17Å
273	L	98.4	Very high	88.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	104.3	178.5	-56.3	178.5	0	0	0	108.6	L110 L159 L162 L177 C179 S207 L208 L210 I271 F275	L110-L273 HydrophobicContact CD1-CD1 4.07Å; L159-L273 HydrophobicContact CD2-CD1 3.87Å; L159-L273 HydrophobicContact CD2-CD2 3.89Å; L162-L273 HydrophobicContact CD1-CD1 3.57Å; L177-L273 HydrophobicContact CD1-CB 3.85Å; L177-L273 HydrophobicContact CD1-CD2 4.38Å; C179-L273 HydrophobicContact CB-CD2 4.08Å; C179-L273 WeakPolarHBondContact SG-CD2 3.3Å; S207-L273 WeakPolarHBondContact CA-O 3.27Å; L208-L273 HydrophobicContact CB-CB 4.34Å; L208-L273 HydrophobicContact CD2-CD1 4.35Å; L208-L273 PolarHBondContact N-O 3.13Å; L208-L273 PolarHBondContact O-N 2.81Å; L210-L273 HydrophobicContact CD1-CD1 4.48Å; I271-L273 HydrophobicContact CG2-CD2 3.82Å; I271-L273 HydrophobicContact CG2-CG 4.12Å; L273-F275 HydrophobicContact CB-CD2 4.44Å; L273-F275 HydrophobicContact CB-CE2 3.69Å; L273-F275 HydrophobicContact CB-CZ 4.06Å; L273-F275 HydrophobicContact CD1-CZ 4.36Å
274	T	98.1	Very high	86.7	Confident	12 Å²	12	63.8 Å²	63.8	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	102.8	177.5	-50.9	0	0	0	0	109.6	L177 L178 I205 A206 N272 R276	L177-T274 WeakPolarHBondContact CA-O 3.34Å; L178-T274 PolarHBondContact N-O 3.33Å; L178-T274 PolarHBondContact O-N 2.83Å; I205-T274 HydrophobicContact CG2-CG2 3.52Å; A206-T274 CarbonylContact O-C 3.52Å; A206-T274 WeakPolarHBondContact O-CA 3.48Å; N272-T274 PolarHBondContact ND2-OG1 3.17Å; T274-R276 HydrophobicContact CG2-CG 4.09Å
275	F	97.5	Very high	85.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.9	174.4	-55.4	-94.6	0	0	0	109.9	W155 L162 R163 V166 F174 S176 L177 A206 L208 L273	W155-F275 HydrophobicContact CZ3-CE1 4.35Å; L162-F275 HydrophobicContact CB-CZ 4.14Å; R163-F275 HydrophobicContact CB-CD1 4.2Å; R163-F275 HydrophobicContact CB-CE1 3.82Å; R163-F275 HydrophobicContact CG-CD1 4.26Å; R163-F275 HydrophobicContact CG-CE1 4.39Å; V166-F275 HydrophobicContact CG1-CD2 4.29Å; V166-F275 HydrophobicContact CG2-CE2 4.19Å; F174-F275 HydrophobicContact CB-CB 4.03Å; F174-F275 HydrophobicContact CD1-CB 3.96Å; F174-F275 HydrophobicContact CD2-CB 4.11Å; F174-F275 HydrophobicContact CE1-CB 4.47Å; F174-F275 HydrophobicContact CG-CB 3.75Å; S176-F275 WeakPolarHBondContact O-CA 3.42Å; L177-F275 HydrophobicContact CB-CD1 4.34Å; L177-F275 HydrophobicContact CD1-CD1 4.01Å; L177-F275 HydrophobicContact CD1-CD2 4.43Å; L177-F275 HydrophobicContact CD1-CE1 3.99Å; L177-F275 HydrophobicContact CD1-CE2 4.41Å; L177-F275 HydrophobicContact CD1-CG 4.23Å; L177-F275 HydrophobicContact CD1-CZ 4.19Å; L177-F275 HydrophobicContact CD2-CD1 4.38Å; L177-F275 HydrophobicContact CD2-CE1 3.87Å; L177-F275 HydrophobicContact CD2-CZ 4.39Å; L177-F275 HydrophobicContact CG-CD1 4.46Å; L177-F275 HydrophobicContact CG-CE1 4.38Å; A206-F275 HydrophobicContact CB-CB 4.33Å; A206-F275 PolarHBondContact N-O 3.41Å; A206-F275 VanDerWaalsContact N-O 3.09Å; A206-F275 PolarHBondContact O-N 3.34Å; L208-F275 HydrophobicContact CB-CE2 4.22Å; L273-F275 HydrophobicContact CB-CD2 4.44Å; L273-F275 HydrophobicContact CB-CE2 3.69Å; L273-F275 HydrophobicContact CB-CZ 4.06Å; L273-F275 HydrophobicContact CD1-CZ 4.36Å
276	R	95.7	Very high	83.3	Confident	6 Å²	6	61.6 Å²	61.6	2%	0.023	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.1	-177.7	-58.2	-170	-169.3	130.3	-9.3	110.5	Y142 N175 S176 D194 L199 I205 T274	Y142-R276 PolarHBondContact OH-NH1 3.31Å; N175-R276 PolarHBondContact N-O 2.68Å; S176-R276 PolarHBondContact N-O 3.18Å; S176-R276 PolarHBondContact O-N 3.19Å; S176-R276 VanDerWaalsContact O-O 3.11Å; D194-R276 IonicContact OD1-CZ 3.73Å; D194-R276 IonicContact OD1-NH2 2.66Å; D194-R276 PolarHBondContact OD1-NH2 3.25Å; D194-R276 IonicContact OD2-CZ 2.75Å; D194-R276 IonicContact OD2-NE 3.88Å; D194-R276 PolarHBondContact OD2-NE 3.39Å; D194-R276 IonicContact OD2-NH2 3.98Å; D194-R276 PolarHBondContact OD2-NH2 3.39Å; L199-R276 HydrophobicContact CD2-CB 3.97Å; L199-R276 HydrophobicContact CD2-CG 4.48Å; I205-R276 HydrophobicContact CD1-CG 4.36Å; I205-R276 HydrophobicContact CG1-CG 4.2Å; I205-R276 HydrophobicContact CG2-CG 4.05Å; T274-R276 HydrophobicContact CG2-CG 4.09Å
277	T	93.3	Very high	81.3	Confident	38 Å²	38	56.6 Å²	56.6	23%	0.233	31%	0.309	C	S	.	.			trans	-111	120.2	170.8	-62.5	0	0	0	0	109	T173 N175 L199	T173-T277 PolarHBondContact O-OG1 3.04Å; N175-T277 WeakPolarHBondContact OD1-CA 3.24Å; L199-T277 WeakPolarHBondContact CD2-O 3.46Å
278	V	89.8	Confident	79.2	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.024	31%	0.305	C	S	.	.			trans	-106.5	130.1	179.4	172.8	0	0	0	0	108	L140 Y142 N175 S176 S198 L199	L140-V278 HydrophobicContact CB-CG1 4.18Å; L140-V278 HydrophobicContact CD1-CG1 4.32Å; L140-V278 WeakPolarHBondContact CD1-O 3.26Å; Y142-V278 HydrophobicContact CD2-CG2 3.97Å; Y142-V278 HydrophobicContact CE2-CG2 4.48Å; N175-V278 PolarHBondContact ND2-O 2.97Å; N175-V278 PolarHBondContact OD1-N 2.95Å; N175-V278 PolarHBondContact OD1-O 2.93Å; S176-V278 VanDerWaalsContact CB-CG2 3.47Å; S198-V278 CarbonylContact O-C 3.54Å; S198-V278 WeakPolarHBondContact O-CA 3.33Å; L199-V278 HydrophobicContact CD2-CG2 3.99Å
279	H	86.4	Confident	77.1	Confident	95 Å²	95	55.4 Å²	55.4	44%	0.44	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-102	156.8	172.2	-59.2	-75.6	0	0	0	109.9	S198 E281	S198-H279 PolarHBondContact O-N 3.49Å; H279-E281 PolarHBondContact O-N 3.11Å
280	P	79.9	Confident	75.2	Confident	101 Å²	101	59.3 Å²	59.3	66%	0.656	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-54.8	134.5	168.4	-23.4	34.3	0	0	0	110.7	L140	L140-P280 HydrophobicContact CD1-CG 4.14Å
281	E	67.7	Low	73.2	Confident	67 Å²	67	61.5 Å²	61.5	31%	0.313	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-62.6	133.2	179.7	-72.4	-172.9	157.7	0	0	110.7	H279 P287 G288	H279-E281 PolarHBondContact O-N 3.11Å; E281-P287 WeakPolarHBondContact OE1-CA 3.37Å; E281-P287 VanDerWaalsContact OE2-CA 3.26Å; E281-P287 WeakPolarHBondContact OE2-CA 3.32Å; E281-P287 WeakPolarHBondContact OE2-CB 3.25Å; E281-P287 WeakPolarHBondContact OE2-CG 3.4Å; E281-G288 PolarHBondContact OE1-N 2.86Å
282	P	59.5	Low	71.1	Confident	55 Å²	55	69.3 Å²	69.3	36%	0.357	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-67.7	135.2	-178.4	26.1	-33.3	0	0	0	111.3	H285 M291	P282-H285 HydrophobicContact CG-CB 4.45Å; P282-H285 WeakPolarHBondContact O-CB 3.24Å; P282-H285 PolarHBondContact O-N 3.45Å; P282-H285 PolarHBondContact O-ND1 3.36Å; P282-M291 HydrophobicContact CG-CE 3.91Å
283	E	49.1	Very low	68.9	Low	193 Å²	193	73 Å²	73	90%	0.902	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	141.5	-175.4	-65.1	-170.3	148	0	0	112.9	H285	E283-H285 VanDerWaalsContact C-N 3.3Å; E283-H285 PolarHBondContact O-N 3.34Å; E283-H285 PolarHBondContact O-ND1 2.93Å
284	G	52.8	Low	66.2	Low	87 Å²	87	78.9 Å²	78.9	90%	0.897	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-7.9	-179.8	0	0	0	0	0	116.1
285	H	54.4	Low	63.4	Low	94 Å²	94	81.5 Å²	81.5	44%	0.435	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-84.5	153.8	176	-67	71.5	0	0	0	111.9	P282 E283	P282-H285 HydrophobicContact CG-CB 4.45Å; P282-H285 WeakPolarHBondContact O-CB 3.24Å; P282-H285 PolarHBondContact O-N 3.45Å; P282-H285 PolarHBondContact O-ND1 3.36Å; E283-H285 VanDerWaalsContact C-N 3.3Å; E283-H285 PolarHBondContact O-N 3.34Å; E283-H285 PolarHBondContact O-ND1 2.93Å
286	R	50.5	Low	60.3	Low	209 Å²	209	91 Å²	91	79%	0.789	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-85.6	132	174.7	-74.7	-177.3	179.9	-175.5	0.3	110	G288 T289	R286-G288 PolarHBondContact O-N 3.05Å; R286-T289 WeakPolarHBondContact CB-OG1 3.45Å; R286-T289 VanDerWaalsContact O-CB 3.3Å; R286-T289 WeakPolarHBondContact O-CB 3.37Å; R286-T289 PolarHBondContact O-N 2.75Å; R286-T289 PolarHBondContact O-OG1 2.82Å
287	P	49.1	Very low	57.1	Low	64 Å²	64	98 Å²	98	42%	0.416	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	136.1	-177.5	-28.5	34.4	0	0	0	114.3	T143 E281 T289	T143-P287 HydrophobicContact CG2-CB 3.86Å; E281-P287 WeakPolarHBondContact OE1-CA 3.37Å; E281-P287 VanDerWaalsContact OE2-CA 3.26Å; E281-P287 WeakPolarHBondContact OE2-CA 3.32Å; E281-P287 WeakPolarHBondContact OE2-CB 3.25Å; E281-P287 WeakPolarHBondContact OE2-CG 3.4Å; P287-T289 VanDerWaalsContact C-N 3.3Å; P287-T289 PolarHBondContact O-N 2.83Å
288	G	50	Low	54.6	Low	19 Å²	19	105.6 Å²	105.6	20%	0.196	57%	0.566	C	S	.	*	T	Hydrogen-bonded Turn	trans	67.3	21.7	-178.6	0	0	0	0	0	115.5	E281 R286	E281-G288 PolarHBondContact OE1-N 2.86Å; R286-G288 PolarHBondContact O-N 3.05Å
289	T	53.3	Low	52.8	Low	64 Å²	64	110.7 Å²	110.7	39%	0.393	59%	0.593	S	S	.	*			trans	-79.1	141.7	172.4	-56.1	0	0	0	0	110.9	A197 R286 P287	A197-T289 VanDerWaalsContact CB-O 3.25Å; A197-T289 WeakPolarHBondContact CB-O 3.3Å; A197-T289 PolarHBondContact N-O 3.16Å; A197-T289 VanDerWaalsContact N-O 3.13Å; R286-T289 WeakPolarHBondContact CB-OG1 3.45Å; R286-T289 VanDerWaalsContact O-CB 3.3Å; R286-T289 WeakPolarHBondContact O-CB 3.37Å; R286-T289 PolarHBondContact O-N 2.75Å; R286-T289 PolarHBondContact O-OG1 2.82Å; P287-T289 VanDerWaalsContact C-N 3.3Å; P287-T289 PolarHBondContact O-N 2.83Å
290	K	58	Low	51.1	Low	130 Å²	130	111.5 Å²	111.5	57%	0.565	60%	0.601	S	S	*	*	B	Isolated β-bridge	trans	-68.5	130.7	171.6	-61.8	-179.9	171.6	-72.6	0	110.7	D195	D195-K290 WeakPolarHBondContact O-CA 3.3Å; D195-K290 IonicContact OD1-NZ 3.64Å; D195-K290 PolarHBondContact OD1-NZ 3.24Å; D195-K290 WeakPolarHBondContact OD2-CD 3.39Å; D195-K290 IonicContact OD2-NZ 3.69Å; D195-K290 PolarHBondContact OD2-NZ 2.76Å
291	M	56.3	Low	49.5	Very low	48 Å²	48	112.1 Å²	112.1	24%	0.236	60%	0.598	C	S	.	*			trans	-119.6	110.5	167.1	-83.8	-146.9	-72.8	0	0	110.7	A197 P282 F293	A197-M291 HydrophobicContact CB-CB 4Å; A197-M291 HydrophobicContact CB-CE 3.77Å; A197-M291 HydrophobicContact CB-CG 3.85Å; P282-M291 HydrophobicContact CG-CE 3.91Å; M291-F293 HydrophobicContact CB-CD2 4.41Å; M291-F293 HydrophobicContact CB-CE2 3.96Å; M291-F293 HydrophobicContact CB-CZ 4.19Å; M291-F293 HydrophobicContact CE-CE1 4.11Å; M291-F293 HydrophobicContact CE-CZ 3.68Å; M291-F293 WeakPolarHBondContact O-CD2 3.45Å; M291-F293 PolarHBondContact O-N 3.02Å; M291-F293 HydrophobicContact SD-CZ 4.5Å
292	R	54.5	Low	48.4	Very low	165 Å²	165	114.8 Å²	114.8	62%	0.623	62%	0.615	S	S	*	*			trans	-77.9	107.2	165.4	-82.4	-175.5	167.2	-174.6	-4.6	109.1	T294	R292-T294 VanDerWaalsContact C-N 3.3Å; R292-T294 PolarHBondContact O-N 2.88Å
293	F	51.5	Low	47.7	Very low	82 Å²	82	118.5 Å²	118.5	36%	0.36	63%	0.631	S	S	.	*			trans	-78.8	79.5	175.2	-68.2	-86	0	0	0	110	G200 P201 M291 A295	G200-F293 VanDerWaalsContact C-CE2 3.49Å; P201-F293 HydrophobicContact CB-CB 3.99Å; P201-F293 HydrophobicContact CB-CD1 4.15Å; P201-F293 HydrophobicContact CB-CD2 3.9Å; P201-F293 HydrophobicContact CB-CE2 4.38Å; P201-F293 HydrophobicContact CB-CG 3.76Å; M291-F293 HydrophobicContact CB-CD2 4.41Å; M291-F293 HydrophobicContact CB-CE2 3.96Å; M291-F293 HydrophobicContact CB-CZ 4.19Å; M291-F293 HydrophobicContact CE-CE1 4.11Å; M291-F293 HydrophobicContact CE-CZ 3.68Å; M291-F293 WeakPolarHBondContact O-CD2 3.45Å; M291-F293 PolarHBondContact O-N 3.02Å; M291-F293 HydrophobicContact SD-CZ 4.5Å; F293-A295 PolarHBondContact O-N 2.83Å; F293-A295 VanDerWaalsContact O-N 3.1Å
294	T	43.4	Very low	47.6	Very low	123 Å²	123	113.5 Å²	113.5	76%	0.755	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-56.5	119.1	172.3	54.1	0	0	0	0	109.5	R292 K296	R292-T294 VanDerWaalsContact C-N 3.3Å; R292-T294 PolarHBondContact O-N 2.88Å; T294-K296 PolarHBondContact O-N 3.3Å
295	A	39	Very low	47.2	Very low	68 Å²	68	115.4 Å²	115.4	56%	0.562	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-53.5	127.1	171.5	0	0	0	0	0	109.3	F293 N297	F293-A295 PolarHBondContact O-N 2.83Å; F293-A295 VanDerWaalsContact O-N 3.1Å; A295-N297 PolarHBondContact O-N 2.89Å
296	K	32.3	Very low	46.7	Very low	200 Å²	200	117.1 Å²	117.1	87%	0.87	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-68.7	121.2	168.6	-72.3	-178.7	177.7	177.5	0	107.1	T294	T294-K296 PolarHBondContact O-N 3.3Å
297	N	28	Very low	46.4	Very low	152 Å²	152	109.4 Å²	109.4	81%	0.813	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-56.1	136.7	164.2	-77.9	-9.1	0	0	0	108.8	A295	A295-N297 PolarHBondContact O-N 2.89Å
298	P	40.9	Very low	46.1	Very low	198 Å²	198	113.5 Å²	113.5	100%	1.286	61%	0.605	S	S	*	*			trans	-69.8	0	172.4	31.9	-35.6	0	0	0	112.2

Retrieved 298 of 298 residues in 185.4 ms (Link to these results)

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