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Long-chain-fatty-acid--CoA ligase ACSBG1

Catalyzes the conversion of fatty acids such as long-chain and very long-chain fatty acids to their active form acyl-CoAs for both synthesis of cellular lipids, and degradation via beta-oxidation (By similarity)^1,2,3. Can activate diverse saturated, monosaturated and polyunsaturated fatty acids^4,5.

AlphaFold DB , UniProt , Accession Q99PU5, Species MOUSE (Mus musculus, Mouse), Gene Acsbg1, Length 721 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	37.8	Very low	30.4	Very low	223 Å²	223	139.7 Å²	139.7	100%	1.099	81%	0.807	S	S	*	*				0	148.9	0	-91.2	-155.3	-172.6	0	0	108.6
2	P	52.1	Low	30.2	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	81%	0.811	S	S	*	*			cis	-110	175.2	34.2	38.7	-29.1	0	0	0	112.3
3	R	31.8	Very low	29.7	Very low	227 Å²	227	138.2 Å²	138.2	86%	0.857	80%	0.8	S	S	*	*			cis	-174.1	134.8	-16.4	-100.2	169.3	-180	-177.7	-1.4	101.9
4	G	33.5	Very low	29.2	Very low	60 Å²	60	144.9 Å²	144.9	62%	0.619	81%	0.805	S	S	*	*				134.1	121.2	99.2	0	0	0	0	0	106.3
5	S	29.2	Very low	29.3	Very low	111 Å²	111	145.4 Å²	145.4	78%	0.776	81%	0.806	S	S	*	*				75.6	135.1	88.7	69.3	0	0	0	0	110.8
6	E	24.6	Very low	28.9	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	79%	0.794	S	S	*	*			cis	172.9	171	-3.5	-120.1	175.1	173.4	0	0	103.8
7	A	31	Very low	28.8	Very low	97 Å²	97	142.4 Å²	142.4	80%	0.802	80%	0.795	S	S	*	*			trans	73.5	120.3	164.8	0	0	0	0	0	115.9
8	G	23.6	Very low	28.5	Very low	68 Å²	68	144.6 Å²	144.6	70%	0.701	80%	0.801	S	S	*	*			cis	98.8	124.4	26	0	0	0	0	0	109.6
9	Y	26.6	Very low	29	Very low	224 Å²	224	142.3 Å²	142.3	88%	0.878	79%	0.793	S	S	*	*			trans	148.9	121.5	134.4	-90.9	-82.8	0	0	0	115.4
10	C	23.7	Very low	28.7	Very low	111 Å²	111	142.7 Å²	142.7	75%	0.75	79%	0.793	S	S	*	*			trans	75.8	107.1	134.5	-94.8	0	0	0	0	122.9
11	C	20.9	Very low	28.5	Very low	117 Å²	117	140.1 Å²	140.1	79%	0.791	79%	0.786	S	S	*	*			trans	-22.6	150.9	131.1	-55.4	0	0	0	0	117.7
12	L	28.3	Very low	27.8	Very low	164 Å²	164	140.1 Å²	140.1	86%	0.859	77%	0.773	S	S	*	*			trans	-177.2	106.6	138.6	-90.6	159.9	0	0	0	106.1
13	S	23.6	Very low	26.5	Very low	95 Å²	95	141 Å²	141	66%	0.664	77%	0.772	S	S	*	*				84.6	116	80.4	71.8	0	0	0	0	115.9
14	R	22.3	Very low	26.3	Very low	232 Å²	232	136.5 Å²	136.5	88%	0.875	77%	0.765	S	S	*	*			trans	40	126.3	139	-73.2	178.7	168.6	175.2	-3.9	121.1
15	D	30	Very low	25.6	Very low	153 Å²	153	141.6 Å²	141.6	82%	0.818	77%	0.772	S	S	*	*				-168.3	129.1	116.1	-92.5	-31.8	0	0	0	110
16	S	23.3	Very low	25.4	Very low	87 Å²	87	144.8 Å²	144.8	61%	0.608	78%	0.775	S	S	*	*				81.4	120	63.1	-41.7	0	0	0	0	115.2
17	N	27.1	Very low	25.1	Very low	153 Å²	153	145.3 Å²	145.3	82%	0.818	78%	0.778	S	S	*	*			trans	93.1	105.2	153.3	-60.3	-21.5	0	0	0	121.7
18	M	23.9	Very low	24.8	Very low	181 Å²	181	144.3 Å²	144.3	89%	0.892	78%	0.777	S	S	*	*				37.2	161.4	112.7	-97.1	-166.6	177	0	0	121.5
19	P	37.2	Very low	24.7	Very low	102 Å²	102	146 Å²	146	66%	0.662	78%	0.784	S	S	*	*			cis	-143.6	180	-12.7	40.9	-21.1	0	0	0	116
20	D	23.6	Very low	24.5	Very low	149 Å²	149	140.3 Å²	140.3	80%	0.797	78%	0.777	S	S	*	*			trans	61.8	132	136.9	-102.3	-31.7	0	0	0	126.3
21	S	24.7	Very low	24.5	Very low	90 Å²	90	143 Å²	143	63%	0.629	78%	0.783	S	S	*	*			trans	95.8	110.9	131.1	73.7	0	0	0	0	121
22	R	23.1	Very low	24.7	Very low	222 Å²	222	141.2 Å²	141.2	84%	0.838	78%	0.784	S	S	*	*				80.4	120.3	123.1	-74.6	-175.3	-173.2	-176.4	1.5	121.1
23	D	24.8	Very low	24.5	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	78%	0.783	S	S	*	*				94.4	133.3	129.3	-64.3	-21.6	0	0	0	120.6
24	D	26.6	Very low	24.6	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	79%	0.787	S	S	*	*			trans	86.3	100.9	154	-63.5	-28.6	0	0	0	121.6
25	Q	20.4	Very low	24.8	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	78%	0.783	S	S	*	*				32.3	112.3	119.5	-58.4	-173.5	9.7	0	0	117.3
26	Q	23.5	Very low	24.6	Very low	178 Å²	178	137 Å²	137	83%	0.832	78%	0.781	S	S	*	*				172.7	139.9	105.7	-94.4	178.3	2.1	0	0	111.7
27	Q	19.9	Very low	24.7	Very low	198 Å²	198	139.4 Å²	139.4	93%	0.925	79%	0.786	S	S	*	*			trans	-9.1	123.9	158.5	-65.1	169.9	0.1	0	0	117.4
28	G	23.8	Very low	24.8	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	77%	0.773	S	S	*	*			trans	-169.6	105.3	165.8	0	0	0	0	0	110.6
29	A	21.3	Very low	24.9	Very low	104 Å²	104	135.8 Å²	135.8	86%	0.86	77%	0.771	S	S	*	*			trans	-58.9	135.5	177.6	0	0	0	0	0	112.5
30	S	22.2	Very low	24.8	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	77%	0.766	S	S	*	*			trans	-177.9	128.3	134	45.2	0	0	0	0	112
31	L	24.9	Very low	25.7	Very low	168 Å²	168	129.6 Å²	129.6	88%	0.88	74%	0.738	S	S	*	*			trans	58.6	71.5	143.7	-62.2	159.5	0	0	0	116.4	T33	L31-T33 PolarHBondContact O-N 2.74Å
32	G	23.4	Very low	26.8	Very low	79 Å²	79	129 Å²	129	81%	0.814	73%	0.734	S	S	*	*			trans	-64.5	110.5	155	0	0	0	0	0	109.4	S34	G32-S34 PolarHBondContact O-N 2.95Å; G32-S34 VanDerWaalsContact O-N 3.08Å
33	T	24.9	Very low	28	Very low	137 Å²	137	119.7 Å²	119.7	84%	0.84	70%	0.701	S	S	*	*			trans	-51.4	106.8	165.9	33.4	0	0	0	0	109.6	L31 Q35	L31-T33 PolarHBondContact O-N 2.74Å; T33-Q35 PolarHBondContact O-N 2.79Å; T33-Q35 VanDerWaalsContact O-N 3.08Å
34	S	25.9	Very low	29.1	Very low	105 Å²	105	115 Å²	115	73%	0.734	68%	0.675	S	S	*	*			trans	-61.2	111.1	164.4	49.2	0	0	0	0	107.4	G32 D36	G32-S34 PolarHBondContact O-N 2.95Å; G32-S34 VanDerWaalsContact O-N 3.08Å; S34-D36 PolarHBondContact O-N 3.42Å
35	Q	25.4	Very low	30.1	Very low	170 Å²	170	113.5 Å²	113.5	79%	0.794	67%	0.668	S	S	*	*			trans	-56.3	112.7	163.2	-75.5	178.6	-21.5	0	0	107.5	T33 N37	T33-Q35 PolarHBondContact O-N 2.79Å; T33-Q35 VanDerWaalsContact O-N 3.08Å; Q35-N37 PolarHBondContact O-N 2.92Å
36	D	27.8	Very low	30.9	Very low	145 Å²	145	107.4 Å²	107.4	78%	0.775	65%	0.649	S	S	*	*			trans	-59	84.9	169.4	-92.2	-35.2	0	0	0	109.2	S34 S38	S34-D36 PolarHBondContact O-N 3.42Å; D36-S38 PolarHBondContact O-N 3.2Å; D36-S38 VanDerWaalsContact O-N 3.14Å
37	N	25.2	Very low	31.4	Very low	136 Å²	136	106 Å²	106	73%	0.727	64%	0.642	S	S	*	*			trans	-82.7	58.7	159.8	-85.5	-12.5	0	0	0	108.7	Q35 Q39	Q35-N37 PolarHBondContact O-N 2.92Å; N37-Q39 VanDerWaalsContact C-N 3.31Å
38	S	27.4	Very low	32.5	Very low	78 Å²	78	100.7 Å²	100.7	55%	0.545	62%	0.624	S	S	.	*			trans	-95.7	68.4	157.7	58.8	0	0	0	0	108.1	D36 T40	D36-S38 PolarHBondContact O-N 3.2Å; D36-S38 VanDerWaalsContact O-N 3.14Å; S38-T40 VanDerWaalsContact C-N 3.26Å; S38-T40 PolarHBondContact O-N 2.82Å; S38-T40 PolarHBondContact O-OG1 2.95Å
39	Q	27.3	Very low	33.3	Very low	180 Å²	180	97.7 Å²	97.7	84%	0.841	59%	0.59	S	S	*	*			trans	-61.4	97.3	163.8	-76.7	-175.3	-6.9	0	0	107.1	N37	N37-Q39 VanDerWaalsContact C-N 3.31Å
40	T	34.6	Very low	34.1	Very low	91 Å²	91	97.2 Å²	97.2	56%	0.558	58%	0.58	S	S	*	*			trans	-86.9	134	178.6	17.8	0	0	0	0	108.9	S38 S42	S38-T40 VanDerWaalsContact C-N 3.26Å; S38-T40 PolarHBondContact O-N 2.82Å; S38-T40 PolarHBondContact O-OG1 2.95Å; T40-S42 PolarHBondContact O-N 2.71Å
41	S	43.5	Very low	34.6	Very low	30 Å²	30	100.1 Å²	100.1	21%	0.21	58%	0.58	C	S	.	*			trans	-20.5	109.5	176.7	176	0	0	0	0	116.4	R123 E247	S41-R123 PolarHBondContact O-NH2 2.72Å; S41-R123 VanDerWaalsContact O-NH2 3.17Å; S41-E247 WeakPolarHBondContact CA-OE1 3.24Å; S41-E247 WeakPolarHBondContact CB-OE1 3.47Å; S41-E247 PolarHBondContact OG-OE1 2.77Å
42	S	46.6	Very low	35.2	Very low	79 Å²	79	95.9 Å²	95.9	55%	0.552	56%	0.555	S	S	*	*			trans	-103.4	55.3	171.5	69.5	0	0	0	0	111.9	T40 I44	T40-S42 PolarHBondContact O-N 2.71Å; S42-I44 PolarHBondContact O-N 2.99Å; S42-I44 VanDerWaalsContact O-N 3.08Å
43	L	48.7	Very low	35.8	Very low	25 Å²	25	96.3 Å²	96.3	13%	0.131	55%	0.546	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.7	172.2	-72.6	167.8	0	0	0	113.7	E166 M246 E247 I250	L43-E166 HydrophobicContact CD1-CG 3.97Å; L43-M246 HydrophobicContact CD1-CG 4.1Å; L43-M246 HydrophobicContact CD2-CG 3.98Å; L43-E247 HydrophobicContact CD2-CG 4.1Å; L43-E247 HydrophobicContact CG-CG 4.41Å; L43-I250 HydrophobicContact CD2-CD1 3.32Å
44	I	48.6	Very low	36.6	Very low	34 Å²	34	92.7 Å²	92.7	17%	0.174	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	54.6	-166.3	-42	165	0	0	0	109.8	S42 G46 F121 I130	S42-I44 PolarHBondContact O-N 2.99Å; S42-I44 VanDerWaalsContact O-N 3.08Å; I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 2.73Å; I44-F121 HydrophobicContact CD1-CE1 3.96Å; I44-F121 HydrophobicContact CD1-CE2 4.31Å; I44-F121 HydrophobicContact CD1-CZ 3.33Å; I44-I130 HydrophobicContact CD1-CD1 3.69Å; I44-I130 HydrophobicContact CD1-CG1 3.87Å; I44-I130 HydrophobicContact CG1-CD1 4.36Å
45	D	47.1	Very low	37.2	Very low	102 Å²	102	91.7 Å²	91.7	55%	0.545	52%	0.518	S	S	.	.			trans	-68.4	97.8	155.9	-95.8	-15.6	0	0	0	107.2	Q47 T48	D45-Q47 PolarHBondContact O-N 3.42Å; D45-T48 PolarHBondContact O-N 3.27Å
46	G	36.4	Very low	38	Very low	37 Å²	37	91 Å²	91	38%	0.381	51%	0.514	S	S	.	.	H	α-helix	trans	-55.3	-19.6	-178.3	0	0	0	0	0	113.6	I44 S50	I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 2.73Å; G46-S50 WeakPolarHBondContact O-CB 3.16Å; G46-S50 PolarHBondContact O-N 3.5Å; G46-S50 VanDerWaalsContact O-N 3.16Å; G46-S50 PolarHBondContact O-OG 3.26Å
47	Q	33.7	Very low	38.4	Very low	149 Å²	149	85.9 Å²	85.9	70%	0.696	50%	0.495	S	S	*	.	H	α-helix	trans	-73.9	-25.9	173.7	-70.6	-169.5	3.6	0	0	114.2	D45 S50 K51	D45-Q47 PolarHBondContact O-N 3.42Å; Q47-S50 PolarHBondContact O-OG 2.96Å; Q47-K51 WeakPolarHBondContact O-CD 3.33Å; Q47-K51 WeakPolarHBondContact O-CG 3.23Å
48	T	43.7	Very low	38.9	Very low	87 Å²	87	84.3 Å²	84.3	53%	0.534	49%	0.486	S	S	.	.	H	α-helix	trans	-84.9	-37.6	-179.7	-38.2	0	0	0	0	110.6	D45	D45-T48 PolarHBondContact O-N 3.27Å
49	L	40.8	Very low	38.9	Very low	13 Å²	13	89.6 Å²	89.6	7%	0.068	50%	0.503	C	S	.	.	H	α-helix	trans	-78.8	-27.1	177.5	-70.8	165.8	0	0	0	113.8	Q134 I138	L49-Q134 HydrophobicContact CD1-CG 4.45Å; L49-I138 HydrophobicContact CD1-CD1 4.32Å; L49-I138 HydrophobicContact CD2-CG1 4.48Å
50	S	38.7	Very low	39.2	Very low	94 Å²	94	87.4 Å²	87.4	66%	0.657	50%	0.496	S	S	*	.	S	Bend	trans	-77.4	-17.4	178.2	53.4	0	0	0	0	114.3	G46 Q47	G46-S50 WeakPolarHBondContact O-CB 3.16Å; G46-S50 PolarHBondContact O-N 3.5Å; G46-S50 VanDerWaalsContact O-N 3.16Å; G46-S50 PolarHBondContact O-OG 3.26Å; Q47-S50 PolarHBondContact O-OG 2.96Å
51	K	32.4	Very low	38.9	Very low	164 Å²	164	88 Å²	88	71%	0.713	50%	0.504	S	S	*	.	S	Bend	trans	-86.6	-16.2	179.6	-73.8	178.7	-176.5	176.5	0	113.9	Q47 S53	Q47-K51 WeakPolarHBondContact O-CD 3.33Å; Q47-K51 WeakPolarHBondContact O-CG 3.23Å; K51-S53 PolarHBondContact O-N 2.79Å; K51-S53 VanDerWaalsContact O-N 3.16Å
52	E	36.6	Very low	38.1	Very low	78 Å²	78	90.1 Å²	90.1	36%	0.364	52%	0.523	S	S	.	.			trans	-77.2	100.7	176.5	-76.5	174.7	179.8	0	0	109.6	Y133 K141	E52-Y133 PolarHBondContact O-OH 2.91Å; E52-K141 VanDerWaalsContact CD-NZ 3.25Å; E52-K141 IonicContact OE1-NZ 3.64Å; E52-K141 PolarHBondContact OE1-NZ 2.67Å; E52-K141 IonicContact OE2-NZ 3.31Å; E52-K141 PolarHBondContact OE2-NZ 2.85Å
53	S	35.8	Very low	37.3	Very low	89 Å²	89	92.4 Å²	92.4	62%	0.622	54%	0.536	S	S	*	.			trans	-68	137.7	173.3	-63.4	0	0	0	0	109.9	K51 S55	K51-S53 PolarHBondContact O-N 2.79Å; K51-S53 VanDerWaalsContact O-N 3.16Å; S53-S55 PolarHBondContact O-N 2.95Å
54	P	42.4	Very low	36.4	Very low	60 Å²	60	99.9 Å²	99.9	39%	0.39	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-67.7	10.5	-176.3	22.9	-31.3	0	0	0	115.4	H56 G57 L58 Y133	P54-H56 PolarHBondContact O-N 3.26Å; P54-H56 VanDerWaalsContact O-N 3.15Å; P54-G57 PolarHBondContact O-N 3.06Å; P54-L58 HydrophobicContact CB-CD1 3.61Å; P54-L58 HydrophobicContact CB-CG 4.08Å; P54-L58 HydrophobicContact CG-CD1 3.76Å; P54-L58 WeakPolarHBondContact O-CG 3.44Å; P54-L58 PolarHBondContact O-N 2.9Å; P54-Y133 VanDerWaalsContact CA-OH 3.31Å; P54-Y133 WeakPolarHBondContact CA-OH 3.36Å; P54-Y133 HydrophobicContact CB-CE2 3.93Å; P54-Y133 VanDerWaalsContact CB-OH 3.3Å; P54-Y133 WeakPolarHBondContact CB-OH 3.29Å
55	S	38.8	Very low	35.5	Very low	85 Å²	85	107.2 Å²	107.2	59%	0.594	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-61.9	-25.7	-174.3	55.3	0	0	0	0	113.9	S53 G57	S53-S55 PolarHBondContact O-N 2.95Å; S55-G57 VanDerWaalsContact C-N 3.3Å
56	H	41.5	Very low	34.9	Very low	156 Å²	156	105.6 Å²	105.6	72%	0.722	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-81.7	-5.9	175.9	-77.4	-58.4	0	0	0	114.4	P54	P54-H56 PolarHBondContact O-N 3.26Å; P54-H56 VanDerWaalsContact O-N 3.15Å
57	G	37.5	Very low	34.5	Very low	36 Å²	36	115 Å²	115	37%	0.371	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.8	-4.1	178.9	0	0	0	0	0	115.3	P54 S55 Y107	P54-G57 PolarHBondContact O-N 3.06Å; S55-G57 VanDerWaalsContact C-N 3.3Å; G57-Y107 WeakPolarHBondContact O-CE2 3.47Å; G57-Y107 VanDerWaalsContact O-CZ 3.26Å; G57-Y107 PolarHBondContact O-OH 3Å
58	L	34.4	Very low	34.5	Very low	104 Å²	104	112.3 Å²	112.3	55%	0.545	63%	0.629	S	S	.	*			trans	-101.6	-3.7	-163.9	-82.2	169.4	0	0	0	116.6	P54 L60	P54-L58 HydrophobicContact CB-CD1 3.61Å; P54-L58 HydrophobicContact CB-CG 4.08Å; P54-L58 HydrophobicContact CG-CD1 3.76Å; P54-L58 WeakPolarHBondContact O-CG 3.44Å; P54-L58 PolarHBondContact O-N 2.9Å; L58-L60 PolarHBondContact O-N 3.37Å
59	E	29	Very low	34.4	Very low	189 Å²	189	111.3 Å²	111.3	88%	0.883	63%	0.629	S	S	*	*			trans	-91.9	82.9	176.1	-72.9	-171.5	176	0	0	111.2	S61	E59-S61 PolarHBondContact O-N 3.4Å; E59-S61 VanDerWaalsContact O-N 3.11Å
60	L	32.3	Very low	34	Very low	133 Å²	133	115.4 Å²	115.4	70%	0.696	66%	0.659	S	S	*	*			trans	-60.1	110.2	147.9	-89.7	152.7	0	0	0	106.1	L58 A62 Y107	L58-L60 PolarHBondContact O-N 3.37Å; L60-A62 PolarHBondContact O-N 2.94Å; L60-Y107 HydrophobicContact CD1-CE1 3.95Å; L60-Y107 HydrophobicContact CG-CE1 4.39Å
61	S	27.8	Very low	34.2	Very low	105 Å²	105	117.8 Å²	117.8	73%	0.734	66%	0.663	S	S	*	*			trans	-47.7	121.7	153.6	51.6	0	0	0	0	106.2	E59	E59-S61 PolarHBondContact O-N 3.4Å; E59-S61 VanDerWaalsContact O-N 3.11Å
62	A	27	Very low	34.6	Very low	74 Å²	74	116.1 Å²	116.1	61%	0.612	66%	0.662	S	S	*	*			trans	-43.2	149	175.9	0	0	0	0	0	108.7	L60 E64	L60-A62 PolarHBondContact O-N 2.94Å; A62-E64 PolarHBondContact O-N 3.25Å
63	P	31.5	Very low	34.9	Very low	127 Å²	127	116.6 Å²	116.6	83%	0.825	69%	0.688	S	S	*	*			trans	-66.5	79.8	-172.8	29.1	-34.4	0	0	0	109.6	K65	P63-K65 PolarHBondContact O-N 2.91Å
64	E	28.7	Very low	35.6	Very low	182 Å²	182	115.9 Å²	115.9	85%	0.85	69%	0.688	S	S	*	*			trans	-58.2	98.6	154.3	-84.7	-159.1	148.8	0	0	102.9	A62 A66	A62-E64 PolarHBondContact O-N 3.25Å; E64-A66 PolarHBondContact O-N 2.8Å
65	K	28.7	Very low	36.7	Very low	187 Å²	187	121.1 Å²	121.1	81%	0.813	71%	0.707	S	S	*	*			trans	6.3	89.2	168.5	-74.2	174.5	175.5	175.2	0	108.3	P63 R67	P63-K65 PolarHBondContact O-N 2.91Å; K65-R67 WeakPolarHBondContact O-CA 3.31Å; K65-R67 PolarHBondContact O-N 3.11Å
66	A	34.6	Very low	38.8	Very low	68 Å²	68	119 Å²	119	56%	0.562	69%	0.688	S	S	*	*			trans	-42.9	101.9	173.2	0	0	0	0	0	104	E64 A68	E64-A66 PolarHBondContact O-N 2.8Å; A66-A68 PolarHBondContact O-N 2.9Å
67	R	28.6	Very low	41.3	Very low	236 Å²	236	114.1 Å²	114.1	89%	0.891	68%	0.675	S	S	*	*			trans	-56.8	110.6	-179.6	-89.6	178.3	170.3	176.9	-1.7	99.2	K65 A69	K65-R67 WeakPolarHBondContact O-CA 3.31Å; K65-R67 PolarHBondContact O-N 3.11Å; R67-A69 WeakPolarHBondContact O-CA 3.49Å; R67-A69 PolarHBondContact O-N 3.32Å
68	A	33.6	Very low	44	Very low	91 Å²	91	113.7 Å²	113.7	75%	0.752	66%	0.664	S	S	*	*			trans	-45.6	105.4	175.6	0	0	0	0	0	102.6	A66 S70	A66-A68 PolarHBondContact O-N 2.9Å; A68-S70 VanDerWaalsContact C-N 3.26Å; A68-S70 WeakPolarHBondContact O-CA 3.35Å; A68-S70 PolarHBondContact O-N 3.38Å
69	A	41.9	Very low	47	Very low	67 Å²	67	112 Å²	112	55%	0.554	65%	0.65	S	S	*	*			trans	-56.7	108.9	-168.6	0	0	0	0	0	101.7	R67 L71	R67-A69 WeakPolarHBondContact O-CA 3.49Å; R67-A69 PolarHBondContact O-N 3.32Å; A69-L71 VanDerWaalsContact C-N 3.29Å; A69-L71 PolarHBondContact O-N 3.46Å
70	S	32.6	Very low	50.3	Low	98 Å²	98	104 Å²	104	69%	0.685	61%	0.614	S	S	*	*			trans	-61.5	106.2	-170.8	44.5	0	0	0	0	103.2	A68 D72	A68-S70 VanDerWaalsContact C-N 3.26Å; A68-S70 WeakPolarHBondContact O-CA 3.35Å; A68-S70 PolarHBondContact O-N 3.38Å; S70-D72 VanDerWaalsContact C-N 3.26Å; S70-D72 PolarHBondContact O-N 3.36Å
71	L	42.9	Very low	53.4	Low	144 Å²	144	98.6 Å²	98.6	75%	0.754	59%	0.587	S	S	*	*			trans	-55.6	102.1	177	-72.4	162.9	0	0	0	104.5	A69 G73	A69-L71 VanDerWaalsContact C-N 3.29Å; A69-L71 PolarHBondContact O-N 3.46Å; L71-G73 PolarHBondContact O-N 2.66Å
72	D	40.2	Very low	56.7	Low	129 Å²	129	100.5 Å²	100.5	69%	0.69	58%	0.578	S	S	*	*			trans	-67.8	102.9	-164.7	-129.4	-8.1	0	0	0	108.5	S70 A74	S70-D72 VanDerWaalsContact C-N 3.26Å; S70-D72 PolarHBondContact O-N 3.36Å; D72-A74 PolarHBondContact O-N 2.69Å
73	G	43.1	Very low	60.1	Low	88 Å²	88	97.5 Å²	97.5	91%	0.907	55%	0.553	S	S	*	*	S	Bend	trans	61.2	-22.8	146.2	0	0	0	0	0	121.5	L71	L71-G73 PolarHBondContact O-N 2.66Å
74	A	50.1	Low	63.2	Low	75 Å²	75	95.6 Å²	95.6	62%	0.62	54%	0.536	S	S	*	.	S	Bend	trans	-117.4	124.2	176.3	0	0	0	0	0	108.3	D72 E76	D72-A74 PolarHBondContact O-N 2.69Å; A74-E76 PolarHBondContact O-N 3.01Å
75	E	67	Low	66.4	Low	170 Å²	170	87.4 Å²	87.4	79%	0.794	50%	0.501	S	S	*	.			trans	-56.8	108.7	173.5	-132.8	-173.4	152.2	0	0	108.2	A77 R88	E75-A77 PolarHBondContact O-N 3Å; E75-R88 IonicContact OE1-NH1 2.99Å; E75-R88 PolarHBondContact OE1-NH1 3.19Å
76	E	83	Confident	69.6	Low	39 Å²	39	84 Å²	84	18%	0.182	48%	0.483	C	S	.	.			trans	-60.3	136.7	-179	-66.9	179.9	155.7	0	0	109.5	A74 R86 R88 N271	A74-E76 PolarHBondContact O-N 3.01Å; E76-R86 IonicContact OE1-CZ 3.72Å; E76-R86 IonicContact OE1-NE 3.42Å; E76-R86 PolarHBondContact OE1-NE 2.83Å; E76-R88 HydrophobicContact CB-CB 4Å; E76-R88 WeakPolarHBondContact O-CB 3.36Å; E76-N271 PolarHBondContact OE1-ND2 3.19Å; E76-N271 PolarHBondContact OE2-ND2 3.18Å
77	A	93.5	Very high	72.6	Confident	55 Å²	55	81 Å²	81	46%	0.455	46%	0.457	S	S	.	.			trans	-68.8	156.5	177.2	0	0	0	0	0	111.1	E75 W79 V87 R88	E75-A77 PolarHBondContact O-N 3Å; A77-W79 WeakPolarHBondContact CB-O 3.4Å; A77-W79 PolarHBondContact O-N 2.75Å; A77-V87 CarbonylContact O-C 3.54Å; A77-V87 VanDerWaalsContact O-CA 3.29Å; A77-V87 WeakPolarHBondContact O-CA 3.43Å; A77-R88 PolarHBondContact O-N 2.75Å
78	L	94.8	Very high	75.8	Confident	26 Å²	26	74.7 Å²	74.7	14%	0.136	43%	0.433	C	S	.	.	S	Bend	trans	-70.6	-12.3	176.4	-73.1	168.7	0	0	0	113.5	R88 R90	L78-R88 HydrophobicContact CD2-CB 4.48Å; L78-R90 HydrophobicContact CD2-CG 4.1Å; L78-R90 PolarHBondContact O-NH2 3.12Å
79	W	97.1	Very high	78.7	Confident	69 Å²	69	71.9 Å²	71.9	26%	0.261	41%	0.405	S	S	.	.			trans	-150.6	161.6	179.4	60	-101.1	0	0	0	110.7	A77 T81 M524 E530 T533 C534 I537	A77-W79 WeakPolarHBondContact CB-O 3.4Å; A77-W79 PolarHBondContact O-N 2.75Å; W79-T81 HydrophobicContact CE3-CG2 4.47Å; W79-T81 HydrophobicContact CZ3-CG2 4.29Å; W79-M524 CarbonylContact C-O 3.3Å; W79-M524 WeakPolarHBondContact CA-O 3.49Å; W79-M524 WeakPolarHBondContact CB-O 3.3Å; W79-E530 HydrophobicContact CH2-CG 3.89Å; W79-E530 HydrophobicContact CZ3-CG 4.05Å; W79-T533 HydrophobicContact CB-CG2 3.97Å; W79-T533 HydrophobicContact CD2-CG2 3.8Å; W79-T533 HydrophobicContact CE3-CG2 3.62Å; W79-T533 HydrophobicContact CG-CG2 3.96Å; W79-T533 HydrophobicContact CZ3-CG2 4.4Å; W79-C534 WeakPolarHBondContact CZ2-SG 3.44Å; W79-I537 HydrophobicContact CB-CD1 3.69Å; W79-I537 HydrophobicContact CG-CD1 4.32Å
80	T	97.3	Very high	81.1	Confident	20 Å²	20	69.3 Å²	69.3	12%	0.123	38%	0.381	C	S	.	.			trans	-150.8	158.5	172.1	-175.8	0	0	0	0	108.9	R82 V87 M290 M524 G525	T80-R82 PolarHBondContact OG1-N 2.87Å; T80-V87 HydrophobicContact CG2-CG1 3.73Å; T80-M290 HydrophobicContact CG2-CE 4.27Å; T80-M290 WeakPolarHBondContact O-CE 3.23Å; T80-M524 HydrophobicContact CG2-CB 4.27Å; T80-M524 HydrophobicContact CG2-CE 3.82Å; T80-M524 PolarHBondContact N-O 2.59Å; T80-M524 CarbonylContact O-C 3.55Å; T80-G525 WeakPolarHBondContact O-CA 3.46Å
81	T	97.8	Very high	83.8	Confident	20 Å²	20	68 Å²	68	12%	0.123	37%	0.367	C	S	.	.	S	Bend	trans	-110.5	3.7	173.1	58	0	0	0	0	112.9	W79 M290 Y526 N528 E530 T533	W79-T81 HydrophobicContact CE3-CG2 4.47Å; W79-T81 HydrophobicContact CZ3-CG2 4.29Å; T81-M290 VanDerWaalsContact C-CE 3.46Å; T81-M290 VanDerWaalsContact CA-CE 3.46Å; T81-Y526 WeakPolarHBondContact CB-O 3.33Å; T81-Y526 VanDerWaalsContact CG2-O 3.3Å; T81-Y526 WeakPolarHBondContact CG2-O 3.5Å; T81-N528 PolarHBondContact O-N 3.37Å; T81-E530 HydrophobicContact CG2-CB 4.21Å; T81-T533 HydrophobicContact CG2-CG2 4.38Å; T81-T533 WeakPolarHBondContact CG2-OG1 3.41Å
82	R	97.9	Very high	85.5	Confident	146 Å²	146	64.8 Å²	64.8	55%	0.551	35%	0.348	S	S	*	.			trans	-98.8	130	-178.9	-60.2	173.1	53	144.3	-1.4	111	T80 D84 G85	T80-R82 PolarHBondContact OG1-N 2.87Å; R82-D84 VanDerWaalsContact CB-OD1 3.31Å; R82-D84 WeakPolarHBondContact CB-OD1 3.44Å; R82-D84 IonicContact CZ-OD1 3.51Å; R82-D84 IonicContact CZ-OD2 3.84Å; R82-D84 IonicContact NE-OD1 2.95Å; R82-D84 PolarHBondContact NE-OD1 2.65Å; R82-D84 IonicContact NH2-OD1 3.2Å; R82-D84 PolarHBondContact NH2-OD1 3.38Å; R82-D84 IonicContact NH2-OD2 2.82Å; R82-D84 PolarHBondContact NH2-OD2 3.38Å; R82-D84 PolarHBondContact O-N 3.49Å; R82-G85 PolarHBondContact O-N 3.14Å
83	A	97.4	Very high	87.3	Confident	10 Å²	10	63.9 Å²	63.9	8%	0.083	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.8	175.7	0	0	0	0	0	113.8	G85 I180 L527	A83-G85 VanDerWaalsContact C-N 3.32Å; A83-I180 HydrophobicContact CB-CD1 3.78Å; A83-L527 HydrophobicContact CB-CD1 3.82Å
84	D	96.7	Very high	89.1	Confident	87 Å²	87	68.9 Å²	68.9	47%	0.465	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.1	176.6	69.5	-21.8	0	0	0	113.3	R82 A154	R82-D84 VanDerWaalsContact CB-OD1 3.31Å; R82-D84 WeakPolarHBondContact CB-OD1 3.44Å; R82-D84 IonicContact CZ-OD1 3.51Å; R82-D84 IonicContact CZ-OD2 3.84Å; R82-D84 IonicContact NE-OD1 2.95Å; R82-D84 PolarHBondContact NE-OD1 2.65Å; R82-D84 IonicContact NH2-OD1 3.2Å; R82-D84 PolarHBondContact NH2-OD1 3.38Å; R82-D84 IonicContact NH2-OD2 2.82Å; R82-D84 PolarHBondContact NH2-OD2 3.38Å; R82-D84 PolarHBondContact O-N 3.49Å; D84-A154 HydrophobicContact CB-CB 3.83Å
85	G	95.7	Very high	90.4	Very high	11 Å²	11	67.5 Å²	67.5	11%	0.113	33%	0.331	C	S	.	.			trans	-74.8	168.3	-179	0	0	0	0	0	113.7	R82 A83 M524	R82-G85 PolarHBondContact O-N 3.14Å; A83-G85 VanDerWaalsContact C-N 3.32Å; G85-M524 WeakPolarHBondContact O-CE 3.36Å
86	R	96.6	Very high	91.2	Very high	116 Å²	116	66 Å²	66	44%	0.438	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-126.4	154.6	171.2	-67.1	-175.1	-66.1	-176.3	2.2	109.5	E76 N271 Q272	E76-R86 IonicContact OE1-CZ 3.72Å; E76-R86 IonicContact OE1-NE 3.42Å; E76-R86 PolarHBondContact OE1-NE 2.83Å; R86-N271 WeakPolarHBondContact CA-O 3.48Å; R86-Q272 HydrophobicContact CG-CG 3.8Å
87	V	96.6	Very high	91.3	Very high	4 Å²	4	66 Å²	66	2%	0.024	33%	0.334	C	S	.	.			trans	-128.5	147.5	177.5	-63	0	0	0	0	111.9	A77 T80 L89 N271 M524	A77-V87 CarbonylContact O-C 3.54Å; A77-V87 VanDerWaalsContact O-CA 3.29Å; A77-V87 WeakPolarHBondContact O-CA 3.43Å; T80-V87 HydrophobicContact CG2-CG1 3.73Å; V87-L89 PolarHBondContact O-N 3.5Å; V87-L89 VanDerWaalsContact O-N 3.14Å; V87-N271 PolarHBondContact N-O 3.02Å; V87-N271 WeakPolarHBondContact O-CB 3.45Å; V87-M524 HydrophobicContact CG1-CB 3.93Å; V87-M524 HydrophobicContact CG1-CE 3.97Å; V87-M524 HydrophobicContact CG1-CG 4.12Å; V87-M524 HydrophobicContact CG2-CE 4.25Å; V87-M524 HydrophobicContact CG2-CG 3.89Å
88	R	95.4	Very high	91.2	Very high	103 Å²	103	71.8 Å²	71.8	39%	0.389	34%	0.344	S	S	.	.			trans	-65.9	115.4	167.6	179.1	173	72.2	-178.6	1.6	109.1	E75 E76 A77 L78 R90	E75-R88 IonicContact OE1-NH1 2.99Å; E75-R88 PolarHBondContact OE1-NH1 3.19Å; E76-R88 HydrophobicContact CB-CB 4Å; E76-R88 WeakPolarHBondContact O-CB 3.36Å; A77-R88 PolarHBondContact O-N 2.75Å; L78-R88 HydrophobicContact CD2-CB 4.48Å; R88-R90 PolarHBondContact O-N 3.42Å
89	L	94.3	Very high	91.3	Very high	32 Å²	32	71.9 Å²	71.9	17%	0.168	35%	0.346	C	S	.	.			trans	-62.2	136.8	175.9	-60.7	180	0	0	0	110.3	V87 L91 P99 P270 N271 D294	V87-L89 PolarHBondContact O-N 3.5Å; V87-L89 VanDerWaalsContact O-N 3.14Å; L89-L91 HydrophobicContact CB-CD1 4.13Å; L89-L91 HydrophobicContact CB-CD2 4.44Å; L89-L91 HydrophobicContact CB-CG 3.85Å; L89-L91 PolarHBondContact O-N 2.86Å; L89-P99 HydrophobicContact CD1-CB 3.69Å; L89-P99 HydrophobicContact CD1-CG 3.54Å; L89-P270 HydrophobicContact CD1-CB 4.29Å; L89-N271 HydrophobicContact CD1-CB 4.44Å; L89-N271 HydrophobicContact CD2-CB 3.88Å; L89-N271 HydrophobicContact CG-CB 3.98Å; L89-D294 HydrophobicContact CD1-CB 4.05Å; L89-D294 HydrophobicContact CD2-CB 3.68Å
90	R	93	Very high	91.3	Very high	13 Å²	13	69.7 Å²	69.7	5%	0.049	34%	0.338	C	S	.	.			trans	-77.4	66.3	179	-68.2	177.8	-172.2	75.2	3	110.4	L78 R88 W518 G519 I522 G541	L78-R90 HydrophobicContact CD2-CG 4.1Å; L78-R90 PolarHBondContact O-NH2 3.12Å; R88-R90 PolarHBondContact O-N 3.42Å; R90-W518 HydrophobicContact CB-CD2 4.41Å; R90-W518 HydrophobicContact CB-CE3 4.48Å; R90-W518 HydrophobicContact CB-CH2 3.76Å; R90-W518 HydrophobicContact CB-CZ2 3.66Å; R90-W518 HydrophobicContact CB-CZ3 4.18Å; R90-W518 HydrophobicContact CG-CZ2 3.97Å; R90-G519 WeakPolarHBondContact CD-O 3.2Å; R90-I522 PolarHBondContact NH1-O 3.05Å; R90-G541 PolarHBondContact NE-O 3.12Å
91	L	88.8	Confident	91.4	Very high	72 Å²	72	69 Å²	69	38%	0.377	33%	0.334	S	S	.	.			trans	-94.2	130.8	178.9	-58.7	175.1	0	0	0	110.4	L89 P99 R520	L89-L91 HydrophobicContact CB-CD1 4.13Å; L89-L91 HydrophobicContact CB-CD2 4.44Å; L89-L91 HydrophobicContact CB-CG 3.85Å; L89-L91 PolarHBondContact O-N 2.86Å; L91-P99 HydrophobicContact CD1-CG 3.84Å; L91-P99 HydrophobicContact CD2-CG 4.18Å; L91-R520 VanDerWaalsContact CD2-CD 3.49Å; L91-R520 HydrophobicContact CD2-CG 3.97Å
92	E	80.3	Confident	91.4	Very high	75 Å²	75	68.1 Å²	68.1	35%	0.35	33%	0.328	S	S	.	.			trans	-73	149.3	169.6	-70.4	-74.6	-172.3	0	0	110.8	F94 C95 R501 W518	E92-F94 PolarHBondContact O-N 3.46Å; E92-F94 VanDerWaalsContact O-N 3.08Å; E92-C95 HydrophobicContact CB-CB 4.31Å; E92-C95 WeakPolarHBondContact O-CB 3.32Å; E92-C95 PolarHBondContact O-N 3.21Å; E92-R501 IonicContact OE1-CZ 3.73Å; E92-R501 IonicContact OE1-NE 2.82Å; E92-R501 PolarHBondContact OE1-NE 3.05Å; E92-R501 IonicContact OE1-NH1 3.21Å; E92-R501 PolarHBondContact OE1-NH1 3.46Å; E92-R501 IonicContact OE1-NH2 3.16Å; E92-W518 HydrophobicContact CG-CZ3 4.42Å
93	P	77.6	Confident	91.4	Very high	111 Å²	111	62.3 Å²	62.3	72%	0.721	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29	179.9	-26.5	34.6	0	0	0	114.5
94	F	79.4	Confident	91.5	Very high	193 Å²	193	65.6 Å²	65.6	85%	0.846	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	10.1	179.8	-52	-71.9	0	0	0	113.2	E92 T96	E92-F94 PolarHBondContact O-N 3.46Å; E92-F94 VanDerWaalsContact O-N 3.08Å; F94-T96 PolarHBondContact O-N 2.97Å
95	C	78.9	Confident	91.6	Very high	45 Å²	45	61.6 Å²	61.6	30%	0.304	30%	0.299	S	S	.	.			trans	-69.4	115.2	-179.5	-172.7	0	0	0	0	110.6	E92 Q97	E92-C95 HydrophobicContact CB-CB 4.31Å; E92-C95 WeakPolarHBondContact O-CB 3.32Å; E92-C95 PolarHBondContact O-N 3.21Å; C95-Q97 VanDerWaalsContact C-N 3.29Å
96	T	82.4	Confident	91.7	Very high	139 Å²	139	61 Å²	61	85%	0.853	29%	0.294	S	S	*	.			trans	-83.5	-6.5	175.5	55.4	0	0	0	0	113.2	F94 R98	F94-T96 PolarHBondContact O-N 2.97Å; T96-R98 PolarHBondContact O-N 3.45Å
97	Q	85.8	Confident	91.7	Very high	38 Å²	38	57.2 Å²	57.2	18%	0.178	28%	0.28	C	S	.	.			trans	-86.7	94.5	-171.6	-51.7	174.7	-15.9	0	0	110.1	C95 Y302 R520	C95-Q97 VanDerWaalsContact C-N 3.29Å; Q97-Y302 HydrophobicContact CB-CE2 4.05Å; Q97-Y302 WeakPolarHBondContact CB-OH 3.37Å; Q97-Y302 HydrophobicContact CG-CE1 4.04Å; Q97-Y302 HydrophobicContact CG-CE2 4.09Å; Q97-Y302 VanDerWaalsContact CG-OH 3.23Å; Q97-Y302 WeakPolarHBondContact CG-OH 3.41Å; Q97-R520 PolarHBondContact O-NH1 3.36Å
98	R	92.4	Very high	91.7	Very high	177 Å²	177	62.2 Å²	62.2	67%	0.668	30%	0.303	S	S	*	.			trans	-61.7	132.6	-179.7	-172.3	-178.3	174.8	-170.6	-1.6	111.4	T96 Y100	T96-R98 PolarHBondContact O-N 3.45Å; R98-Y100 VanDerWaalsContact O-CD1 3.3Å; R98-Y100 WeakPolarHBondContact O-CD1 3.42Å
99	P	95.9	Very high	91.8	Very high	28 Å²	28	57.5 Å²	57.5	18%	0.182	29%	0.286	C	S	.	.			trans	-63.7	138.2	166	-24.6	36	0	0	0	112.6	L89 L91 P270 D294	L89-P99 HydrophobicContact CD1-CB 3.69Å; L89-P99 HydrophobicContact CD1-CG 3.54Å; L91-P99 HydrophobicContact CD1-CG 3.84Å; L91-P99 HydrophobicContact CD2-CG 4.18Å; P99-P270 HydrophobicContact CB-CB 3.57Å; P99-P270 HydrophobicContact CB-CG 3.82Å; P99-D294 WeakPolarHBondContact CA-OD1 3.33Å; P99-D294 VanDerWaalsContact CB-OD1 3.27Å; P99-D294 WeakPolarHBondContact CB-OD1 3.39Å
100	Y	97.2	Very high	92	Very high	24 Å²	24	57.1 Å²	57.1	9%	0.094	28%	0.284	C	S	.	.			trans	-144.1	159.4	175	54.9	-90.4	0	0	0	110.6	R98 Q104 M105 T297 R301 Q340	R98-Y100 VanDerWaalsContact O-CD1 3.3Å; R98-Y100 WeakPolarHBondContact O-CD1 3.42Å; Y100-Q104 VanDerWaalsContact CA-OE1 3.28Å; Y100-Q104 VanDerWaalsContact CB-OE1 3.24Å; Y100-Q104 HydrophobicContact CD2-CB 4.5Å; Y100-M105 HydrophobicContact CD2-CB 3.86Å; Y100-M105 HydrophobicContact CE2-CB 3.53Å; Y100-M105 HydrophobicContact CE2-CG 3.76Å; Y100-M105 HydrophobicContact CE2-SD 4.37Å; Y100-T297 HydrophobicContact CD2-CG2 3.95Å; Y100-T297 HydrophobicContact CE2-CG2 3.91Å; Y100-T297 WeakPolarHBondContact O-CG2 3.25Å; Y100-T297 PolarHBondContact O-OG1 3.38Å; Y100-R301 VanDerWaalsContact OH-CD 3.31Å; Y100-R301 WeakPolarHBondContact OH-CD 3.23Å; Y100-Q340 PolarHBondContact OH-OE1 3.2Å
101	T	98.6	Very high	92.1	Very high	6 Å²	6	62.3 Å²	62.3	4%	0.037	31%	0.313	C	S	.	.			trans	-81.8	162.5	-179.3	66.6	0	0	0	0	111.7	H103 Q104 M105 Q268 P270	T101-H103 PolarHBondContact O-N 3.27Å; T101-Q104 PolarHBondContact O-N 2.96Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.43Å; T101-Q104 PolarHBondContact OG1-N 3.15Å; T101-M105 PolarHBondContact O-N 3.36Å; T101-Q268 HydrophobicContact CG2-CB 4.3Å; T101-P270 HydrophobicContact CG2-CG 4.32Å
102	V	98.6	Very high	92.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-35.5	174.6	167.8	0	0	0	0	111.6	M105 F106 V175 Q293 I296 T297 W336	V102-M105 WeakPolarHBondContact O-CB 3.07Å; V102-M105 PolarHBondContact O-N 3.43Å; V102-F106 PolarHBondContact O-N 3.21Å; V102-V175 HydrophobicContact CB-CG1 3.85Å; V102-V175 HydrophobicContact CG1-CG1 4.04Å; V102-V175 HydrophobicContact CG2-CG1 4.32Å; V102-Q293 VanDerWaalsContact CB-OE1 3.23Å; V102-I296 HydrophobicContact CG2-CB 4.28Å; V102-I296 HydrophobicContact CG2-CG2 3.92Å; V102-T297 HydrophobicContact CG2-CG2 3.95Å; V102-W336 HydrophobicContact CG1-CE3 4.1Å; V102-W336 HydrophobicContact CG1-CH2 4.16Å; V102-W336 HydrophobicContact CG1-CZ3 3.47Å; V102-W336 VanDerWaalsContact CG1-CZ3 3.47Å; V102-W336 HydrophobicContact CG2-CZ3 4.48Å
103	H	98.6	Very high	93.2	Very high	25 Å²	25	61.5 Å²	61.5	12%	0.116	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-48	174.5	176	-87.5	0	0	0	111.6	T101 M105 F106 Y107 Y136 F176 I265	T101-H103 PolarHBondContact O-N 3.27Å; H103-M105 VanDerWaalsContact C-N 3.31Å; H103-M105 PolarHBondContact O-N 2.98Å; H103-F106 PolarHBondContact O-N 2.84Å; H103-Y107 VanDerWaalsContact O-CB 3.3Å; H103-Y107 WeakPolarHBondContact O-CB 3.35Å; H103-Y107 PolarHBondContact O-N 2.91Å; H103-Y136 AromaticContact NE2-CE2 3.86Å; H103-Y136 AromaticContact NE2-CZ 3.85Å; H103-Y136 PolarHBondContact NE2-OH 3.45Å; H103-F176 HydrophobicContact CB-CD1 4Å; H103-F176 HydrophobicContact CB-CE1 3.79Å; H103-F176 AromaticContact CD2-CE1 3.73Å; H103-F176 AromaticContact CD2-CZ 3.74Å; H103-I265 HydrophobicContact CB-CG2 3.89Å; H103-I265 VanDerWaalsContact CG-CG2 3.41Å; H103-I265 WeakPolarHBondContact ND1-CG2 3.22Å
104	Q	98.5	Very high	94.2	Very high	79 Å²	79	56.6 Å²	56.6	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-58	-43.7	174.9	-71.8	168.8	-23.3	0	0	111.4	Y100 T101 F106 Y107 E108	Y100-Q104 VanDerWaalsContact CA-OE1 3.28Å; Y100-Q104 VanDerWaalsContact CB-OE1 3.24Å; Y100-Q104 HydrophobicContact CD2-CB 4.5Å; T101-Q104 PolarHBondContact O-N 2.96Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.43Å; T101-Q104 PolarHBondContact OG1-N 3.15Å; Q104-F106 PolarHBondContact O-N 2.95Å; Q104-Y107 PolarHBondContact O-N 3.05Å; Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 WeakPolarHBondContact O-CG 3.33Å; Q104-E108 PolarHBondContact O-N 3.49Å
105	M	98.3	Very high	95	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-54.9	-49.4	175.3	-172.9	175.3	68.8	0	0	112.4	Y100 T101 V102 H103 A109 T297 A300 W336 I339 Q340	Y100-M105 HydrophobicContact CD2-CB 3.86Å; Y100-M105 HydrophobicContact CE2-CB 3.53Å; Y100-M105 HydrophobicContact CE2-CG 3.76Å; Y100-M105 HydrophobicContact CE2-SD 4.37Å; T101-M105 PolarHBondContact O-N 3.36Å; V102-M105 WeakPolarHBondContact O-CB 3.07Å; V102-M105 PolarHBondContact O-N 3.43Å; H103-M105 VanDerWaalsContact C-N 3.31Å; H103-M105 PolarHBondContact O-N 2.98Å; M105-A109 WeakPolarHBondContact O-CB 3.45Å; M105-A109 PolarHBondContact O-N 3.12Å; M105-T297 HydrophobicContact CB-CG2 4.02Å; M105-T297 HydrophobicContact CE-CG2 4.44Å; M105-T297 HydrophobicContact SD-CG2 3.9Å; M105-A300 HydrophobicContact SD-CB 4.12Å; M105-W336 HydrophobicContact CE-CE3 4.11Å; M105-I339 HydrophobicContact CE-CB 4.27Å; M105-I339 HydrophobicContact CE-CG2 4.03Å; M105-Q340 HydrophobicContact CG-CB 4.48Å; M105-Q340 HydrophobicContact SD-CB 4.03Å
106	F	98.6	Very high	95.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.7	-45	-177.7	-158.4	-18.4	0	0	0	110	V102 H103 Q104 E108 A109 L110 Y132 Y135 Y136 V172 F176 I339	V102-F106 PolarHBondContact O-N 3.21Å; H103-F106 PolarHBondContact O-N 2.84Å; Q104-F106 PolarHBondContact O-N 2.95Å; F106-E108 PolarHBondContact O-N 3.28Å; F106-A109 WeakPolarHBondContact O-CA 3.45Å; F106-A109 WeakPolarHBondContact O-CB 3.36Å; F106-A109 PolarHBondContact O-N 3.31Å; F106-L110 HydrophobicContact CD1-CD2 4.24Å; F106-L110 HydrophobicContact CD1-CG 4.5Å; F106-L110 HydrophobicContact CE1-CD2 3.99Å; F106-L110 PolarHBondContact O-N 2.92Å; F106-Y132 AromaticContact CE1-CD1 3.88Å; F106-Y132 HydrophobicContact CE1-CD1 3.88Å; F106-Y132 HydrophobicContact CZ-CD1 4.44Å; F106-Y135 HydrophobicContact CE1-CD1 4.39Å; F106-Y135 AromaticContact CE2-CD1 3.93Å; F106-Y135 HydrophobicContact CE2-CD1 3.93Å; F106-Y135 HydrophobicContact CE2-CD2 4.44Å; F106-Y135 AromaticContact CE2-CE1 3.83Å; F106-Y135 HydrophobicContact CE2-CE1 3.83Å; F106-Y135 HydrophobicContact CE2-CE2 4.34Å; F106-Y135 HydrophobicContact CE2-CG 4.24Å; F106-Y135 AromaticContact CZ-CD1 3.4Å; F106-Y135 HydrophobicContact CZ-CD1 3.4Å; F106-Y135 HydrophobicContact CZ-CD2 4.33Å; F106-Y135 AromaticContact CZ-CE1 3.76Å; F106-Y135 HydrophobicContact CZ-CE1 3.76Å; F106-Y135 AromaticContact CZ-CG 3.72Å; F106-Y135 HydrophobicContact CZ-CG 3.72Å; F106-Y136 HydrophobicContact CD1-CD2 4.26Å; F106-Y136 HydrophobicContact CD2-CD2 4.3Å; F106-Y136 HydrophobicContact CE1-CD2 4.45Å; F106-Y136 HydrophobicContact CG-CD2 4.15Å; F106-V172 HydrophobicContact CD2-CG1 3.73Å; F106-V172 HydrophobicContact CD2-CG2 4.39Å; F106-V172 HydrophobicContact CE2-CG1 3.84Å; F106-V172 HydrophobicContact CE2-CG2 4.22Å; F106-F176 HydrophobicContact CB-CZ 4.29Å; F106-F176 AromaticContact CD2-CZ 3.84Å; F106-F176 HydrophobicContact CD2-CZ 3.84Å; F106-F176 HydrophobicContact CG-CZ 4.39Å; F106-I339 HydrophobicContact CB-CG2 3.72Å; F106-I339 HydrophobicContact CD1-CG2 3.73Å; F106-I339 HydrophobicContact CD2-CD1 3.83Å; F106-I339 HydrophobicContact CD2-CG1 4.33Å; F106-I339 HydrophobicContact CD2-CG2 4.13Å; F106-I339 HydrophobicContact CE1-CG2 4.43Å; F106-I339 HydrophobicContact CE2-CD1 3.93Å; F106-I339 HydrophobicContact CE2-CG1 4.29Å; F106-I339 HydrophobicContact CG-CD1 4.4Å; F106-I339 HydrophobicContact CG-CG2 3.59Å; F106-I339 HydrophobicContact CZ-CG1 4.48Å
107	Y	97.6	Very high	96.7	Very high	36 Å²	36	49.9 Å²	49.9	14%	0.141	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-47.2	179.4	-171.1	-92.4	0	0	0	112.2	G57 L60 H103 Q104 A109 L110	G57-Y107 WeakPolarHBondContact O-CE2 3.47Å; G57-Y107 VanDerWaalsContact O-CZ 3.26Å; G57-Y107 PolarHBondContact O-OH 3Å; L60-Y107 HydrophobicContact CD1-CE1 3.95Å; L60-Y107 HydrophobicContact CG-CE1 4.39Å; H103-Y107 VanDerWaalsContact O-CB 3.3Å; H103-Y107 WeakPolarHBondContact O-CB 3.35Å; H103-Y107 PolarHBondContact O-N 2.91Å; Q104-Y107 PolarHBondContact O-N 3.05Å; Y107-A109 PolarHBondContact O-N 2.89Å; Y107-L110 HydrophobicContact CD2-CD1 4.47Å; Y107-L110 WeakPolarHBondContact O-CB 3.4Å; Y107-L110 PolarHBondContact O-N 3.23Å
108	E	96.6	Very high	97.3	Very high	109 Å²	109	48.1 Å²	48.1	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-30.6	174.8	-71.9	178.7	-172.6	0	0	113.1	Q104 F106 L110	Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 WeakPolarHBondContact O-CG 3.33Å; Q104-E108 PolarHBondContact O-N 3.49Å; F106-E108 PolarHBondContact O-N 3.28Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.84Å
109	A	97	Very high	97.6	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-69.8	-25.3	175.6	0	0	0	0	0	112.5	M105 F106 Y107 K112 Y113 I339	M105-A109 WeakPolarHBondContact O-CB 3.45Å; M105-A109 PolarHBondContact O-N 3.12Å; F106-A109 WeakPolarHBondContact O-CA 3.45Å; F106-A109 WeakPolarHBondContact O-CB 3.36Å; F106-A109 PolarHBondContact O-N 3.31Å; Y107-A109 PolarHBondContact O-N 2.89Å; A109-K112 PolarHBondContact O-N 3.04Å; A109-Y113 HydrophobicContact CB-CD2 4Å; A109-Y113 HydrophobicContact CB-CE2 4.49Å; A109-Y113 WeakPolarHBondContact O-CA 3.2Å; A109-Y113 WeakPolarHBondContact O-CB 2.94Å; A109-Y113 PolarHBondContact O-N 3.47Å; A109-I339 VanDerWaalsContact CB-O 3.25Å; A109-I339 WeakPolarHBondContact CB-O 3.4Å
110	L	98	Very high	97.7	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-37.3	179.7	-63.7	178.1	0	0	0	112.7	F106 Y107 E108 K112 G114 Y136	F106-L110 HydrophobicContact CD1-CD2 4.24Å; F106-L110 HydrophobicContact CD1-CG 4.5Å; F106-L110 HydrophobicContact CE1-CD2 3.99Å; F106-L110 PolarHBondContact O-N 2.92Å; Y107-L110 HydrophobicContact CD2-CD1 4.47Å; Y107-L110 WeakPolarHBondContact O-CB 3.4Å; Y107-L110 PolarHBondContact O-N 3.23Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.84Å; L110-K112 PolarHBondContact O-N 2.93Å; L110-G114 VanDerWaalsContact O-CA 3.3Å; L110-G114 WeakPolarHBondContact O-CA 3.49Å; L110-G114 PolarHBondContact O-N 3.23Å; L110-Y136 HydrophobicContact CD1-CD1 3.66Å; L110-Y136 HydrophobicContact CD1-CD2 3.92Å; L110-Y136 HydrophobicContact CD1-CE1 4.01Å; L110-Y136 HydrophobicContact CD1-CE2 4.27Å; L110-Y136 HydrophobicContact CD1-CG 3.61Å; L110-Y136 HydrophobicContact CD2-CG 4.43Å
111	D	95.5	Very high	97.6	Very high	122 Å²	122	38.1 Å²	38.1	65%	0.652	19%	0.191	S	C	*	.	H	α-helix	trans	-58.4	-31	178	-73.3	-16.3	0	0	0	112
112	K	94.9	Very high	97.3	Very high	126 Å²	126	40.2 Å²	40.2	55%	0.548	20%	0.2	S	C	.	.	H	α-helix	trans	-99.8	-39.3	-175.9	-63.5	171.2	166.2	-153.3	0	113	A109 L110 E313	A109-K112 PolarHBondContact O-N 3.04Å; L110-K112 PolarHBondContact O-N 2.93Å; K112-E313 WeakPolarHBondContact CD-OE1 3.42Å; K112-E313 IonicContact NZ-OE1 3.6Å; K112-E313 PolarHBondContact NZ-OE1 3.19Å
113	Y	97.7	Very high	96.7	Very high	3 Å²	3	43 Å²	43	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-122.3	0.6	-165.4	-47.6	-43.2	0	0	0	113.6	A109 N115 L116 Y132 A312 E313 W341	A109-Y113 HydrophobicContact CB-CD2 4Å; A109-Y113 HydrophobicContact CB-CE2 4.49Å; A109-Y113 WeakPolarHBondContact O-CA 3.2Å; A109-Y113 WeakPolarHBondContact O-CB 2.94Å; A109-Y113 PolarHBondContact O-N 3.47Å; Y113-N115 PolarHBondContact O-N 3.29Å; Y113-L116 HydrophobicContact CD1-CD1 3.82Å; Y113-L116 HydrophobicContact CG-CD1 4.35Å; Y113-L116 WeakPolarHBondContact O-CB 3.42Å; Y113-L116 PolarHBondContact O-N 2.99Å; Y113-Y132 WeakPolarHBondContact O-CD2 3.27Å; Y113-A312 HydrophobicContact CD1-CB 3.81Å; Y113-A312 HydrophobicContact CE1-CB 3.69Å; Y113-E313 HydrophobicContact CE1-CG 4.03Å; Y113-E313 WeakPolarHBondContact CE1-OE2 3.09Å; Y113-E313 VanDerWaalsContact CZ-OE2 3.25Å; Y113-E313 VanDerWaalsContact OH-CD 3.22Å; Y113-E313 PolarHBondContact OH-OE1 2.95Å; Y113-E313 PolarHBondContact OH-OE2 2.94Å; Y113-W341 VanDerWaalsContact CE2-C 3.47Å
114	G	97.1	Very high	96	Very high	8 Å²	8	50.4 Å²	50.4	8%	0.082	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-37.2	-171.5	0	0	0	0	0	114.7	L110 Y132 Y133	L110-G114 VanDerWaalsContact O-CA 3.3Å; L110-G114 WeakPolarHBondContact O-CA 3.49Å; L110-G114 PolarHBondContact O-N 3.23Å; G114-Y132 PolarHBondContact O-N 2.9Å; G114-Y133 WeakPolarHBondContact O-CB 3.47Å; G114-Y133 PolarHBondContact O-N 2.92Å
115	N	97.4	Very high	95.3	Very high	162 Å²	162	53.8 Å²	53.8	87%	0.866	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.2	179.8	-66.2	-37.2	0	0	0	114.5	Y113	Y113-N115 PolarHBondContact O-N 3.29Å
116	L	98	Very high	95	Very high	57 Å²	57	61.2 Å²	61.2	30%	0.298	30%	0.295	S	S	.	.	S	Bend	trans	-75.7	152.6	178	-60.2	-177.8	0	0	0	110.8	Y113 A118 S131 Y132 A312	Y113-L116 HydrophobicContact CD1-CD1 3.82Å; Y113-L116 HydrophobicContact CG-CD1 4.35Å; Y113-L116 WeakPolarHBondContact O-CB 3.42Å; Y113-L116 PolarHBondContact O-N 2.99Å; L116-A118 PolarHBondContact O-N 3.13Å; L116-S131 CarbonylContact O-C 2.98Å; L116-S131 WeakPolarHBondContact O-CA 3.39Å; L116-S131 WeakPolarHBondContact O-CB 3.45Å; L116-Y132 HydrophobicContact CB-CD2 4.31Å; L116-Y132 PolarHBondContact O-N 3.47Å; L116-Y132 VanDerWaalsContact O-N 3.1Å; L116-A312 HydrophobicContact CD1-CB 3.6Å
117	S	97.9	Very high	94.8	Very high	18 Å²	18	64.9 Å²	64.9	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	119.2	173.9	-172.4	0	0	0	0	109.7	Q316 Q344	S117-Q316 PolarHBondContact O-NE2 3.23Å; S117-Q344 PolarHBondContact OG-NE2 2.94Å
118	A	98.6	Very high	94.7	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-54.6	175.4	0	0	0	0	0	111	L116 I130 Y132 Y135 Q344 V345	L116-A118 PolarHBondContact O-N 3.13Å; A118-I130 WeakPolarHBondContact CA-O 3.33Å; A118-I130 WeakPolarHBondContact CB-O 3.15Å; A118-I130 PolarHBondContact N-O 3Å; A118-Y132 HydrophobicContact CB-CD1 3.75Å; A118-Y132 HydrophobicContact CB-CD2 3.66Å; A118-Y132 HydrophobicContact CB-CE1 3.75Å; A118-Y132 HydrophobicContact CB-CE2 3.65Å; A118-Y132 HydrophobicContact CB-CG 3.7Å; A118-Y135 HydrophobicContact CB-CD1 4.26Å; A118-Q344 WeakPolarHBondContact O-CA 3.4Å; A118-V345 PolarHBondContact O-N 3.37Å
119	L	98.5	Very high	94.8	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.3	-170.8	-53.1	179.4	0	0	0	110.4	R129 I130 Y135 P165 F168 F169 V345 F347	L119-R129 CarbonylContact O-C 3.55Å; L119-R129 VanDerWaalsContact O-CA 3.28Å; L119-R129 WeakPolarHBondContact O-CA 3.28Å; L119-I130 HydrophobicContact CB-CB 4.26Å; L119-I130 PolarHBondContact N-O 3.44Å; L119-I130 VanDerWaalsContact N-O 3.08Å; L119-I130 PolarHBondContact O-N 3.44Å; L119-Y135 HydrophobicContact CD1-CD1 4.3Å; L119-Y135 HydrophobicContact CD1-CD2 4.21Å; L119-Y135 HydrophobicContact CD1-CE2 4.48Å; L119-Y135 HydrophobicContact CD1-CG 4.13Å; L119-Y135 HydrophobicContact CG-CD1 4.41Å; L119-P165 HydrophobicContact CD1-CB 4.11Å; L119-F168 HydrophobicContact CD1-CB 4.27Å; L119-F168 HydrophobicContact CD2-CD1 3.63Å; L119-F168 HydrophobicContact CD2-CE1 3.93Å; L119-F168 HydrophobicContact CD2-CG 4.38Å; L119-F169 HydrophobicContact CD1-CE1 3.65Å; L119-F169 HydrophobicContact CD1-CZ 4.21Å; L119-V345 CarbonylContact C-O 3.47Å; L119-V345 WeakPolarHBondContact CA-O 3.49Å; L119-V345 HydrophobicContact CD2-CB 4.1Å; L119-V345 HydrophobicContact CD2-CG2 4.5Å; L119-F347 HydrophobicContact CB-CE2 4.15Å; L119-F347 HydrophobicContact CD2-CE2 4.15Å; L119-F347 HydrophobicContact CD2-CZ 4.29Å
120	G	97.7	Very high	94.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.5	172.5	0	0	0	0	0	110.9	E128 V345 C346 F347	G120-E128 WeakPolarHBondContact CA-O 3.45Å; G120-V345 PolarHBondContact N-O 2.97Å; G120-C346 CarbonylContact O-C 3.52Å; G120-C346 VanDerWaalsContact O-CA 3.28Å; G120-C346 WeakPolarHBondContact O-CA 3.43Å; G120-F347 VanDerWaalsContact O-CD2 3.32Å; G120-F347 WeakPolarHBondContact O-CD2 3.42Å; G120-F347 PolarHBondContact O-N 2.9Å
121	F	95.3	Very high	94.8	Very high	15 Å²	15	68.5 Å²	68.5	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.4	179.5	58.8	-80.8	0	0	0	110.1	I44 R123 W127 E128 I130 P165 F347	I44-F121 HydrophobicContact CD1-CE1 3.96Å; I44-F121 HydrophobicContact CD1-CE2 4.31Å; I44-F121 HydrophobicContact CD1-CZ 3.33Å; F121-R123 HydrophobicContact CD2-CG 4.1Å; F121-R123 HydrophobicContact CE2-CG 3.86Å; F121-W127 WeakPolarHBondContact O-CA 3.32Å; F121-E128 HydrophobicContact CD2-CB 4.4Å; F121-E128 HydrophobicContact CE1-CB 3.99Å; F121-E128 HydrophobicContact CE2-CB 3.67Å; F121-E128 HydrophobicContact CE2-CG 4.43Å; F121-E128 HydrophobicContact CZ-CB 3.4Å; F121-E128 HydrophobicContact CZ-CG 4.41Å; F121-E128 PolarHBondContact N-O 3.42Å; F121-E128 VanDerWaalsContact N-O 3.13Å; F121-E128 PolarHBondContact O-N 3.44Å; F121-I130 HydrophobicContact CE1-CD1 3.66Å; F121-I130 HydrophobicContact CE1-CG1 3.89Å; F121-I130 HydrophobicContact CZ-CD1 4.34Å; F121-P165 HydrophobicContact CB-CG 3.94Å; F121-P165 HydrophobicContact CD1-CG 3.42Å; F121-P165 VanDerWaalsContact CD1-CG 3.42Å; F121-P165 HydrophobicContact CD2-CG 4.45Å; F121-P165 HydrophobicContact CE1-CG 4.12Å; F121-P165 HydrophobicContact CG-CG 3.65Å; F121-F347 HydrophobicContact CB-CD2 4.12Å
122	K	92.3	Very high	95	Very high	51 Å²	51	62.9 Å²	62.9	22%	0.222	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.6	178.6	-73.7	-177.2	175.7	-177.7	0	111.8	K126 W127 E363	K122-K126 CarbonylContact C-O 3.59Å; K122-K126 WeakPolarHBondContact CA-O 3.45Å; K122-W127 HydrophobicContact CD-CZ2 4.29Å; K122-W127 HydrophobicContact CG-CD2 3.92Å; K122-W127 HydrophobicContact CG-CE3 4.26Å; K122-W127 HydrophobicContact CG-CG 4.36Å; K122-W127 HydrophobicContact CG-CH2 4.35Å; K122-W127 HydrophobicContact CG-CZ2 4.02Å; K122-W127 HydrophobicContact CG-CZ3 4.46Å; K122-E363 WeakPolarHBondContact CE-OE2 3.49Å; K122-E363 IonicContact NZ-OE1 3.14Å; K122-E363 PolarHBondContact NZ-OE1 3.02Å; K122-E363 IonicContact NZ-OE2 2.75Å; K122-E363 PolarHBondContact NZ-OE2 3.32Å
123	R	85.9	Confident	95.1	Very high	59 Å²	59	59.6 Å²	59.6	22%	0.223	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.9	161.8	-76.2	-178.9	178.7	169.4	-11.1	108.9	S41 F121 D125 K126 E128	S41-R123 PolarHBondContact O-NH2 2.72Å; S41-R123 VanDerWaalsContact O-NH2 3.17Å; F121-R123 HydrophobicContact CD2-CG 4.1Å; F121-R123 HydrophobicContact CE2-CG 3.86Å; R123-D125 VanDerWaalsContact C-N 3.27Å; R123-D125 PolarHBondContact O-N 3.2Å; R123-K126 PolarHBondContact N-O 3.22Å; R123-K126 PolarHBondContact O-N 2.61Å; R123-E128 WeakPolarHBondContact CD-OE1 3.04Å; R123-E128 IonicContact CZ-OE2 2.72Å; R123-E128 IonicContact NE-OE2 2.77Å; R123-E128 IonicContact NH1-OE2 2.66Å; R123-E128 PolarHBondContact NH1-OE2 2.78Å; R123-E128 VanDerWaalsContact NH1-OE2 3.08Å
124	K	84.4	Confident	95.2	Very high	180 Å²	180	61.5 Å²	61.5	78%	0.783	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	49.1	-179	-57.4	179.9	-179.7	178.3	0	112.2	K126	K124-K126 PolarHBondContact O-N 2.65Å; K124-K126 VanDerWaalsContact O-N 3.14Å
125	D	84.3	Confident	95.3	Very high	149 Å²	149	61.2 Å²	61.2	80%	0.797	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	14.7	-177.2	-59.6	-44.1	0	0	0	116.6	R123	R123-D125 VanDerWaalsContact C-N 3.27Å; R123-D125 PolarHBondContact O-N 3.2Å
126	K	91.9	Very high	95.3	Very high	158 Å²	158	54.1 Å²	54.1	69%	0.687	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113	135.3	174.2	-66.6	-177.2	-179.7	178.8	0	110.9	K122 R123 K124 E128	K122-K126 CarbonylContact C-O 3.59Å; K122-K126 WeakPolarHBondContact CA-O 3.45Å; R123-K126 PolarHBondContact N-O 3.22Å; R123-K126 PolarHBondContact O-N 2.61Å; K124-K126 PolarHBondContact O-N 2.65Å; K124-K126 VanDerWaalsContact O-N 3.14Å; K126-E128 PolarHBondContact O-N 3.05Å
127	W	94.5	Very high	95.3	Very high	77 Å²	77	52.6 Å²	52.6	29%	0.292	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.8	172.9	-75.6	96.1	0	0	0	110.4	F121 K122 C346 T360 E363 V364	F121-W127 WeakPolarHBondContact O-CA 3.32Å; K122-W127 HydrophobicContact CD-CZ2 4.29Å; K122-W127 HydrophobicContact CG-CD2 3.92Å; K122-W127 HydrophobicContact CG-CE3 4.26Å; K122-W127 HydrophobicContact CG-CG 4.36Å; K122-W127 HydrophobicContact CG-CH2 4.35Å; K122-W127 HydrophobicContact CG-CZ2 4.02Å; K122-W127 HydrophobicContact CG-CZ3 4.46Å; W127-C346 HydrophobicContact CH2-CB 3.97Å; W127-C346 HydrophobicContact CZ3-CB 3.85Å; W127-T360 HydrophobicContact CH2-CG2 4.18Å; W127-T360 HydrophobicContact CZ2-CG2 4.31Å; W127-E363 PolarHBondContact NE1-OE2 3.38Å; W127-V364 HydrophobicContact CH2-CG2 3.53Å; W127-V364 HydrophobicContact CZ2-CG2 3.5Å; W127-V364 HydrophobicContact CZ3-CG2 4.37Å
128	E	96.1	Very high	95.4	Very high	67 Å²	67	52 Å²	52	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	157.9	166.4	-74.5	179.6	-149.5	0	0	109.7	G120 F121 R123 K126	G120-E128 WeakPolarHBondContact CA-O 3.45Å; F121-E128 HydrophobicContact CD2-CB 4.4Å; F121-E128 HydrophobicContact CE1-CB 3.99Å; F121-E128 HydrophobicContact CE2-CB 3.67Å; F121-E128 HydrophobicContact CE2-CG 4.43Å; F121-E128 HydrophobicContact CZ-CB 3.4Å; F121-E128 HydrophobicContact CZ-CG 4.41Å; F121-E128 PolarHBondContact N-O 3.42Å; F121-E128 VanDerWaalsContact N-O 3.13Å; F121-E128 PolarHBondContact O-N 3.44Å; R123-E128 WeakPolarHBondContact CD-OE1 3.04Å; R123-E128 IonicContact CZ-OE2 2.72Å; R123-E128 IonicContact NE-OE2 2.77Å; R123-E128 IonicContact NH1-OE2 2.66Å; R123-E128 PolarHBondContact NH1-OE2 2.78Å; R123-E128 VanDerWaalsContact NH1-OE2 3.08Å; K126-E128 PolarHBondContact O-N 3.05Å
129	R	96.8	Very high	95.4	Very high	159 Å²	159	52 Å²	52	60%	0.6	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.7	-176.8	-64.8	-178.1	-175.2	-164.7	-1	110.8	L119	L119-R129 CarbonylContact O-C 3.55Å; L119-R129 VanDerWaalsContact O-CA 3.28Å; L119-R129 WeakPolarHBondContact O-CA 3.28Å
130	I	98.2	Very high	95.4	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.6	175.3	-66.8	170.2	0	0	0	107.6	I44 A118 L119 F121 Q134 P165 F169	I44-I130 HydrophobicContact CD1-CD1 3.69Å; I44-I130 HydrophobicContact CD1-CG1 3.87Å; I44-I130 HydrophobicContact CG1-CD1 4.36Å; A118-I130 WeakPolarHBondContact CA-O 3.33Å; A118-I130 WeakPolarHBondContact CB-O 3.15Å; A118-I130 PolarHBondContact N-O 3Å; L119-I130 HydrophobicContact CB-CB 4.26Å; L119-I130 PolarHBondContact N-O 3.44Å; L119-I130 VanDerWaalsContact N-O 3.08Å; L119-I130 PolarHBondContact O-N 3.44Å; F121-I130 HydrophobicContact CE1-CD1 3.66Å; F121-I130 HydrophobicContact CE1-CG1 3.89Å; F121-I130 HydrophobicContact CZ-CD1 4.34Å; I130-Q134 HydrophobicContact CG2-CB 3.65Å; I130-P165 HydrophobicContact CD1-CB 4.44Å; I130-F169 HydrophobicContact CD1-CE1 4.34Å; I130-F169 HydrophobicContact CD1-CZ 3.6Å
131	S	98.6	Very high	95.4	Very high	22 Å²	22	54.3 Å²	54.3	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	163.7	174.9	72.8	0	0	0	0	112	L116 Y133 Q134 Y135	L116-S131 CarbonylContact O-C 2.98Å; L116-S131 WeakPolarHBondContact O-CA 3.39Å; L116-S131 WeakPolarHBondContact O-CB 3.45Å; S131-Y133 PolarHBondContact O-N 3.21Å; S131-Q134 PolarHBondContact O-N 3.34Å; S131-Q134 WeakPolarHBondContact OG-CG 3.42Å; S131-Q134 PolarHBondContact OG-N 2.95Å; S131-Y135 WeakPolarHBondContact O-CB 3.31Å; S131-Y135 PolarHBondContact O-N 3.36Å
132	Y	98.5	Very high	95.6	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-37.1	174.1	-82.8	-79.1	0	0	0	113	F106 Y113 G114 L116 A118 Y135 Y136 G338 G342 A343	F106-Y132 AromaticContact CE1-CD1 3.88Å; F106-Y132 HydrophobicContact CE1-CD1 3.88Å; F106-Y132 HydrophobicContact CZ-CD1 4.44Å; Y113-Y132 WeakPolarHBondContact O-CD2 3.27Å; G114-Y132 PolarHBondContact O-N 2.9Å; L116-Y132 HydrophobicContact CB-CD2 4.31Å; L116-Y132 PolarHBondContact O-N 3.47Å; L116-Y132 VanDerWaalsContact O-N 3.1Å; A118-Y132 HydrophobicContact CB-CD1 3.75Å; A118-Y132 HydrophobicContact CB-CD2 3.66Å; A118-Y132 HydrophobicContact CB-CE1 3.75Å; A118-Y132 HydrophobicContact CB-CE2 3.65Å; A118-Y132 HydrophobicContact CB-CG 3.7Å; Y132-Y135 PolarHBondContact O-N 3.3Å; Y132-Y136 WeakPolarHBondContact O-CB 3.3Å; Y132-Y136 PolarHBondContact O-N 3.41Å; Y132-G338 VanDerWaalsContact OH-C 3.32Å; Y132-G338 PolarHBondContact OH-O 3.43Å; Y132-G342 VanDerWaalsContact OH-CA 3.23Å; Y132-G342 WeakPolarHBondContact OH-CA 3.03Å; Y132-A343 PolarHBondContact OH-N 3.44Å; Y132-A343 PolarHBondContact OH-O 2.83Å
133	Y	98.4	Very high	95.9	Very high	58 Å²	58	51.1 Å²	51.1	23%	0.227	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-47.8	175.6	-173.3	-101.4	0	0	0	111.7	E52 P54 G114 S131 Y135 Y136 L137	E52-Y133 PolarHBondContact O-OH 2.91Å; P54-Y133 VanDerWaalsContact CA-OH 3.31Å; P54-Y133 WeakPolarHBondContact CA-OH 3.36Å; P54-Y133 HydrophobicContact CB-CE2 3.93Å; P54-Y133 VanDerWaalsContact CB-OH 3.3Å; P54-Y133 WeakPolarHBondContact CB-OH 3.29Å; G114-Y133 WeakPolarHBondContact O-CB 3.47Å; G114-Y133 PolarHBondContact O-N 2.92Å; S131-Y133 PolarHBondContact O-N 3.21Å; Y133-Y135 PolarHBondContact O-N 2.81Å; Y133-Y136 PolarHBondContact O-N 2.88Å; Y133-L137 HydrophobicContact CD1-CD1 3.86Å; Y133-L137 HydrophobicContact CD1-CG 4.44Å; Y133-L137 HydrophobicContact CE1-CD1 3.34Å; Y133-L137 HydrophobicContact CE1-CG 4.14Å; Y133-L137 WeakPolarHBondContact O-CG 3.48Å; Y133-L137 PolarHBondContact O-N 3Å
134	Q	98.6	Very high	96.5	Very high	42 Å²	42	49 Å²	49	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-42.8	176.6	-70.4	172	-38.4	0	0	111.5	L49 I130 S131 Y136 L137 I138	L49-Q134 HydrophobicContact CD1-CG 4.45Å; I130-Q134 HydrophobicContact CG2-CB 3.65Å; S131-Q134 PolarHBondContact O-N 3.34Å; S131-Q134 WeakPolarHBondContact OG-CG 3.42Å; S131-Q134 PolarHBondContact OG-N 2.95Å; Q134-Y136 PolarHBondContact O-N 3.4Å; Q134-L137 PolarHBondContact O-N 3.09Å; Q134-I138 WeakPolarHBondContact O-CB 3.46Å; Q134-I138 WeakPolarHBondContact O-CD1 3.49Å; Q134-I138 WeakPolarHBondContact O-CG1 3.41Å; Q134-I138 PolarHBondContact O-N 3.17Å
135	Y	98.6	Very high	97.2	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-58.3	-48.6	176.5	177.8	-160.2	0	0	0	111	F106 A118 L119 S131 Y132 Y133 L137 I138 A139 F168 F169 V172 I339	F106-Y135 HydrophobicContact CE1-CD1 4.39Å; F106-Y135 AromaticContact CE2-CD1 3.93Å; F106-Y135 HydrophobicContact CE2-CD1 3.93Å; F106-Y135 HydrophobicContact CE2-CD2 4.44Å; F106-Y135 AromaticContact CE2-CE1 3.83Å; F106-Y135 HydrophobicContact CE2-CE1 3.83Å; F106-Y135 HydrophobicContact CE2-CE2 4.34Å; F106-Y135 HydrophobicContact CE2-CG 4.24Å; F106-Y135 AromaticContact CZ-CD1 3.4Å; F106-Y135 HydrophobicContact CZ-CD1 3.4Å; F106-Y135 HydrophobicContact CZ-CD2 4.33Å; F106-Y135 AromaticContact CZ-CE1 3.76Å; F106-Y135 HydrophobicContact CZ-CE1 3.76Å; F106-Y135 AromaticContact CZ-CG 3.72Å; F106-Y135 HydrophobicContact CZ-CG 3.72Å; A118-Y135 HydrophobicContact CB-CD1 4.26Å; L119-Y135 HydrophobicContact CD1-CD1 4.3Å; L119-Y135 HydrophobicContact CD1-CD2 4.21Å; L119-Y135 HydrophobicContact CD1-CE2 4.48Å; L119-Y135 HydrophobicContact CD1-CG 4.13Å; L119-Y135 HydrophobicContact CG-CD1 4.41Å; S131-Y135 WeakPolarHBondContact O-CB 3.31Å; S131-Y135 PolarHBondContact O-N 3.36Å; Y132-Y135 PolarHBondContact O-N 3.3Å; Y133-Y135 PolarHBondContact O-N 2.81Å; Y135-L137 PolarHBondContact O-N 3.41Å; Y135-I138 PolarHBondContact O-N 2.92Å; Y135-A139 HydrophobicContact CE2-CB 4.45Å; Y135-A139 WeakPolarHBondContact O-CB 3.38Å; Y135-A139 PolarHBondContact O-N 3.37Å; Y135-F168 HydrophobicContact CE1-CD1 4.37Å; Y135-F168 HydrophobicContact CE2-CB 4.12Å; Y135-F168 WeakPolarHBondContact OH-CB 3.33Å; Y135-F168 PolarHBondContact OH-O 2.99Å; Y135-F169 AromaticContact CD2-CD1 3.47Å; Y135-F169 HydrophobicContact CD2-CD1 3.47Å; Y135-F169 VanDerWaalsContact CD2-CD1 3.47Å; Y135-F169 AromaticContact CD2-CE1 3.61Å; Y135-F169 HydrophobicContact CD2-CE1 3.61Å; Y135-F169 AromaticContact CE2-CD1 3.62Å; Y135-F169 HydrophobicContact CE2-CD1 3.62Å; Y135-F169 HydrophobicContact CE2-CE1 4.12Å; Y135-F169 HydrophobicContact CG-CE1 4.44Å; Y135-V172 HydrophobicContact CE2-CB 4.47Å; Y135-V172 HydrophobicContact CE2-CG2 4.22Å; Y135-V172 WeakPolarHBondContact OH-CG2 3.45Å; Y135-I339 HydrophobicContact CE1-CD1 4.08Å; Y135-I339 HydrophobicContact CE1-CG1 4.04Å
136	Y	98.6	Very high	97.8	Very high	13 Å²	13	33.3 Å²	33.3	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-46	177.8	177.1	-99.5	0	0	0	112.6	H103 F106 L110 Y132 Y133 Q134 A139 R140 F176	H103-Y136 AromaticContact NE2-CE2 3.86Å; H103-Y136 AromaticContact NE2-CZ 3.85Å; H103-Y136 PolarHBondContact NE2-OH 3.45Å; F106-Y136 HydrophobicContact CD1-CD2 4.26Å; F106-Y136 HydrophobicContact CD2-CD2 4.3Å; F106-Y136 HydrophobicContact CE1-CD2 4.45Å; F106-Y136 HydrophobicContact CG-CD2 4.15Å; L110-Y136 HydrophobicContact CD1-CD1 3.66Å; L110-Y136 HydrophobicContact CD1-CD2 3.92Å; L110-Y136 HydrophobicContact CD1-CE1 4.01Å; L110-Y136 HydrophobicContact CD1-CE2 4.27Å; L110-Y136 HydrophobicContact CD1-CG 3.61Å; L110-Y136 HydrophobicContact CD2-CG 4.43Å; Y132-Y136 WeakPolarHBondContact O-CB 3.3Å; Y132-Y136 PolarHBondContact O-N 3.41Å; Y133-Y136 PolarHBondContact O-N 2.88Å; Q134-Y136 PolarHBondContact O-N 3.4Å; Y136-A139 PolarHBondContact O-N 3.39Å; Y136-R140 VanDerWaalsContact CE1-CD 3.42Å; Y136-R140 HydrophobicContact CE1-CG 4.19Å; Y136-R140 WeakPolarHBondContact O-CG 3.27Å; Y136-R140 PolarHBondContact O-N 2.82Å; Y136-F176 AromaticContact CD2-CE2 3.79Å; Y136-F176 HydrophobicContact CD2-CE2 3.79Å; Y136-F176 AromaticContact CD2-CZ 3.9Å; Y136-F176 HydrophobicContact CD2-CZ 3.9Å; Y136-F176 AromaticContact CE2-CE2 3.64Å; Y136-F176 HydrophobicContact CE2-CE2 3.64Å; Y136-F176 AromaticContact CE2-CZ 3.76Å; Y136-F176 HydrophobicContact CE2-CZ 3.76Å
137	L	98.3	Very high	98.2	Very high	25 Å²	25	27.5 Å²	27.5	13%	0.131	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-42.7	177.8	-69.7	-178.4	0	0	0	112.5	Y133 Q134 Y135 R140 K141	Y133-L137 HydrophobicContact CD1-CD1 3.86Å; Y133-L137 HydrophobicContact CD1-CG 4.44Å; Y133-L137 HydrophobicContact CE1-CD1 3.34Å; Y133-L137 HydrophobicContact CE1-CG 4.14Å; Y133-L137 WeakPolarHBondContact O-CG 3.48Å; Y133-L137 PolarHBondContact O-N 3Å; Q134-L137 PolarHBondContact O-N 3.09Å; Y135-L137 PolarHBondContact O-N 3.41Å; L137-R140 PolarHBondContact O-N 2.57Å; L137-K141 WeakPolarHBondContact O-CG 3.47Å; L137-K141 PolarHBondContact O-N 2.95Å
138	I	98.3	Very high	98.4	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-43.9	176.4	-65.7	163.8	0	0	0	110	L49 Q134 Y135 R140 K141 V142 F169 I250	L49-I138 HydrophobicContact CD1-CD1 4.32Å; L49-I138 HydrophobicContact CD2-CG1 4.48Å; Q134-I138 WeakPolarHBondContact O-CB 3.46Å; Q134-I138 WeakPolarHBondContact O-CD1 3.49Å; Q134-I138 WeakPolarHBondContact O-CG1 3.41Å; Q134-I138 PolarHBondContact O-N 3.17Å; Y135-I138 PolarHBondContact O-N 2.92Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 PolarHBondContact O-N 3.01Å; I138-K141 PolarHBondContact O-N 3.11Å; I138-K141 VanDerWaalsContact O-N 3.15Å; I138-V142 HydrophobicContact CG2-CG2 4.32Å; I138-V142 WeakPolarHBondContact O-CG2 3.43Å; I138-V142 PolarHBondContact O-N 2.82Å; I138-F169 HydrophobicContact CB-CD1 4.3Å; I138-F169 HydrophobicContact CB-CE1 4.44Å; I138-F169 HydrophobicContact CB-CG 4.48Å; I138-F169 HydrophobicContact CD1-CE1 4.34Å; I138-F169 HydrophobicContact CD1-CE2 4.48Å; I138-F169 HydrophobicContact CD1-CZ 4.09Å; I138-F169 HydrophobicContact CG2-CB 4.04Å; I138-F169 HydrophobicContact CG2-CD1 3.8Å; I138-F169 HydrophobicContact CG2-CD2 3.53Å; I138-F169 HydrophobicContact CG2-CE1 4.15Å; I138-F169 HydrophobicContact CG2-CE2 3.91Å; I138-F169 HydrophobicContact CG2-CG 3.51Å; I138-F169 HydrophobicContact CG2-CZ 4.21Å; I138-I250 HydrophobicContact CG2-CD1 4.35Å
139	A	98.5	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-38.5	177.6	0	0	0	0	0	112.4	Y135 Y136 V142 A143 V172 G173 F176	Y135-A139 HydrophobicContact CE2-CB 4.45Å; Y135-A139 WeakPolarHBondContact O-CB 3.38Å; Y135-A139 PolarHBondContact O-N 3.37Å; Y136-A139 PolarHBondContact O-N 3.39Å; A139-V142 PolarHBondContact O-N 2.88Å; A139-A143 WeakPolarHBondContact O-CB 3.19Å; A139-A143 PolarHBondContact O-N 3.1Å; A139-V172 HydrophobicContact CB-CB 3.86Å; A139-V172 HydrophobicContact CB-CG1 3.57Å; A139-G173 VanDerWaalsContact O-CA 3.28Å; A139-G173 WeakPolarHBondContact O-CA 3.5Å; A139-F176 HydrophobicContact CB-CD2 4.47Å; A139-F176 HydrophobicContact CB-CE2 4.25Å
140	R	98.5	Very high	98.5	Very high	17 Å²	17	19.4 Å²	19.4	6%	0.064	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-47	171.2	-72.7	-176.6	67.1	89.5	-6.3	111.9	Y136 L137 I138 V142 A143 K144 F176 E258 L261 D262	Y136-R140 VanDerWaalsContact CE1-CD 3.42Å; Y136-R140 HydrophobicContact CE1-CG 4.19Å; Y136-R140 WeakPolarHBondContact O-CG 3.27Å; Y136-R140 PolarHBondContact O-N 2.82Å; L137-R140 PolarHBondContact O-N 2.57Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 PolarHBondContact O-N 3.01Å; R140-V142 VanDerWaalsContact C-N 3.31Å; R140-V142 PolarHBondContact O-N 2.77Å; R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 3.45Å; R140-A143 VanDerWaalsContact O-N 3.15Å; R140-K144 WeakPolarHBondContact O-CG 3.47Å; R140-K144 PolarHBondContact O-N 3.13Å; R140-F176 HydrophobicContact CG-CD2 4.05Å; R140-F176 HydrophobicContact CG-CE2 4.16Å; R140-E258 IonicContact CZ-OE2 3.79Å; R140-E258 VanDerWaalsContact CZ-OE2 3.29Å; R140-E258 IonicContact NE-OE2 2.91Å; R140-E258 PolarHBondContact NE-OE2 3.08Å; R140-E258 IonicContact NH2-OE2 3.64Å; R140-E258 PolarHBondContact NH2-OE2 2.93Å; R140-L261 HydrophobicContact CB-CD2 4.04Å; R140-L261 HydrophobicContact CG-CD2 4.16Å; R140-D262 IonicContact CZ-OD1 2.86Å; R140-D262 VanDerWaalsContact CZ-OD1 3.25Å; R140-D262 IonicContact NH1-OD1 3.94Å; R140-D262 PolarHBondContact NH1-OD1 3.36Å; R140-D262 IonicContact NH2-OD1 2.63Å; R140-D262 PolarHBondContact NH2-OD1 2.94Å; R140-D262 IonicContact NH2-OD2 2.78Å; R140-D262 PolarHBondContact NH2-OD2 3.27Å
141	K	98.6	Very high	98.6	Very high	34 Å²	34	19.9 Å²	19.9	15%	0.148	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-42.6	177.5	-70.6	173.4	-178.2	178.9	0	111.8	E52 L137 I138 K144 G145 I250	E52-K141 VanDerWaalsContact CD-NZ 3.25Å; E52-K141 IonicContact OE1-NZ 3.64Å; E52-K141 PolarHBondContact OE1-NZ 2.67Å; E52-K141 IonicContact OE2-NZ 3.31Å; E52-K141 PolarHBondContact OE2-NZ 2.85Å; L137-K141 WeakPolarHBondContact O-CG 3.47Å; L137-K141 PolarHBondContact O-N 2.95Å; I138-K141 PolarHBondContact O-N 3.11Å; I138-K141 VanDerWaalsContact O-N 3.15Å; K141-K144 PolarHBondContact O-N 3.31Å; K141-G145 PolarHBondContact O-N 2.8Å; K141-I250 HydrophobicContact CB-CG1 4.37Å; K141-I250 HydrophobicContact CB-CG2 4.11Å; K141-I250 HydrophobicContact CD-CG2 4.23Å
142	V	98.7	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-42.5	174.2	168.3	0	0	0	0	111.7	I138 A139 R140 K144 G145 F146 F169 M246 L249 I250	I138-V142 HydrophobicContact CG2-CG2 4.32Å; I138-V142 WeakPolarHBondContact O-CG2 3.43Å; I138-V142 PolarHBondContact O-N 2.82Å; A139-V142 PolarHBondContact O-N 2.88Å; R140-V142 VanDerWaalsContact C-N 3.31Å; R140-V142 PolarHBondContact O-N 2.77Å; V142-K144 VanDerWaalsContact C-N 3.34Å; V142-K144 PolarHBondContact O-N 3.1Å; V142-G145 PolarHBondContact O-N 2.93Å; V142-G145 VanDerWaalsContact O-N 3.16Å; V142-F146 HydrophobicContact CG1-CD2 3.93Å; V142-F146 HydrophobicContact CG1-CE1 4.44Å; V142-F146 HydrophobicContact CG1-CE2 3.33Å; V142-F146 HydrophobicContact CG1-CZ 3.62Å; V142-F146 WeakPolarHBondContact O-CD2 3.29Å; V142-F146 PolarHBondContact O-N 3.29Å; V142-F169 HydrophobicContact CG2-CB 4.05Å; V142-M246 HydrophobicContact CG2-SD 3.92Å; V142-L249 HydrophobicContact CG1-CD2 4.03Å; V142-L249 HydrophobicContact CG2-CD2 4.48Å; V142-I250 HydrophobicContact CG2-CD1 4.17Å; V142-I250 HydrophobicContact CG2-CG1 3.88Å
143	A	98.8	Very high	98.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.5	-48.6	175.2	0	0	0	0	0	111.6	A139 R140 G145 F146 L147 G173 F176 A177 L261	A139-A143 WeakPolarHBondContact O-CB 3.19Å; A139-A143 PolarHBondContact O-N 3.1Å; R140-A143 WeakPolarHBondContact O-CB 3.49Å; R140-A143 PolarHBondContact O-N 3.45Å; R140-A143 VanDerWaalsContact O-N 3.15Å; A143-G145 VanDerWaalsContact C-N 3.34Å; A143-G145 PolarHBondContact O-N 2.99Å; A143-F146 PolarHBondContact O-N 3.47Å; A143-L147 WeakPolarHBondContact O-CG 3.5Å; A143-L147 PolarHBondContact O-N 3.42Å; A143-G173 WeakPolarHBondContact CA-O 3.34Å; A143-G173 WeakPolarHBondContact CB-O 3.42Å; A143-F176 HydrophobicContact CB-CB 3.8Å; A143-A177 HydrophobicContact CB-CB 4.09Å; A143-L261 HydrophobicContact CB-CD1 3.78Å; A143-L261 HydrophobicContact CB-CD2 4.05Å
144	K	98.8	Very high	98.2	Very high	14 Å²	14	25.5 Å²	25.5	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-40.7	175.6	-66.3	-163.4	-42.7	168.5	0	112.5	R140 K141 V142 F146 L147 K148 G253 V256 E258 L261	R140-K144 WeakPolarHBondContact O-CG 3.47Å; R140-K144 PolarHBondContact O-N 3.13Å; K141-K144 PolarHBondContact O-N 3.31Å; V142-K144 VanDerWaalsContact C-N 3.34Å; V142-K144 PolarHBondContact O-N 3.1Å; K144-F146 VanDerWaalsContact C-N 3.33Å; K144-F146 PolarHBondContact O-N 2.93Å; K144-L147 PolarHBondContact O-N 2.95Å; K144-K148 PolarHBondContact O-N 3.35Å; K144-G253 WeakPolarHBondContact CB-O 3.45Å; K144-G253 WeakPolarHBondContact CE-O 3.27Å; K144-G253 PolarHBondContact NZ-O 2.77Å; K144-V256 HydrophobicContact CB-CB 4.03Å; K144-V256 HydrophobicContact CB-CG1 4.41Å; K144-V256 HydrophobicContact CD-CB 4.3Å; K144-V256 HydrophobicContact CD-CG1 4.45Å; K144-V256 WeakPolarHBondContact CD-O 3.42Å; K144-V256 HydrophobicContact CG-CB 4.34Å; K144-V256 HydrophobicContact CG-CG1 4.34Å; K144-V256 PolarHBondContact NZ-O 3.37Å; K144-E258 WeakPolarHBondContact CD-OE1 3.1Å; K144-E258 WeakPolarHBondContact CE-OE1 3.48Å; K144-E258 IonicContact NZ-OE1 2.63Å; K144-E258 PolarHBondContact NZ-OE1 3.31Å; K144-L261 HydrophobicContact CG-CB 4.16Å; K144-L261 HydrophobicContact CG-CD2 3.9Å
145	G	98.7	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-45.7	172.7	0	0	0	0	0	111.9	K141 V142 A143 L147 K148 L149 L249	K141-G145 PolarHBondContact O-N 2.8Å; V142-G145 PolarHBondContact O-N 2.93Å; V142-G145 VanDerWaalsContact O-N 3.16Å; A143-G145 VanDerWaalsContact C-N 3.34Å; A143-G145 PolarHBondContact O-N 2.99Å; G145-L147 PolarHBondContact O-N 3.41Å; G145-K148 WeakPolarHBondContact O-CB 3.22Å; G145-K148 PolarHBondContact O-N 2.92Å; G145-L149 WeakPolarHBondContact O-CG 3.42Å; G145-L149 PolarHBondContact O-N 2.81Å; G145-L249 WeakPolarHBondContact CA-O 3.32Å
146	F	98.8	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-40.4	176.4	-66.2	-37.8	0	0	0	112.9	V142 A143 K144 K148 L149 G150 L151 V157 T174 V204 V206 V230 L249	V142-F146 HydrophobicContact CG1-CD2 3.93Å; V142-F146 HydrophobicContact CG1-CE1 4.44Å; V142-F146 HydrophobicContact CG1-CE2 3.33Å; V142-F146 HydrophobicContact CG1-CZ 3.62Å; V142-F146 WeakPolarHBondContact O-CD2 3.29Å; V142-F146 PolarHBondContact O-N 3.29Å; A143-F146 PolarHBondContact O-N 3.47Å; K144-F146 VanDerWaalsContact C-N 3.33Å; K144-F146 PolarHBondContact O-N 2.93Å; F146-K148 VanDerWaalsContact C-N 3.29Å; F146-K148 PolarHBondContact O-N 3.17Å; F146-L149 CarbonylContact O-C 3.55Å; F146-L149 PolarHBondContact O-N 2.82Å; F146-G150 PolarHBondContact O-N 2.86Å; F146-G150 VanDerWaalsContact O-N 3.13Å; F146-L151 HydrophobicContact CB-CB 3.98Å; F146-L151 HydrophobicContact CB-CD2 3.75Å; F146-L151 HydrophobicContact CG-CD2 4.42Å; F146-L151 VanDerWaalsContact O-CB 3.28Å; F146-L151 WeakPolarHBondContact O-CB 3.35Å; F146-L151 PolarHBondContact O-N 2.82Å; F146-V157 HydrophobicContact CD1-CG2 4.4Å; F146-V157 HydrophobicContact CD2-CG2 4.12Å; F146-V157 HydrophobicContact CE1-CG1 4.11Å; F146-V157 HydrophobicContact CE2-CG1 4.24Å; F146-V157 HydrophobicContact CE2-CG2 4.27Å; F146-V157 HydrophobicContact CG-CG2 4.2Å; F146-V157 HydrophobicContact CZ-CG1 3.86Å; F146-T174 WeakPolarHBondContact CE2-OG1 3.47Å; F146-V204 HydrophobicContact CD1-CB 4.39Å; F146-V204 HydrophobicContact CD1-CG1 4.08Å; F146-V204 HydrophobicContact CD1-CG2 4.31Å; F146-V204 HydrophobicContact CE1-CG1 3.97Å; F146-V206 HydrophobicContact CE1-CG2 4.02Å; F146-V206 HydrophobicContact CZ-CG2 3.95Å; F146-V230 HydrophobicContact CE1-CG2 4.48Å; F146-L249 HydrophobicContact CD1-CD1 3.96Å; F146-L249 HydrophobicContact CD1-CD2 4Å; F146-L249 HydrophobicContact CE1-CD1 4.26Å; F146-L249 HydrophobicContact CE1-CD2 3.55Å; F146-L249 HydrophobicContact CZ-CD2 4.03Å
147	L	98.7	Very high	98.2	Very high	35 Å²	35	23.6 Å²	23.6	18%	0.183	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-42.6	173	-66.2	174.5	0	0	0	111.2	A143 K144 G145 L149 G150 A177 V256 L261 I264	A143-L147 WeakPolarHBondContact O-CG 3.5Å; A143-L147 PolarHBondContact O-N 3.42Å; K144-L147 PolarHBondContact O-N 2.95Å; G145-L147 PolarHBondContact O-N 3.41Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 2.7Å; L147-G150 WeakPolarHBondContact O-CA 3.41Å; L147-G150 PolarHBondContact O-N 3.07Å; L147-A177 HydrophobicContact CD2-CB 3.96Å; L147-A177 HydrophobicContact CG-CB 4Å; L147-V256 HydrophobicContact CD1-CG1 4.35Å; L147-L261 HydrophobicContact CD1-CD1 4.08Å; L147-I264 HydrophobicContact CD1-CD1 3.61Å; L147-I264 HydrophobicContact CD2-CD1 3.56Å; L147-I264 HydrophobicContact CG-CD1 4.24Å
148	K	98.5	Very high	98.2	Very high	92 Å²	92	22.4 Å²	22.4	40%	0.4	11%	0.109	S	C	.	.	H	α-helix	trans	-63.3	-38.5	176.6	-176.2	58	173.3	-168.5	0	112.7	K144 G145 F146 G150 L252 E255 V256	K144-K148 PolarHBondContact O-N 3.35Å; G145-K148 WeakPolarHBondContact O-CB 3.22Å; G145-K148 PolarHBondContact O-N 2.92Å; F146-K148 VanDerWaalsContact C-N 3.29Å; F146-K148 PolarHBondContact O-N 3.17Å; K148-G150 PolarHBondContact O-N 3.08Å; K148-L252 HydrophobicContact CG-CB 4.12Å; K148-E255 WeakPolarHBondContact CE-OE2 3.36Å; K148-E255 IonicContact NZ-OE2 3.72Å; K148-E255 PolarHBondContact NZ-OE2 3.13Å; K148-V256 HydrophobicContact CB-CG2 3.92Å
149	L	98.4	Very high	98.2	Very high	18 Å²	18	22.1 Å²	22.1	9%	0.094	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-1.3	173.4	-64.7	-174.6	0	0	0	113.4	G145 F146 L147 V204 A228 V230 Y244 L249 L252	G145-L149 WeakPolarHBondContact O-CG 3.42Å; G145-L149 PolarHBondContact O-N 2.81Å; F146-L149 CarbonylContact O-C 3.55Å; F146-L149 PolarHBondContact O-N 2.82Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 2.7Å; L149-V204 HydrophobicContact CB-CG2 4.14Å; L149-A228 HydrophobicContact CB-CB 4.24Å; L149-A228 HydrophobicContact CD1-CB 3.8Å; L149-A228 HydrophobicContact CD2-CB 4.22Å; L149-A228 HydrophobicContact CG-CB 4.32Å; L149-V230 HydrophobicContact CD1-CG2 3.83Å; L149-Y244 HydrophobicContact CD1-CD2 4.12Å; L149-Y244 HydrophobicContact CD1-CE2 4.49Å; L149-Y244 HydrophobicContact CD2-CD2 3.81Å; L149-Y244 HydrophobicContact CD2-CE1 4.43Å; L149-Y244 HydrophobicContact CD2-CE2 3.43Å; L149-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L149-Y244 HydrophobicContact CD2-CG 4.44Å; L149-L249 HydrophobicContact CD1-CD1 3.39Å; L149-L249 HydrophobicContact CG-CD1 3.99Å; L149-L252 HydrophobicContact CD2-CD1 3.96Å
150	G	98.1	Very high	98.1	Very high	24 Å²	24	22.1 Å²	22.1	25%	0.247	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	28.4	173.9	0	0	0	0	0	114.3	F146 L147 K148 E152 K227	F146-G150 PolarHBondContact O-N 2.86Å; F146-G150 VanDerWaalsContact O-N 3.13Å; L147-G150 WeakPolarHBondContact O-CA 3.41Å; L147-G150 PolarHBondContact O-N 3.07Å; K148-G150 PolarHBondContact O-N 3.08Å; G150-E152 PolarHBondContact O-N 3.11Å; G150-K227 VanDerWaalsContact O-CD 3.32Å; G150-K227 WeakPolarHBondContact O-CD 3.38Å; G150-K227 WeakPolarHBondContact O-CE 3.44Å; G150-K227 PolarHBondContact O-NZ 2.96Å
151	L	98.7	Very high	97.9	Very high	11 Å²	11	21.5 Å²	21.5	6%	0.058	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-58	119.8	167.4	177.2	62.5	0	0	0	109.9	F146 H155 V157 A177 N203	F146-L151 HydrophobicContact CB-CB 3.98Å; F146-L151 HydrophobicContact CB-CD2 3.75Å; F146-L151 HydrophobicContact CG-CD2 4.42Å; F146-L151 VanDerWaalsContact O-CB 3.28Å; F146-L151 WeakPolarHBondContact O-CB 3.35Å; F146-L151 PolarHBondContact O-N 2.82Å; L151-H155 HydrophobicContact CD1-CB 4.4Å; L151-V157 HydrophobicContact CD1-CG2 3.82Å; L151-V157 HydrophobicContact CD2-CG2 3.71Å; L151-V157 HydrophobicContact CG-CG2 4.35Å; L151-A177 HydrophobicContact CD2-CB 3.7Å; L151-N203 HydrophobicContact CD1-CB 4.23Å
152	E	97.9	Very high	97.6	Very high	91 Å²	91	23.8 Å²	23.8	43%	0.425	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-91	159.4	175.9	-69.3	173.9	-144.7	0	0	111.3	G150 A154 H155 N203 K227	G150-E152 PolarHBondContact O-N 3.11Å; E152-A154 PolarHBondContact O-N 2.98Å; E152-H155 HydrophobicContact CB-CB 4.3Å; E152-H155 WeakPolarHBondContact CB-ND1 3.49Å; E152-H155 PolarHBondContact O-N 2.99Å; E152-H155 IonicContact OE2-CE1 3.46Å; E152-H155 PolarHBondContact OE2-CE1 2.84Å; E152-H155 IonicContact OE2-ND1 3.99Å; E152-H155 IonicContact OE2-NE2 3.93Å; E152-N203 PolarHBondContact N-OD1 2.95Å; E152-K227 IonicContact OE1-NZ 2.66Å; E152-K227 PolarHBondContact OE1-NZ 2.72Å
153	R	96.1	Very high	97.4	Very high	94 Å²	94	24.7 Å²	24.7	36%	0.355	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	139.6	173.3	-67.4	-62.9	-57.6	-156	-6.4	110.5	H155 I264	R153-H155 PolarHBondContact O-N 3.38Å; R153-H155 PolarHBondContact O-ND1 3.21Å; R153-I264 PolarHBondContact NH1-O 2.77Å; R153-I264 VanDerWaalsContact NH1-O 3.12Å
154	A	93.9	Very high	97.3	Very high	16 Å²	16	25 Å²	25	13%	0.132	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	24.5	179	0	0	0	0	0	114.7	D84 E152 G178 I180 R201	D84-A154 HydrophobicContact CB-CB 3.83Å; E152-A154 PolarHBondContact O-N 2.98Å; A154-G178 PolarHBondContact N-O 2.82Å; A154-I180 HydrophobicContact CB-CD1 4.37Å; A154-R201 PolarHBondContact O-NH2 2.56Å
155	H	98.5	Very high	97.2	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.083	12%	0.122	C	C	.	.			trans	-106.8	158.7	165.8	-72.9	70.8	0	0	0	109.7	L151 E152 R153 G179 I180 R201 N203	L151-H155 HydrophobicContact CD1-CB 4.4Å; E152-H155 HydrophobicContact CB-CB 4.3Å; E152-H155 WeakPolarHBondContact CB-ND1 3.49Å; E152-H155 PolarHBondContact O-N 2.99Å; E152-H155 IonicContact OE2-CE1 3.46Å; E152-H155 PolarHBondContact OE2-CE1 2.84Å; E152-H155 IonicContact OE2-ND1 3.99Å; E152-H155 IonicContact OE2-NE2 3.93Å; R153-H155 PolarHBondContact O-N 3.38Å; R153-H155 PolarHBondContact O-ND1 3.21Å; H155-G179 CarbonylContact O-C 3.45Å; H155-G179 VanDerWaalsContact O-CA 3.29Å; H155-G179 WeakPolarHBondContact O-CA 3.32Å; H155-I180 PolarHBondContact O-N 3.36Å; H155-R201 PolarHBondContact CD2-O 2.91Å; H155-N203 WeakPolarHBondContact CB-OD1 3.32Å
156	S	98.8	Very high	97.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	147	-172.9	-73.8	0	0	0	0	113.7	I180 T182 C200 A202 N203	S156-I180 WeakPolarHBondContact CA-O 3.44Å; S156-I180 WeakPolarHBondContact CB-O 3.2Å; S156-I180 PolarHBondContact OG-O 3.35Å; S156-T182 VanDerWaalsContact CB-OG1 3.3Å; S156-T182 WeakPolarHBondContact CB-OG1 3.42Å; S156-T182 PolarHBondContact OG-OG1 3.03Å; S156-C200 WeakPolarHBondContact CB-O 3.43Å; S156-C200 VanDerWaalsContact CB-SG 3.51Å; S156-C200 WeakPolarHBondContact OG-CB 3.5Å; S156-C200 PolarHBondContact OG-O 3.49Å; S156-A202 CarbonylContact O-C 3.6Å; S156-A202 VanDerWaalsContact O-CA 3.3Å; S156-A202 WeakPolarHBondContact O-CA 3.49Å; S156-N203 PolarHBondContact O-N 2.82Å
157	V	98.9	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.4	149.8	179.2	0	0	0	0	106.4	F146 L151 I159 T174 I180 T182 V204 V206	F146-V157 HydrophobicContact CD1-CG2 4.4Å; F146-V157 HydrophobicContact CD2-CG2 4.12Å; F146-V157 HydrophobicContact CE1-CG1 4.11Å; F146-V157 HydrophobicContact CE2-CG1 4.24Å; F146-V157 HydrophobicContact CE2-CG2 4.27Å; F146-V157 HydrophobicContact CG-CG2 4.2Å; F146-V157 HydrophobicContact CZ-CG1 3.86Å; L151-V157 HydrophobicContact CD1-CG2 3.82Å; L151-V157 HydrophobicContact CD2-CG2 3.71Å; L151-V157 HydrophobicContact CG-CG2 4.35Å; V157-I159 HydrophobicContact CG1-CG1 4.44Å; V157-T174 HydrophobicContact CB-CG2 3.73Å; V157-T174 WeakPolarHBondContact CB-OG1 3.48Å; V157-T174 HydrophobicContact CG2-CG2 3.7Å; V157-T174 WeakPolarHBondContact CG2-OG1 3.44Å; V157-I180 PolarHBondContact N-O 3.06Å; V157-T182 PolarHBondContact O-N 2.84Å; V157-V204 CarbonylContact C-O 3.4Å; V157-V204 VanDerWaalsContact CA-O 3.3Å; V157-V204 WeakPolarHBondContact CA-O 3.41Å; V157-V204 HydrophobicContact CG1-CB 4.3Å; V157-V204 HydrophobicContact CG1-CG1 4.49Å; V157-V204 HydrophobicContact CG2-CB 4.25Å; V157-V206 HydrophobicContact CG1-CG2 3.69Å
158	A	98.7	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.3	176.5	0	0	0	0	0	110.2	T182 I184 A202 V204 I205 V206	A158-T182 CarbonylContact C-O 3.55Å; A158-T182 WeakPolarHBondContact CA-O 3.47Å; A158-I184 HydrophobicContact CB-CD1 3.88Å; A158-I184 HydrophobicContact CB-CG1 4.35Å; A158-A202 HydrophobicContact CB-CB 4.15Å; A158-V204 PolarHBondContact N-O 3.49Å; A158-I205 HydrophobicContact CB-CG1 4.1Å; A158-I205 HydrophobicContact CB-CG2 4.44Å; A158-I205 CarbonylContact O-C 3.3Å; A158-I205 VanDerWaalsContact O-CA 3.28Å; A158-I205 WeakPolarHBondContact O-CA 3.31Å; A158-V206 PolarHBondContact O-N 2.9Å
159	I	98.6	Very high	97.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.3	-177.9	-47.6	170.6	0	0	0	109.1	V157 W167 A171 V181 T182 I184 V206	V157-I159 HydrophobicContact CG1-CG1 4.44Å; I159-W167 HydrophobicContact CD1-CD2 4.38Å; I159-W167 HydrophobicContact CD1-CZ2 4.37Å; I159-W167 HydrophobicContact CG2-CD2 4.4Å; I159-W167 HydrophobicContact CG2-CG 3.93Å; I159-W167 VanDerWaalsContact CG2-NE1 3.28Å; I159-A171 HydrophobicContact CD1-CB 4.3Å; I159-V181 HydrophobicContact CD1-CG1 4.44Å; I159-T182 PolarHBondContact N-O 3.02Å; I159-I184 PolarHBondContact O-N 3.21Å; I159-V206 WeakPolarHBondContact CA-O 3.48Å; I159-V206 HydrophobicContact CG1-CB 4.37Å; I159-V206 HydrophobicContact CG2-CB 4.2Å; I159-V206 HydrophobicContact CG2-CG1 4.44Å
160	L	95.9	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	89.7	-178.6	173.7	61	0	0	0	109.6	I184 Y185 V206 V207 D208 Q212 I216	L160-I184 HydrophobicContact CB-CB 4.21Å; L160-I184 HydrophobicContact CD1-CB 4.04Å; L160-I184 HydrophobicContact CD1-CG2 3.85Å; L160-Y185 VanDerWaalsContact CD1-O 3.29Å; L160-Y185 WeakPolarHBondContact CD1-O 3.34Å; L160-V206 PolarHBondContact N-O 3.38Å; L160-V207 HydrophobicContact CB-CG1 4.29Å; L160-V207 WeakPolarHBondContact O-CA 3.13Å; L160-D208 PolarHBondContact O-N 2.87Å; L160-Q212 HydrophobicContact CD2-CB 4.03Å; L160-Q212 HydrophobicContact CD2-CG 4.43Å; L160-Q212 HydrophobicContact CG-CB 4.12Å; L160-Q212 HydrophobicContact CG-CG 4.13Å; L160-I216 HydrophobicContact CD2-CD1 3.96Å; L160-I216 HydrophobicContact CD2-CG1 4.36Å
161	G	93.6	Very high	97.1	Very high	5 Å²	5	17.6 Å²	17.6	5%	0.052	8%	0.083	C	C	.	.	S	Bend	trans	-176.5	167.6	-179.8	0	0	0	0	0	113.3	D208 Y232	G161-D208 VanDerWaalsContact CA-CG 3.45Å; G161-D208 VanDerWaalsContact CA-OD2 3.23Å; G161-D208 WeakPolarHBondContact CA-OD2 3.4Å; G161-Y232 WeakPolarHBondContact CA-OH 3.5Å
162	F	92.3	Very high	97.1	Very high	81 Å²	81	17.1 Å²	17.1	36%	0.355	8%	0.08	S	C	.	.			trans	-69.4	163	172.6	-72.6	-77.3	0	0	0	111.9	S164 T186 D208 Y232 P350	F162-S164 PolarHBondContact O-N 3.2Å; F162-T186 HydrophobicContact CD1-CG2 4.38Å; F162-T186 HydrophobicContact CD2-CG2 4.06Å; F162-T186 HydrophobicContact CE1-CG2 4.45Å; F162-T186 HydrophobicContact CE2-CG2 4.13Å; F162-T186 HydrophobicContact CG-CG2 4.19Å; F162-T186 HydrophobicContact CZ-CG2 4.33Å; F162-D208 VanDerWaalsContact CD2-OD2 3.3Å; F162-D208 WeakPolarHBondContact CD2-OD2 3.34Å; F162-D208 PolarHBondContact N-OD2 3.43Å; F162-Y232 PolarHBondContact O-OH 3.3Å; F162-P350 HydrophobicContact CD1-CB 4.42Å; F162-P350 HydrophobicContact CD2-CB 4.14Å; F162-P350 HydrophobicContact CE2-CB 4.46Å; F162-P350 HydrophobicContact CG-CB 4.12Å
163	N	94.8	Very high	97.2	Very high	20 Å²	20	12.8 Å²	12.8	11%	0.107	6%	0.06	C	C	.	.	S	Bend	trans	-60.6	127.4	-178.1	-59	19.7	0	0	0	110.5	S321 Y322 L323 L325 F347	N163-S321 PolarHBondContact ND2-OG 3.37Å; N163-Y322 PolarHBondContact ND2-N 3.11Å; N163-L323 PolarHBondContact ND2-O 3.02Å; N163-L323 PolarHBondContact OD1-O 2.83Å; N163-L325 HydrophobicContact CB-CD1 3.74Å; N163-L325 HydrophobicContact CB-CG 4.42Å; N163-L325 VanDerWaalsContact CG-CD1 3.47Å; N163-F347 HydrophobicContact CB-CD1 3.84Å; N163-F347 HydrophobicContact CB-CE1 4.2Å
164	S	95.8	Very high	97.3	Very high	5 Å²	5	8.3 Å²	8.3	4%	0.035	4%	0.043	C	C	.	.			trans	-158	167.7	177	81.8	0	0	0	0	110.8	F162 E166 W167 F168 Y232 F347	F162-S164 PolarHBondContact O-N 3.2Å; S164-E166 WeakPolarHBondContact CB-OE2 3.34Å; S164-E166 PolarHBondContact O-N 2.94Å; S164-E166 PolarHBondContact OG-N 2.86Å; S164-E166 PolarHBondContact OG-OE2 2.89Å; S164-W167 WeakPolarHBondContact O-CB 3.22Å; S164-W167 PolarHBondContact O-N 2.9Å; S164-W167 PolarHBondContact OG-N 2.92Å; S164-F168 PolarHBondContact O-N 2.94Å; S164-Y232 WeakPolarHBondContact OG-CE2 3.35Å; S164-F347 WeakPolarHBondContact O-CE1 3.49Å; S164-F347 WeakPolarHBondContact O-CZ 3.45Å
165	P	97.5	Very high	97.5	Very high	6 Å²	6	7.6 Å²	7.6	4%	0.039	4%	0.037	C	C	.	.	H	α-helix	trans	-55.3	-37.8	170.3	-23.5	33.5	0	0	0	112.6	L119 F121 I130 W167 F168 F169 F347	L119-P165 HydrophobicContact CD1-CB 4.11Å; F121-P165 HydrophobicContact CB-CG 3.94Å; F121-P165 HydrophobicContact CD1-CG 3.42Å; F121-P165 VanDerWaalsContact CD1-CG 3.42Å; F121-P165 HydrophobicContact CD2-CG 4.45Å; F121-P165 HydrophobicContact CE1-CG 4.12Å; F121-P165 HydrophobicContact CG-CG 3.65Å; I130-P165 HydrophobicContact CD1-CB 4.44Å; P165-W167 VanDerWaalsContact C-N 3.32Å; P165-W167 PolarHBondContact O-N 3.29Å; P165-F168 CarbonylContact O-C 3.52Å; P165-F168 WeakPolarHBondContact O-CA 3.35Å; P165-F168 VanDerWaalsContact O-CB 3.29Å; P165-F168 WeakPolarHBondContact O-CB 3.23Å; P165-F168 PolarHBondContact O-N 3.27Å; P165-F169 HydrophobicContact CB-CE1 4.15Å; P165-F169 HydrophobicContact CB-CE2 3.67Å; P165-F169 HydrophobicContact CB-CZ 3.4Å; P165-F169 VanDerWaalsContact CB-CZ 3.4Å; P165-F169 VanDerWaalsContact O-CD1 3.28Å; P165-F169 WeakPolarHBondContact O-CD1 3.42Å; P165-F169 VanDerWaalsContact O-CD2 3.3Å; P165-F169 WeakPolarHBondContact O-CD2 3.42Å; P165-F169 WeakPolarHBondContact O-CG 3.34Å; P165-F169 PolarHBondContact O-N 3.49Å; P165-F347 HydrophobicContact CB-CE2 4.36Å; P165-F347 HydrophobicContact CG-CD2 3.97Å; P165-F347 HydrophobicContact CG-CE2 3.76Å
166	E	97.7	Very high	97.6	Very high	18 Å²	18	6.7 Å²	6.7	8%	0.084	3%	0.033	C	C	.	.	H	α-helix	trans	-65.6	-33.1	178.8	-58.9	83.1	-177.5	0	0	113	L43 S164 F168 F169 S170 Y232 M246	L43-E166 HydrophobicContact CD1-CG 3.97Å; S164-E166 WeakPolarHBondContact CB-OE2 3.34Å; S164-E166 PolarHBondContact O-N 2.94Å; S164-E166 PolarHBondContact OG-N 2.86Å; S164-E166 PolarHBondContact OG-OE2 2.89Å; E166-F168 VanDerWaalsContact C-N 3.3Å; E166-F169 HydrophobicContact CB-CD2 4.49Å; E166-F169 HydrophobicContact CG-CD2 4.37Å; E166-F169 PolarHBondContact O-N 3.46Å; E166-S170 VanDerWaalsContact O-CB 3.24Å; E166-S170 WeakPolarHBondContact O-CB 3.48Å; E166-S170 PolarHBondContact O-N 3.16Å; E166-S170 PolarHBondContact O-OG 2.94Å; E166-Y232 HydrophobicContact CB-CD1 4.32Å; E166-Y232 HydrophobicContact CB-CD2 3.69Å; E166-Y232 HydrophobicContact CB-CE2 4.28Å; E166-Y232 HydrophobicContact CB-CG 3.72Å; E166-Y232 HydrophobicContact CG-CD2 4.09Å; E166-Y232 HydrophobicContact CG-CG 4.18Å; E166-M246 HydrophobicContact CB-CE 3.93Å; E166-M246 HydrophobicContact CG-CE 4.43Å; E166-M246 HydrophobicContact CG-CG 4.16Å
167	W	97.8	Very high	97.5	Very high	1 Å²	1	6.8 Å²	6.8	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-60.1	-44.7	169.7	-161.3	105	0	0	0	110.4	I159 S164 P165 S170 A171 V181 L325 Q331 L335	I159-W167 HydrophobicContact CD1-CD2 4.38Å; I159-W167 HydrophobicContact CD1-CZ2 4.37Å; I159-W167 HydrophobicContact CG2-CD2 4.4Å; I159-W167 HydrophobicContact CG2-CG 3.93Å; I159-W167 VanDerWaalsContact CG2-NE1 3.28Å; S164-W167 WeakPolarHBondContact O-CB 3.22Å; S164-W167 PolarHBondContact O-N 2.9Å; S164-W167 PolarHBondContact OG-N 2.92Å; P165-W167 VanDerWaalsContact C-N 3.32Å; P165-W167 PolarHBondContact O-N 3.29Å; W167-S170 PolarHBondContact O-N 3.33Å; W167-A171 HydrophobicContact CE3-CB 3.96Å; W167-A171 HydrophobicContact CH2-CB 4.34Å; W167-A171 HydrophobicContact CZ3-CB 3.67Å; W167-A171 WeakPolarHBondContact O-CB 3.47Å; W167-A171 PolarHBondContact O-N 3.47Å; W167-V181 HydrophobicContact CH2-CG1 4.35Å; W167-L325 HydrophobicContact CB-CD1 4.14Å; W167-L325 HydrophobicContact CD2-CB 3.71Å; W167-L325 HydrophobicContact CD2-CD1 3.45Å; W167-L325 VanDerWaalsContact CD2-CD1 3.45Å; W167-L325 HydrophobicContact CD2-CG 4.17Å; W167-L325 VanDerWaalsContact CE2-CB 3.42Å; W167-L325 HydrophobicContact CE3-CB 3.84Å; W167-L325 HydrophobicContact CE3-CD1 3.51Å; W167-L325 HydrophobicContact CE3-CD2 4.39Å; W167-L325 HydrophobicContact CE3-CG 4.11Å; W167-L325 HydrophobicContact CG-CB 4.5Å; W167-L325 HydrophobicContact CG-CD1 3.7Å; W167-L325 HydrophobicContact CH2-CB 3.56Å; W167-L325 WeakPolarHBondContact CH2-O 3.11Å; W167-L325 HydrophobicContact CZ2-CB 3.37Å; W167-L325 WeakPolarHBondContact CZ2-O 3.39Å; W167-L325 HydrophobicContact CZ3-CB 3.75Å; W167-L325 HydrophobicContact CZ3-CD1 4.16Å; W167-L325 HydrophobicContact CZ3-CD2 4.27Å; W167-L325 HydrophobicContact CZ3-CG 4.27Å; W167-Q331 HydrophobicContact CH2-CG 3.97Å; W167-Q331 HydrophobicContact CZ3-CG 4.5Å; W167-L335 HydrophobicContact CE3-CD1 3.9Å; W167-L335 HydrophobicContact CZ3-CD1 3.59Å
168	F	98.6	Very high	97.5	Very high	2 Å²	2	7 Å²	7	1%	0.009	4%	0.037	C	C	.	.	H	α-helix	trans	-67.8	-40.2	179.5	-86.2	-128.5	0	0	0	112.7	L119 Y135 S164 P165 E166 V172 L325 D334 L335 V345 F347	L119-F168 HydrophobicContact CD1-CB 4.27Å; L119-F168 HydrophobicContact CD2-CD1 3.63Å; L119-F168 HydrophobicContact CD2-CE1 3.93Å; L119-F168 HydrophobicContact CD2-CG 4.38Å; Y135-F168 HydrophobicContact CE1-CD1 4.37Å; Y135-F168 HydrophobicContact CE2-CB 4.12Å; Y135-F168 WeakPolarHBondContact OH-CB 3.33Å; Y135-F168 PolarHBondContact OH-O 2.99Å; S164-F168 PolarHBondContact O-N 2.94Å; P165-F168 CarbonylContact O-C 3.52Å; P165-F168 WeakPolarHBondContact O-CA 3.35Å; P165-F168 VanDerWaalsContact O-CB 3.29Å; P165-F168 WeakPolarHBondContact O-CB 3.23Å; P165-F168 PolarHBondContact O-N 3.27Å; E166-F168 VanDerWaalsContact C-N 3.3Å; F168-V172 PolarHBondContact O-N 3.43Å; F168-V172 VanDerWaalsContact O-N 3.11Å; F168-L325 HydrophobicContact CD2-CD1 4.09Å; F168-L325 HydrophobicContact CE2-CD1 3.63Å; F168-L325 HydrophobicContact CE2-CD2 3.89Å; F168-L325 HydrophobicContact CE2-CG 4.43Å; F168-L325 HydrophobicContact CZ-CD2 4.39Å; F168-D334 HydrophobicContact CZ-CB 3.96Å; F168-L335 HydrophobicContact CB-CD1 4.25Å; F168-L335 HydrophobicContact CD1-CB 4.21Å; F168-L335 HydrophobicContact CD1-CD1 3.79Å; F168-L335 HydrophobicContact CD1-CG 3.63Å; F168-L335 HydrophobicContact CD2-CD1 3.86Å; F168-L335 HydrophobicContact CD2-CG 4.47Å; F168-L335 HydrophobicContact CE1-CB 3.68Å; F168-L335 HydrophobicContact CE1-CD1 4.09Å; F168-L335 HydrophobicContact CE1-CG 3.64Å; F168-L335 HydrophobicContact CE2-CB 4.31Å; F168-L335 HydrophobicContact CE2-CD1 4.11Å; F168-L335 HydrophobicContact CE2-CG 4.44Å; F168-L335 HydrophobicContact CG-CD1 3.68Å; F168-L335 HydrophobicContact CG-CG 4.07Å; F168-L335 HydrophobicContact CZ-CB 3.72Å; F168-L335 HydrophobicContact CZ-CD1 4.22Å; F168-L335 HydrophobicContact CZ-CG 4.05Å; F168-V345 HydrophobicContact CE1-CG1 4.24Å; F168-V345 HydrophobicContact CE1-CG2 4.3Å; F168-V345 HydrophobicContact CZ-CG1 4Å; F168-F347 HydrophobicContact CD1-CZ 4.38Å; F168-F347 AromaticContact CD2-CE1 3.79Å; F168-F347 HydrophobicContact CD2-CE1 3.79Å; F168-F347 AromaticContact CD2-CZ 3.62Å; F168-F347 HydrophobicContact CD2-CZ 3.62Å; F168-F347 HydrophobicContact CE1-CZ 4.38Å; F168-F347 AromaticContact CE2-CE1 3.55Å; F168-F347 HydrophobicContact CE2-CE1 3.55Å; F168-F347 AromaticContact CE2-CZ 3.66Å; F168-F347 HydrophobicContact CE2-CZ 3.66Å; F168-F347 HydrophobicContact CG-CZ 4.01Å; F168-F347 HydrophobicContact CZ-CE1 4.18Å; F168-F347 HydrophobicContact CZ-CZ 4.05Å
169	F	98.6	Very high	97.5	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.009	4%	0.038	C	C	.	.	H	α-helix	trans	-64.5	-44.8	174.5	-51.7	-30.4	0	0	0	110.9	L119 I130 Y135 I138 V142 P165 E166 G173	L119-F169 HydrophobicContact CD1-CE1 3.65Å; L119-F169 HydrophobicContact CD1-CZ 4.21Å; I130-F169 HydrophobicContact CD1-CE1 4.34Å; I130-F169 HydrophobicContact CD1-CZ 3.6Å; Y135-F169 AromaticContact CD2-CD1 3.47Å; Y135-F169 HydrophobicContact CD2-CD1 3.47Å; Y135-F169 VanDerWaalsContact CD2-CD1 3.47Å; Y135-F169 AromaticContact CD2-CE1 3.61Å; Y135-F169 HydrophobicContact CD2-CE1 3.61Å; Y135-F169 AromaticContact CE2-CD1 3.62Å; Y135-F169 HydrophobicContact CE2-CD1 3.62Å; Y135-F169 HydrophobicContact CE2-CE1 4.12Å; Y135-F169 HydrophobicContact CG-CE1 4.44Å; I138-F169 HydrophobicContact CB-CD1 4.3Å; I138-F169 HydrophobicContact CB-CE1 4.44Å; I138-F169 HydrophobicContact CB-CG 4.48Å; I138-F169 HydrophobicContact CD1-CE1 4.34Å; I138-F169 HydrophobicContact CD1-CE2 4.48Å; I138-F169 HydrophobicContact CD1-CZ 4.09Å; I138-F169 HydrophobicContact CG2-CB 4.04Å; I138-F169 HydrophobicContact CG2-CD1 3.8Å; I138-F169 HydrophobicContact CG2-CD2 3.53Å; I138-F169 HydrophobicContact CG2-CE1 4.15Å; I138-F169 HydrophobicContact CG2-CE2 3.91Å; I138-F169 HydrophobicContact CG2-CG 3.51Å; I138-F169 HydrophobicContact CG2-CZ 4.21Å; V142-F169 HydrophobicContact CG2-CB 4.05Å; P165-F169 HydrophobicContact CB-CE1 4.15Å; P165-F169 HydrophobicContact CB-CE2 3.67Å; P165-F169 HydrophobicContact CB-CZ 3.4Å; P165-F169 VanDerWaalsContact CB-CZ 3.4Å; P165-F169 VanDerWaalsContact O-CD1 3.28Å; P165-F169 WeakPolarHBondContact O-CD1 3.42Å; P165-F169 VanDerWaalsContact O-CD2 3.3Å; P165-F169 WeakPolarHBondContact O-CD2 3.42Å; P165-F169 WeakPolarHBondContact O-CG 3.34Å; P165-F169 PolarHBondContact O-N 3.49Å; E166-F169 HydrophobicContact CB-CD2 4.49Å; E166-F169 HydrophobicContact CG-CD2 4.37Å; E166-F169 PolarHBondContact O-N 3.46Å; F169-G173 WeakPolarHBondContact O-CA 3.29Å; F169-G173 PolarHBondContact O-N 3.4Å
170	S	98.8	Very high	97.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177.9	-59.4	0	0	0	0	111.1	E166 W167 T174	E166-S170 VanDerWaalsContact O-CB 3.24Å; E166-S170 WeakPolarHBondContact O-CB 3.48Å; E166-S170 PolarHBondContact O-N 3.16Å; E166-S170 PolarHBondContact O-OG 2.94Å; W167-S170 PolarHBondContact O-N 3.33Å; S170-T174 VanDerWaalsContact O-CB 3.25Å; S170-T174 WeakPolarHBondContact O-CB 3.49Å; S170-T174 PolarHBondContact O-N 2.99Å; S170-T174 PolarHBondContact O-OG1 3.26Å
171	A	98.7	Very high	97.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62	-55.3	179.4	0	0	0	0	0	111.7	I159 W167 G173 T174 V175 V181 L335	I159-A171 HydrophobicContact CD1-CB 4.3Å; W167-A171 HydrophobicContact CE3-CB 3.96Å; W167-A171 HydrophobicContact CH2-CB 4.34Å; W167-A171 HydrophobicContact CZ3-CB 3.67Å; W167-A171 WeakPolarHBondContact O-CB 3.47Å; W167-A171 PolarHBondContact O-N 3.47Å; A171-G173 PolarHBondContact O-N 2.92Å; A171-T174 PolarHBondContact O-N 3.19Å; A171-V175 PolarHBondContact O-N 3.2Å; A171-V181 VanDerWaalsContact CA-CG2 3.47Å; A171-V181 HydrophobicContact CB-CG1 4.25Å; A171-V181 HydrophobicContact CB-CG2 4.03Å; A171-V181 WeakPolarHBondContact O-CG2 3.43Å; A171-L335 HydrophobicContact CB-CD1 3.81Å
172	V	98.8	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-66	-42.5	-179.9	175.7	0	0	0	0	111.4	F106 Y135 A139 F168 T174 V175 F176 L335 W336 I339	F106-V172 HydrophobicContact CD2-CG1 3.73Å; F106-V172 HydrophobicContact CD2-CG2 4.39Å; F106-V172 HydrophobicContact CE2-CG1 3.84Å; F106-V172 HydrophobicContact CE2-CG2 4.22Å; Y135-V172 HydrophobicContact CE2-CB 4.47Å; Y135-V172 HydrophobicContact CE2-CG2 4.22Å; Y135-V172 WeakPolarHBondContact OH-CG2 3.45Å; A139-V172 HydrophobicContact CB-CB 3.86Å; A139-V172 HydrophobicContact CB-CG1 3.57Å; F168-V172 PolarHBondContact O-N 3.43Å; F168-V172 VanDerWaalsContact O-N 3.11Å; V172-T174 VanDerWaalsContact C-N 3.29Å; V172-T174 PolarHBondContact O-N 3.13Å; V172-V175 PolarHBondContact O-N 3.13Å; V172-V175 VanDerWaalsContact O-N 3.15Å; V172-F176 HydrophobicContact CG1-CD1 3.92Å; V172-F176 HydrophobicContact CG1-CD2 4.07Å; V172-F176 HydrophobicContact CG1-CE1 3.47Å; V172-F176 VanDerWaalsContact CG1-CE1 3.47Å; V172-F176 HydrophobicContact CG1-CE2 3.66Å; V172-F176 HydrophobicContact CG1-CG 4.21Å; V172-F176 HydrophobicContact CG1-CZ 3.34Å; V172-F176 WeakPolarHBondContact O-CD1 3.31Å; V172-F176 WeakPolarHBondContact O-CG 3.44Å; V172-F176 PolarHBondContact O-N 2.9Å; V172-L335 HydrophobicContact CG2-CD2 4.32Å; V172-W336 HydrophobicContact CG2-CH2 4.32Å; V172-W336 HydrophobicContact CG2-CZ3 3.98Å; V172-I339 HydrophobicContact CG2-CD1 3.85Å
173	G	98.7	Very high	98.1	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61.4	-37.2	179.2	0	0	0	0	0	112.8	A139 A143 F169 A171 F176 A177	A139-G173 VanDerWaalsContact O-CA 3.28Å; A139-G173 WeakPolarHBondContact O-CA 3.5Å; A143-G173 WeakPolarHBondContact CA-O 3.34Å; A143-G173 WeakPolarHBondContact CB-O 3.42Å; F169-G173 WeakPolarHBondContact O-CA 3.29Å; F169-G173 PolarHBondContact O-N 3.4Å; A171-G173 PolarHBondContact O-N 2.92Å; G173-F176 PolarHBondContact O-N 3.46Å; G173-A177 WeakPolarHBondContact O-CB 3.43Å; G173-A177 PolarHBondContact O-N 2.86Å
174	T	98.9	Very high	98	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.9	-47.3	173.4	-61.6	0	0	0	0	111.5	F146 V157 S170 A171 V172 A177 G178 G179 V181	F146-T174 WeakPolarHBondContact CE2-OG1 3.47Å; V157-T174 HydrophobicContact CB-CG2 3.73Å; V157-T174 WeakPolarHBondContact CB-OG1 3.48Å; V157-T174 HydrophobicContact CG2-CG2 3.7Å; V157-T174 WeakPolarHBondContact CG2-OG1 3.44Å; S170-T174 VanDerWaalsContact O-CB 3.25Å; S170-T174 WeakPolarHBondContact O-CB 3.49Å; S170-T174 PolarHBondContact O-N 2.99Å; S170-T174 PolarHBondContact O-OG1 3.26Å; A171-T174 PolarHBondContact O-N 3.19Å; V172-T174 VanDerWaalsContact C-N 3.29Å; V172-T174 PolarHBondContact O-N 3.13Å; T174-A177 PolarHBondContact O-N 3.39Å; T174-G178 PolarHBondContact O-N 3.36Å; T174-G179 WeakPolarHBondContact O-CA 3.3Å; T174-G179 PolarHBondContact O-N 2.81Å; T174-V181 HydrophobicContact CG2-CG2 3.79Å
175	V	98.7	Very high	97.5	Very high	1 Å²	1	4 Å²	4	1%	0.006	2%	0.021	C	C	.	.	H	α-helix	trans	-65.2	-42.7	178.9	-179.2	0	0	0	0	110.6	V102 A171 V172 A177 G178 V181 Q268 C274 Q293 W336	V102-V175 HydrophobicContact CB-CG1 3.85Å; V102-V175 HydrophobicContact CG1-CG1 4.04Å; V102-V175 HydrophobicContact CG2-CG1 4.32Å; A171-V175 PolarHBondContact O-N 3.2Å; V172-V175 PolarHBondContact O-N 3.13Å; V172-V175 VanDerWaalsContact O-N 3.15Å; V175-A177 VanDerWaalsContact C-N 3.3Å; V175-A177 PolarHBondContact O-N 3.5Å; V175-G178 PolarHBondContact O-N 2.54Å; V175-V181 HydrophobicContact CG2-CG2 3.96Å; V175-Q268 PolarHBondContact O-NE2 2.79Å; V175-Q268 PolarHBondContact O-OE1 2.66Å; V175-Q268 VanDerWaalsContact O-OE1 3.08Å; V175-C274 HydrophobicContact CG1-CB 3.99Å; V175-C274 HydrophobicContact CG2-CB 4.12Å; V175-Q293 VanDerWaalsContact CG1-NE2 3.32Å; V175-W336 HydrophobicContact CG2-CH2 4.18Å
176	F	98.7	Very high	96.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61	-39.3	176.9	-73.1	6.4	0	0	0	112	H103 F106 Y136 A139 R140 A143 V172 G173 G178 L261 I265 Q268	H103-F176 HydrophobicContact CB-CD1 4Å; H103-F176 HydrophobicContact CB-CE1 3.79Å; H103-F176 AromaticContact CD2-CE1 3.73Å; H103-F176 AromaticContact CD2-CZ 3.74Å; F106-F176 HydrophobicContact CB-CZ 4.29Å; F106-F176 AromaticContact CD2-CZ 3.84Å; F106-F176 HydrophobicContact CD2-CZ 3.84Å; F106-F176 HydrophobicContact CG-CZ 4.39Å; Y136-F176 AromaticContact CD2-CE2 3.79Å; Y136-F176 HydrophobicContact CD2-CE2 3.79Å; Y136-F176 AromaticContact CD2-CZ 3.9Å; Y136-F176 HydrophobicContact CD2-CZ 3.9Å; Y136-F176 AromaticContact CE2-CE2 3.64Å; Y136-F176 HydrophobicContact CE2-CE2 3.64Å; Y136-F176 AromaticContact CE2-CZ 3.76Å; Y136-F176 HydrophobicContact CE2-CZ 3.76Å; A139-F176 HydrophobicContact CB-CD2 4.47Å; A139-F176 HydrophobicContact CB-CE2 4.25Å; R140-F176 HydrophobicContact CG-CD2 4.05Å; R140-F176 HydrophobicContact CG-CE2 4.16Å; A143-F176 HydrophobicContact CB-CB 3.8Å; V172-F176 HydrophobicContact CG1-CD1 3.92Å; V172-F176 HydrophobicContact CG1-CD2 4.07Å; V172-F176 HydrophobicContact CG1-CE1 3.47Å; V172-F176 VanDerWaalsContact CG1-CE1 3.47Å; V172-F176 HydrophobicContact CG1-CE2 3.66Å; V172-F176 HydrophobicContact CG1-CG 4.21Å; V172-F176 HydrophobicContact CG1-CZ 3.34Å; V172-F176 WeakPolarHBondContact O-CD1 3.31Å; V172-F176 WeakPolarHBondContact O-CG 3.44Å; V172-F176 PolarHBondContact O-N 2.9Å; G173-F176 PolarHBondContact O-N 3.46Å; F176-G178 PolarHBondContact O-N 3.06Å; F176-L261 HydrophobicContact CB-CD1 4.42Å; F176-I265 HydrophobicContact CB-CD1 4.36Å; F176-I265 HydrophobicContact CB-CG1 4.49Å; F176-I265 WeakPolarHBondContact O-CG1 3.31Å; F176-Q268 PolarHBondContact O-NE2 2.89Å; F176-Q268 VanDerWaalsContact O-NE2 3.11Å
177	A	98.6	Very high	96.1	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.008	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-1	174.9	0	0	0	0	0	114.1	A143 L147 L151 G173 T174 V175 G179 I264	A143-A177 HydrophobicContact CB-CB 4.09Å; L147-A177 HydrophobicContact CD2-CB 3.96Å; L147-A177 HydrophobicContact CG-CB 4Å; L151-A177 HydrophobicContact CD2-CB 3.7Å; G173-A177 WeakPolarHBondContact O-CB 3.43Å; G173-A177 PolarHBondContact O-N 2.86Å; T174-A177 PolarHBondContact O-N 3.39Å; V175-A177 VanDerWaalsContact C-N 3.3Å; V175-A177 PolarHBondContact O-N 3.5Å; A177-G179 VanDerWaalsContact C-N 3.32Å; A177-I264 WeakPolarHBondContact O-CG2 3.42Å
178	G	98.2	Very high	95.1	Very high	6 Å²	6	10.2 Å²	10.2	6%	0.062	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	16.1	-179.8	0	0	0	0	0	115.1	A154 T174 V175 F176	A154-G178 PolarHBondContact N-O 2.82Å; T174-G178 PolarHBondContact O-N 3.36Å; V175-G178 PolarHBondContact O-N 2.54Å; F176-G178 PolarHBondContact O-N 3.06Å
179	G	98.6	Very high	94.1	Very high	2 Å²	2	12.5 Å²	12.5	2%	0.021	8%	0.077	C	C	.	.			trans	-91.3	-176.3	172.6	0	0	0	0	0	112.5	H155 T174 A177	H155-G179 CarbonylContact O-C 3.45Å; H155-G179 VanDerWaalsContact O-CA 3.29Å; H155-G179 WeakPolarHBondContact O-CA 3.32Å; T174-G179 WeakPolarHBondContact O-CA 3.3Å; T174-G179 PolarHBondContact O-N 2.81Å; A177-G179 VanDerWaalsContact C-N 3.32Å
180	I	98.8	Very high	93.3	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.5	-178.1	-59.4	171.3	0	0	0	109.8	A83 A154 H155 S156 V157 T182 C273 C274 L276	A83-I180 HydrophobicContact CB-CD1 3.78Å; A154-I180 HydrophobicContact CB-CD1 4.37Å; H155-I180 PolarHBondContact O-N 3.36Å; S156-I180 WeakPolarHBondContact CA-O 3.44Å; S156-I180 WeakPolarHBondContact CB-O 3.2Å; S156-I180 PolarHBondContact OG-O 3.35Å; V157-I180 PolarHBondContact N-O 3.06Å; I180-T182 PolarHBondContact O-N 3.25Å; I180-C273 HydrophobicContact CD1-CB 4.23Å; I180-C274 WeakPolarHBondContact CA-O 3.37Å; I180-L276 HydrophobicContact CG2-CB 3.97Å; I180-L276 HydrophobicContact CG2-CD1 3.69Å; I180-L276 HydrophobicContact CG2-CG 3.63Å
181	V	98.7	Very high	92.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.3	174.9	164.6	0	0	0	0	109.7	I159 W167 A171 T174 V175 C274 V275 L276	I159-V181 HydrophobicContact CD1-CG1 4.44Å; W167-V181 HydrophobicContact CH2-CG1 4.35Å; A171-V181 VanDerWaalsContact CA-CG2 3.47Å; A171-V181 HydrophobicContact CB-CG1 4.25Å; A171-V181 HydrophobicContact CB-CG2 4.03Å; A171-V181 WeakPolarHBondContact O-CG2 3.43Å; T174-V181 HydrophobicContact CG2-CG2 3.79Å; V175-V181 HydrophobicContact CG2-CG2 3.96Å; V181-C274 PolarHBondContact N-O 2.89Å; V181-V275 HydrophobicContact CB-CG2 4.3Å; V181-V275 WeakPolarHBondContact O-CA 3.36Å; V181-L276 PolarHBondContact O-N 3.27Å
182	T	98.6	Very high	91.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	104.4	177.8	-53.6	0	0	0	0	110.7	S156 V157 A158 I159 I180 I196 C200 L276 Y278	S156-T182 VanDerWaalsContact CB-OG1 3.3Å; S156-T182 WeakPolarHBondContact CB-OG1 3.42Å; S156-T182 PolarHBondContact OG-OG1 3.03Å; V157-T182 PolarHBondContact O-N 2.84Å; A158-T182 CarbonylContact C-O 3.55Å; A158-T182 WeakPolarHBondContact CA-O 3.47Å; I159-T182 PolarHBondContact N-O 3.02Å; I180-T182 PolarHBondContact O-N 3.25Å; T182-I196 HydrophobicContact CG2-CG2 4.01Å; T182-C200 HydrophobicContact CG2-CB 4.24Å; T182-L276 HydrophobicContact CG2-CB 4.16Å; T182-Y278 HydrophobicContact CG2-CD2 3.75Å; T182-Y278 HydrophobicContact CG2-CE2 3.58Å
183	G	96.5	Very high	91.1	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.9	177.1	0	0	0	0	0	112.6
184	I	92.2	Very high	90.9	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	173.4	-53.8	-178.5	0	0	0	109.1	A158 I159 L160 T186 I196 S326	A158-I184 HydrophobicContact CB-CD1 3.88Å; A158-I184 HydrophobicContact CB-CG1 4.35Å; I159-I184 PolarHBondContact O-N 3.21Å; L160-I184 HydrophobicContact CB-CB 4.21Å; L160-I184 HydrophobicContact CD1-CB 4.04Å; L160-I184 HydrophobicContact CD1-CG2 3.85Å; I184-T186 PolarHBondContact O-N 3.12Å; I184-I196 HydrophobicContact CD1-CB 4.35Å; I184-I196 HydrophobicContact CD1-CG2 3.89Å; I184-I196 HydrophobicContact CG1-CG2 3.84Å; I184-I196 HydrophobicContact CG2-CD1 4.31Å; I184-S326 PolarHBondContact N-OG 2.96Å; I184-S326 PolarHBondContact O-OG 2.85Å; I184-S326 VanDerWaalsContact O-OG 3.11Å
185	Y	86.7	Confident	90.5	Very high	41 Å²	41	26.8 Å²	26.8	16%	0.161	15%	0.15	C	C	.	.			trans	-62.7	136.2	178.3	-72.3	-83.9	0	0	0	111.2	L160 T187 S188 P324 S326 H327	L160-Y185 VanDerWaalsContact CD1-O 3.29Å; L160-Y185 WeakPolarHBondContact CD1-O 3.34Å; Y185-T187 PolarHBondContact O-N 3.45Å; Y185-T187 VanDerWaalsContact O-N 3.14Å; Y185-S188 WeakPolarHBondContact CB-OG 3.3Å; Y185-S188 WeakPolarHBondContact O-CB 3.19Å; Y185-S188 PolarHBondContact O-N 2.9Å; Y185-S188 PolarHBondContact O-OG 3.17Å; Y185-P324 HydrophobicContact CD1-CB 3.92Å; Y185-P324 HydrophobicContact CD1-CG 4.39Å; Y185-P324 HydrophobicContact CE1-CB 3.66Å; Y185-P324 HydrophobicContact CE1-CG 4.11Å; Y185-S326 PolarHBondContact N-OG 2.81Å; Y185-H327 PolarHBondContact OH-CD2 2.86Å
186	T	85.1	Confident	90.2	Very high	25 Å²	25	27.1 Å²	27.1	15%	0.153	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.1	177.2	55.4	0	0	0	0	113.5	F162 I184 S188 Q212 K215	F162-T186 HydrophobicContact CD1-CG2 4.38Å; F162-T186 HydrophobicContact CD2-CG2 4.06Å; F162-T186 HydrophobicContact CE1-CG2 4.45Å; F162-T186 HydrophobicContact CE2-CG2 4.13Å; F162-T186 HydrophobicContact CG-CG2 4.19Å; F162-T186 HydrophobicContact CZ-CG2 4.33Å; I184-T186 PolarHBondContact O-N 3.12Å; T186-S188 VanDerWaalsContact C-N 3.34Å; T186-Q212 PolarHBondContact O-NE2 2.93Å; T186-Q212 VanDerWaalsContact O-NE2 3.09Å; T186-K215 PolarHBondContact O-NZ 3.01Å
187	T	79.4	Confident	90.1	Very high	110 Å²	110	27.3 Å²	27.3	68%	0.675	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.5	176	53.5	0	0	0	0	114	Y185	Y185-T187 PolarHBondContact O-N 3.45Å; Y185-T187 VanDerWaalsContact O-N 3.14Å
188	S	78	Confident	90.1	Very high	19 Å²	19	31.9 Å²	31.9	13%	0.133	17%	0.174	C	C	.	.			trans	-62.8	143	178.8	-54.7	0	0	0	0	111.6	Y185 T186 K215	Y185-S188 WeakPolarHBondContact CB-OG 3.3Å; Y185-S188 WeakPolarHBondContact O-CB 3.19Å; Y185-S188 PolarHBondContact O-N 2.9Å; Y185-S188 PolarHBondContact O-OG 3.17Å; T186-S188 VanDerWaalsContact C-N 3.34Å; S188-K215 PolarHBondContact O-NZ 3.12Å
189	S	77.6	Confident	90	Very high	51 Å²	51	32.6 Å²	32.6	36%	0.357	18%	0.176	S	C	.	.			trans	-72.4	160.2	171.5	83.8	0	0	0	0	110.8	E191 A192 C193	S189-E191 VanDerWaalsContact CB-OE2 3.23Å; S189-E191 WeakPolarHBondContact CB-OE2 3.41Å; S189-E191 PolarHBondContact O-N 3.04Å; S189-E191 PolarHBondContact OG-N 2.69Å; S189-E191 PolarHBondContact OG-OE2 2.95Å; S189-A192 PolarHBondContact O-N 3.06Å; S189-A192 PolarHBondContact OG-N 3.38Å; S189-C193 PolarHBondContact O-N 2.94Å; S189-C193 PolarHBondContact O-SG 3.22Å
190	P	81.1	Confident	90	Very high	30 Å²	30	32.7 Å²	32.7	20%	0.195	18%	0.177	C	C	.	.	H	α-helix	trans	-53	-39.8	173.4	-25.9	35.7	0	0	0	113	C193 Q194 K215 I219	P190-C193 WeakPolarHBondContact O-CB 3.44Å; P190-C193 PolarHBondContact O-N 3.5Å; P190-Q194 WeakPolarHBondContact O-CB 3.37Å; P190-Q194 PolarHBondContact O-N 3.18Å; P190-K215 HydrophobicContact CG-CB 4.44Å; P190-K215 HydrophobicContact CG-CG 4.3Å; P190-I219 HydrophobicContact CB-CG2 4.07Å
191	E	79.8	Confident	90	Very high	123 Å²	123	36.6 Å²	36.6	58%	0.575	19%	0.191	S	C	*	.	H	α-helix	trans	-66.7	-40.8	-179.9	-56.3	69.9	-148.8	0	0	111.3	S189 Q194 Y195	S189-E191 VanDerWaalsContact CB-OE2 3.23Å; S189-E191 WeakPolarHBondContact CB-OE2 3.41Å; S189-E191 PolarHBondContact O-N 3.04Å; S189-E191 PolarHBondContact OG-N 2.69Å; S189-E191 PolarHBondContact OG-OE2 2.95Å; E191-Q194 PolarHBondContact O-N 2.91Å; E191-Y195 PolarHBondContact O-N 3.25Å
192	A	82	Confident	90	Very high	31 Å²	31	36.7 Å²	36.7	26%	0.256	19%	0.192	S	C	.	.	H	α-helix	trans	-65.6	-40.7	173.7	0	0	0	0	0	111.6	S189 Q194 Y195 I196	S189-A192 PolarHBondContact O-N 3.06Å; S189-A192 PolarHBondContact OG-N 3.38Å; A192-Q194 VanDerWaalsContact C-N 3.33Å; A192-Q194 PolarHBondContact O-N 3.46Å; A192-Y195 PolarHBondContact O-N 2.94Å; A192-I196 WeakPolarHBondContact O-CB 3.4Å; A192-I196 WeakPolarHBondContact O-CG1 3.28Å; A192-I196 PolarHBondContact O-N 2.87Å
193	C	88.7	Confident	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-42	173.6	-66.2	0	0	0	0	111.4	S189 P190 S197 I216 I219	S189-C193 PolarHBondContact O-N 2.94Å; S189-C193 PolarHBondContact O-SG 3.22Å; P190-C193 WeakPolarHBondContact O-CB 3.44Å; P190-C193 PolarHBondContact O-N 3.5Å; C193-S197 WeakPolarHBondContact O-CB 3.16Å; C193-S197 PolarHBondContact O-N 2.76Å; C193-S197 PolarHBondContact O-OG 3.4Å; C193-I216 HydrophobicContact CB-CD1 4.26Å; C193-I219 HydrophobicContact CB-CD1 3.9Å
194	Q	93.9	Very high	90.1	Very high	61 Å²	61	36.6 Å²	36.6	29%	0.285	19%	0.191	S	C	.	.	H	α-helix	trans	-62.5	-50.4	177.5	-177.6	-176.7	-22.9	0	0	111.2	P190 E191 A192 I196 S197 H198 I219 D222 L223	P190-Q194 WeakPolarHBondContact O-CB 3.37Å; P190-Q194 PolarHBondContact O-N 3.18Å; E191-Q194 PolarHBondContact O-N 2.91Å; A192-Q194 VanDerWaalsContact C-N 3.33Å; A192-Q194 PolarHBondContact O-N 3.46Å; Q194-I196 PolarHBondContact O-N 3.33Å; Q194-S197 PolarHBondContact O-N 2.83Å; Q194-H198 WeakPolarHBondContact O-CB 3.33Å; Q194-H198 PolarHBondContact O-N 3.4Å; Q194-I219 HydrophobicContact CB-CB 4.01Å; Q194-I219 HydrophobicContact CB-CD1 3.78Å; Q194-I219 HydrophobicContact CB-CG1 4.48Å; Q194-I219 HydrophobicContact CB-CG2 4.03Å; Q194-I219 HydrophobicContact CG-CB 4.25Å; Q194-D222 HydrophobicContact CG-CB 4.38Å; Q194-D222 VanDerWaalsContact NE2-CB 3.32Å; Q194-L223 HydrophobicContact CG-CD2 4.23Å
195	Y	90	Very high	90.4	Very high	56 Å²	56	36.5 Å²	36.5	22%	0.22	19%	0.19	C	C	.	.	H	α-helix	trans	-56.4	-51.6	178.5	175.2	-94.2	0	0	0	111.5	E191 A192 H198 D199 Y278 N285 P286 M529	E191-Y195 PolarHBondContact O-N 3.25Å; A192-Y195 PolarHBondContact O-N 2.94Å; Y195-H198 PolarHBondContact O-N 3.06Å; Y195-D199 HydrophobicContact CE1-CB 4.5Å; Y195-D199 VanDerWaalsContact O-CB 3.29Å; Y195-D199 WeakPolarHBondContact O-CB 3.16Å; Y195-D199 PolarHBondContact O-N 3.28Å; Y195-Y278 HydrophobicContact CE1-CE1 4.38Å; Y195-N285 HydrophobicContact CD1-CB 4.37Å; Y195-N285 HydrophobicContact CD2-CB 4.3Å; Y195-N285 HydrophobicContact CE1-CB 3.76Å; Y195-N285 HydrophobicContact CE2-CB 3.68Å; Y195-N285 WeakPolarHBondContact CE2-ND2 3.35Å; Y195-N285 WeakPolarHBondContact OH-CB 3.37Å; Y195-P286 HydrophobicContact CD1-CG 4.37Å; Y195-P286 HydrophobicContact CE1-CB 4.37Å; Y195-P286 VanDerWaalsContact CE1-O 3.27Å; Y195-P286 WeakPolarHBondContact CE1-O 3.22Å; Y195-P286 PolarHBondContact OH-O 3.24Å; Y195-M529 WeakPolarHBondContact OH-CE 3.3Å
196	I	92.7	Very high	91	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.046	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-48.8	-179	-69	167.8	0	0	0	110.8	T182 I184 A192 Q194 H198 D199 C200 Y278	T182-I196 HydrophobicContact CG2-CG2 4.01Å; I184-I196 HydrophobicContact CD1-CB 4.35Å; I184-I196 HydrophobicContact CD1-CG2 3.89Å; I184-I196 HydrophobicContact CG1-CG2 3.84Å; I184-I196 HydrophobicContact CG2-CD1 4.31Å; A192-I196 WeakPolarHBondContact O-CB 3.4Å; A192-I196 WeakPolarHBondContact O-CG1 3.28Å; A192-I196 PolarHBondContact O-N 2.87Å; Q194-I196 PolarHBondContact O-N 3.33Å; I196-H198 VanDerWaalsContact C-N 3.3Å; I196-H198 PolarHBondContact O-N 3.44Å; I196-D199 PolarHBondContact O-N 3.24Å; I196-C200 PolarHBondContact O-N 3.26Å; I196-C200 PolarHBondContact O-SG 2.62Å; I196-Y278 HydrophobicContact CB-CD2 4.46Å; I196-Y278 HydrophobicContact CD1-CG 4.28Å; I196-Y278 HydrophobicContact CG1-CD1 3.94Å; I196-Y278 HydrophobicContact CG1-CD2 4.29Å; I196-Y278 HydrophobicContact CG1-CE1 4.34Å; I196-Y278 HydrophobicContact CG1-CG 3.89Å; I196-Y278 HydrophobicContact CG2-CD2 3.54Å; I196-Y278 HydrophobicContact CG2-CE2 3.58Å; I196-Y278 HydrophobicContact CG2-CG 4.04Å
197	S	97.8	Very high	91.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-67	-32	-176.6	-54.2	0	0	0	0	112.7	C193 Q194 R201 A202	C193-S197 WeakPolarHBondContact O-CB 3.16Å; C193-S197 PolarHBondContact O-N 2.76Å; C193-S197 PolarHBondContact O-OG 3.4Å; Q194-S197 PolarHBondContact O-N 2.83Å; S197-R201 PolarHBondContact O-N 2.81Å; S197-A202 PolarHBondContact O-N 2.97Å
198	H	97.7	Very high	92.3	Very high	98 Å²	98	28.2 Å²	28.2	45%	0.454	14%	0.144	S	C	.	.	H	α-helix	trans	-71.5	-51.5	173.9	179	-75.9	0	0	0	111	Q194 Y195 I196 C200 R201 L223	Q194-H198 WeakPolarHBondContact O-CB 3.33Å; Q194-H198 PolarHBondContact O-N 3.4Å; Y195-H198 PolarHBondContact O-N 3.06Å; I196-H198 VanDerWaalsContact C-N 3.3Å; I196-H198 PolarHBondContact O-N 3.44Å; H198-C200 PolarHBondContact O-N 3.31Å; H198-R201 PolarHBondContact O-N 3.38Å; H198-L223 HydrophobicContact CB-CD2 3.97Å
199	D	97	Very high	93	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.107	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-175.9	-176.4	59.3	0	0	0	112.3	Y195 I196 R201 Y278 L527 N528	Y195-D199 HydrophobicContact CE1-CB 4.5Å; Y195-D199 VanDerWaalsContact O-CB 3.29Å; Y195-D199 WeakPolarHBondContact O-CB 3.16Å; Y195-D199 PolarHBondContact O-N 3.28Å; I196-D199 PolarHBondContact O-N 3.24Å; D199-R201 PolarHBondContact O-N 3.25Å; D199-Y278 HydrophobicContact CB-CE1 4.44Å; D199-Y278 WeakPolarHBondContact CB-OH 3.42Å; D199-Y278 VanDerWaalsContact OD2-CE1 3.31Å; D199-Y278 WeakPolarHBondContact OD2-CE1 3.33Å; D199-Y278 PolarHBondContact OD2-OH 3.17Å; D199-L527 WeakPolarHBondContact O-CD2 3.31Å; D199-N528 PolarHBondContact OD1-ND2 3.29Å
200	C	97.7	Very high	93.8	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.034	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-0.3	175.5	76.8	0	0	0	0	114.4	S156 T182 I196 H198 A202 L276 Y278	S156-C200 WeakPolarHBondContact CB-O 3.43Å; S156-C200 VanDerWaalsContact CB-SG 3.51Å; S156-C200 WeakPolarHBondContact OG-CB 3.5Å; S156-C200 PolarHBondContact OG-O 3.49Å; T182-C200 HydrophobicContact CG2-CB 4.24Å; I196-C200 PolarHBondContact O-N 3.26Å; I196-C200 PolarHBondContact O-SG 2.62Å; H198-C200 PolarHBondContact O-N 3.31Å; C200-A202 PolarHBondContact O-N 3.44Å; C200-L276 HydrophobicContact CB-CD1 3.77Å; C200-Y278 HydrophobicContact CB-CE2 4.09Å; C200-Y278 WeakPolarHBondContact CB-OH 3.45Å; C200-Y278 PolarHBondContact N-OH 3.32Å
201	R	98.4	Very high	94.4	Very high	83 Å²	83	33.9 Å²	33.9	31%	0.313	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	53.5	-175.5	-53.9	-177.2	-62.1	-159.8	2.2	112	A154 H155 S197 H198 D199 N203 H225	A154-R201 PolarHBondContact O-NH2 2.56Å; H155-R201 PolarHBondContact CD2-O 2.91Å; S197-R201 PolarHBondContact O-N 2.81Å; H198-R201 PolarHBondContact O-N 3.38Å; D199-R201 PolarHBondContact O-N 3.25Å; R201-N203 PolarHBondContact O-N 3.44Å; R201-H225 HydrophobicContact CB-CB 4.26Å
202	A	98.7	Very high	95.1	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	121.9	-178.1	0	0	0	0	0	111.3	S156 A158 S197 C200 I205 H225 L226	S156-A202 CarbonylContact O-C 3.6Å; S156-A202 VanDerWaalsContact O-CA 3.3Å; S156-A202 WeakPolarHBondContact O-CA 3.49Å; A158-A202 HydrophobicContact CB-CB 4.15Å; S197-A202 PolarHBondContact O-N 2.97Å; C200-A202 PolarHBondContact O-N 3.44Å; A202-I205 HydrophobicContact CB-CG1 4.1Å; A202-H225 CarbonylContact O-C 3.6Å; A202-H225 VanDerWaalsContact O-C 3.3Å; A202-L226 WeakPolarHBondContact O-CA 3.2Å; A202-L226 PolarHBondContact O-N 3.15Å
203	N	98.8	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-33.7	170.5	-72	150.8	0	0	0	112.1	L151 E152 H155 S156 R201 H225 K227 A228	L151-N203 HydrophobicContact CD1-CB 4.23Å; E152-N203 PolarHBondContact N-OD1 2.95Å; H155-N203 WeakPolarHBondContact CB-OD1 3.32Å; S156-N203 PolarHBondContact O-N 2.82Å; R201-N203 PolarHBondContact O-N 3.44Å; N203-H225 WeakPolarHBondContact CA-O 3.19Å; N203-H225 PolarHBondContact ND2-O 3.1Å; N203-K227 HydrophobicContact CB-CD 4.36Å; N203-K227 WeakPolarHBondContact O-CB 3.42Å; N203-K227 PolarHBondContact O-N 2.87Å; N203-A228 PolarHBondContact O-N 3.48Å
204	V	98.9	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.5	177.7	-175.8	0	0	0	0	108.5	F146 L149 V157 A158 V206 A228 V230	F146-V204 HydrophobicContact CD1-CB 4.39Å; F146-V204 HydrophobicContact CD1-CG1 4.08Å; F146-V204 HydrophobicContact CD1-CG2 4.31Å; F146-V204 HydrophobicContact CE1-CG1 3.97Å; L149-V204 HydrophobicContact CB-CG2 4.14Å; V157-V204 CarbonylContact C-O 3.4Å; V157-V204 VanDerWaalsContact CA-O 3.3Å; V157-V204 WeakPolarHBondContact CA-O 3.41Å; V157-V204 HydrophobicContact CG1-CB 4.3Å; V157-V204 HydrophobicContact CG1-CG1 4.49Å; V157-V204 HydrophobicContact CG2-CB 4.25Å; A158-V204 PolarHBondContact N-O 3.49Å; V204-V206 HydrophobicContact CG1-CG2 4.47Å; V204-A228 WeakPolarHBondContact CA-O 3.29Å; V204-V230 HydrophobicContact CG1-CG2 3.85Å
205	I	98.8	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.6	168.9	-57.4	173.8	0	0	0	108.6	A158 A202 V207 I216 L223 L226 A228 V229 V230	A158-I205 HydrophobicContact CB-CG1 4.1Å; A158-I205 HydrophobicContact CB-CG2 4.44Å; A158-I205 CarbonylContact O-C 3.3Å; A158-I205 VanDerWaalsContact O-CA 3.28Å; A158-I205 WeakPolarHBondContact O-CA 3.31Å; A202-I205 HydrophobicContact CB-CG1 4.1Å; I205-V207 HydrophobicContact CG2-CG1 4Å; I205-I216 HydrophobicContact CD1-CD1 4.14Å; I205-I216 HydrophobicContact CD1-CG2 3.9Å; I205-I216 HydrophobicContact CG2-CD1 4.12Å; I205-I216 HydrophobicContact CG2-CG1 4.09Å; I205-L223 HydrophobicContact CD1-CD1 4.01Å; I205-L226 HydrophobicContact CB-CD1 4.35Å; I205-L226 HydrophobicContact CD1-CD1 3.88Å; I205-L226 HydrophobicContact CD1-CD2 3.93Å; I205-L226 HydrophobicContact CG1-CD1 3.68Å; I205-A228 PolarHBondContact N-O 3.34Å; I205-A228 VanDerWaalsContact N-O 3.12Å; I205-V229 HydrophobicContact CB-CG2 4.21Å; I205-V229 CarbonylContact O-C 3.47Å; I205-V229 WeakPolarHBondContact O-CA 3.35Å; I205-V229 WeakPolarHBondContact O-CG1 3.21Å; I205-V230 PolarHBondContact O-N 3.39Å
206	V	98.7	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.6	176.4	-174.5	0	0	0	0	109	F146 V157 A158 I159 L160 V204 V230 Y232 M246	F146-V206 HydrophobicContact CE1-CG2 4.02Å; F146-V206 HydrophobicContact CZ-CG2 3.95Å; V157-V206 HydrophobicContact CG1-CG2 3.69Å; A158-V206 PolarHBondContact O-N 2.9Å; I159-V206 WeakPolarHBondContact CA-O 3.48Å; I159-V206 HydrophobicContact CG1-CB 4.37Å; I159-V206 HydrophobicContact CG2-CB 4.2Å; I159-V206 HydrophobicContact CG2-CG1 4.44Å; L160-V206 PolarHBondContact N-O 3.38Å; V204-V206 HydrophobicContact CG1-CG2 4.47Å; V206-V230 CarbonylContact C-O 3.54Å; V206-V230 WeakPolarHBondContact CA-O 3.43Å; V206-V230 HydrophobicContact CG2-CB 4.26Å; V206-Y232 HydrophobicContact CG1-CD1 3.66Å; V206-Y232 HydrophobicContact CG1-CE1 3.85Å; V206-M246 HydrophobicContact CG1-CE 4.24Å
207	V	97.9	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.9	-176.2	-61.7	0	0	0	0	112.2	L160 I205 Q212 L213 I216 V229 V230 I231 Y232	L160-V207 HydrophobicContact CB-CG1 4.29Å; L160-V207 WeakPolarHBondContact O-CA 3.13Å; I205-V207 HydrophobicContact CG2-CG1 4Å; V207-Q212 HydrophobicContact CB-CB 3.97Å; V207-Q212 HydrophobicContact CG1-CB 4.18Å; V207-L213 HydrophobicContact CG2-CB 4.03Å; V207-I216 HydrophobicContact CG1-CG1 3.97Å; V207-V229 HydrophobicContact CG1-CG1 4.37Å; V207-V229 HydrophobicContact CG2-CG1 3.81Å; V207-V230 PolarHBondContact N-O 2.9Å; V207-I231 HydrophobicContact CG2-CB 3.91Å; V207-I231 HydrophobicContact CG2-CD1 4.42Å; V207-I231 HydrophobicContact CG2-CG1 4.05Å; V207-I231 CarbonylContact O-C 3.57Å; V207-I231 VanDerWaalsContact O-CA 3.25Å; V207-I231 WeakPolarHBondContact O-CA 3.32Å; V207-Y232 VanDerWaalsContact C-CE1 3.47Å; V207-Y232 WeakPolarHBondContact O-CD1 3.33Å; V207-Y232 WeakPolarHBondContact O-CE1 3.36Å; V207-Y232 PolarHBondContact O-N 2.96Å
208	D	94.1	Very high	96.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	-87.4	-20.1	-176.7	65	-3.7	0	0	0	115.7	L160 G161 F162 Q212 Y232 Q233	L160-D208 PolarHBondContact O-N 2.87Å; G161-D208 VanDerWaalsContact CA-CG 3.45Å; G161-D208 VanDerWaalsContact CA-OD2 3.23Å; G161-D208 WeakPolarHBondContact CA-OD2 3.4Å; F162-D208 VanDerWaalsContact CD2-OD2 3.3Å; F162-D208 WeakPolarHBondContact CD2-OD2 3.34Å; F162-D208 PolarHBondContact N-OD2 3.43Å; D208-Q212 WeakPolarHBondContact OD1-CG 3.19Å; D208-Y232 CarbonylContact C-O 3.56Å; D208-Y232 VanDerWaalsContact C-O 3.3Å; D208-Y232 HydrophobicContact CB-CD1 4.44Å; D208-Y232 HydrophobicContact CB-CD2 4.27Å; D208-Y232 HydrophobicContact CB-CE1 3.83Å; D208-Y232 HydrophobicContact CB-CE2 3.6Å; D208-Q233 WeakPolarHBondContact O-CB 3.47Å
209	T	93.5	Very high	96.3	Very high	31 Å²	31	32.1 Å²	32.1	19%	0.19	15%	0.147	C	C	.	.	S	Bend	trans	-151.6	158.7	-167.5	55.1	0	0	0	0	111.1	K211 Q212 L213	T209-K211 PolarHBondContact O-N 3.18Å; T209-Q212 PolarHBondContact O-N 3.32Å; T209-Q212 VanDerWaalsContact O-N 3.08Å; T209-Q212 WeakPolarHBondContact OG1-CG 3.23Å; T209-Q212 PolarHBondContact OG1-N 2.82Å; T209-L213 PolarHBondContact O-N 2.69Å
210	Q	94.3	Very high	96.3	Very high	43 Å²	43	33.6 Å²	33.6	20%	0.201	15%	0.151	C	C	.	.	H	α-helix	trans	-54.8	-36.5	172.4	-179	59.4	33.4	0	0	112.1	Q212 L213 E214	Q210-Q212 PolarHBondContact O-N 3.19Å; Q210-L213 WeakPolarHBondContact O-CB 3.33Å; Q210-L213 PolarHBondContact O-N 3.07Å; Q210-E214 PolarHBondContact NE2-OE1 2.9Å; Q210-E214 WeakPolarHBondContact O-CG 3.39Å; Q210-E214 PolarHBondContact O-N 2.87Å
211	K	92.7	Very high	96.2	Very high	146 Å²	146	41.7 Å²	41.7	64%	0.635	19%	0.186	S	C	*	.	H	α-helix	trans	-61.6	-42.7	177.1	-179.4	178.7	178.1	178.6	0	112.3	T209 K215	T209-K211 PolarHBondContact O-N 3.18Å; K211-K215 PolarHBondContact O-N 3.01Å
212	Q	94.6	Very high	96.1	Very high	8 Å²	8	41 Å²	41	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-73.3	-37.3	176.7	-60.1	-58.8	-2.8	0	0	111.1	L160 T186 V207 D208 T209 Q210 E214 K215 I216	L160-Q212 HydrophobicContact CD2-CB 4.03Å; L160-Q212 HydrophobicContact CD2-CG 4.43Å; L160-Q212 HydrophobicContact CG-CB 4.12Å; L160-Q212 HydrophobicContact CG-CG 4.13Å; T186-Q212 PolarHBondContact O-NE2 2.93Å; T186-Q212 VanDerWaalsContact O-NE2 3.09Å; V207-Q212 HydrophobicContact CB-CB 3.97Å; V207-Q212 HydrophobicContact CG1-CB 4.18Å; D208-Q212 WeakPolarHBondContact OD1-CG 3.19Å; T209-Q212 PolarHBondContact O-N 3.32Å; T209-Q212 VanDerWaalsContact O-N 3.08Å; T209-Q212 WeakPolarHBondContact OG1-CG 3.23Å; T209-Q212 PolarHBondContact OG1-N 2.82Å; Q210-Q212 PolarHBondContact O-N 3.19Å; Q212-E214 VanDerWaalsContact C-N 3.32Å; Q212-E214 PolarHBondContact O-N 3.01Å; Q212-K215 WeakPolarHBondContact O-CB 3.3Å; Q212-K215 PolarHBondContact O-N 2.95Å; Q212-K215 VanDerWaalsContact O-N 3.13Å; Q212-K215 VanDerWaalsContact OE1-CD 3.3Å; Q212-I216 PolarHBondContact O-N 2.81Å
213	L	96.2	Very high	96.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.3	-46.7	172.3	177	60.1	0	0	0	111.5	V207 T209 Q210 K215 I216 L217 V229 I231 P236 V243	V207-L213 HydrophobicContact CG2-CB 4.03Å; T209-L213 PolarHBondContact O-N 2.69Å; Q210-L213 WeakPolarHBondContact O-CB 3.33Å; Q210-L213 PolarHBondContact O-N 3.07Å; L213-K215 VanDerWaalsContact C-N 3.28Å; L213-K215 PolarHBondContact O-N 3Å; L213-I216 PolarHBondContact O-N 2.96Å; L213-L217 HydrophobicContact CD1-CD1 4.29Å; L213-L217 HydrophobicContact CD1-CD2 4.42Å; L213-L217 HydrophobicContact CD1-CG 4.07Å; L213-L217 HydrophobicContact CG-CD1 3.92Å; L213-L217 HydrophobicContact CG-CG 4.19Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.37Å; L213-V229 HydrophobicContact CD1-CB 4.32Å; L213-V229 HydrophobicContact CD1-CG1 3.59Å; L213-I231 HydrophobicContact CB-CD1 4.4Å; L213-I231 HydrophobicContact CD2-CD1 4.29Å; L213-P236 HydrophobicContact CD2-CB 4.17Å; L213-V243 HydrophobicContact CD1-CG1 4.15Å; L213-V243 HydrophobicContact CD1-CG2 4.36Å; L213-V243 HydrophobicContact CD2-CG1 4.11Å
214	E	95.1	Very high	96.1	Very high	93 Å²	93	46 Å²	46	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-59.8	-34.8	177.3	-76.3	172.6	-168.8	0	0	113.6	Q210 Q212 K218	Q210-E214 PolarHBondContact NE2-OE1 2.9Å; Q210-E214 WeakPolarHBondContact O-CG 3.39Å; Q210-E214 PolarHBondContact O-N 2.87Å; Q212-E214 VanDerWaalsContact C-N 3.32Å; Q212-E214 PolarHBondContact O-N 3.01Å; E214-K218 WeakPolarHBondContact O-CG 3.43Å; E214-K218 PolarHBondContact O-N 2.68Å
215	K	93	Very high	96	Very high	31 Å²	31	49.5 Å²	49.5	14%	0.135	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-45.1	173.2	-65.6	-174.3	-169.5	168.9	0	110.8	T186 S188 P190 K211 Q212 L213 K218	T186-K215 PolarHBondContact O-NZ 3.01Å; S188-K215 PolarHBondContact O-NZ 3.12Å; P190-K215 HydrophobicContact CG-CB 4.44Å; P190-K215 HydrophobicContact CG-CG 4.3Å; K211-K215 PolarHBondContact O-N 3.01Å; Q212-K215 WeakPolarHBondContact O-CB 3.3Å; Q212-K215 PolarHBondContact O-N 2.95Å; Q212-K215 VanDerWaalsContact O-N 3.13Å; Q212-K215 VanDerWaalsContact OE1-CD 3.3Å; L213-K215 VanDerWaalsContact C-N 3.28Å; L213-K215 PolarHBondContact O-N 3Å; K215-K218 PolarHBondContact O-N 3.24Å
216	I	97	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-41.5	-179.6	-57.1	-52.8	0	0	0	111.3	L160 C193 I205 V207 Q212 L213 K218 I219 W220 L226 V229	L160-I216 HydrophobicContact CD2-CD1 3.96Å; L160-I216 HydrophobicContact CD2-CG1 4.36Å; C193-I216 HydrophobicContact CB-CD1 4.26Å; I205-I216 HydrophobicContact CD1-CD1 4.14Å; I205-I216 HydrophobicContact CD1-CG2 3.9Å; I205-I216 HydrophobicContact CG2-CD1 4.12Å; I205-I216 HydrophobicContact CG2-CG1 4.09Å; V207-I216 HydrophobicContact CG1-CG1 3.97Å; Q212-I216 PolarHBondContact O-N 2.81Å; L213-I216 PolarHBondContact O-N 2.96Å; I216-K218 PolarHBondContact O-N 3.1Å; I216-I219 HydrophobicContact CD1-CD1 4.12Å; I216-I219 CarbonylContact O-C 3.39Å; I216-I219 WeakPolarHBondContact O-CG1 3.2Å; I216-I219 PolarHBondContact O-N 2.78Å; I216-W220 HydrophobicContact CG2-CE3 4.27Å; I216-W220 PolarHBondContact O-N 2.92Å; I216-L226 HydrophobicContact CG2-CD2 4.1Å; I216-V229 HydrophobicContact CG2-CG2 3.73Å
217	L	95.8	Very high	96	Very high	57 Å²	57	53.6 Å²	53.6	30%	0.298	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-35	177.5	-70.6	173	0	0	0	112.8	L213 I219 W220 M240	L213-L217 HydrophobicContact CD1-CD1 4.29Å; L213-L217 HydrophobicContact CD1-CD2 4.42Å; L213-L217 HydrophobicContact CD1-CG 4.07Å; L213-L217 HydrophobicContact CG-CD1 3.92Å; L213-L217 HydrophobicContact CG-CG 4.19Å; L213-L217 WeakPolarHBondContact O-CG 3.46Å; L213-L217 PolarHBondContact O-N 3.37Å; L217-I219 VanDerWaalsContact C-N 3.27Å; L217-I219 PolarHBondContact O-N 2.69Å; L217-W220 HydrophobicContact CD2-CE3 4.05Å; L217-W220 HydrophobicContact CD2-CZ3 4.33Å; L217-M240 HydrophobicContact CD1-CE 3.67Å; L217-M240 HydrophobicContact CD1-SD 3.96Å; L217-M240 HydrophobicContact CD2-CE 3.57Å; L217-M240 HydrophobicContact CD2-SD 4.49Å; L217-M240 HydrophobicContact CG-CE 4.29Å
218	K	95.3	Very high	96	Very high	146 Å²	146	53.7 Å²	53.7	64%	0.635	26%	0.255	S	S	*	.	H	α-helix	trans	-65.3	-29.6	177.1	-73.6	171.1	-176.8	177.8	0	113.5	E214 K215 I216	E214-K218 WeakPolarHBondContact O-CG 3.43Å; E214-K218 PolarHBondContact O-N 2.68Å; K215-K218 PolarHBondContact O-N 3.24Å; I216-K218 PolarHBondContact O-N 3.1Å
219	I	95.3	Very high	96.2	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-109	-6.6	-173.8	62.3	167.7	0	0	0	113.2	P190 C193 Q194 I216 L217 K221 D222 L223	P190-I219 HydrophobicContact CB-CG2 4.07Å; C193-I219 HydrophobicContact CB-CD1 3.9Å; Q194-I219 HydrophobicContact CB-CB 4.01Å; Q194-I219 HydrophobicContact CB-CD1 3.78Å; Q194-I219 HydrophobicContact CB-CG1 4.48Å; Q194-I219 HydrophobicContact CB-CG2 4.03Å; Q194-I219 HydrophobicContact CG-CB 4.25Å; I216-I219 HydrophobicContact CD1-CD1 4.12Å; I216-I219 CarbonylContact O-C 3.39Å; I216-I219 WeakPolarHBondContact O-CG1 3.2Å; I216-I219 PolarHBondContact O-N 2.78Å; L217-I219 VanDerWaalsContact C-N 3.27Å; L217-I219 PolarHBondContact O-N 2.69Å; I219-K221 VanDerWaalsContact C-N 3.27Å; I219-K221 PolarHBondContact O-N 3.3Å; I219-D222 PolarHBondContact O-N 3.15Å; I219-L223 HydrophobicContact CD1-CD1 4.05Å; I219-L223 HydrophobicContact CG1-CD1 4.17Å
220	W	97.1	Very high	96.5	Very high	51 Å²	51	52.1 Å²	52.1	19%	0.193	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-52.7	-43.7	-172.4	-166.6	-53.8	0	0	0	112.8	I216 L217 D222 L223 L226 V229 N242 V243	I216-W220 HydrophobicContact CG2-CE3 4.27Å; I216-W220 PolarHBondContact O-N 2.92Å; L217-W220 HydrophobicContact CD2-CE3 4.05Å; L217-W220 HydrophobicContact CD2-CZ3 4.33Å; W220-D222 PolarHBondContact O-N 3.15Å; W220-D222 VanDerWaalsContact O-N 3.09Å; W220-L223 WeakPolarHBondContact O-CB 3.03Å; W220-L223 PolarHBondContact O-N 2.89Å; W220-L226 HydrophobicContact CB-CD2 4.49Å; W220-L226 HydrophobicContact CD2-CD2 3.52Å; W220-L226 HydrophobicContact CD2-CG 4.23Å; W220-L226 HydrophobicContact CE3-CD2 3.94Å; W220-L226 HydrophobicContact CG-CD2 3.8Å; W220-L226 HydrophobicContact CZ2-CD2 4.13Å; W220-L226 HydrophobicContact CZ2-CG 3.99Å; W220-L226 HydrophobicContact CZ3-CD2 4.46Å; W220-V229 HydrophobicContact CE3-CG2 3.79Å; W220-V229 HydrophobicContact CH2-CB 3.91Å; W220-V229 HydrophobicContact CH2-CG2 3.52Å; W220-V229 HydrophobicContact CZ3-CB 3.65Å; W220-V229 HydrophobicContact CZ3-CG2 3.08Å; W220-N242 HydrophobicContact CH2-CB 4.15Å; W220-N242 HydrophobicContact CZ2-CB 4.12Å; W220-V243 HydrophobicContact CH2-CG2 4.45Å; W220-V243 HydrophobicContact CZ3-CG2 4.17Å
221	K	96.5	Very high	96.6	Very high	176 Å²	176	50.2 Å²	50.2	77%	0.765	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-58.5	-23.7	-179.8	66.7	177.7	-175.8	174	0	113.8	I219	I219-K221 VanDerWaalsContact C-N 3.27Å; I219-K221 PolarHBondContact O-N 3.3Å
222	D	96.8	Very high	96.6	Very high	68 Å²	68	43.4 Å²	43.4	36%	0.364	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-97.6	7.1	-177.6	-54.7	-53.9	0	0	0	111.7	Q194 I219 W220 P224	Q194-D222 HydrophobicContact CG-CB 4.38Å; Q194-D222 VanDerWaalsContact NE2-CB 3.32Å; I219-D222 PolarHBondContact O-N 3.15Å; W220-D222 PolarHBondContact O-N 3.15Å; W220-D222 VanDerWaalsContact O-N 3.09Å; D222-P224 WeakPolarHBondContact O-CD 3.44Å
223	L	98.1	Very high	96.1	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	23%	0.225	C	C	.	.			trans	-113.3	88.6	180	-62.5	178.1	0	0	0	110.6	Q194 H198 I205 I219 W220 H225 L226	Q194-L223 HydrophobicContact CG-CD2 4.23Å; H198-L223 HydrophobicContact CB-CD2 3.97Å; I205-L223 HydrophobicContact CD1-CD1 4.01Å; I219-L223 HydrophobicContact CD1-CD1 4.05Å; I219-L223 HydrophobicContact CG1-CD1 4.17Å; W220-L223 WeakPolarHBondContact O-CB 3.03Å; W220-L223 PolarHBondContact O-N 2.89Å; L223-H225 VanDerWaalsContact C-N 3.25Å; L223-H225 PolarHBondContact O-N 3.35Å; L223-L226 HydrophobicContact CB-CB 3.75Å; L223-L226 HydrophobicContact CB-CD2 4.28Å; L223-L226 HydrophobicContact CD1-CB 4.5Å; L223-L226 HydrophobicContact CD1-CD2 3.72Å; L223-L226 PolarHBondContact O-N 3.4Å
224	P	97.6	Very high	95.3	Very high	98 Å²	98	52.5 Å²	52.5	64%	0.636	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.9	-170.1	26	-35.2	0	0	0	114.4	D222	D222-P224 WeakPolarHBondContact O-CD 3.44Å
225	H	98.1	Very high	94.6	Very high	72 Å²	72	52.3 Å²	52.3	33%	0.333	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.8	-179.8	-64.6	-73.2	0	0	0	113.6	R201 A202 N203 L223 K227	R201-H225 HydrophobicContact CB-CB 4.26Å; A202-H225 CarbonylContact O-C 3.6Å; A202-H225 VanDerWaalsContact O-C 3.3Å; N203-H225 WeakPolarHBondContact CA-O 3.19Å; N203-H225 PolarHBondContact ND2-O 3.1Å; L223-H225 VanDerWaalsContact C-N 3.25Å; L223-H225 PolarHBondContact O-N 3.35Å; H225-K227 PolarHBondContact O-N 3.39Å
226	L	98.7	Very high	94.1	Very high	15 Å²	15	51.8 Å²	51.8	8%	0.079	26%	0.256	C	S	.	.			trans	-74.6	118.2	-173.8	-178.4	60.6	0	0	0	111.1	A202 I205 I216 W220 L223 A228 V229	A202-L226 WeakPolarHBondContact O-CA 3.2Å; A202-L226 PolarHBondContact O-N 3.15Å; I205-L226 HydrophobicContact CB-CD1 4.35Å; I205-L226 HydrophobicContact CD1-CD1 3.88Å; I205-L226 HydrophobicContact CD1-CD2 3.93Å; I205-L226 HydrophobicContact CG1-CD1 3.68Å; I216-L226 HydrophobicContact CG2-CD2 4.1Å; W220-L226 HydrophobicContact CB-CD2 4.49Å; W220-L226 HydrophobicContact CD2-CD2 3.52Å; W220-L226 HydrophobicContact CD2-CG 4.23Å; W220-L226 HydrophobicContact CE3-CD2 3.94Å; W220-L226 HydrophobicContact CG-CD2 3.8Å; W220-L226 HydrophobicContact CZ2-CD2 4.13Å; W220-L226 HydrophobicContact CZ2-CG 3.99Å; W220-L226 HydrophobicContact CZ3-CD2 4.46Å; L223-L226 HydrophobicContact CB-CB 3.75Å; L223-L226 HydrophobicContact CB-CD2 4.28Å; L223-L226 HydrophobicContact CD1-CB 4.5Å; L223-L226 HydrophobicContact CD1-CD2 3.72Å; L223-L226 PolarHBondContact O-N 3.4Å; L226-A228 VanDerWaalsContact CD1-O 3.32Å; L226-A228 WeakPolarHBondContact CD1-O 3.3Å; L226-V229 HydrophobicContact CD2-CG2 4.4Å
227	K	98.5	Very high	93.4	Very high	71 Å²	71	57.2 Å²	57.2	31%	0.309	29%	0.292	S	S	.	.			trans	-102.5	-37.3	-177.8	-59.9	177.9	-174.6	178.3	0	112.2	G150 E152 N203 H225 N242	G150-K227 VanDerWaalsContact O-CD 3.32Å; G150-K227 WeakPolarHBondContact O-CD 3.38Å; G150-K227 WeakPolarHBondContact O-CE 3.44Å; G150-K227 PolarHBondContact O-NZ 2.96Å; E152-K227 IonicContact OE1-NZ 2.66Å; E152-K227 PolarHBondContact OE1-NZ 2.72Å; N203-K227 HydrophobicContact CB-CD 4.36Å; N203-K227 WeakPolarHBondContact O-CB 3.42Å; N203-K227 PolarHBondContact O-N 2.87Å; H225-K227 PolarHBondContact O-N 3.39Å; K227-N242 WeakPolarHBondContact O-CB 3.49Å
228	A	98.5	Very high	93	Very high	2 Å²	2	62.5 Å²	62.5	2%	0.017	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158	-176.6	0	0	0	0	0	113.2	L149 N203 V204 I205 L226 N242 Y244	L149-A228 HydrophobicContact CB-CB 4.24Å; L149-A228 HydrophobicContact CD1-CB 3.8Å; L149-A228 HydrophobicContact CD2-CB 4.22Å; L149-A228 HydrophobicContact CG-CB 4.32Å; N203-A228 PolarHBondContact O-N 3.48Å; V204-A228 WeakPolarHBondContact CA-O 3.29Å; I205-A228 PolarHBondContact N-O 3.34Å; I205-A228 VanDerWaalsContact N-O 3.12Å; L226-A228 VanDerWaalsContact CD1-O 3.32Å; L226-A228 WeakPolarHBondContact CD1-O 3.3Å; A228-N242 VanDerWaalsContact CA-O 3.29Å; A228-N242 WeakPolarHBondContact CA-O 3.41Å; A228-Y244 HydrophobicContact CB-CD2 4.15Å; A228-Y244 HydrophobicContact CB-CE2 4.02Å
229	V	98.3	Very high	92.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.8	167	171.4	0	0	0	0	109	I205 V207 L213 I216 W220 L226 N242 V243 Y244	I205-V229 HydrophobicContact CB-CG2 4.21Å; I205-V229 CarbonylContact O-C 3.47Å; I205-V229 WeakPolarHBondContact O-CA 3.35Å; I205-V229 WeakPolarHBondContact O-CG1 3.21Å; V207-V229 HydrophobicContact CG1-CG1 4.37Å; V207-V229 HydrophobicContact CG2-CG1 3.81Å; L213-V229 HydrophobicContact CD1-CB 4.32Å; L213-V229 HydrophobicContact CD1-CG1 3.59Å; I216-V229 HydrophobicContact CG2-CG2 3.73Å; W220-V229 HydrophobicContact CE3-CG2 3.79Å; W220-V229 HydrophobicContact CH2-CB 3.91Å; W220-V229 HydrophobicContact CH2-CG2 3.52Å; W220-V229 HydrophobicContact CZ3-CB 3.65Å; W220-V229 HydrophobicContact CZ3-CG2 3.08Å; L226-V229 HydrophobicContact CD2-CG2 4.4Å; V229-N242 PolarHBondContact N-O 3.29Å; V229-V243 CarbonylContact O-C 3.52Å; V229-V243 VanDerWaalsContact O-CA 3.31Å; V229-V243 WeakPolarHBondContact O-CA 3.22Å; V229-Y244 PolarHBondContact O-N 2.98Å
230	V	98.3	Very high	92.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.5	175.6	-177.3	0	0	0	0	108.5	F146 L149 V204 I205 V206 V207 Y244 M246 L249	F146-V230 HydrophobicContact CE1-CG2 4.48Å; L149-V230 HydrophobicContact CD1-CG2 3.83Å; V204-V230 HydrophobicContact CG1-CG2 3.85Å; I205-V230 PolarHBondContact O-N 3.39Å; V206-V230 CarbonylContact C-O 3.54Å; V206-V230 WeakPolarHBondContact CA-O 3.43Å; V206-V230 HydrophobicContact CG2-CB 4.26Å; V207-V230 PolarHBondContact N-O 2.9Å; V230-Y244 CarbonylContact C-O 3.54Å; V230-Y244 WeakPolarHBondContact CA-O 3.42Å; V230-M246 HydrophobicContact CG1-CE 4.14Å; V230-L249 HydrophobicContact CG1-CB 4.23Å; V230-L249 HydrophobicContact CG1-CD2 4.13Å; V230-L249 HydrophobicContact CG2-CD1 4.12Å; V230-L249 HydrophobicContact CG2-CD2 4.21Å
231	I	97.3	Very high	92.6	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.4	175.5	-173.6	165.2	0	0	0	110.7	V207 L213 E234 Y244 T245 M246	V207-I231 HydrophobicContact CG2-CB 3.91Å; V207-I231 HydrophobicContact CG2-CD1 4.42Å; V207-I231 HydrophobicContact CG2-CG1 4.05Å; V207-I231 CarbonylContact O-C 3.57Å; V207-I231 VanDerWaalsContact O-CA 3.25Å; V207-I231 WeakPolarHBondContact O-CA 3.32Å; L213-I231 HydrophobicContact CB-CD1 4.4Å; L213-I231 HydrophobicContact CD2-CD1 4.29Å; I231-E234 WeakPolarHBondContact CD1-O 3.45Å; I231-E234 WeakPolarHBondContact CG1-O 3.23Å; I231-Y244 PolarHBondContact N-O 3.33Å; I231-T245 HydrophobicContact CG2-CG2 4.45Å; I231-T245 CarbonylContact O-C 3.5Å; I231-T245 VanDerWaalsContact O-CA 3.31Å; I231-T245 WeakPolarHBondContact O-CA 3.3Å; I231-M246 PolarHBondContact O-N 2.92Å
232	Y	92.8	Very high	92.6	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.016	33%	0.333	C	S	.	.			trans	-115.1	170.6	169.5	64.9	-82.9	0	0	0	110.7	G161 F162 S164 E166 V206 V207 D208 E234	G161-Y232 WeakPolarHBondContact CA-OH 3.5Å; F162-Y232 PolarHBondContact O-OH 3.3Å; S164-Y232 WeakPolarHBondContact OG-CE2 3.35Å; E166-Y232 HydrophobicContact CB-CD1 4.32Å; E166-Y232 HydrophobicContact CB-CD2 3.69Å; E166-Y232 HydrophobicContact CB-CE2 4.28Å; E166-Y232 HydrophobicContact CB-CG 3.72Å; E166-Y232 HydrophobicContact CG-CD2 4.09Å; E166-Y232 HydrophobicContact CG-CG 4.18Å; V206-Y232 HydrophobicContact CG1-CD1 3.66Å; V206-Y232 HydrophobicContact CG1-CE1 3.85Å; V207-Y232 VanDerWaalsContact C-CE1 3.47Å; V207-Y232 WeakPolarHBondContact O-CD1 3.33Å; V207-Y232 WeakPolarHBondContact O-CE1 3.36Å; V207-Y232 PolarHBondContact O-N 2.96Å; D208-Y232 CarbonylContact C-O 3.56Å; D208-Y232 VanDerWaalsContact C-O 3.3Å; D208-Y232 HydrophobicContact CB-CD1 4.44Å; D208-Y232 HydrophobicContact CB-CD2 4.27Å; D208-Y232 HydrophobicContact CB-CE1 3.83Å; D208-Y232 HydrophobicContact CB-CE2 3.6Å; Y232-E234 VanDerWaalsContact C-N 3.33Å; Y232-E234 PolarHBondContact O-N 3.43Å
233	Q	83.6	Confident	92.7	Very high	86 Å²	86	58.7 Å²	58.7	40%	0.402	32%	0.316	S	S	.	.	S	Bend	trans	68.4	-65	-172.8	-45.2	-170.6	-7.2	0	0	116.2	D208	D208-Q233 WeakPolarHBondContact O-CB 3.47Å
234	E	79.5	Confident	92.6	Very high	113 Å²	113	60.9 Å²	60.9	53%	0.528	32%	0.324	S	S	.	.	S	Bend	trans	-120	122.3	-174	-68.3	-178.5	178.6	0	0	111.4	I231 Y232	I231-E234 WeakPolarHBondContact CD1-O 3.45Å; I231-E234 WeakPolarHBondContact CG1-O 3.23Å; Y232-E234 VanDerWaalsContact C-N 3.33Å; Y232-E234 PolarHBondContact O-N 3.43Å
235	P	80.1	Confident	92.6	Very high	88 Å²	88	57.1 Å²	57.1	57%	0.571	30%	0.3	S	S	*	.			trans	-66.2	146.6	173.1	28.5	-33.2	0	0	0	110.2	T245	P235-T245 HydrophobicContact CB-CG2 4.19Å
236	P	82.7	Confident	92.5	Very high	21 Å²	21	53.7 Å²	53.7	14%	0.136	28%	0.284	C	S	.	.			trans	-66.7	146.6	178.6	29.5	-31.6	0	0	0	109.4	L213 K238	L213-P236 HydrophobicContact CD2-CB 4.17Å; P236-K238 PolarHBondContact O-N 2.84Å
237	P	83	Confident	92.4	Very high	114 Å²	114	55.9 Å²	55.9	74%	0.74	29%	0.294	S	S	*	.	S	Bend	trans	-63.2	-19.9	-176.6	24.1	-33.6	0	0	0	113.4
238	K	87.7	Confident	92.3	Very high	168 Å²	168	55.3 Å²	55.3	73%	0.73	29%	0.292	S	S	*	.	S	Bend	trans	-135.9	137.6	173.2	-67.2	-179	179.9	178	0	108.7	P236 M240	P236-K238 PolarHBondContact O-N 2.84Å; K238-M240 PolarHBondContact O-N 2.91Å
239	K	91.5	Very high	92.2	Very high	121 Å²	121	55.2 Å²	55.2	53%	0.526	29%	0.291	S	S	.	.			trans	-62.7	130.1	171.3	-174.2	63	175.3	173.7	0	109.4	V243 E248	K239-V243 PolarHBondContact NZ-O 3.2Å; K239-E248 WeakPolarHBondContact CE-OE1 3.21Å; K239-E248 IonicContact NZ-OE1 3.59Å; K239-E248 PolarHBondContact NZ-OE1 2.91Å; K239-E248 IonicContact NZ-OE2 2.65Å; K239-E248 PolarHBondContact NZ-OE2 3.4Å
240	M	93.4	Very high	92.2	Very high	73 Å²	73	56.5 Å²	56.5	36%	0.36	30%	0.298	S	S	.	.			trans	-118.3	150	178.1	-59.3	177.5	66.9	0	0	109.3	L217 K238 V243	L217-M240 HydrophobicContact CD1-CE 3.67Å; L217-M240 HydrophobicContact CD1-SD 3.96Å; L217-M240 HydrophobicContact CD2-CE 3.57Å; L217-M240 HydrophobicContact CD2-SD 4.49Å; L217-M240 HydrophobicContact CG-CE 4.29Å; K238-M240 PolarHBondContact O-N 2.91Å; M240-V243 HydrophobicContact CB-CB 4Å; M240-V243 HydrophobicContact CB-CG2 3.82Å; M240-V243 PolarHBondContact O-N 3.48Å
241	A	93.9	Very high	92.1	Very high	90 Å²	90	62.6 Å²	62.6	74%	0.744	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	139.5	173.5	0	0	0	0	0	110.2	V243	A241-V243 PolarHBondContact O-N 3.13Å
242	N	97	Very high	92.1	Very high	82 Å²	82	64.2 Å²	64.2	44%	0.439	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	11.8	-179.6	-54.6	-25.2	0	0	0	115.7	W220 K227 A228 V229	W220-N242 HydrophobicContact CH2-CB 4.15Å; W220-N242 HydrophobicContact CZ2-CB 4.12Å; K227-N242 WeakPolarHBondContact O-CB 3.49Å; A228-N242 VanDerWaalsContact CA-O 3.29Å; A228-N242 WeakPolarHBondContact CA-O 3.41Å; V229-N242 PolarHBondContact N-O 3.29Å
243	V	97.7	Very high	92.2	Very high	2 Å²	2	64 Å²	64	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123	171.7	-176.8	0	0	0	0	108.7	L213 W220 V229 K239 M240 A241	L213-V243 HydrophobicContact CD1-CG1 4.15Å; L213-V243 HydrophobicContact CD1-CG2 4.36Å; L213-V243 HydrophobicContact CD2-CG1 4.11Å; W220-V243 HydrophobicContact CH2-CG2 4.45Å; W220-V243 HydrophobicContact CZ3-CG2 4.17Å; V229-V243 CarbonylContact O-C 3.52Å; V229-V243 VanDerWaalsContact O-CA 3.31Å; V229-V243 WeakPolarHBondContact O-CA 3.22Å; K239-V243 PolarHBondContact NZ-O 3.2Å; M240-V243 HydrophobicContact CB-CB 4Å; M240-V243 HydrophobicContact CB-CG2 3.82Å; M240-V243 PolarHBondContact O-N 3.48Å; A241-V243 PolarHBondContact O-N 3.13Å
244	Y	97.4	Very high	92.8	Very high	56 Å²	56	66.6 Å²	66.6	22%	0.22	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.3	-174.6	-58	-88.3	0	0	0	111	L149 A228 V229 V230 I231 E248 L252	L149-Y244 HydrophobicContact CD1-CD2 4.12Å; L149-Y244 HydrophobicContact CD1-CE2 4.49Å; L149-Y244 HydrophobicContact CD2-CD2 3.81Å; L149-Y244 HydrophobicContact CD2-CE1 4.43Å; L149-Y244 HydrophobicContact CD2-CE2 3.43Å; L149-Y244 VanDerWaalsContact CD2-CE2 3.43Å; L149-Y244 HydrophobicContact CD2-CG 4.44Å; A228-Y244 HydrophobicContact CB-CD2 4.15Å; A228-Y244 HydrophobicContact CB-CE2 4.02Å; V229-Y244 PolarHBondContact O-N 2.98Å; V230-Y244 CarbonylContact C-O 3.54Å; V230-Y244 WeakPolarHBondContact CA-O 3.42Å; I231-Y244 PolarHBondContact N-O 3.33Å; Y244-E248 WeakPolarHBondContact CA-OE2 3.05Å; Y244-E248 HydrophobicContact CD1-CB 4.32Å; Y244-L252 HydrophobicContact CD1-CD1 3.57Å; Y244-L252 HydrophobicContact CE1-CD1 3.54Å; Y244-L252 HydrophobicContact CG-CD1 4.28Å
245	T	96.8	Very high	93.5	Very high	20 Å²	20	67.1 Å²	67.1	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	165.5	163.7	78.1	0	0	0	0	110.5	I231 P235 E247 E248 L249	I231-T245 HydrophobicContact CG2-CG2 4.45Å; I231-T245 CarbonylContact O-C 3.5Å; I231-T245 VanDerWaalsContact O-CA 3.31Å; I231-T245 WeakPolarHBondContact O-CA 3.3Å; P235-T245 HydrophobicContact CB-CG2 4.19Å; T245-E247 VanDerWaalsContact CB-OE2 3.3Å; T245-E247 WeakPolarHBondContact CB-OE2 3.45Å; T245-E247 PolarHBondContact O-N 3.27Å; T245-E247 PolarHBondContact OG1-N 2.81Å; T245-E247 PolarHBondContact OG1-OE2 3.15Å; T245-E248 PolarHBondContact N-OE2 3.15Å; T245-E248 PolarHBondContact O-N 3.36Å; T245-E248 PolarHBondContact OG1-N 3.47Å; T245-L249 PolarHBondContact O-N 3.39Å
246	M	96.3	Very high	94.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-59.4	-34.9	173.8	-174.7	60.6	62.1	0	0	112.3	L43 V142 E166 V206 V230 I231 L249 I250	L43-M246 HydrophobicContact CD1-CG 4.1Å; L43-M246 HydrophobicContact CD2-CG 3.98Å; V142-M246 HydrophobicContact CG2-SD 3.92Å; E166-M246 HydrophobicContact CB-CE 3.93Å; E166-M246 HydrophobicContact CG-CE 4.43Å; E166-M246 HydrophobicContact CG-CG 4.16Å; V206-M246 HydrophobicContact CG1-CE 4.24Å; V230-M246 HydrophobicContact CG1-CE 4.14Å; I231-M246 PolarHBondContact O-N 2.92Å; M246-L249 WeakPolarHBondContact O-CB 3.47Å; M246-L249 PolarHBondContact O-N 3.49Å; M246-L249 HydrophobicContact SD-CD2 3.91Å; M246-I250 HydrophobicContact CG-CD1 4.26Å; M246-I250 WeakPolarHBondContact O-CG1 3.47Å; M246-I250 PolarHBondContact O-N 2.87Å; M246-I250 VanDerWaalsContact O-N 3.1Å
247	E	95.1	Very high	95.1	Very high	61 Å²	61	66.3 Å²	66.3	29%	0.285	34%	0.343	S	S	.	.	H	α-helix	trans	-65.8	-46.8	175.6	-61.4	73	-161.2	0	0	111.3	S41 L43 T245 L249 I250 E251	S41-E247 WeakPolarHBondContact CA-OE1 3.24Å; S41-E247 WeakPolarHBondContact CB-OE1 3.47Å; S41-E247 PolarHBondContact OG-OE1 2.77Å; L43-E247 HydrophobicContact CD2-CG 4.1Å; L43-E247 HydrophobicContact CG-CG 4.41Å; T245-E247 VanDerWaalsContact CB-OE2 3.3Å; T245-E247 WeakPolarHBondContact CB-OE2 3.45Å; T245-E247 PolarHBondContact O-N 3.27Å; T245-E247 PolarHBondContact OG1-N 2.81Å; T245-E247 PolarHBondContact OG1-OE2 3.15Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 2.87Å; E247-I250 PolarHBondContact O-N 3.15Å; E247-E251 PolarHBondContact O-N 2.96Å
248	E	96.4	Very high	95.7	Very high	59 Å²	59	63.4 Å²	63.4	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-37.2	176.3	-68.1	174.4	142.3	0	0	111.4	K239 Y244 T245 E251 L252	K239-E248 WeakPolarHBondContact CE-OE1 3.21Å; K239-E248 IonicContact NZ-OE1 3.59Å; K239-E248 PolarHBondContact NZ-OE1 2.91Å; K239-E248 IonicContact NZ-OE2 2.65Å; K239-E248 PolarHBondContact NZ-OE2 3.4Å; Y244-E248 WeakPolarHBondContact CA-OE2 3.05Å; Y244-E248 HydrophobicContact CD1-CB 4.32Å; T245-E248 PolarHBondContact N-OE2 3.15Å; T245-E248 PolarHBondContact O-N 3.36Å; T245-E248 PolarHBondContact OG1-N 3.47Å; E248-E251 PolarHBondContact O-N 3.36Å; E248-L252 WeakPolarHBondContact O-CB 3.03Å; E248-L252 WeakPolarHBondContact O-CG 3.25Å; E248-L252 PolarHBondContact O-N 2.98Å
249	L	98.1	Very high	96.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.8	-46.5	174.1	177.9	71.9	0	0	0	111.6	V142 G145 F146 L149 V230 T245 M246 E247 E251 L252 G253	V142-L249 HydrophobicContact CG1-CD2 4.03Å; V142-L249 HydrophobicContact CG2-CD2 4.48Å; G145-L249 WeakPolarHBondContact CA-O 3.32Å; F146-L249 HydrophobicContact CD1-CD1 3.96Å; F146-L249 HydrophobicContact CD1-CD2 4Å; F146-L249 HydrophobicContact CE1-CD1 4.26Å; F146-L249 HydrophobicContact CE1-CD2 3.55Å; F146-L249 HydrophobicContact CZ-CD2 4.03Å; L149-L249 HydrophobicContact CD1-CD1 3.39Å; L149-L249 HydrophobicContact CG-CD1 3.99Å; V230-L249 HydrophobicContact CG1-CB 4.23Å; V230-L249 HydrophobicContact CG1-CD2 4.13Å; V230-L249 HydrophobicContact CG2-CD1 4.12Å; V230-L249 HydrophobicContact CG2-CD2 4.21Å; T245-L249 PolarHBondContact O-N 3.39Å; M246-L249 WeakPolarHBondContact O-CB 3.47Å; M246-L249 PolarHBondContact O-N 3.49Å; M246-L249 HydrophobicContact SD-CD2 3.91Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 2.87Å; L249-E251 VanDerWaalsContact C-N 3.35Å; L249-L252 PolarHBondContact O-N 3.28Å; L249-G253 PolarHBondContact O-N 2.77Å
250	I	97.1	Very high	96.5	Very high	26 Å²	26	57.6 Å²	57.6	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-66.5	-38.9	-180	-75.8	164.8	0	0	0	111	L43 I138 K141 V142 M246 E247 G253	L43-I250 HydrophobicContact CD2-CD1 3.32Å; I138-I250 HydrophobicContact CG2-CD1 4.35Å; K141-I250 HydrophobicContact CB-CG1 4.37Å; K141-I250 HydrophobicContact CB-CG2 4.11Å; K141-I250 HydrophobicContact CD-CG2 4.23Å; V142-I250 HydrophobicContact CG2-CD1 4.17Å; V142-I250 HydrophobicContact CG2-CG1 3.88Å; M246-I250 HydrophobicContact CG-CD1 4.26Å; M246-I250 WeakPolarHBondContact O-CG1 3.47Å; M246-I250 PolarHBondContact O-N 2.87Å; M246-I250 VanDerWaalsContact O-N 3.1Å; E247-I250 PolarHBondContact O-N 3.15Å; I250-G253 PolarHBondContact O-N 3.23Å
251	E	97.1	Very high	96.8	Very high	128 Å²	128	54.1 Å²	54.1	60%	0.598	29%	0.287	S	S	*	.	H	α-helix	trans	-64.6	-48.1	175.1	-172.5	173.3	-165.2	0	0	111.4	E247 E248 L249 G253 Q254	E247-E251 PolarHBondContact O-N 2.96Å; E248-E251 PolarHBondContact O-N 3.36Å; L249-E251 VanDerWaalsContact C-N 3.35Å; E251-G253 PolarHBondContact O-N 2.63Å; E251-Q254 VanDerWaalsContact O-CB 3.25Å; E251-Q254 WeakPolarHBondContact O-CB 3.12Å; E251-Q254 WeakPolarHBondContact O-CG 3.34Å; E251-Q254 PolarHBondContact O-N 2.89Å
252	L	96	Very high	97	Very high	36 Å²	36	52 Å²	52	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-33.9	174.6	-75.9	169.9	0	0	0	112.7	K148 L149 Y244 E248 L249 Q254 E255	K148-L252 HydrophobicContact CG-CB 4.12Å; L149-L252 HydrophobicContact CD2-CD1 3.96Å; Y244-L252 HydrophobicContact CD1-CD1 3.57Å; Y244-L252 HydrophobicContact CE1-CD1 3.54Å; Y244-L252 HydrophobicContact CG-CD1 4.28Å; E248-L252 WeakPolarHBondContact O-CB 3.03Å; E248-L252 WeakPolarHBondContact O-CG 3.25Å; E248-L252 PolarHBondContact O-N 2.98Å; L249-L252 PolarHBondContact O-N 3.28Å; L252-Q254 PolarHBondContact O-N 3.4Å; L252-E255 WeakPolarHBondContact O-CB 3.28Å; L252-E255 PolarHBondContact O-N 2.94Å
253	G	96	Very high	97	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-23.7	175.6	0	0	0	0	0	113.6	K144 L249 I250 E251 E255 V256	K144-G253 WeakPolarHBondContact CB-O 3.45Å; K144-G253 WeakPolarHBondContact CE-O 3.27Å; K144-G253 PolarHBondContact NZ-O 2.77Å; L249-G253 PolarHBondContact O-N 2.77Å; I250-G253 PolarHBondContact O-N 3.23Å; E251-G253 PolarHBondContact O-N 2.63Å; G253-E255 PolarHBondContact O-N 3.47Å; G253-V256 PolarHBondContact O-N 3.19Å; G253-V256 VanDerWaalsContact O-N 3.13Å
254	Q	95.1	Very high	97.1	Very high	140 Å²	140	52.5 Å²	52.5	65%	0.654	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.5	177.6	-60.6	-179.1	10.5	0	0	112.8	E251 L252 V256	E251-Q254 VanDerWaalsContact O-CB 3.25Å; E251-Q254 WeakPolarHBondContact O-CB 3.12Å; E251-Q254 WeakPolarHBondContact O-CG 3.34Å; E251-Q254 PolarHBondContact O-N 2.89Å; L252-Q254 PolarHBondContact O-N 3.4Å; Q254-V256 PolarHBondContact O-N 3.1Å
255	E	95.4	Very high	97.1	Very high	123 Å²	123	50.1 Å²	50.1	58%	0.575	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.6	176.4	-63	-176.3	-144.9	0	0	113.5	K148 L252 G253	K148-E255 WeakPolarHBondContact CE-OE2 3.36Å; K148-E255 IonicContact NZ-OE2 3.72Å; K148-E255 PolarHBondContact NZ-OE2 3.13Å; L252-E255 WeakPolarHBondContact O-CB 3.28Å; L252-E255 PolarHBondContact O-N 2.94Å; G253-E255 PolarHBondContact O-N 3.47Å
256	V	97.8	Very high	97.2	Very high	18 Å²	18	55.3 Å²	55.3	11%	0.109	29%	0.291	C	S	.	.	S	Bend	trans	-96.7	124.3	176.1	-178.4	0	0	0	0	108.7	K144 L147 K148 G253 Q254 A260	K144-V256 HydrophobicContact CB-CB 4.03Å; K144-V256 HydrophobicContact CB-CG1 4.41Å; K144-V256 HydrophobicContact CD-CB 4.3Å; K144-V256 HydrophobicContact CD-CG1 4.45Å; K144-V256 WeakPolarHBondContact CD-O 3.42Å; K144-V256 HydrophobicContact CG-CB 4.34Å; K144-V256 HydrophobicContact CG-CG1 4.34Å; K144-V256 PolarHBondContact NZ-O 3.37Å; L147-V256 HydrophobicContact CD1-CG1 4.35Å; K148-V256 HydrophobicContact CB-CG2 3.92Å; G253-V256 PolarHBondContact O-N 3.19Å; G253-V256 VanDerWaalsContact O-N 3.13Å; Q254-V256 PolarHBondContact O-N 3.1Å; V256-A260 HydrophobicContact CG1-CB 4.07Å
257	P	97.5	Very high	97.2	Very high	75 Å²	75	59.2 Å²	59.2	49%	0.487	32%	0.315	S	S	.	.			trans	-60.6	149.9	174.6	-23.3	33.9	0	0	0	112.4	E259 A260	P257-E259 VanDerWaalsContact C-N 3.28Å; P257-E259 WeakPolarHBondContact CB-OE2 3.39Å; P257-E259 PolarHBondContact O-N 2.86Å; P257-A260 HydrophobicContact CB-CB 4.47Å; P257-A260 WeakPolarHBondContact O-CB 3.25Å; P257-A260 PolarHBondContact O-N 3.46Å
258	E	97.1	Very high	97.4	Very high	53 Å²	53	56.9 Å²	56.9	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-39.2	177	-67.5	-62.7	133.8	0	0	111.1	R140 K144 A260 L261 D262	R140-E258 IonicContact CZ-OE2 3.79Å; R140-E258 VanDerWaalsContact CZ-OE2 3.29Å; R140-E258 IonicContact NE-OE2 2.91Å; R140-E258 PolarHBondContact NE-OE2 3.08Å; R140-E258 IonicContact NH2-OE2 3.64Å; R140-E258 PolarHBondContact NH2-OE2 2.93Å; K144-E258 WeakPolarHBondContact CD-OE1 3.1Å; K144-E258 WeakPolarHBondContact CE-OE1 3.48Å; K144-E258 IonicContact NZ-OE1 2.63Å; K144-E258 PolarHBondContact NZ-OE1 3.31Å; E258-A260 PolarHBondContact O-N 2.82Å; E258-L261 WeakPolarHBondContact O-CA 3.4Å; E258-L261 WeakPolarHBondContact O-CB 3.33Å; E258-L261 PolarHBondContact O-N 3.31Å; E258-D262 PolarHBondContact O-N 2.75Å
259	E	97.8	Very high	97.4	Very high	126 Å²	126	57.4 Å²	57.4	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-62.9	-28.9	-178.8	-58.3	74.5	-163.5	0	0	112.1	P257 A263	P257-E259 VanDerWaalsContact C-N 3.28Å; P257-E259 WeakPolarHBondContact CB-OE2 3.39Å; P257-E259 PolarHBondContact O-N 2.86Å; E259-A263 WeakPolarHBondContact O-CB 3.42Å; E259-A263 PolarHBondContact O-N 3.26Å
260	A	97.8	Very high	97.4	Very high	41 Å²	41	58.2 Å²	58.2	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-70.3	-37.5	175.5	0	0	0	0	0	111.6	V256 P257 E258 I264	V256-A260 HydrophobicContact CG1-CB 4.07Å; P257-A260 HydrophobicContact CB-CB 4.47Å; P257-A260 WeakPolarHBondContact O-CB 3.25Å; P257-A260 PolarHBondContact O-N 3.46Å; E258-A260 PolarHBondContact O-N 2.82Å; A260-I264 WeakPolarHBondContact O-CG1 3.4Å; A260-I264 PolarHBondContact O-N 3.3Å
261	L	98.4	Very high	97.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70	-43.8	173.1	176.5	62.6	0	0	0	110.8	R140 A143 K144 L147 F176 E258 A263 I264 I265	R140-L261 HydrophobicContact CB-CD2 4.04Å; R140-L261 HydrophobicContact CG-CD2 4.16Å; A143-L261 HydrophobicContact CB-CD1 3.78Å; A143-L261 HydrophobicContact CB-CD2 4.05Å; K144-L261 HydrophobicContact CG-CB 4.16Å; K144-L261 HydrophobicContact CG-CD2 3.9Å; L147-L261 HydrophobicContact CD1-CD1 4.08Å; F176-L261 HydrophobicContact CB-CD1 4.42Å; E258-L261 WeakPolarHBondContact O-CA 3.4Å; E258-L261 WeakPolarHBondContact O-CB 3.33Å; E258-L261 PolarHBondContact O-N 3.31Å; L261-A263 PolarHBondContact O-N 2.86Å; L261-I264 WeakPolarHBondContact O-CB 3.42Å; L261-I264 PolarHBondContact O-N 3Å; L261-I265 HydrophobicContact CD1-CD1 4.14Å; L261-I265 HydrophobicContact CD1-CG1 4.32Å; L261-I265 HydrophobicContact CD2-CD1 4.31Å; L261-I265 HydrophobicContact CG-CD1 3.79Å; L261-I265 HydrophobicContact CG-CG1 4.4Å; L261-I265 WeakPolarHBondContact O-CG1 3.48Å; L261-I265 PolarHBondContact O-N 3.45Å
262	D	98.4	Very high	97.5	Very high	44 Å²	44	53.5 Å²	53.5	24%	0.235	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-41.9	-178.8	-64.8	-30.8	0	0	0	111.5	R140 E258 I264 I265 D266	R140-D262 IonicContact CZ-OD1 2.86Å; R140-D262 VanDerWaalsContact CZ-OD1 3.25Å; R140-D262 IonicContact NH1-OD1 3.94Å; R140-D262 PolarHBondContact NH1-OD1 3.36Å; R140-D262 IonicContact NH2-OD1 2.63Å; R140-D262 PolarHBondContact NH2-OD1 2.94Å; R140-D262 IonicContact NH2-OD2 2.78Å; R140-D262 PolarHBondContact NH2-OD2 3.27Å; E258-D262 PolarHBondContact O-N 2.75Å; D262-I264 PolarHBondContact O-N 2.96Å; D262-I265 WeakPolarHBondContact O-CB 3.24Å; D262-I265 PolarHBondContact O-N 3.11Å; D262-I265 VanDerWaalsContact O-N 3.1Å; D262-D266 WeakPolarHBondContact O-CB 3.2Å; D262-D266 VanDerWaalsContact O-CG 3.32Å; D262-D266 PolarHBondContact O-N 3.4Å
263	A	98.4	Very high	97.7	Very high	56 Å²	56	52.5 Å²	52.5	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-35.2	172.7	0	0	0	0	0	112.8	E259 L261 T267	E259-A263 WeakPolarHBondContact O-CB 3.42Å; E259-A263 PolarHBondContact O-N 3.26Å; L261-A263 PolarHBondContact O-N 2.86Å; A263-T267 VanDerWaalsContact O-CG2 3.23Å; A263-T267 WeakPolarHBondContact O-CG2 3.47Å; A263-T267 PolarHBondContact O-N 2.76Å
264	I	98.1	Very high	97.8	Very high	39 Å²	39	52.4 Å²	52.4	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-73.3	-41.1	176.7	-70.6	172.7	0	0	0	111	L147 R153 A177 A260 L261 D262 T267 Q268	L147-I264 HydrophobicContact CD1-CD1 3.61Å; L147-I264 HydrophobicContact CD2-CD1 3.56Å; L147-I264 HydrophobicContact CG-CD1 4.24Å; R153-I264 PolarHBondContact NH1-O 2.77Å; R153-I264 VanDerWaalsContact NH1-O 3.12Å; A177-I264 WeakPolarHBondContact O-CG2 3.42Å; A260-I264 WeakPolarHBondContact O-CG1 3.4Å; A260-I264 PolarHBondContact O-N 3.3Å; L261-I264 WeakPolarHBondContact O-CB 3.42Å; L261-I264 PolarHBondContact O-N 3Å; D262-I264 PolarHBondContact O-N 2.96Å; I264-T267 PolarHBondContact O-N 2.81Å; I264-T267 PolarHBondContact O-OG1 2.87Å; I264-Q268 WeakPolarHBondContact O-CG 3.48Å
265	I	98.5	Very high	98	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-46.4	176	-72	167.5	0	0	0	110.6	H103 F176 L261 D262 T267 Q268	H103-I265 HydrophobicContact CB-CG2 3.89Å; H103-I265 VanDerWaalsContact CG-CG2 3.41Å; H103-I265 WeakPolarHBondContact ND1-CG2 3.22Å; F176-I265 HydrophobicContact CB-CD1 4.36Å; F176-I265 HydrophobicContact CB-CG1 4.49Å; F176-I265 WeakPolarHBondContact O-CG1 3.31Å; L261-I265 HydrophobicContact CD1-CD1 4.14Å; L261-I265 HydrophobicContact CD1-CG1 4.32Å; L261-I265 HydrophobicContact CD2-CD1 4.31Å; L261-I265 HydrophobicContact CG-CD1 3.79Å; L261-I265 HydrophobicContact CG-CG1 4.4Å; L261-I265 WeakPolarHBondContact O-CG1 3.48Å; L261-I265 PolarHBondContact O-N 3.45Å; D262-I265 WeakPolarHBondContact O-CB 3.24Å; D262-I265 PolarHBondContact O-N 3.11Å; D262-I265 VanDerWaalsContact O-N 3.1Å; I265-T267 PolarHBondContact O-N 2.79Å; I265-Q268 WeakPolarHBondContact O-CB 3.48Å; I265-Q268 WeakPolarHBondContact O-CG 3.47Å; I265-Q268 PolarHBondContact O-N 2.78Å
266	D	98.1	Very high	98.1	Very high	129 Å²	129	40 Å²	40	69%	0.69	23%	0.227	S	C	*	.	H	α-helix	trans	-65.1	-22.7	-177.2	-72.3	-19.2	0	0	0	113.4	D262	D262-D266 WeakPolarHBondContact O-CB 3.2Å; D262-D266 VanDerWaalsContact O-CG 3.32Å; D262-D266 PolarHBondContact O-N 3.4Å
267	T	97.3	Very high	98.1	Very high	81 Å²	81	39.2 Å²	39.2	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.1	175.5	64.9	0	0	0	0	113.8	A263 I264 I265	A263-T267 VanDerWaalsContact O-CG2 3.23Å; A263-T267 WeakPolarHBondContact O-CG2 3.47Å; A263-T267 PolarHBondContact O-N 2.76Å; I264-T267 PolarHBondContact O-N 2.81Å; I264-T267 PolarHBondContact O-OG1 2.87Å; I265-T267 PolarHBondContact O-N 2.79Å
268	Q	98.2	Very high	97.7	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.061	20%	0.201	C	C	.	.			trans	-74.4	144.1	-176.5	-55.7	-166.6	49.6	0	0	111.6	T101 V175 F176 I264 I265	T101-Q268 HydrophobicContact CG2-CB 4.3Å; V175-Q268 PolarHBondContact O-NE2 2.79Å; V175-Q268 PolarHBondContact O-OE1 2.66Å; V175-Q268 VanDerWaalsContact O-OE1 3.08Å; F176-Q268 PolarHBondContact O-NE2 2.89Å; F176-Q268 VanDerWaalsContact O-NE2 3.11Å; I264-Q268 WeakPolarHBondContact O-CG 3.48Å; I265-Q268 WeakPolarHBondContact O-CB 3.48Å; I265-Q268 WeakPolarHBondContact O-CG 3.47Å; I265-Q268 PolarHBondContact O-N 2.78Å
269	Q	98	Very high	96.9	Very high	70 Å²	70	35 Å²	35	33%	0.327	20%	0.197	S	C	.	.			trans	-125.5	148.1	-179.1	-63.4	-62.2	-35.9	0	0	111.6	N271 Q272	Q269-N271 VanDerWaalsContact CB-OD1 3.32Å; Q269-N271 WeakPolarHBondContact CB-OD1 3.45Å; Q269-N271 PolarHBondContact O-N 3.13Å; Q269-N271 VanDerWaalsContact O-N 3.1Å; Q269-Q272 HydrophobicContact CB-CG 4.15Å; Q269-Q272 WeakPolarHBondContact O-CB 3.44Å; Q269-Q272 PolarHBondContact O-N 2.77Å; Q269-Q272 VanDerWaalsContact O-N 3.13Å
270	P	98.2	Very high	95.4	Very high	17 Å²	17	32.7 Å²	32.7	11%	0.11	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.5	179.7	-27.9	36.3	0	0	0	114.2	L89 P99 T101 Q272 Q293 D294	L89-P270 HydrophobicContact CD1-CB 4.29Å; P99-P270 HydrophobicContact CB-CB 3.57Å; P99-P270 HydrophobicContact CB-CG 3.82Å; T101-P270 HydrophobicContact CG2-CG 4.32Å; P270-Q272 PolarHBondContact O-N 2.85Å; P270-Q293 WeakPolarHBondContact O-CB 3.15Å; P270-Q293 PolarHBondContact O-N 2.92Å; P270-D294 HydrophobicContact CB-CB 4.06Å; P270-D294 VanDerWaalsContact O-CB 3.22Å; P270-D294 WeakPolarHBondContact O-CB 3.41Å; P270-D294 PolarHBondContact O-N 3.34Å
271	N	97.9	Very high	93.1	Very high	14 Å²	14	31.9 Å²	31.9	8%	0.075	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	12.1	-177.7	64.3	-10.7	0	0	0	115.2	E76 R86 V87 L89 Q269 M524	E76-N271 PolarHBondContact OE1-ND2 3.19Å; E76-N271 PolarHBondContact OE2-ND2 3.18Å; R86-N271 WeakPolarHBondContact CA-O 3.48Å; V87-N271 PolarHBondContact N-O 3.02Å; V87-N271 WeakPolarHBondContact O-CB 3.45Å; L89-N271 HydrophobicContact CD1-CB 4.44Å; L89-N271 HydrophobicContact CD2-CB 3.88Å; L89-N271 HydrophobicContact CG-CB 3.98Å; Q269-N271 VanDerWaalsContact CB-OD1 3.32Å; Q269-N271 WeakPolarHBondContact CB-OD1 3.45Å; Q269-N271 PolarHBondContact O-N 3.13Å; Q269-N271 VanDerWaalsContact O-N 3.1Å; N271-M524 WeakPolarHBondContact O-CE 3.41Å
272	Q	98.4	Very high	90.6	Very high	41 Å²	41	36.4 Å²	36.4	19%	0.192	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-100.3	148.1	177	-70.7	174.4	-31	0	0	111.8	R86 Q269 P270 S292 Q293	R86-Q272 HydrophobicContact CG-CG 3.8Å; Q269-Q272 HydrophobicContact CB-CG 4.15Å; Q269-Q272 WeakPolarHBondContact O-CB 3.44Å; Q269-Q272 PolarHBondContact O-N 2.77Å; Q269-Q272 VanDerWaalsContact O-N 3.13Å; P270-Q272 PolarHBondContact O-N 2.85Å; Q272-S292 CarbonylContact O-C 3.48Å; Q272-S292 WeakPolarHBondContact O-CA 3.31Å; Q272-S292 WeakPolarHBondContact O-CB 3.32Å; Q272-Q293 PolarHBondContact O-N 3.47Å
273	C	98.6	Very high	88	Confident	14 Å²	14	40.1 Å²	40.1	10%	0.095	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.9	176.9	-172.2	0	0	0	0	111.4	I180 L291 M524	I180-C273 HydrophobicContact CD1-CB 4.23Å; C273-L291 WeakPolarHBondContact CA-O 3.44Å; C273-M524 VanDerWaalsContact CA-SD 3.55Å; C273-M524 HydrophobicContact CB-CE 4.28Å; C273-M524 HydrophobicContact CB-SD 3.63Å; C273-M524 PolarHBondContact N-SD 2.89Å; C273-M524 VanDerWaalsContact N-SD 3.43Å
274	C	98.7	Very high	85.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	-13.8	171.9	68.1	0	0	0	0	113.7	V175 I180 V181 L291 Q293	V175-C274 HydrophobicContact CG1-CB 3.99Å; V175-C274 HydrophobicContact CG2-CB 4.12Å; I180-C274 WeakPolarHBondContact CA-O 3.37Å; V181-C274 PolarHBondContact N-O 2.89Å; C274-L291 PolarHBondContact N-O 2.92Å; C274-Q293 HydrophobicContact CB-CG 3.96Å
275	V	98.8	Very high	84.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.2	178.6	172.6	0	0	0	0	110	V181 V277 L291 I296 W336	V181-V275 HydrophobicContact CB-CG2 4.3Å; V181-V275 WeakPolarHBondContact O-CA 3.36Å; V275-V277 HydrophobicContact CG1-CG2 3.96Å; V275-L291 HydrophobicContact CB-CB 4.14Å; V275-L291 HydrophobicContact CG1-CD1 4.15Å; V275-L291 PolarHBondContact N-O 3Å; V275-L291 PolarHBondContact O-N 3.39Å; V275-I296 HydrophobicContact CB-CD1 4.18Å; V275-I296 HydrophobicContact CB-CG1 4.43Å; V275-I296 HydrophobicContact CG2-CD1 3.94Å; V275-I296 HydrophobicContact CG2-CG1 3.97Å; V275-W336 HydrophobicContact CG2-CZ2 4.09Å
276	L	98.6	Very high	83.7	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.1	167.8	-85.9	165.9	0	0	0	109.9	I180 V181 T182 C200 Y278 V289 M290 L527	I180-L276 HydrophobicContact CG2-CB 3.97Å; I180-L276 HydrophobicContact CG2-CD1 3.69Å; I180-L276 HydrophobicContact CG2-CG 3.63Å; V181-L276 PolarHBondContact O-N 3.27Å; T182-L276 HydrophobicContact CG2-CB 4.16Å; C200-L276 HydrophobicContact CB-CD1 3.77Å; L276-Y278 HydrophobicContact CB-CE2 4.4Å; L276-V289 WeakPolarHBondContact CA-O 3.38Å; L276-M290 HydrophobicContact CD2-CB 4.41Å; L276-M290 HydrophobicContact CD2-CG 3.57Å; L276-L527 HydrophobicContact CD1-CD2 3.9Å; L276-L527 HydrophobicContact CD2-CB 4.13Å; L276-L527 HydrophobicContact CD2-CD2 4.16Å
277	V	96.9	Very high	83.3	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.9	173.3	177.2	0	0	0	0	109.1	V275 V289 L291 I328	V275-V277 HydrophobicContact CG1-CG2 3.96Å; V277-V289 HydrophobicContact CB-CB 4.42Å; V277-V289 PolarHBondContact N-O 2.98Å; V277-V289 VanDerWaalsContact O-CB 3.32Å; V277-V289 WeakPolarHBondContact O-CB 3.39Å; V277-V289 PolarHBondContact O-N 3.4Å; V277-L291 HydrophobicContact CG2-CD1 4.13Å; V277-I328 HydrophobicContact CG2-CB 4.16Å; V277-I328 HydrophobicContact CG2-CD1 4.39Å
278	Y	90.2	Very high	83.2	Confident	13 Å²	13	36.7 Å²	36.7	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.8	176.7	-80.5	-90.7	0	0	0	111	T182 Y195 I196 D199 C200 L276 P286 K287	T182-Y278 HydrophobicContact CG2-CD2 3.75Å; T182-Y278 HydrophobicContact CG2-CE2 3.58Å; Y195-Y278 HydrophobicContact CE1-CE1 4.38Å; I196-Y278 HydrophobicContact CB-CD2 4.46Å; I196-Y278 HydrophobicContact CD1-CG 4.28Å; I196-Y278 HydrophobicContact CG1-CD1 3.94Å; I196-Y278 HydrophobicContact CG1-CD2 4.29Å; I196-Y278 HydrophobicContact CG1-CE1 4.34Å; I196-Y278 HydrophobicContact CG1-CG 3.89Å; I196-Y278 HydrophobicContact CG2-CD2 3.54Å; I196-Y278 HydrophobicContact CG2-CE2 3.58Å; I196-Y278 HydrophobicContact CG2-CG 4.04Å; D199-Y278 HydrophobicContact CB-CE1 4.44Å; D199-Y278 WeakPolarHBondContact CB-OH 3.42Å; D199-Y278 VanDerWaalsContact OD2-CE1 3.31Å; D199-Y278 WeakPolarHBondContact OD2-CE1 3.33Å; D199-Y278 PolarHBondContact OD2-OH 3.17Å; C200-Y278 HydrophobicContact CB-CE2 4.09Å; C200-Y278 WeakPolarHBondContact CB-OH 3.45Å; C200-Y278 PolarHBondContact N-OH 3.32Å; L276-Y278 HydrophobicContact CB-CE2 4.4Å; Y278-P286 HydrophobicContact CD1-CB 3.92Å; Y278-K287 WeakPolarHBondContact CA-O 3.45Å
279	T	79.8	Confident	83.2	Confident	26 Å²	26	36.1 Å²	36.1	16%	0.16	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137	177.2	61.5	0	0	0	0	110.4	G281 P286 K287 V289 S474	T279-G281 PolarHBondContact O-N 3.28Å; T279-G281 VanDerWaalsContact O-N 3.17Å; T279-P286 CarbonylContact O-C 3.6Å; T279-P286 WeakPolarHBondContact O-CA 3.43Å; T279-K287 PolarHBondContact N-O 3.06Å; T279-K287 PolarHBondContact O-N 3.21Å; T279-K287 PolarHBondContact OG1-O 3.13Å; T279-V289 HydrophobicContact CG2-CG2 3.89Å; T279-S474 WeakPolarHBondContact CG2-OG 3.28Å
280	S	66.2	Low	83.3	Confident	78 Å²	78	32.8 Å²	32.8	55%	0.545	21%	0.208	S	C	.	.			trans	-68.6	112.8	172.6	56.5	0	0	0	0	109.5
281	G	50	Low	83.3	Confident	24 Å²	24	32 Å²	32	25%	0.247	20%	0.203	C	C	.	.			trans	-66.4	150.4	167.1	0	0	0	0	0	110.8	T279 T283	T279-G281 PolarHBondContact O-N 3.28Å; T279-G281 VanDerWaalsContact O-N 3.17Å; G281-T283 PolarHBondContact O-N 2.93Å
282	T	44.6	Very low	83.3	Confident	95 Å²	95	31.3 Å²	31.3	58%	0.583	20%	0.199	S	C	*	.	S	Bend	trans	-70.4	-19.4	175.4	47.5	0	0	0	0	113
283	T	44.4	Very low	83.4	Confident	123 Å²	123	29.4 Å²	29.4	76%	0.755	19%	0.191	S	C	*	.	S	Bend	trans	-136.2	20.2	-167.3	57.3	0	0	0	0	113.8	G281 L702	G281-T283 PolarHBondContact O-N 2.93Å; T283-L702 HydrophobicContact CG2-CD1 4.35Å
284	G	54.9	Low	83.3	Confident	55 Å²	55	28.8 Å²	28.8	57%	0.567	19%	0.186	S	C	*	.	S	Bend	trans	174.7	-161.6	-178.8	0	0	0	0	0	115.3
285	N	69	Low	83.3	Confident	103 Å²	103	29 Å²	29	55%	0.551	19%	0.187	S	C	*	.	S	Bend	trans	-58	150.6	179.5	-67.3	-29.3	0	0	0	112.1	Y195	Y195-N285 HydrophobicContact CD1-CB 4.37Å; Y195-N285 HydrophobicContact CD2-CB 4.3Å; Y195-N285 HydrophobicContact CE1-CB 3.76Å; Y195-N285 HydrophobicContact CE2-CB 3.68Å; Y195-N285 WeakPolarHBondContact CE2-ND2 3.35Å; Y195-N285 WeakPolarHBondContact OH-CB 3.37Å
286	P	81.6	Confident	83.3	Confident	32 Å²	32	29 Å²	29	21%	0.208	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-55.9	139.4	175.4	-25.9	35	0	0	0	112.6	Y195 Y278 T279	Y195-P286 HydrophobicContact CD1-CG 4.37Å; Y195-P286 HydrophobicContact CE1-CB 4.37Å; Y195-P286 VanDerWaalsContact CE1-O 3.27Å; Y195-P286 WeakPolarHBondContact CE1-O 3.22Å; Y195-P286 PolarHBondContact OH-O 3.24Å; Y278-P286 HydrophobicContact CD1-CB 3.92Å; T279-P286 CarbonylContact O-C 3.6Å; T279-P286 WeakPolarHBondContact O-CA 3.43Å
287	K	89.5	Confident	83.3	Confident	50 Å²	50	28.9 Å²	28.9	22%	0.217	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	179.2	-58.2	179.6	-74.3	165.3	0	110.2	Y278 T279 V289 Y526 M529	Y278-K287 WeakPolarHBondContact CA-O 3.45Å; T279-K287 PolarHBondContact N-O 3.06Å; T279-K287 PolarHBondContact O-N 3.21Å; T279-K287 PolarHBondContact OG1-O 3.13Å; K287-V289 PolarHBondContact O-N 3.31Å; K287-Y526 HydrophobicContact CB-CD1 3.62Å; K287-Y526 HydrophobicContact CB-CE1 3.84Å; K287-Y526 HydrophobicContact CB-CG 4.37Å; K287-Y526 HydrophobicContact CD-CD1 4.25Å; K287-Y526 HydrophobicContact CD-CE1 4.02Å; K287-Y526 HydrophobicContact CD-CE2 4.43Å; K287-Y526 PolarHBondContact NZ-OH 3.25Å; K287-M529 HydrophobicContact CB-SD 4.35Å; K287-M529 HydrophobicContact CG-SD 3.91Å
288	G	95.8	Very high	83.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	104.5	176.3	0	0	0	0	0	111.8	M290 Y526 L527	G288-M290 PolarHBondContact O-N 3.29Å; G288-Y526 CarbonylContact O-C 3.58Å; G288-Y526 WeakPolarHBondContact O-CA 3.26Å; G288-L527 PolarHBondContact O-N 3.38Å
289	V	98.2	Very high	83.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.6	175.7	176.9	0	0	0	0	108.9	L276 V277 T279 K287 L291 S474 E475 F523 Y526	L276-V289 WeakPolarHBondContact CA-O 3.38Å; V277-V289 HydrophobicContact CB-CB 4.42Å; V277-V289 PolarHBondContact N-O 2.98Å; V277-V289 VanDerWaalsContact O-CB 3.32Å; V277-V289 WeakPolarHBondContact O-CB 3.39Å; V277-V289 PolarHBondContact O-N 3.4Å; T279-V289 HydrophobicContact CG2-CG2 3.89Å; K287-V289 PolarHBondContact O-N 3.31Å; V289-L291 HydrophobicContact CG1-CD2 3.73Å; V289-L291 HydrophobicContact CG1-CG 4.25Å; V289-S474 WeakPolarHBondContact CG1-O 3.38Å; V289-E475 HydrophobicContact CG1-CG 4.41Å; V289-E475 HydrophobicContact CG2-CG 4.1Å; V289-F523 HydrophobicContact CB-CD2 4.35Å; V289-F523 HydrophobicContact CG1-CB 3.77Å; V289-F523 HydrophobicContact CG1-CD2 3.58Å; V289-F523 HydrophobicContact CG1-CG 4.05Å; V289-Y526 HydrophobicContact CG2-CD1 4.06Å; V289-Y526 HydrophobicContact CG2-CE1 3.71Å
290	M	98.8	Very high	84.6	Confident	0 Å²	0	27 Å²	27	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.6	178.8	-69	-173	-59.8	0	0	111.6	T80 T81 L276 G288 F523 M524 G525 L527	T80-M290 HydrophobicContact CG2-CE 4.27Å; T80-M290 WeakPolarHBondContact O-CE 3.23Å; T81-M290 VanDerWaalsContact C-CE 3.46Å; T81-M290 VanDerWaalsContact CA-CE 3.46Å; L276-M290 HydrophobicContact CD2-CB 4.41Å; L276-M290 HydrophobicContact CD2-CG 3.57Å; G288-M290 PolarHBondContact O-N 3.29Å; M290-F523 WeakPolarHBondContact O-CB 3.39Å; M290-M524 HydrophobicContact CB-CB 3.99Å; M290-M524 HydrophobicContact CE-CB 4.45Å; M290-M524 PolarHBondContact O-N 3.25Å; M290-G525 WeakPolarHBondContact CB-O 3.39Å; M290-G525 PolarHBondContact N-O 3.36Å; M290-L527 HydrophobicContact CG-CB 4.09Å; M290-L527 HydrophobicContact SD-CB 4.18Å; M290-L527 HydrophobicContact SD-CD1 3.79Å
291	L	98.8	Very high	86	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.2	178.8	-54.7	-179.3	0	0	0	109.9	C273 C274 V275 V277 V289 N295 I296 I328 T477 F523	C273-L291 WeakPolarHBondContact CA-O 3.44Å; C274-L291 PolarHBondContact N-O 2.92Å; V275-L291 HydrophobicContact CB-CB 4.14Å; V275-L291 HydrophobicContact CG1-CD1 4.15Å; V275-L291 PolarHBondContact N-O 3Å; V275-L291 PolarHBondContact O-N 3.39Å; V277-L291 HydrophobicContact CG2-CD1 4.13Å; V289-L291 HydrophobicContact CG1-CD2 3.73Å; V289-L291 HydrophobicContact CG1-CG 4.25Å; L291-N295 HydrophobicContact CB-CB 4.33Å; L291-I296 HydrophobicContact CB-CD1 4.27Å; L291-I296 HydrophobicContact CD1-CD1 4.18Å; L291-I328 HydrophobicContact CD1-CD1 3.37Å; L291-I328 HydrophobicContact CD1-CG1 3.8Å; L291-T477 HydrophobicContact CD1-CG2 4.2Å; L291-T477 WeakPolarHBondContact CD2-OG1 3.42Å; L291-F523 HydrophobicContact CD2-CB 3.73Å
292	S	98.6	Very high	88.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	162.1	177.4	64.4	0	0	0	0	112.6	Q272 D294 N295 I296	Q272-S292 CarbonylContact O-C 3.48Å; Q272-S292 WeakPolarHBondContact O-CA 3.31Å; Q272-S292 WeakPolarHBondContact O-CB 3.32Å; S292-D294 PolarHBondContact O-N 3.47Å; S292-N295 PolarHBondContact N-OD1 2.8Å; S292-N295 WeakPolarHBondContact O-CB 3.34Å; S292-N295 PolarHBondContact O-N 3.37Å; S292-N295 VanDerWaalsContact O-N 3.15Å; S292-N295 PolarHBondContact OG-N 3.43Å; S292-N295 PolarHBondContact OG-OD1 2.92Å; S292-I296 WeakPolarHBondContact O-CG1 3.44Å; S292-I296 PolarHBondContact O-N 3.42Å; S292-I296 VanDerWaalsContact O-N 3.15Å
293	Q	98.6	Very high	90.6	Very high	2 Å²	2	23 Å²	23	1%	0.009	13%	0.132	C	C	.	.	H	α-helix	trans	-49.3	-44.9	168	-66.3	-89.5	0.9	0	0	111.1	V102 V175 P270 Q272 C274 I296 T297	V102-Q293 VanDerWaalsContact CB-OE1 3.23Å; V175-Q293 VanDerWaalsContact CG1-NE2 3.32Å; P270-Q293 WeakPolarHBondContact O-CB 3.15Å; P270-Q293 PolarHBondContact O-N 2.92Å; Q272-Q293 PolarHBondContact O-N 3.47Å; C274-Q293 HydrophobicContact CB-CG 3.96Å; Q293-I296 PolarHBondContact O-N 3.05Å; Q293-T297 WeakPolarHBondContact O-CG2 3.36Å; Q293-T297 PolarHBondContact O-N 3.3Å; Q293-T297 PolarHBondContact O-OG1 3.42Å; Q293-T297 VanDerWaalsContact O-OG1 3.1Å
294	D	98.3	Very high	93	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67	-40.3	179.1	-165.6	63.3	0	0	0	112.8	L89 P99 P270 S292 I296 T297 W298 R520	L89-D294 HydrophobicContact CD1-CB 4.05Å; L89-D294 HydrophobicContact CD2-CB 3.68Å; P99-D294 WeakPolarHBondContact CA-OD1 3.33Å; P99-D294 VanDerWaalsContact CB-OD1 3.27Å; P99-D294 WeakPolarHBondContact CB-OD1 3.39Å; P270-D294 HydrophobicContact CB-CB 4.06Å; P270-D294 VanDerWaalsContact O-CB 3.22Å; P270-D294 WeakPolarHBondContact O-CB 3.41Å; P270-D294 PolarHBondContact O-N 3.34Å; S292-D294 PolarHBondContact O-N 3.47Å; D294-I296 PolarHBondContact O-N 3.42Å; D294-T297 PolarHBondContact O-N 2.9Å; D294-W298 WeakPolarHBondContact O-CB 3.44Å; D294-W298 PolarHBondContact O-N 2.87Å; D294-R520 IonicContact OD1-CZ 3.35Å; D294-R520 IonicContact OD1-NE 2.8Å; D294-R520 IonicContact OD1-NH2 2.77Å; D294-R520 PolarHBondContact OD1-NH2 3.32Å; D294-R520 IonicContact OD2-CZ 2.82Å; D294-R520 IonicContact OD2-NE 2.71Å; D294-R520 PolarHBondContact OD2-NE 2.94Å; D294-R520 IonicContact OD2-NH2 3.25Å; D294-R520 PolarHBondContact OD2-NH2 2.86Å
295	N	98.5	Very high	95	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-54.3	-47	174	-71.5	138.6	0	0	0	110.3	L291 S292 T299 T477 R520 I522	L291-N295 HydrophobicContact CB-CB 4.33Å; S292-N295 PolarHBondContact N-OD1 2.8Å; S292-N295 WeakPolarHBondContact O-CB 3.34Å; S292-N295 PolarHBondContact O-N 3.37Å; S292-N295 VanDerWaalsContact O-N 3.15Å; S292-N295 PolarHBondContact OG-N 3.43Å; S292-N295 PolarHBondContact OG-OD1 2.92Å; N295-T299 VanDerWaalsContact O-CB 3.23Å; N295-T299 WeakPolarHBondContact O-CB 3.3Å; N295-T299 PolarHBondContact O-N 3.4Å; N295-T299 PolarHBondContact O-OG1 3.38Å; N295-T477 HydrophobicContact CB-CG2 4.05Å; N295-T477 WeakPolarHBondContact CB-OG1 3.3Å; N295-T477 WeakPolarHBondContact O-CG2 3.31Å; N295-R520 PolarHBondContact ND2-O 3.27Å; N295-I522 PolarHBondContact ND2-O 3.38Å
296	I	98.7	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.9	-55.4	-179.7	-61.9	-56.8	0	0	0	111.3	V102 V275 L291 S292 Q293 D294 W298 T299 A300 I328 I332 W336 T477	V102-I296 HydrophobicContact CG2-CB 4.28Å; V102-I296 HydrophobicContact CG2-CG2 3.92Å; V275-I296 HydrophobicContact CB-CD1 4.18Å; V275-I296 HydrophobicContact CB-CG1 4.43Å; V275-I296 HydrophobicContact CG2-CD1 3.94Å; V275-I296 HydrophobicContact CG2-CG1 3.97Å; L291-I296 HydrophobicContact CB-CD1 4.27Å; L291-I296 HydrophobicContact CD1-CD1 4.18Å; S292-I296 WeakPolarHBondContact O-CG1 3.44Å; S292-I296 PolarHBondContact O-N 3.42Å; S292-I296 VanDerWaalsContact O-N 3.15Å; Q293-I296 PolarHBondContact O-N 3.05Å; D294-I296 PolarHBondContact O-N 3.42Å; I296-W298 PolarHBondContact O-N 2.95Å; I296-T299 PolarHBondContact O-N 2.82Å; I296-A300 WeakPolarHBondContact O-CB 3.43Å; I296-A300 PolarHBondContact O-N 3.14Å; I296-I328 HydrophobicContact CD1-CD1 4.04Å; I296-I332 HydrophobicContact CD1-CD1 4.33Å; I296-W336 HydrophobicContact CG2-CB 3.98Å; I296-W336 HydrophobicContact CG2-CD2 3.45Å; I296-W336 VanDerWaalsContact CG2-CD2 3.45Å; I296-W336 HydrophobicContact CG2-CE3 4.04Å; I296-W336 HydrophobicContact CG2-CG 3.4Å; I296-T477 HydrophobicContact CD1-CG2 4.09Å
297	T	98.4	Very high	96.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.8	-40.2	-174	56.2	0	0	0	0	112.3	Y100 V102 M105 Q293 D294 R301	Y100-T297 HydrophobicContact CD2-CG2 3.95Å; Y100-T297 HydrophobicContact CE2-CG2 3.91Å; Y100-T297 WeakPolarHBondContact O-CG2 3.25Å; Y100-T297 PolarHBondContact O-OG1 3.38Å; V102-T297 HydrophobicContact CG2-CG2 3.95Å; M105-T297 HydrophobicContact CB-CG2 4.02Å; M105-T297 HydrophobicContact CE-CG2 4.44Å; M105-T297 HydrophobicContact SD-CG2 3.9Å; Q293-T297 WeakPolarHBondContact O-CG2 3.36Å; Q293-T297 PolarHBondContact O-N 3.3Å; Q293-T297 PolarHBondContact O-OG1 3.42Å; Q293-T297 VanDerWaalsContact O-OG1 3.1Å; D294-T297 PolarHBondContact O-N 2.9Å; T297-R301 WeakPolarHBondContact O-CB 3.42Å; T297-R301 PolarHBondContact O-N 3.3Å; T297-R301 VanDerWaalsContact O-N 3.14Å
298	W	97.5	Very high	97.2	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	6%	0.063	C	C	.	.	H	α-helix	trans	-64.4	-47.1	176.9	-170.5	81.8	0	0	0	111.7	D294 I296 R301 Y302 V497 P498 C500 R520 T521	D294-W298 WeakPolarHBondContact O-CB 3.44Å; D294-W298 PolarHBondContact O-N 2.87Å; I296-W298 PolarHBondContact O-N 2.95Å; W298-R301 PolarHBondContact O-N 3.45Å; W298-Y302 AromaticContact CD1-CD2 3.24Å; W298-Y302 AromaticContact CD1-CE2 3.54Å; W298-Y302 AromaticContact CD2-CD2 3.95Å; W298-Y302 HydrophobicContact CD2-CD2 3.95Å; W298-Y302 AromaticContact CE2-CD2 3.62Å; W298-Y302 AromaticContact CE2-CG 3.99Å; W298-Y302 AromaticContact CG-CD2 3.81Å; W298-Y302 HydrophobicContact CG-CD2 3.81Å; W298-Y302 HydrophobicContact CG-CE2 4.43Å; W298-Y302 HydrophobicContact CZ2-CD2 4.3Å; W298-Y302 HydrophobicContact CZ2-CG 4.21Å; W298-Y302 AromaticContact NE1-CD2 3.18Å; W298-Y302 AromaticContact NE1-CE2 3.63Å; W298-Y302 AromaticContact NE1-CG 3.9Å; W298-Y302 WeakPolarHBondContact O-CD2 3.19Å; W298-Y302 PolarHBondContact O-N 3.21Å; W298-V497 HydrophobicContact CH2-CG1 3.7Å; W298-V497 HydrophobicContact CZ3-CG1 4.07Å; W298-P498 WeakPolarHBondContact CZ2-O 3.41Å; W298-C500 WeakPolarHBondContact CH2-SG 3.4Å; W298-R520 HydrophobicContact CB-CB 4.29Å; W298-R520 VanDerWaalsContact CD1-CD 3.42Å; W298-R520 HydrophobicContact CD2-CB 3.93Å; W298-R520 HydrophobicContact CE3-CB 4.46Å; W298-R520 HydrophobicContact CG-CB 3.84Å; W298-T521 HydrophobicContact CE3-CG2 3.62Å; W298-T521 HydrophobicContact CH2-CG2 4.38Å; W298-T521 HydrophobicContact CZ3-CG2 3.34Å
299	T	97.9	Very high	97.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-69.5	-38.9	-177.7	-51.9	0	0	0	0	111.4	N295 I296 R301 G303 S304 I332 T477 P479	N295-T299 VanDerWaalsContact O-CB 3.23Å; N295-T299 WeakPolarHBondContact O-CB 3.3Å; N295-T299 PolarHBondContact O-N 3.4Å; N295-T299 PolarHBondContact O-OG1 3.38Å; I296-T299 PolarHBondContact O-N 2.82Å; T299-R301 PolarHBondContact O-N 3.41Å; T299-G303 VanDerWaalsContact O-CA 3.23Å; T299-G303 WeakPolarHBondContact O-CA 3.48Å; T299-G303 PolarHBondContact O-N 3.33Å; T299-S304 PolarHBondContact O-N 3.25Å; T299-I332 HydrophobicContact CG2-CD1 4.07Å; T299-I332 HydrophobicContact CG2-CG1 4.36Å; T299-I332 HydrophobicContact CG2-CG2 4.11Å; T299-T477 HydrophobicContact CG2-CG2 4.41Å; T299-T477 WeakPolarHBondContact CG2-O 3.33Å; T299-P479 HydrophobicContact CG2-CG 4.2Å
300	A	98	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-60.7	-30.2	174.2	0	0	0	0	0	113	M105 I296 S304 W336 Q340	M105-A300 HydrophobicContact SD-CB 4.12Å; I296-A300 WeakPolarHBondContact O-CB 3.43Å; I296-A300 PolarHBondContact O-N 3.14Å; A300-S304 WeakPolarHBondContact O-CB 3.49Å; A300-S304 PolarHBondContact O-OG 2.9Å; A300-W336 HydrophobicContact CB-CB 3.75Å; A300-Q340 HydrophobicContact CB-CB 4.29Å
301	R	96.5	Very high	96.8	Very high	74 Å²	74	17.4 Å²	17.4	28%	0.279	9%	0.085	S	C	.	.	I	π-helix	trans	-88.7	-60.5	177.1	-175.3	174.2	-178.5	89.3	-1.7	113	Y100 T297 W298 T299 S304 Q305 Q340 W341	Y100-R301 VanDerWaalsContact OH-CD 3.31Å; Y100-R301 WeakPolarHBondContact OH-CD 3.23Å; T297-R301 WeakPolarHBondContact O-CB 3.42Å; T297-R301 PolarHBondContact O-N 3.3Å; T297-R301 VanDerWaalsContact O-N 3.14Å; W298-R301 PolarHBondContact O-N 3.45Å; T299-R301 PolarHBondContact O-N 3.41Å; R301-S304 PolarHBondContact O-OG 2.84Å; R301-S304 VanDerWaalsContact O-OG 3.09Å; R301-Q305 WeakPolarHBondContact O-CB 3.4Å; R301-Q305 PolarHBondContact O-N 3.31Å; R301-Q305 VanDerWaalsContact O-N 3.13Å; R301-Q340 HydrophobicContact CB-CG 3.96Å; R301-Q340 HydrophobicContact CG-CG 4.38Å; R301-Q340 VanDerWaalsContact NH1-NE2 3.1Å; R301-W341 HydrophobicContact CG-CH2 4.36Å; R301-W341 HydrophobicContact CG-CZ2 3.91Å
302	Y	95.5	Very high	96.7	Very high	37 Å²	37	18 Å²	18	15%	0.145	9%	0.09	C	C	.	.	I	π-helix	trans	-88.4	-33.4	-169	-61.7	-74.9	0	0	0	112.8	Q97 W298 Q305 A306	Q97-Y302 HydrophobicContact CB-CE2 4.05Å; Q97-Y302 WeakPolarHBondContact CB-OH 3.37Å; Q97-Y302 HydrophobicContact CG-CE1 4.04Å; Q97-Y302 HydrophobicContact CG-CE2 4.09Å; Q97-Y302 VanDerWaalsContact CG-OH 3.23Å; Q97-Y302 WeakPolarHBondContact CG-OH 3.41Å; W298-Y302 AromaticContact CD1-CD2 3.24Å; W298-Y302 AromaticContact CD1-CE2 3.54Å; W298-Y302 AromaticContact CD2-CD2 3.95Å; W298-Y302 HydrophobicContact CD2-CD2 3.95Å; W298-Y302 AromaticContact CE2-CD2 3.62Å; W298-Y302 AromaticContact CE2-CG 3.99Å; W298-Y302 AromaticContact CG-CD2 3.81Å; W298-Y302 HydrophobicContact CG-CD2 3.81Å; W298-Y302 HydrophobicContact CG-CE2 4.43Å; W298-Y302 HydrophobicContact CZ2-CD2 4.3Å; W298-Y302 HydrophobicContact CZ2-CG 4.21Å; W298-Y302 AromaticContact NE1-CD2 3.18Å; W298-Y302 AromaticContact NE1-CE2 3.63Å; W298-Y302 AromaticContact NE1-CG 3.9Å; W298-Y302 WeakPolarHBondContact O-CD2 3.19Å; W298-Y302 PolarHBondContact O-N 3.21Å; Y302-Q305 PolarHBondContact O-N 2.88Å; Y302-A306 WeakPolarHBondContact O-CB 3.43Å; Y302-A306 PolarHBondContact O-N 3.33Å
303	G	94.8	Very high	96.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	11%	0.114	C	C	.	.	I	π-helix	trans	-64.4	-42.8	173.5	0	0	0	0	0	111.9	T299 A306 G307	T299-G303 VanDerWaalsContact O-CA 3.23Å; T299-G303 WeakPolarHBondContact O-CA 3.48Å; T299-G303 PolarHBondContact O-N 3.33Å; G303-A306 PolarHBondContact O-N 3.45Å; G303-G307 PolarHBondContact O-N 3.01Å
304	S	95.9	Very high	96.3	Very high	7 Å²	7	28 Å²	28	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-72.6	-36.9	175.7	64.6	0	0	0	0	113.1	T299 A300 R301 A306 G307 D308 I309 W341	T299-S304 PolarHBondContact O-N 3.25Å; A300-S304 WeakPolarHBondContact O-CB 3.49Å; A300-S304 PolarHBondContact O-OG 2.9Å; R301-S304 PolarHBondContact O-OG 2.84Å; R301-S304 VanDerWaalsContact O-OG 3.09Å; S304-A306 VanDerWaalsContact C-N 3.29Å; S304-A306 PolarHBondContact O-N 2.93Å; S304-G307 CarbonylContact O-C 3.59Å; S304-G307 WeakPolarHBondContact O-CA 3.38Å; S304-G307 PolarHBondContact O-N 3.35Å; S304-D308 PolarHBondContact O-N 2.89Å; S304-I309 WeakPolarHBondContact O-CB 3.42Å; S304-I309 PolarHBondContact O-N 3.14Å; S304-I309 VanDerWaalsContact O-N 3.08Å; S304-W341 PolarHBondContact OG-NE1 3.03Å
305	Q	95.3	Very high	96.1	Very high	107 Å²	107	30.7 Å²	30.7	50%	0.5	16%	0.156	S	C	.	.	H	α-helix	trans	-61.3	-38.1	173	-175.7	178.9	21.3	0	0	111.6	R301 Y302 G307 D308 W341	R301-Q305 WeakPolarHBondContact O-CB 3.4Å; R301-Q305 PolarHBondContact O-N 3.31Å; R301-Q305 VanDerWaalsContact O-N 3.13Å; Y302-Q305 PolarHBondContact O-N 2.88Å; Q305-G307 PolarHBondContact O-N 3.05Å; Q305-D308 WeakPolarHBondContact O-CA 3.41Å; Q305-D308 PolarHBondContact O-N 2.81Å; Q305-W341 HydrophobicContact CB-CZ2 4.38Å
306	A	95.7	Very high	96	Very high	17 Å²	17	33 Å²	33	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-64.8	-24	174	0	0	0	0	0	113	Y302 G303 S304 D308 M482 S484 V497	Y302-A306 WeakPolarHBondContact O-CB 3.43Å; Y302-A306 PolarHBondContact O-N 3.33Å; G303-A306 PolarHBondContact O-N 3.45Å; S304-A306 VanDerWaalsContact C-N 3.29Å; S304-A306 PolarHBondContact O-N 2.93Å; A306-D308 VanDerWaalsContact C-N 3.29Å; A306-M482 HydrophobicContact CB-CB 4.12Å; A306-M482 HydrophobicContact CB-CG 4.43Å; A306-S484 WeakPolarHBondContact O-CB 3.47Å; A306-V497 HydrophobicContact CB-CB 4.33Å; A306-V497 HydrophobicContact CB-CG1 3.97Å; A306-V497 HydrophobicContact CB-CG2 3.94Å
307	G	95.1	Very high	96	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3	169.8	0	0	0	0	0	113.8	G303 S304 Q305 I309 F446	G303-G307 PolarHBondContact O-N 3.01Å; S304-G307 CarbonylContact O-C 3.59Å; S304-G307 WeakPolarHBondContact O-CA 3.38Å; S304-G307 PolarHBondContact O-N 3.35Å; Q305-G307 PolarHBondContact O-N 3.05Å; G307-I309 VanDerWaalsContact C-N 3.3Å; G307-I309 PolarHBondContact O-N 2.92Å; G307-F446 VanDerWaalsContact O-CZ 3.22Å; G307-F446 WeakPolarHBondContact O-CZ 3.21Å
308	D	95.5	Very high	95.9	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.144	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	23.8	-175.1	-170.1	53.3	0	0	0	114.4	S304 Q305 A306 Q310 K444 P485 Y486	S304-D308 PolarHBondContact O-N 2.89Å; Q305-D308 WeakPolarHBondContact O-CA 3.41Å; Q305-D308 PolarHBondContact O-N 2.81Å; A306-D308 VanDerWaalsContact C-N 3.29Å; D308-Q310 PolarHBondContact O-N 3.19Å; D308-Q310 PolarHBondContact O-NE2 3.25Å; D308-Q310 PolarHBondContact OD1-NE2 2.92Å; D308-K444 VanDerWaalsContact O-CE 3.25Å; D308-K444 WeakPolarHBondContact O-CE 3.24Å; D308-K444 PolarHBondContact O-NZ 2.96Å; D308-K444 WeakPolarHBondContact OD2-CE 3.43Å; D308-K444 IonicContact OD2-NZ 3.95Å; D308-P485 HydrophobicContact CB-CG 4.38Å; D308-Y486 HydrophobicContact CB-CE2 4.36Å; D308-Y486 WeakPolarHBondContact OD1-CE2 3.49Å
309	I	95.6	Very high	96	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.062	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-60.9	126.4	169.1	-63.1	-61.2	0	0	0	109.2	S304 G307 E317 Y333 T337 W341 F446	S304-I309 WeakPolarHBondContact O-CB 3.42Å; S304-I309 PolarHBondContact O-N 3.14Å; S304-I309 VanDerWaalsContact O-N 3.08Å; G307-I309 VanDerWaalsContact C-N 3.3Å; G307-I309 PolarHBondContact O-N 2.92Å; I309-E317 HydrophobicContact CG2-CG 4.29Å; I309-Y333 HydrophobicContact CD1-CE2 4.4Å; I309-T337 HydrophobicContact CB-CG2 4.44Å; I309-T337 HydrophobicContact CG1-CG2 4.27Å; I309-T337 HydrophobicContact CG2-CG2 3.84Å; I309-W341 HydrophobicContact CG2-CB 4.17Å; I309-W341 HydrophobicContact CG2-CG 4.12Å; I309-F446 HydrophobicContact CD1-CE2 4.14Å
310	Q	93.9	Very high	95.9	Very high	44 Å²	44	34.5 Å²	34.5	21%	0.206	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-87.2	145.8	-176.5	-63.4	-56.4	-60.8	0	0	111.7	D308 V314 Q315 E317	D308-Q310 PolarHBondContact O-N 3.19Å; D308-Q310 PolarHBondContact O-NE2 3.25Å; D308-Q310 PolarHBondContact OD1-NE2 2.92Å; Q310-V314 HydrophobicContact CB-CB 4.45Å; Q310-Q315 HydrophobicContact CB-CB 4.26Å; Q310-E317 PolarHBondContact N-OE1 2.86Å
311	P	95.8	Very high	95.9	Very high	31 Å²	31	34.5 Å²	34.5	20%	0.201	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-59.5	141.4	161.2	-14.7	27.7	0	0	0	110.5	E313 V314 Q315 W341	P311-E313 WeakPolarHBondContact CB-OE2 3.43Å; P311-E313 PolarHBondContact O-N 2.9Å; P311-E313 VanDerWaalsContact O-N 3.08Å; P311-V314 WeakPolarHBondContact O-CB 3.4Å; P311-V314 PolarHBondContact O-N 2.66Å; P311-Q315 PolarHBondContact O-N 2.88Å; P311-Q315 VanDerWaalsContact O-N 3.07Å; P311-W341 HydrophobicContact CB-CE3 3.76Å; P311-W341 HydrophobicContact CB-CZ3 4.08Å; P311-W341 HydrophobicContact CG-CE3 3.71Å; P311-W341 HydrophobicContact CG-CZ3 3.67Å
312	A	96.5	Very high	95.8	Very high	14 Å²	14	31.9 Å²	31.9	12%	0.116	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.1	-178.2	0	0	0	0	0	114.2	Y113 L116 V314 Q316 W341	Y113-A312 HydrophobicContact CD1-CB 3.81Å; Y113-A312 HydrophobicContact CE1-CB 3.69Å; L116-A312 HydrophobicContact CD1-CB 3.6Å; A312-V314 PolarHBondContact O-N 3.46Å; A312-Q316 HydrophobicContact CB-CB 3.99Å; A312-Q316 HydrophobicContact CB-CG 4.03Å; A312-W341 VanDerWaalsContact CB-O 3.29Å; A312-W341 WeakPolarHBondContact CB-O 3.47Å; A312-W341 PolarHBondContact N-O 3.45Å
313	E	94.5	Very high	95.6	Very high	106 Å²	106	30.8 Å²	30.8	50%	0.495	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.8	170.9	-52.1	97.2	135.5	0	0	112.7	K112 Y113 P311	K112-E313 WeakPolarHBondContact CD-OE1 3.42Å; K112-E313 IonicContact NZ-OE1 3.6Å; K112-E313 PolarHBondContact NZ-OE1 3.19Å; Y113-E313 HydrophobicContact CE1-CG 4.03Å; Y113-E313 WeakPolarHBondContact CE1-OE2 3.09Å; Y113-E313 VanDerWaalsContact CZ-OE2 3.25Å; Y113-E313 VanDerWaalsContact OH-CD 3.22Å; Y113-E313 PolarHBondContact OH-OE1 2.95Å; Y113-E313 PolarHBondContact OH-OE2 2.94Å; P311-E313 WeakPolarHBondContact CB-OE2 3.43Å; P311-E313 PolarHBondContact O-N 2.9Å; P311-E313 VanDerWaalsContact O-N 3.08Å
314	V	95	Very high	95.4	Very high	104 Å²	104	33.1 Å²	33.1	63%	0.63	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-54.6	175.2	178.5	0	0	0	0	109.8	Q310 P311 A312	Q310-V314 HydrophobicContact CB-CB 4.45Å; P311-V314 WeakPolarHBondContact O-CB 3.4Å; P311-V314 PolarHBondContact O-N 2.66Å; A312-V314 PolarHBondContact O-N 3.46Å
315	Q	93.5	Very high	95.4	Very high	57 Å²	57	32.9 Å²	32.9	27%	0.266	18%	0.176	S	C	.	.			trans	-155.1	117.8	177.5	177	178.5	-61.7	0	0	108.2	Q310 P311 E317	Q310-Q315 HydrophobicContact CB-CB 4.26Å; P311-Q315 PolarHBondContact O-N 2.88Å; P311-Q315 VanDerWaalsContact O-N 3.07Å; Q315-E317 PolarHBondContact NE2-OE2 3.49Å; Q315-E317 VanDerWaalsContact NE2-OE2 3.1Å; Q315-E317 PolarHBondContact O-N 3.24Å; Q315-E317 VanDerWaalsContact O-N 3.08Å
316	Q	97.1	Very high	95.2	Very high	54 Å²	54	28.1 Å²	28.1	25%	0.252	15%	0.154	S	C	.	.			trans	-68	109.1	170.4	-169.1	175.4	23.2	0	0	109.4	S117 A312 G342	S117-Q316 PolarHBondContact O-NE2 3.23Å; A312-Q316 HydrophobicContact CB-CB 3.99Å; A312-Q316 HydrophobicContact CB-CG 4.03Å; Q316-G342 VanDerWaalsContact CG-O 3.28Å; Q316-G342 WeakPolarHBondContact CG-O 3.3Å; Q316-G342 PolarHBondContact NE2-O 2.73Å
317	E	97.3	Very high	94.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.156	C	C	.	.			trans	-67.7	143.1	175.4	-59	-65.6	-177.9	0	0	110.7	I309 Q310 Q315 A343 Q344 T367 K444	I309-E317 HydrophobicContact CG2-CG 4.29Å; Q310-E317 PolarHBondContact N-OE1 2.86Å; Q315-E317 PolarHBondContact NE2-OE2 3.49Å; Q315-E317 VanDerWaalsContact NE2-OE2 3.1Å; Q315-E317 PolarHBondContact O-N 3.24Å; Q315-E317 VanDerWaalsContact O-N 3.08Å; E317-A343 HydrophobicContact CB-CB 3.91Å; E317-A343 CarbonylContact O-C 3.53Å; E317-A343 VanDerWaalsContact O-CA 3.3Å; E317-A343 WeakPolarHBondContact O-CA 3.46Å; E317-Q344 PolarHBondContact O-N 3.14Å; E317-T367 VanDerWaalsContact CA-OG1 3.31Å; E317-T367 WeakPolarHBondContact CA-OG1 3.24Å; E317-T367 VanDerWaalsContact OE2-CB 3.25Å; E317-T367 WeakPolarHBondContact OE2-CB 3.43Å; E317-T367 PolarHBondContact OE2-OG1 3.08Å; E317-K444 IonicContact OE1-NZ 2.92Å; E317-K444 PolarHBondContact OE1-NZ 3.08Å
318	V	97.9	Very high	94.9	Very high	23 Å²	23	29.1 Å²	29.1	14%	0.139	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.1	173.5	-175	0	0	0	0	107.9	Q344 V364 P366 T367 S368	V318-Q344 WeakPolarHBondContact CA-O 3.5Å; V318-Q344 HydrophobicContact CG2-CB 4.33Å; V318-V364 HydrophobicContact CG1-CG1 3.48Å; V318-V364 VanDerWaalsContact CG1-CG1 3.48Å; V318-P366 CarbonylContact O-C 3.45Å; V318-P366 VanDerWaalsContact O-CA 3.28Å; V318-P366 WeakPolarHBondContact O-CA 3.05Å; V318-P366 VanDerWaalsContact O-CB 3.23Å; V318-P366 WeakPolarHBondContact O-CB 3.35Å; V318-T367 PolarHBondContact N-OG1 3.38Å; V318-T367 PolarHBondContact O-N 2.87Å; V318-T367 PolarHBondContact O-OG1 2.78Å; V318-S368 PolarHBondContact O-N 3.05Å
319	V	97.6	Very high	94.8	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.4	-178.4	-56.4	0	0	0	0	110.7	Y333 Q344 V345 C346	V319-Y333 HydrophobicContact CB-CE1 4.04Å; V319-Y333 HydrophobicContact CG1-CE1 3.96Å; V319-Y333 WeakPolarHBondContact CG1-OH 3.44Å; V319-Q344 PolarHBondContact N-O 2.93Å; V319-V345 HydrophobicContact CG2-CB 4.23Å; V319-V345 HydrophobicContact CG2-CG1 4.22Å; V319-V345 HydrophobicContact CG2-CG2 3.93Å; V319-C346 PolarHBondContact O-N 2.83Å
320	V	97.4	Very high	94.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.4	174.1	175.7	0	0	0	0	109.4	Y322 C346 A348 L357 T360 L361 V364 P366	V320-Y322 HydrophobicContact CG1-CD1 4.36Å; V320-Y322 WeakPolarHBondContact O-CD1 3.44Å; V320-C346 CarbonylContact C-O 3.51Å; V320-C346 VanDerWaalsContact CA-O 3.26Å; V320-C346 WeakPolarHBondContact CA-O 3.4Å; V320-A348 HydrophobicContact CG1-CB 3.86Å; V320-L357 HydrophobicContact CG1-CD1 4.17Å; V320-T360 HydrophobicContact CG1-CG2 3.91Å; V320-T360 HydrophobicContact CG2-CG2 4.41Å; V320-L361 HydrophobicContact CB-CD2 4.27Å; V320-L361 HydrophobicContact CG2-CD2 4Å; V320-V364 HydrophobicContact CG2-CB 4.01Å; V320-V364 HydrophobicContact CG2-CG1 3.81Å; V320-V364 HydrophobicContact CG2-CG2 4.3Å; V320-P366 HydrophobicContact CG2-CB 4.28Å; V320-P366 HydrophobicContact CG2-CG 4.2Å
321	S	97.4	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.6	177.1	-173.9	0	0	0	0	110.6	N163 D334 C346 A348	N163-S321 PolarHBondContact ND2-OG 3.37Å; S321-D334 VanDerWaalsContact CA-OD2 3.29Å; S321-D334 WeakPolarHBondContact CA-OD2 3.34Å; S321-D334 WeakPolarHBondContact CB-OD2 2.9Å; S321-D334 PolarHBondContact OG-OD2 3.43Å; S321-C346 PolarHBondContact N-O 3.5Å; S321-A348 PolarHBondContact O-N 3.2Å
322	Y	94.4	Very high	94.9	Very high	19 Å²	19	25.2 Å²	25.2	8%	0.075	14%	0.138	C	C	.	.			trans	-152.4	-17.5	179.4	74.5	-78.5	0	0	0	113.1	N163 V320 L353 L357 H369 M370 G371 V375	N163-Y322 PolarHBondContact ND2-N 3.11Å; V320-Y322 HydrophobicContact CG1-CD1 4.36Å; V320-Y322 WeakPolarHBondContact O-CD1 3.44Å; Y322-L353 HydrophobicContact CD2-CD2 3.77Å; Y322-L353 HydrophobicContact CD2-CG 4.37Å; Y322-L353 HydrophobicContact CE2-CD2 3.75Å; Y322-L357 HydrophobicContact CD1-CD1 3.96Å; Y322-L357 HydrophobicContact CD2-CD1 4.26Å; Y322-L357 HydrophobicContact CD2-CD2 4.14Å; Y322-L357 HydrophobicContact CE1-CD1 4.39Å; Y322-L357 HydrophobicContact CE1-CD2 4.45Å; Y322-L357 HydrophobicContact CE2-CD2 3.85Å; Y322-L357 HydrophobicContact CG-CD1 3.9Å; Y322-H369 AromaticContact CE1-CE1 3.44Å; Y322-H369 VanDerWaalsContact CE1-CE1 3.44Å; Y322-H369 WeakPolarHBondContact CE1-CE1 3.31Å; Y322-H369 AromaticContact CZ-CE1 3.88Å; Y322-M370 VanDerWaalsContact CE1-O 3.32Å; Y322-M370 WeakPolarHBondContact CE1-O 3.31Å; Y322-M370 PolarHBondContact OH-O 3.07Å; Y322-G371 WeakPolarHBondContact OH-CA 3.41Å; Y322-V375 HydrophobicContact CE2-CG1 4.46Å; Y322-V375 HydrophobicContact CE2-CG2 3.99Å
323	L	91.6	Very high	94.9	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.068	14%	0.138	C	C	.	.	S	Bend	trans	-73.4	144.3	175.7	-67.8	175.9	0	0	0	109.5	N163 L325 A330 M370 V372	N163-L323 PolarHBondContact ND2-O 3.02Å; N163-L323 PolarHBondContact OD1-O 2.83Å; L323-L325 PolarHBondContact O-N 3.48Å; L323-L325 VanDerWaalsContact O-N 3.08Å; L323-A330 HydrophobicContact CB-CB 3.83Å; L323-M370 HydrophobicContact CD1-CB 4.43Å; L323-M370 HydrophobicContact CD1-CG 3.84Å; L323-V372 HydrophobicContact CD2-CG1 4.37Å
324	P	90.3	Very high	95	Very high	51 Å²	51	20.9 Å²	20.9	33%	0.331	12%	0.115	S	C	.	.			trans	-57.9	117.6	-176.4	-25.5	34.1	0	0	0	112.6	Y185 S326 H327 A330	Y185-P324 HydrophobicContact CD1-CB 3.92Å; Y185-P324 HydrophobicContact CD1-CG 4.39Å; Y185-P324 HydrophobicContact CE1-CB 3.66Å; Y185-P324 HydrophobicContact CE1-CG 4.11Å; P324-S326 PolarHBondContact O-N 3.27Å; P324-S326 VanDerWaalsContact O-N 3.14Å; P324-H327 WeakPolarHBondContact O-CB 3.28Å; P324-H327 PolarHBondContact O-N 3.01Å; P324-A330 WeakPolarHBondContact O-CB 3.49Å
325	L	95	Very high	95.1	Very high	2 Å²	2	16 Å²	16	1%	0.01	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.3	178.4	-67	162.6	0	0	0	113.4	N163 W167 F168 L323 H327 A330 Q331 D334	N163-L325 HydrophobicContact CB-CD1 3.74Å; N163-L325 HydrophobicContact CB-CG 4.42Å; N163-L325 VanDerWaalsContact CG-CD1 3.47Å; W167-L325 HydrophobicContact CB-CD1 4.14Å; W167-L325 HydrophobicContact CD2-CB 3.71Å; W167-L325 HydrophobicContact CD2-CD1 3.45Å; W167-L325 VanDerWaalsContact CD2-CD1 3.45Å; W167-L325 HydrophobicContact CD2-CG 4.17Å; W167-L325 VanDerWaalsContact CE2-CB 3.42Å; W167-L325 HydrophobicContact CE3-CB 3.84Å; W167-L325 HydrophobicContact CE3-CD1 3.51Å; W167-L325 HydrophobicContact CE3-CD2 4.39Å; W167-L325 HydrophobicContact CE3-CG 4.11Å; W167-L325 HydrophobicContact CG-CB 4.5Å; W167-L325 HydrophobicContact CG-CD1 3.7Å; W167-L325 HydrophobicContact CH2-CB 3.56Å; W167-L325 WeakPolarHBondContact CH2-O 3.11Å; W167-L325 HydrophobicContact CZ2-CB 3.37Å; W167-L325 WeakPolarHBondContact CZ2-O 3.39Å; W167-L325 HydrophobicContact CZ3-CB 3.75Å; W167-L325 HydrophobicContact CZ3-CD1 4.16Å; W167-L325 HydrophobicContact CZ3-CD2 4.27Å; W167-L325 HydrophobicContact CZ3-CG 4.27Å; F168-L325 HydrophobicContact CD2-CD1 4.09Å; F168-L325 HydrophobicContact CE2-CD1 3.63Å; F168-L325 HydrophobicContact CE2-CD2 3.89Å; F168-L325 HydrophobicContact CE2-CG 4.43Å; F168-L325 HydrophobicContact CZ-CD2 4.39Å; L323-L325 PolarHBondContact O-N 3.48Å; L323-L325 VanDerWaalsContact O-N 3.08Å; L325-H327 PolarHBondContact O-N 3.46Å; L325-A330 HydrophobicContact CD2-CB 4.18Å; L325-Q331 WeakPolarHBondContact O-CG 3.35Å; L325-Q331 PolarHBondContact O-NE2 3.42Å; L325-D334 HydrophobicContact CD2-CB 4.13Å
326	S	91.5	Very high	95.4	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.042	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.6	166.8	-37.7	0	0	0	0	113.1	I184 Y185 P324	I184-S326 PolarHBondContact N-OG 2.96Å; I184-S326 PolarHBondContact O-OG 2.85Å; I184-S326 VanDerWaalsContact O-OG 3.11Å; Y185-S326 PolarHBondContact N-OG 2.81Å; P324-S326 PolarHBondContact O-N 3.27Å; P324-S326 VanDerWaalsContact O-N 3.14Å
327	H	90.1	Very high	95.4	Very high	37 Å²	37	10.9 Å²	10.9	17%	0.171	6%	0.062	C	C	.	.	S	Bend	trans	-101.1	138.1	178.4	-167.1	-89.4	0	0	0	111.3	Y185 P324 L325 A329 A330 Q331	Y185-H327 PolarHBondContact OH-CD2 2.86Å; P324-H327 WeakPolarHBondContact O-CB 3.28Å; P324-H327 PolarHBondContact O-N 3.01Å; L325-H327 PolarHBondContact O-N 3.46Å; H327-A329 WeakPolarHBondContact ND1-CB 3.48Å; H327-A329 PolarHBondContact ND1-N 2.87Å; H327-A329 PolarHBondContact O-N 3.31Å; H327-A329 VanDerWaalsContact O-N 3.15Å; H327-A330 PolarHBondContact O-N 3.26Å; H327-Q331 PolarHBondContact O-N 3.15Å
328	I	95.8	Very high	95.4	Very high	2 Å²	2	11 Å²	11	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-59.2	-33.7	-174.4	-166.1	52.2	0	0	0	113.5	V277 L291 I296 A330 Q331 I332 T477	V277-I328 HydrophobicContact CG2-CB 4.16Å; V277-I328 HydrophobicContact CG2-CD1 4.39Å; L291-I328 HydrophobicContact CD1-CD1 3.37Å; L291-I328 HydrophobicContact CD1-CG1 3.8Å; I296-I328 HydrophobicContact CD1-CD1 4.04Å; I328-A330 VanDerWaalsContact C-N 3.32Å; I328-A330 PolarHBondContact O-N 3.25Å; I328-Q331 HydrophobicContact CD1-CB 4.25Å; I328-Q331 PolarHBondContact O-N 3.18Å; I328-I332 HydrophobicContact CD1-CD1 4.33Å; I328-I332 HydrophobicContact CD1-CG1 3.88Å; I328-I332 HydrophobicContact CG1-CG1 3.94Å; I328-I332 WeakPolarHBondContact O-CB 3.35Å; I328-I332 WeakPolarHBondContact O-CG1 3.42Å; I328-I332 PolarHBondContact O-N 3.17Å; I328-T477 HydrophobicContact CD1-CG2 4.32Å; I328-T477 HydrophobicContact CG1-CG2 4.3Å
329	A	92	Very high	95.4	Very high	23 Å²	23	10 Å²	10	19%	0.19	6%	0.056	C	C	.	.	H	α-helix	trans	-59.3	-43.7	-179.1	0	0	0	0	0	112	H327 Y333	H327-A329 WeakPolarHBondContact ND1-CB 3.48Å; H327-A329 PolarHBondContact ND1-N 2.87Å; H327-A329 PolarHBondContact O-N 3.31Å; H327-A329 VanDerWaalsContact O-N 3.15Å; A329-Y333 WeakPolarHBondContact O-CB 3.35Å; A329-Y333 PolarHBondContact O-N 3.25Å
330	A	93.7	Very high	95.4	Very high	2 Å²	2	10.4 Å²	10.4	2%	0.017	6%	0.058	C	C	.	.	H	α-helix	trans	-72.1	-38.3	176.8	0	0	0	0	0	111.3	L323 P324 L325 H327 I328 I332 Y333 D334	L323-A330 HydrophobicContact CB-CB 3.83Å; P324-A330 WeakPolarHBondContact O-CB 3.49Å; L325-A330 HydrophobicContact CD2-CB 4.18Å; H327-A330 PolarHBondContact O-N 3.26Å; I328-A330 VanDerWaalsContact C-N 3.32Å; I328-A330 PolarHBondContact O-N 3.25Å; A330-I332 PolarHBondContact O-N 3.4Å; A330-Y333 PolarHBondContact O-N 2.72Å; A330-D334 WeakPolarHBondContact O-CA 3.14Å; A330-D334 WeakPolarHBondContact O-CB 3.36Å; A330-D334 VanDerWaalsContact O-CG 3.27Å; A330-D334 PolarHBondContact O-N 2.91Å
331	Q	97.3	Very high	95.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-62.2	-46.2	175.5	-65.3	-170.7	19.7	0	0	112.3	W167 L325 H327 I328 L335 W336	W167-Q331 HydrophobicContact CH2-CG 3.97Å; W167-Q331 HydrophobicContact CZ3-CG 4.5Å; L325-Q331 WeakPolarHBondContact O-CG 3.35Å; L325-Q331 PolarHBondContact O-NE2 3.42Å; H327-Q331 PolarHBondContact O-N 3.15Å; I328-Q331 HydrophobicContact CD1-CB 4.25Å; I328-Q331 PolarHBondContact O-N 3.18Å; Q331-L335 CarbonylContact O-C 3.6Å; Q331-L335 WeakPolarHBondContact O-CA 3.4Å; Q331-L335 VanDerWaalsContact O-CB 3.32Å; Q331-L335 WeakPolarHBondContact O-CB 3.04Å; Q331-L335 PolarHBondContact O-N 3.32Å; Q331-L335 VanDerWaalsContact O-N 3.09Å; Q331-W336 PolarHBondContact O-N 3.03Å
332	I	97.6	Very high	95.4	Very high	8 Å²	8	11.1 Å²	11.1	4%	0.041	6%	0.06	C	C	.	.	I	π-helix	trans	-64.6	-49.7	178.1	-69	-66.6	0	0	0	110.1	I296 T299 I328 A330 T337 T477	I296-I332 HydrophobicContact CD1-CD1 4.33Å; T299-I332 HydrophobicContact CG2-CD1 4.07Å; T299-I332 HydrophobicContact CG2-CG1 4.36Å; T299-I332 HydrophobicContact CG2-CG2 4.11Å; I328-I332 HydrophobicContact CD1-CD1 4.33Å; I328-I332 HydrophobicContact CD1-CG1 3.88Å; I328-I332 HydrophobicContact CG1-CG1 3.94Å; I328-I332 WeakPolarHBondContact O-CB 3.35Å; I328-I332 WeakPolarHBondContact O-CG1 3.42Å; I328-I332 PolarHBondContact O-N 3.17Å; A330-I332 PolarHBondContact O-N 3.4Å; I332-T337 WeakPolarHBondContact O-CB 3.4Å; I332-T337 PolarHBondContact O-N 3.41Å; I332-T337 PolarHBondContact O-OG1 2.78Å; I332-T477 HydrophobicContact CD1-CG2 3.95Å; I332-T477 HydrophobicContact CG1-CG2 4.44Å
333	Y	96.6	Very high	95.6	Very high	26 Å²	26	10.4 Å²	10.4	10%	0.102	6%	0.059	C	C	.	.	I	π-helix	trans	-72.8	-51.6	-173.9	-175.1	-101.3	0	0	0	112.9	I309 V319 A329 A330 S368 H369 M370 F446	I309-Y333 HydrophobicContact CD1-CE2 4.4Å; V319-Y333 HydrophobicContact CB-CE1 4.04Å; V319-Y333 HydrophobicContact CG1-CE1 3.96Å; V319-Y333 WeakPolarHBondContact CG1-OH 3.44Å; A329-Y333 WeakPolarHBondContact O-CB 3.35Å; A329-Y333 PolarHBondContact O-N 3.25Å; A330-Y333 PolarHBondContact O-N 2.72Å; Y333-S368 VanDerWaalsContact OH-CB 3.26Å; Y333-S368 WeakPolarHBondContact OH-CB 3.4Å; Y333-S368 PolarHBondContact OH-O 3.33Å; Y333-S368 VanDerWaalsContact OH-O 3.07Å; Y333-S368 PolarHBondContact OH-OG 3.2Å; Y333-H369 PolarHBondContact OH-N 3.44Å; Y333-H369 VanDerWaalsContact OH-N 3.16Å; Y333-M370 HydrophobicContact CD1-CB 3.61Å; Y333-M370 HydrophobicContact CD1-CG 4.35Å; Y333-M370 HydrophobicContact CD2-CB 4.22Å; Y333-M370 HydrophobicContact CE1-CB 3.51Å; Y333-M370 HydrophobicContact CE2-CB 4.11Å; Y333-M370 HydrophobicContact CG-CB 3.98Å; Y333-M370 HydrophobicContact CG-CG 4.4Å; Y333-F446 AromaticContact CE2-CD2 3.88Å; Y333-F446 HydrophobicContact CE2-CD2 3.88Å; Y333-F446 HydrophobicContact CE2-CE2 4.17Å
334	D	95.5	Very high	95.9	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.011	6%	0.059	C	C	.	.	I	π-helix	trans	-79.3	-43.5	-173.6	-51.9	18.7	0	0	0	111	F168 S321 L325 A330 V345	F168-D334 HydrophobicContact CZ-CB 3.96Å; S321-D334 VanDerWaalsContact CA-OD2 3.29Å; S321-D334 WeakPolarHBondContact CA-OD2 3.34Å; S321-D334 WeakPolarHBondContact CB-OD2 2.9Å; S321-D334 PolarHBondContact OG-OD2 3.43Å; L325-D334 HydrophobicContact CD2-CB 4.13Å; A330-D334 WeakPolarHBondContact O-CA 3.14Å; A330-D334 WeakPolarHBondContact O-CB 3.36Å; A330-D334 VanDerWaalsContact O-CG 3.27Å; A330-D334 PolarHBondContact O-N 2.91Å; D334-V345 WeakPolarHBondContact O-CG2 3.46Å
335	L	98.3	Very high	96.3	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.044	C	C	.	.	I	π-helix	trans	-100	-65.1	-167.4	-166	157.4	0	0	0	112.8	W167 F168 A171 V172 Q331 G338 I339	W167-L335 HydrophobicContact CE3-CD1 3.9Å; W167-L335 HydrophobicContact CZ3-CD1 3.59Å; F168-L335 HydrophobicContact CB-CD1 4.25Å; F168-L335 HydrophobicContact CD1-CB 4.21Å; F168-L335 HydrophobicContact CD1-CD1 3.79Å; F168-L335 HydrophobicContact CD1-CG 3.63Å; F168-L335 HydrophobicContact CD2-CD1 3.86Å; F168-L335 HydrophobicContact CD2-CG 4.47Å; F168-L335 HydrophobicContact CE1-CB 3.68Å; F168-L335 HydrophobicContact CE1-CD1 4.09Å; F168-L335 HydrophobicContact CE1-CG 3.64Å; F168-L335 HydrophobicContact CE2-CB 4.31Å; F168-L335 HydrophobicContact CE2-CD1 4.11Å; F168-L335 HydrophobicContact CE2-CG 4.44Å; F168-L335 HydrophobicContact CG-CD1 3.68Å; F168-L335 HydrophobicContact CG-CG 4.07Å; F168-L335 HydrophobicContact CZ-CB 3.72Å; F168-L335 HydrophobicContact CZ-CD1 4.22Å; F168-L335 HydrophobicContact CZ-CG 4.05Å; A171-L335 HydrophobicContact CB-CD1 3.81Å; V172-L335 HydrophobicContact CG2-CD2 4.32Å; Q331-L335 CarbonylContact O-C 3.6Å; Q331-L335 WeakPolarHBondContact O-CA 3.4Å; Q331-L335 VanDerWaalsContact O-CB 3.32Å; Q331-L335 WeakPolarHBondContact O-CB 3.04Å; Q331-L335 PolarHBondContact O-N 3.32Å; Q331-L335 VanDerWaalsContact O-N 3.09Å; L335-G338 PolarHBondContact O-N 2.96Å; L335-I339 HydrophobicContact CD2-CD1 3.94Å; L335-I339 PolarHBondContact O-N 3.14Å; L335-I339 VanDerWaalsContact O-N 3.1Å
336	W	98.5	Very high	96.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	I	π-helix	trans	-72.7	-41.1	-169.5	-55.2	122.8	0	0	0	112.5	V102 M105 V172 V175 V275 I296 A300 Q331 G338 I339 Q340	V102-W336 HydrophobicContact CG1-CE3 4.1Å; V102-W336 HydrophobicContact CG1-CH2 4.16Å; V102-W336 HydrophobicContact CG1-CZ3 3.47Å; V102-W336 VanDerWaalsContact CG1-CZ3 3.47Å; V102-W336 HydrophobicContact CG2-CZ3 4.48Å; M105-W336 HydrophobicContact CE-CE3 4.11Å; V172-W336 HydrophobicContact CG2-CH2 4.32Å; V172-W336 HydrophobicContact CG2-CZ3 3.98Å; V175-W336 HydrophobicContact CG2-CH2 4.18Å; V275-W336 HydrophobicContact CG2-CZ2 4.09Å; I296-W336 HydrophobicContact CG2-CB 3.98Å; I296-W336 HydrophobicContact CG2-CD2 3.45Å; I296-W336 VanDerWaalsContact CG2-CD2 3.45Å; I296-W336 HydrophobicContact CG2-CE3 4.04Å; I296-W336 HydrophobicContact CG2-CG 3.4Å; A300-W336 HydrophobicContact CB-CB 3.75Å; Q331-W336 PolarHBondContact O-N 3.03Å; W336-G338 VanDerWaalsContact C-N 3.3Å; W336-G338 PolarHBondContact O-N 2.96Å; W336-I339 HydrophobicContact CE3-CD1 4.12Å; W336-I339 HydrophobicContact CZ3-CD1 4.23Å; W336-I339 PolarHBondContact O-N 3.11Å; W336-Q340 PolarHBondContact O-N 2.88Å
337	T	97.7	Very high	96.7	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.031	5%	0.046	C	C	.	.	H	α-helix	trans	-63.4	-38.6	172.5	-64.5	0	0	0	0	111	I309 I332 I339 Q340 W341	I309-T337 HydrophobicContact CB-CG2 4.44Å; I309-T337 HydrophobicContact CG1-CG2 4.27Å; I309-T337 HydrophobicContact CG2-CG2 3.84Å; I332-T337 WeakPolarHBondContact O-CB 3.4Å; I332-T337 PolarHBondContact O-N 3.41Å; I332-T337 PolarHBondContact O-OG1 2.78Å; T337-I339 VanDerWaalsContact C-N 3.35Å; T337-I339 PolarHBondContact O-N 3.4Å; T337-Q340 PolarHBondContact O-N 3.02Å; T337-W341 PolarHBondContact O-N 2.88Å
338	G	96.9	Very high	96.9	Very high	2 Å²	2	7.7 Å²	7.7	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-55.3	-50.1	174.3	0	0	0	0	0	111.4	Y132 L335 W336 G342 A343	Y132-G338 VanDerWaalsContact OH-C 3.32Å; Y132-G338 PolarHBondContact OH-O 3.43Å; L335-G338 PolarHBondContact O-N 2.96Å; W336-G338 VanDerWaalsContact C-N 3.3Å; W336-G338 PolarHBondContact O-N 2.96Å; G338-G342 WeakPolarHBondContact O-CA 3.31Å; G338-G342 PolarHBondContact O-N 3.23Å; G338-A343 PolarHBondContact O-N 2.97Å; G338-A343 VanDerWaalsContact O-N 3.17Å
339	I	98.3	Very high	96.5	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-62	-47.4	176.2	-66	167.1	0	0	0	111.7	M105 F106 A109 Y135 V172 L335 W336 T337 W341	M105-I339 HydrophobicContact CE-CB 4.27Å; M105-I339 HydrophobicContact CE-CG2 4.03Å; F106-I339 HydrophobicContact CB-CG2 3.72Å; F106-I339 HydrophobicContact CD1-CG2 3.73Å; F106-I339 HydrophobicContact CD2-CD1 3.83Å; F106-I339 HydrophobicContact CD2-CG1 4.33Å; F106-I339 HydrophobicContact CD2-CG2 4.13Å; F106-I339 HydrophobicContact CE1-CG2 4.43Å; F106-I339 HydrophobicContact CE2-CD1 3.93Å; F106-I339 HydrophobicContact CE2-CG1 4.29Å; F106-I339 HydrophobicContact CG-CD1 4.4Å; F106-I339 HydrophobicContact CG-CG2 3.59Å; F106-I339 HydrophobicContact CZ-CG1 4.48Å; A109-I339 VanDerWaalsContact CB-O 3.25Å; A109-I339 WeakPolarHBondContact CB-O 3.4Å; Y135-I339 HydrophobicContact CE1-CD1 4.08Å; Y135-I339 HydrophobicContact CE1-CG1 4.04Å; V172-I339 HydrophobicContact CG2-CD1 3.85Å; L335-I339 HydrophobicContact CD2-CD1 3.94Å; L335-I339 PolarHBondContact O-N 3.14Å; L335-I339 VanDerWaalsContact O-N 3.1Å; W336-I339 HydrophobicContact CE3-CD1 4.12Å; W336-I339 HydrophobicContact CZ3-CD1 4.23Å; W336-I339 PolarHBondContact O-N 3.11Å; T337-I339 VanDerWaalsContact C-N 3.35Å; T337-I339 PolarHBondContact O-N 3.4Å; I339-W341 VanDerWaalsContact C-N 3.35Å; I339-W341 PolarHBondContact O-N 3.39Å
340	Q	97.9	Very high	96	Very high	14 Å²	14	12.7 Å²	12.7	7%	0.065	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-34.8	-174.6	177.5	56.4	70.5	0	0	114	Y100 M105 A300 R301 W336 T337	Y100-Q340 PolarHBondContact OH-OE1 3.2Å; M105-Q340 HydrophobicContact CG-CB 4.48Å; M105-Q340 HydrophobicContact SD-CB 4.03Å; A300-Q340 HydrophobicContact CB-CB 4.29Å; R301-Q340 HydrophobicContact CB-CG 3.96Å; R301-Q340 HydrophobicContact CG-CG 4.38Å; R301-Q340 VanDerWaalsContact NH1-NE2 3.1Å; W336-Q340 PolarHBondContact O-N 2.88Å; T337-Q340 PolarHBondContact O-N 3.02Å
341	W	97.4	Very high	95.4	Very high	18 Å²	18	15.8 Å²	15.8	7%	0.068	9%	0.088	C	C	.	.	H	α-helix	trans	-118.9	3.4	-173	-63.4	122.3	0	0	0	114.9	Y113 R301 S304 Q305 I309 P311 A312 T337 I339	Y113-W341 VanDerWaalsContact CE2-C 3.47Å; R301-W341 HydrophobicContact CG-CH2 4.36Å; R301-W341 HydrophobicContact CG-CZ2 3.91Å; S304-W341 PolarHBondContact OG-NE1 3.03Å; Q305-W341 HydrophobicContact CB-CZ2 4.38Å; I309-W341 HydrophobicContact CG2-CB 4.17Å; I309-W341 HydrophobicContact CG2-CG 4.12Å; P311-W341 HydrophobicContact CB-CE3 3.76Å; P311-W341 HydrophobicContact CB-CZ3 4.08Å; P311-W341 HydrophobicContact CG-CE3 3.71Å; P311-W341 HydrophobicContact CG-CZ3 3.67Å; A312-W341 VanDerWaalsContact CB-O 3.29Å; A312-W341 WeakPolarHBondContact CB-O 3.47Å; A312-W341 PolarHBondContact N-O 3.45Å; T337-W341 PolarHBondContact O-N 2.88Å; I339-W341 VanDerWaalsContact C-N 3.35Å; I339-W341 PolarHBondContact O-N 3.39Å
342	G	97.8	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	21.8	177.3	0	0	0	0	0	114.4	Y132 Q316 G338	Y132-G342 VanDerWaalsContact OH-CA 3.23Å; Y132-G342 WeakPolarHBondContact OH-CA 3.03Å; Q316-G342 VanDerWaalsContact CG-O 3.28Å; Q316-G342 WeakPolarHBondContact CG-O 3.3Å; Q316-G342 PolarHBondContact NE2-O 2.73Å; G338-G342 WeakPolarHBondContact O-CA 3.31Å; G338-G342 PolarHBondContact O-N 3.23Å
343	A	98	Very high	93.5	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.041	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-70.3	135.8	-178.7	0	0	0	0	0	113	Y132 E317 G338 V345	Y132-A343 PolarHBondContact OH-N 3.44Å; Y132-A343 PolarHBondContact OH-O 2.83Å; E317-A343 HydrophobicContact CB-CB 3.91Å; E317-A343 CarbonylContact O-C 3.53Å; E317-A343 VanDerWaalsContact O-CA 3.3Å; E317-A343 WeakPolarHBondContact O-CA 3.46Å; G338-A343 PolarHBondContact O-N 2.97Å; G338-A343 VanDerWaalsContact O-N 3.17Å; A343-V345 PolarHBondContact O-N 3.48Å
344	Q	98.3	Very high	92.4	Very high	16 Å²	16	24.8 Å²	24.8	8%	0.075	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.1	172.9	-174.3	-178.8	5.2	0	0	110.7	S117 A118 E317 V318 V319	S117-Q344 PolarHBondContact OG-NE2 2.94Å; A118-Q344 WeakPolarHBondContact O-CA 3.4Å; E317-Q344 PolarHBondContact O-N 3.14Å; V318-Q344 WeakPolarHBondContact CA-O 3.5Å; V318-Q344 HydrophobicContact CG2-CB 4.33Å; V319-Q344 PolarHBondContact N-O 2.93Å
345	V	98.5	Very high	91.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.8	179.2	-173.5	0	0	0	0	109.5	A118 L119 G120 F168 V319 D334 A343 F347	A118-V345 PolarHBondContact O-N 3.37Å; L119-V345 CarbonylContact C-O 3.47Å; L119-V345 WeakPolarHBondContact CA-O 3.49Å; L119-V345 HydrophobicContact CD2-CB 4.1Å; L119-V345 HydrophobicContact CD2-CG2 4.5Å; G120-V345 PolarHBondContact N-O 2.97Å; F168-V345 HydrophobicContact CE1-CG1 4.24Å; F168-V345 HydrophobicContact CE1-CG2 4.3Å; F168-V345 HydrophobicContact CZ-CG1 4Å; V319-V345 HydrophobicContact CG2-CB 4.23Å; V319-V345 HydrophobicContact CG2-CG1 4.22Å; V319-V345 HydrophobicContact CG2-CG2 3.93Å; D334-V345 WeakPolarHBondContact O-CG2 3.46Å; A343-V345 PolarHBondContact O-N 3.48Å; V345-F347 HydrophobicContact CG1-CZ 4.45Å
346	C	98.1	Very high	90.8	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.4	176.9	-67.1	0	0	0	0	110.5	G120 W127 V319 V320 S321 V364	G120-C346 CarbonylContact O-C 3.52Å; G120-C346 VanDerWaalsContact O-CA 3.28Å; G120-C346 WeakPolarHBondContact O-CA 3.43Å; W127-C346 HydrophobicContact CH2-CB 3.97Å; W127-C346 HydrophobicContact CZ3-CB 3.85Å; V319-C346 PolarHBondContact O-N 2.83Å; V320-C346 CarbonylContact C-O 3.51Å; V320-C346 VanDerWaalsContact CA-O 3.26Å; V320-C346 WeakPolarHBondContact CA-O 3.4Å; S321-C346 PolarHBondContact N-O 3.5Å; C346-V364 HydrophobicContact CB-CB 4.41Å; C346-V364 HydrophobicContact CB-CG1 3.78Å; C346-V364 HydrophobicContact CB-CG2 3.67Å
347	F	97	Very high	90.4	Very high	12 Å²	12	29.2 Å²	29.2	5%	0.053	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.8	-179.1	-64.3	-83.7	0	0	0	111.4	L119 G120 F121 N163 S164 P165 F168 V345	L119-F347 HydrophobicContact CB-CE2 4.15Å; L119-F347 HydrophobicContact CD2-CE2 4.15Å; L119-F347 HydrophobicContact CD2-CZ 4.29Å; G120-F347 VanDerWaalsContact O-CD2 3.32Å; G120-F347 WeakPolarHBondContact O-CD2 3.42Å; G120-F347 PolarHBondContact O-N 2.9Å; F121-F347 HydrophobicContact CB-CD2 4.12Å; N163-F347 HydrophobicContact CB-CD1 3.84Å; N163-F347 HydrophobicContact CB-CE1 4.2Å; S164-F347 WeakPolarHBondContact O-CE1 3.49Å; S164-F347 WeakPolarHBondContact O-CZ 3.45Å; P165-F347 HydrophobicContact CB-CE2 4.36Å; P165-F347 HydrophobicContact CG-CD2 3.97Å; P165-F347 HydrophobicContact CG-CE2 3.76Å; F168-F347 HydrophobicContact CD1-CZ 4.38Å; F168-F347 AromaticContact CD2-CE1 3.79Å; F168-F347 HydrophobicContact CD2-CE1 3.79Å; F168-F347 AromaticContact CD2-CZ 3.62Å; F168-F347 HydrophobicContact CD2-CZ 3.62Å; F168-F347 HydrophobicContact CE1-CZ 4.38Å; F168-F347 AromaticContact CE2-CE1 3.55Å; F168-F347 HydrophobicContact CE2-CE1 3.55Å; F168-F347 AromaticContact CE2-CZ 3.66Å; F168-F347 HydrophobicContact CE2-CZ 3.66Å; F168-F347 HydrophobicContact CG-CZ 4.01Å; F168-F347 HydrophobicContact CZ-CE1 4.18Å; F168-F347 HydrophobicContact CZ-CZ 4.05Å; V345-F347 HydrophobicContact CG1-CZ 4.45Å
348	A	94.5	Very high	89.9	Confident	14 Å²	14	30.5 Å²	30.5	12%	0.116	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-82	163.2	171	0	0	0	0	0	111.6	V320 S321 A352 L357 T360	V320-A348 HydrophobicContact CG1-CB 3.86Å; S321-A348 PolarHBondContact O-N 3.2Å; A348-A352 HydrophobicContact CB-CB 3.82Å; A348-L357 HydrophobicContact CB-CD1 4.46Å; A348-T360 HydrophobicContact CB-CG2 4.01Å
349	D	87.1	Confident	89.6	Confident	53 Å²	53	34 Å²	34	28%	0.283	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-63.9	149.4	175	-60.3	-51.1	0	0	0	110.7	D351 A352	D349-D351 VanDerWaalsContact CB-OD1 3.25Å; D349-D351 WeakPolarHBondContact CB-OD1 3.14Å; D349-D351 PolarHBondContact O-N 3.2Å; D349-A352 VanDerWaalsContact O-CB 3.24Å; D349-A352 WeakPolarHBondContact O-CB 3.38Å; D349-A352 PolarHBondContact O-N 2.79Å
350	P	81.7	Confident	89.4	Confident	78 Å²	78	33.9 Å²	33.9	51%	0.506	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.9	-178.4	-27.4	35.5	0	0	0	114.9	F162	F162-P350 HydrophobicContact CD1-CB 4.42Å; F162-P350 HydrophobicContact CD2-CB 4.14Å; F162-P350 HydrophobicContact CE2-CB 4.46Å; F162-P350 HydrophobicContact CG-CB 4.12Å
351	D	80.8	Confident	89.3	Confident	67 Å²	67	33.2 Å²	33.2	36%	0.358	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13.4	176.7	68.4	-15.5	0	0	0	113.7	D349 L353 K354 T356	D349-D351 VanDerWaalsContact CB-OD1 3.25Å; D349-D351 WeakPolarHBondContact CB-OD1 3.14Å; D349-D351 PolarHBondContact O-N 3.2Å; D351-L353 VanDerWaalsContact C-N 3.28Å; D351-L353 PolarHBondContact O-N 3.4Å; D351-L353 VanDerWaalsContact O-N 3.12Å; D351-K354 HydrophobicContact CB-CB 4.35Å; D351-K354 HydrophobicContact CB-CD 4.34Å; D351-K354 WeakPolarHBondContact O-CA 3.29Å; D351-K354 VanDerWaalsContact O-CB 3.26Å; D351-K354 WeakPolarHBondContact O-CB 3.18Å; D351-K354 PolarHBondContact O-N 3.29Å; D351-T356 VanDerWaalsContact CG-OG1 3.28Å; D351-T356 PolarHBondContact O-OG1 3Å; D351-T356 WeakPolarHBondContact OD1-CB 3.23Å; D351-T356 WeakPolarHBondContact OD1-CG2 3.33Å; D351-T356 PolarHBondContact OD1-OG1 3.09Å; D351-T356 WeakPolarHBondContact OD2-CG2 3.25Å
352	A	82.8	Confident	89.1	Confident	6 Å²	6	38.4 Å²	38.4	5%	0.05	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-46.2	-47.9	-178.7	0	0	0	0	0	113.3	A348 D349 K354 G355 T356 L357	A348-A352 HydrophobicContact CB-CB 3.82Å; D349-A352 VanDerWaalsContact O-CB 3.24Å; D349-A352 WeakPolarHBondContact O-CB 3.38Å; D349-A352 PolarHBondContact O-N 2.79Å; A352-K354 PolarHBondContact O-N 2.82Å; A352-G355 PolarHBondContact O-N 3.07Å; A352-T356 VanDerWaalsContact CA-OG1 3.23Å; A352-T356 WeakPolarHBondContact CA-OG1 3.15Å; A352-T356 PolarHBondContact N-OG1 3.43Å; A352-L357 HydrophobicContact CB-CB 4.09Å; A352-L357 HydrophobicContact CB-CD1 4.34Å; A352-L357 VanDerWaalsContact O-CB 3.26Å; A352-L357 WeakPolarHBondContact O-CB 3.44Å; A352-L357 PolarHBondContact O-N 3.14Å; A352-L357 VanDerWaalsContact O-N 3.15Å
353	L	72.7	Confident	88.9	Confident	87 Å²	87	43.1 Å²	43.1	46%	0.455	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-70.7	-13.2	-179.7	-65.5	176.9	0	0	0	114.1	Y322 D351 V375 K378	Y322-L353 HydrophobicContact CD2-CD2 3.77Å; Y322-L353 HydrophobicContact CD2-CG 4.37Å; Y322-L353 HydrophobicContact CE2-CD2 3.75Å; D351-L353 VanDerWaalsContact C-N 3.28Å; D351-L353 PolarHBondContact O-N 3.4Å; D351-L353 VanDerWaalsContact O-N 3.12Å; L353-V375 HydrophobicContact CD2-CG2 4.01Å; L353-K378 PolarHBondContact O-NZ 3.02Å
354	K	73.2	Confident	88.7	Confident	130 Å²	130	44 Å²	44	57%	0.565	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-90.1	-2.7	174.6	-55.8	-170.5	176.5	-163.6	0	113.4	D351 A352 E617	D351-K354 HydrophobicContact CB-CB 4.35Å; D351-K354 HydrophobicContact CB-CD 4.34Å; D351-K354 WeakPolarHBondContact O-CA 3.29Å; D351-K354 VanDerWaalsContact O-CB 3.26Å; D351-K354 WeakPolarHBondContact O-CB 3.18Å; D351-K354 PolarHBondContact O-N 3.29Å; A352-K354 PolarHBondContact O-N 2.82Å; K354-E617 PolarHBondContact NZ-O 2.8Å
355	G	74.3	Confident	88.6	Confident	54 Å²	54	45.9 Å²	45.9	56%	0.557	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	132.7	-11.3	169.5	0	0	0	0	0	115.2	A352 L357	A352-G355 PolarHBondContact O-N 3.07Å; G355-L357 VanDerWaalsContact C-N 3.32Å; G355-L357 PolarHBondContact O-N 2.79Å
356	T	86	Confident	88.6	Confident	28 Å²	28	45.8 Å²	45.8	17%	0.172	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.2	-179.2	57.5	0	0	0	0	113.5	D351 A352 V358 N359 T360	D351-T356 VanDerWaalsContact CG-OG1 3.28Å; D351-T356 PolarHBondContact O-OG1 3Å; D351-T356 WeakPolarHBondContact OD1-CB 3.23Å; D351-T356 WeakPolarHBondContact OD1-CG2 3.33Å; D351-T356 PolarHBondContact OD1-OG1 3.09Å; D351-T356 WeakPolarHBondContact OD2-CG2 3.25Å; A352-T356 VanDerWaalsContact CA-OG1 3.23Å; A352-T356 WeakPolarHBondContact CA-OG1 3.15Å; A352-T356 PolarHBondContact N-OG1 3.43Å; T356-V358 PolarHBondContact O-N 3.47Å; T356-V358 VanDerWaalsContact O-N 3.14Å; T356-N359 VanDerWaalsContact O-CB 3.28Å; T356-N359 WeakPolarHBondContact O-CB 3.4Å; T356-N359 PolarHBondContact O-N 3.08Å; T356-T360 PolarHBondContact O-N 3.05Å
357	L	88.6	Confident	88.5	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.068	25%	0.25	C	C	.	.	H	α-helix	trans	-51.2	-42.6	-179.9	178.5	61	0	0	0	112.7	V320 Y322 A348 A352 G355 N359 T360 L361 V375	V320-L357 HydrophobicContact CG1-CD1 4.17Å; Y322-L357 HydrophobicContact CD1-CD1 3.96Å; Y322-L357 HydrophobicContact CD2-CD1 4.26Å; Y322-L357 HydrophobicContact CD2-CD2 4.14Å; Y322-L357 HydrophobicContact CE1-CD1 4.39Å; Y322-L357 HydrophobicContact CE1-CD2 4.45Å; Y322-L357 HydrophobicContact CE2-CD2 3.85Å; Y322-L357 HydrophobicContact CG-CD1 3.9Å; A348-L357 HydrophobicContact CB-CD1 4.46Å; A352-L357 HydrophobicContact CB-CB 4.09Å; A352-L357 HydrophobicContact CB-CD1 4.34Å; A352-L357 VanDerWaalsContact O-CB 3.26Å; A352-L357 WeakPolarHBondContact O-CB 3.44Å; A352-L357 PolarHBondContact O-N 3.14Å; A352-L357 VanDerWaalsContact O-N 3.15Å; G355-L357 VanDerWaalsContact C-N 3.32Å; G355-L357 PolarHBondContact O-N 2.79Å; L357-N359 PolarHBondContact O-N 3.22Å; L357-T360 PolarHBondContact O-N 2.73Å; L357-L361 HydrophobicContact CD1-CD2 4.47Å; L357-L361 HydrophobicContact CD1-CG 4.2Å; L357-L361 HydrophobicContact CG-CD1 3.99Å; L357-L361 HydrophobicContact CG-CG 4.16Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.89Å; L357-V375 HydrophobicContact CD2-CG1 3.95Å
358	V	88.9	Confident	88.5	Confident	32 Å²	32	45.8 Å²	45.8	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-30.5	-179.6	177.4	0	0	0	0	111.9	T356 L361 R362	T356-V358 PolarHBondContact O-N 3.47Å; T356-V358 VanDerWaalsContact O-N 3.14Å; V358-L361 PolarHBondContact O-N 3.33Å; V358-R362 VanDerWaalsContact O-CG 3.28Å; V358-R362 WeakPolarHBondContact O-CG 3.37Å; V358-R362 PolarHBondContact O-N 3.34Å
359	N	90.8	Very high	88.6	Confident	75 Å²	75	45.1 Å²	45.1	40%	0.401	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-48.1	175.8	-60.2	-26.9	0	0	0	110.3	T356 L357 L361 R362 E363	T356-N359 VanDerWaalsContact O-CB 3.28Å; T356-N359 WeakPolarHBondContact O-CB 3.4Å; T356-N359 PolarHBondContact O-N 3.08Å; L357-N359 PolarHBondContact O-N 3.22Å; N359-L361 VanDerWaalsContact C-N 3.33Å; N359-L361 PolarHBondContact O-N 3.42Å; N359-R362 PolarHBondContact O-N 3.22Å; N359-E363 WeakPolarHBondContact O-CG 3.35Å; N359-E363 PolarHBondContact O-N 3.44Å; N359-E363 VanDerWaalsContact O-N 3.11Å
360	T	93.5	Very high	88.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-44.3	174.3	-45.3	0	0	0	0	111.4	W127 V320 A348 T356 L357 R362 E363 V364	W127-T360 HydrophobicContact CH2-CG2 4.18Å; W127-T360 HydrophobicContact CZ2-CG2 4.31Å; V320-T360 HydrophobicContact CG1-CG2 3.91Å; V320-T360 HydrophobicContact CG2-CG2 4.41Å; A348-T360 HydrophobicContact CB-CG2 4.01Å; T356-T360 PolarHBondContact O-N 3.05Å; L357-T360 PolarHBondContact O-N 2.73Å; T360-R362 VanDerWaalsContact C-N 3.31Å; T360-R362 PolarHBondContact O-N 2.99Å; T360-E363 PolarHBondContact O-N 3.38Å; T360-V364 HydrophobicContact CG2-CG2 4Å; T360-V364 WeakPolarHBondContact O-CB 3.38Å; T360-V364 WeakPolarHBondContact O-CG2 3.34Å; T360-V364 PolarHBondContact O-N 3.43Å
361	L	94.5	Very high	89.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-39.7	178.1	-67.3	175	0	0	0	112.1	V320 L357 V358 N359 E365 P366 L437 G438 F439	V320-L361 HydrophobicContact CB-CD2 4.27Å; V320-L361 HydrophobicContact CG2-CD2 4Å; L357-L361 HydrophobicContact CD1-CD2 4.47Å; L357-L361 HydrophobicContact CD1-CG 4.2Å; L357-L361 HydrophobicContact CG-CD1 3.99Å; L357-L361 HydrophobicContact CG-CG 4.16Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.46Å; L357-L361 PolarHBondContact O-N 2.89Å; V358-L361 PolarHBondContact O-N 3.33Å; N359-L361 VanDerWaalsContact C-N 3.33Å; N359-L361 PolarHBondContact O-N 3.42Å; L361-E365 WeakPolarHBondContact O-CA 3.48Å; L361-E365 PolarHBondContact O-N 2.94Å; L361-P366 HydrophobicContact CD2-CG 3.7Å; L361-P366 WeakPolarHBondContact O-CD 3.15Å; L361-L437 WeakPolarHBondContact CB-O 3.43Å; L361-G438 WeakPolarHBondContact O-CA 3.42Å; L361-F439 HydrophobicContact CD1-CE1 4.29Å; L361-F439 HydrophobicContact CD1-CE2 4.28Å; L361-F439 HydrophobicContact CD1-CZ 3.8Å; L361-F439 HydrophobicContact CD2-CE1 4.5Å
362	R	93.5	Very high	89.5	Confident	127 Å²	127	38.5 Å²	38.5	48%	0.479	20%	0.203	S	C	.	.	H	α-helix	trans	-67.7	-36.6	177.4	-75.7	172.6	-175.8	165.5	3.4	113.3	V358 N359 T360 E365 A436	V358-R362 VanDerWaalsContact O-CG 3.28Å; V358-R362 WeakPolarHBondContact O-CG 3.37Å; V358-R362 PolarHBondContact O-N 3.34Å; N359-R362 PolarHBondContact O-N 3.22Å; T360-R362 VanDerWaalsContact C-N 3.31Å; T360-R362 PolarHBondContact O-N 2.99Å; R362-E365 WeakPolarHBondContact O-CG 3.19Å; R362-A436 PolarHBondContact NE-O 3.31Å; R362-A436 PolarHBondContact NH2-O 3Å
363	E	94.1	Very high	89.4	Confident	99 Å²	99	38.6 Å²	38.6	46%	0.463	20%	0.203	S	C	.	.	H	α-helix	trans	-77.3	-39.9	-179.7	-69.8	177.3	-148	0	0	112.4	K122 W127 N359 T360	K122-E363 WeakPolarHBondContact CE-OE2 3.49Å; K122-E363 IonicContact NZ-OE1 3.14Å; K122-E363 PolarHBondContact NZ-OE1 3.02Å; K122-E363 IonicContact NZ-OE2 2.75Å; K122-E363 PolarHBondContact NZ-OE2 3.32Å; W127-E363 PolarHBondContact NE1-OE2 3.38Å; N359-E363 WeakPolarHBondContact O-CG 3.35Å; N359-E363 PolarHBondContact O-N 3.44Å; N359-E363 VanDerWaalsContact O-N 3.11Å; T360-E363 PolarHBondContact O-N 3.38Å
364	V	94.9	Very high	89.7	Confident	24 Å²	24	37 Å²	37	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-82.9	-33.2	-176.6	174.3	0	0	0	0	111.8	W127 V318 V320 C346 T360	W127-V364 HydrophobicContact CH2-CG2 3.53Å; W127-V364 HydrophobicContact CZ2-CG2 3.5Å; W127-V364 HydrophobicContact CZ3-CG2 4.37Å; V318-V364 HydrophobicContact CG1-CG1 3.48Å; V318-V364 VanDerWaalsContact CG1-CG1 3.48Å; V320-V364 HydrophobicContact CG2-CB 4.01Å; V320-V364 HydrophobicContact CG2-CG1 3.81Å; V320-V364 HydrophobicContact CG2-CG2 4.3Å; C346-V364 HydrophobicContact CB-CB 4.41Å; C346-V364 HydrophobicContact CB-CG1 3.78Å; C346-V364 HydrophobicContact CB-CG2 3.67Å; T360-V364 HydrophobicContact CG2-CG2 4Å; T360-V364 WeakPolarHBondContact O-CB 3.38Å; T360-V364 WeakPolarHBondContact O-CG2 3.34Å; T360-V364 PolarHBondContact O-N 3.43Å
365	E	95.7	Very high	90.2	Very high	55 Å²	55	31.4 Å²	31.4	26%	0.257	17%	0.167	S	C	.	.			trans	47.1	64	-171.9	-59.5	-171.5	113.2	0	0	112.5	L361 R362 K441	L361-E365 WeakPolarHBondContact O-CA 3.48Å; L361-E365 PolarHBondContact O-N 2.94Å; R362-E365 WeakPolarHBondContact O-CG 3.19Å; E365-K441 HydrophobicContact CB-CD 3.99Å; E365-K441 HydrophobicContact CB-CG 4.47Å; E365-K441 VanDerWaalsContact OE2-CE 3.31Å; E365-K441 WeakPolarHBondContact OE2-CE 3.02Å; E365-K441 IonicContact OE2-NZ 3.01Å; E365-K441 PolarHBondContact OE2-NZ 2.83Å
366	P	97.1	Very high	90.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.			trans	-58.7	148.3	-174.7	25.7	-35	0	0	0	112.4	V318 V320 L361 K441 C442	V318-P366 CarbonylContact O-C 3.45Å; V318-P366 VanDerWaalsContact O-CA 3.28Å; V318-P366 WeakPolarHBondContact O-CA 3.05Å; V318-P366 VanDerWaalsContact O-CB 3.23Å; V318-P366 WeakPolarHBondContact O-CB 3.35Å; V320-P366 HydrophobicContact CG2-CB 4.28Å; V320-P366 HydrophobicContact CG2-CG 4.2Å; L361-P366 HydrophobicContact CD2-CG 3.7Å; L361-P366 WeakPolarHBondContact O-CD 3.15Å; P366-K441 CarbonylContact O-C 3.54Å; P366-C442 WeakPolarHBondContact O-CA 3.47Å; P366-C442 VanDerWaalsContact O-CB 3.25Å; P366-C442 WeakPolarHBondContact O-CB 3.16Å; P366-C442 PolarHBondContact O-N 3.22Å
367	T	97.1	Very high	90.6	Very high	19 Å²	19	29 Å²	29	12%	0.117	14%	0.14	C	C	.	.	S	Bend	trans	-87	-23.8	172.2	60.3	0	0	0	0	111.9	E317 V318 K441 C442 Q443 K444	E317-T367 VanDerWaalsContact CA-OG1 3.31Å; E317-T367 WeakPolarHBondContact CA-OG1 3.24Å; E317-T367 VanDerWaalsContact OE2-CB 3.25Å; E317-T367 WeakPolarHBondContact OE2-CB 3.43Å; E317-T367 PolarHBondContact OE2-OG1 3.08Å; V318-T367 PolarHBondContact N-OG1 3.38Å; V318-T367 PolarHBondContact O-N 2.87Å; V318-T367 PolarHBondContact O-OG1 2.78Å; T367-K441 WeakPolarHBondContact CA-O 3.34Å; T367-C442 CarbonylContact O-C 3.56Å; T367-C442 WeakPolarHBondContact O-CA 3.46Å; T367-Q443 PolarHBondContact O-N 3.01Å; T367-K444 PolarHBondContact O-N 2.92Å
368	S	96.5	Very high	90.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.5	177.4	-173.4	0	0	0	0	110.6	V318 Y333 K444 F446	V318-S368 PolarHBondContact O-N 3.05Å; Y333-S368 VanDerWaalsContact OH-CB 3.26Å; Y333-S368 WeakPolarHBondContact OH-CB 3.4Å; Y333-S368 PolarHBondContact OH-O 3.33Å; Y333-S368 VanDerWaalsContact OH-O 3.07Å; Y333-S368 PolarHBondContact OH-OG 3.2Å; S368-K444 CarbonylContact C-O 3.45Å; S368-K444 VanDerWaalsContact CA-O 3.29Å; S368-K444 WeakPolarHBondContact CA-O 3.36Å; S368-K444 WeakPolarHBondContact OG-CB 3.12Å; S368-K444 PolarHBondContact OG-O 3.01Å; S368-F446 WeakPolarHBondContact OG-CE2 3.5Å
369	H	96.3	Very high	90.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.6	-178.7	-175	71.2	0	0	0	111.2	Y322 Y333 W376 F439 K444 N445 F446	Y322-H369 AromaticContact CE1-CE1 3.44Å; Y322-H369 VanDerWaalsContact CE1-CE1 3.44Å; Y322-H369 WeakPolarHBondContact CE1-CE1 3.31Å; Y322-H369 AromaticContact CZ-CE1 3.88Å; Y333-H369 PolarHBondContact OH-N 3.44Å; Y333-H369 VanDerWaalsContact OH-N 3.16Å; H369-W376 AromaticContact CD2-CH2 3.72Å; H369-W376 AromaticContact CD2-CZ2 3.67Å; H369-F439 HydrophobicContact CB-CE1 3.78Å; H369-F439 AromaticContact CD2-CE1 3.7Å; H369-F439 AromaticContact CD2-CZ 3.77Å; H369-F439 AromaticContact CG-CE1 3.69Å; H369-K444 PolarHBondContact N-O 2.88Å; H369-N445 CarbonylContact O-C 3.57Å; H369-N445 WeakPolarHBondContact O-CA 3.02Å; H369-F446 PolarHBondContact O-N 3.48Å
370	M	93.5	Very high	89.8	Confident	24 Å²	24	27.4 Å²	27.4	12%	0.118	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.3	175	175.5	59.1	174.5	0	0	109.3	Y322 L323 Y333 F446	Y322-M370 VanDerWaalsContact CE1-O 3.32Å; Y322-M370 WeakPolarHBondContact CE1-O 3.31Å; Y322-M370 PolarHBondContact OH-O 3.07Å; L323-M370 HydrophobicContact CD1-CB 4.43Å; L323-M370 HydrophobicContact CD1-CG 3.84Å; Y333-M370 HydrophobicContact CD1-CB 3.61Å; Y333-M370 HydrophobicContact CD1-CG 4.35Å; Y333-M370 HydrophobicContact CD2-CB 4.22Å; Y333-M370 HydrophobicContact CE1-CB 3.51Å; Y333-M370 HydrophobicContact CE2-CB 4.11Å; Y333-M370 HydrophobicContact CG-CB 3.98Å; Y333-M370 HydrophobicContact CG-CG 4.4Å; M370-F446 HydrophobicContact CB-CB 4.3Å; M370-F446 HydrophobicContact CG-CB 4.44Å; M370-F446 HydrophobicContact SD-CB 3.34Å; M370-F446 WeakPolarHBondContact SD-CB 3.12Å
371	G	89.8	Confident	89.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.8	175.6	0	0	0	0	0	113.7	Y322 F446 Y447	Y322-G371 WeakPolarHBondContact OH-CA 3.41Å; G371-F446 PolarHBondContact N-O 3.16Å; G371-Y447 WeakPolarHBondContact O-CA 3.41Å; G371-Y447 VanDerWaalsContact O-CB 3.29Å; G371-Y447 WeakPolarHBondContact O-CB 3.38Å
372	V	85.3	Confident	88.7	Confident	34 Å²	34	36.3 Å²	36.3	21%	0.206	16%	0.163	C	C	.	.			trans	-73.5	157.3	168.3	-62.4	0	0	0	0	110	L323 R374 V375 A449	L323-V372 HydrophobicContact CD2-CG1 4.37Å; V372-R374 PolarHBondContact O-N 2.9Å; V372-R374 VanDerWaalsContact O-N 3.1Å; V372-V375 HydrophobicContact CG2-CG2 3.8Å; V372-V375 WeakPolarHBondContact O-CB 3.5Å; V372-V375 PolarHBondContact O-N 3.24Å; V372-A449 HydrophobicContact CG1-CB 4.28Å
373	P	81.9	Confident	88.3	Confident	8 Å²	8	31 Å²	31	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-46.6	-43.7	-179.1	-32.5	36	0	0	0	114.9	V375 W376 E377 G448 A450 P451 M452	P373-V375 PolarHBondContact O-N 2.83Å; P373-W376 PolarHBondContact O-N 3.3Å; P373-W376 VanDerWaalsContact O-N 3.08Å; P373-E377 WeakPolarHBondContact O-CG 3.34Å; P373-E377 PolarHBondContact O-N 3.17Å; P373-G448 WeakPolarHBondContact CD-O 3.49Å; P373-A450 HydrophobicContact CG-CB 4.01Å; P373-A450 VanDerWaalsContact CG-O 3.26Å; P373-A450 WeakPolarHBondContact CG-O 3.39Å; P373-P451 VanDerWaalsContact CG-O 3.23Å; P373-P451 WeakPolarHBondContact CG-O 3.46Å; P373-M452 HydrophobicContact CB-CE 3.99Å; P373-M452 HydrophobicContact CB-SD 3.84Å; P373-M452 HydrophobicContact CG-CB 4.39Å; P373-M452 HydrophobicContact CG-CE 4.19Å; P373-M452 HydrophobicContact CG-SD 4.45Å
374	R	77.7	Confident	87.8	Confident	55 Å²	55	28.9 Å²	28.9	21%	0.208	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-32.3	179	-171.9	66.5	-167.8	137.3	7.5	113.9	V372 E377 K378 E381 M697	V372-R374 PolarHBondContact O-N 2.9Å; V372-R374 VanDerWaalsContact O-N 3.1Å; R374-E377 IonicContact NH1-OE2 2.83Å; R374-E377 PolarHBondContact NH1-OE2 3.05Å; R374-K378 WeakPolarHBondContact O-CB 3.5Å; R374-K378 WeakPolarHBondContact O-CG 3.36Å; R374-K378 PolarHBondContact O-N 3.21Å; R374-E381 IonicContact CZ-OE1 3.69Å; R374-E381 IonicContact CZ-OE2 2.94Å; R374-E381 IonicContact NH1-OE1 3.92Å; R374-E381 PolarHBondContact NH1-OE1 2.88Å; R374-E381 IonicContact NH1-OE2 3.91Å; R374-E381 IonicContact NH2-OE1 2.81Å; R374-E381 IonicContact NH2-OE2 2.89Å; R374-E381 PolarHBondContact NH2-OE2 3.08Å; R374-E381 VanDerWaalsContact NH2-OE2 3.16Å; R374-M697 HydrophobicContact CB-CE 4.47Å; R374-M697 HydrophobicContact CG-CE 4.11Å
375	V	83.7	Confident	87.1	Confident	12 Å²	12	30.7 Å²	30.7	7%	0.073	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-46.6	177.2	175.2	0	0	0	0	109.9	Y322 L353 L357 V372 P373 K378 I379	Y322-V375 HydrophobicContact CE2-CG1 4.46Å; Y322-V375 HydrophobicContact CE2-CG2 3.99Å; L353-V375 HydrophobicContact CD2-CG2 4.01Å; L357-V375 HydrophobicContact CD2-CG1 3.95Å; V372-V375 HydrophobicContact CG2-CG2 3.8Å; V372-V375 WeakPolarHBondContact O-CB 3.5Å; V372-V375 PolarHBondContact O-N 3.24Å; P373-V375 PolarHBondContact O-N 2.83Å; V375-K378 PolarHBondContact O-N 3.45Å; V375-I379 HydrophobicContact CG1-CD1 4.06Å; V375-I379 WeakPolarHBondContact O-CG1 3.48Å; V375-I379 PolarHBondContact O-N 3.3Å
376	W	87	Confident	86.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-41.8	177	-66.9	107.6	0	0	0	112	H369 P373 I379 M380 F439 N445 F446 M452 T456 F460 L467	H369-W376 AromaticContact CD2-CH2 3.72Å; H369-W376 AromaticContact CD2-CZ2 3.67Å; P373-W376 PolarHBondContact O-N 3.3Å; P373-W376 VanDerWaalsContact O-N 3.08Å; W376-I379 HydrophobicContact CE3-CD1 4.29Å; W376-I379 PolarHBondContact O-N 3.17Å; W376-M380 PolarHBondContact O-N 2.88Å; W376-F439 HydrophobicContact CH2-CE1 4.34Å; W376-F439 HydrophobicContact CH2-CZ 4.1Å; W376-F439 HydrophobicContact CZ3-CE2 4.25Å; W376-F439 HydrophobicContact CZ3-CZ 4.03Å; W376-N445 HydrophobicContact CH2-CB 3.62Å; W376-N445 HydrophobicContact CZ2-CB 3.92Å; W376-F446 PolarHBondContact NE1-O 3.49Å; W376-M452 HydrophobicContact CB-CE 3.85Å; W376-M452 HydrophobicContact CB-SD 4.4Å; W376-M452 HydrophobicContact CG-CE 3.88Å; W376-T456 HydrophobicContact CB-CG2 4.12Å; W376-F460 HydrophobicContact CB-CE2 3.87Å; W376-F460 HydrophobicContact CB-CZ 4.32Å; W376-F460 HydrophobicContact CE3-CD1 4.14Å; W376-F460 HydrophobicContact CE3-CD2 4.43Å; W376-F460 AromaticContact CE3-CE1 3.69Å; W376-F460 HydrophobicContact CE3-CE1 3.69Å; W376-F460 HydrophobicContact CE3-CE2 4.02Å; W376-F460 AromaticContact CE3-CZ 3.64Å; W376-F460 HydrophobicContact CE3-CZ 3.64Å; W376-F460 HydrophobicContact CZ3-CD1 4.29Å; W376-F460 AromaticContact CZ3-CE1 4Å; W376-F460 HydrophobicContact CZ3-CE1 4Å; W376-F460 HydrophobicContact CZ3-CZ 4.39Å; W376-F460 VanDerWaalsContact O-CE2 3.24Å; W376-F460 WeakPolarHBondContact O-CE2 3.32Å; W376-F460 VanDerWaalsContact O-CZ 3.26Å; W376-F460 WeakPolarHBondContact O-CZ 3.34Å; W376-L467 HydrophobicContact CD2-CD1 4.29Å; W376-L467 HydrophobicContact CD2-CD2 3.74Å; W376-L467 HydrophobicContact CE3-CD2 3.71Å; W376-L467 HydrophobicContact CG-CD1 4.29Å; W376-L467 HydrophobicContact CH2-CD2 3.73Å; W376-L467 HydrophobicContact CZ2-CD2 3.72Å; W376-L467 HydrophobicContact CZ3-CD2 3.71Å
377	E	81.7	Confident	85.5	Confident	32 Å²	32	32.2 Å²	32.2	15%	0.15	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-46.8	174	-70.5	168.5	177.2	0	0	112	P373 R374 I379 M380 E381 T456	P373-E377 WeakPolarHBondContact O-CG 3.34Å; P373-E377 PolarHBondContact O-N 3.17Å; R374-E377 IonicContact NH1-OE2 2.83Å; R374-E377 PolarHBondContact NH1-OE2 3.05Å; E377-I379 VanDerWaalsContact C-N 3.3Å; E377-I379 PolarHBondContact O-N 2.81Å; E377-M380 WeakPolarHBondContact O-CA 3.44Å; E377-M380 WeakPolarHBondContact O-CB 3.2Å; E377-M380 PolarHBondContact O-N 3Å; E377-M380 VanDerWaalsContact O-N 3.12Å; E377-E381 WeakPolarHBondContact O-CB 3.41Å; E377-E381 VanDerWaalsContact O-CG 3.29Å; E377-E381 WeakPolarHBondContact O-CG 3.37Å; E377-E381 PolarHBondContact O-N 3.06Å; E377-T456 HydrophobicContact CG-CG2 4.3Å
378	K	80	Confident	84.5	Confident	70 Å²	70	33.1 Å²	33.1	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-60.1	-39.8	175.5	-80.8	-171.4	173	-167.9	0	112.4	L353 R374 V375 R382	L353-K378 PolarHBondContact O-NZ 3.02Å; R374-K378 WeakPolarHBondContact O-CB 3.5Å; R374-K378 WeakPolarHBondContact O-CG 3.36Å; R374-K378 PolarHBondContact O-N 3.21Å; V375-K378 PolarHBondContact O-N 3.45Å; K378-R382 WeakPolarHBondContact O-CB 3.3Å; K378-R382 PolarHBondContact O-N 3.21Å
379	I	87.3	Confident	83.7	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-44.3	175.1	-69.2	163.3	0	0	0	110.1	V375 W376 E377 R382 I383 L437 F439 F460	V375-I379 HydrophobicContact CG1-CD1 4.06Å; V375-I379 WeakPolarHBondContact O-CG1 3.48Å; V375-I379 PolarHBondContact O-N 3.3Å; W376-I379 HydrophobicContact CE3-CD1 4.29Å; W376-I379 PolarHBondContact O-N 3.17Å; E377-I379 VanDerWaalsContact C-N 3.3Å; E377-I379 PolarHBondContact O-N 2.81Å; I379-R382 PolarHBondContact O-N 3.42Å; I379-I383 HydrophobicContact CG2-CD1 3.77Å; I379-I383 WeakPolarHBondContact O-CD1 3.25Å; I379-I383 WeakPolarHBondContact O-CG1 3.4Å; I379-I383 PolarHBondContact O-N 3.41Å; I379-L437 HydrophobicContact CG2-CD1 4.32Å; I379-L437 HydrophobicContact CG2-CD2 4.05Å; I379-F439 HydrophobicContact CD1-CE2 4.13Å; I379-F439 HydrophobicContact CD1-CZ 4.22Å; I379-F460 HydrophobicContact CB-CZ 4.03Å; I379-F460 HydrophobicContact CG2-CE1 3.91Å; I379-F460 HydrophobicContact CG2-CZ 3.77Å
380	M	85.6	Confident	82.9	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.025	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-51.7	175.4	172.3	-179.4	83.7	0	0	111.9	W376 E377 R382 I383 Q384 T456 F459 F460	W376-M380 PolarHBondContact O-N 2.88Å; E377-M380 WeakPolarHBondContact O-CA 3.44Å; E377-M380 WeakPolarHBondContact O-CB 3.2Å; E377-M380 PolarHBondContact O-N 3Å; E377-M380 VanDerWaalsContact O-N 3.12Å; M380-R382 VanDerWaalsContact C-N 3.28Å; M380-R382 PolarHBondContact O-N 2.92Å; M380-I383 PolarHBondContact O-N 3.49Å; M380-I383 VanDerWaalsContact O-N 3.13Å; M380-Q384 WeakPolarHBondContact O-CG 3.03Å; M380-Q384 PolarHBondContact O-N 2.98Å; M380-T456 HydrophobicContact SD-CG2 4.46Å; M380-F459 HydrophobicContact CB-CD1 3.79Å; M380-F459 HydrophobicContact CB-CE1 3.76Å; M380-F459 HydrophobicContact CB-CG 4.37Å; M380-F459 HydrophobicContact CB-CZ 4.32Å; M380-F459 HydrophobicContact CG-CB 4.32Å; M380-F459 HydrophobicContact CG-CD1 3.5Å; M380-F459 VanDerWaalsContact CG-CD1 3.5Å; M380-F459 HydrophobicContact CG-CD2 3.79Å; M380-F459 HydrophobicContact CG-CE1 3.62Å; M380-F459 HydrophobicContact CG-CE2 3.9Å; M380-F459 HydrophobicContact CG-CG 3.59Å; M380-F459 HydrophobicContact CG-CZ 3.83Å; M380-F459 HydrophobicContact SD-CB 3.71Å; M380-F459 HydrophobicContact SD-CD1 3.99Å; M380-F459 HydrophobicContact SD-CD2 4.06Å; M380-F459 HydrophobicContact SD-CG 3.65Å; M380-F460 HydrophobicContact CB-CE2 4.07Å; M380-F460 HydrophobicContact CB-CZ 4.29Å
381	E	81.9	Confident	82.3	Confident	60 Å²	60	41.7 Å²	41.7	28%	0.28	22%	0.22	S	C	.	.	H	α-helix	trans	-53.5	-46.7	177.5	-72.5	163.6	-170.2	0	0	110.5	R374 E377 I383 Q384 E385	R374-E381 IonicContact CZ-OE1 3.69Å; R374-E381 IonicContact CZ-OE2 2.94Å; R374-E381 IonicContact NH1-OE1 3.92Å; R374-E381 PolarHBondContact NH1-OE1 2.88Å; R374-E381 IonicContact NH1-OE2 3.91Å; R374-E381 IonicContact NH2-OE1 2.81Å; R374-E381 IonicContact NH2-OE2 2.89Å; R374-E381 PolarHBondContact NH2-OE2 3.08Å; R374-E381 VanDerWaalsContact NH2-OE2 3.16Å; E377-E381 WeakPolarHBondContact O-CB 3.41Å; E377-E381 VanDerWaalsContact O-CG 3.29Å; E377-E381 WeakPolarHBondContact O-CG 3.37Å; E377-E381 PolarHBondContact O-N 3.06Å; E381-I383 PolarHBondContact O-N 3.5Å; E381-Q384 PolarHBondContact O-N 3.09Å; E381-E385 WeakPolarHBondContact O-CB 3.25Å; E381-E385 PolarHBondContact O-N 3.12Å
382	R	81.9	Confident	81.9	Confident	128 Å²	128	48.8 Å²	48.8	48%	0.483	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-39.3	178.8	-175.8	56.5	176.7	172.2	1.5	113.1	K378 I379 M380 Q384 E385 V386	K378-R382 WeakPolarHBondContact O-CB 3.3Å; K378-R382 PolarHBondContact O-N 3.21Å; I379-R382 PolarHBondContact O-N 3.42Å; M380-R382 VanDerWaalsContact C-N 3.28Å; M380-R382 PolarHBondContact O-N 2.92Å; R382-Q384 VanDerWaalsContact C-N 3.34Å; R382-E385 WeakPolarHBondContact CD-OE2 3.42Å; R382-E385 IonicContact CZ-OE2 3.01Å; R382-E385 IonicContact NH1-OE1 2.98Å; R382-E385 PolarHBondContact NH1-OE1 3.36Å; R382-E385 IonicContact NH1-OE2 3.78Å; R382-E385 PolarHBondContact NH1-OE2 3.26Å; R382-V386 VanDerWaalsContact O-CG2 3.3Å; R382-V386 WeakPolarHBondContact O-CG2 3.35Å; R382-V386 PolarHBondContact O-N 2.98Å
383	I	85.3	Confident	81.9	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.072	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-41.6	176.4	-66.8	159.1	0	0	0	110.2	I379 M380 E381 V386 A387 L398 L437 F459 L463	I379-I383 HydrophobicContact CG2-CD1 3.77Å; I379-I383 WeakPolarHBondContact O-CD1 3.25Å; I379-I383 WeakPolarHBondContact O-CG1 3.4Å; I379-I383 PolarHBondContact O-N 3.41Å; M380-I383 PolarHBondContact O-N 3.49Å; M380-I383 VanDerWaalsContact O-N 3.13Å; E381-I383 PolarHBondContact O-N 3.5Å; I383-V386 PolarHBondContact O-N 3.13Å; I383-A387 VanDerWaalsContact O-CB 3.23Å; I383-A387 WeakPolarHBondContact O-CB 3.47Å; I383-A387 PolarHBondContact O-N 2.95Å; I383-L398 HydrophobicContact CG2-CD2 4.49Å; I383-L437 HydrophobicContact CD1-CD1 3.53Å; I383-L437 HydrophobicContact CD1-CD2 4.13Å; I383-L437 HydrophobicContact CD1-CG 4.42Å; I383-L437 HydrophobicContact CG1-CD1 4.15Å; I383-L437 HydrophobicContact CG1-CD2 4.02Å; I383-F459 HydrophobicContact CB-CZ 4Å; I383-F459 HydrophobicContact CD1-CE1 3.97Å; I383-F459 HydrophobicContact CD1-CZ 4.27Å; I383-F459 HydrophobicContact CG2-CZ 3.82Å; I383-L463 HydrophobicContact CD1-CD1 3.84Å
384	Q	84	Confident	82	Confident	55 Å²	55	62.2 Å²	62.2	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-44.5	177.7	-72	174.3	-24.4	0	0	111.5	M380 E381 R382 A387 A388 F459	M380-Q384 WeakPolarHBondContact O-CG 3.03Å; M380-Q384 PolarHBondContact O-N 2.98Å; E381-Q384 PolarHBondContact O-N 3.09Å; R382-Q384 VanDerWaalsContact C-N 3.34Å; Q384-A387 CarbonylContact O-C 3.57Å; Q384-A387 PolarHBondContact O-N 3.32Å; Q384-A388 WeakPolarHBondContact O-CB 3.44Å; Q384-A388 PolarHBondContact O-N 2.78Å; Q384-F459 HydrophobicContact CG-CE2 3.92Å; Q384-F459 HydrophobicContact CG-CZ 4.35Å
385	E	80.6	Confident	82.2	Confident	63 Å²	63	64.2 Å²	64.2	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-50.5	175.5	-171	-160.3	158.8	0	0	111.4	E381 R382 A387 A388 Q389	E381-E385 WeakPolarHBondContact O-CB 3.25Å; E381-E385 PolarHBondContact O-N 3.12Å; R382-E385 WeakPolarHBondContact CD-OE2 3.42Å; R382-E385 IonicContact CZ-OE2 3.01Å; R382-E385 IonicContact NH1-OE1 2.98Å; R382-E385 PolarHBondContact NH1-OE1 3.36Å; R382-E385 IonicContact NH1-OE2 3.78Å; R382-E385 PolarHBondContact NH1-OE2 3.26Å; E385-A387 VanDerWaalsContact C-N 3.26Å; E385-A387 PolarHBondContact O-N 3.25Å; E385-A388 PolarHBondContact O-N 3.08Å; E385-A388 VanDerWaalsContact O-N 3.12Å; E385-Q389 WeakPolarHBondContact O-CG 3.44Å; E385-Q389 PolarHBondContact O-N 2.54Å; E385-Q389 PolarHBondContact OE1-NE2 3.02Å
386	V	80.2	Confident	82.2	Confident	74 Å²	74	69.6 Å²	69.6	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-36	177.3	171.8	0	0	0	0	111.4	R382 I383 S390	R382-V386 VanDerWaalsContact O-CG2 3.3Å; R382-V386 WeakPolarHBondContact O-CG2 3.35Å; R382-V386 PolarHBondContact O-N 2.98Å; I383-V386 PolarHBondContact O-N 3.13Å; V386-S390 WeakPolarHBondContact O-CB 3.22Å; V386-S390 PolarHBondContact O-N 3.01Å; V386-S390 VanDerWaalsContact O-N 3.12Å
387	A	78.2	Confident	82.1	Confident	13 Å²	13	73 Å²	73	11%	0.107	35%	0.353	C	S	.	.	H	α-helix	trans	-70.3	-36	175.6	0	0	0	0	0	112.6	I383 Q384 E385 S390 L398	I383-A387 VanDerWaalsContact O-CB 3.23Å; I383-A387 WeakPolarHBondContact O-CB 3.47Å; I383-A387 PolarHBondContact O-N 2.95Å; Q384-A387 CarbonylContact O-C 3.57Å; Q384-A387 PolarHBondContact O-N 3.32Å; E385-A387 VanDerWaalsContact C-N 3.26Å; E385-A387 PolarHBondContact O-N 3.25Å; A387-S390 WeakPolarHBondContact O-CB 3.49Å; A387-S390 PolarHBondContact O-N 3.16Å; A387-S390 PolarHBondContact O-OG 2.88Å; A387-L398 HydrophobicContact CB-CD2 3.61Å
388	A	76.5	Confident	82.3	Confident	37 Å²	37	72.4 Å²	72.4	31%	0.306	35%	0.35	S	S	.	.	H	α-helix	trans	-68.1	-39.5	176.4	0	0	0	0	0	111.8	Q384 E385 S390	Q384-A388 WeakPolarHBondContact O-CB 3.44Å; Q384-A388 PolarHBondContact O-N 2.78Å; E385-A388 PolarHBondContact O-N 3.08Å; E385-A388 VanDerWaalsContact O-N 3.12Å; A388-S390 PolarHBondContact O-N 2.98Å
389	Q	78.4	Confident	82.6	Confident	127 Å²	127	73.4 Å²	73.4	59%	0.593	36%	0.358	S	S	*	.	H	α-helix	trans	-73.9	-14.1	174.2	-66.5	171.6	7.5	0	0	113	E385	E385-Q389 WeakPolarHBondContact O-CG 3.44Å; E385-Q389 PolarHBondContact O-N 2.54Å; E385-Q389 PolarHBondContact OE1-NE2 3.02Å
390	S	79.9	Confident	82.5	Confident	29 Å²	29	77.8 Å²	77.8	20%	0.203	37%	0.374	C	S	.	.	S	Bend	trans	-77.2	149.4	177.4	82.9	0	0	0	0	112	V386 A387 A388 R395	V386-S390 WeakPolarHBondContact O-CB 3.22Å; V386-S390 PolarHBondContact O-N 3.01Å; V386-S390 VanDerWaalsContact O-N 3.12Å; A387-S390 WeakPolarHBondContact O-CB 3.49Å; A387-S390 PolarHBondContact O-N 3.16Å; A387-S390 PolarHBondContact O-OG 2.88Å; A388-S390 PolarHBondContact O-N 2.98Å; S390-R395 PolarHBondContact OG-N 3.33Å
391	G	82.1	Confident	82.5	Confident	49 Å²	49	77.6 Å²	77.6	51%	0.505	37%	0.373	S	S	.	.			trans	-57.2	148.7	177.2	0	0	0	0	0	112.9	I393 R394 R395	G391-I393 PolarHBondContact O-N 2.96Å; G391-R394 WeakPolarHBondContact O-CB 3.46Å; G391-R394 PolarHBondContact O-N 2.62Å; G391-R395 PolarHBondContact O-N 3.1Å
392	F	81.6	Confident	82.8	Confident	148 Å²	148	75.7 Å²	75.7	65%	0.649	37%	0.365	S	S	*	.	H	α-helix	trans	-43.6	-40.9	-173.5	-179	-103.7	0	0	0	115.1	K396	F392-K396 HydrophobicContact CD1-CD 4.34Å; F392-K396 HydrophobicContact CE1-CD 3.71Å; F392-K396 HydrophobicContact CE1-CG 4.5Å; F392-K396 HydrophobicContact CE2-CD 4.42Å; F392-K396 HydrophobicContact CZ-CD 3.79Å; F392-K396 HydrophobicContact CZ-CG 4.47Å; F392-K396 VanDerWaalsContact CZ-NZ 3.35Å; F392-K396 PolarHBondContact O-N 2.62Å
393	I	84.6	Confident	82.8	Confident	133 Å²	133	73.1 Å²	73.1	68%	0.682	37%	0.366	S	S	*	.	H	α-helix	trans	-64.2	-44.7	178.6	-60.9	174.6	0	0	0	111.2	G391 K396 M397	G391-I393 PolarHBondContact O-N 2.96Å; I393-K396 PolarHBondContact O-N 2.95Å; I393-M397 HydrophobicContact CG2-CG 4.43Å; I393-M397 WeakPolarHBondContact O-CB 3.24Å; I393-M397 VanDerWaalsContact O-CG 3.26Å; I393-M397 WeakPolarHBondContact O-CG 3.21Å; I393-M397 PolarHBondContact O-N 3.49Å
394	R	83.4	Confident	82.7	Confident	191 Å²	191	73.9 Å²	73.9	72%	0.721	37%	0.372	S	S	*	.	H	α-helix	trans	-66.2	-43.5	-179.6	-68.9	-175.6	-179.7	177.4	1.1	111.3	G391 K396 M397 L398	G391-R394 WeakPolarHBondContact O-CB 3.46Å; G391-R394 PolarHBondContact O-N 2.62Å; R394-K396 PolarHBondContact O-N 2.87Å; R394-M397 PolarHBondContact O-N 3.46Å; R394-L398 PolarHBondContact O-N 3.31Å
395	R	83.5	Confident	82.8	Confident	97 Å²	97	71.5 Å²	71.5	37%	0.366	36%	0.361	S	S	.	.	H	α-helix	trans	-57.7	-48.7	174.7	-172.7	-179.8	179.9	-173.1	8	111.4	S390 G391 M397 L398 L399 E631	S390-R395 PolarHBondContact OG-N 3.33Å; G391-R395 PolarHBondContact O-N 3.1Å; R395-M397 PolarHBondContact O-N 3.17Å; R395-L398 PolarHBondContact O-N 2.9Å; R395-L399 HydrophobicContact CG-CD1 4.18Å; R395-L399 WeakPolarHBondContact O-CG 3.32Å; R395-L399 PolarHBondContact O-N 3.36Å; R395-E631 IonicContact CZ-OE1 3.89Å; R395-E631 IonicContact NH1-OE1 3.86Å; R395-E631 IonicContact NH2-OE1 3.08Å; R395-E631 PolarHBondContact NH2-OE1 2.95Å; R395-E631 VanDerWaalsContact NH2-OE1 3.08Å; R395-E631 IonicContact NH2-OE2 3.74Å
396	K	82.7	Confident	83	Confident	125 Å²	125	70.4 Å²	70.4	54%	0.543	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-41.7	177.2	-83.2	-165.8	166.8	-176.3	0	112.9	F392 I393 R394 L399 W400	F392-K396 HydrophobicContact CD1-CD 4.34Å; F392-K396 HydrophobicContact CE1-CD 3.71Å; F392-K396 HydrophobicContact CE1-CG 4.5Å; F392-K396 HydrophobicContact CE2-CD 4.42Å; F392-K396 HydrophobicContact CZ-CD 3.79Å; F392-K396 HydrophobicContact CZ-CG 4.47Å; F392-K396 VanDerWaalsContact CZ-NZ 3.35Å; F392-K396 PolarHBondContact O-N 2.62Å; I393-K396 PolarHBondContact O-N 2.95Å; R394-K396 PolarHBondContact O-N 2.87Å; K396-L399 PolarHBondContact O-N 3.39Å; K396-W400 VanDerWaalsContact O-CB 3.27Å; K396-W400 WeakPolarHBondContact O-CB 3.43Å; K396-W400 PolarHBondContact O-N 2.86Å
397	M	85	Confident	83.2	Confident	73 Å²	73	73 Å²	73	36%	0.36	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-40.6	177.3	-73.6	-62.6	-63.3	0	0	112.2	I393 R394 R395 W400 A401 V429	I393-M397 HydrophobicContact CG2-CG 4.43Å; I393-M397 WeakPolarHBondContact O-CB 3.24Å; I393-M397 VanDerWaalsContact O-CG 3.26Å; I393-M397 WeakPolarHBondContact O-CG 3.21Å; I393-M397 PolarHBondContact O-N 3.49Å; R394-M397 PolarHBondContact O-N 3.46Å; R395-M397 PolarHBondContact O-N 3.17Å; M397-W400 HydrophobicContact CE-CE3 4.22Å; M397-W400 HydrophobicContact CE-CZ3 4.18Å; M397-A401 VanDerWaalsContact O-CB 3.24Å; M397-A401 WeakPolarHBondContact O-CB 3.14Å; M397-A401 PolarHBondContact O-N 3.49Å; M397-V429 HydrophobicContact CB-CG2 4.28Å; M397-V429 HydrophobicContact CE-CG2 4.2Å
398	L	86.6	Confident	83.3	Confident	19 Å²	19	73.9 Å²	73.9	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-64.4	-51.1	175.7	179.5	63.3	0	0	0	112	I383 A387 R394 R395 W400 A401 M402 V429 L430 V433 L463	I383-L398 HydrophobicContact CG2-CD2 4.49Å; A387-L398 HydrophobicContact CB-CD2 3.61Å; R394-L398 PolarHBondContact O-N 3.31Å; R395-L398 PolarHBondContact O-N 2.9Å; L398-W400 VanDerWaalsContact C-N 3.32Å; L398-W400 PolarHBondContact O-N 3.48Å; L398-A401 PolarHBondContact O-N 3.25Å; L398-M402 HydrophobicContact CD1-CG 4.14Å; L398-M402 HydrophobicContact CD1-SD 4.01Å; L398-M402 HydrophobicContact CG-CG 4.47Å; L398-M402 HydrophobicContact CG-SD 3.95Å; L398-M402 WeakPolarHBondContact O-CB 3.43Å; L398-M402 WeakPolarHBondContact O-CG 3.07Å; L398-M402 PolarHBondContact O-N 3.21Å; L398-V429 HydrophobicContact CB-CG1 4.33Å; L398-V429 HydrophobicContact CD1-CG1 3.96Å; L398-L430 HydrophobicContact CD1-CD2 4.2Å; L398-V433 HydrophobicContact CD1-CG2 4.04Å; L398-L463 HydrophobicContact CD1-CD2 4.37Å
399	L	85.8	Confident	83.7	Confident	91 Å²	91	73 Å²	73	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-40.6	-179.8	-68.3	174.6	0	0	0	112	R395 K396 S403	R395-L399 HydrophobicContact CG-CD1 4.18Å; R395-L399 WeakPolarHBondContact O-CG 3.32Å; R395-L399 PolarHBondContact O-N 3.36Å; K396-L399 PolarHBondContact O-N 3.39Å; L399-S403 WeakPolarHBondContact O-CB 3.29Å; L399-S403 PolarHBondContact O-N 2.88Å; L399-S403 PolarHBondContact O-OG 2.95Å
400	W	84	Confident	84	Confident	103 Å²	103	71 Å²	71	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-50.2	173.5	169.7	75.3	0	0	0	111.6	K396 M397 L398 M402 S403 V404 A425	K396-W400 VanDerWaalsContact O-CB 3.27Å; K396-W400 WeakPolarHBondContact O-CB 3.43Å; K396-W400 PolarHBondContact O-N 2.86Å; M397-W400 HydrophobicContact CE-CE3 4.22Å; M397-W400 HydrophobicContact CE-CZ3 4.18Å; L398-W400 VanDerWaalsContact C-N 3.32Å; L398-W400 PolarHBondContact O-N 3.48Å; W400-M402 VanDerWaalsContact C-N 3.3Å; W400-M402 PolarHBondContact O-N 3.16Å; W400-S403 PolarHBondContact O-N 3.5Å; W400-V404 HydrophobicContact CZ2-CG2 4.38Å; W400-V404 WeakPolarHBondContact O-CG2 3.28Å; W400-V404 PolarHBondContact O-N 2.91Å; W400-A425 HydrophobicContact CE3-CB 4.43Å; W400-A425 HydrophobicContact CH2-CB 3.94Å; W400-A425 HydrophobicContact CZ3-CB 3.72Å
401	A	86.5	Confident	83.7	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-59.8	-41.4	179.8	0	0	0	0	0	112	M397 L398 T405 A425 V429 L430	M397-A401 VanDerWaalsContact O-CB 3.24Å; M397-A401 WeakPolarHBondContact O-CB 3.14Å; M397-A401 PolarHBondContact O-N 3.49Å; L398-A401 PolarHBondContact O-N 3.25Å; A401-T405 VanDerWaalsContact O-CB 3.26Å; A401-T405 WeakPolarHBondContact O-CB 3.4Å; A401-T405 PolarHBondContact O-N 2.79Å; A401-T405 VanDerWaalsContact O-N 3.14Å; A401-T405 PolarHBondContact O-OG1 2.86Å; A401-A425 HydrophobicContact CB-CB 3.84Å; A401-V429 HydrophobicContact CB-CB 4.06Å; A401-V429 HydrophobicContact CB-CG1 4.26Å; A401-V429 HydrophobicContact CB-CG2 4.4Å; A401-L430 HydrophobicContact CB-CD2 3.9Å; A401-L430 HydrophobicContact CB-CG 4.09Å
402	M	87.2	Confident	82.8	Confident	21 Å²	21	74.1 Å²	74.1	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-66.4	-41.3	176.4	-73.4	177.5	73.1	0	0	112.7	L398 W400 T405 L406 L430 F459 G462 L463	L398-M402 HydrophobicContact CD1-CG 4.14Å; L398-M402 HydrophobicContact CD1-SD 4.01Å; L398-M402 HydrophobicContact CG-CG 4.47Å; L398-M402 HydrophobicContact CG-SD 3.95Å; L398-M402 WeakPolarHBondContact O-CB 3.43Å; L398-M402 WeakPolarHBondContact O-CG 3.07Å; L398-M402 PolarHBondContact O-N 3.21Å; W400-M402 VanDerWaalsContact C-N 3.3Å; W400-M402 PolarHBondContact O-N 3.16Å; M402-T405 PolarHBondContact O-N 3.49Å; M402-L406 VanDerWaalsContact O-CB 3.26Å; M402-L406 WeakPolarHBondContact O-CB 3.3Å; M402-L406 PolarHBondContact O-N 3.09Å; M402-L430 HydrophobicContact CG-CD2 4.13Å; M402-F459 HydrophobicContact CE-CD2 3.44Å; M402-F459 VanDerWaalsContact CE-CD2 3.44Å; M402-F459 HydrophobicContact CE-CE1 4.5Å; M402-F459 HydrophobicContact CE-CE2 3.44Å; M402-F459 VanDerWaalsContact CE-CE2 3.44Å; M402-F459 HydrophobicContact CE-CG 4Å; M402-F459 HydrophobicContact CE-CZ 4Å; M402-F459 WeakPolarHBondContact CE-O 3.18Å; M402-F459 HydrophobicContact SD-CE2 4.33Å; M402-G462 WeakPolarHBondContact CA-O 3.18Å; M402-L463 HydrophobicContact CE-CD2 4.2Å; M402-L463 HydrophobicContact CE-CG 4.18Å; M402-L463 HydrophobicContact CG-CD2 3.89Å; M402-L463 HydrophobicContact SD-CD2 3.92Å
403	S	83	Confident	81.6	Confident	73 Å²	73	71.8 Å²	71.8	51%	0.51	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-49	-179.4	-58.3	0	0	0	0	111.4	L399 W400 T405 L406 E407	L399-S403 WeakPolarHBondContact O-CB 3.29Å; L399-S403 PolarHBondContact O-N 2.88Å; L399-S403 PolarHBondContact O-OG 2.95Å; W400-S403 PolarHBondContact O-N 3.5Å; S403-T405 VanDerWaalsContact C-N 3.28Å; S403-T405 PolarHBondContact O-N 2.99Å; S403-L406 PolarHBondContact O-N 3.32Å; S403-E407 WeakPolarHBondContact O-CB 3.14Å; S403-E407 PolarHBondContact O-N 3.08Å
404	V	83.3	Confident	80	Confident	31 Å²	31	69.2 Å²	69.2	19%	0.188	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-41.5	177	172.9	0	0	0	0	111.1	W400 Q408	W400-V404 HydrophobicContact CZ2-CG2 4.38Å; W400-V404 WeakPolarHBondContact O-CG2 3.28Å; W400-V404 PolarHBondContact O-N 2.91Å; V404-Q408 WeakPolarHBondContact O-CB 3.06Å; V404-Q408 PolarHBondContact O-N 3.08Å; V404-Q408 VanDerWaalsContact O-N 3.11Å
405	T	85.3	Confident	78.4	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.025	36%	0.362	C	S	.	.	H	α-helix	trans	-73.3	-37.8	-178	-60.5	0	0	0	0	112.5	A401 M402 S403 N409 L430 G462 N464	A401-T405 VanDerWaalsContact O-CB 3.26Å; A401-T405 WeakPolarHBondContact O-CB 3.4Å; A401-T405 PolarHBondContact O-N 2.79Å; A401-T405 VanDerWaalsContact O-N 3.14Å; A401-T405 PolarHBondContact O-OG1 2.86Å; M402-T405 PolarHBondContact O-N 3.49Å; S403-T405 VanDerWaalsContact C-N 3.28Å; S403-T405 PolarHBondContact O-N 2.99Å; T405-N409 WeakPolarHBondContact O-CB 3.1Å; T405-N409 PolarHBondContact O-N 3.35Å; T405-N409 PolarHBondContact O-ND2 2.54Å; T405-L430 HydrophobicContact CG2-CD1 4.01Å; T405-L430 VanDerWaalsContact OG1-CD1 3.28Å; T405-L430 WeakPolarHBondContact OG1-CD1 3.3Å; T405-G462 VanDerWaalsContact CB-O 3.29Å; T405-G462 WeakPolarHBondContact CB-O 3.39Å; T405-G462 VanDerWaalsContact CG2-O 3.31Å; T405-G462 WeakPolarHBondContact CG2-O 3.4Å; T405-N464 HydrophobicContact CG2-CB 3.7Å
406	L	85.6	Confident	77	Confident	41 Å²	41	68.7 Å²	68.7	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-65.1	-50	175.6	177	59.8	0	0	0	110.7	M402 S403 Q408 N409 L410 R458 L461	M402-L406 VanDerWaalsContact O-CB 3.26Å; M402-L406 WeakPolarHBondContact O-CB 3.3Å; M402-L406 PolarHBondContact O-N 3.09Å; S403-L406 PolarHBondContact O-N 3.32Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.19Å; L406-N409 PolarHBondContact O-N 2.65Å; L406-L410 HydrophobicContact CD1-CD1 3.87Å; L406-L410 HydrophobicContact CD1-CG 4.02Å; L406-L410 HydrophobicContact CG-CD1 3.92Å; L406-L410 HydrophobicContact CG-CG 4.44Å; L406-L410 VanDerWaalsContact O-CG 3.3Å; L406-L410 WeakPolarHBondContact O-CG 3.49Å; L406-L410 PolarHBondContact O-N 3.36Å; L406-R458 HydrophobicContact CD1-CB 4.26Å; L406-R458 HydrophobicContact CD1-CG 4.42Å; L406-R458 HydrophobicContact CD2-CB 4.34Å; L406-L461 HydrophobicContact CD1-CB 4.02Å; L406-L461 HydrophobicContact CD1-CD2 3.88Å; L406-L461 HydrophobicContact CD1-CG 4.08Å
407	E	82.9	Confident	75.7	Confident	129 Å²	129	70.1 Å²	70.1	60%	0.603	38%	0.383	S	S	*	.	H	α-helix	trans	-56.5	-44.7	177.8	-174.3	178.7	-178.1	0	0	111	S403 L410 T411	S403-E407 WeakPolarHBondContact O-CB 3.14Å; S403-E407 PolarHBondContact O-N 3.08Å; E407-L410 PolarHBondContact O-N 3.44Å; E407-T411 HydrophobicContact CG-CG2 4.46Å; E407-T411 WeakPolarHBondContact O-CB 3.32Å; E407-T411 WeakPolarHBondContact O-CG2 3.3Å; E407-T411 PolarHBondContact O-N 3.18Å; E407-T411 PolarHBondContact O-OG1 3.44Å
408	Q	81.7	Confident	74.6	Confident	30 Å²	30	71 Å²	71	14%	0.14	39%	0.385	C	S	.	.	H	α-helix	trans	-61.2	-48	176.1	-177.6	-179.9	1.5	0	0	112.4	V404 L406 L410 T411 C412 S422	V404-Q408 WeakPolarHBondContact O-CB 3.06Å; V404-Q408 PolarHBondContact O-N 3.08Å; V404-Q408 VanDerWaalsContact O-N 3.11Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.19Å; Q408-L410 PolarHBondContact O-N 3.1Å; Q408-T411 PolarHBondContact O-N 2.98Å; Q408-T411 PolarHBondContact O-OG1 3.33Å; Q408-C412 PolarHBondContact O-N 2.71Å; Q408-S422 PolarHBondContact OE1-OG 2.8Å
409	N	84.6	Confident	73.8	Confident	19 Å²	19	73.3 Å²	73.3	10%	0.102	40%	0.401	C	S	.	.	H	α-helix	trans	-67.5	-25	-178.5	-85.1	-67	0	0	0	112.9	T405 L406 L461 N464 R466	T405-N409 WeakPolarHBondContact O-CB 3.1Å; T405-N409 PolarHBondContact O-N 3.35Å; T405-N409 PolarHBondContact O-ND2 2.54Å; L406-N409 PolarHBondContact O-N 2.65Å; N409-L461 HydrophobicContact CB-CD1 3.64Å; N409-L461 HydrophobicContact CB-CD2 3.98Å; N409-L461 HydrophobicContact CB-CG 3.61Å; N409-L461 PolarHBondContact ND2-O 2.87Å; N409-N464 PolarHBondContact ND2-OD1 3.17Å; N409-R466 PolarHBondContact OD1-NH2 3.26Å
410	L	83.6	Confident	73.2	Confident	84 Å²	84	76.8 Å²	76.8	44%	0.44	41%	0.413	S	S	.	.	H	α-helix	trans	-81	-34.6	174.6	-68.4	174.5	0	0	0	113	L406 E407 Q408 L461 L490	L406-L410 HydrophobicContact CD1-CD1 3.87Å; L406-L410 HydrophobicContact CD1-CG 4.02Å; L406-L410 HydrophobicContact CG-CD1 3.92Å; L406-L410 HydrophobicContact CG-CG 4.44Å; L406-L410 VanDerWaalsContact O-CG 3.3Å; L406-L410 WeakPolarHBondContact O-CG 3.49Å; L406-L410 PolarHBondContact O-N 3.36Å; E407-L410 PolarHBondContact O-N 3.44Å; Q408-L410 PolarHBondContact O-N 3.1Å; L410-L461 HydrophobicContact CD2-CD2 4Å; L410-L461 HydrophobicContact CG-CD2 4.39Å; L410-L490 HydrophobicContact CD2-CD2 3.79Å
411	T	74.7	Confident	72.7	Confident	96 Å²	96	75.3 Å²	75.3	59%	0.589	42%	0.415	S	S	*	.	H	α-helix	trans	-93.5	-33.4	-173.5	51.7	0	0	0	0	114.1	E407 Q408 P413	E407-T411 HydrophobicContact CG-CG2 4.46Å; E407-T411 WeakPolarHBondContact O-CB 3.32Å; E407-T411 WeakPolarHBondContact O-CG2 3.3Å; E407-T411 PolarHBondContact O-N 3.18Å; E407-T411 PolarHBondContact O-OG1 3.44Å; Q408-T411 PolarHBondContact O-N 2.98Å; Q408-T411 PolarHBondContact O-OG1 3.33Å; T411-P413 WeakPolarHBondContact O-CD 3.38Å
412	C	62.3	Low	72	Confident	48 Å²	48	75.4 Å²	75.4	32%	0.324	42%	0.416	S	S	.	.			trans	-122.7	82.5	178.6	-70.4	0	0	0	0	110.9	Q408 S414	Q408-C412 PolarHBondContact O-N 2.71Å; C412-S414 PolarHBondContact O-N 3.39Å
413	P	57.4	Low	71.6	Confident	100 Å²	100	81.2 Å²	81.2	65%	0.649	44%	0.437	S	S	*	.			trans	-64.5	-29.9	170.9	-18.2	30.5	0	0	0	112.4	T411	T411-P413 WeakPolarHBondContact O-CD 3.38Å
414	S	49.6	Very low	71.4	Confident	78 Å²	78	81.1 Å²	81.1	55%	0.545	43%	0.43	S	S	.	.	S	Bend	trans	-89	158.6	-178	50.2	0	0	0	0	113.3	C412 D416	C412-S414 PolarHBondContact O-N 3.39Å; S414-D416 PolarHBondContact O-N 2.78Å
415	N	50.2	Low	71.2	Confident	174 Å²	174	79.6 Å²	79.6	93%	0.93	42%	0.421	S	S	*	.			trans	-67.3	35.1	-167.6	-146.3	17.9	0	0	0	115.9
416	D	54.2	Low	71	Confident	103 Å²	103	81.1 Å²	81.1	55%	0.551	43%	0.429	S	S	*	.			trans	-64.5	145.2	173.4	-71.9	-36.1	0	0	0	110.6	S414 K418	S414-D416 PolarHBondContact O-N 2.78Å; D416-K418 PolarHBondContact O-N 2.77Å
417	L	56.3	Low	70.9	Confident	155 Å²	155	87.7 Å²	87.7	81%	0.812	45%	0.452	S	S	*	.			trans	-52.6	108.1	-178.9	-76.8	164.3	0	0	0	109.8
418	K	61.9	Low	70.8	Confident	91 Å²	91	84.8 Å²	84.8	40%	0.396	44%	0.441	S	S	.	.			trans	-46.8	129.3	178.2	-59.9	-164.7	175.9	-177.9	0	110	D416 F420 R423	D416-K418 PolarHBondContact O-N 2.77Å; K418-F420 PolarHBondContact O-N 2.86Å; K418-R423 HydrophobicContact CB-CG 4Å
419	P	69.6	Low	70.9	Confident	68 Å²	68	84.3 Å²	84.3	44%	0.442	44%	0.44	S	S	.	.			trans	-49.6	142.4	172.9	-27.3	34.5	0	0	0	111.1	T421 S422 R423	P419-T421 PolarHBondContact O-N 2.97Å; P419-T421 VanDerWaalsContact O-N 3.09Å; P419-S422 PolarHBondContact O-N 3.07Å; P419-S422 PolarHBondContact O-OG 2.9Å; P419-R423 PolarHBondContact O-N 2.84Å
420	F	73.5	Confident	70.9	Confident	164 Å²	164	83.4 Å²	83.4	72%	0.719	44%	0.435	S	S	*	.	H	α-helix	trans	-54.3	-34	179.8	178.1	-99.2	0	0	0	112.2	K418 R423 L424	K418-F420 PolarHBondContact O-N 2.86Å; F420-R423 PolarHBondContact O-N 3.05Å; F420-L424 PolarHBondContact O-N 3.27Å; F420-L424 VanDerWaalsContact O-N 3.08Å
421	T	72.6	Confident	71.1	Confident	72 Å²	72	81 Å²	81	44%	0.442	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-40.8	176.5	49.9	0	0	0	0	113.2	P419 L424 A425	P419-T421 PolarHBondContact O-N 2.97Å; P419-T421 VanDerWaalsContact O-N 3.09Å; T421-L424 PolarHBondContact O-N 2.92Å; T421-A425 WeakPolarHBondContact O-CB 3.43Å; T421-A425 PolarHBondContact O-N 2.85Å
422	S	72.4	Confident	71.7	Confident	3 Å²	3	84.4 Å²	84.4	2%	0.021	43%	0.429	C	S	.	.	H	α-helix	trans	-75.6	-34.2	-179.7	69.3	0	0	0	0	112.4	Q408 P419 L424 A425 D426	Q408-S422 PolarHBondContact OE1-OG 2.8Å; P419-S422 PolarHBondContact O-N 3.07Å; P419-S422 PolarHBondContact O-OG 2.9Å; S422-L424 VanDerWaalsContact C-N 3.3Å; S422-L424 PolarHBondContact O-N 2.88Å; S422-A425 PolarHBondContact O-N 3.38Å; S422-D426 VanDerWaalsContact O-CB 3.29Å; S422-D426 WeakPolarHBondContact O-CB 3.49Å; S422-D426 PolarHBondContact O-N 2.79Å
423	R	77.8	Confident	72.9	Confident	142 Å²	142	83.5 Å²	83.5	54%	0.536	42%	0.422	S	S	.	.	H	α-helix	trans	-60	-42.3	170.3	-69.8	-175.9	174.4	179.6	-1	111.5	K418 P419 F420 Y427	K418-R423 HydrophobicContact CB-CG 4Å; P419-R423 PolarHBondContact O-N 2.84Å; F420-R423 PolarHBondContact O-N 3.05Å; R423-Y427 WeakPolarHBondContact O-CB 3.47Å; R423-Y427 PolarHBondContact O-N 2.86Å
424	L	78.8	Confident	74.5	Confident	71 Å²	71	80.2 Å²	80.2	37%	0.372	40%	0.397	S	S	.	.	H	α-helix	trans	-68.9	-44.8	178.4	-172	66.9	0	0	0	111.9	F420 T421 S422 D426 Y427 L428	F420-L424 PolarHBondContact O-N 3.27Å; F420-L424 VanDerWaalsContact O-N 3.08Å; T421-L424 PolarHBondContact O-N 2.92Å; S422-L424 VanDerWaalsContact C-N 3.3Å; S422-L424 PolarHBondContact O-N 2.88Å; L424-D426 VanDerWaalsContact C-N 3.31Å; L424-D426 PolarHBondContact O-N 3.27Å; L424-Y427 PolarHBondContact O-N 2.53Å; L424-L428 HydrophobicContact CD1-CD1 3.65Å; L424-L428 HydrophobicContact CD1-CG 3.95Å; L424-L428 HydrophobicContact CD2-CD1 4.38Å; L424-L428 HydrophobicContact CG-CD1 3.73Å; L424-L428 HydrophobicContact CG-CG 4.29Å; L424-L428 WeakPolarHBondContact O-CB 3.27Å; L424-L428 WeakPolarHBondContact O-CG 3.45Å; L424-L428 PolarHBondContact O-N 2.72Å
425	A	80.4	Confident	76.4	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-58.6	-43.7	175.9	0	0	0	0	0	111.8	W400 A401 T421 S422 V429 L430	W400-A425 HydrophobicContact CE3-CB 4.43Å; W400-A425 HydrophobicContact CH2-CB 3.94Å; W400-A425 HydrophobicContact CZ3-CB 3.72Å; A401-A425 HydrophobicContact CB-CB 3.84Å; T421-A425 WeakPolarHBondContact O-CB 3.43Å; T421-A425 PolarHBondContact O-N 2.85Å; S422-A425 PolarHBondContact O-N 3.38Å; A425-V429 WeakPolarHBondContact O-CB 3.31Å; A425-V429 PolarHBondContact O-N 3.23Å; A425-V429 VanDerWaalsContact O-N 3.14Å; A425-L430 PolarHBondContact O-N 2.63Å
426	D	81.7	Confident	78.2	Confident	35 Å²	35	76.2 Å²	76.2	19%	0.187	37%	0.372	C	S	.	.	I	π-helix	trans	-64.2	-50.7	177.9	-167.2	61.7	0	0	0	111.4	S422 L424 L430 A431 R434	S422-D426 VanDerWaalsContact O-CB 3.29Å; S422-D426 WeakPolarHBondContact O-CB 3.49Å; S422-D426 PolarHBondContact O-N 2.79Å; L424-D426 VanDerWaalsContact C-N 3.31Å; L424-D426 PolarHBondContact O-N 3.27Å; D426-L430 PolarHBondContact O-N 2.95Å; D426-A431 VanDerWaalsContact O-CB 3.28Å; D426-A431 WeakPolarHBondContact O-CB 3.3Å; D426-A431 PolarHBondContact O-N 2.63Å; D426-R434 IonicContact OD1-CZ 3.21Å; D426-R434 IonicContact OD1-NH1 3.68Å; D426-R434 PolarHBondContact OD1-NH1 2.75Å; D426-R434 IonicContact OD1-NH2 2.81Å; D426-R434 PolarHBondContact OD1-NH2 2.74Å; D426-R434 IonicContact OD2-NH2 2.71Å; D426-R434 PolarHBondContact OD2-NH2 3.45Å
427	Y	82.1	Confident	79.9	Confident	179 Å²	179	72 Å²	72	70%	0.702	35%	0.35	S	S	*	.	I	π-helix	trans	-65.1	-43.2	-177.9	-179	-102.7	0	0	0	113.6	R423 L424	R423-Y427 WeakPolarHBondContact O-CB 3.47Å; R423-Y427 PolarHBondContact O-N 2.86Å; L424-Y427 PolarHBondContact O-N 2.53Å
428	L	80.5	Confident	81.5	Confident	68 Å²	68	64.7 Å²	64.7	36%	0.356	31%	0.312	S	S	.	.	I	π-helix	trans	-78.7	-31.7	-174.8	-68.9	-179.4	0	0	0	113.5	L424	L424-L428 HydrophobicContact CD1-CD1 3.65Å; L424-L428 HydrophobicContact CD1-CG 3.95Å; L424-L428 HydrophobicContact CD2-CD1 4.38Å; L424-L428 HydrophobicContact CG-CD1 3.73Å; L424-L428 HydrophobicContact CG-CG 4.29Å; L424-L428 WeakPolarHBondContact O-CB 3.27Å; L424-L428 WeakPolarHBondContact O-CG 3.45Å; L424-L428 PolarHBondContact O-N 2.72Å
429	V	84.6	Confident	82.9	Confident	21 Å²	21	60.5 Å²	60.5	13%	0.127	29%	0.293	C	S	.	.	I	π-helix	trans	-125	-63.1	-168.2	-171.9	0	0	0	0	111.5	M397 L398 A401 A425 A431 R432 V433	M397-V429 HydrophobicContact CB-CG2 4.28Å; M397-V429 HydrophobicContact CE-CG2 4.2Å; L398-V429 HydrophobicContact CB-CG1 4.33Å; L398-V429 HydrophobicContact CD1-CG1 3.96Å; A401-V429 HydrophobicContact CB-CB 4.06Å; A401-V429 HydrophobicContact CB-CG1 4.26Å; A401-V429 HydrophobicContact CB-CG2 4.4Å; A425-V429 WeakPolarHBondContact O-CB 3.31Å; A425-V429 PolarHBondContact O-N 3.23Å; A425-V429 VanDerWaalsContact O-N 3.14Å; V429-A431 PolarHBondContact O-N 3.32Å; V429-R432 PolarHBondContact O-N 2.82Å; V429-V433 PolarHBondContact O-N 2.63Å
430	L	85.4	Confident	83.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-69.4	-36.3	-167.2	-52.8	-179.7	0	0	0	113.1	L398 A401 M402 T405 A425 D426 R432 V433 R434 L463	L398-L430 HydrophobicContact CD1-CD2 4.2Å; A401-L430 HydrophobicContact CB-CD2 3.9Å; A401-L430 HydrophobicContact CB-CG 4.09Å; M402-L430 HydrophobicContact CG-CD2 4.13Å; T405-L430 HydrophobicContact CG2-CD1 4.01Å; T405-L430 VanDerWaalsContact OG1-CD1 3.28Å; T405-L430 WeakPolarHBondContact OG1-CD1 3.3Å; A425-L430 PolarHBondContact O-N 2.63Å; D426-L430 PolarHBondContact O-N 2.95Å; L430-R432 VanDerWaalsContact C-N 3.29Å; L430-R432 PolarHBondContact O-N 3.49Å; L430-V433 WeakPolarHBondContact O-CB 3.39Å; L430-V433 PolarHBondContact O-N 2.97Å; L430-V433 VanDerWaalsContact O-N 3.15Å; L430-R434 WeakPolarHBondContact O-CG 3.29Å; L430-R434 PolarHBondContact O-N 2.61Å; L430-L463 HydrophobicContact CD2-CD2 3.98Å
431	A	87.4	Confident	84.8	Confident	32 Å²	32	57.3 Å²	57.3	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-60.3	-39.2	176.3	0	0	0	0	0	111.9	D426 V429 R434 Q435	D426-A431 VanDerWaalsContact O-CB 3.28Å; D426-A431 WeakPolarHBondContact O-CB 3.3Å; D426-A431 PolarHBondContact O-N 2.63Å; V429-A431 PolarHBondContact O-N 3.32Å; A431-R434 PolarHBondContact O-N 2.58Å; A431-Q435 WeakPolarHBondContact O-CB 3.46Å; A431-Q435 PolarHBondContact O-N 3.3Å
432	R	87.2	Confident	85.9	Confident	169 Å²	169	54.6 Å²	54.6	64%	0.638	27%	0.266	S	S	*	.	H	α-helix	trans	-68.5	-38.1	175.3	-67.6	-179.7	174.7	164.5	-4	112	V429 L430 Q435 A436	V429-R432 PolarHBondContact O-N 2.82Å; L430-R432 VanDerWaalsContact C-N 3.29Å; L430-R432 PolarHBondContact O-N 3.49Å; R432-Q435 PolarHBondContact O-N 3.27Å; R432-A436 WeakPolarHBondContact O-CB 3.35Å; R432-A436 PolarHBondContact O-N 3.41Å
433	V	88.1	Confident	86.8	Confident	28 Å²	28	59.9 Å²	59.9	17%	0.17	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-48.1	174.1	175.7	0	0	0	0	110.1	L398 V429 L430 Q435 A436 L437 L463	L398-V433 HydrophobicContact CD1-CG2 4.04Å; V429-V433 PolarHBondContact O-N 2.63Å; L430-V433 WeakPolarHBondContact O-CB 3.39Å; L430-V433 PolarHBondContact O-N 2.97Å; L430-V433 VanDerWaalsContact O-N 3.15Å; V433-Q435 VanDerWaalsContact C-N 3.35Å; V433-Q435 PolarHBondContact O-N 2.65Å; V433-A436 PolarHBondContact O-N 2.91Å; V433-L437 HydrophobicContact CG1-CD1 4.04Å; V433-L437 VanDerWaalsContact O-CG 3.31Å; V433-L437 WeakPolarHBondContact O-CG 3.36Å; V433-L437 PolarHBondContact O-N 3.08Å; V433-L437 VanDerWaalsContact O-N 3.12Å; V433-L463 HydrophobicContact CG1-CD2 4.17Å
434	R	90.6	Very high	87.6	Confident	32 Å²	32	53.3 Å²	53.3	12%	0.121	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-43.2	176.4	-69.7	-169.5	-61.7	-88.2	0.9	112.2	D426 L430 A431 L437 G438 F439 A440 L463 I465	D426-R434 IonicContact OD1-CZ 3.21Å; D426-R434 IonicContact OD1-NH1 3.68Å; D426-R434 PolarHBondContact OD1-NH1 2.75Å; D426-R434 IonicContact OD1-NH2 2.81Å; D426-R434 PolarHBondContact OD1-NH2 2.74Å; D426-R434 IonicContact OD2-NH2 2.71Å; D426-R434 PolarHBondContact OD2-NH2 3.45Å; L430-R434 WeakPolarHBondContact O-CG 3.29Å; L430-R434 PolarHBondContact O-N 2.61Å; A431-R434 PolarHBondContact O-N 2.58Å; R434-L437 PolarHBondContact O-N 3.45Å; R434-L437 VanDerWaalsContact O-N 3.14Å; R434-G438 PolarHBondContact O-N 3.31Å; R434-G438 VanDerWaalsContact O-N 3.15Å; R434-F439 HydrophobicContact CB-CB 4.45Å; R434-F439 PolarHBondContact O-N 2.87Å; R434-A440 PolarHBondContact O-N 3.29Å; R434-L463 PolarHBondContact NH1-O 2.84Å; R434-I465 HydrophobicContact CG-CD1 4.13Å; R434-I465 HydrophobicContact CG-CG1 4.32Å
435	Q	90	Very high	88.4	Confident	119 Å²	119	50.1 Å²	50.1	56%	0.556	25%	0.249	S	C	*	.	H	α-helix	trans	-61.5	-44.1	175.1	-171.4	178.9	20.4	0	0	112.1	A431 R432 V433 L437 G438 A440	A431-Q435 WeakPolarHBondContact O-CB 3.46Å; A431-Q435 PolarHBondContact O-N 3.3Å; R432-Q435 PolarHBondContact O-N 3.27Å; V433-Q435 VanDerWaalsContact C-N 3.35Å; V433-Q435 PolarHBondContact O-N 2.65Å; Q435-L437 PolarHBondContact O-N 2.92Å; Q435-L437 VanDerWaalsContact O-N 3.17Å; Q435-G438 PolarHBondContact O-N 2.93Å; Q435-A440 HydrophobicContact CB-CB 4.22Å; Q435-A440 HydrophobicContact CG-CB 4.47Å
436	A	88.1	Confident	89.2	Confident	49 Å²	49	50.6 Å²	50.6	41%	0.405	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-15.2	176.8	0	0	0	0	0	113.5	R362 R432 V433	R362-A436 PolarHBondContact NE-O 3.31Å; R362-A436 PolarHBondContact NH2-O 3Å; R432-A436 WeakPolarHBondContact O-CB 3.35Å; R432-A436 PolarHBondContact O-N 3.41Å; V433-A436 PolarHBondContact O-N 2.91Å
437	L	88.3	Confident	89.7	Confident	15 Å²	15	49.6 Å²	49.6	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-98.5	-7.6	173.8	-63.5	167.1	0	0	0	113.1	L361 I379 I383 V433 R434 Q435 F439	L361-L437 WeakPolarHBondContact CB-O 3.43Å; I379-L437 HydrophobicContact CG2-CD1 4.32Å; I379-L437 HydrophobicContact CG2-CD2 4.05Å; I383-L437 HydrophobicContact CD1-CD1 3.53Å; I383-L437 HydrophobicContact CD1-CD2 4.13Å; I383-L437 HydrophobicContact CD1-CG 4.42Å; I383-L437 HydrophobicContact CG1-CD1 4.15Å; I383-L437 HydrophobicContact CG1-CD2 4.02Å; V433-L437 HydrophobicContact CG1-CD1 4.04Å; V433-L437 VanDerWaalsContact O-CG 3.31Å; V433-L437 WeakPolarHBondContact O-CG 3.36Å; V433-L437 PolarHBondContact O-N 3.08Å; V433-L437 VanDerWaalsContact O-N 3.12Å; R434-L437 PolarHBondContact O-N 3.45Å; R434-L437 VanDerWaalsContact O-N 3.14Å; Q435-L437 PolarHBondContact O-N 2.92Å; Q435-L437 VanDerWaalsContact O-N 3.17Å; L437-F439 VanDerWaalsContact C-N 3.32Å; L437-F439 HydrophobicContact CB-CD2 3.52Å; L437-F439 HydrophobicContact CB-CE2 4.1Å; L437-F439 HydrophobicContact CB-CG 4.43Å; L437-F439 HydrophobicContact CD1-CD2 4.23Å
438	G	90.4	Very high	89.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	7.2	-171	0	0	0	0	0	114.7	L361 R434 Q435	L361-G438 WeakPolarHBondContact O-CA 3.42Å; R434-G438 PolarHBondContact O-N 3.31Å; R434-G438 VanDerWaalsContact O-N 3.15Å; Q435-G438 PolarHBondContact O-N 2.93Å
439	F	92.2	Very high	89.6	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.013	21%	0.209	C	C	.	.			trans	-94.7	16.1	-179.5	-66.6	-58.2	0	0	0	113.8	L361 H369 W376 I379 R434 L437 K441 C442	L361-F439 HydrophobicContact CD1-CE1 4.29Å; L361-F439 HydrophobicContact CD1-CE2 4.28Å; L361-F439 HydrophobicContact CD1-CZ 3.8Å; L361-F439 HydrophobicContact CD2-CE1 4.5Å; H369-F439 HydrophobicContact CB-CE1 3.78Å; H369-F439 AromaticContact CD2-CE1 3.7Å; H369-F439 AromaticContact CD2-CZ 3.77Å; H369-F439 AromaticContact CG-CE1 3.69Å; W376-F439 HydrophobicContact CH2-CE1 4.34Å; W376-F439 HydrophobicContact CH2-CZ 4.1Å; W376-F439 HydrophobicContact CZ3-CE2 4.25Å; W376-F439 HydrophobicContact CZ3-CZ 4.03Å; I379-F439 HydrophobicContact CD1-CE2 4.13Å; I379-F439 HydrophobicContact CD1-CZ 4.22Å; R434-F439 HydrophobicContact CB-CB 4.45Å; R434-F439 PolarHBondContact O-N 2.87Å; L437-F439 VanDerWaalsContact C-N 3.32Å; L437-F439 HydrophobicContact CB-CD2 3.52Å; L437-F439 HydrophobicContact CB-CE2 4.1Å; L437-F439 HydrophobicContact CB-CG 4.43Å; L437-F439 HydrophobicContact CD1-CD2 4.23Å; F439-K441 PolarHBondContact O-N 2.88Å; F439-C442 HydrophobicContact CB-CB 4.01Å; F439-C442 HydrophobicContact CD1-CB 3.57Å; F439-C442 HydrophobicContact CG-CB 4.27Å; F439-C442 PolarHBondContact O-N 3.1Å
440	A	89	Confident	89.3	Confident	51 Å²	51	39.7 Å²	39.7	42%	0.421	21%	0.212	S	C	.	.	S	Bend	trans	-59.2	-36.7	-179.4	0	0	0	0	0	112.9	R434 Q435	R434-A440 PolarHBondContact O-N 3.29Å; Q435-A440 HydrophobicContact CB-CB 4.22Å; Q435-A440 HydrophobicContact CG-CB 4.47Å
441	K	93.3	Very high	88.8	Confident	113 Å²	113	43.7 Å²	43.7	49%	0.491	24%	0.238	S	C	.	.	S	Bend	trans	-99.4	-4.9	178.2	-65.8	178	-179	156.7	0	113.5	E365 P366 T367 F439 Q443	E365-K441 HydrophobicContact CB-CD 3.99Å; E365-K441 HydrophobicContact CB-CG 4.47Å; E365-K441 VanDerWaalsContact OE2-CE 3.31Å; E365-K441 WeakPolarHBondContact OE2-CE 3.02Å; E365-K441 IonicContact OE2-NZ 3.01Å; E365-K441 PolarHBondContact OE2-NZ 2.83Å; P366-K441 CarbonylContact O-C 3.54Å; T367-K441 WeakPolarHBondContact CA-O 3.34Å; F439-K441 PolarHBondContact O-N 2.88Å; K441-Q443 PolarHBondContact O-N 3.44Å
442	C	94.6	Very high	88.5	Confident	16 Å²	16	42.4 Å²	42.4	11%	0.108	23%	0.227	C	C	.	.			trans	-79.4	110.7	-173.3	-167	0	0	0	0	111.3	P366 T367 F439 N445	P366-C442 WeakPolarHBondContact O-CA 3.47Å; P366-C442 VanDerWaalsContact O-CB 3.25Å; P366-C442 WeakPolarHBondContact O-CB 3.16Å; P366-C442 PolarHBondContact O-N 3.22Å; T367-C442 CarbonylContact O-C 3.56Å; T367-C442 WeakPolarHBondContact O-CA 3.46Å; F439-C442 HydrophobicContact CB-CB 4.01Å; F439-C442 HydrophobicContact CD1-CB 3.57Å; F439-C442 HydrophobicContact CG-CB 4.27Å; F439-C442 PolarHBondContact O-N 3.1Å; C442-N445 PolarHBondContact SG-OD1 3.25Å
443	Q	92	Very high	88.1	Confident	113 Å²	113	35.3 Å²	35.3	53%	0.528	20%	0.202	S	C	.	.			trans	-97.1	-25.4	-179.4	-61.5	178	13.5	0	0	112	T367 K441	T367-Q443 PolarHBondContact O-N 3.01Å; K441-Q443 PolarHBondContact O-N 3.44Å
444	K	95.1	Very high	87.7	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.017	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	104.7	-170.6	-65.1	164.4	-166.3	170.3	0	109.5	D308 E317 T367 S368 H369 F446	D308-K444 VanDerWaalsContact O-CE 3.25Å; D308-K444 WeakPolarHBondContact O-CE 3.24Å; D308-K444 PolarHBondContact O-NZ 2.96Å; D308-K444 WeakPolarHBondContact OD2-CE 3.43Å; D308-K444 IonicContact OD2-NZ 3.95Å; E317-K444 IonicContact OE1-NZ 2.92Å; E317-K444 PolarHBondContact OE1-NZ 3.08Å; T367-K444 PolarHBondContact O-N 2.92Å; S368-K444 CarbonylContact C-O 3.45Å; S368-K444 VanDerWaalsContact CA-O 3.29Å; S368-K444 WeakPolarHBondContact CA-O 3.36Å; S368-K444 WeakPolarHBondContact OG-CB 3.12Å; S368-K444 PolarHBondContact OG-O 3.01Å; H369-K444 PolarHBondContact N-O 2.88Å; K444-F446 HydrophobicContact CB-CD2 4.4Å; K444-F446 HydrophobicContact CB-CE2 3.61Å; K444-F446 HydrophobicContact CB-CZ 3.99Å
445	N	96.4	Very high	87.3	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.027	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	99.2	-174.5	-59.3	-85.6	0	0	0	108.1	H369 W376 C442 I465 R466 L467 Y468	H369-N445 CarbonylContact O-C 3.57Å; H369-N445 WeakPolarHBondContact O-CA 3.02Å; W376-N445 HydrophobicContact CH2-CB 3.62Å; W376-N445 HydrophobicContact CZ2-CB 3.92Å; C442-N445 PolarHBondContact SG-OD1 3.25Å; N445-I465 HydrophobicContact CB-CG2 4.02Å; N445-R466 WeakPolarHBondContact CB-O 3.22Å; N445-L467 HydrophobicContact CB-CD2 3.9Å; N445-L467 CarbonylContact O-C 3.06Å; N445-L467 VanDerWaalsContact O-CA 3.3Å; N445-L467 WeakPolarHBondContact O-CA 3.3Å; N445-Y468 PolarHBondContact O-N 3.03Å
446	F	95.9	Very high	87	Confident	9 Å²	9	30.3 Å²	30.3	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	152.7	-175.2	-61.4	-79.2	0	0	0	112.7	G307 I309 Y333 S368 H369 M370 G371 W376 K444 Y468 M482	G307-F446 VanDerWaalsContact O-CZ 3.22Å; G307-F446 WeakPolarHBondContact O-CZ 3.21Å; I309-F446 HydrophobicContact CD1-CE2 4.14Å; Y333-F446 AromaticContact CE2-CD2 3.88Å; Y333-F446 HydrophobicContact CE2-CD2 3.88Å; Y333-F446 HydrophobicContact CE2-CE2 4.17Å; S368-F446 WeakPolarHBondContact OG-CE2 3.5Å; H369-F446 PolarHBondContact O-N 3.48Å; M370-F446 HydrophobicContact CB-CB 4.3Å; M370-F446 HydrophobicContact CG-CB 4.44Å; M370-F446 HydrophobicContact SD-CB 3.34Å; M370-F446 WeakPolarHBondContact SD-CB 3.12Å; G371-F446 PolarHBondContact N-O 3.16Å; W376-F446 PolarHBondContact NE1-O 3.49Å; K444-F446 HydrophobicContact CB-CD2 4.4Å; K444-F446 HydrophobicContact CB-CE2 3.61Å; K444-F446 HydrophobicContact CB-CZ 3.99Å; F446-Y468 CarbonylContact C-O 3.54Å; F446-Y468 VanDerWaalsContact CA-O 3.25Å; F446-Y468 WeakPolarHBondContact CA-O 3.48Å; F446-Y468 HydrophobicContact CE1-CD2 4.31Å; F446-Y468 HydrophobicContact CE1-CG 4.38Å; F446-M482 HydrophobicContact CD1-SD 4.14Å; F446-M482 HydrophobicContact CE1-SD 4.15Å
447	Y	93	Very high	87	Confident	15 Å²	15	28.4 Å²	28.4	6%	0.059	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.8	164.7	77.1	-81.5	0	0	0	112.4	G371 M452 L467 Y468 A469 G470	G371-Y447 WeakPolarHBondContact O-CA 3.41Å; G371-Y447 VanDerWaalsContact O-CB 3.29Å; G371-Y447 WeakPolarHBondContact O-CB 3.38Å; Y447-M452 HydrophobicContact CD1-CE 4.26Å; Y447-M452 HydrophobicContact CD2-CB 3.77Å; Y447-M452 HydrophobicContact CD2-CE 3.77Å; Y447-M452 HydrophobicContact CD2-CG 4.49Å; Y447-M452 HydrophobicContact CE2-CB 3.31Å; Y447-M452 HydrophobicContact CE2-CE 4.38Å; Y447-M452 HydrophobicContact CE2-CG 4.24Å; Y447-M452 HydrophobicContact CG-CE 3.67Å; Y447-L467 HydrophobicContact CD1-CB 3.82Å; Y447-L467 HydrophobicContact CE1-CB 3.98Å; Y447-Y468 WeakPolarHBondContact CD1-O 3.48Å; Y447-Y468 PolarHBondContact N-O 2.88Å; Y447-A469 HydrophobicContact CD1-CB 4.38Å; Y447-A469 HydrophobicContact CE1-CB 3.59Å; Y447-A469 HydrophobicContact CE2-CB 4.12Å; Y447-A469 VanDerWaalsContact CZ-CB 3.44Å; Y447-A469 WeakPolarHBondContact OH-CB 3.47Å; Y447-G470 PolarHBondContact O-N 3.27Å
448	G	86	Confident	87.1	Confident	4 Å²	4	32.5 Å²	32.5	4%	0.041	18%	0.178	C	C	.	.			trans	-175.2	-164.7	178.2	0	0	0	0	0	112.3	P373 A450	P373-G448 WeakPolarHBondContact CD-O 3.49Å; G448-A450 PolarHBondContact O-N 3.04Å
449	A	74.4	Confident	87.1	Confident	32 Å²	32	33.6 Å²	33.6	26%	0.264	18%	0.182	S	C	.	.	S	Bend	trans	66.9	-25.3	-176.4	0	0	0	0	0	116.5	V372 K698	V372-A449 HydrophobicContact CG1-CB 4.28Å; A449-K698 WeakPolarHBondContact O-CE 3.32Å
450	A	77.6	Confident	87.2	Confident	24 Å²	24	33.5 Å²	33.5	20%	0.198	18%	0.182	C	C	.	.	S	Bend	trans	-147.6	159.3	173.8	0	0	0	0	0	111.6	P373 G448	P373-A450 HydrophobicContact CG-CB 4.01Å; P373-A450 VanDerWaalsContact CG-O 3.26Å; P373-A450 WeakPolarHBondContact CG-O 3.39Å; G448-A450 PolarHBondContact O-N 3.04Å
451	P	75.4	Confident	87.3	Confident	84 Å²	84	31.2 Å²	31.2	55%	0.545	16%	0.162	S	C	.	.			trans	-60.8	146.5	173.7	-21.9	33.7	0	0	0	112.6	P373	P373-P451 VanDerWaalsContact CG-O 3.23Å; P373-P451 WeakPolarHBondContact CG-O 3.46Å
452	M	81.4	Confident	87.1	Confident	5 Å²	5	25.9 Å²	25.9	3%	0.025	14%	0.14	C	C	.	.			trans	-111.5	131.1	178.1	178.9	75.6	75	0	0	110.2	P373 W376 Y447 T456 Q457 L467	P373-M452 HydrophobicContact CB-CE 3.99Å; P373-M452 HydrophobicContact CB-SD 3.84Å; P373-M452 HydrophobicContact CG-CB 4.39Å; P373-M452 HydrophobicContact CG-CE 4.19Å; P373-M452 HydrophobicContact CG-SD 4.45Å; W376-M452 HydrophobicContact CB-CE 3.85Å; W376-M452 HydrophobicContact CB-SD 4.4Å; W376-M452 HydrophobicContact CG-CE 3.88Å; Y447-M452 HydrophobicContact CD1-CE 4.26Å; Y447-M452 HydrophobicContact CD2-CB 3.77Å; Y447-M452 HydrophobicContact CD2-CE 3.77Å; Y447-M452 HydrophobicContact CD2-CG 4.49Å; Y447-M452 HydrophobicContact CE2-CB 3.31Å; Y447-M452 HydrophobicContact CE2-CE 4.38Å; Y447-M452 HydrophobicContact CE2-CG 4.24Å; Y447-M452 HydrophobicContact CG-CE 3.67Å; M452-T456 HydrophobicContact CG-CG2 4.48Å; M452-T456 HydrophobicContact SD-CG2 3.49Å; M452-T456 WeakPolarHBondContact SD-CG2 3.41Å; M452-Q457 HydrophobicContact CB-CG 4.29Å; M452-Q457 HydrophobicContact CG-CG 3.57Å; M452-Q457 PolarHBondContact O-NE2 3.12Å; M452-L467 HydrophobicContact CE-CD1 4.06Å
453	T	78.3	Confident	86.9	Confident	19 Å²	19	25.1 Å²	25.1	12%	0.117	14%	0.135	C	C	.	.			trans	-62.3	149.5	-179.4	78.9	0	0	0	0	112.8	E455 T456 Q457	T453-E455 VanDerWaalsContact C-N 3.26Å; T453-E455 PolarHBondContact O-N 3.31Å; T453-T456 PolarHBondContact O-N 2.81Å; T453-T456 WeakPolarHBondContact OG1-CB 3.23Å; T453-T456 PolarHBondContact OG1-N 3.46Å; T453-T456 VanDerWaalsContact OG1-N 3.14Å; T453-T456 PolarHBondContact OG1-OG1 2.77Å; T453-Q457 WeakPolarHBondContact O-CG 3.34Å; T453-Q457 PolarHBondContact O-N 3.08Å; T453-Q457 VanDerWaalsContact O-N 3.13Å
454	A	79.7	Confident	86.7	Confident	15 Å²	15	22 Å²	22	12%	0.124	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-33.7	175.7	0	0	0	0	0	113	R458 Y491 M586	A454-R458 WeakPolarHBondContact O-CG 3.45Å; A454-R458 PolarHBondContact O-N 3.16Å; A454-Y491 HydrophobicContact CB-CD1 4.21Å; A454-Y491 HydrophobicContact CB-CE1 3.47Å; A454-Y491 VanDerWaalsContact CB-CE1 3.47Å; A454-M586 HydrophobicContact CB-CE 4.16Å; A454-M586 HydrophobicContact CB-SD 4.47Å
455	E	82	Confident	86.6	Confident	58 Å²	58	22 Å²	22	27%	0.271	12%	0.122	S	C	.	.	H	α-helix	trans	-59.6	-52.7	175.4	-176.9	-177.3	-172.2	0	0	110.2	T453 Q457 R458 F459 K611 Q628	T453-E455 VanDerWaalsContact C-N 3.26Å; T453-E455 PolarHBondContact O-N 3.31Å; E455-Q457 PolarHBondContact O-N 2.66Å; E455-R458 PolarHBondContact O-N 2.88Å; E455-F459 WeakPolarHBondContact O-CB 3.29Å; E455-F459 PolarHBondContact O-N 2.79Å; E455-K611 IonicContact OE2-NZ 2.74Å; E455-Q628 PolarHBondContact OE1-NE2 3.07Å; E455-Q628 VanDerWaalsContact OE1-NE2 3.14Å
456	T	83.7	Confident	86.4	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-44.5	-179.3	-51.9	0	0	0	0	111.5	W376 E377 M380 M452 T453 R458 F459 F460	W376-T456 HydrophobicContact CB-CG2 4.12Å; E377-T456 HydrophobicContact CG-CG2 4.3Å; M380-T456 HydrophobicContact SD-CG2 4.46Å; M452-T456 HydrophobicContact CG-CG2 4.48Å; M452-T456 HydrophobicContact SD-CG2 3.49Å; M452-T456 WeakPolarHBondContact SD-CG2 3.41Å; T453-T456 PolarHBondContact O-N 2.81Å; T453-T456 WeakPolarHBondContact OG1-CB 3.23Å; T453-T456 PolarHBondContact OG1-N 3.46Å; T453-T456 VanDerWaalsContact OG1-N 3.14Å; T453-T456 PolarHBondContact OG1-OG1 2.77Å; T456-R458 PolarHBondContact O-N 2.91Å; T456-F459 PolarHBondContact O-N 2.93Å; T456-F460 HydrophobicContact CG2-CD2 3.77Å; T456-F460 HydrophobicContact CG2-CE2 3.69Å; T456-F460 VanDerWaalsContact O-CD2 3.31Å; T456-F460 WeakPolarHBondContact O-CD2 3.28Å; T456-F460 PolarHBondContact O-N 2.78Å; T456-F460 VanDerWaalsContact O-N 3.1Å
457	Q	88.4	Confident	86.4	Confident	10 Å²	10	24.9 Å²	24.9	5%	0.047	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-45.1	177.8	-66.2	-176.4	50.6	0	0	112.1	M452 T453 E455 L461 L490	M452-Q457 HydrophobicContact CB-CG 4.29Å; M452-Q457 HydrophobicContact CG-CG 3.57Å; M452-Q457 PolarHBondContact O-NE2 3.12Å; T453-Q457 WeakPolarHBondContact O-CG 3.34Å; T453-Q457 PolarHBondContact O-N 3.08Å; T453-Q457 VanDerWaalsContact O-N 3.13Å; E455-Q457 PolarHBondContact O-N 2.66Å; Q457-L461 VanDerWaalsContact O-CB 3.29Å; Q457-L461 WeakPolarHBondContact O-CB 3.36Å; Q457-L461 PolarHBondContact O-N 2.84Å; Q457-L490 HydrophobicContact CB-CD1 3.8Å
458	R	89.3	Confident	86.5	Confident	100 Å²	100	24.7 Å²	24.7	38%	0.377	13%	0.131	S	C	.	.	H	α-helix	trans	-67.2	-37.9	177.3	-74.7	-174	178.7	177.2	6.1	112.4	L406 A454 E455 T456 L461 G462 L490 Y491	L406-R458 HydrophobicContact CD1-CB 4.26Å; L406-R458 HydrophobicContact CD1-CG 4.42Å; L406-R458 HydrophobicContact CD2-CB 4.34Å; A454-R458 WeakPolarHBondContact O-CG 3.45Å; A454-R458 PolarHBondContact O-N 3.16Å; E455-R458 PolarHBondContact O-N 2.88Å; T456-R458 PolarHBondContact O-N 2.91Å; R458-L461 PolarHBondContact O-N 2.81Å; R458-G462 PolarHBondContact O-N 2.96Å; R458-L490 HydrophobicContact CG-CD2 4.27Å; R458-Y491 VanDerWaalsContact CZ-OH 3.28Å; R458-Y491 PolarHBondContact NE-OH 3.36Å; R458-Y491 PolarHBondContact NH2-OH 3.08Å
459	F	91.2	Very high	86.9	Confident	25 Å²	25	24.6 Å²	24.6	11%	0.11	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-52.4	177.8	178.5	-89.3	0	0	0	111.4	M380 I383 Q384 M402 E455 T456 G462 L463	M380-F459 HydrophobicContact CB-CD1 3.79Å; M380-F459 HydrophobicContact CB-CE1 3.76Å; M380-F459 HydrophobicContact CB-CG 4.37Å; M380-F459 HydrophobicContact CB-CZ 4.32Å; M380-F459 HydrophobicContact CG-CB 4.32Å; M380-F459 HydrophobicContact CG-CD1 3.5Å; M380-F459 VanDerWaalsContact CG-CD1 3.5Å; M380-F459 HydrophobicContact CG-CD2 3.79Å; M380-F459 HydrophobicContact CG-CE1 3.62Å; M380-F459 HydrophobicContact CG-CE2 3.9Å; M380-F459 HydrophobicContact CG-CG 3.59Å; M380-F459 HydrophobicContact CG-CZ 3.83Å; M380-F459 HydrophobicContact SD-CB 3.71Å; M380-F459 HydrophobicContact SD-CD1 3.99Å; M380-F459 HydrophobicContact SD-CD2 4.06Å; M380-F459 HydrophobicContact SD-CG 3.65Å; I383-F459 HydrophobicContact CB-CZ 4Å; I383-F459 HydrophobicContact CD1-CE1 3.97Å; I383-F459 HydrophobicContact CD1-CZ 4.27Å; I383-F459 HydrophobicContact CG2-CZ 3.82Å; Q384-F459 HydrophobicContact CG-CE2 3.92Å; Q384-F459 HydrophobicContact CG-CZ 4.35Å; M402-F459 HydrophobicContact CE-CD2 3.44Å; M402-F459 VanDerWaalsContact CE-CD2 3.44Å; M402-F459 HydrophobicContact CE-CE1 4.5Å; M402-F459 HydrophobicContact CE-CE2 3.44Å; M402-F459 VanDerWaalsContact CE-CE2 3.44Å; M402-F459 HydrophobicContact CE-CG 4Å; M402-F459 HydrophobicContact CE-CZ 4Å; M402-F459 WeakPolarHBondContact CE-O 3.18Å; M402-F459 HydrophobicContact SD-CE2 4.33Å; E455-F459 WeakPolarHBondContact O-CB 3.29Å; E455-F459 PolarHBondContact O-N 2.79Å; T456-F459 PolarHBondContact O-N 2.93Å; F459-G462 PolarHBondContact O-N 3.05Å; F459-L463 HydrophobicContact CD1-CD1 4.14Å; F459-L463 HydrophobicContact CE1-CD1 3.53Å; F459-L463 HydrophobicContact CE1-CG 4.34Å; F459-L463 HydrophobicContact CZ-CD1 4.15Å; F459-L463 PolarHBondContact O-N 2.58Å
460	F	93.4	Very high	87.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.6	-36.7	178.7	-78.6	-77	0	0	0	112.3	W376 I379 M380 T456 G462 L463 N464 I465 L467	W376-F460 HydrophobicContact CB-CE2 3.87Å; W376-F460 HydrophobicContact CB-CZ 4.32Å; W376-F460 HydrophobicContact CE3-CD1 4.14Å; W376-F460 HydrophobicContact CE3-CD2 4.43Å; W376-F460 AromaticContact CE3-CE1 3.69Å; W376-F460 HydrophobicContact CE3-CE1 3.69Å; W376-F460 HydrophobicContact CE3-CE2 4.02Å; W376-F460 AromaticContact CE3-CZ 3.64Å; W376-F460 HydrophobicContact CE3-CZ 3.64Å; W376-F460 HydrophobicContact CZ3-CD1 4.29Å; W376-F460 AromaticContact CZ3-CE1 4Å; W376-F460 HydrophobicContact CZ3-CE1 4Å; W376-F460 HydrophobicContact CZ3-CZ 4.39Å; W376-F460 VanDerWaalsContact O-CE2 3.24Å; W376-F460 WeakPolarHBondContact O-CE2 3.32Å; W376-F460 VanDerWaalsContact O-CZ 3.26Å; W376-F460 WeakPolarHBondContact O-CZ 3.34Å; I379-F460 HydrophobicContact CB-CZ 4.03Å; I379-F460 HydrophobicContact CG2-CE1 3.91Å; I379-F460 HydrophobicContact CG2-CZ 3.77Å; M380-F460 HydrophobicContact CB-CE2 4.07Å; M380-F460 HydrophobicContact CB-CZ 4.29Å; T456-F460 HydrophobicContact CG2-CD2 3.77Å; T456-F460 HydrophobicContact CG2-CE2 3.69Å; T456-F460 VanDerWaalsContact O-CD2 3.31Å; T456-F460 WeakPolarHBondContact O-CD2 3.28Å; T456-F460 PolarHBondContact O-N 2.78Å; T456-F460 VanDerWaalsContact O-N 3.1Å; F460-G462 PolarHBondContact O-N 2.72Å; F460-L463 HydrophobicContact CD1-CD1 4.24Å; F460-L463 HydrophobicContact CE1-CD1 4.43Å; F460-L463 CarbonylContact O-C 3.31Å; F460-L463 WeakPolarHBondContact O-CA 3.36Å; F460-L463 WeakPolarHBondContact O-CB 3.42Å; F460-L463 PolarHBondContact O-N 3.37Å; F460-N464 PolarHBondContact O-N 3Å; F460-I465 CarbonylContact C-O 3.55Å; F460-I465 HydrophobicContact CB-CB 4.2Å; F460-I465 HydrophobicContact CB-CG2 4.34Å; F460-I465 HydrophobicContact CD1-CB 4.16Å; F460-I465 HydrophobicContact CD1-CD1 3.99Å; F460-I465 HydrophobicContact CD1-CG2 4.06Å; F460-I465 HydrophobicContact CE1-CD1 4.48Å; F460-I465 CarbonylContact O-C 3.51Å; F460-I465 WeakPolarHBondContact O-CA 3.41Å; F460-I465 PolarHBondContact O-N 3.08Å; F460-L467 HydrophobicContact CB-CD1 3.96Å; F460-L467 HydrophobicContact CB-CD2 4.3Å; F460-L467 HydrophobicContact CB-CG 3.88Å; F460-L467 HydrophobicContact CD2-CD1 3.7Å; F460-L467 HydrophobicContact CD2-CG 4.45Å; F460-L467 HydrophobicContact CG-CD1 3.97Å; F460-L467 HydrophobicContact CG-CD2 4.29Å; F460-L467 HydrophobicContact CG-CG 4.22Å
461	L	91.1	Very high	88.7	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-60.1	-36.5	173.3	-167.2	62.9	0	0	0	111.7	L406 N409 L410 Q457 R458 L463 N464 I465 R466 Y488 L490	L406-L461 HydrophobicContact CD1-CB 4.02Å; L406-L461 HydrophobicContact CD1-CD2 3.88Å; L406-L461 HydrophobicContact CD1-CG 4.08Å; N409-L461 HydrophobicContact CB-CD1 3.64Å; N409-L461 HydrophobicContact CB-CD2 3.98Å; N409-L461 HydrophobicContact CB-CG 3.61Å; N409-L461 PolarHBondContact ND2-O 2.87Å; L410-L461 HydrophobicContact CD2-CD2 4Å; L410-L461 HydrophobicContact CG-CD2 4.39Å; Q457-L461 VanDerWaalsContact O-CB 3.29Å; Q457-L461 WeakPolarHBondContact O-CB 3.36Å; Q457-L461 PolarHBondContact O-N 2.84Å; R458-L461 PolarHBondContact O-N 2.81Å; L461-L463 VanDerWaalsContact C-N 3.3Å; L461-L463 PolarHBondContact O-N 2.96Å; L461-N464 PolarHBondContact O-N 2.96Å; L461-N464 VanDerWaalsContact O-N 3.08Å; L461-I465 PolarHBondContact N-O 3.17Å; L461-R466 HydrophobicContact CD1-CG 3.89Å; L461-Y488 HydrophobicContact CD1-CE1 4.46Å; L461-L490 HydrophobicContact CD2-CD1 4.26Å
462	G	90.2	Very high	89.6	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-26	170.6	0	0	0	0	0	114.3	M402 T405 R458 F459 F460 N464	M402-G462 WeakPolarHBondContact CA-O 3.18Å; T405-G462 VanDerWaalsContact CB-O 3.29Å; T405-G462 WeakPolarHBondContact CB-O 3.39Å; T405-G462 VanDerWaalsContact CG2-O 3.31Å; T405-G462 WeakPolarHBondContact CG2-O 3.4Å; R458-G462 PolarHBondContact O-N 2.96Å; F459-G462 PolarHBondContact O-N 3.05Å; F460-G462 PolarHBondContact O-N 2.72Å; G462-N464 PolarHBondContact O-N 2.82Å
463	L	90.2	Very high	90.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	5.7	171	-65.4	176.7	0	0	0	113.5	I383 L398 M402 L430 V433 R434 F459 F460 L461 I465	I383-L463 HydrophobicContact CD1-CD1 3.84Å; L398-L463 HydrophobicContact CD1-CD2 4.37Å; M402-L463 HydrophobicContact CE-CD2 4.2Å; M402-L463 HydrophobicContact CE-CG 4.18Å; M402-L463 HydrophobicContact CG-CD2 3.89Å; M402-L463 HydrophobicContact SD-CD2 3.92Å; L430-L463 HydrophobicContact CD2-CD2 3.98Å; V433-L463 HydrophobicContact CG1-CD2 4.17Å; R434-L463 PolarHBondContact NH1-O 2.84Å; F459-L463 HydrophobicContact CD1-CD1 4.14Å; F459-L463 HydrophobicContact CE1-CD1 3.53Å; F459-L463 HydrophobicContact CE1-CG 4.34Å; F459-L463 HydrophobicContact CZ-CD1 4.15Å; F459-L463 PolarHBondContact O-N 2.58Å; F460-L463 HydrophobicContact CD1-CD1 4.24Å; F460-L463 HydrophobicContact CE1-CD1 4.43Å; F460-L463 CarbonylContact O-C 3.31Å; F460-L463 WeakPolarHBondContact O-CA 3.36Å; F460-L463 WeakPolarHBondContact O-CB 3.42Å; F460-L463 PolarHBondContact O-N 3.37Å; L461-L463 VanDerWaalsContact C-N 3.3Å; L461-L463 PolarHBondContact O-N 2.96Å; L463-I465 HydrophobicContact CB-CD1 4.06Å; L463-I465 HydrophobicContact CB-CG1 4.15Å; L463-I465 HydrophobicContact CD1-CD1 4.43Å; L463-I465 PolarHBondContact O-N 3.28Å
464	N	88.4	Confident	91.1	Very high	46 Å²	46	21.4 Å²	21.4	25%	0.246	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	31	-168.6	-162.4	44	0	0	0	112.6	T405 N409 F460 L461 G462	T405-N464 HydrophobicContact CG2-CB 3.7Å; N409-N464 PolarHBondContact ND2-OD1 3.17Å; F460-N464 PolarHBondContact O-N 3Å; L461-N464 PolarHBondContact O-N 2.96Å; L461-N464 VanDerWaalsContact O-N 3.08Å; G462-N464 PolarHBondContact O-N 2.82Å
465	I	92.5	Very high	92	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.026	11%	0.109	C	C	.	.			trans	-109.1	107.7	174.4	-62.8	172.8	0	0	0	107.4	R434 N445 F460 L461 L463 L467	R434-I465 HydrophobicContact CG-CD1 4.13Å; R434-I465 HydrophobicContact CG-CG1 4.32Å; N445-I465 HydrophobicContact CB-CG2 4.02Å; F460-I465 CarbonylContact C-O 3.55Å; F460-I465 HydrophobicContact CB-CB 4.2Å; F460-I465 HydrophobicContact CB-CG2 4.34Å; F460-I465 HydrophobicContact CD1-CB 4.16Å; F460-I465 HydrophobicContact CD1-CD1 3.99Å; F460-I465 HydrophobicContact CD1-CG2 4.06Å; F460-I465 HydrophobicContact CE1-CD1 4.48Å; F460-I465 CarbonylContact O-C 3.51Å; F460-I465 WeakPolarHBondContact O-CA 3.41Å; F460-I465 PolarHBondContact O-N 3.08Å; L461-I465 PolarHBondContact N-O 3.17Å; L463-I465 HydrophobicContact CB-CD1 4.06Å; L463-I465 HydrophobicContact CB-CG1 4.15Å; L463-I465 HydrophobicContact CD1-CD1 4.43Å; L463-I465 PolarHBondContact O-N 3.28Å; I465-L467 HydrophobicContact CG2-CD2 4.01Å
466	R	93	Very high	92.7	Very high	71 Å²	71	18.8 Å²	18.8	27%	0.268	10%	0.096	S	C	.	.			trans	-82.9	120.5	174.5	-68.1	177.4	-175.9	170.8	-3.1	109.3	N409 N445 L461 Y468	N409-R466 PolarHBondContact OD1-NH2 3.26Å; N445-R466 WeakPolarHBondContact CB-O 3.22Å; L461-R466 HydrophobicContact CD1-CG 3.89Å; R466-Y468 HydrophobicContact CB-CE1 4.01Å; R466-Y468 HydrophobicContact CB-CE2 4.44Å
467	L	94.5	Very high	93.4	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.9	174.3	-60.8	-173.9	0	0	0	109.9	W376 N445 Y447 M452 F460 I465 Y488	W376-L467 HydrophobicContact CD2-CD1 4.29Å; W376-L467 HydrophobicContact CD2-CD2 3.74Å; W376-L467 HydrophobicContact CE3-CD2 3.71Å; W376-L467 HydrophobicContact CG-CD1 4.29Å; W376-L467 HydrophobicContact CH2-CD2 3.73Å; W376-L467 HydrophobicContact CZ2-CD2 3.72Å; W376-L467 HydrophobicContact CZ3-CD2 3.71Å; N445-L467 HydrophobicContact CB-CD2 3.9Å; N445-L467 CarbonylContact O-C 3.06Å; N445-L467 VanDerWaalsContact O-CA 3.3Å; N445-L467 WeakPolarHBondContact O-CA 3.3Å; Y447-L467 HydrophobicContact CD1-CB 3.82Å; Y447-L467 HydrophobicContact CE1-CB 3.98Å; M452-L467 HydrophobicContact CE-CD1 4.06Å; F460-L467 HydrophobicContact CB-CD1 3.96Å; F460-L467 HydrophobicContact CB-CD2 4.3Å; F460-L467 HydrophobicContact CB-CG 3.88Å; F460-L467 HydrophobicContact CD2-CD1 3.7Å; F460-L467 HydrophobicContact CD2-CG 4.45Å; F460-L467 HydrophobicContact CG-CD1 3.97Å; F460-L467 HydrophobicContact CG-CD2 4.29Å; F460-L467 HydrophobicContact CG-CG 4.22Å; I465-L467 HydrophobicContact CG2-CD2 4.01Å; L467-Y488 WeakPolarHBondContact O-CE2 3.13Å
468	Y	96	Very high	93.7	Very high	11 Å²	11	18.6 Å²	18.6	4%	0.043	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.4	179.5	-58.9	-61.3	0	0	0	110.4	N445 F446 Y447 R466 S484 P485 Y488	N445-Y468 PolarHBondContact O-N 3.03Å; F446-Y468 CarbonylContact C-O 3.54Å; F446-Y468 VanDerWaalsContact CA-O 3.25Å; F446-Y468 WeakPolarHBondContact CA-O 3.48Å; F446-Y468 HydrophobicContact CE1-CD2 4.31Å; F446-Y468 HydrophobicContact CE1-CG 4.38Å; Y447-Y468 WeakPolarHBondContact CD1-O 3.48Å; Y447-Y468 PolarHBondContact N-O 2.88Å; R466-Y468 HydrophobicContact CB-CE1 4.01Å; R466-Y468 HydrophobicContact CB-CE2 4.44Å; Y468-S484 WeakPolarHBondContact CE1-O 3.28Å; Y468-P485 HydrophobicContact CE1-CG 4.48Å; Y468-P485 HydrophobicContact CE2-CG 4.24Å; Y468-Y488 AromaticContact CD1-CD2 3.87Å; Y468-Y488 HydrophobicContact CD1-CD2 3.87Å; Y468-Y488 HydrophobicContact CE1-CD2 4.04Å; Y468-Y488 HydrophobicContact CE1-CG 4.43Å
469	A	94.9	Very high	94	Very high	2 Å²	2	14.7 Å²	14.7	2%	0.017	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.2	178.9	0	0	0	0	0	111.2	Y447 S483 S492	Y447-A469 HydrophobicContact CD1-CB 4.38Å; Y447-A469 HydrophobicContact CE1-CB 3.59Å; Y447-A469 HydrophobicContact CE2-CB 4.12Å; Y447-A469 VanDerWaalsContact CZ-CB 3.44Å; Y447-A469 WeakPolarHBondContact OH-CB 3.47Å; A469-S483 PolarHBondContact N-OG 3.06Å; A469-S483 WeakPolarHBondContact O-CB 3.4Å; A469-S483 PolarHBondContact O-N 2.79Å; A469-S483 PolarHBondContact O-OG 2.86Å; A469-S492 VanDerWaalsContact CB-O 3.28Å; A469-S492 WeakPolarHBondContact CB-O 3.48Å
470	G	93.9	Very high	94.3	Very high	20 Å²	20	13.5 Å²	13.5	21%	0.206	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.3	163.1	0	0	0	0	0	110.2	Y447 F481	Y447-G470 PolarHBondContact O-N 3.27Å; G470-F481 WeakPolarHBondContact CA-O 3.34Å
471	Y	95.7	Very high	94.5	Very high	17 Å²	17	13.5 Å²	13.5	7%	0.067	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.8	174.9	168.4	-99.3	0	0	0	111.8	H480 F481 I515 T545 D547 L557 I559	Y471-H480 PolarHBondContact O-N 2.86Å; Y471-F481 HydrophobicContact CD1-CB 4.38Å; Y471-F481 AromaticContact CD1-CD2 3.85Å; Y471-F481 HydrophobicContact CD1-CD2 3.85Å; Y471-F481 HydrophobicContact CD1-CG 4.41Å; Y471-F481 HydrophobicContact CE1-CD2 4.46Å; Y471-F481 PolarHBondContact N-O 3.14Å; Y471-F481 PolarHBondContact O-N 3.4Å; Y471-I515 HydrophobicContact CE1-CD1 4.32Å; Y471-I515 HydrophobicContact CE1-CG2 4.23Å; Y471-T545 PolarHBondContact OH-OG1 3.1Å; Y471-D547 WeakPolarHBondContact CE2-OD2 3.35Å; Y471-D547 WeakPolarHBondContact OH-CB 3.21Å; Y471-D547 PolarHBondContact OH-OD2 2.91Å; Y471-L557 HydrophobicContact CD1-CD2 3.5Å; Y471-L557 VanDerWaalsContact CD1-CD2 3.5Å; Y471-L557 HydrophobicContact CE1-CD2 3.9Å; Y471-L557 HydrophobicContact CG-CD2 4.12Å; Y471-I559 HydrophobicContact CD2-CD1 3.23Å; Y471-I559 HydrophobicContact CD2-CG1 4.22Å; Y471-I559 HydrophobicContact CE2-CD1 3.69Å; Y471-I559 HydrophobicContact CE2-CG1 4.4Å; Y471-I559 HydrophobicContact CG-CD1 3.8Å
472	G	94.7	Very high	94.8	Very high	26 Å²	26	14.3 Å²	14.3	27%	0.268	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-177.5	171.3	0	0	0	0	0	110.7	G478	G472-G478 CarbonylContact C-O 3.55Å; G472-G478 VanDerWaalsContact CA-O 3.24Å; G472-G478 WeakPolarHBondContact CA-O 3.25Å
473	L	94.9	Very high	95	Very high	26 Å²	26	14.3 Å²	14.3	14%	0.136	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	170.4	-169.7	-50.7	96.8	0	0	0	110.2	E475 S476 T477 G478 L517 L543 T545	L473-E475 HydrophobicContact CB-CB 4.41Å; L473-E475 WeakPolarHBondContact CB-OE2 3.48Å; L473-E475 PolarHBondContact O-N 3.29Å; L473-S476 PolarHBondContact N-OG 3.02Å; L473-S476 CarbonylContact O-C 3.53Å; L473-S476 PolarHBondContact O-N 3.03Å; L473-S476 VanDerWaalsContact O-N 3.13Å; L473-S476 PolarHBondContact O-OG 3.42Å; L473-T477 PolarHBondContact O-N 3Å; L473-G478 PolarHBondContact N-O 2.85Å; L473-G478 PolarHBondContact O-N 3.47Å; L473-L517 HydrophobicContact CD1-CD1 3.79Å; L473-L543 HydrophobicContact CD1-CD2 4.4Å; L473-T545 HydrophobicContact CD1-CG2 3.51Å
474	S	95.7	Very high	95.3	Very high	8 Å²	8	14.6 Å²	14.6	6%	0.056	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-57.2	-41.1	166.5	-64.9	0	0	0	0	110.6	T279 V289 S476 T477	T279-S474 WeakPolarHBondContact CG2-OG 3.28Å; V289-S474 WeakPolarHBondContact CG1-O 3.38Å; S474-S476 PolarHBondContact O-N 3.33Å; S474-T477 PolarHBondContact O-N 3.31Å
475	E	97.6	Very high	95.4	Very high	19 Å²	19	14.4 Å²	14.4	9%	0.089	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-66.1	-14.4	178.2	-64.3	84.5	168.3	0	0	113.8	V289 L473 I522 F523 Y526 L543	V289-E475 HydrophobicContact CG1-CG 4.41Å; V289-E475 HydrophobicContact CG2-CG 4.1Å; L473-E475 HydrophobicContact CB-CB 4.41Å; L473-E475 WeakPolarHBondContact CB-OE2 3.48Å; L473-E475 PolarHBondContact O-N 3.29Å; E475-I522 WeakPolarHBondContact O-CA 3.48Å; E475-F523 HydrophobicContact CB-CD1 3.88Å; E475-F523 HydrophobicContact CB-CD2 4.26Å; E475-F523 HydrophobicContact CB-CE1 3.98Å; E475-F523 HydrophobicContact CB-CE2 4.33Å; E475-F523 HydrophobicContact CB-CG 4.03Å; E475-F523 HydrophobicContact CB-CZ 4.2Å; E475-F523 HydrophobicContact CG-CD1 4.36Å; E475-F523 HydrophobicContact CG-CD2 3.99Å; E475-F523 HydrophobicContact CG-CE1 4.15Å; E475-F523 HydrophobicContact CG-CE2 3.74Å; E475-F523 HydrophobicContact CG-CG 4.28Å; E475-F523 HydrophobicContact CG-CZ 3.84Å; E475-F523 WeakPolarHBondContact O-CB 3.5Å; E475-F523 WeakPolarHBondContact O-CD1 3.4Å; E475-F523 PolarHBondContact O-N 2.94Å; E475-Y526 HydrophobicContact CG-CE1 3.99Å; E475-Y526 WeakPolarHBondContact CG-OH 3.37Å; E475-Y526 VanDerWaalsContact OE1-CE1 3.31Å; E475-Y526 WeakPolarHBondContact OE1-CE1 3.25Å; E475-Y526 VanDerWaalsContact OE1-CZ 3.3Å; E475-Y526 PolarHBondContact OE1-OH 3.08Å; E475-L543 HydrophobicContact CB-CD1 3.96Å; E475-L543 HydrophobicContact CB-CD2 3.74Å
476	S	97.9	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-112.8	25.1	170.9	71.5	0	0	0	0	112.2	L473 S474 G478 T521	L473-S476 PolarHBondContact N-OG 3.02Å; L473-S476 CarbonylContact O-C 3.53Å; L473-S476 PolarHBondContact O-N 3.03Å; L473-S476 VanDerWaalsContact O-N 3.13Å; L473-S476 PolarHBondContact O-OG 3.42Å; S474-S476 PolarHBondContact O-N 3.33Å; S476-G478 PolarHBondContact O-N 3.48Å; S476-G478 VanDerWaalsContact O-N 3.08Å; S476-G478 PolarHBondContact OG-O 2.89Å; S476-T521 CarbonylContact C-O 3.53Å; S476-T521 WeakPolarHBondContact CA-O 3.33Å; S476-T521 VanDerWaalsContact O-CB 3.32Å; S476-T521 WeakPolarHBondContact O-CB 3.34Å
477	T	98.2	Very high	95.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	31.9	178.3	-46.2	0	0	0	0	113.6	L291 N295 I296 T299 I328 I332 L473 S474 T521	L291-T477 HydrophobicContact CD1-CG2 4.2Å; L291-T477 WeakPolarHBondContact CD2-OG1 3.42Å; N295-T477 HydrophobicContact CB-CG2 4.05Å; N295-T477 WeakPolarHBondContact CB-OG1 3.3Å; N295-T477 WeakPolarHBondContact O-CG2 3.31Å; I296-T477 HydrophobicContact CD1-CG2 4.09Å; T299-T477 HydrophobicContact CG2-CG2 4.41Å; T299-T477 WeakPolarHBondContact CG2-O 3.33Å; I328-T477 HydrophobicContact CD1-CG2 4.32Å; I328-T477 HydrophobicContact CG1-CG2 4.3Å; I332-T477 HydrophobicContact CD1-CG2 3.95Å; I332-T477 HydrophobicContact CG1-CG2 4.44Å; L473-T477 PolarHBondContact O-N 3Å; S474-T477 PolarHBondContact O-N 3.31Å; T477-T521 WeakPolarHBondContact CB-O 3.15Å; T477-T521 PolarHBondContact N-O 3.14Å; T477-T521 PolarHBondContact OG1-O 2.89Å
478	G	94.4	Very high	95.2	Very high	7 Å²	7	23.5 Å²	23.5	7%	0.072	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.3	-131.7	-171.9	0	0	0	0	0	111.5	G472 L473 S476 H480	G472-G478 CarbonylContact C-O 3.55Å; G472-G478 VanDerWaalsContact CA-O 3.24Å; G472-G478 WeakPolarHBondContact CA-O 3.25Å; L473-G478 PolarHBondContact N-O 2.85Å; L473-G478 PolarHBondContact O-N 3.47Å; S476-G478 PolarHBondContact O-N 3.48Å; S476-G478 VanDerWaalsContact O-N 3.08Å; S476-G478 PolarHBondContact OG-O 2.89Å; G478-H480 PolarHBondContact O-N 2.89Å
479	P	95.3	Very high	95	Very high	18 Å²	18	26.9 Å²	26.9	12%	0.117	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.4	-163.6	29	-35	0	0	0	113.6	T299 M482	T299-P479 HydrophobicContact CG2-CG 4.2Å; P479-M482 HydrophobicContact CB-CE 3.41Å; P479-M482 VanDerWaalsContact CB-CE 3.41Å; P479-M482 HydrophobicContact CG-CE 3.72Å
480	H	97.5	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-23.4	169	-153.2	96.5	0	0	0	112	Y471 G478 V497 C500 R501 L517 W518 T521	Y471-H480 PolarHBondContact O-N 2.86Å; G478-H480 PolarHBondContact O-N 2.89Å; H480-V497 WeakPolarHBondContact O-CG2 3.48Å; H480-V497 PolarHBondContact O-N 3.17Å; H480-C500 PolarHBondContact CE1-SG 3Å; H480-C500 WeakPolarHBondContact NE2-CB 3.44Å; H480-R501 PolarHBondContact NE2-O 3.27Å; H480-L517 HydrophobicContact CB-CD1 3.91Å; H480-L517 HydrophobicContact CB-CD2 4.48Å; H480-W518 PolarHBondContact CE1-O 3.43Å; H480-T521 PolarHBondContact CE1-OG1 2.9Å; H480-T521 PolarHBondContact ND1-OG1 3.18Å
481	F	97.9	Very high	94.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.3	166.4	-76.1	-102.1	0	0	0	109.5	G470 Y471 R495 V496 V502 L517 L551 L557	G470-F481 WeakPolarHBondContact CA-O 3.34Å; Y471-F481 HydrophobicContact CD1-CB 4.38Å; Y471-F481 AromaticContact CD1-CD2 3.85Å; Y471-F481 HydrophobicContact CD1-CD2 3.85Å; Y471-F481 HydrophobicContact CD1-CG 4.41Å; Y471-F481 HydrophobicContact CE1-CD2 4.46Å; Y471-F481 PolarHBondContact N-O 3.14Å; Y471-F481 PolarHBondContact O-N 3.4Å; F481-R495 CarbonylContact C-O 3.48Å; F481-R495 VanDerWaalsContact CA-O 3.25Å; F481-R495 WeakPolarHBondContact CA-O 3.31Å; F481-V496 HydrophobicContact CD1-CB 4.4Å; F481-V496 VanDerWaalsContact CD1-N 3.29Å; F481-V496 HydrophobicContact CE1-CB 4.03Å; F481-V496 HydrophobicContact CZ-CB 4.24Å; F481-V502 HydrophobicContact CE2-CB 4.1Å; F481-V502 HydrophobicContact CE2-CG2 4Å; F481-V502 HydrophobicContact CZ-CB 3.78Å; F481-V502 HydrophobicContact CZ-CG1 3.77Å; F481-V502 HydrophobicContact CZ-CG2 3.75Å; F481-L517 HydrophobicContact CE2-CD2 3.95Å; F481-L551 HydrophobicContact CE1-CD2 3.95Å; F481-L551 HydrophobicContact CZ-CD2 4.21Å; F481-L557 HydrophobicContact CB-CD2 4.49Å; F481-L557 HydrophobicContact CD1-CB 3.58Å; F481-L557 HydrophobicContact CD1-CD2 4Å; F481-L557 HydrophobicContact CD1-CG 4.43Å; F481-L557 HydrophobicContact CD2-CD2 3.73Å; F481-L557 HydrophobicContact CE1-CB 3.56Å; F481-L557 HydrophobicContact CE1-CD2 4.11Å; F481-L557 HydrophobicContact CE1-CG 4.33Å; F481-L557 HydrophobicContact CE2-CD2 3.8Å; F481-L557 HydrophobicContact CG-CB 4.23Å; F481-L557 HydrophobicContact CG-CD2 3.81Å; F481-L557 HydrophobicContact CZ-CB 4.14Å; F481-L557 HydrophobicContact CZ-CD2 3.98Å; F481-L557 HydrophobicContact CZ-CG 4.45Å
482	M	96.7	Very high	94.3	Very high	19 Å²	19	30.4 Å²	30.4	9%	0.094	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.9	-178.3	-167.8	61.6	81.2	0	0	111.4	A306 F446 P479 N487 R495 V497	A306-M482 HydrophobicContact CB-CB 4.12Å; A306-M482 HydrophobicContact CB-CG 4.43Å; F446-M482 HydrophobicContact CD1-SD 4.14Å; F446-M482 HydrophobicContact CE1-SD 4.15Å; P479-M482 HydrophobicContact CB-CE 3.41Å; P479-M482 VanDerWaalsContact CB-CE 3.41Å; P479-M482 HydrophobicContact CG-CE 3.72Å; M482-N487 PolarHBondContact O-ND2 2.65Å; M482-R495 PolarHBondContact N-O 3.49Å; M482-R495 PolarHBondContact O-N 3.23Å; M482-R495 VanDerWaalsContact O-N 3.08Å; M482-V497 HydrophobicContact CB-CG2 4.17Å
483	S	96.2	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.137	C	C	.	.			trans	-94.1	150.2	165	-46.7	0	0	0	0	109.7	A469 G494	A469-S483 PolarHBondContact N-OG 3.06Å; A469-S483 WeakPolarHBondContact O-CB 3.4Å; A469-S483 PolarHBondContact O-N 2.79Å; A469-S483 PolarHBondContact O-OG 2.86Å; S483-G494 WeakPolarHBondContact OG-CA 3.29Å; S483-G494 PolarHBondContact OG-N 2.89Å
484	S	94.8	Very high	94.3	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.049	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-149	174.6	180	79.7	0	0	0	0	109.8	A306 Y468 Y486 N487	A306-S484 WeakPolarHBondContact O-CB 3.47Å; Y468-S484 WeakPolarHBondContact CE1-O 3.28Å; S484-Y486 PolarHBondContact O-N 3.01Å; S484-Y486 PolarHBondContact OG-N 2.57Å; S484-Y486 VanDerWaalsContact OG-N 3.17Å; S484-N487 WeakPolarHBondContact CA-OD1 3.29Å; S484-N487 WeakPolarHBondContact CB-OD1 3.15Å; S484-N487 PolarHBondContact N-OD1 3.37Å; S484-N487 CarbonylContact O-C 3.6Å; S484-N487 PolarHBondContact O-N 2.8Å; S484-N487 PolarHBondContact OG-N 2.93Å; S484-N487 PolarHBondContact OG-OD1 3.37Å
485	P	91.4	Very high	94.4	Very high	42 Å²	42	33.8 Å²	33.8	27%	0.273	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24	172	-27	36	0	0	0	114.7	D308 Y468	D308-P485 HydrophobicContact CB-CG 4.38Å; Y468-P485 HydrophobicContact CE1-CG 4.48Å; Y468-P485 HydrophobicContact CE2-CG 4.24Å
486	Y	90.9	Very high	94.4	Very high	189 Å²	189	35.2 Å²	35.2	74%	0.741	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-11.7	-176.4	-51.4	-70.7	0	0	0	114.5	D308 S484	D308-Y486 HydrophobicContact CB-CE2 4.36Å; D308-Y486 WeakPolarHBondContact OD1-CE2 3.49Å; S484-Y486 PolarHBondContact O-N 3.01Å; S484-Y486 PolarHBondContact OG-N 2.57Å; S484-Y486 VanDerWaalsContact OG-N 3.17Å
487	N	91.9	Very high	94.3	Very high	29 Å²	29	35.2 Å²	35.2	16%	0.155	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-142.5	72.7	179.8	64.8	-11.6	0	0	0	110.4	M482 S484 R495 F556	M482-N487 PolarHBondContact O-ND2 2.65Å; S484-N487 WeakPolarHBondContact CA-OD1 3.29Å; S484-N487 WeakPolarHBondContact CB-OD1 3.15Å; S484-N487 PolarHBondContact N-OD1 3.37Å; S484-N487 CarbonylContact O-C 3.6Å; S484-N487 PolarHBondContact O-N 2.8Å; S484-N487 PolarHBondContact OG-N 2.93Å; S484-N487 PolarHBondContact OG-OD1 3.37Å; N487-R495 HydrophobicContact CB-CG 4.4Å; N487-F556 HydrophobicContact CB-CE1 4.32Å; N487-F556 HydrophobicContact CB-CZ 4.05Å; N487-F556 VanDerWaalsContact O-CE1 3.32Å; N487-F556 WeakPolarHBondContact O-CE1 3.49Å
488	Y	92.9	Very high	94.1	Very high	53 Å²	53	39.6 Å²	39.6	21%	0.208	19%	0.187	C	C	.	.			trans	-115.7	128.6	-177.6	178.7	-102.6	0	0	0	111.4	L461 L467 Y468	L461-Y488 HydrophobicContact CD1-CE1 4.46Å; L467-Y488 WeakPolarHBondContact O-CE2 3.13Å; Y468-Y488 AromaticContact CD1-CD2 3.87Å; Y468-Y488 HydrophobicContact CD1-CD2 3.87Å; Y468-Y488 HydrophobicContact CE1-CD2 4.04Å; Y468-Y488 HydrophobicContact CE1-CG 4.43Å
489	R	91.9	Very high	93.9	Very high	81 Å²	81	41.6 Å²	41.6	31%	0.306	21%	0.209	S	C	.	.			trans	-133.4	134.4	164.7	-74	-171.8	179.5	178.6	-1.8	108.9	Y491 S492 D552 D554 F556	R489-Y491 PolarHBondContact O-N 2.82Å; R489-S492 WeakPolarHBondContact O-CB 3.32Å; R489-S492 PolarHBondContact O-N 3.31Å; R489-S492 VanDerWaalsContact O-N 3.16Å; R489-D552 IonicContact CZ-OD2 2.77Å; R489-D552 VanDerWaalsContact NH1-CG 3.3Å; R489-D552 IonicContact NH1-OD1 3.07Å; R489-D552 IonicContact NH1-OD2 2.69Å; R489-D552 PolarHBondContact NH1-OD2 2.8Å; R489-D554 IonicContact CZ-OD2 3.16Å; R489-D554 IonicContact NH1-OD2 3.61Å; R489-D554 PolarHBondContact NH1-OD2 3.08Å; R489-D554 IonicContact NH2-OD2 3.52Å; R489-D554 PolarHBondContact NH2-OD2 3.19Å; R489-F556 HydrophobicContact CB-CD1 3.97Å; R489-F556 HydrophobicContact CB-CE1 4.03Å; R489-F556 HydrophobicContact CB-CG 4.36Å; R489-F556 VanDerWaalsContact CD-CD2 3.49Å; R489-F556 HydrophobicContact CG-CD1 3.99Å; R489-F556 HydrophobicContact CG-CD2 4.09Å; R489-F556 HydrophobicContact CG-CE1 3.83Å; R489-F556 HydrophobicContact CG-CE2 3.95Å; R489-F556 HydrophobicContact CG-CG 4.11Å; R489-F556 HydrophobicContact CG-CZ 3.8Å
490	L	89.2	Confident	93.9	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.141	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	137.9	174.5	-167.5	66.7	0	0	0	109.4	L410 Q457 R458 L461 S492	L410-L490 HydrophobicContact CD2-CD2 3.79Å; Q457-L490 HydrophobicContact CB-CD1 3.8Å; R458-L490 HydrophobicContact CG-CD2 4.27Å; L461-L490 HydrophobicContact CD2-CD1 4.26Å; L490-S492 PolarHBondContact O-N 2.86Å; L490-S492 VanDerWaalsContact O-N 3.12Å
491	Y	87.4	Confident	93.9	Very high	84 Å²	84	45.7 Å²	45.7	33%	0.329	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	-9.7	-176.8	-39.9	-52	0	0	0	116.6	A454 R458 R489	A454-Y491 HydrophobicContact CB-CD1 4.21Å; A454-Y491 HydrophobicContact CB-CE1 3.47Å; A454-Y491 VanDerWaalsContact CB-CE1 3.47Å; R458-Y491 VanDerWaalsContact CZ-OH 3.28Å; R458-Y491 PolarHBondContact NE-OH 3.36Å; R458-Y491 PolarHBondContact NH2-OH 3.08Å; R489-Y491 PolarHBondContact O-N 2.82Å
492	S	93.3	Very high	93.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	23%	0.233	C	C	.	.			trans	-78.6	150.9	175.8	179.1	0	0	0	0	111.7	A469 R489 L490 G494 F556 L557	A469-S492 VanDerWaalsContact CB-O 3.28Å; A469-S492 WeakPolarHBondContact CB-O 3.48Å; R489-S492 WeakPolarHBondContact O-CB 3.32Å; R489-S492 PolarHBondContact O-N 3.31Å; R489-S492 VanDerWaalsContact O-N 3.16Å; L490-S492 PolarHBondContact O-N 2.86Å; L490-S492 VanDerWaalsContact O-N 3.12Å; S492-G494 PolarHBondContact O-N 3.08Å; S492-G494 PolarHBondContact OG-N 3.07Å; S492-F556 WeakPolarHBondContact OG-CB 3.23Å; S492-F556 WeakPolarHBondContact OG-CD1 3.46Å; S492-L557 CarbonylContact C-O 3.54Å; S492-L557 WeakPolarHBondContact CA-O 3.25Å; S492-L557 PolarHBondContact OG-O 3.41Å
493	S	94.5	Very high	93.9	Very high	13 Å²	13	49 Å²	49	9%	0.091	24%	0.24	C	C	.	.			trans	-81.7	8.1	166.6	-62.6	0	0	0	0	113.9	L557 I559	S493-L557 PolarHBondContact N-O 3.2Å; S493-I559 VanDerWaalsContact OG-CD1 3.24Å; S493-I559 WeakPolarHBondContact OG-CD1 3.2Å
494	G	95.9	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.			trans	89.8	-161.4	-178.8	0	0	0	0	0	113.1	S483 S492 F556 L557	S483-G494 WeakPolarHBondContact OG-CA 3.29Å; S483-G494 PolarHBondContact OG-N 2.89Å; S492-G494 PolarHBondContact O-N 3.08Å; S492-G494 PolarHBondContact OG-N 3.07Å; G494-F556 WeakPolarHBondContact O-CA 3.32Å; G494-L557 PolarHBondContact O-N 2.88Å
495	R	97.3	Very high	94.1	Very high	118 Å²	118	51 Å²	51	45%	0.445	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	159.8	179.7	-61.6	179.7	74.3	-143.9	1.3	110.6	F481 M482 N487 V497 D554 F556	F481-R495 CarbonylContact C-O 3.48Å; F481-R495 VanDerWaalsContact CA-O 3.25Å; F481-R495 WeakPolarHBondContact CA-O 3.31Å; M482-R495 PolarHBondContact N-O 3.49Å; M482-R495 PolarHBondContact O-N 3.23Å; M482-R495 VanDerWaalsContact O-N 3.08Å; N487-R495 HydrophobicContact CB-CG 4.4Å; R495-V497 PolarHBondContact O-N 2.66Å; R495-D554 PolarHBondContact NE-O 2.94Å; R495-D554 PolarHBondContact NH2-O 3.05Å; R495-F556 HydrophobicContact CG-CD1 3.91Å; R495-F556 HydrophobicContact CG-CD2 4.06Å; R495-F556 HydrophobicContact CG-CE1 3.93Å; R495-F556 HydrophobicContact CG-CE2 4.06Å; R495-F556 HydrophobicContact CG-CG 4Å; R495-F556 HydrophobicContact CG-CZ 4Å
496	V	97.6	Very high	94.2	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.297	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	134.2	176.3	65.1	0	0	0	0	110.5	F481 C500	F481-V496 HydrophobicContact CD1-CB 4.4Å; F481-V496 VanDerWaalsContact CD1-N 3.29Å; F481-V496 HydrophobicContact CE1-CB 4.03Å; F481-V496 HydrophobicContact CZ-CB 4.24Å; V496-C500 HydrophobicContact CG2-CB 3.68Å; V496-C500 WeakPolarHBondContact CG2-O 3.26Å
497	V	96	Very high	94.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-61.4	133.5	176	173.7	0	0	0	0	108.9	W298 A306 H480 M482 R495 G499 C500	W298-V497 HydrophobicContact CH2-CG1 3.7Å; W298-V497 HydrophobicContact CZ3-CG1 4.07Å; A306-V497 HydrophobicContact CB-CB 4.33Å; A306-V497 HydrophobicContact CB-CG1 3.97Å; A306-V497 HydrophobicContact CB-CG2 3.94Å; H480-V497 WeakPolarHBondContact O-CG2 3.48Å; H480-V497 PolarHBondContact O-N 3.17Å; M482-V497 HydrophobicContact CB-CG2 4.17Å; R495-V497 PolarHBondContact O-N 2.66Å; V497-G499 PolarHBondContact O-N 2.62Å; V497-C500 VanDerWaalsContact O-CB 3.25Å; V497-C500 WeakPolarHBondContact O-CB 3.23Å; V497-C500 PolarHBondContact O-N 2.8Å
498	P	92.5	Very high	94.3	Very high	91 Å²	91	54.5 Å²	54.5	59%	0.591	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	128.4	178.6	-27.6	35.9	0	0	0	112.7	W298	W298-P498 WeakPolarHBondContact CZ2-O 3.41Å
499	G	91.6	Very high	94.1	Very high	50 Å²	50	57.1 Å²	57.1	52%	0.515	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-12.1	-174.5	0	0	0	0	0	114.3	V497	V497-G499 PolarHBondContact O-N 2.62Å
500	C	95.3	Very high	93.8	Very high	12 Å²	12	58.7 Å²	58.7	8%	0.081	32%	0.323	C	S	.	.			trans	-92.2	156.7	168.9	-74.2	0	0	0	0	111.9	W298 H480 V496 V497	W298-C500 WeakPolarHBondContact CH2-SG 3.4Å; H480-C500 PolarHBondContact CE1-SG 3Å; H480-C500 WeakPolarHBondContact NE2-CB 3.44Å; V496-C500 HydrophobicContact CG2-CB 3.68Å; V496-C500 WeakPolarHBondContact CG2-O 3.26Å; V497-C500 VanDerWaalsContact O-CB 3.25Å; V497-C500 WeakPolarHBondContact O-CB 3.23Å; V497-C500 PolarHBondContact O-N 2.8Å
501	R	96.6	Very high	94	Very high	91 Å²	91	58.4 Å²	58.4	34%	0.343	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.5	173.3	-60	-172.6	-69.1	-171.7	5.1	110.6	E92 H480 W518 W542	E92-R501 IonicContact OE1-CZ 3.73Å; E92-R501 IonicContact OE1-NE 2.82Å; E92-R501 PolarHBondContact OE1-NE 3.05Å; E92-R501 IonicContact OE1-NH1 3.21Å; E92-R501 PolarHBondContact OE1-NH1 3.46Å; E92-R501 IonicContact OE1-NH2 3.16Å; H480-R501 PolarHBondContact NE2-O 3.27Å; R501-W518 HydrophobicContact CB-CB 4.32Å; R501-W518 HydrophobicContact CB-CE3 4.46Å; R501-W518 HydrophobicContact CG-CE3 4.28Å; R501-W518 PolarHBondContact N-O 2.89Å; R501-W518 PolarHBondContact O-N 2.84Å; R501-W542 HydrophobicContact CB-CH2 3.81Å; R501-W542 HydrophobicContact CB-CZ3 4.15Å
502	V	97.7	Very high	94.2	Very high	35 Å²	35	55.4 Å²	55.4	21%	0.212	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.4	174.9	59.4	0	0	0	0	109.1	F481 I515 C516 L517 L551	F481-V502 HydrophobicContact CE2-CB 4.1Å; F481-V502 HydrophobicContact CE2-CG2 4Å; F481-V502 HydrophobicContact CZ-CB 3.78Å; F481-V502 HydrophobicContact CZ-CG1 3.77Å; F481-V502 HydrophobicContact CZ-CG2 3.75Å; V502-I515 HydrophobicContact CG2-CG2 4.1Å; V502-C516 WeakPolarHBondContact CA-O 3.24Å; V502-L517 HydrophobicContact CG2-CD2 4.31Å; V502-L551 HydrophobicContact CG1-CD1 3.99Å
503	K	97.4	Very high	94.3	Very high	54 Å²	54	55.3 Å²	55.3	24%	0.235	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.2	162.9	67.8	-177.7	-178.7	-171.4	0	109	V505 C516 D538 E540 W542	K503-V505 HydrophobicContact CD-CG1 3.99Å; K503-V505 HydrophobicContact CG-CG1 4.03Å; K503-C516 HydrophobicContact CD-CB 4.38Å; K503-C516 HydrophobicContact CG-CB 3.63Å; K503-C516 PolarHBondContact N-O 3.03Å; K503-C516 PolarHBondContact O-N 3.08Å; K503-D538 IonicContact NZ-OD2 3.22Å; K503-D538 PolarHBondContact NZ-OD2 3.26Å; K503-E540 IonicContact NZ-OE2 3.84Å; K503-W542 HydrophobicContact CB-CH2 4.15Å; K503-W542 HydrophobicContact CB-CZ3 4.1Å; K503-W542 HydrophobicContact CD-CD2 3.76Å; K503-W542 HydrophobicContact CD-CE3 3.97Å; K503-W542 HydrophobicContact CD-CG 4.28Å; K503-W542 HydrophobicContact CD-CH2 4.22Å; K503-W542 HydrophobicContact CD-CZ2 4Å; K503-W542 HydrophobicContact CD-CZ3 4.21Å; K503-W542 VanDerWaalsContact CE-CD2 3.48Å; K503-W542 VanDerWaalsContact CE-CG 3.47Å; K503-W542 HydrophobicContact CG-CD2 4.11Å; K503-W542 HydrophobicContact CG-CE3 3.76Å; K503-W542 HydrophobicContact CG-CH2 4.11Å; K503-W542 HydrophobicContact CG-CZ2 4.41Å; K503-W542 HydrophobicContact CG-CZ3 3.78Å
504	L	98	Very high	94.5	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.11	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.1	169	-60.3	180	0	0	0	108.1	Q507 E514 I515 L551	L504-Q507 HydrophobicContact CB-CG 3.76Å; L504-Q507 PolarHBondContact O-NE2 2.56Å; L504-E514 CarbonylContact C-O 3.54Å; L504-E514 VanDerWaalsContact CA-O 3.3Å; L504-E514 WeakPolarHBondContact CA-O 3.31Å; L504-I515 HydrophobicContact CD2-CB 4.35Å; L504-I515 HydrophobicContact CD2-CG1 3.8Å; L504-L551 HydrophobicContact CD1-CB 4.39Å; L504-L551 HydrophobicContact CD1-CD1 4.3Å; L504-L551 HydrophobicContact CD1-CG 4.13Å; L504-L551 HydrophobicContact CG-CD1 4.26Å; L504-L551 HydrophobicContact CG-CG 4.48Å
505	V	96.8	Very high	94.6	Very high	28 Å²	28	55.5 Å²	55.5	17%	0.17	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	151.4	179.5	-57.8	0	0	0	0	110.9	K503 Q507 G513 E514	K503-V505 HydrophobicContact CD-CG1 3.99Å; K503-V505 HydrophobicContact CG-CG1 4.03Å; V505-Q507 VanDerWaalsContact C-N 3.34Å; V505-Q507 PolarHBondContact O-N 3.47Å; V505-G513 CarbonylContact O-C 3.54Å; V505-G513 VanDerWaalsContact O-CA 3.3Å; V505-G513 WeakPolarHBondContact O-CA 3.46Å; V505-E514 HydrophobicContact CG2-CB 3.7Å; V505-E514 HydrophobicContact CG2-CG 4.21Å; V505-E514 PolarHBondContact N-O 3.07Å; V505-E514 PolarHBondContact O-N 2.67Å
506	N	94.1	Very high	94.6	Very high	146 Å²	146	49.9 Å²	49.9	78%	0.781	29%	0.294	S	S	*	.	S	Bend	trans	53.2	47.2	-179.4	-55.2	-37.6	0	0	0	113.4
507	Q	94.3	Very high	94.7	Very high	112 Å²	112	47.6 Å²	47.6	52%	0.523	28%	0.28	S	S	.	.			trans	-65.2	137	-179.8	-71.5	174.6	57.7	0	0	111.8	L504 V505 I512	L504-Q507 HydrophobicContact CB-CG 3.76Å; L504-Q507 PolarHBondContact O-NE2 2.56Å; V505-Q507 VanDerWaalsContact C-N 3.34Å; V505-Q507 PolarHBondContact O-N 3.47Å; Q507-I512 CarbonylContact C-O 3.54Å; Q507-I512 VanDerWaalsContact CA-O 3.24Å; Q507-I512 WeakPolarHBondContact CA-O 3.39Å
508	D	90.2	Very high	94.8	Very high	77 Å²	77	48.6 Å²	48.6	41%	0.412	28%	0.284	S	S	.	.			trans	-81.4	-173.5	169.8	68.2	16	0	0	0	112.4	D510 G511 I512	D508-D510 PolarHBondContact O-N 3.32Å; D508-D510 WeakPolarHBondContact OD1-CA 3.43Å; D508-D510 PolarHBondContact OD1-N 3.44Å; D508-G511 PolarHBondContact O-N 2.75Å; D508-G511 VanDerWaalsContact O-N 3.14Å; D508-G511 PolarHBondContact OD1-N 2.74Å; D508-I512 PolarHBondContact N-O 2.75Å; D508-I512 WeakPolarHBondContact OD1-CB 3.33Å; D508-I512 PolarHBondContact OD1-N 2.85Å
509	A	88.6	Confident	94.9	Very high	107 Å²	107	44.3 Å²	44.3	88%	0.884	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.6	-179.6	0	0	0	0	0	113.8
510	D	86.1	Confident	95.2	Very high	114 Å²	114	42.5 Å²	42.5	61%	0.61	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	5.4	179.1	-66	-41.9	0	0	0	112.2	D508 I512	D508-D510 PolarHBondContact O-N 3.32Å; D508-D510 WeakPolarHBondContact OD1-CA 3.43Å; D508-D510 PolarHBondContact OD1-N 3.44Å; D510-I512 VanDerWaalsContact C-N 3.29Å; D510-I512 HydrophobicContact CB-CD1 4.18Å; D510-I512 HydrophobicContact CB-CG1 4.27Å
511	G	92.3	Very high	95.2	Very high	21 Å²	21	41.9 Å²	41.9	22%	0.216	23%	0.23	C	C	.	.	S	Bend	trans	74.7	17.1	-178.1	0	0	0	0	0	113.6	D508	D508-G511 PolarHBondContact O-N 2.75Å; D508-G511 VanDerWaalsContact O-N 3.14Å; D508-G511 PolarHBondContact OD1-N 2.74Å
512	I	92.9	Very high	95.3	Very high	22 Å²	22	37.7 Å²	37.7	11%	0.113	21%	0.214	C	C	.	.			trans	-87	123.4	176.9	-57.8	168.7	0	0	0	108.2	Q507 D508 D510 M548 G549 R550 T560	Q507-I512 CarbonylContact C-O 3.54Å; Q507-I512 VanDerWaalsContact CA-O 3.24Å; Q507-I512 WeakPolarHBondContact CA-O 3.39Å; D508-I512 PolarHBondContact N-O 2.75Å; D508-I512 WeakPolarHBondContact OD1-CB 3.33Å; D508-I512 PolarHBondContact OD1-N 2.85Å; D510-I512 VanDerWaalsContact C-N 3.29Å; D510-I512 HydrophobicContact CB-CD1 4.18Å; D510-I512 HydrophobicContact CB-CG1 4.27Å; I512-M548 HydrophobicContact CG2-CB 4.34Å; I512-M548 HydrophobicContact CG2-CE 4.3Å; I512-G549 WeakPolarHBondContact CA-O 3.48Å; I512-R550 HydrophobicContact CG1-CB 4.19Å; I512-T560 HydrophobicContact CD1-CG2 4.13Å; I512-T560 HydrophobicContact CG1-CG2 4.31Å; I512-T560 HydrophobicContact CG2-CG2 4.32Å; I512-T560 VanDerWaalsContact CG2-OG1 3.28Å; I512-T560 WeakPolarHBondContact CG2-OG1 3.36Å
513	G	95.3	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	174.5	177.7	0	0	0	0	0	112.2	V505 I515 M548 G549	V505-G513 CarbonylContact O-C 3.54Å; V505-G513 VanDerWaalsContact O-CA 3.3Å; V505-G513 WeakPolarHBondContact O-CA 3.46Å; G513-I515 PolarHBondContact O-N 2.84Å; G513-M548 VanDerWaalsContact C-CE 3.48Å; G513-M548 WeakPolarHBondContact O-CA 3.2Å; G513-G549 PolarHBondContact N-O 2.83Å; G513-G549 PolarHBondContact O-N 3.16Å
514	E	97.1	Very high	95.4	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.7	170.6	172.6	-176.8	-147.9	0	0	109.1	L504 V505 C516 H544 G546 M548	L504-E514 CarbonylContact C-O 3.54Å; L504-E514 VanDerWaalsContact CA-O 3.3Å; L504-E514 WeakPolarHBondContact CA-O 3.31Å; V505-E514 HydrophobicContact CG2-CB 3.7Å; V505-E514 HydrophobicContact CG2-CG 4.21Å; V505-E514 PolarHBondContact N-O 3.07Å; V505-E514 PolarHBondContact O-N 2.67Å; E514-C516 PolarHBondContact O-N 3.32Å; E514-H544 WeakPolarHBondContact OE1-CB 3.32Å; E514-H544 IonicContact OE1-CG 2.67Å; E514-H544 IonicContact OE1-ND1 2.78Å; E514-H544 IonicContact OE2-CE1 2.61Å; E514-H544 IonicContact OE2-CG 2.97Å; E514-H544 IonicContact OE2-ND1 2.72Å; E514-H544 PolarHBondContact OE2-ND1 3.37Å; E514-G546 WeakPolarHBondContact OE1-CA 3.46Å; E514-G546 PolarHBondContact OE1-N 2.89Å; E514-G546 VanDerWaalsContact OE1-N 3.13Å; E514-M548 HydrophobicContact CB-SD 3.95Å
515	I	98.2	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.1	177.7	-57.1	160.4	0	0	0	108.4	Y471 V502 L504 G513 L517 T545 D547 L557	Y471-I515 HydrophobicContact CE1-CD1 4.32Å; Y471-I515 HydrophobicContact CE1-CG2 4.23Å; V502-I515 HydrophobicContact CG2-CG2 4.1Å; L504-I515 HydrophobicContact CD2-CB 4.35Å; L504-I515 HydrophobicContact CD2-CG1 3.8Å; G513-I515 PolarHBondContact O-N 2.84Å; I515-L517 HydrophobicContact CG2-CD2 3.62Å; I515-L517 HydrophobicContact CG2-CG 4.4Å; I515-T545 HydrophobicContact CG2-CG2 4.46Å; I515-T545 WeakPolarHBondContact O-CB 3.34Å; I515-T545 WeakPolarHBondContact O-CG2 3.08Å; I515-T545 PolarHBondContact O-N 3.16Å; I515-T545 PolarHBondContact O-OG1 3.13Å; I515-D547 HydrophobicContact CD1-CB 4.23Å; I515-D547 PolarHBondContact N-O 2.91Å; I515-L557 HydrophobicContact CD1-CD1 3.89Å; I515-L557 HydrophobicContact CD1-CD2 4.14Å; I515-L557 HydrophobicContact CD1-CG 4.49Å; I515-L557 HydrophobicContact CG1-CD1 4.16Å
516	C	98.5	Very high	95.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.1	171.9	-62.2	0	0	0	0	110.5	V502 K503 E514 W542 L543	V502-C516 WeakPolarHBondContact CA-O 3.24Å; K503-C516 HydrophobicContact CD-CB 4.38Å; K503-C516 HydrophobicContact CG-CB 3.63Å; K503-C516 PolarHBondContact N-O 3.03Å; K503-C516 PolarHBondContact O-N 3.08Å; E514-C516 PolarHBondContact O-N 3.32Å; C516-W542 HydrophobicContact CB-CB 4.36Å; C516-W542 HydrophobicContact CB-CE3 4.08Å; C516-L543 CarbonylContact C-O 3.54Å; C516-L543 WeakPolarHBondContact CA-O 3.39Å
517	L	98.5	Very high	95.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.4	-173.5	-53.2	-178.5	0	0	0	111	L473 H480 F481 V502 I515 I522 W542 L543 T545	L473-L517 HydrophobicContact CD1-CD1 3.79Å; H480-L517 HydrophobicContact CB-CD1 3.91Å; H480-L517 HydrophobicContact CB-CD2 4.48Å; F481-L517 HydrophobicContact CE2-CD2 3.95Å; V502-L517 HydrophobicContact CG2-CD2 4.31Å; I515-L517 HydrophobicContact CG2-CD2 3.62Å; I515-L517 HydrophobicContact CG2-CG 4.4Å; L517-I522 HydrophobicContact CB-CD1 3.8Å; L517-W542 WeakPolarHBondContact O-CA 3.48Å; L517-L543 HydrophobicContact CB-CB 4.37Å; L517-L543 HydrophobicContact CD1-CD2 4.43Å; L517-L543 PolarHBondContact N-O 3.19Å; L517-L543 PolarHBondContact O-N 2.9Å; L517-T545 HydrophobicContact CD1-CG2 3.61Å; L517-T545 HydrophobicContact CD2-CG2 4.45Å; L517-T545 HydrophobicContact CG-CG2 3.57Å
518	W	97.7	Very high	95.7	Very high	23 Å²	23	24.3 Å²	24.3	9%	0.087	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.9	174.5	-172.9	108.3	0	0	0	110.7	R90 E92 H480 R501 E540 W542	R90-W518 HydrophobicContact CB-CD2 4.41Å; R90-W518 HydrophobicContact CB-CE3 4.48Å; R90-W518 HydrophobicContact CB-CH2 3.76Å; R90-W518 HydrophobicContact CB-CZ2 3.66Å; R90-W518 HydrophobicContact CB-CZ3 4.18Å; R90-W518 HydrophobicContact CG-CZ2 3.97Å; E92-W518 HydrophobicContact CG-CZ3 4.42Å; H480-W518 PolarHBondContact CE1-O 3.43Å; R501-W518 HydrophobicContact CB-CB 4.32Å; R501-W518 HydrophobicContact CB-CE3 4.46Å; R501-W518 HydrophobicContact CG-CE3 4.28Å; R501-W518 PolarHBondContact N-O 2.89Å; R501-W518 PolarHBondContact O-N 2.84Å; W518-E540 PolarHBondContact NE1-O 3.46Å; W518-W542 HydrophobicContact CB-CD2 3.66Å; W518-W542 HydrophobicContact CB-CE3 3.37Å; W518-W542 HydrophobicContact CB-CG 4.35Å; W518-W542 HydrophobicContact CB-CH2 3.94Å; W518-W542 HydrophobicContact CB-CZ2 4.2Å; W518-W542 HydrophobicContact CB-CZ3 3.51Å; W518-W542 HydrophobicContact CG-CD2 4.23Å; W518-W542 HydrophobicContact CG-CE3 4.39Å
519	G	96.2	Very high	96	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	150.4	-174.4	177.7	0	0	0	0	0	112.8	R90 T521 I522	R90-G519 WeakPolarHBondContact CD-O 3.2Å; G519-T521 PolarHBondContact O-N 3.21Å; G519-T521 VanDerWaalsContact O-N 3.13Å; G519-I522 WeakPolarHBondContact O-CG1 3.24Å; G519-I522 PolarHBondContact O-N 3.1Å
520	R	96.2	Very high	96.4	Very high	12 Å²	12	23.1 Å²	23.1	5%	0.045	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-5.3	179.9	-63.8	170.3	72.9	173.8	-2.5	114.2	L91 Q97 D294 N295 W298	L91-R520 VanDerWaalsContact CD2-CD 3.49Å; L91-R520 HydrophobicContact CD2-CG 3.97Å; Q97-R520 PolarHBondContact O-NH1 3.36Å; D294-R520 IonicContact OD1-CZ 3.35Å; D294-R520 IonicContact OD1-NE 2.8Å; D294-R520 IonicContact OD1-NH2 2.77Å; D294-R520 PolarHBondContact OD1-NH2 3.32Å; D294-R520 IonicContact OD2-CZ 2.82Å; D294-R520 IonicContact OD2-NE 2.71Å; D294-R520 PolarHBondContact OD2-NE 2.94Å; D294-R520 IonicContact OD2-NH2 3.25Å; D294-R520 PolarHBondContact OD2-NH2 2.86Å; N295-R520 PolarHBondContact ND2-O 3.27Å; W298-R520 HydrophobicContact CB-CB 4.29Å; W298-R520 VanDerWaalsContact CD1-CD 3.42Å; W298-R520 HydrophobicContact CD2-CB 3.93Å; W298-R520 HydrophobicContact CE3-CB 4.46Å; W298-R520 HydrophobicContact CG-CB 3.84Å
521	T	96.6	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-21.4	173.5	50.2	0	0	0	0	112.9	W298 S476 T477 H480 G519 F523	W298-T521 HydrophobicContact CE3-CG2 3.62Å; W298-T521 HydrophobicContact CH2-CG2 4.38Å; W298-T521 HydrophobicContact CZ3-CG2 3.34Å; S476-T521 CarbonylContact C-O 3.53Å; S476-T521 WeakPolarHBondContact CA-O 3.33Å; S476-T521 VanDerWaalsContact O-CB 3.32Å; S476-T521 WeakPolarHBondContact O-CB 3.34Å; T477-T521 WeakPolarHBondContact CB-O 3.15Å; T477-T521 PolarHBondContact N-O 3.14Å; T477-T521 PolarHBondContact OG1-O 2.89Å; H480-T521 PolarHBondContact CE1-OG1 2.9Å; H480-T521 PolarHBondContact ND1-OG1 3.18Å; G519-T521 PolarHBondContact O-N 3.21Å; G519-T521 VanDerWaalsContact O-N 3.13Å; T521-F523 PolarHBondContact O-N 3.08Å
522	I	98.4	Very high	96.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-72.2	126.1	-174.1	-54.1	-49.9	0	0	0	109.6	R90 N295 E475 L517 G519 L543	R90-I522 PolarHBondContact NH1-O 3.05Å; N295-I522 PolarHBondContact ND2-O 3.38Å; E475-I522 WeakPolarHBondContact O-CA 3.48Å; L517-I522 HydrophobicContact CB-CD1 3.8Å; G519-I522 WeakPolarHBondContact O-CG1 3.24Å; G519-I522 PolarHBondContact O-N 3.1Å; I522-L543 HydrophobicContact CD1-CB 3.75Å; I522-L543 HydrophobicContact CD1-CD2 3.84Å; I522-L543 HydrophobicContact CD1-CG 4.47Å; I522-L543 HydrophobicContact CG1-CB 4.38Å; I522-L543 HydrophobicContact CG2-CB 4.06Å
523	F	98.6	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.			trans	-53	162.8	178.3	77.3	-38.6	0	0	0	113.5	V289 M290 L291 E475 T521 G525 Y526 A536 I537 L543	V289-F523 HydrophobicContact CB-CD2 4.35Å; V289-F523 HydrophobicContact CG1-CB 3.77Å; V289-F523 HydrophobicContact CG1-CD2 3.58Å; V289-F523 HydrophobicContact CG1-CG 4.05Å; M290-F523 WeakPolarHBondContact O-CB 3.39Å; L291-F523 HydrophobicContact CD2-CB 3.73Å; E475-F523 HydrophobicContact CB-CD1 3.88Å; E475-F523 HydrophobicContact CB-CD2 4.26Å; E475-F523 HydrophobicContact CB-CE1 3.98Å; E475-F523 HydrophobicContact CB-CE2 4.33Å; E475-F523 HydrophobicContact CB-CG 4.03Å; E475-F523 HydrophobicContact CB-CZ 4.2Å; E475-F523 HydrophobicContact CG-CD1 4.36Å; E475-F523 HydrophobicContact CG-CD2 3.99Å; E475-F523 HydrophobicContact CG-CE1 4.15Å; E475-F523 HydrophobicContact CG-CE2 3.74Å; E475-F523 HydrophobicContact CG-CG 4.28Å; E475-F523 HydrophobicContact CG-CZ 3.84Å; E475-F523 WeakPolarHBondContact O-CB 3.5Å; E475-F523 WeakPolarHBondContact O-CD1 3.4Å; E475-F523 PolarHBondContact O-N 2.94Å; T521-F523 PolarHBondContact O-N 3.08Å; F523-G525 VanDerWaalsContact C-N 3.3Å; F523-G525 VanDerWaalsContact CD2-C 3.43Å; F523-G525 VanDerWaalsContact CD2-O 3.23Å; F523-G525 WeakPolarHBondContact CD2-O 3.25Å; F523-G525 VanDerWaalsContact CE2-CA 3.49Å; F523-Y526 AromaticContact CE2-CD1 3.81Å; F523-Y526 HydrophobicContact CE2-CD1 3.81Å; F523-Y526 AromaticContact CE2-CD2 3.9Å; F523-Y526 HydrophobicContact CE2-CD2 3.9Å; F523-Y526 AromaticContact CE2-CE1 3.81Å; F523-Y526 HydrophobicContact CE2-CE1 3.81Å; F523-Y526 AromaticContact CE2-CE2 3.91Å; F523-Y526 HydrophobicContact CE2-CE2 3.91Å; F523-Y526 AromaticContact CE2-CG 3.88Å; F523-Y526 HydrophobicContact CE2-CG 3.88Å; F523-Y526 AromaticContact CE2-CZ 3.86Å; F523-Y526 HydrophobicContact CZ-CD2 4.12Å; F523-Y526 HydrophobicContact CZ-CE1 4.48Å; F523-Y526 AromaticContact CZ-CE2 3.88Å; F523-Y526 HydrophobicContact CZ-CE2 3.88Å; F523-A536 HydrophobicContact CZ-CB 4.18Å; F523-I537 HydrophobicContact CD1-CD1 4.07Å; F523-I537 HydrophobicContact CE1-CD1 3.51Å; F523-I537 HydrophobicContact CE1-CG1 3.67Å; F523-I537 HydrophobicContact CZ-CD1 4.18Å; F523-I537 HydrophobicContact CZ-CG1 4.33Å; F523-L543 HydrophobicContact CE1-CD1 3.84Å
524	M	98.4	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-72.5	-27.3	177.7	-58.9	176.2	68.8	0	0	111.9	W79 T80 G85 V87 N271 C273 M290	W79-M524 CarbonylContact C-O 3.3Å; W79-M524 WeakPolarHBondContact CA-O 3.49Å; W79-M524 WeakPolarHBondContact CB-O 3.3Å; T80-M524 HydrophobicContact CG2-CB 4.27Å; T80-M524 HydrophobicContact CG2-CE 3.82Å; T80-M524 PolarHBondContact N-O 2.59Å; T80-M524 CarbonylContact O-C 3.55Å; G85-M524 WeakPolarHBondContact O-CE 3.36Å; V87-M524 HydrophobicContact CG1-CB 3.93Å; V87-M524 HydrophobicContact CG1-CE 3.97Å; V87-M524 HydrophobicContact CG1-CG 4.12Å; V87-M524 HydrophobicContact CG2-CE 4.25Å; V87-M524 HydrophobicContact CG2-CG 3.89Å; N271-M524 WeakPolarHBondContact O-CE 3.41Å; C273-M524 VanDerWaalsContact CA-SD 3.55Å; C273-M524 HydrophobicContact CB-CE 4.28Å; C273-M524 HydrophobicContact CB-SD 3.63Å; C273-M524 PolarHBondContact N-SD 2.89Å; C273-M524 VanDerWaalsContact N-SD 3.43Å; M290-M524 HydrophobicContact CB-CB 3.99Å; M290-M524 HydrophobicContact CE-CB 4.45Å; M290-M524 PolarHBondContact O-N 3.25Å
525	G	98.2	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.2	179.8	-175.2	0	0	0	0	0	111.3	T80 M290 F523	T80-G525 WeakPolarHBondContact O-CA 3.46Å; M290-G525 WeakPolarHBondContact CB-O 3.39Å; M290-G525 PolarHBondContact N-O 3.36Å; F523-G525 VanDerWaalsContact C-N 3.3Å; F523-G525 VanDerWaalsContact CD2-C 3.43Å; F523-G525 VanDerWaalsContact CD2-O 3.23Å; F523-G525 WeakPolarHBondContact CD2-O 3.25Å; F523-G525 VanDerWaalsContact CE2-CA 3.49Å
526	Y	97.8	Very high	96.8	Very high	12 Å²	12	34 Å²	34	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.9	172.9	-63.9	-68.4	0	0	0	110.3	T81 K287 G288 V289 E475 F523 N528 M529 K532 T533 A536	T81-Y526 WeakPolarHBondContact CB-O 3.33Å; T81-Y526 VanDerWaalsContact CG2-O 3.3Å; T81-Y526 WeakPolarHBondContact CG2-O 3.5Å; K287-Y526 HydrophobicContact CB-CD1 3.62Å; K287-Y526 HydrophobicContact CB-CE1 3.84Å; K287-Y526 HydrophobicContact CB-CG 4.37Å; K287-Y526 HydrophobicContact CD-CD1 4.25Å; K287-Y526 HydrophobicContact CD-CE1 4.02Å; K287-Y526 HydrophobicContact CD-CE2 4.43Å; K287-Y526 PolarHBondContact NZ-OH 3.25Å; G288-Y526 CarbonylContact O-C 3.58Å; G288-Y526 WeakPolarHBondContact O-CA 3.26Å; V289-Y526 HydrophobicContact CG2-CD1 4.06Å; V289-Y526 HydrophobicContact CG2-CE1 3.71Å; E475-Y526 HydrophobicContact CG-CE1 3.99Å; E475-Y526 WeakPolarHBondContact CG-OH 3.37Å; E475-Y526 VanDerWaalsContact OE1-CE1 3.31Å; E475-Y526 WeakPolarHBondContact OE1-CE1 3.25Å; E475-Y526 VanDerWaalsContact OE1-CZ 3.3Å; E475-Y526 PolarHBondContact OE1-OH 3.08Å; F523-Y526 AromaticContact CE2-CD1 3.81Å; F523-Y526 HydrophobicContact CE2-CD1 3.81Å; F523-Y526 AromaticContact CE2-CD2 3.9Å; F523-Y526 HydrophobicContact CE2-CD2 3.9Å; F523-Y526 AromaticContact CE2-CE1 3.81Å; F523-Y526 HydrophobicContact CE2-CE1 3.81Å; F523-Y526 AromaticContact CE2-CE2 3.91Å; F523-Y526 HydrophobicContact CE2-CE2 3.91Å; F523-Y526 AromaticContact CE2-CG 3.88Å; F523-Y526 HydrophobicContact CE2-CG 3.88Å; F523-Y526 AromaticContact CE2-CZ 3.86Å; F523-Y526 HydrophobicContact CZ-CD2 4.12Å; F523-Y526 HydrophobicContact CZ-CE1 4.48Å; F523-Y526 AromaticContact CZ-CE2 3.88Å; F523-Y526 HydrophobicContact CZ-CE2 3.88Å; Y526-N528 PolarHBondContact O-N 2.87Å; Y526-M529 PolarHBondContact O-N 3.44Å; Y526-K532 HydrophobicContact CD2-CB 3.85Å; Y526-K532 WeakPolarHBondContact CD2-O 3.23Å; Y526-K532 HydrophobicContact CE2-CB 4.29Å; Y526-K532 WeakPolarHBondContact CE2-O 3.35Å; Y526-T533 PolarHBondContact N-OG1 2.95Å; Y526-A536 HydrophobicContact CE2-CB 3.97Å
527	L	98	Very high	96.8	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	128.6	177.5	-178	64.9	0	0	0	110.3	A83 D199 L276 G288 M290 M529	A83-L527 HydrophobicContact CB-CD1 3.82Å; D199-L527 WeakPolarHBondContact O-CD2 3.31Å; L276-L527 HydrophobicContact CD1-CD2 3.9Å; L276-L527 HydrophobicContact CD2-CB 4.13Å; L276-L527 HydrophobicContact CD2-CD2 4.16Å; G288-L527 PolarHBondContact O-N 3.38Å; M290-L527 HydrophobicContact CG-CB 4.09Å; M290-L527 HydrophobicContact SD-CB 4.18Å; M290-L527 HydrophobicContact SD-CD1 3.79Å; L527-M529 WeakPolarHBondContact O-CG 3.37Å; L527-M529 PolarHBondContact O-N 2.97Å
528	N	96.8	Very high	96.6	Very high	100 Å²	100	35.7 Å²	35.7	54%	0.535	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	16.9	177.8	-53.1	-38.5	0	0	0	115.3	T81 D199 Y526	T81-N528 PolarHBondContact O-N 3.37Å; D199-N528 PolarHBondContact OD1-ND2 3.29Å; Y526-N528 PolarHBondContact O-N 2.87Å
529	M	95.7	Very high	96.4	Very high	43 Å²	43	40.5 Å²	40.5	21%	0.212	22%	0.217	C	C	.	.			trans	-131.8	80.2	-174.8	-65.7	-174.4	-174.5	0	0	112.1	Y195 K287 Y526 L527 K532 T533	Y195-M529 WeakPolarHBondContact OH-CE 3.3Å; K287-M529 HydrophobicContact CB-SD 4.35Å; K287-M529 HydrophobicContact CG-SD 3.91Å; Y526-M529 PolarHBondContact O-N 3.44Å; L527-M529 WeakPolarHBondContact O-CG 3.37Å; L527-M529 PolarHBondContact O-N 2.97Å; M529-K532 HydrophobicContact CB-CB 4.17Å; M529-K532 HydrophobicContact CB-CG 4.49Å; M529-K532 HydrophobicContact SD-CG 4.49Å; M529-T533 WeakPolarHBondContact O-CB 3.45Å; M529-T533 PolarHBondContact O-N 3.42Å; M529-T533 VanDerWaalsContact O-N 3.11Å; M529-T533 PolarHBondContact O-OG1 2.88Å
530	E	96.3	Very high	96.3	Very high	116 Å²	116	46.3 Å²	46.3	54%	0.542	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-50.9	-177.5	-171.3	169.2	174.7	0	0	112.2	W79 T81 K532 T533 C534	W79-E530 HydrophobicContact CH2-CG 3.89Å; W79-E530 HydrophobicContact CZ3-CG 4.05Å; T81-E530 HydrophobicContact CG2-CB 4.21Å; E530-K532 VanDerWaalsContact C-N 3.3Å; E530-K532 PolarHBondContact O-N 3.37Å; E530-T533 WeakPolarHBondContact O-CA 3.44Å; E530-T533 WeakPolarHBondContact O-CB 3.29Å; E530-T533 PolarHBondContact O-N 3.28Å; E530-C534 PolarHBondContact O-N 3.42Å; E530-C534 PolarHBondContact O-SG 3.18Å
531	D	95	Very high	96.3	Very high	127 Å²	127	45.8 Å²	45.8	68%	0.679	24%	0.243	S	C	*	.	H	α-helix	trans	-55.2	-45.2	179.9	-60.6	-19.8	0	0	0	112.2	T533 C534 E535	D531-T533 VanDerWaalsContact C-N 3.28Å; D531-T533 PolarHBondContact O-N 3Å; D531-C534 PolarHBondContact O-N 2.86Å; D531-E535 WeakPolarHBondContact O-CB 3.47Å; D531-E535 WeakPolarHBondContact O-CG 3.28Å; D531-E535 PolarHBondContact O-N 3.44Å
532	K	92.5	Very high	96.3	Very high	86 Å²	86	47.1 Å²	47.1	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-69.9	-26	178.5	-62.2	-48.2	-176.4	-166.4	0	113.2	Y526 M529 E530 E535 A536	Y526-K532 HydrophobicContact CD2-CB 3.85Å; Y526-K532 WeakPolarHBondContact CD2-O 3.23Å; Y526-K532 HydrophobicContact CE2-CB 4.29Å; Y526-K532 WeakPolarHBondContact CE2-O 3.35Å; M529-K532 HydrophobicContact CB-CB 4.17Å; M529-K532 HydrophobicContact CB-CG 4.49Å; M529-K532 HydrophobicContact SD-CG 4.49Å; E530-K532 VanDerWaalsContact C-N 3.3Å; E530-K532 PolarHBondContact O-N 3.37Å; K532-E535 VanDerWaalsContact CD-OE2 3.27Å; K532-E535 WeakPolarHBondContact CD-OE2 3.26Å; K532-E535 IonicContact NZ-OE1 3.45Å; K532-E535 PolarHBondContact NZ-OE1 3.12Å; K532-E535 IonicContact NZ-OE2 3.78Å; K532-E535 PolarHBondContact NZ-OE2 3.26Å; K532-A536 WeakPolarHBondContact O-CB 3.47Å; K532-A536 PolarHBondContact O-N 3.15Å
533	T	96.6	Very high	96.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-73.8	-45.1	174.6	-58.7	0	0	0	0	110.4	W79 T81 Y526 M529 E530 D531 E535 A536 I537	W79-T533 HydrophobicContact CB-CG2 3.97Å; W79-T533 HydrophobicContact CD2-CG2 3.8Å; W79-T533 HydrophobicContact CE3-CG2 3.62Å; W79-T533 HydrophobicContact CG-CG2 3.96Å; W79-T533 HydrophobicContact CZ3-CG2 4.4Å; T81-T533 HydrophobicContact CG2-CG2 4.38Å; T81-T533 WeakPolarHBondContact CG2-OG1 3.41Å; Y526-T533 PolarHBondContact N-OG1 2.95Å; M529-T533 WeakPolarHBondContact O-CB 3.45Å; M529-T533 PolarHBondContact O-N 3.42Å; M529-T533 VanDerWaalsContact O-N 3.11Å; M529-T533 PolarHBondContact O-OG1 2.88Å; E530-T533 WeakPolarHBondContact O-CA 3.44Å; E530-T533 WeakPolarHBondContact O-CB 3.29Å; E530-T533 PolarHBondContact O-N 3.28Å; D531-T533 VanDerWaalsContact C-N 3.28Å; D531-T533 PolarHBondContact O-N 3Å; T533-E535 VanDerWaalsContact C-N 3.33Å; T533-E535 PolarHBondContact O-N 3.07Å; T533-A536 PolarHBondContact O-N 3.19Å; T533-A536 VanDerWaalsContact O-N 3.12Å; T533-I537 HydrophobicContact CG2-CD1 4.17Å; T533-I537 PolarHBondContact O-N 2.65Å
534	C	96.4	Very high	96.3	Very high	62 Å²	62	49.9 Å²	49.9	42%	0.419	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-32.4	175.1	-66	0	0	0	0	113.1	W79 E530 D531 A536	W79-C534 WeakPolarHBondContact CZ2-SG 3.44Å; E530-C534 PolarHBondContact O-N 3.42Å; E530-C534 PolarHBondContact O-SG 3.18Å; D531-C534 PolarHBondContact O-N 2.86Å; C534-A536 VanDerWaalsContact C-N 3.3Å
535	E	94.4	Very high	96.2	Very high	116 Å²	116	50.7 Å²	50.7	54%	0.542	27%	0.265	S	S	.	.	H	α-helix	trans	-65.8	-33	171.4	-78.3	174.7	-155.4	0	0	112.3	D531 K532 T533	D531-E535 WeakPolarHBondContact O-CB 3.47Å; D531-E535 WeakPolarHBondContact O-CG 3.28Å; D531-E535 PolarHBondContact O-N 3.44Å; K532-E535 VanDerWaalsContact CD-OE2 3.27Å; K532-E535 WeakPolarHBondContact CD-OE2 3.26Å; K532-E535 IonicContact NZ-OE1 3.45Å; K532-E535 PolarHBondContact NZ-OE1 3.12Å; K532-E535 IonicContact NZ-OE2 3.78Å; K532-E535 PolarHBondContact NZ-OE2 3.26Å; T533-E535 VanDerWaalsContact C-N 3.33Å; T533-E535 PolarHBondContact O-N 3.07Å
536	A	96.1	Very high	95.9	Very high	10 Å²	10	51.7 Å²	51.7	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-91.1	-31.1	-174.8	0	0	0	0	0	113.4	F523 Y526 K532 T533 C534 L543 H544	F523-A536 HydrophobicContact CZ-CB 4.18Å; Y526-A536 HydrophobicContact CE2-CB 3.97Å; K532-A536 WeakPolarHBondContact O-CB 3.47Å; K532-A536 PolarHBondContact O-N 3.15Å; T533-A536 PolarHBondContact O-N 3.19Å; T533-A536 VanDerWaalsContact O-N 3.12Å; C534-A536 VanDerWaalsContact C-N 3.3Å; A536-L543 HydrophobicContact CB-CD1 4.21Å; A536-L543 CarbonylContact O-C 3.59Å; A536-L543 WeakPolarHBondContact O-CA 3.49Å; A536-H544 PolarHBondContact O-N 2.85Å
537	I	97.6	Very high	95.7	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-116.9	119	-177	-55.9	174.8	0	0	0	109.5	W79 F523 T533 W542	W79-I537 HydrophobicContact CB-CD1 3.69Å; W79-I537 HydrophobicContact CG-CD1 4.32Å; F523-I537 HydrophobicContact CD1-CD1 4.07Å; F523-I537 HydrophobicContact CE1-CD1 3.51Å; F523-I537 HydrophobicContact CE1-CG1 3.67Å; F523-I537 HydrophobicContact CZ-CD1 4.18Å; F523-I537 HydrophobicContact CZ-CG1 4.33Å; T533-I537 HydrophobicContact CG2-CD1 4.17Å; T533-I537 PolarHBondContact O-N 2.65Å; I537-W542 WeakPolarHBondContact CA-O 3.28Å
538	D	96.2	Very high	95.4	Very high	32 Å²	32	52.5 Å²	52.5	17%	0.171	28%	0.28	C	S	.	.			trans	-72.7	173.3	176.1	75.5	12.8	0	0	0	112.8	K503 E540 G541 W542 H544	K503-D538 IonicContact NZ-OD2 3.22Å; K503-D538 PolarHBondContact NZ-OD2 3.26Å; D538-E540 PolarHBondContact O-N 2.95Å; D538-E540 VanDerWaalsContact O-N 3.15Å; D538-E540 WeakPolarHBondContact OD1-CA 3.34Å; D538-E540 WeakPolarHBondContact OD1-CB 3.34Å; D538-E540 PolarHBondContact OD1-N 3.4Å; D538-G541 PolarHBondContact O-N 3.27Å; D538-G541 PolarHBondContact OD1-N 2.9Å; D538-W542 PolarHBondContact N-O 3.17Å; D538-W542 PolarHBondContact OD1-N 2.78Å; D538-W542 WeakPolarHBondContact OD2-CB 3.44Å; D538-H544 IonicContact OD2-NE2 2.73Å
539	S	93.4	Very high	95.3	Very high	123 Å²	123	47.7 Å²	47.7	86%	0.86	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.3	-179.8	55.4	0	0	0	0	114.2
540	E	93.5	Very high	95.3	Very high	123 Å²	123	50.5 Å²	50.5	58%	0.575	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-4.3	176.7	-66.6	-177.3	162.7	0	0	112.2	K503 W518 D538 W542	K503-E540 IonicContact NZ-OE2 3.84Å; W518-E540 PolarHBondContact NE1-O 3.46Å; D538-E540 PolarHBondContact O-N 2.95Å; D538-E540 VanDerWaalsContact O-N 3.15Å; D538-E540 WeakPolarHBondContact OD1-CA 3.34Å; D538-E540 WeakPolarHBondContact OD1-CB 3.34Å; D538-E540 PolarHBondContact OD1-N 3.4Å; E540-W542 PolarHBondContact OE2-NE1 2.96Å
541	G	95.2	Very high	95.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.			trans	86.3	15.3	178.5	0	0	0	0	0	115	R90 D538	R90-G541 PolarHBondContact NE-O 3.12Å; D538-G541 PolarHBondContact O-N 3.27Å; D538-G541 PolarHBondContact OD1-N 2.9Å
542	W	97.9	Very high	95.4	Very high	29 Å²	29	43.3 Å²	43.3	11%	0.11	23%	0.228	C	C	.	.			trans	-77.4	135.5	171.9	-63.9	85.1	0	0	0	110.7	R501 K503 C516 L517 W518 I537 D538 E540	R501-W542 HydrophobicContact CB-CH2 3.81Å; R501-W542 HydrophobicContact CB-CZ3 4.15Å; K503-W542 HydrophobicContact CB-CH2 4.15Å; K503-W542 HydrophobicContact CB-CZ3 4.1Å; K503-W542 HydrophobicContact CD-CD2 3.76Å; K503-W542 HydrophobicContact CD-CE3 3.97Å; K503-W542 HydrophobicContact CD-CG 4.28Å; K503-W542 HydrophobicContact CD-CH2 4.22Å; K503-W542 HydrophobicContact CD-CZ2 4Å; K503-W542 HydrophobicContact CD-CZ3 4.21Å; K503-W542 VanDerWaalsContact CE-CD2 3.48Å; K503-W542 VanDerWaalsContact CE-CG 3.47Å; K503-W542 HydrophobicContact CG-CD2 4.11Å; K503-W542 HydrophobicContact CG-CE3 3.76Å; K503-W542 HydrophobicContact CG-CH2 4.11Å; K503-W542 HydrophobicContact CG-CZ2 4.41Å; K503-W542 HydrophobicContact CG-CZ3 3.78Å; C516-W542 HydrophobicContact CB-CB 4.36Å; C516-W542 HydrophobicContact CB-CE3 4.08Å; L517-W542 WeakPolarHBondContact O-CA 3.48Å; W518-W542 HydrophobicContact CB-CD2 3.66Å; W518-W542 HydrophobicContact CB-CE3 3.37Å; W518-W542 HydrophobicContact CB-CG 4.35Å; W518-W542 HydrophobicContact CB-CH2 3.94Å; W518-W542 HydrophobicContact CB-CZ2 4.2Å; W518-W542 HydrophobicContact CB-CZ3 3.51Å; W518-W542 HydrophobicContact CG-CD2 4.23Å; W518-W542 HydrophobicContact CG-CE3 4.39Å; I537-W542 WeakPolarHBondContact CA-O 3.28Å; D538-W542 PolarHBondContact N-O 3.17Å; D538-W542 PolarHBondContact OD1-N 2.78Å; D538-W542 WeakPolarHBondContact OD2-CB 3.44Å; E540-W542 PolarHBondContact OE2-NE1 2.96Å
543	L	98.5	Very high	95.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.8	169	173.7	67.1	0	0	0	109.5	L473 E475 C516 L517 I522 F523 A536 T545	L473-L543 HydrophobicContact CD1-CD2 4.4Å; E475-L543 HydrophobicContact CB-CD1 3.96Å; E475-L543 HydrophobicContact CB-CD2 3.74Å; C516-L543 CarbonylContact C-O 3.54Å; C516-L543 WeakPolarHBondContact CA-O 3.39Å; L517-L543 HydrophobicContact CB-CB 4.37Å; L517-L543 HydrophobicContact CD1-CD2 4.43Å; L517-L543 PolarHBondContact N-O 3.19Å; L517-L543 PolarHBondContact O-N 2.9Å; I522-L543 HydrophobicContact CD1-CB 3.75Å; I522-L543 HydrophobicContact CD1-CD2 3.84Å; I522-L543 HydrophobicContact CD1-CG 4.47Å; I522-L543 HydrophobicContact CG1-CB 4.38Å; I522-L543 HydrophobicContact CG2-CB 4.06Å; F523-L543 HydrophobicContact CE1-CD1 3.84Å; A536-L543 HydrophobicContact CB-CD1 4.21Å; A536-L543 CarbonylContact O-C 3.59Å; A536-L543 WeakPolarHBondContact O-CA 3.49Å; L543-T545 PolarHBondContact O-N 2.88Å
544	H	97.9	Very high	95.5	Very high	57 Å²	57	48.4 Å²	48.4	26%	0.264	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110	165.8	-74.3	-96.8	0	0	0	109.1	E514 A536 D538 G546	E514-H544 WeakPolarHBondContact OE1-CB 3.32Å; E514-H544 IonicContact OE1-CG 2.67Å; E514-H544 IonicContact OE1-ND1 2.78Å; E514-H544 IonicContact OE2-CE1 2.61Å; E514-H544 IonicContact OE2-CG 2.97Å; E514-H544 IonicContact OE2-ND1 2.72Å; E514-H544 PolarHBondContact OE2-ND1 3.37Å; A536-H544 PolarHBondContact O-N 2.85Å; D538-H544 IonicContact OD2-NE2 2.73Å; H544-G546 VanDerWaalsContact C-N 3.3Å; H544-G546 PolarHBondContact O-N 2.61Å
545	T	95.7	Very high	95.5	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-21.6	-175	68.7	0	0	0	0	112.4	Y471 L473 I515 L517 L543 D547	Y471-T545 PolarHBondContact OH-OG1 3.1Å; L473-T545 HydrophobicContact CD1-CG2 3.51Å; I515-T545 HydrophobicContact CG2-CG2 4.46Å; I515-T545 WeakPolarHBondContact O-CB 3.34Å; I515-T545 WeakPolarHBondContact O-CG2 3.08Å; I515-T545 PolarHBondContact O-N 3.16Å; I515-T545 PolarHBondContact O-OG1 3.13Å; L517-T545 HydrophobicContact CD1-CG2 3.61Å; L517-T545 HydrophobicContact CD2-CG2 4.45Å; L517-T545 HydrophobicContact CG-CG2 3.57Å; L543-T545 PolarHBondContact O-N 2.88Å; T545-D547 PolarHBondContact O-N 3.27Å; T545-D547 PolarHBondContact OG1-N 3.46Å
546	G	92.3	Very high	95.6	Very high	21 Å²	21	41.6 Å²	41.6	22%	0.216	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.9	8.2	-166.8	0	0	0	0	0	113.9	E514 H544 R562 L563	E514-G546 WeakPolarHBondContact OE1-CA 3.46Å; E514-G546 PolarHBondContact OE1-N 2.89Å; E514-G546 VanDerWaalsContact OE1-N 3.13Å; H544-G546 VanDerWaalsContact C-N 3.3Å; H544-G546 PolarHBondContact O-N 2.61Å; G546-R562 CarbonylContact O-C 3.57Å; G546-R562 WeakPolarHBondContact O-CA 3.26Å; G546-L563 WeakPolarHBondContact O-CB 3.41Å; G546-L563 PolarHBondContact O-N 2.77Å
547	D	93.1	Very high	95.7	Very high	14 Å²	14	41.1 Å²	41.1	8%	0.075	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	145	171.3	-59.6	-42.9	0	0	0	109.7	Y471 I515 T545 G561 R562	Y471-D547 WeakPolarHBondContact CE2-OD2 3.35Å; Y471-D547 WeakPolarHBondContact OH-CB 3.21Å; Y471-D547 PolarHBondContact OH-OD2 2.91Å; I515-D547 HydrophobicContact CD1-CB 4.23Å; I515-D547 PolarHBondContact N-O 2.91Å; T545-D547 PolarHBondContact O-N 3.27Å; T545-D547 PolarHBondContact OG1-N 3.46Å; D547-G561 WeakPolarHBondContact CA-O 3.26Å; D547-R562 WeakPolarHBondContact OD1-CG 3.49Å; D547-R562 IonicContact OD1-CZ 3.74Å; D547-R562 IonicContact OD1-NE 3.67Å; D547-R562 PolarHBondContact OD1-NE 3.47Å; D547-R562 IonicContact OD1-NH2 2.65Å
548	M	93	Very high	95.5	Very high	19 Å²	19	42.9 Å²	42.9	9%	0.094	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.1	178.9	-61.9	-60.4	-73	0	0	110.2	I512 G513 E514 T560 G561 L563	I512-M548 HydrophobicContact CG2-CB 4.34Å; I512-M548 HydrophobicContact CG2-CE 4.3Å; G513-M548 VanDerWaalsContact C-CE 3.48Å; G513-M548 WeakPolarHBondContact O-CA 3.2Å; E514-M548 HydrophobicContact CB-SD 3.95Å; M548-T560 WeakPolarHBondContact CB-OG1 3.34Å; M548-T560 PolarHBondContact O-N 2.85Å; M548-T560 PolarHBondContact O-OG1 3.03Å; M548-G561 PolarHBondContact N-O 3.09Å; M548-G561 PolarHBondContact O-N 2.89Å; M548-L563 HydrophobicContact CG-CB 4.45Å; M548-L563 HydrophobicContact SD-CB 4.17Å; M548-L563 HydrophobicContact SD-CD1 3.92Å
549	G	94.4	Very high	95.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	178.7	174.9	0	0	0	0	0	113.9	I512 G513 Y558	I512-G549 WeakPolarHBondContact CA-O 3.48Å; G513-G549 PolarHBondContact N-O 2.83Å; G513-G549 PolarHBondContact O-N 3.16Å; G549-Y558 CarbonylContact C-O 3.52Å; G549-Y558 WeakPolarHBondContact CA-O 3.2Å
550	R	95.8	Very high	94.9	Very high	102 Å²	102	38.8 Å²	38.8	39%	0.385	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.4	175.5	66.4	-176.8	-175.5	96.8	3.9	110.9	I512 Y558	I512-R550 HydrophobicContact CG1-CB 4.19Å; R550-Y558 PolarHBondContact N-O 2.65Å; R550-Y558 PolarHBondContact O-N 3.4Å
551	L	97.5	Very high	94.5	Very high	61 Å²	61	33.3 Å²	33.3	32%	0.319	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.6	171.7	-68.9	166.4	0	0	0	108.7	F481 V502 L504 F556 L557	F481-L551 HydrophobicContact CE1-CD2 3.95Å; F481-L551 HydrophobicContact CZ-CD2 4.21Å; V502-L551 HydrophobicContact CG1-CD1 3.99Å; L504-L551 HydrophobicContact CD1-CB 4.39Å; L504-L551 HydrophobicContact CD1-CD1 4.3Å; L504-L551 HydrophobicContact CD1-CG 4.13Å; L504-L551 HydrophobicContact CG-CD1 4.26Å; L504-L551 HydrophobicContact CG-CG 4.48Å; L551-F556 WeakPolarHBondContact CA-O 3.24Å; L551-L557 HydrophobicContact CD2-CB 4.05Å; L551-L557 HydrophobicContact CD2-CD1 4.12Å
552	D	95.8	Very high	93.9	Very high	31 Å²	31	36.8 Å²	36.8	17%	0.166	20%	0.203	C	C	.	.			trans	-83.1	177.3	167.9	72.7	17.3	0	0	0	112.2	R489 D554 G555 F556 Y558	R489-D552 IonicContact CZ-OD2 2.77Å; R489-D552 VanDerWaalsContact NH1-CG 3.3Å; R489-D552 IonicContact NH1-OD1 3.07Å; R489-D552 IonicContact NH1-OD2 2.69Å; R489-D552 PolarHBondContact NH1-OD2 2.8Å; D552-D554 PolarHBondContact O-N 2.81Å; D552-D554 VanDerWaalsContact O-N 3.12Å; D552-D554 WeakPolarHBondContact OD1-CA 3.41Å; D552-D554 PolarHBondContact OD1-N 3.27Å; D552-G555 PolarHBondContact O-N 3.35Å; D552-G555 PolarHBondContact OD1-N 3.11Å; D552-F556 PolarHBondContact N-O 2.83Å; D552-F556 VanDerWaalsContact N-O 3.08Å; D552-F556 PolarHBondContact OD1-N 3.37Å; D552-F556 WeakPolarHBondContact OD2-CB 3.44Å; D552-Y558 HydrophobicContact CB-CE2 4.15Å
553	A	95.3	Very high	93.2	Very high	108 Å²	108	39 Å²	39	89%	0.893	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.1	-177.5	0	0	0	0	0	114.2
554	D	95.1	Very high	92.3	Very high	84 Å²	84	47.5 Å²	47.5	45%	0.449	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	1.3	179.7	-59.2	-75.7	0	0	0	112.4	R489 R495 D552 F556	R489-D554 IonicContact CZ-OD2 3.16Å; R489-D554 IonicContact NH1-OD2 3.61Å; R489-D554 PolarHBondContact NH1-OD2 3.08Å; R489-D554 IonicContact NH2-OD2 3.52Å; R489-D554 PolarHBondContact NH2-OD2 3.19Å; R495-D554 PolarHBondContact NE-O 2.94Å; R495-D554 PolarHBondContact NH2-O 3.05Å; D552-D554 PolarHBondContact O-N 2.81Å; D552-D554 VanDerWaalsContact O-N 3.12Å; D552-D554 WeakPolarHBondContact OD1-CA 3.41Å; D552-D554 PolarHBondContact OD1-N 3.27Å; D554-F556 HydrophobicContact CB-CD2 3.93Å; D554-F556 HydrophobicContact CB-CE2 4.16Å
555	G	96.2	Very high	91.4	Very high	24 Å²	24	46.9 Å²	46.9	25%	0.247	25%	0.251	C	S	.	.			trans	81.4	22.5	177.9	0	0	0	0	0	114.2	D552	D552-G555 PolarHBondContact O-N 3.35Å; D552-G555 PolarHBondContact OD1-N 3.11Å
556	F	97.5	Very high	90.4	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.053	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-80	132.7	170.5	-76.3	-92.4	0	0	0	110.6	N487 R489 S492 G494 R495 L551 D552 D554 Y558	N487-F556 HydrophobicContact CB-CE1 4.32Å; N487-F556 HydrophobicContact CB-CZ 4.05Å; N487-F556 VanDerWaalsContact O-CE1 3.32Å; N487-F556 WeakPolarHBondContact O-CE1 3.49Å; R489-F556 HydrophobicContact CB-CD1 3.97Å; R489-F556 HydrophobicContact CB-CE1 4.03Å; R489-F556 HydrophobicContact CB-CG 4.36Å; R489-F556 VanDerWaalsContact CD-CD2 3.49Å; R489-F556 HydrophobicContact CG-CD1 3.99Å; R489-F556 HydrophobicContact CG-CD2 4.09Å; R489-F556 HydrophobicContact CG-CE1 3.83Å; R489-F556 HydrophobicContact CG-CE2 3.95Å; R489-F556 HydrophobicContact CG-CG 4.11Å; R489-F556 HydrophobicContact CG-CZ 3.8Å; S492-F556 WeakPolarHBondContact OG-CB 3.23Å; S492-F556 WeakPolarHBondContact OG-CD1 3.46Å; G494-F556 WeakPolarHBondContact O-CA 3.32Å; R495-F556 HydrophobicContact CG-CD1 3.91Å; R495-F556 HydrophobicContact CG-CD2 4.06Å; R495-F556 HydrophobicContact CG-CE1 3.93Å; R495-F556 HydrophobicContact CG-CE2 4.06Å; R495-F556 HydrophobicContact CG-CG 4Å; R495-F556 HydrophobicContact CG-CZ 4Å; L551-F556 WeakPolarHBondContact CA-O 3.24Å; D552-F556 PolarHBondContact N-O 2.83Å; D552-F556 VanDerWaalsContact N-O 3.08Å; D552-F556 PolarHBondContact OD1-N 3.37Å; D552-F556 WeakPolarHBondContact OD2-CB 3.44Å; D554-F556 HydrophobicContact CB-CD2 3.93Å; D554-F556 HydrophobicContact CB-CE2 4.16Å; F556-Y558 HydrophobicContact CB-CE2 4.07Å
557	L	97.5	Very high	89.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.6	179.2	179.1	67.2	0	0	0	111.2	Y471 F481 S492 S493 G494 I515 L551 I559	Y471-L557 HydrophobicContact CD1-CD2 3.5Å; Y471-L557 VanDerWaalsContact CD1-CD2 3.5Å; Y471-L557 HydrophobicContact CE1-CD2 3.9Å; Y471-L557 HydrophobicContact CG-CD2 4.12Å; F481-L557 HydrophobicContact CB-CD2 4.49Å; F481-L557 HydrophobicContact CD1-CB 3.58Å; F481-L557 HydrophobicContact CD1-CD2 4Å; F481-L557 HydrophobicContact CD1-CG 4.43Å; F481-L557 HydrophobicContact CD2-CD2 3.73Å; F481-L557 HydrophobicContact CE1-CB 3.56Å; F481-L557 HydrophobicContact CE1-CD2 4.11Å; F481-L557 HydrophobicContact CE1-CG 4.33Å; F481-L557 HydrophobicContact CE2-CD2 3.8Å; F481-L557 HydrophobicContact CG-CB 4.23Å; F481-L557 HydrophobicContact CG-CD2 3.81Å; F481-L557 HydrophobicContact CZ-CB 4.14Å; F481-L557 HydrophobicContact CZ-CD2 3.98Å; F481-L557 HydrophobicContact CZ-CG 4.45Å; S492-L557 CarbonylContact C-O 3.54Å; S492-L557 WeakPolarHBondContact CA-O 3.25Å; S492-L557 PolarHBondContact OG-O 3.41Å; S493-L557 PolarHBondContact N-O 3.2Å; G494-L557 PolarHBondContact O-N 2.88Å; I515-L557 HydrophobicContact CD1-CD1 3.89Å; I515-L557 HydrophobicContact CD1-CD2 4.14Å; I515-L557 HydrophobicContact CD1-CG 4.49Å; I515-L557 HydrophobicContact CG1-CD1 4.16Å; L551-L557 HydrophobicContact CD2-CB 4.05Å; L551-L557 HydrophobicContact CD2-CD1 4.12Å; L557-I559 HydrophobicContact CD2-CG1 4.33Å; L557-I559 HydrophobicContact CG-CG1 4.45Å
558	Y	93.8	Very high	89	Confident	41 Å²	41	49.7 Å²	49.7	16%	0.161	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114	169.4	-64.3	-91.2	0	0	0	108.9	G549 R550 D552 F556	G549-Y558 CarbonylContact C-O 3.52Å; G549-Y558 WeakPolarHBondContact CA-O 3.2Å; R550-Y558 PolarHBondContact N-O 2.65Å; R550-Y558 PolarHBondContact O-N 3.4Å; D552-Y558 HydrophobicContact CB-CE2 4.15Å; F556-Y558 HydrophobicContact CB-CE2 4.07Å
559	I	90.6	Very high	88.1	Confident	60 Å²	60	49.4 Å²	49.4	31%	0.308	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.6	178.5	-56.9	167.5	0	0	0	108.4	Y471 S493 L557	Y471-I559 HydrophobicContact CD2-CD1 3.23Å; Y471-I559 HydrophobicContact CD2-CG1 4.22Å; Y471-I559 HydrophobicContact CE2-CD1 3.69Å; Y471-I559 HydrophobicContact CE2-CG1 4.4Å; Y471-I559 HydrophobicContact CG-CD1 3.8Å; S493-I559 VanDerWaalsContact OG-CD1 3.24Å; S493-I559 WeakPolarHBondContact OG-CD1 3.2Å; L557-I559 HydrophobicContact CD2-CG1 4.33Å; L557-I559 HydrophobicContact CG-CG1 4.45Å
560	T	86.4	Confident	86.9	Confident	10 Å²	10	52.2 Å²	52.2	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-10.2	-177.6	57.4	0	0	0	0	113.1	I512 M548 P579	I512-T560 HydrophobicContact CD1-CG2 4.13Å; I512-T560 HydrophobicContact CG1-CG2 4.31Å; I512-T560 HydrophobicContact CG2-CG2 4.32Å; I512-T560 VanDerWaalsContact CG2-OG1 3.28Å; I512-T560 WeakPolarHBondContact CG2-OG1 3.36Å; M548-T560 WeakPolarHBondContact CB-OG1 3.34Å; M548-T560 PolarHBondContact O-N 2.85Å; M548-T560 PolarHBondContact O-OG1 3.03Å; T560-P579 VanDerWaalsContact O-CD 3.3Å; T560-P579 WeakPolarHBondContact O-CD 3.42Å
561	G	84.1	Confident	85.5	Confident	7 Å²	7	50.6 Å²	50.6	7%	0.072	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-152.8	174.7	0	0	0	0	0	112.9	D547 M548	D547-G561 WeakPolarHBondContact CA-O 3.26Å; M548-G561 PolarHBondContact N-O 3.09Å; M548-G561 PolarHBondContact O-N 2.89Å
562	R	84	Confident	84	Confident	73 Å²	73	50 Å²	50	28%	0.275	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.2	177.8	-87.5	179.5	166.1	-160.7	-7.8	111.2	G546 D547 K564 E565 L566	G546-R562 CarbonylContact O-C 3.57Å; G546-R562 WeakPolarHBondContact O-CA 3.26Å; D547-R562 WeakPolarHBondContact OD1-CG 3.49Å; D547-R562 IonicContact OD1-CZ 3.74Å; D547-R562 IonicContact OD1-NE 3.67Å; D547-R562 PolarHBondContact OD1-NE 3.47Å; D547-R562 IonicContact OD1-NH2 2.65Å; R562-K564 VanDerWaalsContact C-N 3.31Å; R562-K564 PolarHBondContact O-N 3.28Å; R562-E565 HydrophobicContact CB-CB 3.9Å; R562-E565 HydrophobicContact CB-CG 3.75Å; R562-E565 WeakPolarHBondContact CD-OE1 3.46Å; R562-E565 CarbonylContact O-C 3.58Å; R562-E565 WeakPolarHBondContact O-CA 3.34Å; R562-E565 PolarHBondContact O-N 3.29Å; R562-L566 PolarHBondContact O-N 2.88Å
563	L	83.2	Confident	82.8	Confident	77 Å²	77	52.9 Å²	52.9	40%	0.403	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-57.8	-44	178.8	-177.6	62.9	0	0	0	111.4	G546 M548 E565 L566	G546-L563 WeakPolarHBondContact O-CB 3.41Å; G546-L563 PolarHBondContact O-N 2.77Å; M548-L563 HydrophobicContact CG-CB 4.45Å; M548-L563 HydrophobicContact SD-CB 4.17Å; M548-L563 HydrophobicContact SD-CD1 3.92Å; L563-E565 PolarHBondContact O-N 3.1Å; L563-L566 VanDerWaalsContact O-CB 3.31Å; L563-L566 WeakPolarHBondContact O-CB 3.38Å; L563-L566 PolarHBondContact O-N 3.37Å
564	K	78.5	Confident	81.7	Confident	181 Å²	181	51.8 Å²	51.8	79%	0.787	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-73.3	-9.7	176.6	-66.1	-173.4	178.9	-178.7	0	114.3	R562	R562-K564 VanDerWaalsContact C-N 3.31Å; R562-K564 PolarHBondContact O-N 3.28Å
565	E	78.7	Confident	80.8	Confident	43 Å²	43	47.8 Å²	47.8	20%	0.201	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-110	2.2	177.9	-56.4	180	-166.5	0	0	111.5	R562 L563 I567 P577 R701	R562-E565 HydrophobicContact CB-CB 3.9Å; R562-E565 HydrophobicContact CB-CG 3.75Å; R562-E565 WeakPolarHBondContact CD-OE1 3.46Å; R562-E565 CarbonylContact O-C 3.58Å; R562-E565 WeakPolarHBondContact O-CA 3.34Å; R562-E565 PolarHBondContact O-N 3.29Å; L563-E565 PolarHBondContact O-N 3.1Å; E565-I567 PolarHBondContact O-N 2.86Å; E565-P577 HydrophobicContact CB-CG 4.47Å; E565-P577 WeakPolarHBondContact O-CD 3.4Å; E565-P577 WeakPolarHBondContact O-CG 3.39Å; E565-R701 WeakPolarHBondContact OE2-CD 3.41Å; E565-R701 IonicContact OE2-CZ 3.52Å; E565-R701 IonicContact OE2-NE 2.62Å; E565-R701 PolarHBondContact OE2-NE 2.9Å; E565-R701 IonicContact OE2-NH2 3.7Å
566	L	76.3	Confident	79.9	Confident	35 Å²	35	47.9 Å²	47.9	18%	0.183	27%	0.272	C	S	.	.			trans	-63.3	120.7	173.5	-168.3	71.6	0	0	0	107.7	R562 L563 I568 N574 P576	R562-L566 PolarHBondContact O-N 2.88Å; L563-L566 VanDerWaalsContact O-CB 3.31Å; L563-L566 WeakPolarHBondContact O-CB 3.38Å; L563-L566 PolarHBondContact O-N 3.37Å; L566-I568 PolarHBondContact O-N 3.45Å; L566-N574 HydrophobicContact CD1-CB 4.38Å; L566-N574 HydrophobicContact CD2-CB 3.91Å; L566-N574 HydrophobicContact CG-CB 4.24Å; L566-P576 HydrophobicContact CD1-CB 4.39Å
567	I	81	Confident	79.4	Confident	11 Å²	11	47.3 Å²	47.3	6%	0.056	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.4	178.2	-75.7	165.3	0	0	0	107.3	E565 T569 V575 P577 L596 L604	E565-I567 PolarHBondContact O-N 2.86Å; I567-T569 HydrophobicContact CG2-CG2 4.19Å; I567-V575 HydrophobicContact CB-CB 4.11Å; I567-V575 HydrophobicContact CG2-CB 4.26Å; I567-V575 HydrophobicContact CG2-CG2 4.49Å; I567-V575 PolarHBondContact N-O 3.03Å; I567-V575 PolarHBondContact O-N 3.42Å; I567-P577 HydrophobicContact CD1-CB 4.28Å; I567-L596 HydrophobicContact CD1-CB 4.15Å; I567-L596 HydrophobicContact CD1-CD2 3.81Å; I567-L596 HydrophobicContact CD1-CG 3.8Å; I567-L604 HydrophobicContact CG2-CD2 3.86Å
568	I	75.2	Confident	78.8	Confident	65 Å²	65	48.5 Å²	48.5	33%	0.333	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.3	168.5	-52.6	-177.5	0	0	0	106.6	L566 E573 D599 Q600	L566-I568 PolarHBondContact O-N 3.45Å; I568-E573 WeakPolarHBondContact CA-O 3.46Å; I568-D599 PolarHBondContact N-OD1 3.34Å; I568-D599 VanDerWaalsContact N-OD1 3.11Å; I568-Q600 PolarHBondContact O-N 3.12Å
569	T	73.2	Confident	78.2	Confident	12 Å²	12	49.3 Å²	49.3	7%	0.074	29%	0.287	C	S	.	.			trans	-64.5	162.7	178.3	66.8	0	0	0	0	110.7	I567 G571 G572 E573 V575 L604	I567-T569 HydrophobicContact CG2-CG2 4.19Å; T569-G571 PolarHBondContact O-N 2.89Å; T569-G571 PolarHBondContact OG1-N 3.06Å; T569-G572 PolarHBondContact O-N 3.3Å; T569-E573 PolarHBondContact N-O 3.17Å; T569-E573 WeakPolarHBondContact OG1-CB 3.43Å; T569-E573 PolarHBondContact OG1-N 3.07Å; T569-V575 HydrophobicContact CG2-CG2 3.82Å; T569-L604 HydrophobicContact CG2-CD2 3.94Å
570	A	69.7	Low	78	Confident	59 Å²	59	47.4 Å²	47.4	49%	0.488	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.6	174.4	0	0	0	0	0	113.4	G572 R601	A570-G572 VanDerWaalsContact C-N 3.35Å; A570-R601 WeakPolarHBondContact CB-O 3.44Å; A570-R601 PolarHBondContact N-O 2.83Å
571	G	66.1	Low	78.3	Confident	68 Å²	68	47.8 Å²	47.8	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.4	173.2	0	0	0	0	0	114.7	T569	T569-G571 PolarHBondContact O-N 2.89Å; T569-G571 PolarHBondContact OG1-N 3.06Å
572	G	66.5	Low	78.4	Confident	49 Å²	49	50.9 Å²	50.9	51%	0.505	29%	0.291	S	S	.	.	S	Bend	trans	88	1.6	-177	0	0	0	0	0	114.8	T569 A570	T569-G572 PolarHBondContact O-N 3.3Å; A570-G572 VanDerWaalsContact C-N 3.35Å
573	E	70.5	Confident	78.5	Confident	92 Å²	92	49.3 Å²	49.3	43%	0.43	29%	0.293	S	S	.	.			trans	-74.5	131.9	178.1	-58.4	-66.1	165.9	0	0	111.2	I568 T569 P673	I568-E573 WeakPolarHBondContact CA-O 3.46Å; T569-E573 PolarHBondContact N-O 3.17Å; T569-E573 WeakPolarHBondContact OG1-CB 3.43Å; T569-E573 PolarHBondContact OG1-N 3.07Å; E573-P673 HydrophobicContact CB-CB 4.15Å; E573-P673 HydrophobicContact CG-CB 3.86Å; E573-P673 HydrophobicContact CG-CG 3.85Å
574	N	72	Confident	79	Confident	85 Å²	85	45.6 Å²	45.6	46%	0.455	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.6	175.5	-72.2	-32.1	0	0	0	109.9	L566	L566-N574 HydrophobicContact CD1-CB 4.38Å; L566-N574 HydrophobicContact CD2-CB 3.91Å; L566-N574 HydrophobicContact CG-CB 4.24Å
575	V	76	Confident	79.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.5	-176.8	-172.2	0	0	0	0	109.8	I567 T569 P577 I580 L596 L604 Y674	I567-V575 HydrophobicContact CB-CB 4.11Å; I567-V575 HydrophobicContact CG2-CB 4.26Å; I567-V575 HydrophobicContact CG2-CG2 4.49Å; I567-V575 PolarHBondContact N-O 3.03Å; I567-V575 PolarHBondContact O-N 3.42Å; T569-V575 HydrophobicContact CG2-CG2 3.82Å; V575-P577 WeakPolarHBondContact O-CD 3.42Å; V575-I580 HydrophobicContact CG1-CD1 3.46Å; V575-I580 VanDerWaalsContact CG1-CD1 3.46Å; V575-L596 HydrophobicContact CG1-CD2 4.08Å; V575-L604 HydrophobicContact CG1-CD1 3.97Å; V575-L604 HydrophobicContact CG2-CD1 4.47Å; V575-L604 HydrophobicContact CG2-CD2 4.42Å; V575-Y674 HydrophobicContact CB-CD1 4.38Å; V575-Y674 HydrophobicContact CB-CE1 4.38Å; V575-Y674 HydrophobicContact CG1-CD1 3.98Å; V575-Y674 HydrophobicContact CG1-CE1 4.33Å; V575-Y674 HydrophobicContact CG2-CD1 3.73Å; V575-Y674 HydrophobicContact CG2-CE1 3.76Å
576	P	77.3	Confident	80.1	Confident	25 Å²	25	42 Å²	42	16%	0.162	26%	0.26	C	S	.	.			trans	-71	121.2	169	27.2	-30.5	0	0	0	109.3	L566 P579	L566-P576 HydrophobicContact CD1-CB 4.39Å; P576-P579 HydrophobicContact CB-CG 4.49Å
577	P	86.7	Confident	80.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-75.3	-34.7	-171.4	27.8	-35.4	0	0	0	113.9	E565 I567 V575 I580 E581 L596	E565-P577 HydrophobicContact CB-CG 4.47Å; E565-P577 WeakPolarHBondContact O-CD 3.4Å; E565-P577 WeakPolarHBondContact O-CG 3.39Å; I567-P577 HydrophobicContact CD1-CB 4.28Å; V575-P577 WeakPolarHBondContact O-CD 3.42Å; P577-I580 PolarHBondContact O-N 2.91Å; P577-I580 VanDerWaalsContact O-N 3.17Å; P577-E581 VanDerWaalsContact O-CG 3.31Å; P577-E581 WeakPolarHBondContact O-CG 3.24Å; P577-E581 PolarHBondContact O-N 3.45Å; P577-L596 HydrophobicContact CB-CB 3.98Å; P577-L596 HydrophobicContact CB-CD2 3.97Å
578	V	84.6	Confident	81.4	Confident	25 Å²	25	43 Å²	43	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-46.3	-170	177.5	0	0	0	0	113	I580 E581 E582	V578-I580 VanDerWaalsContact C-N 3.26Å; V578-I580 PolarHBondContact O-N 3.24Å; V578-E581 PolarHBondContact O-N 3.13Å; V578-E582 HydrophobicContact CG1-CG 4.15Å; V578-E582 WeakPolarHBondContact O-CB 3.45Å; V578-E582 WeakPolarHBondContact O-CG 3.49Å; V578-E582 PolarHBondContact O-N 3.1Å
579	P	81.8	Confident	82	Confident	58 Å²	58	41.6 Å²	41.6	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-59.1	-36.6	178.3	-26.1	35.5	0	0	0	113.3	T560 P576 A583	T560-P579 VanDerWaalsContact O-CD 3.3Å; T560-P579 WeakPolarHBondContact O-CD 3.42Å; P576-P579 HydrophobicContact CB-CG 4.49Å; P579-A583 VanDerWaalsContact O-CB 3.31Å; P579-A583 WeakPolarHBondContact O-CB 3.28Å; P579-A583 PolarHBondContact O-N 3.27Å
580	I	86.6	Confident	83	Confident	20 Å²	20	41 Å²	41	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-74.2	-44	179.9	-61.3	172.2	0	0	0	110.2	V575 P577 V578 E582 A583 V584 L596 L604 M606 Y674 I676	V575-I580 HydrophobicContact CG1-CD1 3.46Å; V575-I580 VanDerWaalsContact CG1-CD1 3.46Å; P577-I580 PolarHBondContact O-N 2.91Å; P577-I580 VanDerWaalsContact O-N 3.17Å; V578-I580 VanDerWaalsContact C-N 3.26Å; V578-I580 PolarHBondContact O-N 3.24Å; I580-E582 VanDerWaalsContact C-N 3.35Å; I580-E582 PolarHBondContact O-N 3.37Å; I580-A583 PolarHBondContact O-N 2.89Å; I580-V584 WeakPolarHBondContact O-CG2 3.41Å; I580-V584 PolarHBondContact O-N 3.13Å; I580-L596 HydrophobicContact CB-CD2 4.13Å; I580-L596 HydrophobicContact CD1-CD2 3.75Å; I580-L596 HydrophobicContact CG2-CD1 3.99Å; I580-L596 HydrophobicContact CG2-CD2 4.23Å; I580-L604 HydrophobicContact CD1-CD1 4.25Å; I580-M606 HydrophobicContact CG2-CE 4.12Å; I580-Y674 HydrophobicContact CD1-CG 4.47Å; I580-I676 HydrophobicContact CG2-CD1 3.75Å; I580-I676 HydrophobicContact CG2-CG1 4.05Å
581	E	91.6	Very high	84.2	Confident	18 Å²	18	38.2 Å²	38.2	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-42.6	176.4	-69.1	168.1	174.1	0	0	111.9	P577 V578 V584 K585 A594 M595 L596 M606 R701	P577-E581 VanDerWaalsContact O-CG 3.31Å; P577-E581 WeakPolarHBondContact O-CG 3.24Å; P577-E581 PolarHBondContact O-N 3.45Å; V578-E581 PolarHBondContact O-N 3.13Å; E581-V584 PolarHBondContact O-N 2.91Å; E581-K585 WeakPolarHBondContact O-CG 3.45Å; E581-K585 PolarHBondContact O-N 3.12Å; E581-A594 HydrophobicContact CB-CB 4.23Å; E581-A594 VanDerWaalsContact CD-O 3.26Å; E581-A594 HydrophobicContact CG-CB 4.45Å; E581-A594 VanDerWaalsContact CG-O 3.27Å; E581-A594 WeakPolarHBondContact CG-O 3.23Å; E581-M595 WeakPolarHBondContact OE1-CA 3.5Å; E581-L596 HydrophobicContact CG-CB 3.94Å; E581-L596 WeakPolarHBondContact OE1-CB 3.45Å; E581-L596 PolarHBondContact OE1-N 3.26Å; E581-M606 HydrophobicContact CG-CE 4.21Å; E581-R701 IonicContact OE1-CZ 3.44Å; E581-R701 VanDerWaalsContact OE1-CZ 3.22Å; E581-R701 IonicContact OE1-NH1 3.29Å; E581-R701 PolarHBondContact OE1-NH1 3.42Å; E581-R701 IonicContact OE1-NH2 3.98Å; E581-R701 PolarHBondContact OE1-NH2 3.14Å; E581-R701 IonicContact OE2-CZ 3.49Å; E581-R701 IonicContact OE2-NH2 2.62Å; E581-R701 PolarHBondContact OE2-NH2 3.42Å
582	E	85.9	Confident	85.5	Confident	71 Å²	71	36.2 Å²	36.2	33%	0.332	21%	0.207	S	C	.	.	H	α-helix	trans	-67.3	-40.7	176	-73.3	-172.6	169.9	0	0	112.4	V578 I580 V584 K585 M586	V578-E582 HydrophobicContact CG1-CG 4.15Å; V578-E582 WeakPolarHBondContact O-CB 3.45Å; V578-E582 WeakPolarHBondContact O-CG 3.49Å; V578-E582 PolarHBondContact O-N 3.1Å; I580-E582 VanDerWaalsContact C-N 3.35Å; I580-E582 PolarHBondContact O-N 3.37Å; E582-V584 VanDerWaalsContact C-N 3.3Å; E582-V584 PolarHBondContact O-N 3.48Å; E582-K585 PolarHBondContact O-N 3.4Å; E582-M586 WeakPolarHBondContact O-CB 3.32Å; E582-M586 PolarHBondContact O-N 2.89Å
583	A	87.1	Confident	86.7	Confident	40 Å²	40	35.1 Å²	35.1	33%	0.331	19%	0.192	S	C	.	.	H	α-helix	trans	-59.9	-41.3	175.1	0	0	0	0	0	111.6	P579 I580 M586 E587 V665	P579-A583 VanDerWaalsContact O-CB 3.31Å; P579-A583 WeakPolarHBondContact O-CB 3.28Å; P579-A583 PolarHBondContact O-N 3.27Å; I580-A583 PolarHBondContact O-N 2.89Å; A583-M586 PolarHBondContact O-N 2.77Å; A583-E587 WeakPolarHBondContact O-CB 3.3Å; A583-E587 PolarHBondContact O-N 2.89Å; A583-V665 HydrophobicContact CB-CG1 3.9Å; A583-V665 HydrophobicContact CB-CG2 4.46Å
584	V	94	Very high	87.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-46.7	175.1	173	0	0	0	0	111.6	I580 E581 E582 M586 E587 L588 A594 M606 L608 V665 I676	I580-V584 WeakPolarHBondContact O-CG2 3.41Å; I580-V584 PolarHBondContact O-N 3.13Å; E581-V584 PolarHBondContact O-N 2.91Å; E582-V584 VanDerWaalsContact C-N 3.3Å; E582-V584 PolarHBondContact O-N 3.48Å; V584-M586 VanDerWaalsContact C-N 3.27Å; V584-M586 PolarHBondContact O-N 2.83Å; V584-E587 PolarHBondContact O-N 3.14Å; V584-L588 HydrophobicContact CG1-CD1 4.15Å; V584-L588 WeakPolarHBondContact O-CB 3.47Å; V584-L588 PolarHBondContact O-N 3.18Å; V584-A594 HydrophobicContact CG1-CB 4.45Å; V584-M606 HydrophobicContact CB-CE 4.48Å; V584-M606 HydrophobicContact CB-SD 4.07Å; V584-M606 HydrophobicContact CG1-SD 3.85Å; V584-M606 HydrophobicContact CG2-CE 3.93Å; V584-M606 HydrophobicContact CG2-SD 3.84Å; V584-L608 HydrophobicContact CG1-CD2 4.08Å; V584-V665 HydrophobicContact CG2-CB 4.46Å; V584-V665 HydrophobicContact CG2-CG1 4.13Å; V584-V665 HydrophobicContact CG2-CG2 4.17Å; V584-I676 HydrophobicContact CG2-CD1 3.56Å
585	K	91.7	Very high	89	Confident	55 Å²	55	27.2 Å²	27.2	24%	0.239	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-36.5	177.3	-73.7	179.7	58.9	159.5	0	112.5	E581 E582 L588 I591 S592 A594	E581-K585 WeakPolarHBondContact O-CG 3.45Å; E581-K585 PolarHBondContact O-N 3.12Å; E582-K585 PolarHBondContact O-N 3.4Å; K585-L588 CarbonylContact O-C 3.39Å; K585-I591 HydrophobicContact CG-CG2 4.08Å; K585-S592 WeakPolarHBondContact CE-O 3.23Å; K585-S592 PolarHBondContact NZ-O 3.26Å; K585-A594 HydrophobicContact CG-CB 4.1Å
586	M	87.2	Confident	89.9	Confident	93 Å²	93	27.4 Å²	27.4	46%	0.458	16%	0.155	S	C	.	.	H	α-helix	trans	-68.9	-41	177.6	-169	177.9	-153.5	0	0	112	A454 E582 A583 V584	A454-M586 HydrophobicContact CB-CE 4.16Å; A454-M586 HydrophobicContact CB-SD 4.47Å; E582-M586 WeakPolarHBondContact O-CB 3.32Å; E582-M586 PolarHBondContact O-N 2.89Å; A583-M586 PolarHBondContact O-N 2.77Å; V584-M586 VanDerWaalsContact C-N 3.27Å; V584-M586 PolarHBondContact O-N 2.83Å
587	E	91.3	Very high	90.6	Very high	66 Å²	66	26.6 Å²	26.6	31%	0.308	15%	0.149	S	C	.	.	H	α-helix	trans	-74.2	-31.2	179.1	-176.2	56.7	-142.3	0	0	112.7	A583 V584 P589 G661 R664 V665	A583-E587 WeakPolarHBondContact O-CB 3.3Å; A583-E587 PolarHBondContact O-N 2.89Å; V584-E587 PolarHBondContact O-N 3.14Å; E587-P589 WeakPolarHBondContact O-CD 3.43Å; E587-G661 WeakPolarHBondContact CG-O 3.41Å; E587-R664 IonicContact OE1-CZ 3.54Å; E587-R664 IonicContact OE1-NE 2.7Å; E587-R664 PolarHBondContact OE1-NE 2.75Å; E587-R664 IonicContact OE1-NH2 2.69Å; E587-R664 PolarHBondContact OE1-NH2 2.69Å; E587-V665 HydrophobicContact CB-CG2 3.78Å; E587-V665 HydrophobicContact CG-CG2 4.03Å
588	L	93.7	Very high	90.6	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	15%	0.149	C	C	.	.			trans	-122.5	86.2	-175.2	-65	171.3	0	0	0	111.6	V584 K585 I590 I591 F632 I658 I662	V584-L588 HydrophobicContact CG1-CD1 4.15Å; V584-L588 WeakPolarHBondContact O-CB 3.47Å; V584-L588 PolarHBondContact O-N 3.18Å; K585-L588 CarbonylContact O-C 3.39Å; L588-I590 PolarHBondContact O-N 3.28Å; L588-I591 HydrophobicContact CB-CG1 3.66Å; L588-I591 HydrophobicContact CD1-CG1 4.36Å; L588-I591 WeakPolarHBondContact O-CB 3.44Å; L588-I591 WeakPolarHBondContact O-CG1 3.25Å; L588-I591 PolarHBondContact O-N 3.14Å; L588-F632 HydrophobicContact CD2-CZ 4.25Å; L588-I658 HydrophobicContact CD1-CB 4.24Å; L588-I658 HydrophobicContact CD1-CG1 4.26Å; L588-I658 HydrophobicContact CD1-CG2 3.94Å; L588-I658 HydrophobicContact CD2-CG1 4.42Å; L588-I662 HydrophobicContact CD1-CG1 4.24Å
589	P	89.6	Confident	90.5	Very high	34 Å²	34	29.4 Å²	29.4	22%	0.221	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.2	-175.5	-25.5	34.5	0	0	0	115.8	E587 I591 K611	E587-P589 WeakPolarHBondContact O-CD 3.43Å; P589-I591 VanDerWaalsContact C-N 3.26Å; P589-K611 VanDerWaalsContact O-CD 3.28Å; P589-K611 WeakPolarHBondContact O-CD 3.34Å; P589-K611 WeakPolarHBondContact O-CE 3.28Å; P589-K611 PolarHBondContact O-NZ 2.9Å
590	I	94.1	Very high	90.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21	174.2	-165.2	175.8	0	0	0	112.2	L588 L610 K611 A629 F632 I646 V654	L588-I590 PolarHBondContact O-N 3.28Å; I590-L610 HydrophobicContact CD1-CD1 4.45Å; I590-L610 HydrophobicContact CD1-CD2 4.38Å; I590-L610 HydrophobicContact CG1-CD2 4.23Å; I590-L610 HydrophobicContact CG2-CD2 4.42Å; I590-L610 WeakPolarHBondContact O-CA 3.29Å; I590-K611 PolarHBondContact O-N 3.45Å; I590-A629 HydrophobicContact CG1-CB 3.79Å; I590-F632 HydrophobicContact CB-CB 4.27Å; I590-F632 HydrophobicContact CB-CD1 3.81Å; I590-F632 HydrophobicContact CB-CD2 4.27Å; I590-F632 HydrophobicContact CB-CE1 4.2Å; I590-F632 HydrophobicContact CB-CG 3.86Å; I590-F632 HydrophobicContact CD1-CD1 3.78Å; I590-F632 HydrophobicContact CD1-CE1 4.29Å; I590-F632 HydrophobicContact CD1-CG 4.49Å; I590-F632 HydrophobicContact CG1-CD1 4.27Å; I590-F632 HydrophobicContact CG2-CD1 4.04Å; I590-F632 HydrophobicContact CG2-CE1 3.89Å; I590-F632 HydrophobicContact CG2-CE2 4.45Å; I590-F632 HydrophobicContact CG2-CG 4.39Å; I590-F632 HydrophobicContact CG2-CZ 4.12Å; I590-I646 HydrophobicContact CD1-CD1 4.31Å; I590-V654 HydrophobicContact CD1-CG1 4.21Å
591	I	94.9	Very high	90.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.9	-175.6	-57.2	-55.8	0	0	0	110.6	K585 L588 P589 S593 A594 L608 T609 L610 K611 I658	K585-I591 HydrophobicContact CG-CG2 4.08Å; L588-I591 HydrophobicContact CB-CG1 3.66Å; L588-I591 HydrophobicContact CD1-CG1 4.36Å; L588-I591 WeakPolarHBondContact O-CB 3.44Å; L588-I591 WeakPolarHBondContact O-CG1 3.25Å; L588-I591 PolarHBondContact O-N 3.14Å; P589-I591 VanDerWaalsContact C-N 3.26Å; I591-S593 WeakPolarHBondContact CG2-O 3.43Å; I591-A594 HydrophobicContact CG2-CB 4.22Å; I591-L608 HydrophobicContact CD1-CB 4.08Å; I591-L608 HydrophobicContact CD1-CD1 4.11Å; I591-L608 HydrophobicContact CD1-CD2 4.22Å; I591-L608 HydrophobicContact CD1-CG 4.37Å; I591-L608 HydrophobicContact CG1-CD2 4.44Å; I591-L608 HydrophobicContact CG2-CD2 4.08Å; I591-T609 CarbonylContact C-O 3.45Å; I591-T609 WeakPolarHBondContact CA-O 3.48Å; I591-L610 HydrophobicContact CD1-CD2 3.84Å; I591-K611 WeakPolarHBondContact O-CE 3.49Å; I591-I658 HydrophobicContact CD1-CD1 4.37Å
592	S	91.7	Very high	89.4	Confident	25 Å²	25	42 Å²	42	18%	0.175	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-59.1	172	-178.8	0	0	0	0	110.6	K585 T609 D685	K585-S592 WeakPolarHBondContact CE-O 3.23Å; K585-S592 PolarHBondContact NZ-O 3.26Å; S592-T609 PolarHBondContact N-O 2.81Å; S592-D685 VanDerWaalsContact CB-OD2 3.28Å; S592-D685 WeakPolarHBondContact CB-OD2 3.16Å; S592-D685 PolarHBondContact OG-OD1 3.37Å; S592-D685 PolarHBondContact OG-OD2 2.99Å
593	S	93.2	Very high	89.5	Confident	27 Å²	27	40.1 Å²	40.1	19%	0.189	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139	177.6	-56.8	0	0	0	0	110.8	I591 L608 T609 D685 F686	I591-S593 WeakPolarHBondContact CG2-O 3.43Å; S593-L608 WeakPolarHBondContact O-CA 3.31Å; S593-T609 WeakPolarHBondContact CA-OG1 3.44Å; S593-T609 WeakPolarHBondContact CB-OG1 3.33Å; S593-T609 PolarHBondContact N-OG1 3.48Å; S593-T609 PolarHBondContact O-N 2.98Å; S593-D685 PolarHBondContact OG-OD1 2.96Å; S593-F686 VanDerWaalsContact CB-CD2 3.46Å
594	A	95	Very high	89.8	Confident	8 Å²	8	38.3 Å²	38.3	7%	0.066	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124	171.8	0	0	0	0	0	107.7	E581 V584 K585 I591 M606 L607 L608	E581-A594 HydrophobicContact CB-CB 4.23Å; E581-A594 VanDerWaalsContact CD-O 3.26Å; E581-A594 HydrophobicContact CG-CB 4.45Å; E581-A594 VanDerWaalsContact CG-O 3.27Å; E581-A594 WeakPolarHBondContact CG-O 3.23Å; V584-A594 HydrophobicContact CG1-CB 4.45Å; K585-A594 HydrophobicContact CG-CB 4.1Å; I591-A594 HydrophobicContact CG2-CB 4.22Å; A594-M606 HydrophobicContact CB-CG 4.48Å; A594-M606 HydrophobicContact CB-SD 3.82Å; A594-L607 WeakPolarHBondContact CA-O 3.31Å; A594-L608 HydrophobicContact CB-CD2 3.91Å
595	M	95.2	Very high	89.9	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.3	176.8	-179.5	175.2	165.5	0	0	110.1	E581 M606 L607 F686 L699 R701 V704 L705	E581-M595 WeakPolarHBondContact OE1-CA 3.5Å; M595-M606 CarbonylContact O-C 3.53Å; M595-M606 WeakPolarHBondContact O-CA 3.43Å; M595-L607 HydrophobicContact CB-CB 4.47Å; M595-L607 PolarHBondContact N-O 3.32Å; M595-L607 PolarHBondContact O-N 3.48Å; M595-F686 HydrophobicContact CB-CE2 4.4Å; M595-F686 HydrophobicContact CB-CZ 4.45Å; M595-L699 HydrophobicContact CB-CD2 4.41Å; M595-L699 HydrophobicContact CG-CD2 4.22Å; M595-L699 HydrophobicContact SD-CD2 4.12Å; M595-R701 HydrophobicContact CE-CB 3.69Å; M595-R701 HydrophobicContact CE-CG 3.86Å; M595-R701 HydrophobicContact SD-CG 4.37Å; M595-V704 HydrophobicContact CE-CB 4.23Å; M595-V704 HydrophobicContact CE-CG1 4.36Å; M595-V704 HydrophobicContact SD-CB 3.64Å; M595-V704 HydrophobicContact SD-CG1 3.39Å; M595-V704 WeakPolarHBondContact SD-CG1 3.35Å; M595-V704 HydrophobicContact SD-CG2 4.31Å; M595-L705 HydrophobicContact CE-CD2 3.86Å; M595-L705 HydrophobicContact CE-CG 3.78Å
596	L	94.5	Very high	90.2	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.9	174.2	-166.5	71.8	0	0	0	110.4	I567 V575 P577 I580 E581 L604 M606 I676 R701	I567-L596 HydrophobicContact CD1-CB 4.15Å; I567-L596 HydrophobicContact CD1-CD2 3.81Å; I567-L596 HydrophobicContact CD1-CG 3.8Å; V575-L596 HydrophobicContact CG1-CD2 4.08Å; P577-L596 HydrophobicContact CB-CB 3.98Å; P577-L596 HydrophobicContact CB-CD2 3.97Å; I580-L596 HydrophobicContact CB-CD2 4.13Å; I580-L596 HydrophobicContact CD1-CD2 3.75Å; I580-L596 HydrophobicContact CG2-CD1 3.99Å; I580-L596 HydrophobicContact CG2-CD2 4.23Å; E581-L596 HydrophobicContact CG-CB 3.94Å; E581-L596 WeakPolarHBondContact OE1-CB 3.45Å; E581-L596 PolarHBondContact OE1-N 3.26Å; L596-L604 HydrophobicContact CD1-CB 4.1Å; L596-L604 HydrophobicContact CD1-CD1 4.27Å; L596-L604 HydrophobicContact CD2-CD1 4.21Å; L596-M606 HydrophobicContact CB-CE 4.14Å; L596-M606 HydrophobicContact CD1-CE 3.63Å; L596-I676 HydrophobicContact CD1-CG1 3.95Å; L596-R701 PolarHBondContact O-NH1 3.01Å
597	I	93.1	Very high	90.7	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140	178.3	-60.9	153.1	0	0	0	107.5	L604 S605 L607 L705 I712 Y716	I597-L604 CarbonylContact O-C 3.58Å; I597-L604 WeakPolarHBondContact O-CA 3.35Å; I597-S605 WeakPolarHBondContact CB-OG 3.39Å; I597-S605 PolarHBondContact N-O 2.97Å; I597-S605 PolarHBondContact O-N 2.97Å; I597-S605 VanDerWaalsContact O-O 3.08Å; I597-L607 HydrophobicContact CD1-CD1 3.99Å; I597-L607 HydrophobicContact CD1-CD2 4.35Å; I597-L607 HydrophobicContact CD1-CG 3.63Å; I597-L705 HydrophobicContact CG1-CD2 4.04Å; I597-L705 HydrophobicContact CG2-CD2 4.3Å; I597-I712 HydrophobicContact CD1-CD1 3.84Å; I597-I712 HydrophobicContact CD1-CG1 3.66Å; I597-I712 HydrophobicContact CD1-CG2 4.38Å; I597-I712 HydrophobicContact CG2-CG2 3.98Å; I597-Y716 HydrophobicContact CG2-CE2 4.44Å
598	G	85.9	Confident	91	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.138	C	C	.	.			trans	179.3	2.8	173.7	0	0	0	0	0	114.7	Q600 R601	G598-Q600 PolarHBondContact O-N 2.99Å; G598-R601 WeakPolarHBondContact O-CB 3.35Å; G598-R601 PolarHBondContact O-N 2.85Å
599	D	81.7	Confident	91.2	Very high	84 Å²	84	28 Å²	28	45%	0.449	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	124.9	-175.2	-169.8	51.5	0	0	0	110.9	I568 R601	I568-D599 PolarHBondContact N-OD1 3.34Å; I568-D599 VanDerWaalsContact N-OD1 3.11Å; D599-R601 WeakPolarHBondContact O-CG 3.26Å; D599-R601 PolarHBondContact O-N 2.91Å; D599-R601 VanDerWaalsContact O-N 3.13Å
600	Q	77.2	Confident	91.5	Very high	124 Å²	124	26.5 Å²	26.5	58%	0.579	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	24.5	-171.4	-54.5	-60.5	-37.4	0	0	113.8	I568 G598	I568-Q600 PolarHBondContact O-N 3.12Å; G598-Q600 PolarHBondContact O-N 2.99Å
601	R	83	Confident	91.4	Very high	79 Å²	79	27.7 Å²	27.7	30%	0.298	13%	0.133	S	C	.	.	S	Bend	trans	-108.9	154.2	179.7	-55.6	-54.5	-169.1	165.9	11.2	112.4	A570 G598 D599 F603 D713 Y716	A570-R601 WeakPolarHBondContact CB-O 3.44Å; A570-R601 PolarHBondContact N-O 2.83Å; G598-R601 WeakPolarHBondContact O-CB 3.35Å; G598-R601 PolarHBondContact O-N 2.85Å; D599-R601 WeakPolarHBondContact O-CG 3.26Å; D599-R601 PolarHBondContact O-N 2.91Å; D599-R601 VanDerWaalsContact O-N 3.13Å; R601-F603 PolarHBondContact O-N 2.89Å; R601-D713 IonicContact CZ-OD1 3.97Å; R601-D713 IonicContact NH2-OD1 3.95Å; R601-D713 PolarHBondContact NH2-OD1 3.19Å; R601-Y716 HydrophobicContact CB-CD1 3.99Å; R601-Y716 HydrophobicContact CB-CE1 3.42Å; R601-Y716 VanDerWaalsContact CB-CE1 3.42Å; R601-Y716 HydrophobicContact CB-CE2 4.44Å; R601-Y716 HydrophobicContact CG-CD1 4.2Å; R601-Y716 HydrophobicContact CG-CD2 4.26Å; R601-Y716 HydrophobicContact CG-CE1 3.74Å; R601-Y716 HydrophobicContact CG-CE2 3.83Å; R601-Y716 HydrophobicContact CG-CG 4.44Å
602	K	78.4	Confident	91.2	Very high	158 Å²	158	28.1 Å²	28.1	69%	0.687	14%	0.136	S	C	*	.	S	Bend	trans	-64.4	-23.7	-178.7	-66.2	179.7	-178.4	174.9	0	113.4	E718	K602-E718 IonicContact NZ-OE1 3.84Å; K602-E718 PolarHBondContact NZ-OE1 3.06Å
603	F	87.4	Confident	91	Very high	32 Å²	32	29.7 Å²	29.7	14%	0.14	15%	0.145	C	C	.	.	S	Bend	trans	-157.4	166.8	-178.9	54.4	-100.5	0	0	0	110.3	R601 Q677 K678 F715 Y716	R601-F603 PolarHBondContact O-N 2.89Å; F603-Q677 HydrophobicContact CB-CB 4.2Å; F603-Q677 HydrophobicContact CB-CG 3.85Å; F603-Q677 VanDerWaalsContact CB-NE2 3.25Å; F603-Q677 HydrophobicContact CD2-CB 3.73Å; F603-Q677 HydrophobicContact CD2-CG 4.34Å; F603-Q677 HydrophobicContact CE2-CB 4.34Å; F603-Q677 HydrophobicContact CG-CB 4.05Å; F603-Q677 HydrophobicContact CG-CG 4.2Å; F603-K678 HydrophobicContact CE2-CB 4.18Å; F603-K678 HydrophobicContact CE2-CD 3.85Å; F603-K678 HydrophobicContact CE2-CG 3.86Å; F603-K678 HydrophobicContact CZ-CD 3.87Å; F603-K678 HydrophobicContact CZ-CG 4.3Å; F603-F715 WeakPolarHBondContact CZ-O 3.37Å; F603-Y716 HydrophobicContact CD2-CD1 4.47Å; F603-Y716 AromaticContact CD2-CE1 3.76Å; F603-Y716 HydrophobicContact CD2-CE1 3.76Å; F603-Y716 HydrophobicContact CE1-CD1 4.11Å; F603-Y716 HydrophobicContact CE1-CE1 4.31Å; F603-Y716 AromaticContact CE2-CD1 3.88Å; F603-Y716 HydrophobicContact CE2-CD1 3.88Å; F603-Y716 AromaticContact CE2-CE1 3.47Å; F603-Y716 HydrophobicContact CE2-CE1 3.47Å; F603-Y716 VanDerWaalsContact CE2-CE1 3.47Å; F603-Y716 HydrophobicContact CG-CE1 4.3Å; F603-Y716 AromaticContact CZ-CD1 3.68Å; F603-Y716 HydrophobicContact CZ-CD1 3.68Å; F603-Y716 AromaticContact CZ-CE1 3.78Å; F603-Y716 HydrophobicContact CZ-CE1 3.78Å; F603-Y716 WeakPolarHBondContact O-CE1 3.24Å; F603-Y716 PolarHBondContact O-OH 3.42Å
604	L	92.6	Very high	90.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	140.1	176.6	-55.4	179.6	0	0	0	111.8	I567 T569 V575 I580 L596 I597 P673 Q677	I567-L604 HydrophobicContact CG2-CD2 3.86Å; T569-L604 HydrophobicContact CG2-CD2 3.94Å; V575-L604 HydrophobicContact CG1-CD1 3.97Å; V575-L604 HydrophobicContact CG2-CD1 4.47Å; V575-L604 HydrophobicContact CG2-CD2 4.42Å; I580-L604 HydrophobicContact CD1-CD1 4.25Å; L596-L604 HydrophobicContact CD1-CB 4.1Å; L596-L604 HydrophobicContact CD1-CD1 4.27Å; L596-L604 HydrophobicContact CD2-CD1 4.21Å; I597-L604 CarbonylContact O-C 3.58Å; I597-L604 WeakPolarHBondContact O-CA 3.35Å; L604-P673 VanDerWaalsContact CD1-O 3.3Å; L604-P673 WeakPolarHBondContact CD1-O 3.47Å; L604-P673 WeakPolarHBondContact CG-O 3.41Å; L604-Q677 PolarHBondContact O-N 3.45Å
605	S	96.4	Very high	89.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	167.6	170.2	66.6	0	0	0	0	111.6	I597 K678 F715 Y716	I597-S605 WeakPolarHBondContact CB-OG 3.39Å; I597-S605 PolarHBondContact N-O 2.97Å; I597-S605 PolarHBondContact O-N 2.97Å; I597-S605 VanDerWaalsContact O-O 3.08Å; S605-K678 CarbonylContact C-O 3.59Å; S605-K678 WeakPolarHBondContact CA-O 3.5Å; S605-K678 WeakPolarHBondContact CB-O 3.47Å; S605-F715 VanDerWaalsContact CB-CD2 3.47Å; S605-F715 VanDerWaalsContact OG-CD2 3.29Å; S605-F715 WeakPolarHBondContact OG-CD2 3.28Å; S605-Y716 WeakPolarHBondContact CB-OH 3.48Å; S605-Y716 PolarHBondContact OG-OH 3.4Å
606	M	97.7	Very high	88.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.8	-178.5	-170.1	168.2	-79.7	0	0	113.1	I580 E581 V584 A594 M595 L596 L608 I676 K678 W679 A680	I580-M606 HydrophobicContact CG2-CE 4.12Å; E581-M606 HydrophobicContact CG-CE 4.21Å; V584-M606 HydrophobicContact CB-CE 4.48Å; V584-M606 HydrophobicContact CB-SD 4.07Å; V584-M606 HydrophobicContact CG1-SD 3.85Å; V584-M606 HydrophobicContact CG2-CE 3.93Å; V584-M606 HydrophobicContact CG2-SD 3.84Å; A594-M606 HydrophobicContact CB-CG 4.48Å; A594-M606 HydrophobicContact CB-SD 3.82Å; M595-M606 CarbonylContact O-C 3.53Å; M595-M606 WeakPolarHBondContact O-CA 3.43Å; L596-M606 HydrophobicContact CB-CE 4.14Å; L596-M606 HydrophobicContact CD1-CE 3.63Å; M606-L608 HydrophobicContact CG-CD2 3.74Å; M606-L608 HydrophobicContact CG-CG 4.22Å; M606-L608 HydrophobicContact SD-CD2 3.6Å; M606-L608 VanDerWaalsContact SD-CD2 3.6Å; M606-I676 HydrophobicContact CB-CG2 4.01Å; M606-I676 HydrophobicContact CE-CD1 3.54Å; M606-I676 HydrophobicContact CE-CG1 4.23Å; M606-I676 HydrophobicContact SD-CD1 4.11Å; M606-K678 PolarHBondContact N-O 3.05Å; M606-W679 HydrophobicContact CB-CB 4.16Å; M606-W679 CarbonylContact O-C 3.43Å; M606-W679 WeakPolarHBondContact O-CA 3.31Å; M606-W679 WeakPolarHBondContact O-CB 3.29Å; M606-A680 PolarHBondContact O-N 3.3Å
607	L	98	Very high	87.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.3	163.4	-61.4	178	0	0	0	109.1	A594 M595 I597 A680 L682 V704 Y708 I711 I712 F715	A594-L607 WeakPolarHBondContact CA-O 3.31Å; M595-L607 HydrophobicContact CB-CB 4.47Å; M595-L607 PolarHBondContact N-O 3.32Å; M595-L607 PolarHBondContact O-N 3.48Å; I597-L607 HydrophobicContact CD1-CD1 3.99Å; I597-L607 HydrophobicContact CD1-CD2 4.35Å; I597-L607 HydrophobicContact CD1-CG 3.63Å; L607-A680 HydrophobicContact CD2-CB 4.39Å; L607-L682 HydrophobicContact CB-CD1 4.13Å; L607-L682 HydrophobicContact CB-CG 4.37Å; L607-L682 HydrophobicContact CD1-CD1 4.34Å; L607-L682 HydrophobicContact CD2-CD2 4.08Å; L607-V704 HydrophobicContact CD1-CG1 4.12Å; L607-Y708 HydrophobicContact CD1-CD2 4.17Å; L607-Y708 HydrophobicContact CD1-CG 4.2Å; L607-I711 HydrophobicContact CD2-CG2 3.88Å; L607-I712 HydrophobicContact CD1-CD1 4.16Å; L607-I712 HydrophobicContact CD1-CG1 4.18Å; L607-I712 HydrophobicContact CD2-CG1 4.47Å; L607-F715 HydrophobicContact CD2-CE2 4Å; L607-F715 HydrophobicContact CD2-CZ 4.18Å
608	L	98.1	Very high	86.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.7	-177.4	-63.8	175.9	0	0	0	109.4	V584 I591 S593 A594 M606 I658 I662 W679 A680 I681 L682	V584-L608 HydrophobicContact CG1-CD2 4.08Å; I591-L608 HydrophobicContact CD1-CB 4.08Å; I591-L608 HydrophobicContact CD1-CD1 4.11Å; I591-L608 HydrophobicContact CD1-CD2 4.22Å; I591-L608 HydrophobicContact CD1-CG 4.37Å; I591-L608 HydrophobicContact CG1-CD2 4.44Å; I591-L608 HydrophobicContact CG2-CD2 4.08Å; S593-L608 WeakPolarHBondContact O-CA 3.31Å; A594-L608 HydrophobicContact CB-CD2 3.91Å; M606-L608 HydrophobicContact CG-CD2 3.74Å; M606-L608 HydrophobicContact CG-CG 4.22Å; M606-L608 HydrophobicContact SD-CD2 3.6Å; M606-L608 VanDerWaalsContact SD-CD2 3.6Å; L608-I658 HydrophobicContact CD1-CG2 3.75Å; L608-I662 HydrophobicContact CD1-CD1 4.25Å; L608-W679 HydrophobicContact CD1-CB 4.35Å; L608-W679 HydrophobicContact CD1-CD2 4.32Å; L608-W679 HydrophobicContact CD1-CE3 3.99Å; L608-W679 HydrophobicContact CD1-CG 4.5Å; L608-A680 PolarHBondContact N-O 3.36Å; L608-I681 HydrophobicContact CB-CG1 4.45Å; L608-I681 CarbonylContact O-C 3.47Å; L608-I681 WeakPolarHBondContact O-CA 2.82Å; L608-L682 PolarHBondContact O-N 3Å
609	T	96.9	Very high	86	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152.1	165.9	68.2	0	0	0	0	109.3	I591 S592 S593 L682 D685 F686	I591-T609 CarbonylContact C-O 3.45Å; I591-T609 WeakPolarHBondContact CA-O 3.48Å; S592-T609 PolarHBondContact N-O 2.81Å; S593-T609 WeakPolarHBondContact CA-OG1 3.44Å; S593-T609 WeakPolarHBondContact CB-OG1 3.33Å; S593-T609 PolarHBondContact N-OG1 3.48Å; S593-T609 PolarHBondContact O-N 2.98Å; T609-L682 HydrophobicContact CG2-CB 4.22Å; T609-L682 HydrophobicContact CG2-CD1 4.04Å; T609-D685 VanDerWaalsContact CB-OD1 3.24Å; T609-D685 WeakPolarHBondContact CB-OD1 3.49Å; T609-D685 PolarHBondContact OG1-OD1 2.82Å; T609-F686 HydrophobicContact CG2-CD1 3.9Å; T609-F686 HydrophobicContact CG2-CE1 3.86Å; T609-F686 HydrophobicContact CG2-CG 4.32Å; T609-F686 HydrophobicContact CG2-CZ 4.22Å
610	L	95.8	Very high	86.1	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	150.4	179.8	-53.3	-175.1	0	0	0	110.4	I590 I591 C612 L625 V643 I646 I681	I590-L610 HydrophobicContact CD1-CD1 4.45Å; I590-L610 HydrophobicContact CD1-CD2 4.38Å; I590-L610 HydrophobicContact CG1-CD2 4.23Å; I590-L610 HydrophobicContact CG2-CD2 4.42Å; I590-L610 WeakPolarHBondContact O-CA 3.29Å; I591-L610 HydrophobicContact CD1-CD2 3.84Å; L610-C612 PolarHBondContact O-N 2.89Å; L610-C612 VanDerWaalsContact O-N 3.09Å; L610-L625 HydrophobicContact CB-CD2 4.01Å; L610-L625 HydrophobicContact CD1-CD2 4.21Å; L610-V643 HydrophobicContact CB-CG2 4.24Å; L610-V643 HydrophobicContact CD1-CG1 4.33Å; L610-I646 HydrophobicContact CD1-CB 4.29Å; L610-I646 HydrophobicContact CD1-CD1 3.62Å; L610-I646 HydrophobicContact CD1-CG2 4.08Å; L610-I681 HydrophobicContact CD1-CG2 4.02Å; L610-I681 HydrophobicContact CD2-CG2 3.93Å; L610-I681 HydrophobicContact CG-CG2 3.72Å
611	K	92.2	Very high	86.6	Confident	26 Å²	26	43.8 Å²	43.8	11%	0.113	23%	0.228	C	C	.	.			trans	-64.8	109.1	172.6	-69.6	-179.7	179	167.5	0	109.6	E455 P589 I590 I591 T626 A629	E455-K611 IonicContact OE2-NZ 2.74Å; P589-K611 VanDerWaalsContact O-CD 3.28Å; P589-K611 WeakPolarHBondContact O-CD 3.34Å; P589-K611 WeakPolarHBondContact O-CE 3.28Å; P589-K611 PolarHBondContact O-NZ 2.9Å; I590-K611 PolarHBondContact O-N 3.45Å; I591-K611 WeakPolarHBondContact O-CE 3.49Å; K611-T626 HydrophobicContact CB-CG2 4.08Å; K611-T626 WeakPolarHBondContact CB-OG1 3.47Å; K611-T626 PolarHBondContact O-N 2.96Å; K611-A629 HydrophobicContact CB-CB 4.27Å
612	C	91.1	Very high	87	Confident	10 Å²	10	42.1 Å²	42.1	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	160.1	174.5	59.3	0	0	0	0	111.2	L610 T622 S624 T626 V643	L610-C612 PolarHBondContact O-N 2.89Å; L610-C612 VanDerWaalsContact O-N 3.09Å; C612-T622 VanDerWaalsContact CB-O 3.23Å; C612-T622 WeakPolarHBondContact CB-O 3.38Å; C612-T622 PolarHBondContact SG-O 3.01Å; C612-S624 CarbonylContact C-O 3.46Å; C612-S624 WeakPolarHBondContact CA-O 3.49Å; C612-S624 VanDerWaalsContact CB-O 3.24Å; C612-S624 WeakPolarHBondContact CB-O 3.18Å; C612-T626 WeakPolarHBondContact O-CG2 3.49Å; C612-V643 HydrophobicContact CB-CG2 4.27Å
613	T	88	Confident	87.8	Confident	57 Å²	57	37.5 Å²	37.5	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	152.6	172.8	61.9	0	0	0	0	110	T622 S624 T626	T613-T622 WeakPolarHBondContact O-CB 3.41Å; T613-T622 WeakPolarHBondContact O-CG2 3.17Å; T613-T622 PolarHBondContact O-N 2.87Å; T613-T622 PolarHBondContact O-OG1 2.98Å; T613-T622 PolarHBondContact OG1-OG1 3.33Å; T613-S624 PolarHBondContact N-O 3.24Å; T613-S624 PolarHBondContact OG1-O 3.34Å; T613-T626 HydrophobicContact CG2-CG2 4.47Å
614	L	82	Confident	88.1	Confident	52 Å²	52	38.8 Å²	38.8	27%	0.272	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.2	174.2	-61.4	178.2	0	0	0	109.7	P616 E620 P621	L614-P616 WeakPolarHBondContact O-CD 3.28Å; L614-E620 CarbonylContact C-O 3.53Å; L614-E620 VanDerWaalsContact CA-O 3.32Å; L614-E620 WeakPolarHBondContact CA-O 3.43Å; L614-P621 HydrophobicContact CD2-CB 4.42Å; L614-P621 HydrophobicContact CD2-CG 4.12Å
615	D	78.2	Confident	88.2	Confident	56 Å²	56	39.2 Å²	39.2	30%	0.299	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-64	123.1	169.3	178.2	-74.8	0	0	0	109.2	E617 T618 S619 E620 T622	D615-E617 VanDerWaalsContact C-N 3.27Å; D615-E617 PolarHBondContact O-N 3.48Å; D615-E617 PolarHBondContact OD1-N 3.24Å; D615-T618 VanDerWaalsContact CB-OG1 3.24Å; D615-T618 WeakPolarHBondContact CB-OG1 3.39Å; D615-T618 PolarHBondContact OD1-N 2.95Å; D615-T618 PolarHBondContact OD1-OG1 3.02Å; D615-S619 WeakPolarHBondContact O-CA 3.38Å; D615-S619 PolarHBondContact O-N 3.43Å; D615-E620 PolarHBondContact N-O 3.49Å; D615-T622 HydrophobicContact CB-CG2 4.06Å
616	P	70.8	Confident	87.8	Confident	108 Å²	108	40.5 Å²	40.5	70%	0.701	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.1	-174.7	-24.9	34.4	0	0	0	114.5	L614	L614-P616 WeakPolarHBondContact O-CD 3.28Å
617	E	68.7	Low	87.4	Confident	162 Å²	162	45.2 Å²	45.2	76%	0.757	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-45.9	-174.4	-62.5	-170.3	170.2	0	0	111.5	K354 D615	K354-E617 PolarHBondContact NZ-O 2.8Å; D615-E617 VanDerWaalsContact C-N 3.27Å; D615-E617 PolarHBondContact O-N 3.48Å; D615-E617 PolarHBondContact OD1-N 3.24Å
618	T	76.1	Confident	86.7	Confident	81 Å²	81	47.4 Å²	47.4	50%	0.497	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-18.1	-173.6	63.6	0	0	0	0	113.3	D615 E620	D615-T618 VanDerWaalsContact CB-OG1 3.24Å; D615-T618 WeakPolarHBondContact CB-OG1 3.39Å; D615-T618 PolarHBondContact OD1-N 2.95Å; D615-T618 PolarHBondContact OD1-OG1 3.02Å; T618-E620 PolarHBondContact O-N 3.42Å; T618-E620 PolarHBondContact OG1-N 3.1Å
619	S	75.3	Confident	86.4	Confident	48 Å²	48	47.4 Å²	47.4	34%	0.336	26%	0.264	S	S	.	.			trans	61	20.8	-170.5	-58.6	0	0	0	0	114.4	D615	D615-S619 WeakPolarHBondContact O-CA 3.38Å; D615-S619 PolarHBondContact O-N 3.43Å
620	E	84.2	Confident	86.2	Confident	36 Å²	36	49 Å²	49	17%	0.168	27%	0.274	C	S	.	.			trans	-85.3	146	178.6	-74	-57.5	138	0	0	113.2	L614 D615 T618 T622 R684 S687 S689	L614-E620 CarbonylContact C-O 3.53Å; L614-E620 VanDerWaalsContact CA-O 3.32Å; L614-E620 WeakPolarHBondContact CA-O 3.43Å; D615-E620 PolarHBondContact N-O 3.49Å; T618-E620 PolarHBondContact O-N 3.42Å; T618-E620 PolarHBondContact OG1-N 3.1Å; E620-T622 PolarHBondContact O-N 3.15Å; E620-R684 IonicContact OE2-CZ 3.65Å; E620-R684 IonicContact OE2-NH2 2.77Å; E620-R684 PolarHBondContact OE2-NH2 3.42Å; E620-S687 WeakPolarHBondContact OE2-CB 3.37Å; E620-S687 PolarHBondContact OE2-OG 3.17Å; E620-S689 WeakPolarHBondContact OE1-CB 3.34Å; E620-S689 PolarHBondContact OE1-OG 3.36Å; E620-S689 PolarHBondContact OE2-OG 2.97Å
621	P	87.4	Confident	85.9	Confident	12 Å²	12	53 Å²	53	8%	0.078	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	127.6	168.7	-26.3	37	0	0	0	112.2	L614 R684 D685	L614-P621 HydrophobicContact CD2-CB 4.42Å; L614-P621 HydrophobicContact CD2-CG 4.12Å; P621-R684 HydrophobicContact CB-CG 4.2Å; P621-D685 HydrophobicContact CB-CB 3.84Å; P621-D685 HydrophobicContact CG-CB 3.92Å
622	T	92.2	Very high	86	Confident	43 Å²	43	52.5 Å²	52.5	26%	0.264	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	175.7	172.2	80.4	0	0	0	0	111.2	C612 T613 D615 E620 S624	C612-T622 VanDerWaalsContact CB-O 3.23Å; C612-T622 WeakPolarHBondContact CB-O 3.38Å; C612-T622 PolarHBondContact SG-O 3.01Å; T613-T622 WeakPolarHBondContact O-CB 3.41Å; T613-T622 WeakPolarHBondContact O-CG2 3.17Å; T613-T622 PolarHBondContact O-N 2.87Å; T613-T622 PolarHBondContact O-OG1 2.98Å; T613-T622 PolarHBondContact OG1-OG1 3.33Å; D615-T622 HydrophobicContact CB-CG2 4.06Å; E620-T622 PolarHBondContact O-N 3.15Å; T622-S624 VanDerWaalsContact C-N 3.35Å; T622-S624 PolarHBondContact OG1-N 2.89Å
623	D	94.5	Very high	86.1	Confident	61 Å²	61	52 Å²	52	33%	0.326	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-15.9	175.1	-171.2	50.2	0	0	0	113.2	T642 V643 S644	D623-T642 CarbonylContact O-C 3.5Å; D623-T642 WeakPolarHBondContact O-CA 3.5Å; D623-T642 VanDerWaalsContact O-CB 3.32Å; D623-T642 WeakPolarHBondContact O-CB 3.14Å; D623-T642 VanDerWaalsContact OD2-CB 3.28Å; D623-T642 WeakPolarHBondContact OD2-CB 3.47Å; D623-V643 PolarHBondContact O-N 3.14Å; D623-S644 VanDerWaalsContact CG-OG 3.22Å; D623-S644 VanDerWaalsContact OD1-CB 3.28Å; D623-S644 WeakPolarHBondContact OD1-CB 3.5Å; D623-S644 PolarHBondContact OD1-N 3.11Å; D623-S644 PolarHBondContact OD1-OG 3.01Å; D623-S644 WeakPolarHBondContact OD2-CB 3.26Å; D623-S644 PolarHBondContact OD2-OG 3.22Å
624	S	94.7	Very high	86.4	Confident	60 Å²	60	55.4 Å²	55.4	42%	0.42	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.3	-177.4	-59.7	0	0	0	0	111.4	C612 T613 T622	C612-S624 CarbonylContact C-O 3.46Å; C612-S624 WeakPolarHBondContact CA-O 3.49Å; C612-S624 VanDerWaalsContact CB-O 3.24Å; C612-S624 WeakPolarHBondContact CB-O 3.18Å; T613-S624 PolarHBondContact N-O 3.24Å; T613-S624 PolarHBondContact OG1-O 3.34Å; T622-S624 VanDerWaalsContact C-N 3.35Å; T622-S624 PolarHBondContact OG1-N 2.89Å
625	L	93.1	Very high	87	Confident	10 Å²	10	61.4 Å²	61.4	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	150.5	176	-65.8	173.1	0	0	0	111.1	L610 A629 V630 S641 V643 I646	L610-L625 HydrophobicContact CB-CD2 4.01Å; L610-L625 HydrophobicContact CD1-CD2 4.21Å; L625-A629 HydrophobicContact CB-CB 3.94Å; L625-A629 HydrophobicContact CD2-CB 4.17Å; L625-A629 HydrophobicContact CG-CB 4.46Å; L625-V630 HydrophobicContact CB-CG2 3.79Å; L625-S641 WeakPolarHBondContact CB-O 3.45Å; L625-S641 WeakPolarHBondContact CG-O 3.09Å; L625-S641 PolarHBondContact N-O 3.32Å; L625-V643 HydrophobicContact CD2-CG2 3.72Å; L625-I646 HydrophobicContact CD1-CD1 3.63Å; L625-I646 HydrophobicContact CD2-CD1 4.38Å
626	T	89.4	Confident	87.8	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.16	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-66.3	157.1	167.8	63.3	0	0	0	0	110.6	K611 C612 T613 Q628 A629 V630	K611-T626 HydrophobicContact CB-CG2 4.08Å; K611-T626 WeakPolarHBondContact CB-OG1 3.47Å; K611-T626 PolarHBondContact O-N 2.96Å; C612-T626 WeakPolarHBondContact O-CG2 3.49Å; T613-T626 HydrophobicContact CG2-CG2 4.47Å; T626-Q628 PolarHBondContact O-N 2.99Å; T626-A629 WeakPolarHBondContact O-CA 3.4Å; T626-A629 WeakPolarHBondContact O-CB 3.32Å; T626-A629 PolarHBondContact O-N 3.17Å; T626-A629 PolarHBondContact OG1-N 3.18Å; T626-V630 WeakPolarHBondContact O-CG2 3.42Å; T626-V630 PolarHBondContact O-N 3.36Å
627	E	87.8	Confident	88.9	Confident	100 Å²	100	58.8 Å²	58.8	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-54.1	-39.5	176.5	-67.2	-176	170.9	0	0	112.2	A629 V630 E631	E627-A629 VanDerWaalsContact C-N 3.33Å; E627-A629 PolarHBondContact O-N 3.46Å; E627-V630 PolarHBondContact O-N 3.38Å; E627-E631 PolarHBondContact O-N 3.08Å
628	Q	85	Confident	90.1	Very high	45 Å²	45	51.3 Å²	51.3	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-40.6	175.9	-169.9	-172.3	24.1	0	0	112.1	E455 T626 F632	E455-Q628 PolarHBondContact OE1-NE2 3.07Å; E455-Q628 VanDerWaalsContact OE1-NE2 3.14Å; T626-Q628 PolarHBondContact O-N 2.99Å; Q628-F632 PolarHBondContact O-N 3.47Å; Q628-F632 VanDerWaalsContact O-N 3.08Å
629	A	91.2	Very high	90.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70	-37.2	176.6	0	0	0	0	0	111.9	I590 K611 L625 T626 E627 F632 C633	I590-A629 HydrophobicContact CG1-CB 3.79Å; K611-A629 HydrophobicContact CB-CB 4.27Å; L625-A629 HydrophobicContact CB-CB 3.94Å; L625-A629 HydrophobicContact CD2-CB 4.17Å; L625-A629 HydrophobicContact CG-CB 4.46Å; T626-A629 WeakPolarHBondContact O-CA 3.4Å; T626-A629 WeakPolarHBondContact O-CB 3.32Å; T626-A629 PolarHBondContact O-N 3.17Å; T626-A629 PolarHBondContact OG1-N 3.18Å; E627-A629 VanDerWaalsContact C-N 3.33Å; E627-A629 PolarHBondContact O-N 3.46Å; A629-F632 WeakPolarHBondContact O-CB 3.35Å; A629-F632 PolarHBondContact O-N 3.42Å; A629-C633 PolarHBondContact O-N 3.22Å; A629-C633 PolarHBondContact O-SG 2.7Å
630	V	92	Very high	91.8	Very high	34 Å²	34	55.1 Å²	55.1	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-44.2	173.3	176.6	0	0	0	0	111.3	L625 T626 E627 F632 C633 Q634	L625-V630 HydrophobicContact CB-CG2 3.79Å; T626-V630 WeakPolarHBondContact O-CG2 3.42Å; T626-V630 PolarHBondContact O-N 3.36Å; E627-V630 PolarHBondContact O-N 3.38Å; V630-F632 VanDerWaalsContact C-N 3.27Å; V630-F632 PolarHBondContact O-N 2.89Å; V630-C633 WeakPolarHBondContact O-CB 3.2Å; V630-C633 PolarHBondContact O-N 3.29Å; V630-C633 VanDerWaalsContact O-N 3.13Å; V630-Q634 HydrophobicContact CG1-CG 4.47Å; V630-Q634 WeakPolarHBondContact O-CG 3.19Å; V630-Q634 PolarHBondContact O-N 3.45Å
631	E	90.9	Very high	92.2	Very high	87 Å²	87	56.1 Å²	56.1	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-39.4	174.2	-77.1	-169.4	157.2	0	0	111.3	R395 E627 R635	R395-E631 IonicContact CZ-OE1 3.89Å; R395-E631 IonicContact NH1-OE1 3.86Å; R395-E631 IonicContact NH2-OE1 3.08Å; R395-E631 PolarHBondContact NH2-OE1 2.95Å; R395-E631 VanDerWaalsContact NH2-OE1 3.08Å; R395-E631 IonicContact NH2-OE2 3.74Å; E627-E631 PolarHBondContact O-N 3.08Å; E631-R635 WeakPolarHBondContact O-CB 3.42Å; E631-R635 PolarHBondContact O-N 3.19Å
632	F	92.7	Very high	92.6	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.066	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-49	173	179.8	-79.3	0	0	0	111.3	L588 I590 Q628 A629 V630 Q634 R635 V636 A657	L588-F632 HydrophobicContact CD2-CZ 4.25Å; I590-F632 HydrophobicContact CB-CB 4.27Å; I590-F632 HydrophobicContact CB-CD1 3.81Å; I590-F632 HydrophobicContact CB-CD2 4.27Å; I590-F632 HydrophobicContact CB-CE1 4.2Å; I590-F632 HydrophobicContact CB-CG 3.86Å; I590-F632 HydrophobicContact CD1-CD1 3.78Å; I590-F632 HydrophobicContact CD1-CE1 4.29Å; I590-F632 HydrophobicContact CD1-CG 4.49Å; I590-F632 HydrophobicContact CG1-CD1 4.27Å; I590-F632 HydrophobicContact CG2-CD1 4.04Å; I590-F632 HydrophobicContact CG2-CE1 3.89Å; I590-F632 HydrophobicContact CG2-CE2 4.45Å; I590-F632 HydrophobicContact CG2-CG 4.39Å; I590-F632 HydrophobicContact CG2-CZ 4.12Å; Q628-F632 PolarHBondContact O-N 3.47Å; Q628-F632 VanDerWaalsContact O-N 3.08Å; A629-F632 WeakPolarHBondContact O-CB 3.35Å; A629-F632 PolarHBondContact O-N 3.42Å; V630-F632 VanDerWaalsContact C-N 3.27Å; V630-F632 PolarHBondContact O-N 2.89Å; F632-Q634 VanDerWaalsContact C-N 3.35Å; F632-Q634 PolarHBondContact O-N 3.38Å; F632-R635 VanDerWaalsContact CD2-NH2 3.29Å; F632-R635 PolarHBondContact O-N 3.36Å; F632-V636 HydrophobicContact CD1-CG1 4.33Å; F632-V636 HydrophobicContact CD1-CG2 4.43Å; F632-V636 HydrophobicContact CE1-CG1 3.91Å; F632-V636 HydrophobicContact CE1-CG2 4.27Å; F632-V636 HydrophobicContact CZ-CG1 4.08Å; F632-V636 PolarHBondContact O-N 3.05Å; F632-V636 VanDerWaalsContact O-N 3.14Å; F632-A657 HydrophobicContact CE1-CB 4.19Å; F632-A657 HydrophobicContact CZ-CB 4.01Å
633	C	94.4	Very high	92.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-48.3	179.3	-65.9	0	0	0	0	111.1	A629 V630 R635 V636 G637 S638	A629-C633 PolarHBondContact O-N 3.22Å; A629-C633 PolarHBondContact O-SG 2.7Å; V630-C633 WeakPolarHBondContact O-CB 3.2Å; V630-C633 PolarHBondContact O-N 3.29Å; V630-C633 VanDerWaalsContact O-N 3.13Å; C633-R635 VanDerWaalsContact C-N 3.34Å; C633-R635 PolarHBondContact O-N 3.32Å; C633-V636 WeakPolarHBondContact O-CG2 3.28Å; C633-V636 PolarHBondContact O-N 3.17Å; C633-G637 PolarHBondContact O-N 3.48Å; C633-G637 VanDerWaalsContact O-N 3.15Å; C633-S638 CarbonylContact C-O 3.6Å; C633-S638 VanDerWaalsContact C-O 3.31Å; C633-S638 WeakPolarHBondContact O-CA 3.48Å; C633-S638 WeakPolarHBondContact O-CB 3.31Å; C633-S638 PolarHBondContact O-N 2.91Å
634	Q	94.3	Very high	92.8	Very high	128 Å²	128	54.7 Å²	54.7	60%	0.598	29%	0.292	S	S	*	.	H	α-helix	trans	-60.8	-41.6	178.4	-69.3	173.9	3	0	0	112.5	V630 F632 V636 G637 S638	V630-Q634 HydrophobicContact CG1-CG 4.47Å; V630-Q634 WeakPolarHBondContact O-CG 3.19Å; V630-Q634 PolarHBondContact O-N 3.45Å; F632-Q634 VanDerWaalsContact C-N 3.35Å; F632-Q634 PolarHBondContact O-N 3.38Å; Q634-V636 VanDerWaalsContact C-N 3.28Å; Q634-V636 PolarHBondContact O-N 2.92Å; Q634-G637 PolarHBondContact O-N 3.39Å; Q634-G637 VanDerWaalsContact O-N 3.1Å; Q634-S638 WeakPolarHBondContact CA-O 3.44Å; Q634-S638 PolarHBondContact N-O 2.87Å
635	R	93.9	Very high	92.8	Very high	177 Å²	177	55.3 Å²	55.3	67%	0.668	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-32.6	179.2	-178.4	174.5	59.5	-156.4	-3.7	112.8	E631 F632 C633 G637	E631-R635 WeakPolarHBondContact O-CB 3.42Å; E631-R635 PolarHBondContact O-N 3.19Å; F632-R635 VanDerWaalsContact CD2-NH2 3.29Å; F632-R635 PolarHBondContact O-N 3.36Å; C633-R635 VanDerWaalsContact C-N 3.34Å; C633-R635 PolarHBondContact O-N 3.32Å; R635-G637 VanDerWaalsContact C-N 3.32Å
636	V	94.7	Very high	92.9	Very high	46 Å²	46	54.9 Å²	54.9	28%	0.279	29%	0.286	S	S	.	.	H	α-helix	trans	-87.5	-2.4	176.7	-55.8	0	0	0	0	112.8	F632 C633 Q634 A653 V654 A657	F632-V636 HydrophobicContact CD1-CG1 4.33Å; F632-V636 HydrophobicContact CD1-CG2 4.43Å; F632-V636 HydrophobicContact CE1-CG1 3.91Å; F632-V636 HydrophobicContact CE1-CG2 4.27Å; F632-V636 HydrophobicContact CZ-CG1 4.08Å; F632-V636 PolarHBondContact O-N 3.05Å; F632-V636 VanDerWaalsContact O-N 3.14Å; C633-V636 WeakPolarHBondContact O-CG2 3.28Å; C633-V636 PolarHBondContact O-N 3.17Å; Q634-V636 VanDerWaalsContact C-N 3.28Å; Q634-V636 PolarHBondContact O-N 2.92Å; V636-A653 HydrophobicContact CG2-CB 4.36Å; V636-A653 WeakPolarHBondContact O-CB 3.38Å; V636-V654 HydrophobicContact CG2-CG2 4.21Å; V636-A657 HydrophobicContact CB-CB 4.1Å; V636-A657 HydrophobicContact CG1-CB 3.62Å; V636-A657 HydrophobicContact CG2-CB 4.45Å
637	G	93.8	Very high	93.1	Very high	63 Å²	63	54.7 Å²	54.7	65%	0.649	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	7.6	177.3	0	0	0	0	0	115.1	C633 Q634 R635	C633-G637 PolarHBondContact O-N 3.48Å; C633-G637 VanDerWaalsContact O-N 3.15Å; Q634-G637 PolarHBondContact O-N 3.39Å; Q634-G637 VanDerWaalsContact O-N 3.1Å; R635-G637 VanDerWaalsContact C-N 3.32Å
638	S	94.3	Very high	93.2	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.042	29%	0.292	C	S	.	.			trans	-87.5	146.7	174	172.1	0	0	0	0	111.9	C633 Q634 A640 D651	C633-S638 CarbonylContact C-O 3.6Å; C633-S638 VanDerWaalsContact C-O 3.31Å; C633-S638 WeakPolarHBondContact O-CA 3.48Å; C633-S638 WeakPolarHBondContact O-CB 3.31Å; C633-S638 PolarHBondContact O-N 2.91Å; Q634-S638 WeakPolarHBondContact CA-O 3.44Å; Q634-S638 PolarHBondContact N-O 2.87Å; S638-A640 VanDerWaalsContact OG-CB 3.3Å; S638-A640 WeakPolarHBondContact OG-CB 3.29Å; S638-A640 PolarHBondContact OG-N 2.84Å; S638-D651 VanDerWaalsContact CB-OD2 3.3Å; S638-D651 WeakPolarHBondContact CB-OD2 3.3Å; S638-D651 PolarHBondContact OG-OD2 3.15Å
639	K	93.4	Very high	93.4	Very high	203 Å²	203	57.7 Å²	57.7	88%	0.883	32%	0.315	S	S	*	.			trans	-100.8	5.3	171.7	-64.2	-178.6	-178.1	176.1	0	112.7
640	A	93.3	Very high	93.5	Very high	6 Å²	6	65.8 Å²	65.8	5%	0.05	35%	0.345	C	S	.	.			trans	-63.9	140.5	-176.1	0	0	0	0	0	111.3	S638 E645 I646	S638-A640 VanDerWaalsContact OG-CB 3.3Å; S638-A640 WeakPolarHBondContact OG-CB 3.29Å; S638-A640 PolarHBondContact OG-N 2.84Å; A640-E645 WeakPolarHBondContact CA-OE2 3.47Å; A640-E645 HydrophobicContact CB-CB 4.16Å; A640-I646 HydrophobicContact CB-CD1 4.13Å; A640-I646 HydrophobicContact CB-CG1 3.49Å; A640-I646 VanDerWaalsContact CB-CG1 3.49Å
641	S	93.3	Very high	93.6	Very high	57 Å²	57	65.4 Å²	65.4	40%	0.399	34%	0.342	S	S	.	.			trans	-125.1	-9.3	178.7	63.8	0	0	0	0	112.7	L625 E645	L625-S641 WeakPolarHBondContact CB-O 3.45Å; L625-S641 WeakPolarHBondContact CG-O 3.09Å; L625-S641 PolarHBondContact N-O 3.32Å; S641-E645 PolarHBondContact N-OE2 2.93Å; S641-E645 PolarHBondContact OG-OE2 3.46Å
642	T	95.9	Very high	93.8	Very high	25 Å²	25	69.5 Å²	69.5	15%	0.153	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-127.2	157.3	177.5	69.9	0	0	0	0	112.5	D623 S644 E645 I646	D623-T642 CarbonylContact O-C 3.5Å; D623-T642 WeakPolarHBondContact O-CA 3.5Å; D623-T642 VanDerWaalsContact O-CB 3.32Å; D623-T642 WeakPolarHBondContact O-CB 3.14Å; D623-T642 VanDerWaalsContact OD2-CB 3.28Å; D623-T642 WeakPolarHBondContact OD2-CB 3.47Å; T642-S644 VanDerWaalsContact C-N 3.33Å; T642-E645 PolarHBondContact N-OE2 3.03Å; T642-E645 PolarHBondContact O-N 2.81Å; T642-E645 WeakPolarHBondContact OG1-CB 3.39Å; T642-E645 WeakPolarHBondContact OG1-CG 3.34Å; T642-E645 PolarHBondContact OG1-N 2.72Å; T642-E645 VanDerWaalsContact OG1-N 3.15Å; T642-I646 PolarHBondContact O-N 3.13Å
643	V	95	Very high	93.9	Very high	4 Å²	4	70.2 Å²	70.2	2%	0.024	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-41.4	175.3	-177.9	0	0	0	0	110.1	L610 C612 D623 L625 E645 I646 V647 Q683	L610-V643 HydrophobicContact CB-CG2 4.24Å; L610-V643 HydrophobicContact CD1-CG1 4.33Å; C612-V643 HydrophobicContact CB-CG2 4.27Å; D623-V643 PolarHBondContact O-N 3.14Å; L625-V643 HydrophobicContact CD2-CG2 3.72Å; V643-E645 VanDerWaalsContact C-N 3.33Å; V643-E645 PolarHBondContact O-N 3.17Å; V643-I646 PolarHBondContact O-N 3.12Å; V643-V647 HydrophobicContact CG1-CG2 3.98Å; V643-V647 WeakPolarHBondContact O-CG2 3.21Å; V643-V647 PolarHBondContact O-N 3.02Å; V643-Q683 WeakPolarHBondContact CG1-O 3.39Å
644	S	95.1	Very high	94	Very high	57 Å²	57	70.2 Å²	70.2	40%	0.399	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-36.1	178.5	-66.5	0	0	0	0	113.4	D623 T642 G648	D623-S644 VanDerWaalsContact CG-OG 3.22Å; D623-S644 VanDerWaalsContact OD1-CB 3.28Å; D623-S644 WeakPolarHBondContact OD1-CB 3.5Å; D623-S644 PolarHBondContact OD1-N 3.11Å; D623-S644 PolarHBondContact OD1-OG 3.01Å; D623-S644 WeakPolarHBondContact OD2-CB 3.26Å; D623-S644 PolarHBondContact OD2-OG 3.22Å; T642-S644 VanDerWaalsContact C-N 3.33Å; S644-G648 WeakPolarHBondContact O-CA 3.42Å; S644-G648 PolarHBondContact O-N 3.34Å
645	E	94.5	Very high	94.1	Very high	73 Å²	73	65.8 Å²	65.8	34%	0.341	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-50.2	172.6	-79.1	168.6	176	0	0	111	A640 S641 T642 V643 Q649	A640-E645 WeakPolarHBondContact CA-OE2 3.47Å; A640-E645 HydrophobicContact CB-CB 4.16Å; S641-E645 PolarHBondContact N-OE2 2.93Å; S641-E645 PolarHBondContact OG-OE2 3.46Å; T642-E645 PolarHBondContact N-OE2 3.03Å; T642-E645 PolarHBondContact O-N 2.81Å; T642-E645 WeakPolarHBondContact OG1-CB 3.39Å; T642-E645 WeakPolarHBondContact OG1-CG 3.34Å; T642-E645 PolarHBondContact OG1-N 2.72Å; T642-E645 VanDerWaalsContact OG1-N 3.15Å; V643-E645 VanDerWaalsContact C-N 3.33Å; V643-E645 PolarHBondContact O-N 3.17Å; E645-Q649 WeakPolarHBondContact O-CB 3.48Å; E645-Q649 PolarHBondContact O-N 3.26Å; E645-Q649 VanDerWaalsContact O-N 3.1Å
646	I	95.2	Very high	94.3	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-50.9	-179.1	-65.4	173	0	0	0	111	I590 L610 L625 A640 T642 V643 R650 D651 V654 Y655 I681	I590-I646 HydrophobicContact CD1-CD1 4.31Å; L610-I646 HydrophobicContact CD1-CB 4.29Å; L610-I646 HydrophobicContact CD1-CD1 3.62Å; L610-I646 HydrophobicContact CD1-CG2 4.08Å; L625-I646 HydrophobicContact CD1-CD1 3.63Å; L625-I646 HydrophobicContact CD2-CD1 4.38Å; A640-I646 HydrophobicContact CB-CD1 4.13Å; A640-I646 HydrophobicContact CB-CG1 3.49Å; A640-I646 VanDerWaalsContact CB-CG1 3.49Å; T642-I646 PolarHBondContact O-N 3.13Å; V643-I646 PolarHBondContact O-N 3.12Å; I646-R650 VanDerWaalsContact O-CA 3.23Å; I646-R650 WeakPolarHBondContact O-CA 3.28Å; I646-R650 PolarHBondContact O-N 3.42Å; I646-R650 VanDerWaalsContact O-N 3.11Å; I646-D651 HydrophobicContact CG2-CB 4.4Å; I646-D651 PolarHBondContact O-N 3.03Å; I646-V654 HydrophobicContact CD1-CG1 4.34Å; I646-V654 HydrophobicContact CD1-CG2 4.31Å; I646-V654 HydrophobicContact CG1-CG2 4.39Å; I646-V654 HydrophobicContact CG2-CB 4.19Å; I646-V654 HydrophobicContact CG2-CG1 3.86Å; I646-Y655 HydrophobicContact CG2-CD2 4.48Å; I646-Y655 HydrophobicContact CG2-CE2 4.12Å; I646-Y655 WeakPolarHBondContact O-CE2 3.39Å; I646-I681 HydrophobicContact CG2-CD1 4.3Å
647	V	94.5	Very high	94.4	Very high	22 Å²	22	60.5 Å²	60.5	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-73.6	-44.7	-174.7	178.6	0	0	0	0	111.1	V643 R650 I681 Q683	V643-V647 HydrophobicContact CG1-CG2 3.98Å; V643-V647 WeakPolarHBondContact O-CG2 3.21Å; V643-V647 PolarHBondContact O-N 3.02Å; V647-R650 PolarHBondContact O-N 2.92Å; V647-I681 HydrophobicContact CG2-CB 4.11Å; V647-I681 HydrophobicContact CG2-CG2 3.68Å; V647-Q683 HydrophobicContact CB-CG 4.36Å; V647-Q683 HydrophobicContact CG1-CG 3.85Å
648	G	90.4	Very high	94.6	Very high	60 Å²	60	57.5 Å²	57.5	62%	0.619	30%	0.299	S	S	*	.	H	α-helix	trans	-68	-39.2	-175.7	0	0	0	0	0	113.4	S644	S644-G648 WeakPolarHBondContact O-CA 3.42Å; S644-G648 PolarHBondContact O-N 3.34Å
649	Q	89.6	Confident	94.7	Very high	149 Å²	149	60.9 Å²	60.9	70%	0.696	31%	0.314	S	S	*	.	H	α-helix	trans	-90.7	-5.2	177.6	-58.5	-178.9	6.6	0	0	112.9	E645 D651	E645-Q649 WeakPolarHBondContact O-CB 3.48Å; E645-Q649 PolarHBondContact O-N 3.26Å; E645-Q649 VanDerWaalsContact O-N 3.1Å; Q649-D651 VanDerWaalsContact C-N 3.28Å; Q649-D651 PolarHBondContact O-N 3.08Å
650	R	91.5	Very high	94.9	Very high	170 Å²	170	55.3 Å²	55.3	64%	0.642	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	56.3	-167	-57.6	-173.6	83.8	160.6	7.3	110.8	I646 V647 E652 Y655	I646-R650 VanDerWaalsContact O-CA 3.23Å; I646-R650 WeakPolarHBondContact O-CA 3.28Å; I646-R650 PolarHBondContact O-N 3.42Å; I646-R650 VanDerWaalsContact O-N 3.11Å; V647-R650 PolarHBondContact O-N 2.92Å; R650-E652 PolarHBondContact O-N 3.2Å; R650-Y655 HydrophobicContact CB-CD2 4.49Å; R650-Y655 HydrophobicContact CB-CE2 4.19Å
651	D	94.6	Very high	95	Very high	25 Å²	25	55 Å²	55	13%	0.134	29%	0.289	C	S	.	.			trans	-43.1	109.9	-174	-178.3	-55.4	0	0	0	111	S638 I646 Q649 A653 V654 Y655	S638-D651 VanDerWaalsContact CB-OD2 3.3Å; S638-D651 WeakPolarHBondContact CB-OD2 3.3Å; S638-D651 PolarHBondContact OG-OD2 3.15Å; I646-D651 HydrophobicContact CG2-CB 4.4Å; I646-D651 PolarHBondContact O-N 3.03Å; Q649-D651 VanDerWaalsContact C-N 3.28Å; Q649-D651 PolarHBondContact O-N 3.08Å; D651-A653 PolarHBondContact O-N 2.74Å; D651-A653 WeakPolarHBondContact OD1-CB 3.48Å; D651-A653 PolarHBondContact OD1-N 3.01Å; D651-A653 VanDerWaalsContact OD1-N 3.07Å; D651-V654 HydrophobicContact CB-CB 4.27Å; D651-V654 HydrophobicContact CB-CG2 4.34Å; D651-V654 PolarHBondContact O-N 3.21Å; D651-V654 PolarHBondContact OD1-N 2.87Å; D651-Y655 WeakPolarHBondContact O-CB 3.48Å; D651-Y655 VanDerWaalsContact O-CD2 3.3Å; D651-Y655 WeakPolarHBondContact O-CD2 3.3Å; D651-Y655 PolarHBondContact O-N 3.14Å
652	E	95.5	Very high	95.2	Very high	173 Å²	173	52.4 Å²	52.4	81%	0.808	27%	0.27	S	S	*	.	H	α-helix	trans	-60	-37.8	-169.1	-67.1	-175.4	166.8	0	0	111.7	R650 Q656	R650-E652 PolarHBondContact O-N 3.2Å; E652-Q656 WeakPolarHBondContact O-CB 3.42Å; E652-Q656 PolarHBondContact O-N 3.21Å
653	A	95.4	Very high	95.2	Very high	30 Å²	30	55.6 Å²	55.6	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-68	-45.3	-178.8	0	0	0	0	0	111.6	V636 D651 A657	V636-A653 HydrophobicContact CG2-CB 4.36Å; V636-A653 WeakPolarHBondContact O-CB 3.38Å; D651-A653 PolarHBondContact O-N 2.74Å; D651-A653 WeakPolarHBondContact OD1-CB 3.48Å; D651-A653 PolarHBondContact OD1-N 3.01Å; D651-A653 VanDerWaalsContact OD1-N 3.07Å; A653-A657 WeakPolarHBondContact O-CB 3.39Å; A653-A657 PolarHBondContact O-N 3.13Å
654	V	96.1	Very high	95.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.7	-45.1	177.9	178.3	0	0	0	0	111.1	I590 V636 I646 D651 Q656 A657 I658	I590-V654 HydrophobicContact CD1-CG1 4.21Å; V636-V654 HydrophobicContact CG2-CG2 4.21Å; I646-V654 HydrophobicContact CD1-CG1 4.34Å; I646-V654 HydrophobicContact CD1-CG2 4.31Å; I646-V654 HydrophobicContact CG1-CG2 4.39Å; I646-V654 HydrophobicContact CG2-CB 4.19Å; I646-V654 HydrophobicContact CG2-CG1 3.86Å; D651-V654 HydrophobicContact CB-CB 4.27Å; D651-V654 HydrophobicContact CB-CG2 4.34Å; D651-V654 PolarHBondContact O-N 3.21Å; D651-V654 PolarHBondContact OD1-N 2.87Å; V654-Q656 VanDerWaalsContact C-N 3.34Å; V654-Q656 PolarHBondContact O-N 3.43Å; V654-A657 PolarHBondContact O-N 2.98Å; V654-I658 HydrophobicContact CG1-CD1 3.85Å; V654-I658 WeakPolarHBondContact O-CG1 3.46Å; V654-I658 PolarHBondContact O-N 3.36Å
655	Y	97.3	Very high	95	Very high	36 Å²	36	58.5 Å²	58.5	14%	0.141	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-40.6	179	-89.8	-107.1	0	0	0	112	I646 R650 D651 I658 H659 W679 I681	I646-Y655 HydrophobicContact CG2-CD2 4.48Å; I646-Y655 HydrophobicContact CG2-CE2 4.12Å; I646-Y655 WeakPolarHBondContact O-CE2 3.39Å; R650-Y655 HydrophobicContact CB-CD2 4.49Å; R650-Y655 HydrophobicContact CB-CE2 4.19Å; D651-Y655 WeakPolarHBondContact O-CB 3.48Å; D651-Y655 VanDerWaalsContact O-CD2 3.3Å; D651-Y655 WeakPolarHBondContact O-CD2 3.3Å; D651-Y655 PolarHBondContact O-N 3.14Å; Y655-I658 PolarHBondContact O-N 3.31Å; Y655-H659 WeakPolarHBondContact O-CB 3.48Å; Y655-H659 PolarHBondContact O-N 3.17Å; Y655-W679 AromaticContact CD1-CH2 3.45Å; Y655-W679 HydrophobicContact CD1-CH2 3.45Å; Y655-W679 VanDerWaalsContact CD1-CH2 3.45Å; Y655-W679 AromaticContact CD1-CZ3 3.68Å; Y655-W679 HydrophobicContact CD1-CZ3 3.68Å; Y655-W679 HydrophobicContact CE1-CH2 4.08Å; Y655-W679 AromaticContact CE1-CZ3 3.81Å; Y655-W679 HydrophobicContact CE1-CZ3 3.81Å; Y655-W679 HydrophobicContact CG-CH2 4.04Å; Y655-W679 HydrophobicContact CG-CZ3 4.44Å; Y655-W679 WeakPolarHBondContact O-CH2 3.26Å; Y655-I681 HydrophobicContact CD2-CD1 4.26Å; Y655-I681 HydrophobicContact CE1-CD1 4.36Å; Y655-I681 HydrophobicContact CE2-CD1 3.8Å
656	Q	97.1	Very high	94.7	Very high	96 Å²	96	55.3 Å²	55.3	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-44.1	176.1	-176.4	59.7	25.8	0	0	111.4	E652 V654 I658 H659 E660	E652-Q656 WeakPolarHBondContact O-CB 3.42Å; E652-Q656 PolarHBondContact O-N 3.21Å; V654-Q656 VanDerWaalsContact C-N 3.34Å; V654-Q656 PolarHBondContact O-N 3.43Å; Q656-I658 VanDerWaalsContact C-N 3.34Å; Q656-I658 PolarHBondContact O-N 2.85Å; Q656-H659 WeakPolarHBondContact O-CB 3.5Å; Q656-H659 PolarHBondContact O-N 3.23Å; Q656-E660 PolarHBondContact NE2-OE1 3.43Å; Q656-E660 WeakPolarHBondContact O-CG 3.45Å; Q656-E660 PolarHBondContact O-N 2.94Å
657	A	96.5	Very high	94.2	Very high	15 Å²	15	59.3 Å²	59.3	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-40.3	177.2	0	0	0	0	0	112.7	F632 V636 A653 V654 G661	F632-A657 HydrophobicContact CE1-CB 4.19Å; F632-A657 HydrophobicContact CZ-CB 4.01Å; V636-A657 HydrophobicContact CB-CB 4.1Å; V636-A657 HydrophobicContact CG1-CB 3.62Å; V636-A657 HydrophobicContact CG2-CB 4.45Å; A653-A657 WeakPolarHBondContact O-CB 3.39Å; A653-A657 PolarHBondContact O-N 3.13Å; V654-A657 PolarHBondContact O-N 2.98Å; A657-G661 PolarHBondContact O-N 2.96Å
658	I	97.3	Very high	93.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-43.8	174.2	-69.7	169.5	0	0	0	110.6	L588 I591 L608 V654 Y655 Q656 E660 G661 I662 W679 I681	L588-I658 HydrophobicContact CD1-CB 4.24Å; L588-I658 HydrophobicContact CD1-CG1 4.26Å; L588-I658 HydrophobicContact CD1-CG2 3.94Å; L588-I658 HydrophobicContact CD2-CG1 4.42Å; I591-I658 HydrophobicContact CD1-CD1 4.37Å; L608-I658 HydrophobicContact CD1-CG2 3.75Å; V654-I658 HydrophobicContact CG1-CD1 3.85Å; V654-I658 WeakPolarHBondContact O-CG1 3.46Å; V654-I658 PolarHBondContact O-N 3.36Å; Y655-I658 PolarHBondContact O-N 3.31Å; Q656-I658 VanDerWaalsContact C-N 3.34Å; Q656-I658 PolarHBondContact O-N 2.85Å; I658-E660 PolarHBondContact O-N 2.94Å; I658-G661 PolarHBondContact O-N 3.24Å; I658-I662 HydrophobicContact CG2-CD1 3.93Å; I658-I662 WeakPolarHBondContact O-CG1 3.46Å; I658-I662 PolarHBondContact O-N 3Å; I658-W679 HydrophobicContact CB-CH2 3.88Å; I658-W679 HydrophobicContact CB-CZ2 4.15Å; I658-W679 HydrophobicContact CB-CZ3 4.34Å; I658-W679 HydrophobicContact CG2-CD2 4.03Å; I658-W679 HydrophobicContact CG2-CE3 3.93Å; I658-W679 HydrophobicContact CG2-CH2 3.57Å; I658-W679 HydrophobicContact CG2-CZ2 3.67Å; I658-W679 HydrophobicContact CG2-CZ3 3.71Å; I658-I681 HydrophobicContact CD1-CD1 3.51Å; I658-I681 HydrophobicContact CD1-CG1 4.28Å
659	H	97.5	Very high	92.6	Very high	77 Å²	77	63.6 Å²	63.6	36%	0.356	32%	0.318	S	S	.	.	H	α-helix	trans	-56.4	-51.2	176.1	-172.4	80.7	0	0	0	111.1	Y655 Q656 G661 I662 Q663 W679	Y655-H659 WeakPolarHBondContact O-CB 3.48Å; Y655-H659 PolarHBondContact O-N 3.17Å; Q656-H659 WeakPolarHBondContact O-CB 3.5Å; Q656-H659 PolarHBondContact O-N 3.23Å; H659-G661 PolarHBondContact O-N 3.07Å; H659-I662 PolarHBondContact O-N 2.82Å; H659-Q663 PolarHBondContact NE2-NE2 2.9Å; H659-Q663 WeakPolarHBondContact O-CG 3.3Å; H659-Q663 PolarHBondContact O-N 3.44Å; H659-W679 HydrophobicContact CB-CZ2 3.99Å
660	E	97	Very high	91.5	Very high	86 Å²	86	61 Å²	61	40%	0.402	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-39.3	179.7	-70.4	174.9	-171.3	0	0	112.8	Q656 I658 Q663 R664	Q656-E660 PolarHBondContact NE2-OE1 3.43Å; Q656-E660 WeakPolarHBondContact O-CG 3.45Å; Q656-E660 PolarHBondContact O-N 2.94Å; I658-E660 PolarHBondContact O-N 2.94Å; E660-Q663 PolarHBondContact O-N 2.8Å; E660-R664 WeakPolarHBondContact O-CG 3.48Å; E660-R664 PolarHBondContact O-N 2.68Å
661	G	96.2	Very high	90.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-46.1	173.8	0	0	0	0	0	111.8	E587 A657 I658 H659 Q663 R664 V665	E587-G661 WeakPolarHBondContact CG-O 3.41Å; A657-G661 PolarHBondContact O-N 2.96Å; I658-G661 PolarHBondContact O-N 3.24Å; H659-G661 PolarHBondContact O-N 3.07Å; G661-Q663 VanDerWaalsContact C-N 3.31Å; G661-Q663 PolarHBondContact O-N 2.76Å; G661-R664 PolarHBondContact O-N 2.55Å; G661-R664 VanDerWaalsContact O-N 3.12Å; G661-V665 WeakPolarHBondContact O-CG2 3.3Å; G661-V665 PolarHBondContact O-N 2.65Å
662	I	97	Very high	89.1	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-37.4	176	-71.7	170.6	0	0	0	111.5	L588 L608 I658 H659 R664 V665 N666 I676 W679	L588-I662 HydrophobicContact CD1-CG1 4.24Å; L608-I662 HydrophobicContact CD1-CD1 4.25Å; I658-I662 HydrophobicContact CG2-CD1 3.93Å; I658-I662 WeakPolarHBondContact O-CG1 3.46Å; I658-I662 PolarHBondContact O-N 3Å; H659-I662 PolarHBondContact O-N 2.82Å; I662-R664 VanDerWaalsContact C-N 3.33Å; I662-R664 PolarHBondContact O-N 3.15Å; I662-V665 PolarHBondContact O-N 2.98Å; I662-N666 WeakPolarHBondContact O-CB 3.46Å; I662-N666 VanDerWaalsContact O-CG 3.27Å; I662-N666 PolarHBondContact O-N 3.11Å; I662-I676 HydrophobicContact CG2-CB 3.83Å; I662-I676 HydrophobicContact CG2-CD1 4.24Å; I662-I676 HydrophobicContact CG2-CG2 4.06Å; I662-W679 HydrophobicContact CD1-CB 4.14Å; I662-W679 HydrophobicContact CD1-CD2 3.98Å; I662-W679 HydrophobicContact CD1-CG 3.53Å
663	Q	96.4	Very high	87.9	Confident	92 Å²	92	57.6 Å²	57.6	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-38.4	173.6	-67.1	-60.4	-14.9	0	0	112.4	H659 E660 G661 N666 A667	H659-Q663 PolarHBondContact NE2-NE2 2.9Å; H659-Q663 WeakPolarHBondContact O-CG 3.3Å; H659-Q663 PolarHBondContact O-N 3.44Å; E660-Q663 PolarHBondContact O-N 2.8Å; G661-Q663 VanDerWaalsContact C-N 3.31Å; G661-Q663 PolarHBondContact O-N 2.76Å; Q663-N666 PolarHBondContact O-N 3Å; Q663-A667 WeakPolarHBondContact O-CB 3.17Å; Q663-A667 PolarHBondContact O-N 2.84Å
664	R	95.1	Very high	87.1	Confident	106 Å²	106	58.7 Å²	58.7	40%	0.4	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-37.9	174.7	-71.3	-171.5	-63.9	-86.6	0.2	112.3	E587 E660 G661 I662 A667 N668	E587-R664 IonicContact OE1-CZ 3.54Å; E587-R664 IonicContact OE1-NE 2.7Å; E587-R664 PolarHBondContact OE1-NE 2.75Å; E587-R664 IonicContact OE1-NH2 2.69Å; E587-R664 PolarHBondContact OE1-NH2 2.69Å; E660-R664 WeakPolarHBondContact O-CG 3.48Å; E660-R664 PolarHBondContact O-N 2.68Å; G661-R664 PolarHBondContact O-N 2.55Å; G661-R664 VanDerWaalsContact O-N 3.12Å; I662-R664 VanDerWaalsContact C-N 3.33Å; I662-R664 PolarHBondContact O-N 3.15Å; R664-A667 PolarHBondContact O-N 2.74Å; R664-N668 PolarHBondContact O-N 3.14Å; R664-N668 PolarHBondContact O-ND2 2.71Å; R664-N668 VanDerWaalsContact O-ND2 3.13Å
665	V	89.7	Confident	86.8	Confident	16 Å²	16	61.5 Å²	61.5	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-48.4	171.8	174.8	0	0	0	0	110.6	A583 V584 E587 G661 I662 A667 N668 A669	A583-V665 HydrophobicContact CB-CG1 3.9Å; A583-V665 HydrophobicContact CB-CG2 4.46Å; V584-V665 HydrophobicContact CG2-CB 4.46Å; V584-V665 HydrophobicContact CG2-CG1 4.13Å; V584-V665 HydrophobicContact CG2-CG2 4.17Å; E587-V665 HydrophobicContact CB-CG2 3.78Å; E587-V665 HydrophobicContact CG-CG2 4.03Å; G661-V665 WeakPolarHBondContact O-CG2 3.3Å; G661-V665 PolarHBondContact O-N 2.65Å; I662-V665 PolarHBondContact O-N 2.98Å; V665-A667 VanDerWaalsContact C-N 3.3Å; V665-A667 PolarHBondContact O-N 3.38Å; V665-N668 PolarHBondContact O-N 3.36Å; V665-N668 VanDerWaalsContact O-N 3.08Å; V665-A669 PolarHBondContact O-N 2.81Å
666	N	89.3	Confident	86.7	Confident	7 Å²	7	60 Å²	60	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-39.5	177.7	-72.7	-15.3	0	0	0	112.2	I662 Q663 N668 A669 H675 I676	I662-N666 WeakPolarHBondContact O-CB 3.46Å; I662-N666 VanDerWaalsContact O-CG 3.27Å; I662-N666 PolarHBondContact O-N 3.11Å; Q663-N666 PolarHBondContact O-N 3Å; N666-N668 PolarHBondContact O-N 3.34Å; N666-A669 VanDerWaalsContact O-CB 3.31Å; N666-A669 WeakPolarHBondContact O-CB 3.35Å; N666-A669 PolarHBondContact O-N 3.44Å; N666-A669 VanDerWaalsContact O-N 3.1Å; N666-H675 HydrophobicContact CB-CB 4.42Å; N666-H675 PolarHBondContact O-NE2 2.88Å; N666-H675 WeakPolarHBondContact OD1-CA 3.28Å; N666-I676 PolarHBondContact ND2-O 3.42Å; N666-I676 PolarHBondContact OD1-N 3.2Å
667	A	84.3	Confident	86.5	Confident	83 Å²	83	61 Å²	61	69%	0.686	33%	0.325	S	S	*	.	H	α-helix	trans	-63.3	-24.6	177.9	0	0	0	0	0	113.4	Q663 R664 V665	Q663-A667 WeakPolarHBondContact O-CB 3.17Å; Q663-A667 PolarHBondContact O-N 2.84Å; R664-A667 PolarHBondContact O-N 2.74Å; V665-A667 VanDerWaalsContact C-N 3.3Å; V665-A667 PolarHBondContact O-N 3.38Å
668	N	78.3	Confident	86.5	Confident	140 Å²	140	64 Å²	64	75%	0.749	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	1	177	-67.6	-42.2	0	0	0	113.2	R664 V665 N666	R664-N668 PolarHBondContact O-N 3.14Å; R664-N668 PolarHBondContact O-ND2 2.71Å; R664-N668 VanDerWaalsContact O-ND2 3.13Å; V665-N668 PolarHBondContact O-N 3.36Å; V665-N668 VanDerWaalsContact O-N 3.08Å; N666-N668 PolarHBondContact O-N 3.34Å
669	A	73.6	Confident	86.5	Confident	33 Å²	33	65.9 Å²	65.9	27%	0.273	34%	0.342	S	S	.	.			trans	-72	143.7	180	0	0	0	0	0	111.1	V665 N666 A671	V665-A669 PolarHBondContact O-N 2.81Å; N666-A669 VanDerWaalsContact O-CB 3.31Å; N666-A669 WeakPolarHBondContact O-CB 3.35Å; N666-A669 PolarHBondContact O-N 3.44Å; N666-A669 VanDerWaalsContact O-N 3.1Å; A669-A671 VanDerWaalsContact C-N 3.26Å; A669-A671 PolarHBondContact O-N 2.92Å
670	A	64.8	Low	86.5	Confident	94 Å²	94	63.1 Å²	63.1	78%	0.777	33%	0.333	S	S	*	.	S	Bend	trans	-62.7	-31.7	-177.6	0	0	0	0	0	113.4	Y674	A670-Y674 HydrophobicContact CB-CD2 4.3Å; A670-Y674 HydrophobicContact CB-CE2 4.25Å
671	A	65.3	Low	86.5	Confident	39 Å²	39	59.4 Å²	59.4	32%	0.322	32%	0.316	S	S	.	.	S	Bend	trans	-149.5	153.7	-177.9	0	0	0	0	0	112.1	A669 P673 Y674	A669-A671 VanDerWaalsContact C-N 3.26Å; A669-A671 PolarHBondContact O-N 2.92Å; A671-P673 VanDerWaalsContact C-N 3.34Å; A671-Y674 WeakPolarHBondContact O-CB 3.39Å; A671-Y674 PolarHBondContact O-N 2.79Å
672	R	70.7	Confident	86.5	Confident	208 Å²	208	59.6 Å²	59.6	79%	0.785	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-54.3	-37.4	179.3	-171.6	178.1	179.1	179.8	0.4	114.7	Y674 H675	R672-Y674 PolarHBondContact O-N 3.42Å; R672-H675 WeakPolarHBondContact O-CB 3.41Å; R672-H675 PolarHBondContact O-CD2 3.19Å; R672-H675 PolarHBondContact O-N 2.72Å; R672-H675 VanDerWaalsContact O-N 3.1Å
673	P	70.4	Confident	86.4	Confident	50 Å²	50	65.9 Å²	65.9	33%	0.325	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-60.8	-20.9	176	-25.6	36.7	0	0	0	114.1	E573 L604 A671 H675	E573-P673 HydrophobicContact CB-CB 4.15Å; E573-P673 HydrophobicContact CG-CB 3.86Å; E573-P673 HydrophobicContact CG-CG 3.85Å; L604-P673 VanDerWaalsContact CD1-O 3.3Å; L604-P673 WeakPolarHBondContact CD1-O 3.47Å; L604-P673 WeakPolarHBondContact CG-O 3.41Å; A671-P673 VanDerWaalsContact C-N 3.34Å; P673-H675 PolarHBondContact O-N 3.36Å
674	Y	79.3	Confident	86.2	Confident	52 Å²	52	66.7 Å²	66.7	20%	0.204	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-84.1	1	178.9	-58.3	-9	0	0	0	112.8	V575 I580 A670 A671 R672 I676	V575-Y674 HydrophobicContact CB-CD1 4.38Å; V575-Y674 HydrophobicContact CB-CE1 4.38Å; V575-Y674 HydrophobicContact CG1-CD1 3.98Å; V575-Y674 HydrophobicContact CG1-CE1 4.33Å; V575-Y674 HydrophobicContact CG2-CD1 3.73Å; V575-Y674 HydrophobicContact CG2-CE1 3.76Å; I580-Y674 HydrophobicContact CD1-CG 4.47Å; A670-Y674 HydrophobicContact CB-CD2 4.3Å; A670-Y674 HydrophobicContact CB-CE2 4.25Å; A671-Y674 WeakPolarHBondContact O-CB 3.39Å; A671-Y674 PolarHBondContact O-N 2.79Å; R672-Y674 PolarHBondContact O-N 3.42Å; Y674-I676 PolarHBondContact O-N 2.94Å
675	H	89.7	Confident	86.1	Confident	60 Å²	60	62.5 Å²	62.5	28%	0.278	33%	0.33	S	S	.	.			trans	-73.6	127.3	178.6	-70.5	-158.4	0	0	0	111.5	N666 R672 P673 Q677	N666-H675 HydrophobicContact CB-CB 4.42Å; N666-H675 PolarHBondContact O-NE2 2.88Å; N666-H675 WeakPolarHBondContact OD1-CA 3.28Å; R672-H675 WeakPolarHBondContact O-CB 3.41Å; R672-H675 PolarHBondContact O-CD2 3.19Å; R672-H675 PolarHBondContact O-N 2.72Å; R672-H675 VanDerWaalsContact O-N 3.1Å; P673-H675 PolarHBondContact O-N 3.36Å; H675-Q677 PolarHBondContact O-N 2.87Å
676	I	94.6	Very high	86.2	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.9	168.7	-54.7	159.2	0	0	0	107.8	I580 V584 L596 M606 I662 N666 Y674	I580-I676 HydrophobicContact CG2-CD1 3.75Å; I580-I676 HydrophobicContact CG2-CG1 4.05Å; V584-I676 HydrophobicContact CG2-CD1 3.56Å; L596-I676 HydrophobicContact CD1-CG1 3.95Å; M606-I676 HydrophobicContact CB-CG2 4.01Å; M606-I676 HydrophobicContact CE-CD1 3.54Å; M606-I676 HydrophobicContact CE-CG1 4.23Å; M606-I676 HydrophobicContact SD-CD1 4.11Å; I662-I676 HydrophobicContact CG2-CB 3.83Å; I662-I676 HydrophobicContact CG2-CD1 4.24Å; I662-I676 HydrophobicContact CG2-CG2 4.06Å; N666-I676 PolarHBondContact ND2-O 3.42Å; N666-I676 PolarHBondContact OD1-N 3.2Å; Y674-I676 PolarHBondContact O-N 2.94Å
677	Q	94	Very high	86.1	Confident	119 Å²	119	62.2 Å²	62.2	56%	0.556	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	-30.9	-179.2	-65	-169.7	22.5	0	0	113.3	F603 L604 H675	F603-Q677 HydrophobicContact CB-CB 4.2Å; F603-Q677 HydrophobicContact CB-CG 3.85Å; F603-Q677 VanDerWaalsContact CB-NE2 3.25Å; F603-Q677 HydrophobicContact CD2-CB 3.73Å; F603-Q677 HydrophobicContact CD2-CG 4.34Å; F603-Q677 HydrophobicContact CE2-CB 4.34Å; F603-Q677 HydrophobicContact CG-CB 4.05Å; F603-Q677 HydrophobicContact CG-CG 4.2Å; L604-Q677 PolarHBondContact O-N 3.45Å; H675-Q677 PolarHBondContact O-N 2.87Å
678	K	96.3	Very high	85.9	Confident	77 Å²	77	62.3 Å²	62.3	34%	0.335	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.4	-178.7	-65.7	-168.8	179.9	-176.4	0	111.3	F603 S605 M606 F715	F603-K678 HydrophobicContact CE2-CB 4.18Å; F603-K678 HydrophobicContact CE2-CD 3.85Å; F603-K678 HydrophobicContact CE2-CG 3.86Å; F603-K678 HydrophobicContact CZ-CD 3.87Å; F603-K678 HydrophobicContact CZ-CG 4.3Å; S605-K678 CarbonylContact C-O 3.59Å; S605-K678 WeakPolarHBondContact CA-O 3.5Å; S605-K678 WeakPolarHBondContact CB-O 3.47Å; M606-K678 PolarHBondContact N-O 3.05Å; K678-F715 HydrophobicContact CB-CB 4.24Å; K678-F715 HydrophobicContact CB-CD1 3.76Å; K678-F715 HydrophobicContact CB-CE1 4.32Å; K678-F715 HydrophobicContact CB-CG 4.09Å; K678-F715 HydrophobicContact CD-CB 3.94Å; K678-F715 HydrophobicContact CD-CD1 4.2Å; K678-F715 HydrophobicContact CD-CG 4.47Å; K678-F715 VanDerWaalsContact CD-O 3.24Å; K678-F715 WeakPolarHBondContact CD-O 3.37Å; K678-F715 WeakPolarHBondContact CE-O 3.26Å; K678-F715 PolarHBondContact NZ-O 3.29Å
679	W	97.4	Very high	86.2	Confident	39 Å²	39	59.5 Å²	59.5	15%	0.148	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	160.2	177.4	51.9	-93.5	0	0	0	110.9	M606 L608 Y655 I658 H659 I662 I681	M606-W679 HydrophobicContact CB-CB 4.16Å; M606-W679 CarbonylContact O-C 3.43Å; M606-W679 WeakPolarHBondContact O-CA 3.31Å; M606-W679 WeakPolarHBondContact O-CB 3.29Å; L608-W679 HydrophobicContact CD1-CB 4.35Å; L608-W679 HydrophobicContact CD1-CD2 4.32Å; L608-W679 HydrophobicContact CD1-CE3 3.99Å; L608-W679 HydrophobicContact CD1-CG 4.5Å; Y655-W679 AromaticContact CD1-CH2 3.45Å; Y655-W679 HydrophobicContact CD1-CH2 3.45Å; Y655-W679 VanDerWaalsContact CD1-CH2 3.45Å; Y655-W679 AromaticContact CD1-CZ3 3.68Å; Y655-W679 HydrophobicContact CD1-CZ3 3.68Å; Y655-W679 HydrophobicContact CE1-CH2 4.08Å; Y655-W679 AromaticContact CE1-CZ3 3.81Å; Y655-W679 HydrophobicContact CE1-CZ3 3.81Å; Y655-W679 HydrophobicContact CG-CH2 4.04Å; Y655-W679 HydrophobicContact CG-CZ3 4.44Å; Y655-W679 WeakPolarHBondContact O-CH2 3.26Å; I658-W679 HydrophobicContact CB-CH2 3.88Å; I658-W679 HydrophobicContact CB-CZ2 4.15Å; I658-W679 HydrophobicContact CB-CZ3 4.34Å; I658-W679 HydrophobicContact CG2-CD2 4.03Å; I658-W679 HydrophobicContact CG2-CE3 3.93Å; I658-W679 HydrophobicContact CG2-CH2 3.57Å; I658-W679 HydrophobicContact CG2-CZ2 3.67Å; I658-W679 HydrophobicContact CG2-CZ3 3.71Å; H659-W679 HydrophobicContact CB-CZ2 3.99Å; I662-W679 HydrophobicContact CD1-CB 4.14Å; I662-W679 HydrophobicContact CD1-CD2 3.98Å; I662-W679 HydrophobicContact CD1-CG 3.53Å; W679-I681 HydrophobicContact CE3-CG1 4.28Å; W679-I681 HydrophobicContact CZ3-CD1 4.04Å; W679-I681 HydrophobicContact CZ3-CG1 3.91Å
680	A	97	Very high	86.8	Confident	19 Å²	19	58.8 Å²	58.8	16%	0.157	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.9	173.5	0	0	0	0	0	110.5	M606 L607 L608 I711 F715	M606-A680 PolarHBondContact O-N 3.3Å; L607-A680 HydrophobicContact CD2-CB 4.39Å; L608-A680 PolarHBondContact N-O 3.36Å; A680-I711 HydrophobicContact CB-CG2 3.66Å; A680-F715 HydrophobicContact CB-CE1 3.82Å; A680-F715 HydrophobicContact CB-CZ 3.47Å; A680-F715 VanDerWaalsContact CB-CZ 3.47Å
681	I	97.4	Very high	87.7	Confident	9 Å²	9	55.3 Å²	55.3	5%	0.046	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.2	172.8	-55	171.1	0	0	0	107.9	L608 L610 I646 V647 Y655 I658 W679	L608-I681 HydrophobicContact CB-CG1 4.45Å; L608-I681 CarbonylContact O-C 3.47Å; L608-I681 WeakPolarHBondContact O-CA 2.82Å; L610-I681 HydrophobicContact CD1-CG2 4.02Å; L610-I681 HydrophobicContact CD2-CG2 3.93Å; L610-I681 HydrophobicContact CG-CG2 3.72Å; I646-I681 HydrophobicContact CG2-CD1 4.3Å; V647-I681 HydrophobicContact CG2-CB 4.11Å; V647-I681 HydrophobicContact CG2-CG2 3.68Å; Y655-I681 HydrophobicContact CD2-CD1 4.26Å; Y655-I681 HydrophobicContact CE1-CD1 4.36Å; Y655-I681 HydrophobicContact CE2-CD1 3.8Å; I658-I681 HydrophobicContact CD1-CD1 3.51Å; I658-I681 HydrophobicContact CD1-CG1 4.28Å; W679-I681 HydrophobicContact CE3-CG1 4.28Å; W679-I681 HydrophobicContact CZ3-CD1 4.04Å; W679-I681 HydrophobicContact CZ3-CG1 3.91Å
682	L	96.5	Very high	89	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	26%	0.262	C	S	.	.			trans	-83.7	147.9	175.7	-57.6	179.2	0	0	0	110.4	L607 L608 T609 R684 F686 Y708 I711	L607-L682 HydrophobicContact CB-CD1 4.13Å; L607-L682 HydrophobicContact CB-CG 4.37Å; L607-L682 HydrophobicContact CD1-CD1 4.34Å; L607-L682 HydrophobicContact CD2-CD2 4.08Å; L608-L682 PolarHBondContact O-N 3Å; T609-L682 HydrophobicContact CG2-CB 4.22Å; T609-L682 HydrophobicContact CG2-CD1 4.04Å; L682-R684 PolarHBondContact O-N 3.15Å; L682-F686 HydrophobicContact CD1-CE1 3.55Å; L682-F686 HydrophobicContact CD1-CZ 4.1Å; L682-Y708 HydrophobicContact CD1-CD1 4.34Å; L682-Y708 HydrophobicContact CD1-CD2 4.06Å; L682-Y708 HydrophobicContact CD1-CE1 4.02Å; L682-Y708 HydrophobicContact CD1-CE2 3.73Å; L682-Y708 HydrophobicContact CD1-CG 4.34Å; L682-Y708 HydrophobicContact CD2-CD1 3.61Å; L682-Y708 HydrophobicContact CD2-CE1 3.74Å; L682-Y708 HydrophobicContact CD2-CG 4.05Å; L682-Y708 HydrophobicContact CG-CE1 4.35Å; L682-I711 HydrophobicContact CD2-CD1 3.64Å
683	Q	93.6	Very high	89.5	Confident	135 Å²	135	44.4 Å²	44.4	63%	0.631	23%	0.229	S	C	*	.	S	Bend	trans	-70.8	-15.7	-178.9	-71	-175.4	-10.2	0	0	114.3	V643 V647	V643-Q683 WeakPolarHBondContact CG1-O 3.39Å; V647-Q683 HydrophobicContact CB-CG 4.36Å; V647-Q683 HydrophobicContact CG1-CG 3.85Å
684	R	92.3	Very high	89.8	Confident	108 Å²	108	42.1 Å²	42.1	41%	0.408	22%	0.215	S	C	.	.	S	Bend	trans	-139.2	143.3	-177	-167.9	177.6	173.4	169.6	-4.5	109.6	E620 P621 L682	E620-R684 IonicContact OE2-CZ 3.65Å; E620-R684 IonicContact OE2-NH2 2.77Å; E620-R684 PolarHBondContact OE2-NH2 3.42Å; P621-R684 HydrophobicContact CB-CG 4.2Å; L682-R684 PolarHBondContact O-N 3.15Å
685	D	93.4	Very high	89.2	Confident	18 Å²	18	42.5 Å²	42.5	10%	0.096	22%	0.224	C	C	.	.			trans	-70.6	159.5	171.4	-159.8	10.1	0	0	0	111.6	S592 S593 T609 P621	S592-D685 VanDerWaalsContact CB-OD2 3.28Å; S592-D685 WeakPolarHBondContact CB-OD2 3.16Å; S592-D685 PolarHBondContact OG-OD1 3.37Å; S592-D685 PolarHBondContact OG-OD2 2.99Å; S593-D685 PolarHBondContact OG-OD1 2.96Å; T609-D685 VanDerWaalsContact CB-OD1 3.24Å; T609-D685 WeakPolarHBondContact CB-OD1 3.49Å; T609-D685 PolarHBondContact OG1-OD1 2.82Å; P621-D685 HydrophobicContact CB-CB 3.84Å; P621-D685 HydrophobicContact CG-CB 3.92Å
686	F	92.2	Very high	88.1	Confident	10 Å²	10	41.1 Å²	41.1	4%	0.044	22%	0.219	C	C	.	.			trans	-67.8	135.6	178.1	-65.2	-19.9	0	0	0	110.8	S593 M595 T609 L682 E692 L693 L699 V704 Y708	S593-F686 VanDerWaalsContact CB-CD2 3.46Å; M595-F686 HydrophobicContact CB-CE2 4.4Å; M595-F686 HydrophobicContact CB-CZ 4.45Å; T609-F686 HydrophobicContact CG2-CD1 3.9Å; T609-F686 HydrophobicContact CG2-CE1 3.86Å; T609-F686 HydrophobicContact CG2-CG 4.32Å; T609-F686 HydrophobicContact CG2-CZ 4.22Å; L682-F686 HydrophobicContact CD1-CE1 3.55Å; L682-F686 HydrophobicContact CD1-CZ 4.1Å; F686-E692 HydrophobicContact CB-CB 3.73Å; F686-E692 HydrophobicContact CB-CG 4.39Å; F686-E692 HydrophobicContact CD1-CB 3.71Å; F686-E692 HydrophobicContact CD1-CG 3.58Å; F686-E692 HydrophobicContact CE1-CB 4.44Å; F686-E692 HydrophobicContact CE1-CG 4.12Å; F686-E692 HydrophobicContact CG-CB 3.74Å; F686-E692 HydrophobicContact CG-CG 4.16Å; F686-L693 HydrophobicContact CB-CD1 4.31Å; F686-L693 HydrophobicContact CB-CD2 4.04Å; F686-L693 HydrophobicContact CB-CG 3.97Å; F686-L699 HydrophobicContact CD2-CD1 3.49Å; F686-L699 VanDerWaalsContact CD2-CD1 3.49Å; F686-L699 HydrophobicContact CE2-CD1 3.56Å; F686-L699 HydrophobicContact CG-CD1 4.35Å; F686-L699 HydrophobicContact CZ-CD1 4.45Å; F686-V704 HydrophobicContact CE1-CG1 4.02Å; F686-V704 HydrophobicContact CE1-CG2 4.49Å; F686-V704 HydrophobicContact CZ-CG1 3.8Å; F686-V704 HydrophobicContact CZ-CG2 4.42Å; F686-Y708 HydrophobicContact CE1-CE2 4.14Å
687	S	87.9	Confident	87	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.049	24%	0.236	C	C	.	.			trans	-139.5	168.2	178.4	84.8	0	0	0	0	112.6	E620 S689 G690 G691 E692 L693	E620-S687 WeakPolarHBondContact OE2-CB 3.37Å; E620-S687 PolarHBondContact OE2-OG 3.17Å; S687-S689 PolarHBondContact OG-OG 3.37Å; S687-G690 PolarHBondContact OG-N 2.89Å; S687-G691 PolarHBondContact O-N 3.24Å; S687-E692 PolarHBondContact N-OE2 3.12Å; S687-E692 PolarHBondContact O-N 2.82Å; S687-L693 PolarHBondContact O-N 2.96Å
688	I	79.1	Confident	86	Confident	85 Å²	85	42.7 Å²	42.7	44%	0.436	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-43.9	175.3	-61.5	176.3	0	0	0	109.8	G690 G691 L693 M697	I688-G690 VanDerWaalsContact C-N 3.35Å; I688-G691 PolarHBondContact O-N 2.89Å; I688-L693 HydrophobicContact CG1-CB 4.16Å; I688-M697 HydrophobicContact CD1-SD 3.75Å; I688-M697 HydrophobicContact CG1-SD 4.02Å
689	S	84.5	Confident	85.4	Confident	82 Å²	82	41.3 Å²	41.3	57%	0.573	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.5	-179.9	77.4	0	0	0	0	113	E620 S687 G691	E620-S689 WeakPolarHBondContact OE1-CB 3.34Å; E620-S689 PolarHBondContact OE1-OG 3.36Å; E620-S689 PolarHBondContact OE2-OG 2.97Å; S687-S689 PolarHBondContact OG-OG 3.37Å; S689-G691 PolarHBondContact O-N 3.31Å
690	G	85.6	Confident	84.7	Confident	18 Å²	18	43.5 Å²	43.5	19%	0.186	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15	172.9	0	0	0	0	0	113.3	S687 I688 E692 K707	S687-G690 PolarHBondContact OG-N 2.89Å; I688-G690 VanDerWaalsContact C-N 3.35Å; G690-E692 VanDerWaalsContact C-N 3.34Å; G690-E692 WeakPolarHBondContact CA-OE2 3.45Å; G690-K707 PolarHBondContact O-NZ 3.45Å
691	G	85.5	Confident	84.3	Confident	20 Å²	20	43.7 Å²	43.7	21%	0.206	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-5.8	177.1	0	0	0	0	0	114.5	S687 I688 S689 K700 T703	S687-G691 PolarHBondContact O-N 3.24Å; I688-G691 PolarHBondContact O-N 2.89Å; S689-G691 PolarHBondContact O-N 3.31Å; G691-K700 WeakPolarHBondContact O-CD 3.39Å; G691-T703 WeakPolarHBondContact O-CG2 3.29Å
692	E	91.2	Very high	83.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-73.8	-28.1	179.4	-54.9	91.5	167.2	0	0	112.2	F686 S687 G690 K700 V704 K707 Y708	F686-E692 HydrophobicContact CB-CB 3.73Å; F686-E692 HydrophobicContact CB-CG 4.39Å; F686-E692 HydrophobicContact CD1-CB 3.71Å; F686-E692 HydrophobicContact CD1-CG 3.58Å; F686-E692 HydrophobicContact CE1-CB 4.44Å; F686-E692 HydrophobicContact CE1-CG 4.12Å; F686-E692 HydrophobicContact CG-CB 3.74Å; F686-E692 HydrophobicContact CG-CG 4.16Å; S687-E692 PolarHBondContact N-OE2 3.12Å; S687-E692 PolarHBondContact O-N 2.82Å; G690-E692 VanDerWaalsContact C-N 3.34Å; G690-E692 WeakPolarHBondContact CA-OE2 3.45Å; E692-K700 PolarHBondContact O-N 3.41Å; E692-V704 HydrophobicContact CB-CG2 3.68Å; E692-V704 HydrophobicContact CG-CG2 3.79Å; E692-K707 HydrophobicContact CG-CD 4.47Å; E692-K707 WeakPolarHBondContact OE1-CE 3.35Å; E692-K707 IonicContact OE1-NZ 3.44Å; E692-K707 PolarHBondContact OE1-NZ 3.49Å; E692-K707 IonicContact OE2-NZ 3.82Å; E692-Y708 HydrophobicContact CG-CE2 4.38Å; E692-Y708 PolarHBondContact OE1-OH 3.08Å
693	L	82.1	Confident	83.3	Confident	18 Å²	18	50.8 Å²	50.8	9%	0.094	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-111.3	145.6	177.4	-55	-178.8	0	0	0	112	F686 S687 I688 M697 K698 L699	F686-L693 HydrophobicContact CB-CD1 4.31Å; F686-L693 HydrophobicContact CB-CD2 4.04Å; F686-L693 HydrophobicContact CB-CG 3.97Å; S687-L693 PolarHBondContact O-N 2.96Å; I688-L693 HydrophobicContact CG1-CB 4.16Å; L693-M697 HydrophobicContact CD1-CE 3.69Å; L693-M697 HydrophobicContact CD1-SD 4.32Å; L693-K698 CarbonylContact C-O 3.44Å; L693-K698 WeakPolarHBondContact CA-O 3.48Å; L693-L699 HydrophobicContact CD2-CB 4.47Å; L693-L699 HydrophobicContact CD2-CD1 4.19Å
694	G	76.4	Confident	83.3	Confident	3 Å²	3	44.3 Å²	44.3	3%	0.031	24%	0.239	C	C	.	.			trans	-81.6	171.1	168	0	0	0	0	0	113.1	T696 M697 K698	G694-T696 PolarHBondContact O-N 3.39Å; G694-M697 WeakPolarHBondContact O-CA 3.31Å; G694-M697 PolarHBondContact O-N 3.21Å; G694-K698 PolarHBondContact N-O 3.06Å
695	P	67.5	Low	83.2	Confident	60 Å²	60	42.1 Å²	42.1	39%	0.39	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.2	178.1	-25.3	34.7	0	0	0	114.6	M697	P695-M697 VanDerWaalsContact C-N 3.34Å
696	T	65.6	Low	83.1	Confident	31 Å²	31	48.7 Å²	48.7	19%	0.19	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	13.3	175	53.6	0	0	0	0	113.4	G694 K698	G694-T696 PolarHBondContact O-N 3.39Å; T696-K698 PolarHBondContact O-N 3.38Å
697	M	71.2	Confident	83.2	Confident	72 Å²	72	53 Å²	53	36%	0.355	28%	0.284	S	S	.	.	S	Bend	trans	64.9	13.3	-176.3	-57.3	-65.1	-69.5	0	0	115.4	R374 I688 L693 G694 P695	R374-M697 HydrophobicContact CB-CE 4.47Å; R374-M697 HydrophobicContact CG-CE 4.11Å; I688-M697 HydrophobicContact CD1-SD 3.75Å; I688-M697 HydrophobicContact CG1-SD 4.02Å; L693-M697 HydrophobicContact CD1-CE 3.69Å; L693-M697 HydrophobicContact CD1-SD 4.32Å; G694-M697 WeakPolarHBondContact O-CA 3.31Å; G694-M697 PolarHBondContact O-N 3.21Å; P695-M697 VanDerWaalsContact C-N 3.34Å
698	K	74.1	Confident	83.6	Confident	83 Å²	83	54.2 Å²	54.2	36%	0.361	29%	0.287	S	S	.	.			trans	-74.6	137.2	173.6	-68	-174	176.9	-174.9	0	111.4	A449 L693 G694 T696	A449-K698 WeakPolarHBondContact O-CE 3.32Å; L693-K698 CarbonylContact C-O 3.44Å; L693-K698 WeakPolarHBondContact CA-O 3.48Å; G694-K698 PolarHBondContact N-O 3.06Å; T696-K698 PolarHBondContact O-N 3.38Å
699	L	83	Confident	84.2	Confident	47 Å²	47	55.7 Å²	55.7	25%	0.246	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-66	129.7	175	-176.7	65.7	0	0	0	111.5	M595 F686 L693 R701 V704	M595-L699 HydrophobicContact CB-CD2 4.41Å; M595-L699 HydrophobicContact CG-CD2 4.22Å; M595-L699 HydrophobicContact SD-CD2 4.12Å; F686-L699 HydrophobicContact CD2-CD1 3.49Å; F686-L699 VanDerWaalsContact CD2-CD1 3.49Å; F686-L699 HydrophobicContact CE2-CD1 3.56Å; F686-L699 HydrophobicContact CG-CD1 4.35Å; F686-L699 HydrophobicContact CZ-CD1 4.45Å; L693-L699 HydrophobicContact CD2-CB 4.47Å; L693-L699 HydrophobicContact CD2-CD1 4.19Å; L699-R701 HydrophobicContact CD2-CG 3.91Å; L699-R701 HydrophobicContact CG-CG 4.18Å; L699-R701 PolarHBondContact O-N 3.1Å; L699-V704 HydrophobicContact CD1-CG2 3.91Å
700	K	82.4	Confident	84.7	Confident	85 Å²	85	58.4 Å²	58.4	37%	0.37	30%	0.299	S	S	.	.			trans	-95.4	77	172.8	-67.7	178.2	177.7	170.5	0	110.1	G691 E692 L702 T703 V704	G691-K700 WeakPolarHBondContact O-CD 3.39Å; E692-K700 PolarHBondContact O-N 3.41Å; K700-L702 VanDerWaalsContact C-N 3.3Å; K700-L702 PolarHBondContact O-N 3.09Å; K700-T703 WeakPolarHBondContact O-CB 3.23Å; K700-T703 PolarHBondContact O-N 3.48Å; K700-V704 PolarHBondContact O-N 3.29Å
701	R	88.6	Confident	85.1	Confident	23 Å²	23	60.3 Å²	60.3	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-49.4	-45.8	-175.2	-70.6	-169.8	-176.5	-94.1	-9.3	114	E565 E581 M595 L596 L699 T703 V704 L705	E565-R701 WeakPolarHBondContact OE2-CD 3.41Å; E565-R701 IonicContact OE2-CZ 3.52Å; E565-R701 IonicContact OE2-NE 2.62Å; E565-R701 PolarHBondContact OE2-NE 2.9Å; E565-R701 IonicContact OE2-NH2 3.7Å; E581-R701 IonicContact OE1-CZ 3.44Å; E581-R701 VanDerWaalsContact OE1-CZ 3.22Å; E581-R701 IonicContact OE1-NH1 3.29Å; E581-R701 PolarHBondContact OE1-NH1 3.42Å; E581-R701 IonicContact OE1-NH2 3.98Å; E581-R701 PolarHBondContact OE1-NH2 3.14Å; E581-R701 IonicContact OE2-CZ 3.49Å; E581-R701 IonicContact OE2-NH2 2.62Å; E581-R701 PolarHBondContact OE2-NH2 3.42Å; M595-R701 HydrophobicContact CE-CB 3.69Å; M595-R701 HydrophobicContact CE-CG 3.86Å; M595-R701 HydrophobicContact SD-CG 4.37Å; L596-R701 PolarHBondContact O-NH1 3.01Å; L699-R701 HydrophobicContact CD2-CG 3.91Å; L699-R701 HydrophobicContact CG-CG 4.18Å; L699-R701 PolarHBondContact O-N 3.1Å; R701-T703 VanDerWaalsContact C-N 3.33Å; R701-T703 PolarHBondContact O-N 3.45Å; R701-V704 PolarHBondContact O-N 3.02Å; R701-V704 VanDerWaalsContact O-N 3.14Å; R701-L705 WeakPolarHBondContact O-CG 3.42Å; R701-L705 PolarHBondContact O-N 3.45Å
702	L	85.6	Confident	85.5	Confident	105 Å²	105	59.7 Å²	59.7	55%	0.55	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-42.9	179.9	-65.2	177.3	0	0	0	112.3	T283 K700 V704 L705 E706	T283-L702 HydrophobicContact CG2-CD1 4.35Å; K700-L702 VanDerWaalsContact C-N 3.3Å; K700-L702 PolarHBondContact O-N 3.09Å; L702-V704 VanDerWaalsContact C-N 3.32Å; L702-V704 PolarHBondContact O-N 3.05Å; L702-L705 HydrophobicContact CD2-CD1 4.38Å; L702-L705 PolarHBondContact O-N 2.91Å; L702-E706 PolarHBondContact O-N 3.14Å
703	T	88.3	Confident	85.5	Confident	56 Å²	56	61.7 Å²	61.7	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-39.2	175.8	-53.4	0	0	0	0	111.3	G691 K700 R701 E706 K707	G691-T703 WeakPolarHBondContact O-CG2 3.29Å; K700-T703 WeakPolarHBondContact O-CB 3.23Å; K700-T703 PolarHBondContact O-N 3.48Å; R701-T703 VanDerWaalsContact C-N 3.33Å; R701-T703 PolarHBondContact O-N 3.45Å; T703-E706 PolarHBondContact O-N 2.96Å; T703-K707 WeakPolarHBondContact O-CB 3.38Å; T703-K707 PolarHBondContact O-N 3.41Å
704	V	92.8	Very high	86.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.2	-41.8	176.4	-177.5	0	0	0	0	111.5	M595 L607 F686 E692 L699 K700 R701 L702 E706 K707 Y708	M595-V704 HydrophobicContact CE-CB 4.23Å; M595-V704 HydrophobicContact CE-CG1 4.36Å; M595-V704 HydrophobicContact SD-CB 3.64Å; M595-V704 HydrophobicContact SD-CG1 3.39Å; M595-V704 WeakPolarHBondContact SD-CG1 3.35Å; M595-V704 HydrophobicContact SD-CG2 4.31Å; L607-V704 HydrophobicContact CD1-CG1 4.12Å; F686-V704 HydrophobicContact CE1-CG1 4.02Å; F686-V704 HydrophobicContact CE1-CG2 4.49Å; F686-V704 HydrophobicContact CZ-CG1 3.8Å; F686-V704 HydrophobicContact CZ-CG2 4.42Å; E692-V704 HydrophobicContact CB-CG2 3.68Å; E692-V704 HydrophobicContact CG-CG2 3.79Å; L699-V704 HydrophobicContact CD1-CG2 3.91Å; K700-V704 PolarHBondContact O-N 3.29Å; R701-V704 PolarHBondContact O-N 3.02Å; R701-V704 VanDerWaalsContact O-N 3.14Å; L702-V704 VanDerWaalsContact C-N 3.32Å; L702-V704 PolarHBondContact O-N 3.05Å; V704-E706 VanDerWaalsContact C-N 3.31Å; V704-E706 PolarHBondContact O-N 3.19Å; V704-K707 PolarHBondContact O-N 3.46Å; V704-Y708 HydrophobicContact CG1-CD2 3.61Å; V704-Y708 HydrophobicContact CG1-CE2 3.99Å; V704-Y708 WeakPolarHBondContact O-CD2 3.41Å; V704-Y708 PolarHBondContact O-N 3.32Å
705	L	90.3	Very high	86.8	Confident	62 Å²	62	64 Å²	64	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-41.6	175.3	-72.3	174.2	0	0	0	111.8	M595 I597 R701 L702 K709 I712	M595-L705 HydrophobicContact CE-CD2 3.86Å; M595-L705 HydrophobicContact CE-CG 3.78Å; I597-L705 HydrophobicContact CG1-CD2 4.04Å; I597-L705 HydrophobicContact CG2-CD2 4.3Å; R701-L705 WeakPolarHBondContact O-CG 3.42Å; R701-L705 PolarHBondContact O-N 3.45Å; L702-L705 HydrophobicContact CD2-CD1 4.38Å; L702-L705 PolarHBondContact O-N 2.91Å; L705-K709 WeakPolarHBondContact O-CA 3.42Å; L705-K709 PolarHBondContact O-N 3.24Å; L705-I712 HydrophobicContact CD2-CD1 3.73Å
706	E	90.7	Very high	87.7	Confident	156 Å²	156	63 Å²	63	73%	0.729	31%	0.311	S	S	*	.	H	α-helix	trans	-69.9	-48	177	-174.6	173.7	-162.8	0	0	111.6	L702 T703 V704 Y708 K709	L702-E706 PolarHBondContact O-N 3.14Å; T703-E706 PolarHBondContact O-N 2.96Å; V704-E706 VanDerWaalsContact C-N 3.31Å; V704-E706 PolarHBondContact O-N 3.19Å; E706-Y708 VanDerWaalsContact C-N 3.35Å; E706-Y708 PolarHBondContact O-N 3.04Å; E706-K709 WeakPolarHBondContact O-CB 3.34Å; E706-K709 PolarHBondContact O-N 3.22Å
707	K	94.6	Very high	88.6	Confident	100 Å²	100	67.8 Å²	67.8	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-62.5	-37.8	-177.5	-174.6	173.9	-173.6	176.6	0	113.3	G690 E692 T703 V704	G690-K707 PolarHBondContact O-NZ 3.45Å; E692-K707 HydrophobicContact CG-CD 4.47Å; E692-K707 WeakPolarHBondContact OE1-CE 3.35Å; E692-K707 IonicContact OE1-NZ 3.44Å; E692-K707 PolarHBondContact OE1-NZ 3.49Å; E692-K707 IonicContact OE2-NZ 3.82Å; T703-K707 WeakPolarHBondContact O-CB 3.38Å; T703-K707 PolarHBondContact O-N 3.41Å; V704-K707 PolarHBondContact O-N 3.46Å
708	Y	95.6	Very high	88.1	Confident	33 Å²	33	71.6 Å²	71.6	13%	0.129	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	22.6	-177.6	-60.1	-72.7	0	0	0	113	L607 L682 F686 E692 V704 E706 D710 I711 I712	L607-Y708 HydrophobicContact CD1-CD2 4.17Å; L607-Y708 HydrophobicContact CD1-CG 4.2Å; L682-Y708 HydrophobicContact CD1-CD1 4.34Å; L682-Y708 HydrophobicContact CD1-CD2 4.06Å; L682-Y708 HydrophobicContact CD1-CE1 4.02Å; L682-Y708 HydrophobicContact CD1-CE2 3.73Å; L682-Y708 HydrophobicContact CD1-CG 4.34Å; L682-Y708 HydrophobicContact CD2-CD1 3.61Å; L682-Y708 HydrophobicContact CD2-CE1 3.74Å; L682-Y708 HydrophobicContact CD2-CG 4.05Å; L682-Y708 HydrophobicContact CG-CE1 4.35Å; F686-Y708 HydrophobicContact CE1-CE2 4.14Å; E692-Y708 HydrophobicContact CG-CE2 4.38Å; E692-Y708 PolarHBondContact OE1-OH 3.08Å; V704-Y708 HydrophobicContact CG1-CD2 3.61Å; V704-Y708 HydrophobicContact CG1-CE2 3.99Å; V704-Y708 WeakPolarHBondContact O-CD2 3.41Å; V704-Y708 PolarHBondContact O-N 3.32Å; E706-Y708 VanDerWaalsContact C-N 3.35Å; E706-Y708 PolarHBondContact O-N 3.04Å; Y708-D710 PolarHBondContact O-N 2.95Å; Y708-D710 VanDerWaalsContact O-N 3.16Å; Y708-I711 HydrophobicContact CD1-CD1 3.93Å; Y708-I711 PolarHBondContact O-N 3.41Å; Y708-I712 VanDerWaalsContact O-CG1 3.31Å; Y708-I712 WeakPolarHBondContact O-CG1 3.27Å; Y708-I712 PolarHBondContact O-N 3.32Å
709	K	93.2	Very high	86.9	Confident	115 Å²	115	76 Å²	76	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-48.7	-44.6	-177.4	-175	-173.3	175.6	71.4	0	112.9	L705 E706 I711 I712 D713	L705-K709 WeakPolarHBondContact O-CA 3.42Å; L705-K709 PolarHBondContact O-N 3.24Å; E706-K709 WeakPolarHBondContact O-CB 3.34Å; E706-K709 PolarHBondContact O-N 3.22Å; K709-I711 PolarHBondContact O-N 2.94Å; K709-I712 PolarHBondContact O-N 2.98Å; K709-D713 WeakPolarHBondContact CE-OD2 3.39Å; K709-D713 WeakPolarHBondContact CG-OD2 3.43Å; K709-D713 IonicContact NZ-OD2 3.08Å; K709-D713 WeakPolarHBondContact O-CB 3.41Å; K709-D713 PolarHBondContact O-N 3.49Å
710	D	94.3	Very high	84.8	Confident	139 Å²	139	83.3 Å²	83.3	74%	0.743	40%	0.4	S	S	*	.	H	α-helix	trans	-63	-42.3	-178.1	-63.6	-27.3	0	0	0	112.6	Y708 I712 S714	Y708-D710 PolarHBondContact O-N 2.95Å; Y708-D710 VanDerWaalsContact O-N 3.16Å; D710-I712 VanDerWaalsContact C-N 3.34Å; D710-S714 WeakPolarHBondContact O-CB 3.49Å; D710-S714 PolarHBondContact O-N 3.24Å; D710-S714 VanDerWaalsContact O-N 3.08Å
711	I	94.2	Very high	82.4	Confident	59 Å²	59	91.6 Å²	91.6	30%	0.303	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-44.4	176.1	-59.1	178.7	0	0	0	109.4	L607 A680 L682 Y708 K709 S714 F715	L607-I711 HydrophobicContact CD2-CG2 3.88Å; A680-I711 HydrophobicContact CB-CG2 3.66Å; L682-I711 HydrophobicContact CD2-CD1 3.64Å; Y708-I711 HydrophobicContact CD1-CD1 3.93Å; Y708-I711 PolarHBondContact O-N 3.41Å; K709-I711 PolarHBondContact O-N 2.94Å; I711-S714 WeakPolarHBondContact O-CB 3.28Å; I711-S714 PolarHBondContact O-N 3.48Å; I711-S714 PolarHBondContact O-OG 3.03Å; I711-F715 HydrophobicContact CG2-CE2 4.46Å; I711-F715 HydrophobicContact CG2-CZ 4.11Å; I711-F715 PolarHBondContact O-N 2.66Å
712	I	92.6	Very high	82.1	Confident	6 Å²	6	95.1 Å²	95.1	3%	0.031	46%	0.458	C	S	.	.	H	α-helix	trans	-63.9	-48.7	-178.9	-63.7	170.4	0	0	0	110.7	I597 L607 L705 Y708 K709 D710 S714 F715 Y716	I597-I712 HydrophobicContact CD1-CD1 3.84Å; I597-I712 HydrophobicContact CD1-CG1 3.66Å; I597-I712 HydrophobicContact CD1-CG2 4.38Å; I597-I712 HydrophobicContact CG2-CG2 3.98Å; L607-I712 HydrophobicContact CD1-CD1 4.16Å; L607-I712 HydrophobicContact CD1-CG1 4.18Å; L607-I712 HydrophobicContact CD2-CG1 4.47Å; L705-I712 HydrophobicContact CD2-CD1 3.73Å; Y708-I712 VanDerWaalsContact O-CG1 3.31Å; Y708-I712 WeakPolarHBondContact O-CG1 3.27Å; Y708-I712 PolarHBondContact O-N 3.32Å; K709-I712 PolarHBondContact O-N 2.98Å; D710-I712 VanDerWaalsContact C-N 3.34Å; I712-S714 PolarHBondContact O-N 3.46Å; I712-F715 VanDerWaalsContact O-CB 3.31Å; I712-F715 WeakPolarHBondContact O-CB 3.24Å; I712-F715 PolarHBondContact O-N 3.29Å; I712-Y716 HydrophobicContact CG2-CD2 4.42Å; I712-Y716 HydrophobicContact CG2-CE2 4.04Å; I712-Y716 WeakPolarHBondContact O-CD2 3.49Å
713	D	92.2	Very high	81.9	Confident	42 Å²	42	94.5 Å²	94.5	23%	0.225	45%	0.453	C	S	.	.	H	α-helix	trans	-63.4	-32.8	-179.7	-75.6	-22.2	0	0	0	110.8	R601 K709 F715 Y716 Q717	R601-D713 IonicContact CZ-OD1 3.97Å; R601-D713 IonicContact NH2-OD1 3.95Å; R601-D713 PolarHBondContact NH2-OD1 3.19Å; K709-D713 WeakPolarHBondContact CE-OD2 3.39Å; K709-D713 WeakPolarHBondContact CG-OD2 3.43Å; K709-D713 IonicContact NZ-OD2 3.08Å; K709-D713 WeakPolarHBondContact O-CB 3.41Å; K709-D713 PolarHBondContact O-N 3.49Å; D713-F715 PolarHBondContact O-N 3.45Å; D713-Y716 CarbonylContact O-C 3.55Å; D713-Y716 PolarHBondContact O-N 3.12Å; D713-Q717 WeakPolarHBondContact O-CG 3.45Å; D713-Q717 PolarHBondContact O-N 2.97Å
714	S	94	Very high	81.6	Confident	58 Å²	58	96.7 Å²	96.7	41%	0.406	46%	0.459	S	S	.	.	H	α-helix	trans	-59.6	-28.4	173.5	86.1	0	0	0	0	113.8	D710 I711 I712 Y716	D710-S714 WeakPolarHBondContact O-CB 3.49Å; D710-S714 PolarHBondContact O-N 3.24Å; D710-S714 VanDerWaalsContact O-N 3.08Å; I711-S714 WeakPolarHBondContact O-CB 3.28Å; I711-S714 PolarHBondContact O-N 3.48Å; I711-S714 PolarHBondContact O-OG 3.03Å; I712-S714 PolarHBondContact O-N 3.46Å; S714-Y716 VanDerWaalsContact C-N 3.27Å; S714-Y716 PolarHBondContact O-N 3.41Å
715	F	91.6	Very high	80.9	Confident	13 Å²	13	102.4 Å²	102.4	6%	0.057	49%	0.486	C	S	.	.	H	α-helix	trans	-65.3	-34.3	173.3	-60.6	-41.2	0	0	0	111.5	F603 S605 L607 K678 A680 I711 I712 D713	F603-F715 WeakPolarHBondContact CZ-O 3.37Å; S605-F715 VanDerWaalsContact CB-CD2 3.47Å; S605-F715 VanDerWaalsContact OG-CD2 3.29Å; S605-F715 WeakPolarHBondContact OG-CD2 3.28Å; L607-F715 HydrophobicContact CD2-CE2 4Å; L607-F715 HydrophobicContact CD2-CZ 4.18Å; K678-F715 HydrophobicContact CB-CB 4.24Å; K678-F715 HydrophobicContact CB-CD1 3.76Å; K678-F715 HydrophobicContact CB-CE1 4.32Å; K678-F715 HydrophobicContact CB-CG 4.09Å; K678-F715 HydrophobicContact CD-CB 3.94Å; K678-F715 HydrophobicContact CD-CD1 4.2Å; K678-F715 HydrophobicContact CD-CG 4.47Å; K678-F715 VanDerWaalsContact CD-O 3.24Å; K678-F715 WeakPolarHBondContact CD-O 3.37Å; K678-F715 WeakPolarHBondContact CE-O 3.26Å; K678-F715 PolarHBondContact NZ-O 3.29Å; A680-F715 HydrophobicContact CB-CE1 3.82Å; A680-F715 HydrophobicContact CB-CZ 3.47Å; A680-F715 VanDerWaalsContact CB-CZ 3.47Å; I711-F715 HydrophobicContact CG2-CE2 4.46Å; I711-F715 HydrophobicContact CG2-CZ 4.11Å; I711-F715 PolarHBondContact O-N 2.66Å; I712-F715 VanDerWaalsContact O-CB 3.31Å; I712-F715 WeakPolarHBondContact O-CB 3.24Å; I712-F715 PolarHBondContact O-N 3.29Å; D713-F715 PolarHBondContact O-N 3.45Å
716	Y	86.2	Confident	80.3	Confident	39 Å²	39	104.9 Å²	104.9	15%	0.153	50%	0.496	C	S	.	.	H	α-helix	trans	-104.7	-1	-170.5	-56.6	-73	0	0	0	114.1	I597 R601 F603 S605 I712 D713 S714 E718	I597-Y716 HydrophobicContact CG2-CE2 4.44Å; R601-Y716 HydrophobicContact CB-CD1 3.99Å; R601-Y716 HydrophobicContact CB-CE1 3.42Å; R601-Y716 VanDerWaalsContact CB-CE1 3.42Å; R601-Y716 HydrophobicContact CB-CE2 4.44Å; R601-Y716 HydrophobicContact CG-CD1 4.2Å; R601-Y716 HydrophobicContact CG-CD2 4.26Å; R601-Y716 HydrophobicContact CG-CE1 3.74Å; R601-Y716 HydrophobicContact CG-CE2 3.83Å; R601-Y716 HydrophobicContact CG-CG 4.44Å; F603-Y716 HydrophobicContact CD2-CD1 4.47Å; F603-Y716 AromaticContact CD2-CE1 3.76Å; F603-Y716 HydrophobicContact CD2-CE1 3.76Å; F603-Y716 HydrophobicContact CE1-CD1 4.11Å; F603-Y716 HydrophobicContact CE1-CE1 4.31Å; F603-Y716 AromaticContact CE2-CD1 3.88Å; F603-Y716 HydrophobicContact CE2-CD1 3.88Å; F603-Y716 AromaticContact CE2-CE1 3.47Å; F603-Y716 HydrophobicContact CE2-CE1 3.47Å; F603-Y716 VanDerWaalsContact CE2-CE1 3.47Å; F603-Y716 HydrophobicContact CG-CE1 4.3Å; F603-Y716 AromaticContact CZ-CD1 3.68Å; F603-Y716 HydrophobicContact CZ-CD1 3.68Å; F603-Y716 AromaticContact CZ-CE1 3.78Å; F603-Y716 HydrophobicContact CZ-CE1 3.78Å; F603-Y716 WeakPolarHBondContact O-CE1 3.24Å; F603-Y716 PolarHBondContact O-OH 3.42Å; S605-Y716 WeakPolarHBondContact CB-OH 3.48Å; S605-Y716 PolarHBondContact OG-OH 3.4Å; I712-Y716 HydrophobicContact CG2-CD2 4.42Å; I712-Y716 HydrophobicContact CG2-CE2 4.04Å; I712-Y716 WeakPolarHBondContact O-CD2 3.49Å; D713-Y716 CarbonylContact O-C 3.55Å; D713-Y716 PolarHBondContact O-N 3.12Å; S714-Y716 VanDerWaalsContact C-N 3.27Å; S714-Y716 PolarHBondContact O-N 3.41Å; Y716-E718 PolarHBondContact O-N 3.08Å
717	Q	85.5	Confident	79.7	Confident	131 Å²	131	101.5 Å²	101.5	61%	0.612	48%	0.48	S	S	*	.	S	Bend	trans	-63.3	123.5	168.5	-74.8	175.7	9.7	0	0	109.5	D713 Q719	D713-Q717 WeakPolarHBondContact O-CG 3.45Å; D713-Q717 PolarHBondContact O-N 2.97Å; Q717-Q719 PolarHBondContact O-N 2.82Å
718	E	61.1	Low	78.6	Confident	151 Å²	151	101.6 Å²	101.6	71%	0.706	48%	0.484	S	S	*	.			trans	-62.6	119.4	169	-75.2	178.9	177.4	0	0	107.6	K602 Y716 K720	K602-E718 IonicContact NZ-OE1 3.84Å; K602-E718 PolarHBondContact NZ-OE1 3.06Å; Y716-E718 PolarHBondContact O-N 3.08Å; E718-K720 VanDerWaalsContact C-N 3.29Å; E718-K720 PolarHBondContact O-N 3.42Å
719	Q	48.4	Very low	77.3	Confident	176 Å²	176	106.8 Å²	106.8	82%	0.822	51%	0.511	S	S	*	.			trans	-59.6	104.1	159.8	-82.3	-177.4	-19.5	0	0	105.4	Q717 Q721	Q717-Q719 PolarHBondContact O-N 2.82Å; Q719-Q721 VanDerWaalsContact C-N 3.25Å; Q719-Q721 PolarHBondContact O-N 2.96Å
720	K	38	Very low	76	Confident	201 Å²	201	106.2 Å²	106.2	87%	0.874	51%	0.512	S	S	*	.			trans	-57.5	102.5	157.4	-77.4	-177	175.6	179.9	0	105	E718	E718-K720 VanDerWaalsContact C-N 3.29Å; E718-K720 PolarHBondContact O-N 3.42Å
721	Q	33.5	Very low	74.3	Confident	259 Å²	259	103.2 Å²	103.2	100%	1.21	49%	0.491	S	S	*	.			trans	-57.9	0	169.5	-83.5	-175.7	-19.1	0	0	110.1	Q719	Q719-Q721 VanDerWaalsContact C-N 3.25Å; Q719-Q721 PolarHBondContact O-N 2.96Å

Retrieved 721 of 721 residues in 1622.8 ms (Link to these results)

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