G4VJG1_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession G4VJG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 747 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	31.9	Very low	250 Å²	250	162.4 Å²	162.4	100%	1.232	83%	0.831	S	S	*	*				0	95.2	0	-67.9	-178.7	-166.2	0	0	108.2
2	S	35.8	Very low	31.9	Very low	119 Å²	119	158.8 Å²	158.8	83%	0.832	83%	0.831	S	S	*	*			trans	-171.3	115.7	159.8	-174.2	0	0	0	0	106.8	R4	S2-R4 PolarHBondContact O-N 3.32Å
3	S	35.2	Very low	31.6	Very low	101 Å²	101	161.8 Å²	161.8	71%	0.706	83%	0.833	S	S	*	*			trans	-70.5	118	-173.4	46	0	0	0	0	111.2	H5	S3-H5 PolarHBondContact O-N 3.08Å
4	R	31.9	Very low	31.8	Very low	232 Å²	232	159.5 Å²	159.5	88%	0.875	83%	0.834	S	S	*	*			trans	-70.6	103.6	167.4	-74.5	-180	173.8	178	-3.6	109.1	S2 R6	S2-R4 PolarHBondContact O-N 3.32Å; R4-R6 PolarHBondContact O-N 3.47Å
5	H	34.5	Very low	31.8	Very low	178 Å²	178	165.9 Å²	165.9	82%	0.824	84%	0.843	S	S	*	*			trans	-77.5	114.4	163.6	-92	-47.8	0	0	0	109.3	S3	S3-H5 PolarHBondContact O-N 3.08Å
6	R	29.4	Very low	31.6	Very low	232 Å²	232	171.3 Å²	171.3	88%	0.875	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-80.1	130.5	170.8	-139.4	176.7	-173.4	172.7	0.8	107.4	R4	R4-R6 PolarHBondContact O-N 3.47Å
7	I	33.1	Very low	31.8	Very low	129 Å²	129	167.9 Å²	167.9	66%	0.662	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-78.3	119.5	171.9	-62.6	171.4	0	0	0	107.2	I9	I7-I9 HydrophobicContact CG2-CG1 4.42Å
8	D	28.8	Very low	31.6	Very low	162 Å²	162	171.8 Å²	171.8	87%	0.866	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-70.4	125.8	173.7	-84	-36.7	0	0	0	110.3
9	I	33.9	Very low	31.9	Very low	124 Å²	124	173.1 Å²	173.1	64%	0.636	85%	0.85	S	S	*	*			trans	-122.8	118	174.3	-58.7	178	0	0	0	107.9	I7 F261	I7-I9 HydrophobicContact CG2-CG1 4.42Å; I9-F261 HydrophobicContact CD1-CD1 4.09Å; I9-F261 HydrophobicContact CD1-CE1 4.29Å
10	G	29.8	Very low	32.2	Very low	74 Å²	74	169.6 Å²	169.6	76%	0.763	84%	0.843	S	S	*	*			trans	-76.8	133.6	179	0	0	0	0	0	113.1
11	E	27.8	Very low	32.1	Very low	185 Å²	185	169.9 Å²	169.9	86%	0.864	85%	0.848	S	S	*	*			trans	-77.4	130.1	175.8	-69.4	-175.1	158.6	0	0	112
12	S	32.5	Very low	32.5	Very low	119 Å²	119	161.5 Å²	161.5	83%	0.832	83%	0.825	S	S	*	*			trans	-129.9	126	160.8	64.2	0	0	0	0	110.8
13	K	28.4	Very low	32.5	Very low	198 Å²	198	162.2 Å²	162.2	86%	0.861	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-90.2	140.2	-178.8	-70.3	176.9	177.2	173.5	0	111.1
14	P	33.9	Very low	32.5	Very low	130 Å²	130	161 Å²	161	84%	0.844	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-99.3	138.4	166.1	33.1	-25.4	0	0	0	113.1
15	R	31.8	Very low	32.8	Very low	256 Å²	256	157.6 Å²	157.6	97%	0.966	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.9	143.3	178	-75.9	175.1	163.4	179.1	-4.9	112.1
16	R	28.9	Very low	32.8	Very low	252 Å²	252	157.3 Å²	157.3	95%	0.951	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-88.5	135.7	167.1	-84.6	178.8	165.9	174.4	-4.8	111.1
17	S	34.8	Very low	33.2	Very low	114 Å²	114	151.4 Å²	151.4	80%	0.797	82%	0.823	S	S	*	*			trans	-110.4	130.7	164.6	55.3	0	0	0	0	111.1
18	R	28.6	Very low	33.4	Very low	238 Å²	238	156.3 Å²	156.3	90%	0.898	83%	0.833	S	S	*	*			trans	-103.7	139.9	170.6	-74.6	177.7	176.3	172.4	-1.9	109.1
19	F	37.7	Very low	33.8	Very low	195 Å²	195	155.7 Å²	155.7	86%	0.855	83%	0.83	S	S	*	*			trans	-149.5	104.9	156.2	-84.7	-81.2	0	0	0	105.5
20	S	36.7	Very low	33.8	Very low	104 Å²	104	161 Å²	161	73%	0.727	84%	0.842	S	S	*	*				84.6	107.4	72.5	72.6	0	0	0	0	113.2
21	D	31.4	Very low	34.3	Very low	175 Å²	175	163.5 Å²	163.5	94%	0.936	85%	0.848	S	S	*	*			trans	-65.9	154.6	171.7	-68.1	-52.1	0	0	0	113.6
22	G	37	Very low	34.5	Very low	74 Å²	74	166.3 Å²	166.3	76%	0.763	85%	0.85	S	S	*	*			trans	-146.6	132.1	163.5	0	0	0	0	0	111
23	P	35.8	Very low	35.1	Very low	135 Å²	135	166.4 Å²	166.4	88%	0.877	85%	0.851	S	S	*	*			trans	-108.4	163.6	-174.3	38.9	-31.7	0	0	0	115.1
24	G	35.4	Very low	35.6	Very low	76 Å²	76	162.6 Å²	162.6	78%	0.784	85%	0.847	S	S	*	*			trans	101.2	139	167.7	0	0	0	0	0	113.5
25	N	38.2	Very low	35.6	Very low	159 Å²	159	162.9 Å²	162.9	85%	0.85	84%	0.841	S	S	*	*			cis	-163	162	37	-150.4	-2.9	0	0	0	112.9
26	H	35.1	Very low	35.9	Very low	173 Å²	173	158.6 Å²	158.6	80%	0.801	84%	0.837	S	S	*	*			trans	-67.5	150.8	178.7	-75.4	-78.7	0	0	0	115.2
27	S	38.3	Very low	36	Very low	107 Å²	107	154 Å²	154	75%	0.748	83%	0.826	S	S	*	*				163	135.3	106.8	48.6	0	0	0	0	114.9
28	R	35.8	Very low	36.2	Very low	232 Å²	232	155 Å²	155	88%	0.875	83%	0.827	S	S	*	*			trans	45.6	133.5	143.4	-59.5	179.4	-179.3	173.9	0.5	118.5
29	D	39.2	Very low	36.4	Very low	150 Å²	150	152.6 Å²	152.6	80%	0.802	82%	0.824	S	S	*	*				-168.2	167.8	61.4	-128.3	-29.6	0	0	0	114.7
30	R	32.5	Very low	36.1	Very low	235 Å²	235	148.5 Å²	148.5	89%	0.887	82%	0.816	S	S	*	*			trans	-83.5	150.1	-172.1	-63.8	166.7	167.4	175.5	-3.7	114.2
31	S	40.6	Very low	36	Very low	126 Å²	126	153.7 Å²	153.7	88%	0.881	83%	0.826	S	S	*	*			trans	-161	146.5	136.4	57.5	0	0	0	0	112.7
32	R	32.3	Very low	35.9	Very low	245 Å²	245	153.6 Å²	153.6	93%	0.925	82%	0.82	S	S	*	*			trans	-92.3	153.7	-169.1	-71.9	168.8	163.5	170	-7.1	112.1
33	S	45.5	Very low	35.5	Very low	121 Å²	121	157.7 Å²	157.7	85%	0.846	82%	0.824	S	S	*	*			trans	-161	155.8	142.9	-82.8	0	0	0	0	111.8
34	P	38.7	Very low	35.3	Very low	118 Å²	118	156.2 Å²	156.2	77%	0.766	82%	0.823	S	S	*	*			trans	-106.9	160.1	-145.6	38.5	-30.9	0	0	0	116.2
35	D	33	Very low	35.2	Very low	135 Å²	135	156.7 Å²	156.7	72%	0.722	82%	0.815	S	S	*	*			trans	13.2	115.8	156.1	-80.7	-45.2	0	0	0	119.8
36	N	38.5	Very low	35	Very low	166 Å²	166	157.3 Å²	157.3	89%	0.888	82%	0.818	S	S	*	*			trans	-141.8	105.8	135.9	-130.3	-8.5	0	0	0	110.1	V38	N36-V38 PolarHBondContact O-N 3.32Å
37	Q	31.7	Very low	35.3	Very low	155 Å²	155	157 Å²	157	72%	0.724	82%	0.815	S	S	*	*			trans	-73.4	109.6	-175.9	-69.2	179.6	8.2	0	0	111.1
38	V	38.1	Very low	35.7	Very low	135 Å²	135	155 Å²	155	82%	0.818	80%	0.801	S	S	*	*			trans	-118.9	103.6	153.9	-178.7	0	0	0	0	106.6	N36 P40	N36-V38 PolarHBondContact O-N 3.32Å; V38-P40 VanDerWaalsContact O-CD 3.31Å; V38-P40 WeakPolarHBondContact O-CD 3.23Å
39	K	32.8	Very low	36.8	Very low	189 Å²	189	147.6 Å²	147.6	82%	0.822	78%	0.782	S	S	*	*			trans	-57.2	118.5	-179.8	-71.4	178.7	177	177	0	110.4
40	P	32.1	Very low	38	Very low	108 Å²	108	144.3 Å²	144.3	70%	0.701	76%	0.761	S	S	*	*			trans	-77.4	131.3	163.3	31.1	-27.2	0	0	0	107.8	V38 Q42	V38-P40 VanDerWaalsContact O-CD 3.31Å; V38-P40 WeakPolarHBondContact O-CD 3.23Å; P40-Q42 PolarHBondContact O-N 3.44Å
41	K	33.5	Very low	39.2	Very low	213 Å²	213	135.9 Å²	135.9	93%	0.926	74%	0.742	S	S	*	*			trans	-56.8	99.9	169.9	-81.1	178.1	175.9	176.9	0	108.8
42	Q	28.9	Very low	40.4	Very low	173 Å²	173	132.5 Å²	132.5	81%	0.808	72%	0.721	S	S	*	*			trans	-66.9	134	162.9	-74.8	177.2	-12.7	0	0	108.6	P40	P40-Q42 PolarHBondContact O-N 3.44Å
43	N	28.7	Very low	42.6	Very low	161 Å²	161	128.3 Å²	128.3	86%	0.861	71%	0.712	S	S	*	*			trans	112.5	71.1	172.1	-61	-15.6	0	0	0	115.5
44	A	31.8	Very low	44.7	Very low	103 Å²	103	126.2 Å²	126.2	85%	0.851	69%	0.694	S	S	*	*			trans	-115.9	85.6	143.2	0	0	0	0	0	107.7
45	S	34.6	Very low	47.2	Very low	86 Å²	86	120.6 Å²	120.6	60%	0.601	66%	0.658	S	S	*	*			trans	-46.8	142.6	169.5	53.8	0	0	0	0	112	K47	S45-K47 PolarHBondContact O-N 2.79Å
46	N	34	Very low	49.8	Very low	173 Å²	173	119.1 Å²	119.1	93%	0.925	66%	0.655	S	S	*	*			trans	-45.3	77.2	162.4	-88.2	-17	0	0	0	112.6
47	K	40.3	Very low	52.2	Low	167 Å²	167	114.7 Å²	114.7	73%	0.726	63%	0.627	S	S	*	*			trans	-77.3	123.6	167.5	-77.2	-175.5	178.3	-179.9	0	106.7	S45 A51	S45-K47 PolarHBondContact O-N 2.79Å; K47-A51 HydrophobicContact CB-CB 4.38Å
48	S	47.7	Very low	55	Low	65 Å²	65	109.2 Å²	109.2	46%	0.455	60%	0.603	S	S	.	*			trans	-41.5	132.7	166.7	159.9	0	0	0	0	109.3	F50 A51	S48-F50 PolarHBondContact O-N 2.61Å; S48-F50 WeakPolarHBondContact OG-CB 3.29Å; S48-F50 PolarHBondContact OG-N 3.5Å; S48-A51 WeakPolarHBondContact O-CB 3.42Å; S48-A51 PolarHBondContact O-N 3Å
49	P	58.4	Low	57.4	Low	75 Å²	75	105.5 Å²	105.5	49%	0.487	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	-11.1	177.4	22.7	-31.7	0	0	0	112.7	L70 I74	P49-L70 HydrophobicContact CB-CD2 4.46Å; P49-I74 HydrophobicContact CG-CD1 4.27Å
50	F	63.9	Low	60.2	Low	81 Å²	81	103.4 Å²	103.4	36%	0.355	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.3	1.3	174.1	-59.2	-86.4	0	0	0	114.2	S48 F67 L70 R71 I74	S48-F50 PolarHBondContact O-N 2.61Å; S48-F50 WeakPolarHBondContact OG-CB 3.29Å; S48-F50 PolarHBondContact OG-N 3.5Å; F50-F67 AromaticContact CD1-CD1 3.61Å; F50-F67 HydrophobicContact CD1-CD1 3.61Å; F50-F67 HydrophobicContact CD1-CE1 4.13Å; F50-F67 HydrophobicContact CE1-CD1 4.1Å; F50-L70 HydrophobicContact CD1-CD2 4.32Å; F50-L70 HydrophobicContact CE1-CD2 3.98Å; F50-L70 HydrophobicContact CE1-CG 4.4Å; F50-L70 HydrophobicContact CZ-CD2 4.23Å; F50-L70 HydrophobicContact CZ-CG 4.38Å; F50-R71 HydrophobicContact CE1-CG 3.99Å; F50-R71 HydrophobicContact CZ-CG 3.84Å; F50-I74 HydrophobicContact CE2-CD1 4.41Å; F50-I74 HydrophobicContact CZ-CD1 4.39Å
51	A	58.3	Low	63.1	Low	59 Å²	59	102.6 Å²	102.6	49%	0.488	58%	0.579	S	S	.	*			trans	-84.9	-20	-174.9	0	0	0	0	0	114.3	K47 S48	K47-A51 HydrophobicContact CB-CB 4.38Å; S48-A51 WeakPolarHBondContact O-CB 3.42Å; S48-A51 PolarHBondContact O-N 3Å
52	A	66.9	Low	65.9	Low	54 Å²	54	93.8 Å²	93.8	45%	0.446	54%	0.541	S	S	.	.			trans	-81.7	120.4	176.5	0	0	0	0	0	110	F62	A52-F62 HydrophobicContact CB-CE2 4.27Å; A52-F62 WeakPolarHBondContact O-CD2 3.21Å
53	Q	77.7	Confident	69	Low	157 Å²	157	87.5 Å²	87.5	73%	0.734	52%	0.516	S	S	*	.			trans	-89.4	-22.5	176.5	-68.5	-168.2	-1	0	0	113.2	S61 F62	Q53-S61 CarbonylContact O-C 3.59Å; Q53-S61 VanDerWaalsContact O-CA 3.23Å; Q53-S61 WeakPolarHBondContact O-CA 3.46Å; Q53-F62 PolarHBondContact O-N 3.19Å
54	T	88.6	Confident	72.1	Confident	78 Å²	78	84 Å²	84	48%	0.479	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-112	133.2	-175.4	-47.6	0	0	0	0	110.8	G59 K60 F62	T54-G59 VanDerWaalsContact CG2-O 3.3Å; T54-G59 WeakPolarHBondContact CG2-O 3.38Å; T54-K60 CarbonylContact C-O 3.59Å; T54-K60 WeakPolarHBondContact CA-O 3.42Å; T54-F62 WeakPolarHBondContact O-CE2 3.3Å
55	N	91	Very high	75	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	49%	0.49	C	S	.	.			trans	-71.6	119.6	175	-176.1	-26.1	0	0	0	110	Y57 N58 G59 K60 F62 M148 D149	N55-Y57 PolarHBondContact O-N 2.76Å; N55-Y57 WeakPolarHBondContact OD1-CD2 3.35Å; N55-Y57 PolarHBondContact OD1-N 2.85Å; N55-N58 VanDerWaalsContact CB-OD1 3.32Å; N55-N58 WeakPolarHBondContact CB-OD1 3.38Å; N55-G59 WeakPolarHBondContact O-CA 3.38Å; N55-G59 PolarHBondContact O-N 2.91Å; N55-K60 WeakPolarHBondContact CB-O 3.44Å; N55-K60 PolarHBondContact N-O 2.93Å; N55-F62 VanDerWaalsContact CA-CZ 3.48Å; N55-F62 HydrophobicContact CB-CD1 3.86Å; N55-F62 HydrophobicContact CB-CE1 3.54Å; N55-F62 HydrophobicContact CB-CE2 4.36Å; N55-F62 HydrophobicContact CB-CG 4.4Å; N55-F62 HydrophobicContact CB-CZ 3.84Å; N55-M148 PolarHBondContact ND2-O 3.01Å; N55-D149 PolarHBondContact ND2-O 3.42Å
56	P	88.8	Confident	77.8	Confident	103 Å²	103	81.2 Å²	81.2	67%	0.669	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.2	-174.7	28.2	-35.6	0	0	0	113.7
57	Y	88.3	Confident	80.6	Confident	73 Å²	73	75.1 Å²	75.1	29%	0.286	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-32.7	-174	-56.4	-68.7	0	0	0	113.5	N55 L114 M148	N55-Y57 PolarHBondContact O-N 2.76Å; N55-Y57 WeakPolarHBondContact OD1-CD2 3.35Å; N55-Y57 PolarHBondContact OD1-N 2.85Å; Y57-L114 HydrophobicContact CE1-CD2 3.84Å; Y57-L114 HydrophobicContact CE1-CG 4.23Å; Y57-M148 HydrophobicContact CD2-CE 3.75Å; Y57-M148 HydrophobicContact CE1-CE 4.41Å; Y57-M148 HydrophobicContact CE2-CE 3.47Å; Y57-M148 VanDerWaalsContact CE2-CE 3.47Å; Y57-M148 HydrophobicContact CG-CE 4.33Å
58	N	89.9	Confident	83.1	Confident	41 Å²	41	71.6 Å²	71.6	22%	0.219	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-2.8	-177.4	67.6	20.9	0	0	0	114.2	N55 K60 D149	N55-N58 VanDerWaalsContact CB-OD1 3.32Å; N55-N58 WeakPolarHBondContact CB-OD1 3.38Å; N58-K60 PolarHBondContact O-N 3.21Å; N58-K60 WeakPolarHBondContact OD1-CB 3.49Å; N58-K60 PolarHBondContact OD1-N 3.19Å; N58-D149 PolarHBondContact ND2-O 2.93Å
59	G	89.3	Confident	85.2	Confident	57 Å²	57	69 Å²	69	59%	0.588	40%	0.399	S	S	*	.			trans	71.5	3.5	178	0	0	0	0	0	115.5	T54 N55	T54-G59 VanDerWaalsContact CG2-O 3.3Å; T54-G59 WeakPolarHBondContact CG2-O 3.38Å; N55-G59 WeakPolarHBondContact O-CA 3.38Å; N55-G59 PolarHBondContact O-N 2.91Å
60	K	92.1	Very high	86.8	Confident	144 Å²	144	65.6 Å²	65.6	63%	0.626	38%	0.377	S	S	*	.	S	Bend	trans	-87.6	159.4	179.2	-60.8	179.3	-179.6	177.1	0	110.9	T54 N55 N58	T54-K60 CarbonylContact C-O 3.59Å; T54-K60 WeakPolarHBondContact CA-O 3.42Å; N55-K60 WeakPolarHBondContact CB-O 3.44Å; N55-K60 PolarHBondContact N-O 2.93Å; N58-K60 PolarHBondContact O-N 3.21Å; N58-K60 WeakPolarHBondContact OD1-CB 3.49Å; N58-K60 PolarHBondContact OD1-N 3.19Å
61	S	92.3	Very high	88.2	Confident	91 Å²	91	69 Å²	69	64%	0.636	39%	0.388	S	S	*	.	B	Isolated β-bridge	trans	-67.8	140.4	170.2	-58.5	0	0	0	0	110.9	Q53	Q53-S61 CarbonylContact O-C 3.59Å; Q53-S61 VanDerWaalsContact O-CA 3.23Å; Q53-S61 WeakPolarHBondContact O-CA 3.46Å
62	F	93.4	Very high	89.6	Confident	28 Å²	28	71.8 Å²	71.8	12%	0.123	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-62.2	137.1	177.3	-76.9	-65.2	0	0	0	111.8	A52 Q53 T54 N55 Y66 F67 D149	A52-F62 HydrophobicContact CB-CE2 4.27Å; A52-F62 WeakPolarHBondContact O-CD2 3.21Å; Q53-F62 PolarHBondContact O-N 3.19Å; T54-F62 WeakPolarHBondContact O-CE2 3.3Å; N55-F62 VanDerWaalsContact CA-CZ 3.48Å; N55-F62 HydrophobicContact CB-CD1 3.86Å; N55-F62 HydrophobicContact CB-CE1 3.54Å; N55-F62 HydrophobicContact CB-CE2 4.36Å; N55-F62 HydrophobicContact CB-CG 4.4Å; N55-F62 HydrophobicContact CB-CZ 3.84Å; F62-Y66 HydrophobicContact CB-CD1 3.77Å; F62-Y66 HydrophobicContact CB-CE1 4.35Å; F62-Y66 HydrophobicContact CB-CG 4.23Å; F62-Y66 AromaticContact CD1-CD1 3.54Å; F62-Y66 HydrophobicContact CD1-CD1 3.54Å; F62-Y66 AromaticContact CD1-CD2 3.74Å; F62-Y66 HydrophobicContact CD1-CD2 3.74Å; F62-Y66 AromaticContact CD1-CE1 3.71Å; F62-Y66 HydrophobicContact CD1-CE1 3.71Å; F62-Y66 AromaticContact CD1-CE2 3.88Å; F62-Y66 HydrophobicContact CD1-CE2 3.88Å; F62-Y66 AromaticContact CD1-CG 3.56Å; F62-Y66 HydrophobicContact CD1-CG 3.56Å; F62-Y66 AromaticContact CD1-CZ 3.87Å; F62-Y66 HydrophobicContact CD2-CD1 4.4Å; F62-Y66 HydrophobicContact CD2-CE1 4.14Å; F62-Y66 HydrophobicContact CE1-CD1 4.17Å; F62-Y66 AromaticContact CE1-CD2 3.9Å; F62-Y66 HydrophobicContact CE1-CD2 3.9Å; F62-Y66 AromaticContact CE1-CE1 3.91Å; F62-Y66 HydrophobicContact CE1-CE1 3.91Å; F62-Y66 AromaticContact CE1-CE2 3.6Å; F62-Y66 HydrophobicContact CE1-CE2 3.6Å; F62-Y66 HydrophobicContact CE1-CG 4.17Å; F62-Y66 AromaticContact CE1-CZ 3.6Å; F62-Y66 HydrophobicContact CE2-CE1 4.32Å; F62-Y66 AromaticContact CG-CD1 3.67Å; F62-Y66 HydrophobicContact CG-CD1 3.67Å; F62-Y66 AromaticContact CG-CE1 3.83Å; F62-Y66 HydrophobicContact CG-CE1 3.83Å; F62-Y66 HydrophobicContact CG-CG 4.12Å; F62-Y66 HydrophobicContact CZ-CE1 4.19Å; F62-Y66 HydrophobicContact CZ-CE2 4.29Å; F62-Y66 AromaticContact CZ-CZ 3.89Å; F62-F67 HydrophobicContact CB-CE2 3.71Å; F62-F67 HydrophobicContact CB-CZ 3.86Å; F62-F67 HydrophobicContact CD2-CZ 4.45Å; F62-F67 HydrophobicContact CG-CZ 4.49Å; F62-D149 WeakPolarHBondContact CA-OD2 3.36Å; F62-D149 HydrophobicContact CD1-CB 4.06Å; F62-D149 HydrophobicContact CE1-CB 4.49Å
63	S	93.9	Very high	90.8	Very high	41 Å²	41	69.5 Å²	69.5	29%	0.287	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-71.9	159.9	177.8	75.4	0	0	0	0	112.8	K65 Y66 F67 D149	S63-K65 PolarHBondContact O-N 2.74Å; S63-K65 PolarHBondContact OG-N 2.94Å; S63-Y66 WeakPolarHBondContact O-CB 3.43Å; S63-Y66 PolarHBondContact O-N 3.48Å; S63-Y66 PolarHBondContact OG-N 3.22Å; S63-Y66 VanDerWaalsContact OG-N 3.09Å; S63-F67 WeakPolarHBondContact O-CD2 3.26Å; S63-F67 PolarHBondContact O-N 3.41Å; S63-D149 VanDerWaalsContact CB-OD1 3.29Å; S63-D149 WeakPolarHBondContact CB-OD1 3.37Å; S63-D149 PolarHBondContact N-OD2 3.22Å; S63-D149 VanDerWaalsContact OG-CG 3.32Å; S63-D149 PolarHBondContact OG-OD1 2.68Å; S63-D149 PolarHBondContact OG-OD2 3.37Å
64	A	92.8	Very high	91.5	Very high	87 Å²	87	65 Å²	65	72%	0.719	35%	0.349	S	S	*	.	H	α-helix	trans	-60	-34.7	171.5	0	0	0	0	0	112	F67 E68	A64-F67 PolarHBondContact O-N 3.38Å; A64-E68 PolarHBondContact O-N 2.72Å; A64-E68 VanDerWaalsContact O-N 3.08Å
65	K	92.1	Very high	91.6	Very high	100 Å²	100	68.5 Å²	68.5	44%	0.435	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-40.6	177.1	-173.6	178.8	175.6	-172.8	0	111.3	S63 F67 E68 L69 E146	S63-K65 PolarHBondContact O-N 2.74Å; S63-K65 PolarHBondContact OG-N 2.94Å; K65-F67 VanDerWaalsContact C-N 3.35Å; K65-F67 PolarHBondContact O-N 3.33Å; K65-E68 PolarHBondContact O-N 3.08Å; K65-L69 HydrophobicContact CG-CD1 4.27Å; K65-L69 HydrophobicContact CG-CG 4.44Å; K65-L69 WeakPolarHBondContact O-CG 3.32Å; K65-L69 PolarHBondContact O-N 3.12Å; K65-E146 WeakPolarHBondContact CE-OE2 3.44Å; K65-E146 VanDerWaalsContact NZ-CD 3.35Å; K65-E146 IonicContact NZ-OE2 2.72Å; K65-E146 PolarHBondContact NZ-OE2 3.25Å
66	Y	94.1	Very high	91.4	Very high	32 Å²	32	70.7 Å²	70.7	13%	0.125	37%	0.369	C	S	.	.	H	α-helix	trans	-54.6	-49.8	174.6	169.6	-96	0	0	0	111.9	F62 S63 E68 L69 L70 E147 D149	F62-Y66 HydrophobicContact CB-CD1 3.77Å; F62-Y66 HydrophobicContact CB-CE1 4.35Å; F62-Y66 HydrophobicContact CB-CG 4.23Å; F62-Y66 AromaticContact CD1-CD1 3.54Å; F62-Y66 HydrophobicContact CD1-CD1 3.54Å; F62-Y66 AromaticContact CD1-CD2 3.74Å; F62-Y66 HydrophobicContact CD1-CD2 3.74Å; F62-Y66 AromaticContact CD1-CE1 3.71Å; F62-Y66 HydrophobicContact CD1-CE1 3.71Å; F62-Y66 AromaticContact CD1-CE2 3.88Å; F62-Y66 HydrophobicContact CD1-CE2 3.88Å; F62-Y66 AromaticContact CD1-CG 3.56Å; F62-Y66 HydrophobicContact CD1-CG 3.56Å; F62-Y66 AromaticContact CD1-CZ 3.87Å; F62-Y66 HydrophobicContact CD2-CD1 4.4Å; F62-Y66 HydrophobicContact CD2-CE1 4.14Å; F62-Y66 HydrophobicContact CE1-CD1 4.17Å; F62-Y66 AromaticContact CE1-CD2 3.9Å; F62-Y66 HydrophobicContact CE1-CD2 3.9Å; F62-Y66 AromaticContact CE1-CE1 3.91Å; F62-Y66 HydrophobicContact CE1-CE1 3.91Å; F62-Y66 AromaticContact CE1-CE2 3.6Å; F62-Y66 HydrophobicContact CE1-CE2 3.6Å; F62-Y66 HydrophobicContact CE1-CG 4.17Å; F62-Y66 AromaticContact CE1-CZ 3.6Å; F62-Y66 HydrophobicContact CE2-CE1 4.32Å; F62-Y66 AromaticContact CG-CD1 3.67Å; F62-Y66 HydrophobicContact CG-CD1 3.67Å; F62-Y66 AromaticContact CG-CE1 3.83Å; F62-Y66 HydrophobicContact CG-CE1 3.83Å; F62-Y66 HydrophobicContact CG-CG 4.12Å; F62-Y66 HydrophobicContact CZ-CE1 4.19Å; F62-Y66 HydrophobicContact CZ-CE2 4.29Å; F62-Y66 AromaticContact CZ-CZ 3.89Å; S63-Y66 WeakPolarHBondContact O-CB 3.43Å; S63-Y66 PolarHBondContact O-N 3.48Å; S63-Y66 PolarHBondContact OG-N 3.22Å; S63-Y66 VanDerWaalsContact OG-N 3.09Å; Y66-E68 PolarHBondContact O-N 3.29Å; Y66-L69 PolarHBondContact O-N 3.39Å; Y66-L70 HydrophobicContact CE1-CD2 3.99Å; Y66-L70 WeakPolarHBondContact O-CB 3.39Å; Y66-L70 PolarHBondContact O-N 3.09Å; Y66-E147 VanDerWaalsContact CD2-O 3.26Å; Y66-E147 WeakPolarHBondContact CD2-O 3.39Å; Y66-E147 VanDerWaalsContact CE2-O 3.31Å; Y66-E147 WeakPolarHBondContact CE2-O 3.33Å; Y66-D149 HydrophobicContact CD2-CB 3.95Å; Y66-D149 HydrophobicContact CG-CB 4.26Å
67	F	93.7	Very high	91.5	Very high	45 Å²	45	66.3 Å²	66.3	20%	0.197	34%	0.341	C	S	.	.	H	α-helix	trans	-68	-34.6	-179.5	-68.3	-65.8	0	0	0	112.7	F50 F62 S63 A64 K65 L70 R71	F50-F67 AromaticContact CD1-CD1 3.61Å; F50-F67 HydrophobicContact CD1-CD1 3.61Å; F50-F67 HydrophobicContact CD1-CE1 4.13Å; F50-F67 HydrophobicContact CE1-CD1 4.1Å; F62-F67 HydrophobicContact CB-CE2 3.71Å; F62-F67 HydrophobicContact CB-CZ 3.86Å; F62-F67 HydrophobicContact CD2-CZ 4.45Å; F62-F67 HydrophobicContact CG-CZ 4.49Å; S63-F67 WeakPolarHBondContact O-CD2 3.26Å; S63-F67 PolarHBondContact O-N 3.41Å; A64-F67 PolarHBondContact O-N 3.38Å; K65-F67 VanDerWaalsContact C-N 3.35Å; K65-F67 PolarHBondContact O-N 3.33Å; F67-L70 HydrophobicContact CD1-CD2 4.48Å; F67-L70 PolarHBondContact O-N 3.37Å; F67-R71 WeakPolarHBondContact O-CG 3.2Å; F67-R71 PolarHBondContact O-N 3.47Å; F67-R71 VanDerWaalsContact O-N 3.12Å
68	E	92.2	Very high	91.7	Very high	93 Å²	93	62.9 Å²	62.9	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-48.4	172.7	-167.1	-159.5	144.8	0	0	111.4	A64 K65 Y66 R71 K72	A64-E68 PolarHBondContact O-N 2.72Å; A64-E68 VanDerWaalsContact O-N 3.08Å; K65-E68 PolarHBondContact O-N 3.08Å; Y66-E68 PolarHBondContact O-N 3.29Å; E68-R71 PolarHBondContact O-N 3.31Å; E68-K72 PolarHBondContact O-N 2.82Å; E68-K72 WeakPolarHBondContact OE1-CE 3.35Å; E68-K72 IonicContact OE1-NZ 3.12Å; E68-K72 PolarHBondContact OE1-NZ 3.36Å
69	L	91.1	Very high	91.8	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-40.9	177.1	-68.1	179.5	0	0	0	111.3	K65 Y66 R71 K72 R73 E146 E147	K65-L69 HydrophobicContact CG-CD1 4.27Å; K65-L69 HydrophobicContact CG-CG 4.44Å; K65-L69 WeakPolarHBondContact O-CG 3.32Å; K65-L69 PolarHBondContact O-N 3.12Å; Y66-L69 PolarHBondContact O-N 3.39Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 2.99Å; L69-K72 PolarHBondContact O-N 3.08Å; L69-K72 VanDerWaalsContact O-N 3.08Å; L69-R73 VanDerWaalsContact O-CG 3.25Å; L69-R73 WeakPolarHBondContact O-CG 3.36Å; L69-R73 PolarHBondContact O-N 3.21Å; L69-R73 PolarHBondContact O-NE 3.46Å; L69-E146 HydrophobicContact CD1-CB 4.17Å; L69-E147 HydrophobicContact CD1-CG 4.35Å
70	L	92.5	Very high	92	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-55.9	-45.3	176	-173.1	58.7	0	0	0	112.2	P49 F50 Y66 F67 K72 R73 I74 W79	P49-L70 HydrophobicContact CB-CD2 4.46Å; F50-L70 HydrophobicContact CD1-CD2 4.32Å; F50-L70 HydrophobicContact CE1-CD2 3.98Å; F50-L70 HydrophobicContact CE1-CG 4.4Å; F50-L70 HydrophobicContact CZ-CD2 4.23Å; F50-L70 HydrophobicContact CZ-CG 4.38Å; Y66-L70 HydrophobicContact CE1-CD2 3.99Å; Y66-L70 WeakPolarHBondContact O-CB 3.39Å; Y66-L70 PolarHBondContact O-N 3.09Å; F67-L70 HydrophobicContact CD1-CD2 4.48Å; F67-L70 PolarHBondContact O-N 3.37Å; L70-K72 VanDerWaalsContact C-N 3.25Å; L70-K72 PolarHBondContact O-N 3.01Å; L70-R73 PolarHBondContact O-N 2.97Å; L70-I74 HydrophobicContact CD1-CD1 3.91Å; L70-I74 HydrophobicContact CD1-CG1 4.08Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 HydrophobicContact CG-CG1 4.44Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 2.95Å; L70-I74 VanDerWaalsContact O-N 3.08Å; L70-W79 HydrophobicContact CD1-CH2 4.4Å; L70-W79 HydrophobicContact CD1-CZ2 4.39Å
71	R	92.8	Very high	92	Very high	152 Å²	152	62.7 Å²	62.7	57%	0.574	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-31.7	176.7	-70.6	178.1	-164.9	131.2	1.1	113.3	F50 F67 E68 L69	F50-R71 HydrophobicContact CE1-CG 3.99Å; F50-R71 HydrophobicContact CZ-CG 3.84Å; F67-R71 WeakPolarHBondContact O-CG 3.2Å; F67-R71 PolarHBondContact O-N 3.47Å; F67-R71 VanDerWaalsContact O-N 3.12Å; E68-R71 PolarHBondContact O-N 3.31Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-R71 PolarHBondContact O-N 2.99Å
72	K	89.1	Confident	92.2	Very high	118 Å²	118	60.4 Å²	60.4	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-76.9	-44.5	175.8	-65.7	178.7	-171.6	168.5	0	111	E68 L69 L70 K75	E68-K72 PolarHBondContact O-N 2.82Å; E68-K72 WeakPolarHBondContact OE1-CE 3.35Å; E68-K72 IonicContact OE1-NZ 3.12Å; E68-K72 PolarHBondContact OE1-NZ 3.36Å; L69-K72 PolarHBondContact O-N 3.08Å; L69-K72 VanDerWaalsContact O-N 3.08Å; L70-K72 VanDerWaalsContact C-N 3.25Å; L70-K72 PolarHBondContact O-N 3.01Å; K72-K75 WeakPolarHBondContact O-CB 2.77Å; K72-K75 PolarHBondContact O-N 3.01Å
73	R	91.2	Very high	92.2	Very high	6 Å²	6	66.8 Å²	66.8	2%	0.023	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-43.7	-177.2	-70.9	176.2	-60.4	174.7	-11.8	113.6	L69 L70 K75 L76 W79 E147	L69-R73 VanDerWaalsContact O-CG 3.25Å; L69-R73 WeakPolarHBondContact O-CG 3.36Å; L69-R73 PolarHBondContact O-N 3.21Å; L69-R73 PolarHBondContact O-NE 3.46Å; L70-R73 PolarHBondContact O-N 2.97Å; R73-K75 PolarHBondContact O-N 2.88Å; R73-L76 HydrophobicContact CB-CD1 4.48Å; R73-L76 VanDerWaalsContact O-CB 3.23Å; R73-L76 WeakPolarHBondContact O-CB 3.46Å; R73-L76 VanDerWaalsContact O-CG 3.3Å; R73-L76 WeakPolarHBondContact O-CG 3.36Å; R73-L76 PolarHBondContact O-N 3Å; R73-W79 PolarHBondContact O-NE1 2.86Å; R73-E147 WeakPolarHBondContact CD-OE2 3.21Å; R73-E147 PolarHBondContact NH1-O 2.83Å; R73-E147 IonicContact NH1-OE2 3.15Å; R73-E147 PolarHBondContact NH2-O 2.81Å; R73-E147 VanDerWaalsContact NH2-O 3.15Å
74	I	92.3	Very high	92.2	Very high	62 Å²	62	68.7 Å²	68.7	32%	0.318	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.6	-179.9	-68.9	167.6	0	0	0	112.1	P49 F50 L70 W79	P49-I74 HydrophobicContact CG-CD1 4.27Å; F50-I74 HydrophobicContact CE2-CD1 4.41Å; F50-I74 HydrophobicContact CZ-CD1 4.39Å; L70-I74 HydrophobicContact CD1-CD1 3.91Å; L70-I74 HydrophobicContact CD1-CG1 4.08Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 HydrophobicContact CG-CG1 4.44Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 2.95Å; L70-I74 VanDerWaalsContact O-N 3.08Å; I74-W79 HydrophobicContact CB-CD2 4.49Å; I74-W79 HydrophobicContact CG1-CD2 4.18Å; I74-W79 HydrophobicContact CG1-CE3 4.1Å; I74-W79 HydrophobicContact CG1-CH2 4.02Å; I74-W79 HydrophobicContact CG1-CZ2 4.11Å; I74-W79 HydrophobicContact CG1-CZ3 4.03Å
75	K	89.8	Confident	92.4	Very high	152 Å²	152	64.6 Å²	64.6	66%	0.661	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.5	177.4	-59.5	-179.2	-179.1	-175.8	0	113.8	K72 R73 R254	K72-K75 WeakPolarHBondContact O-CB 2.77Å; K72-K75 PolarHBondContact O-N 3.01Å; R73-K75 PolarHBondContact O-N 2.88Å; K75-R254 PolarHBondContact O-NH1 2.85Å
76	L	88.3	Confident	92.5	Very high	45 Å²	45	61.8 Å²	61.8	24%	0.236	28%	0.277	C	S	.	.	S	Bend	trans	-68.2	144.2	179.7	-67.7	170.4	0	0	0	110.7	R73 V78 W79 Q108	R73-L76 HydrophobicContact CB-CD1 4.48Å; R73-L76 VanDerWaalsContact O-CB 3.23Å; R73-L76 WeakPolarHBondContact O-CB 3.46Å; R73-L76 VanDerWaalsContact O-CG 3.3Å; R73-L76 WeakPolarHBondContact O-CG 3.36Å; R73-L76 PolarHBondContact O-N 3Å; L76-V78 VanDerWaalsContact C-N 3.27Å; L76-V78 HydrophobicContact CB-CG2 4.3Å; L76-V78 PolarHBondContact O-N 3.15Å; L76-V78 VanDerWaalsContact O-N 3.15Å; L76-W79 WeakPolarHBondContact O-CB 3.39Å; L76-W79 PolarHBondContact O-N 3.42Å; L76-Q108 HydrophobicContact CD1-CG 3.89Å
77	P	89.5	Confident	92.6	Very high	12 Å²	12	65.2 Å²	65.2	8%	0.078	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-51.5	-39.8	-177.5	-29.5	34.5	0	0	0	115	W79 E80 S103 V251 R254	P77-W79 PolarHBondContact O-N 2.95Å; P77-E80 PolarHBondContact O-N 2.92Å; P77-S103 WeakPolarHBondContact CD-O 3.25Å; P77-V251 HydrophobicContact CB-CG1 3.87Å; P77-R254 HydrophobicContact CG-CB 4.16Å; P77-R254 HydrophobicContact CG-CG 3.9Å
78	V	92.2	Very high	92.7	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-58.5	-33.3	-179.3	-69.1	0	0	0	0	112.9	L76 E80 Y81 S103 K105 Q108 W112 V251	L76-V78 VanDerWaalsContact C-N 3.27Å; L76-V78 HydrophobicContact CB-CG2 4.3Å; L76-V78 PolarHBondContact O-N 3.15Å; L76-V78 VanDerWaalsContact O-N 3.15Å; V78-E80 PolarHBondContact O-N 2.99Å; V78-Y81 PolarHBondContact O-N 3.04Å; V78-S103 VanDerWaalsContact CG1-O 3.29Å; V78-S103 WeakPolarHBondContact CG1-O 3.32Å; V78-S103 WeakPolarHBondContact CG2-O 3.47Å; V78-S103 PolarHBondContact N-O 3.43Å; V78-S103 VanDerWaalsContact N-O 3.17Å; V78-K105 HydrophobicContact CG1-CG 4.39Å; V78-Q108 HydrophobicContact CG2-CB 3.88Å; V78-Q108 HydrophobicContact CG2-CG 3.82Å; V78-W112 HydrophobicContact CB-CH2 3.92Å; V78-W112 HydrophobicContact CB-CZ3 4.49Å; V78-W112 HydrophobicContact CG2-CH2 3.97Å; V78-W112 HydrophobicContact CG2-CZ2 4.38Å; V78-W112 VanDerWaalsContact O-CH2 3.27Å; V78-W112 WeakPolarHBondContact O-CH2 3.49Å; V78-V251 HydrophobicContact CG1-CB 4.47Å; V78-V251 HydrophobicContact CG1-CG1 3.96Å; V78-V251 HydrophobicContact CG1-CG2 4.21Å
79	W	93.2	Very high	92.8	Very high	53 Å²	53	60 Å²	60	20%	0.201	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-62.5	-28.7	-172.6	-92.9	83.7	0	0	0	113.5	L70 R73 I74 L76 P77 Y81 K82 W112	L70-W79 HydrophobicContact CD1-CH2 4.4Å; L70-W79 HydrophobicContact CD1-CZ2 4.39Å; R73-W79 PolarHBondContact O-NE1 2.86Å; I74-W79 HydrophobicContact CB-CD2 4.49Å; I74-W79 HydrophobicContact CG1-CD2 4.18Å; I74-W79 HydrophobicContact CG1-CE3 4.1Å; I74-W79 HydrophobicContact CG1-CH2 4.02Å; I74-W79 HydrophobicContact CG1-CZ2 4.11Å; I74-W79 HydrophobicContact CG1-CZ3 4.03Å; L76-W79 WeakPolarHBondContact O-CB 3.39Å; L76-W79 PolarHBondContact O-N 3.42Å; P77-W79 PolarHBondContact O-N 2.95Å; W79-Y81 PolarHBondContact O-N 2.62Å; W79-K82 HydrophobicContact CE3-CD 4.14Å; W79-K82 HydrophobicContact CZ3-CD 3.94Å; W79-K82 PolarHBondContact O-N 3.26Å; W79-W112 HydrophobicContact CD2-CZ2 4.08Å; W79-W112 HydrophobicContact CG-CZ2 4.04Å
80	E	92.7	Very high	92.9	Very high	124 Å²	124	61.8 Å²	61.8	58%	0.579	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.1	174.1	-66.5	178.8	-178	0	0	112.4	P77 V78 R254	P77-E80 PolarHBondContact O-N 2.92Å; V78-E80 PolarHBondContact O-N 2.99Å; E80-R254 IonicContact OE1-CZ 3.87Å; E80-R254 IonicContact OE1-NH2 2.91Å; E80-R254 PolarHBondContact OE1-NH2 3.44Å
81	Y	93.9	Very high	93	Very high	60 Å²	60	67.6 Å²	67.6	24%	0.235	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-111.4	13.4	-175.4	-60.5	-101.2	0	0	0	113.4	V78 W79 E83 N84 F85 M249 V251 P252	V78-Y81 PolarHBondContact O-N 3.04Å; W79-Y81 PolarHBondContact O-N 2.62Å; Y81-E83 VanDerWaalsContact C-N 3.34Å; Y81-E83 PolarHBondContact O-N 3.28Å; Y81-N84 PolarHBondContact O-N 3.15Å; Y81-F85 WeakPolarHBondContact O-CB 3.44Å; Y81-F85 PolarHBondContact O-N 2.88Å; Y81-M249 HydrophobicContact CD1-CE 4.28Å; Y81-M249 HydrophobicContact CG-CE 4.03Å; Y81-M249 WeakPolarHBondContact O-CE 3.1Å; Y81-V251 HydrophobicContact CD2-CG1 4.28Å; Y81-V251 HydrophobicContact CD2-CG2 4.36Å; Y81-V251 HydrophobicContact CE2-CG1 4.39Å; Y81-V251 HydrophobicContact CG-CG2 4.47Å; Y81-P252 HydrophobicContact CE2-CG 4.3Å; Y81-P252 WeakPolarHBondContact OH-CD 3.37Å; Y81-P252 WeakPolarHBondContact OH-CG 3.49Å
82	K	94.8	Very high	93.2	Very high	43 Å²	43	62.8 Å²	62.8	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-44.2	-177.5	-178.8	171.5	175.4	171.1	0	112.7	W79 F85 F86 W112 E115	W79-K82 HydrophobicContact CE3-CD 4.14Å; W79-K82 HydrophobicContact CZ3-CD 3.94Å; W79-K82 PolarHBondContact O-N 3.26Å; K82-F85 PolarHBondContact O-N 3.42Å; K82-F86 HydrophobicContact CD-CE2 4.31Å; K82-F86 HydrophobicContact CG-CD2 4.16Å; K82-F86 HydrophobicContact CG-CE2 3.89Å; K82-F86 WeakPolarHBondContact O-CD2 3.4Å; K82-F86 PolarHBondContact O-N 3.24Å; K82-F86 VanDerWaalsContact O-N 3.17Å; K82-W112 HydrophobicContact CB-CD2 4.45Å; K82-W112 HydrophobicContact CB-CE3 4.35Å; K82-W112 HydrophobicContact CB-CH2 3.83Å; K82-W112 HydrophobicContact CB-CZ2 3.92Å; K82-W112 HydrophobicContact CB-CZ3 4.04Å; K82-W112 HydrophobicContact CD-CD2 4.18Å; K82-W112 HydrophobicContact CD-CG 4.43Å; K82-W112 HydrophobicContact CD-CZ2 4.09Å; K82-W112 HydrophobicContact CG-CD2 3.86Å; K82-W112 HydrophobicContact CG-CE3 4.11Å; K82-W112 HydrophobicContact CG-CG 4.38Å; K82-W112 HydrophobicContact CG-CH2 4.28Å; K82-W112 HydrophobicContact CG-CZ2 4.03Å; K82-W112 HydrophobicContact CG-CZ3 4.31Å; K82-E115 IonicContact NZ-OE1 2.69Å; K82-E115 IonicContact NZ-OE2 3.69Å; K82-E115 PolarHBondContact NZ-OE2 3.42Å
83	E	94.5	Very high	93.5	Very high	162 Å²	162	59.7 Å²	59.7	76%	0.757	29%	0.286	S	S	*	.	H	α-helix	trans	-66.9	-46.8	179.6	-66.5	-178.9	178.4	0	0	111.8	Y81 F85 F86 Q87	Y81-E83 VanDerWaalsContact C-N 3.34Å; Y81-E83 PolarHBondContact O-N 3.28Å; E83-F85 VanDerWaalsContact C-N 3.28Å; E83-F85 PolarHBondContact O-N 3.01Å; E83-F86 PolarHBondContact O-N 3.45Å; E83-Q87 PolarHBondContact O-N 2.88Å
84	N	94.1	Very high	93.7	Very high	82 Å²	82	60.2 Å²	60.2	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-42.7	175.4	-68	-13.3	0	0	0	111.2	Y81 F86 Q87 T88	Y81-N84 PolarHBondContact O-N 3.15Å; N84-F86 PolarHBondContact O-N 3.1Å; N84-Q87 PolarHBondContact O-N 3.22Å; N84-T88 PolarHBondContact O-N 3.43Å; N84-T88 PolarHBondContact O-OG1 3.15Å
85	F	96	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-47.8	176.6	178.3	-101.1	0	0	0	112.2	Y81 K82 E83 Q87 T88 L89 L97 I109 W112 V228 M249	Y81-F85 WeakPolarHBondContact O-CB 3.44Å; Y81-F85 PolarHBondContact O-N 2.88Å; K82-F85 PolarHBondContact O-N 3.42Å; E83-F85 VanDerWaalsContact C-N 3.28Å; E83-F85 PolarHBondContact O-N 3.01Å; F85-Q87 VanDerWaalsContact C-N 3.29Å; F85-Q87 PolarHBondContact O-N 2.84Å; F85-T88 PolarHBondContact O-N 3.25Å; F85-L89 HydrophobicContact CE1-CD2 3.87Å; F85-L89 HydrophobicContact CZ-CD2 4.11Å; F85-L89 VanDerWaalsContact O-CB 3.26Å; F85-L89 WeakPolarHBondContact O-CB 3.31Å; F85-L89 PolarHBondContact O-N 3.4Å; F85-L97 HydrophobicContact CD2-CD1 3.98Å; F85-L97 HydrophobicContact CE2-CD1 4.12Å; F85-I109 HydrophobicContact CD2-CD1 4.34Å; F85-I109 HydrophobicContact CE1-CG2 4.09Å; F85-I109 HydrophobicContact CE2-CD1 4.47Å; F85-I109 HydrophobicContact CE2-CG2 3.67Å; F85-I109 HydrophobicContact CZ-CG2 3.43Å; F85-I109 VanDerWaalsContact CZ-CG2 3.43Å; F85-W112 HydrophobicContact CB-CE3 4.21Å; F85-W112 HydrophobicContact CB-CZ3 4.3Å; F85-W112 HydrophobicContact CD1-CB 4.21Å; F85-W112 AromaticContact CD1-CE3 3.75Å; F85-W112 HydrophobicContact CD1-CE3 3.75Å; F85-W112 HydrophobicContact CE1-CB 4.13Å; F85-W112 HydrophobicContact CE1-CE3 4.42Å; F85-W112 HydrophobicContact CG-CE3 4.07Å; F85-W112 HydrophobicContact CG-CZ3 4.48Å; F85-V228 HydrophobicContact CE2-CG1 4.3Å; F85-V228 HydrophobicContact CE2-CG2 4.35Å; F85-V228 HydrophobicContact CZ-CG2 4.2Å; F85-M249 HydrophobicContact CB-CE 3.8Å; F85-M249 HydrophobicContact CB-SD 3.94Å; F85-M249 HydrophobicContact CD2-SD 3.79Å; F85-M249 HydrophobicContact CG-SD 4.37Å
86	F	95.2	Very high	94.2	Very high	41 Å²	41	50 Å²	50	18%	0.18	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-37.1	178.2	-80.1	-54.3	0	0	0	113.1	K82 E83 N84 S90 W112 E115 W116	K82-F86 HydrophobicContact CD-CE2 4.31Å; K82-F86 HydrophobicContact CG-CD2 4.16Å; K82-F86 HydrophobicContact CG-CE2 3.89Å; K82-F86 WeakPolarHBondContact O-CD2 3.4Å; K82-F86 PolarHBondContact O-N 3.24Å; K82-F86 VanDerWaalsContact O-N 3.17Å; E83-F86 PolarHBondContact O-N 3.45Å; N84-F86 PolarHBondContact O-N 3.1Å; F86-S90 WeakPolarHBondContact O-CB 3.06Å; F86-S90 PolarHBondContact O-N 2.76Å; F86-S90 PolarHBondContact O-OG 3.01Å; F86-W112 HydrophobicContact CE1-CB 4.15Å; F86-W112 VanDerWaalsContact CE1-O 3.3Å; F86-W112 WeakPolarHBondContact CE1-O 3.48Å; F86-W112 HydrophobicContact CZ-CB 4Å; F86-E115 HydrophobicContact CZ-CB 4.21Å; F86-E115 HydrophobicContact CZ-CG 4.14Å; F86-W116 HydrophobicContact CD1-CB 4.27Å; F86-W116 AromaticContact CD1-CD1 3.97Å; F86-W116 HydrophobicContact CE1-CB 3.97Å
87	Q	95.4	Very high	94.5	Very high	105 Å²	105	47.9 Å²	47.9	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-55.4	174.7	-176.6	177.1	1.5	0	0	110.2	E83 N84 F85 L89 S90 E91	E83-Q87 PolarHBondContact O-N 2.88Å; N84-Q87 PolarHBondContact O-N 3.22Å; F85-Q87 VanDerWaalsContact C-N 3.29Å; F85-Q87 PolarHBondContact O-N 2.84Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-L89 PolarHBondContact O-N 3.18Å; Q87-S90 PolarHBondContact O-N 3.46Å; Q87-S90 VanDerWaalsContact O-N 3.09Å; Q87-E91 HydrophobicContact CG-CG 4.47Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.42Å; Q87-E91 PolarHBondContact NE2-OE1 3.08Å; Q87-E91 WeakPolarHBondContact O-CG 3.45Å; Q87-E91 PolarHBondContact O-N 3.29Å
88	T	95.2	Very high	94.7	Very high	28 Å²	28	47.7 Å²	47.7	17%	0.172	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-44	-179.3	-51.9	0	0	0	0	112	N84 F85 S90 E91 N92 T95 P247	N84-T88 PolarHBondContact O-N 3.43Å; N84-T88 PolarHBondContact O-OG1 3.15Å; F85-T88 PolarHBondContact O-N 3.25Å; T88-S90 VanDerWaalsContact C-N 3.31Å; T88-S90 PolarHBondContact O-N 3.34Å; T88-E91 PolarHBondContact O-N 2.82Å; T88-N92 WeakPolarHBondContact O-CB 3.31Å; T88-N92 PolarHBondContact O-N 2.72Å; T88-N92 PolarHBondContact O-ND2 2.95Å; T88-T95 HydrophobicContact CG2-CG2 3.67Å; T88-P247 HydrophobicContact CG2-CB 3.84Å; T88-P247 HydrophobicContact CG2-CG 3.58Å
89	L	94.7	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-35.5	177.8	-175.3	67	0	0	0	112.4	F85 Q87 N92 W116 K226 V228	F85-L89 HydrophobicContact CE1-CD2 3.87Å; F85-L89 HydrophobicContact CZ-CD2 4.11Å; F85-L89 VanDerWaalsContact O-CB 3.26Å; F85-L89 WeakPolarHBondContact O-CB 3.31Å; F85-L89 PolarHBondContact O-N 3.4Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-L89 PolarHBondContact O-N 3.18Å; L89-N92 VanDerWaalsContact O-O 3.06Å; L89-W116 HydrophobicContact CD2-CB 4.07Å; L89-W116 HydrophobicContact CD2-CD2 4.01Å; L89-W116 HydrophobicContact CD2-CG 3.76Å; L89-W116 HydrophobicContact CG-CD2 4.46Å; L89-K226 HydrophobicContact CD1-CB 3.82Å; L89-K226 HydrophobicContact CD1-CD 4.47Å; L89-K226 HydrophobicContact CD1-CG 4.1Å; L89-K226 WeakPolarHBondContact O-CE 3.39Å; L89-K226 PolarHBondContact O-NZ 2.91Å; L89-V228 HydrophobicContact CD1-CG2 3.98Å
90	S	93.6	Very high	93.8	Very high	46 Å²	46	48.9 Å²	48.9	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-72.8	-42.3	179	-59.6	0	0	0	0	111.5	F86 Q87 T88 W116 R120 K226	F86-S90 WeakPolarHBondContact O-CB 3.06Å; F86-S90 PolarHBondContact O-N 2.76Å; F86-S90 PolarHBondContact O-OG 3.01Å; Q87-S90 PolarHBondContact O-N 3.46Å; Q87-S90 VanDerWaalsContact O-N 3.09Å; T88-S90 VanDerWaalsContact C-N 3.31Å; T88-S90 PolarHBondContact O-N 3.34Å; S90-W116 PolarHBondContact OG-NE1 2.7Å; S90-R120 PolarHBondContact OG-NH2 3.39Å; S90-K226 PolarHBondContact O-NZ 2.73Å
91	E	94.8	Very high	93	Very high	127 Å²	127	43.7 Å²	43.7	59%	0.593	22%	0.215	S	C	*	.	H	α-helix	trans	-77.7	-24.8	-175.8	-69.6	171.4	-178.4	0	0	113.7	Q87 T88	Q87-E91 HydrophobicContact CG-CG 4.47Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.42Å; Q87-E91 PolarHBondContact NE2-OE1 3.08Å; Q87-E91 WeakPolarHBondContact O-CG 3.45Å; Q87-E91 PolarHBondContact O-N 3.29Å; T88-E91 PolarHBondContact O-N 2.82Å
92	N	95.9	Very high	92.2	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.273	23%	0.225	S	C	.	.			trans	-125.1	146.9	-171.1	-57.6	-88.7	0	0	0	111.7	T88 L89 K226 P247	T88-N92 WeakPolarHBondContact O-CB 3.31Å; T88-N92 PolarHBondContact O-N 2.72Å; T88-N92 PolarHBondContact O-ND2 2.95Å; L89-N92 VanDerWaalsContact O-O 3.06Å; N92-K226 WeakPolarHBondContact O-CD 3.45Å; N92-K226 PolarHBondContact O-NZ 3.41Å; N92-P247 HydrophobicContact CB-CG 3.85Å
93	Q	95.5	Very high	91.8	Very high	54 Å²	54	41 Å²	41	25%	0.252	22%	0.218	S	C	.	.	S	Bend	trans	-77.1	-37.6	176	-163.8	-179.7	16.3	0	0	111.7	T219 R222 L225 K226 I227	Q93-T219 HydrophobicContact CG-CG2 4.2Å; Q93-T219 PolarHBondContact NE2-O 3.06Å; Q93-R222 PolarHBondContact NE2-O 3.41Å; Q93-L225 WeakPolarHBondContact CG-O 3.26Å; Q93-K226 WeakPolarHBondContact O-CA 3.39Å; Q93-I227 PolarHBondContact O-N 2.93Å
94	V	96.9	Very high	91.5	Very high	16 Å²	16	33.7 Å²	33.7	10%	0.097	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.5	177.3	-172.2	0	0	0	0	109.3	T219 I227 F243 A246 P247	V94-T219 HydrophobicContact CG2-CG2 4.33Å; V94-I227 CarbonylContact C-O 3.55Å; V94-I227 WeakPolarHBondContact CA-O 3.35Å; V94-I227 HydrophobicContact CG1-CB 4.21Å; V94-I227 HydrophobicContact CG1-CG2 4.23Å; V94-I227 HydrophobicContact CG2-CB 4.22Å; V94-I227 HydrophobicContact CG2-CD1 4.29Å; V94-F243 HydrophobicContact CB-CB 4.4Å; V94-F243 HydrophobicContact CG1-CB 3.84Å; V94-F243 HydrophobicContact CG1-CD1 3.98Å; V94-F243 HydrophobicContact CG1-CD2 4.3Å; V94-F243 HydrophobicContact CG1-CG 3.79Å; V94-F243 HydrophobicContact CG2-CD1 4.18Å; V94-A246 HydrophobicContact CB-CB 4.18Å; V94-A246 HydrophobicContact CG1-CB 4.14Å; V94-P247 WeakPolarHBondContact O-CD 3.41Å
95	T	96.4	Very high	91.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.2	174.7	-60.3	0	0	0	0	109.9	T88 I227 V228 V229	T88-T95 HydrophobicContact CG2-CG2 3.67Å; T95-I227 PolarHBondContact N-O 3.31Å; T95-V228 CarbonylContact O-C 3.55Å; T95-V228 WeakPolarHBondContact O-CA 3.37Å; T95-V229 PolarHBondContact O-N 3.47Å
96	V	95.8	Very high	91.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.5	172.8	-177.5	0	0	0	0	108.2	V98 V229 F239 Q240 A246 P247 L248 M249	V96-V98 HydrophobicContact CG1-CG2 4.47Å; V96-V229 CarbonylContact C-O 3.56Å; V96-V229 WeakPolarHBondContact CA-O 3.38Å; V96-F239 HydrophobicContact CG1-CB 4.15Å; V96-F239 HydrophobicContact CG2-CB 4.17Å; V96-Q240 HydrophobicContact CB-CG 4.26Å; V96-Q240 HydrophobicContact CG2-CG 4.08Å; V96-A246 HydrophobicContact CG2-CB 4.13Å; V96-P247 PolarHBondContact N-O 3.08Å; V96-L248 HydrophobicContact CB-CD1 4.27Å; V96-L248 HydrophobicContact CG1-CD1 3.91Å; V96-L248 CarbonylContact O-C 3.51Å; V96-L248 WeakPolarHBondContact O-CA 3.35Å; V96-M249 PolarHBondContact O-N 2.79Å
97	L	94.7	Very high	91.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	179.5	-171.7	156.5	0	0	0	110.1	F85 K105 I109 V228 V229 M230 S231 M249	F85-L97 HydrophobicContact CD2-CD1 3.98Å; F85-L97 HydrophobicContact CE2-CD1 4.12Å; L97-K105 HydrophobicContact CD2-CB 4.38Å; L97-K105 HydrophobicContact CD2-CD 3.45Å; L97-K105 VanDerWaalsContact CD2-CD 3.45Å; L97-K105 HydrophobicContact CD2-CG 3.71Å; L97-I109 HydrophobicContact CD1-CD1 3.58Å; L97-I109 HydrophobicContact CD1-CG1 3.96Å; L97-V228 HydrophobicContact CB-CG1 4.35Å; L97-V229 PolarHBondContact N-O 2.78Å; L97-M230 HydrophobicContact CB-CG 4.28Å; L97-M230 CarbonylContact O-C 3.59Å; L97-M230 VanDerWaalsContact O-CA 3.25Å; L97-M230 WeakPolarHBondContact O-CA 3.43Å; L97-S231 PolarHBondContact O-N 2.73Å; L97-M249 CarbonylContact C-O 3.47Å; L97-M249 WeakPolarHBondContact CA-O 3.41Å; L97-M249 HydrophobicContact CD1-SD 3.77Å; L97-M249 HydrophobicContact CG-SD 4.28Å
98	V	92.5	Very high	91.1	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.048	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.3	176.7	177.9	0	0	0	0	109.1	V96 S231 A236 L248 M249 T250 V251	V96-V98 HydrophobicContact CG1-CG2 4.47Å; V98-S231 WeakPolarHBondContact CA-O 3.45Å; V98-A236 HydrophobicContact CG2-CB 3.46Å; V98-A236 VanDerWaalsContact CG2-CB 3.46Å; V98-L248 HydrophobicContact CB-CD1 4.11Å; V98-L248 HydrophobicContact CG2-CD1 3.52Å; V98-M249 PolarHBondContact N-O 2.78Å; V98-T250 CarbonylContact O-C 3.54Å; V98-T250 WeakPolarHBondContact O-CA 3.48Å; V98-V251 PolarHBondContact O-N 3.2Å
99	G	87.2	Confident	91.2	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	144.4	172	0	0	0	0	0	110.5	K105 S231 A232 V251	G99-K105 WeakPolarHBondContact O-CE 3.41Å; G99-K105 PolarHBondContact O-NZ 3.08Å; G99-S231 PolarHBondContact N-O 2.91Å; G99-A232 WeakPolarHBondContact O-CA 3.43Å; G99-V251 WeakPolarHBondContact CA-O 3.5Å
100	E	79.9	Confident	91.4	Very high	78 Å²	78	23.9 Å²	23.9	36%	0.364	14%	0.139	S	C	.	.			trans	-55.6	155.7	179.8	-68.5	-179.3	-169.4	0	0	111.4	G102 S103 G253 T255	E100-G102 PolarHBondContact O-N 2.99Å; E100-S103 WeakPolarHBondContact O-CB 3.18Å; E100-S103 PolarHBondContact O-N 3Å; E100-S103 VanDerWaalsContact O-N 3.11Å; E100-S103 PolarHBondContact O-OG 2.92Å; E100-G253 WeakPolarHBondContact OE2-CA 3.36Å; E100-T255 WeakPolarHBondContact OE2-CB 3.43Å; E100-T255 WeakPolarHBondContact OE2-CG2 3.37Å; E100-T255 PolarHBondContact OE2-OG1 2.77Å
101	T	76.5	Confident	91.5	Very high	14 Å²	14	22.9 Å²	22.9	9%	0.086	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	141.8	176.5	72.7	0	0	0	0	110.7	S103 A232 R411 R414	T101-S103 VanDerWaalsContact C-N 3.28Å; T101-S103 PolarHBondContact O-N 2.99Å; T101-A232 HydrophobicContact CG2-CB 3.73Å; T101-R411 VanDerWaalsContact CG2-NH2 3.29Å; T101-R411 PolarHBondContact OG1-NH1 3.06Å; T101-R411 PolarHBondContact OG1-NH2 2.77Å; T101-R414 PolarHBondContact OG1-NE 3.37Å; T101-R414 PolarHBondContact OG1-NH2 2.9Å
102	G	77	Confident	91.6	Very high	44 Å²	44	17.1 Å²	17.1	45%	0.454	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-5.3	-172.2	0	0	0	0	0	115	E100 G104	E100-G102 PolarHBondContact O-N 2.99Å; G102-G104 PolarHBondContact O-N 3.18Å
103	S	85.7	Confident	91.7	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.021	9%	0.089	C	C	.	.	S	Bend	trans	-65.1	-19.2	174.7	55.6	0	0	0	0	114	P77 V78 E100 T101 K105	P77-S103 WeakPolarHBondContact CD-O 3.25Å; V78-S103 VanDerWaalsContact CG1-O 3.29Å; V78-S103 WeakPolarHBondContact CG1-O 3.32Å; V78-S103 WeakPolarHBondContact CG2-O 3.47Å; V78-S103 PolarHBondContact N-O 3.43Å; V78-S103 VanDerWaalsContact N-O 3.17Å; E100-S103 WeakPolarHBondContact O-CB 3.18Å; E100-S103 PolarHBondContact O-N 3Å; E100-S103 VanDerWaalsContact O-N 3.11Å; E100-S103 PolarHBondContact O-OG 2.92Å; T101-S103 VanDerWaalsContact C-N 3.28Å; T101-S103 PolarHBondContact O-N 2.99Å; S103-K105 WeakPolarHBondContact OG-CG 3.35Å
104	G	88.1	Confident	91.6	Very high	9 Å²	9	12.1 Å²	12.1	9%	0.093	8%	0.077	C	C	.	.	S	Bend	trans	109.3	1.6	178.2	0	0	0	0	0	115.5	G102 T106 T107 Q108	G102-G104 PolarHBondContact O-N 3.18Å; G104-T106 PolarHBondContact O-N 3.34Å; G104-T107 PolarHBondContact O-N 3.17Å; G104-T107 PolarHBondContact O-OG1 2.77Å; G104-T107 VanDerWaalsContact O-OG1 3.14Å; G104-Q108 WeakPolarHBondContact O-CB 3.41Å; G104-Q108 WeakPolarHBondContact O-CG 3.38Å; G104-Q108 PolarHBondContact O-N 2.88Å
105	K	91.6	Very high	91.5	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-44.9	-63.7	-176	-52.5	-170.2	-55.4	-68.1	0	113.6	V78 L97 G99 S103 T107 Q108 I109 P110 E200 M230 S231	V78-K105 HydrophobicContact CG1-CG 4.39Å; L97-K105 HydrophobicContact CD2-CB 4.38Å; L97-K105 HydrophobicContact CD2-CD 3.45Å; L97-K105 VanDerWaalsContact CD2-CD 3.45Å; L97-K105 HydrophobicContact CD2-CG 3.71Å; G99-K105 WeakPolarHBondContact O-CE 3.41Å; G99-K105 PolarHBondContact O-NZ 3.08Å; S103-K105 WeakPolarHBondContact OG-CG 3.35Å; K105-T107 VanDerWaalsContact C-N 3.27Å; K105-T107 PolarHBondContact O-N 2.66Å; K105-Q108 PolarHBondContact O-N 2.8Å; K105-I109 HydrophobicContact CB-CG1 4.49Å; K105-I109 VanDerWaalsContact O-CB 3.25Å; K105-I109 WeakPolarHBondContact O-CB 3.27Å; K105-I109 VanDerWaalsContact O-CG1 3.22Å; K105-I109 WeakPolarHBondContact O-CG1 3.34Å; K105-I109 PolarHBondContact O-N 3.28Å; K105-P110 WeakPolarHBondContact O-CD 3.48Å; K105-E200 IonicContact NZ-OE1 2.74Å; K105-M230 HydrophobicContact CB-SD 3.98Å; K105-S231 WeakPolarHBondContact CE-O 3.35Å
106	T	92.8	Very high	91.3	Very high	19 Å²	19	16.6 Å²	16.6	12%	0.117	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-30.3	-173	-46.9	0	0	0	0	114.2	G104 P110 Q131 V140 Y174 D199	G104-T106 PolarHBondContact O-N 3.34Å; T106-P110 WeakPolarHBondContact O-CD 3.48Å; T106-P110 WeakPolarHBondContact O-CG 3.23Å; T106-Q131 VanDerWaalsContact CG2-NE2 3.29Å; T106-V140 HydrophobicContact CG2-CB 4.28Å; T106-V140 HydrophobicContact CG2-CG1 3.7Å; T106-V140 HydrophobicContact CG2-CG2 3.71Å; T106-Y174 HydrophobicContact CG2-CE1 4.49Å; T106-Y174 PolarHBondContact O-OH 3.48Å; T106-D199 WeakPolarHBondContact CA-OD2 3.3Å; T106-D199 WeakPolarHBondContact CB-OD2 3.37Å; T106-D199 WeakPolarHBondContact CG2-OD2 3.28Å; T106-D199 PolarHBondContact OG1-OD2 3.22Å
107	T	93.6	Very high	91.1	Very high	24 Å²	24	16.7 Å²	16.7	15%	0.147	10%	0.097	C	C	.	.	H	α-helix	trans	-92	-44.5	-177.7	57	0	0	0	0	112.1	G104 K105 Q111 R143 V144	G104-T107 PolarHBondContact O-N 3.17Å; G104-T107 PolarHBondContact O-OG1 2.77Å; G104-T107 VanDerWaalsContact O-OG1 3.14Å; K105-T107 VanDerWaalsContact C-N 3.27Å; K105-T107 PolarHBondContact O-N 2.66Å; T107-Q111 PolarHBondContact O-NE2 2.91Å; T107-R143 HydrophobicContact CG2-CG 4.37Å; T107-V144 HydrophobicContact CG2-CG2 4.24Å
108	Q	95.6	Very high	90.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-92.5	-38.4	-169.5	-51.4	-52.8	-70.2	0	0	113	L76 V78 G104 K105 Q111 W112 E147	L76-Q108 HydrophobicContact CD1-CG 3.89Å; V78-Q108 HydrophobicContact CG2-CB 3.88Å; V78-Q108 HydrophobicContact CG2-CG 3.82Å; G104-Q108 WeakPolarHBondContact O-CB 3.41Å; G104-Q108 WeakPolarHBondContact O-CG 3.38Å; G104-Q108 PolarHBondContact O-N 2.88Å; K105-Q108 PolarHBondContact O-N 2.8Å; Q108-Q111 WeakPolarHBondContact O-CB 3.44Å; Q108-Q111 PolarHBondContact O-N 3.36Å; Q108-Q111 VanDerWaalsContact O-N 3.14Å; Q108-W112 HydrophobicContact CB-CZ2 3.93Å; Q108-W112 PolarHBondContact O-N 2.62Å; Q108-W112 VanDerWaalsContact O-N 3.09Å; Q108-E147 PolarHBondContact NE2-OE2 2.85Å
109	I	97.3	Very high	90.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.9	-45.7	-175.1	-55.6	-64.4	0	0	0	111.5	F85 L97 K105 Q111 W112 C113 L197 V228 M230	F85-I109 HydrophobicContact CD2-CD1 4.34Å; F85-I109 HydrophobicContact CE1-CG2 4.09Å; F85-I109 HydrophobicContact CE2-CD1 4.47Å; F85-I109 HydrophobicContact CE2-CG2 3.67Å; F85-I109 HydrophobicContact CZ-CG2 3.43Å; F85-I109 VanDerWaalsContact CZ-CG2 3.43Å; L97-I109 HydrophobicContact CD1-CD1 3.58Å; L97-I109 HydrophobicContact CD1-CG1 3.96Å; K105-I109 HydrophobicContact CB-CG1 4.49Å; K105-I109 VanDerWaalsContact O-CB 3.25Å; K105-I109 WeakPolarHBondContact O-CB 3.27Å; K105-I109 VanDerWaalsContact O-CG1 3.22Å; K105-I109 WeakPolarHBondContact O-CG1 3.34Å; K105-I109 PolarHBondContact O-N 3.28Å; I109-Q111 VanDerWaalsContact C-N 3.29Å; I109-Q111 PolarHBondContact O-N 2.79Å; I109-W112 HydrophobicContact CD1-CE3 3.63Å; I109-W112 HydrophobicContact CD1-CH2 4.27Å; I109-W112 HydrophobicContact CD1-CZ3 3.44Å; I109-W112 VanDerWaalsContact CD1-CZ3 3.44Å; I109-W112 PolarHBondContact O-N 2.79Å; I109-W112 VanDerWaalsContact O-N 3.11Å; I109-C113 PolarHBondContact O-N 3.44Å; I109-C113 PolarHBondContact O-SG 2.87Å; I109-L197 HydrophobicContact CB-CD2 4.26Å; I109-L197 HydrophobicContact CG2-CD2 3.63Å; I109-V228 HydrophobicContact CG2-CG1 4.46Å; I109-M230 HydrophobicContact CB-SD 3.97Å; I109-M230 HydrophobicContact CG1-SD 4.11Å; I109-M230 HydrophobicContact CG2-SD 4.06Å
110	P	97.6	Very high	90	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-36.6	173.8	-27.8	37.8	0	0	0	113.9	K105 T106 C113 L114 V127 C129 M172 Y174 L197	K105-P110 WeakPolarHBondContact O-CD 3.48Å; T106-P110 WeakPolarHBondContact O-CD 3.48Å; T106-P110 WeakPolarHBondContact O-CG 3.23Å; P110-C113 PolarHBondContact O-N 2.75Å; P110-L114 PolarHBondContact O-N 3.49Å; P110-V127 HydrophobicContact CB-CG1 4.42Å; P110-C129 HydrophobicContact CB-CB 4.47Å; P110-C129 HydrophobicContact CG-CB 3.99Å; P110-M172 HydrophobicContact CB-CE 4.26Å; P110-M172 HydrophobicContact CB-CG 4.48Å; P110-M172 HydrophobicContact CB-SD 3.82Å; P110-M172 WeakPolarHBondContact O-CE 3.19Å; P110-Y174 WeakPolarHBondContact CB-OH 3.48Å; P110-Y174 HydrophobicContact CG-CE1 4.2Å; P110-Y174 WeakPolarHBondContact CG-OH 3.36Å; P110-L197 HydrophobicContact CB-CD1 4.48Å; P110-L197 HydrophobicContact CG-CD1 4.44Å; P110-L197 HydrophobicContact CG-CD2 4.01Å
111	Q	96.9	Very high	89.8	Confident	25 Å²	25	28.3 Å²	28.3	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-40.5	175.4	-68.7	177.2	67.4	0	0	111.6	T107 Q108 I109 L114 E115 V144 E147 M148 M172	T107-Q111 PolarHBondContact O-NE2 2.91Å; Q108-Q111 WeakPolarHBondContact O-CB 3.44Å; Q108-Q111 PolarHBondContact O-N 3.36Å; Q108-Q111 VanDerWaalsContact O-N 3.14Å; I109-Q111 VanDerWaalsContact C-N 3.29Å; I109-Q111 PolarHBondContact O-N 2.79Å; Q111-L114 PolarHBondContact O-N 2.91Å; Q111-E115 PolarHBondContact O-N 3.06Å; Q111-V144 HydrophobicContact CG-CG1 4.02Å; Q111-E147 PolarHBondContact NE2-OE2 2.9Å; Q111-M148 HydrophobicContact CG-CG 4.08Å; Q111-M148 HydrophobicContact CG-SD 3.98Å; Q111-M172 HydrophobicContact CB-CE 4.38Å; Q111-M172 HydrophobicContact CG-CE 3.98Å
112	W	96.7	Very high	89.5	Confident	5 Å²	5	33.9 Å²	33.9	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-70.7	-38	175.9	-55.9	-13.8	0	0	0	112	V78 W79 K82 F85 F86 Q108 I109 L114 E115 W116	V78-W112 HydrophobicContact CB-CH2 3.92Å; V78-W112 HydrophobicContact CB-CZ3 4.49Å; V78-W112 HydrophobicContact CG2-CH2 3.97Å; V78-W112 HydrophobicContact CG2-CZ2 4.38Å; V78-W112 VanDerWaalsContact O-CH2 3.27Å; V78-W112 WeakPolarHBondContact O-CH2 3.49Å; W79-W112 HydrophobicContact CD2-CZ2 4.08Å; W79-W112 HydrophobicContact CG-CZ2 4.04Å; K82-W112 HydrophobicContact CB-CD2 4.45Å; K82-W112 HydrophobicContact CB-CE3 4.35Å; K82-W112 HydrophobicContact CB-CH2 3.83Å; K82-W112 HydrophobicContact CB-CZ2 3.92Å; K82-W112 HydrophobicContact CB-CZ3 4.04Å; K82-W112 HydrophobicContact CD-CD2 4.18Å; K82-W112 HydrophobicContact CD-CG 4.43Å; K82-W112 HydrophobicContact CD-CZ2 4.09Å; K82-W112 HydrophobicContact CG-CD2 3.86Å; K82-W112 HydrophobicContact CG-CE3 4.11Å; K82-W112 HydrophobicContact CG-CG 4.38Å; K82-W112 HydrophobicContact CG-CH2 4.28Å; K82-W112 HydrophobicContact CG-CZ2 4.03Å; K82-W112 HydrophobicContact CG-CZ3 4.31Å; F85-W112 HydrophobicContact CB-CE3 4.21Å; F85-W112 HydrophobicContact CB-CZ3 4.3Å; F85-W112 HydrophobicContact CD1-CB 4.21Å; F85-W112 AromaticContact CD1-CE3 3.75Å; F85-W112 HydrophobicContact CD1-CE3 3.75Å; F85-W112 HydrophobicContact CE1-CB 4.13Å; F85-W112 HydrophobicContact CE1-CE3 4.42Å; F85-W112 HydrophobicContact CG-CE3 4.07Å; F85-W112 HydrophobicContact CG-CZ3 4.48Å; F86-W112 HydrophobicContact CE1-CB 4.15Å; F86-W112 VanDerWaalsContact CE1-O 3.3Å; F86-W112 WeakPolarHBondContact CE1-O 3.48Å; F86-W112 HydrophobicContact CZ-CB 4Å; Q108-W112 HydrophobicContact CB-CZ2 3.93Å; Q108-W112 PolarHBondContact O-N 2.62Å; Q108-W112 VanDerWaalsContact O-N 3.09Å; I109-W112 HydrophobicContact CD1-CE3 3.63Å; I109-W112 HydrophobicContact CD1-CH2 4.27Å; I109-W112 HydrophobicContact CD1-CZ3 3.44Å; I109-W112 VanDerWaalsContact CD1-CZ3 3.44Å; I109-W112 PolarHBondContact O-N 2.79Å; I109-W112 VanDerWaalsContact O-N 3.11Å; W112-L114 VanDerWaalsContact C-N 3.27Å; W112-L114 PolarHBondContact O-N 3.14Å; W112-E115 WeakPolarHBondContact O-CB 3.19Å; W112-E115 PolarHBondContact O-N 3.19Å; W112-W116 PolarHBondContact O-N 2.79Å
113	C	96.8	Very high	89.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-41.2	171.3	-66.6	0	0	0	0	111.4	I109 P110 W116 V117 V127 V195 L197	I109-C113 PolarHBondContact O-N 3.44Å; I109-C113 PolarHBondContact O-SG 2.87Å; P110-C113 PolarHBondContact O-N 2.75Å; C113-W116 WeakPolarHBondContact O-CB 3.34Å; C113-W116 PolarHBondContact O-N 3.21Å; C113-V117 VanDerWaalsContact O-CG2 3.28Å; C113-V117 WeakPolarHBondContact O-CG2 3.42Å; C113-V117 PolarHBondContact O-N 3.02Å; C113-V127 HydrophobicContact CB-CG1 3.99Å; C113-V127 HydrophobicContact CB-CG2 4.09Å; C113-V195 HydrophobicContact CB-CB 4.13Å; C113-V195 HydrophobicContact CB-CG1 3.95Å; C113-V195 HydrophobicContact CB-CG2 4.16Å; C113-L197 HydrophobicContact CB-CD1 4.46Å
114	L	95.1	Very high	89.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-40.7	177.1	179.2	63.2	0	0	0	111.9	Y57 P110 Q111 W112 W116 V117 T118 V127 M148 V171 M172	Y57-L114 HydrophobicContact CE1-CD2 3.84Å; Y57-L114 HydrophobicContact CE1-CG 4.23Å; P110-L114 PolarHBondContact O-N 3.49Å; Q111-L114 PolarHBondContact O-N 2.91Å; W112-L114 VanDerWaalsContact C-N 3.27Å; W112-L114 PolarHBondContact O-N 3.14Å; L114-W116 VanDerWaalsContact C-N 3.29Å; L114-W116 PolarHBondContact O-N 3.25Å; L114-V117 PolarHBondContact O-N 3.47Å; L114-T118 WeakPolarHBondContact O-CB 3.34Å; L114-T118 PolarHBondContact O-N 2.86Å; L114-T118 PolarHBondContact O-OG1 2.98Å; L114-V127 HydrophobicContact CB-CG2 4.05Å; L114-V127 HydrophobicContact CD1-CG2 4.35Å; L114-M148 HydrophobicContact CD2-CE 3.47Å; L114-M148 VanDerWaalsContact CD2-CE 3.47Å; L114-M148 HydrophobicContact CD2-SD 4.4Å; L114-V171 HydrophobicContact CD1-CB 3.8Å; L114-V171 HydrophobicContact CD1-CG2 3.88Å; L114-V171 HydrophobicContact CD2-CG2 3.82Å; L114-M172 HydrophobicContact CB-CE 3.77Å; L114-M172 HydrophobicContact CD2-CB 4.46Å; L114-M172 HydrophobicContact CD2-CE 3.67Å; L114-M172 HydrophobicContact CG-CE 4.36Å
115	E	93.3	Very high	89.5	Confident	94 Å²	94	43.5 Å²	43.5	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-43.9	171.6	-172.3	-178.7	163.2	0	0	110.8	K82 F86 Q111 W112 G119	K82-E115 IonicContact NZ-OE1 2.69Å; K82-E115 IonicContact NZ-OE2 3.69Å; K82-E115 PolarHBondContact NZ-OE2 3.42Å; F86-E115 HydrophobicContact CZ-CB 4.21Å; F86-E115 HydrophobicContact CZ-CG 4.14Å; Q111-E115 PolarHBondContact O-N 3.06Å; W112-E115 WeakPolarHBondContact O-CB 3.19Å; W112-E115 PolarHBondContact O-N 3.19Å; E115-G119 PolarHBondContact O-N 3.15Å
116	W	93.6	Very high	89.6	Confident	15 Å²	15	43.9 Å²	43.9	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-44	177.9	-171.8	95.3	0	0	0	113.1	F86 L89 S90 W112 C113 L114 R120 Y121 V195 K226	F86-W116 HydrophobicContact CD1-CB 4.27Å; F86-W116 AromaticContact CD1-CD1 3.97Å; F86-W116 HydrophobicContact CE1-CB 3.97Å; L89-W116 HydrophobicContact CD2-CB 4.07Å; L89-W116 HydrophobicContact CD2-CD2 4.01Å; L89-W116 HydrophobicContact CD2-CG 3.76Å; L89-W116 HydrophobicContact CG-CD2 4.46Å; S90-W116 PolarHBondContact OG-NE1 2.7Å; W112-W116 PolarHBondContact O-N 2.79Å; C113-W116 WeakPolarHBondContact O-CB 3.34Å; C113-W116 PolarHBondContact O-N 3.21Å; L114-W116 VanDerWaalsContact C-N 3.29Å; L114-W116 PolarHBondContact O-N 3.25Å; W116-R120 VanDerWaalsContact CD1-CZ 3.49Å; W116-R120 VanDerWaalsContact CE2-CD 3.43Å; W116-R120 VanDerWaalsContact CZ2-CD 3.44Å; W116-R120 PolarHBondContact O-NH1 2.94Å; W116-Y121 HydrophobicContact CE3-CE2 4.37Å; W116-Y121 AromaticContact CZ3-CE2 3.71Å; W116-Y121 HydrophobicContact CZ3-CE2 3.71Å; W116-V195 HydrophobicContact CE3-CG2 4.17Å; W116-V195 HydrophobicContact CZ3-CG2 4.4Å; W116-K226 HydrophobicContact CH2-CD 4.31Å; W116-K226 HydrophobicContact CH2-CG 3.74Å; W116-K226 HydrophobicContact CZ2-CG 4.39Å; W116-K226 HydrophobicContact CZ3-CG 3.88Å
117	V	91.5	Very high	89.9	Confident	3 Å²	3	43 Å²	43	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-48.9	179.9	168.1	0	0	0	0	111.1	C113 L114 G119 R120 Y121 K125 V127 V195	C113-V117 VanDerWaalsContact O-CG2 3.28Å; C113-V117 WeakPolarHBondContact O-CG2 3.42Å; C113-V117 PolarHBondContact O-N 3.02Å; L114-V117 PolarHBondContact O-N 3.47Å; V117-G119 PolarHBondContact O-N 3.06Å; V117-R120 PolarHBondContact O-N 2.91Å; V117-Y121 HydrophobicContact CB-CD2 4.24Å; V117-Y121 HydrophobicContact CB-CE2 4.39Å; V117-Y121 HydrophobicContact CG1-CD2 3.74Å; V117-Y121 HydrophobicContact CG1-CE2 4.19Å; V117-Y121 HydrophobicContact CG2-CD2 4.43Å; V117-Y121 HydrophobicContact CG2-CE2 4.1Å; V117-Y121 PolarHBondContact O-N 3.3Å; V117-Y121 VanDerWaalsContact O-N 3.12Å; V117-K125 HydrophobicContact CG1-CB 4.08Å; V117-K125 WeakPolarHBondContact CG1-O 3.28Å; V117-V127 HydrophobicContact CG2-CG2 4.09Å; V117-V195 HydrophobicContact CG2-CB 4.45Å; V117-V195 HydrophobicContact CG2-CG2 3.51Å
118	T	86.1	Confident	90.1	Very high	91 Å²	91	41.9 Å²	41.9	56%	0.558	23%	0.23	S	C	*	.	H	α-helix	trans	-60.6	-30.5	-175.8	-52.3	0	0	0	0	111.9	L114	L114-T118 WeakPolarHBondContact O-CB 3.34Å; L114-T118 PolarHBondContact O-N 2.86Å; L114-T118 PolarHBondContact O-OG1 2.98Å
119	G	80.6	Confident	90.2	Very high	66 Å²	66	41.9 Å²	41.9	68%	0.68	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-7	178.1	0	0	0	0	0	115.7	E115 V117	E115-G119 PolarHBondContact O-N 3.15Å; V117-G119 PolarHBondContact O-N 3.06Å
120	R	82.9	Confident	90.3	Very high	134 Å²	134	41.8 Å²	41.8	51%	0.506	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-38.7	-167.5	-75.9	-178	174.2	75.8	-4.1	115.6	S90 W116 V117	S90-R120 PolarHBondContact OG-NH2 3.39Å; W116-R120 VanDerWaalsContact CD1-CZ 3.49Å; W116-R120 VanDerWaalsContact CE2-CD 3.43Å; W116-R120 VanDerWaalsContact CZ2-CD 3.44Å; W116-R120 PolarHBondContact O-NH1 2.94Å; V117-R120 PolarHBondContact O-N 2.91Å
121	Y	76.6	Confident	90.1	Very high	40 Å²	40	41.8 Å²	41.8	16%	0.157	23%	0.23	C	C	.	.			trans	-85.5	130.7	-178.7	-65	-92.4	0	0	0	110.4	W116 V117 T123 K125 G194 D224	W116-Y121 HydrophobicContact CE3-CE2 4.37Å; W116-Y121 AromaticContact CZ3-CE2 3.71Å; W116-Y121 HydrophobicContact CZ3-CE2 3.71Å; V117-Y121 HydrophobicContact CB-CD2 4.24Å; V117-Y121 HydrophobicContact CB-CE2 4.39Å; V117-Y121 HydrophobicContact CG1-CD2 3.74Å; V117-Y121 HydrophobicContact CG1-CE2 4.19Å; V117-Y121 HydrophobicContact CG2-CD2 4.43Å; V117-Y121 HydrophobicContact CG2-CE2 4.1Å; V117-Y121 PolarHBondContact O-N 3.3Å; V117-Y121 VanDerWaalsContact O-N 3.12Å; Y121-T123 VanDerWaalsContact C-N 3.26Å; Y121-T123 VanDerWaalsContact CB-O 3.26Å; Y121-T123 WeakPolarHBondContact CB-O 2.97Å; Y121-K125 HydrophobicContact CD1-CD 3.77Å; Y121-K125 HydrophobicContact CD1-CG 4.09Å; Y121-K125 HydrophobicContact CE1-CD 3.83Å; Y121-K125 HydrophobicContact CG-CB 4.43Å; Y121-K125 HydrophobicContact CG-CD 4.27Å; Y121-K125 HydrophobicContact CG-CG 4.16Å; Y121-G194 PolarHBondContact OH-O 3.35Å; Y121-D224 HydrophobicContact CE1-CB 4.33Å; Y121-D224 PolarHBondContact OH-O 3.14Å
122	P	70	Confident	89.9	Confident	132 Å²	132	42 Å²	42	86%	0.857	23%	0.233	S	C	*	.	S	Bend	trans	-70.2	-28.1	173.8	27.2	-32.4	0	0	0	111.7
123	T	76.5	Confident	89.4	Confident	93 Å²	93	43.7 Å²	43.7	57%	0.571	24%	0.239	S	C	*	.	S	Bend	trans	-100	150	174.6	53.1	0	0	0	0	110.6	Y121 K125	Y121-T123 VanDerWaalsContact C-N 3.26Å; Y121-T123 VanDerWaalsContact CB-O 3.26Å; Y121-T123 WeakPolarHBondContact CB-O 2.97Å; T123-K125 PolarHBondContact O-N 3.09Å
124	K	82.4	Confident	88.9	Confident	131 Å²	131	49.7 Å²	49.7	57%	0.57	26%	0.262	S	S	*	.			trans	-63.1	110.1	177	-176.2	-177.6	-179.2	175.7	0	109.6	S168 R169 V171	K124-S168 PolarHBondContact NZ-O 2.79Å; K124-R169 VanDerWaalsContact NZ-C 3.34Å; K124-R169 PolarHBondContact NZ-O 2.66Å; K124-R169 VanDerWaalsContact NZ-O 3.08Å; K124-V171 HydrophobicContact CG-CG1 4.5Å
125	K	91.4	Very high	88.4	Confident	33 Å²	33	50.9 Å²	50.9	14%	0.143	27%	0.269	C	S	.	.			trans	-112.6	148.4	165.7	-65	-148.6	176.4	-165.8	0	110.5	V117 Y121 T123 E191 D224	V117-K125 HydrophobicContact CG1-CB 4.08Å; V117-K125 WeakPolarHBondContact CG1-O 3.28Å; Y121-K125 HydrophobicContact CD1-CD 3.77Å; Y121-K125 HydrophobicContact CD1-CG 4.09Å; Y121-K125 HydrophobicContact CE1-CD 3.83Å; Y121-K125 HydrophobicContact CG-CB 4.43Å; Y121-K125 HydrophobicContact CG-CD 4.27Å; Y121-K125 HydrophobicContact CG-CG 4.16Å; T123-K125 PolarHBondContact O-N 3.09Å; K125-E191 PolarHBondContact NZ-O 2.95Å; K125-D224 IonicContact NZ-OD2 2.65Å; K125-D224 PolarHBondContact NZ-OD2 3.22Å
126	A	95.1	Very high	88.1	Confident	15 Å²	15	46.4 Å²	46.4	12%	0.124	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	170.2	178.5	0	0	0	0	0	112.2	V171 A192 Y193 G194	A126-V171 CarbonylContact C-O 3.59Å; A126-V171 VanDerWaalsContact CA-O 3.24Å; A126-V171 WeakPolarHBondContact CA-O 3.26Å; A126-V171 WeakPolarHBondContact CB-O 3.36Å; A126-A192 PolarHBondContact N-O 2.72Å; A126-Y193 HydrophobicContact CB-CD1 3.88Å; A126-Y193 HydrophobicContact CB-CE1 4.06Å; A126-Y193 WeakPolarHBondContact O-CA 3.41Å; A126-G194 PolarHBondContact O-N 3.4Å
127	V	97.8	Very high	88	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.3	169.5	178.6	0	0	0	0	108.7	P110 C113 L114 V117 V171 M172 K173 V195 L197	P110-V127 HydrophobicContact CB-CG1 4.42Å; C113-V127 HydrophobicContact CB-CG1 3.99Å; C113-V127 HydrophobicContact CB-CG2 4.09Å; L114-V127 HydrophobicContact CB-CG2 4.05Å; L114-V127 HydrophobicContact CD1-CG2 4.35Å; V117-V127 HydrophobicContact CG2-CG2 4.09Å; V127-V171 PolarHBondContact N-O 3.38Å; V127-M172 WeakPolarHBondContact O-CA 3.45Å; V127-K173 PolarHBondContact O-N 3.38Å; V127-V195 WeakPolarHBondContact CA-O 3.36Å; V127-V195 HydrophobicContact CG1-CB 4.49Å; V127-V195 HydrophobicContact CG2-CB 4.4Å; V127-L197 HydrophobicContact CG1-CD1 3.29Å
128	A	98.3	Very high	87.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.9	171	0	0	0	0	0	109.7	K173 M175 L180 Y193 V195 I196 L197	A128-K173 WeakPolarHBondContact CA-O 3.36Å; A128-M175 HydrophobicContact CB-SD 4.33Å; A128-L180 HydrophobicContact CB-CD1 4.45Å; A128-Y193 HydrophobicContact CB-CD1 3.63Å; A128-Y193 HydrophobicContact CB-CE1 3.64Å; A128-Y193 HydrophobicContact CB-CG 4.09Å; A128-V195 PolarHBondContact N-O 3.3Å; A128-I196 HydrophobicContact CB-CG1 4.3Å; A128-I196 CarbonylContact O-C 3.42Å; A128-L197 VanDerWaalsContact O-CD1 3.25Å; A128-L197 WeakPolarHBondContact O-CD1 3.39Å; A128-L197 PolarHBondContact O-N 3.17Å
129	C	98.3	Very high	88	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.3	169.9	-174.1	0	0	0	0	108.9	P110 K173 Y174 M175 L197	P110-C129 HydrophobicContact CB-CB 4.47Å; P110-C129 HydrophobicContact CG-CB 3.99Å; C129-K173 PolarHBondContact N-O 2.69Å; C129-Y174 HydrophobicContact CB-CD1 3.7Å; C129-Y174 HydrophobicContact CB-CE1 3.66Å; C129-Y174 HydrophobicContact CB-CG 4.5Å; C129-Y174 WeakPolarHBondContact O-CA 3.48Å; C129-M175 PolarHBondContact O-N 2.6Å; C129-L197 HydrophobicContact CB-CB 4.32Å; C129-L197 HydrophobicContact CB-CD1 4.33Å
130	T	98	Very high	88.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	147.9	-179	80.4	0	0	0	0	110.8	M175 D177 L180 L197 L198 D199 L211	T130-M175 CarbonylContact C-O 3.58Å; T130-M175 WeakPolarHBondContact CA-O 3.25Å; T130-D177 WeakPolarHBondContact CB-OD1 3.19Å; T130-D177 PolarHBondContact OG1-OD1 2.91Å; T130-L180 HydrophobicContact CG2-CB 4.13Å; T130-L180 HydrophobicContact CG2-CD2 3.49Å; T130-L180 VanDerWaalsContact CG2-CD2 3.49Å; T130-L180 HydrophobicContact CG2-CG 4.45Å; T130-L197 PolarHBondContact N-O 2.91Å; T130-L198 HydrophobicContact CG2-CD2 3.99Å; T130-D199 WeakPolarHBondContact O-CB 3.39Å; T130-D199 PolarHBondContact O-N 2.92Å; T130-L211 HydrophobicContact CG2-CD1 4.31Å
131	Q	94.9	Very high	89.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.7	174	-65.3	-68.7	-54.8	0	0	108.1	T106 R133 A136 A137 M175 T176 D177 D199	T106-Q131 VanDerWaalsContact CG2-NE2 3.29Å; Q131-R133 PolarHBondContact O-N 3.31Å; Q131-R133 VanDerWaalsContact O-N 3.09Å; Q131-A136 HydrophobicContact CB-CB 4.22Å; Q131-A136 HydrophobicContact CG-CB 4.37Å; Q131-A137 HydrophobicContact CB-CB 4.1Å; Q131-A137 HydrophobicContact CG-CB 4.29Å; Q131-M175 PolarHBondContact N-O 3.11Å; Q131-T176 VanDerWaalsContact O-CA 3.27Å; Q131-T176 WeakPolarHBondContact O-CA 3.22Å; Q131-D177 VanDerWaalsContact C-OD1 3.25Å; Q131-D177 PolarHBondContact N-OD1 3.14Å; Q131-D199 PolarHBondContact NE2-OD2 3.05Å
132	P	91.2	Very high	89.8	Confident	28 Å²	28	37.4 Å²	37.4	18%	0.182	20%	0.195	C	C	.	.	S	Bend	trans	-55.8	-31.8	176.2	-31.7	38.4	0	0	0	113.7	E200 E203 T205	P132-E200 HydrophobicContact CG-CB 4.08Å; P132-E203 WeakPolarHBondContact CB-OE2 3.42Å; P132-E203 HydrophobicContact CG-CB 4.16Å; P132-E203 HydrophobicContact CG-CG 4.29Å; P132-T205 HydrophobicContact CB-CG2 3.8Å; P132-T205 HydrophobicContact CG-CG2 4.3Å
133	R	87	Confident	90.8	Very high	42 Å²	42	35.5 Å²	35.5	16%	0.158	17%	0.171	C	C	.	.	S	Bend	trans	-111.3	132.4	-171.7	-55.4	-178.6	-169.6	-122.7	23.6	111.9	Q131 V135 A136 A137 E203 N361 T365	Q131-R133 PolarHBondContact O-N 3.31Å; Q131-R133 VanDerWaalsContact O-N 3.09Å; R133-V135 VanDerWaalsContact C-N 3.3Å; R133-V135 PolarHBondContact O-N 2.92Å; R133-A136 HydrophobicContact CB-CB 4.16Å; R133-A136 WeakPolarHBondContact O-CB 3.27Å; R133-A136 PolarHBondContact O-N 3.34Å; R133-A136 VanDerWaalsContact O-N 3.12Å; R133-A137 PolarHBondContact O-N 3.17Å; R133-A137 VanDerWaalsContact O-N 3.11Å; R133-E203 IonicContact CZ-OE1 3.75Å; R133-E203 IonicContact NE-OE1 2.66Å; R133-E203 PolarHBondContact NE-OE1 3.07Å; R133-E203 IonicContact NE-OE2 2.6Å; R133-E203 IonicContact NH2-OE1 2.62Å; R133-E203 PolarHBondContact NH2-OE1 3.24Å; R133-N361 VanDerWaalsContact CZ-O 3.25Å; R133-N361 PolarHBondContact NH1-O 3.01Å; R133-N361 PolarHBondContact NH1-OD1 3.01Å; R133-N361 PolarHBondContact NH2-O 2.95Å; R133-T365 PolarHBondContact NE-OG1 2.83Å; R133-T365 PolarHBondContact NH2-OG1 3.33Å
134	R	87.1	Confident	91.7	Very high	125 Å²	125	31.1 Å²	31.1	47%	0.472	14%	0.144	S	C	.	.	H	α-helix	trans	-52.1	-46.1	176.2	-67.9	178.4	65.5	-171.5	-0.3	112.9	A136 A137 M138 I160 T176	R134-A136 VanDerWaalsContact C-N 3.31Å; R134-A136 PolarHBondContact O-N 2.9Å; R134-A137 PolarHBondContact O-N 3.44Å; R134-M138 WeakPolarHBondContact O-CG 3.48Å; R134-M138 PolarHBondContact O-N 3.35Å; R134-I160 HydrophobicContact CB-CD1 4.3Å; R134-I160 HydrophobicContact CB-CG2 4.45Å; R134-I160 HydrophobicContact CG-CB 4.27Å; R134-I160 HydrophobicContact CG-CD1 4.5Å; R134-I160 HydrophobicContact CG-CG2 4.42Å; R134-T176 HydrophobicContact CB-CG2 4.49Å; R134-T176 HydrophobicContact CG-CG2 3.86Å
135	V	83.2	Confident	92.4	Very high	26 Å²	26	25 Å²	25	16%	0.158	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-38.6	-178	-174.5	0	0	0	0	111.5	R133 S139 I362 L367	R133-V135 VanDerWaalsContact C-N 3.3Å; R133-V135 PolarHBondContact O-N 2.92Å; V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.4Å; V135-S139 PolarHBondContact O-N 2.96Å; V135-S139 PolarHBondContact O-OG 3.39Å; V135-I362 HydrophobicContact CB-CD1 4.41Å; V135-I362 HydrophobicContact CG2-CD1 3.89Å; V135-L367 HydrophobicContact CG1-CD1 4.31Å; V135-L367 HydrophobicContact CG1-CD2 4.33Å
136	A	87.3	Confident	92.6	Very high	1 Å²	1	26 Å²	26	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-47.8	176.3	0	0	0	0	0	110.6	Q131 R133 R134 M138 S139 V140	Q131-A136 HydrophobicContact CB-CB 4.22Å; Q131-A136 HydrophobicContact CG-CB 4.37Å; R133-A136 HydrophobicContact CB-CB 4.16Å; R133-A136 WeakPolarHBondContact O-CB 3.27Å; R133-A136 PolarHBondContact O-N 3.34Å; R133-A136 VanDerWaalsContact O-N 3.12Å; R134-A136 VanDerWaalsContact C-N 3.31Å; R134-A136 PolarHBondContact O-N 2.9Å; A136-M138 PolarHBondContact O-N 3.03Å; A136-S139 PolarHBondContact O-N 3.38Å; A136-S139 PolarHBondContact O-OG 2.91Å; A136-V140 WeakPolarHBondContact O-CB 3.47Å; A136-V140 VanDerWaalsContact O-CG2 3.25Å; A136-V140 WeakPolarHBondContact O-CG2 3.24Å; A136-V140 PolarHBondContact O-N 3.46Å
137	A	91.6	Very high	92.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.4	-48.5	176.4	0	0	0	0	0	112.3	Q131 R133 R134 A141 I160	Q131-A137 HydrophobicContact CB-CB 4.1Å; Q131-A137 HydrophobicContact CG-CB 4.29Å; R133-A137 PolarHBondContact O-N 3.17Å; R133-A137 VanDerWaalsContact O-N 3.11Å; R134-A137 PolarHBondContact O-N 3.44Å; A137-A141 WeakPolarHBondContact O-CB 3.3Å; A137-A141 PolarHBondContact O-N 3.18Å; A137-I160 HydrophobicContact CB-CG2 4.08Å
138	M	90	Very high	92.5	Very high	34 Å²	34	25.9 Å²	25.9	17%	0.167	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-50.3	-179.8	-64.7	172.5	79.5	0	0	112.4	R134 A136 A141 Q142 Y158 I160 P333	R134-M138 WeakPolarHBondContact O-CG 3.48Å; R134-M138 PolarHBondContact O-N 3.35Å; A136-M138 PolarHBondContact O-N 3.03Å; M138-A141 PolarHBondContact O-N 2.72Å; M138-Q142 PolarHBondContact O-N 3.43Å; M138-Y158 HydrophobicContact CE-CE2 4.25Å; M138-Y158 HydrophobicContact CG-CD2 3.87Å; M138-Y158 HydrophobicContact CG-CE1 4.47Å; M138-Y158 HydrophobicContact CG-CE2 3.75Å; M138-Y158 HydrophobicContact CG-CG 4.3Å; M138-I160 HydrophobicContact CG-CD1 3.9Å; M138-I160 HydrophobicContact SD-CD1 3.57Å; M138-I160 VanDerWaalsContact SD-CD1 3.57Å; M138-P333 HydrophobicContact CE-CB 4.5Å; M138-P333 HydrophobicContact CE-CG 4.29Å
139	S	86.7	Confident	92.4	Very high	38 Å²	38	27.6 Å²	27.6	27%	0.266	13%	0.129	S	C	.	.	H	α-helix	trans	-67.5	-39.6	-175.5	58.4	0	0	0	0	112.5	V135 A136 R143	V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.4Å; V135-S139 PolarHBondContact O-N 2.96Å; V135-S139 PolarHBondContact O-OG 3.39Å; A136-S139 PolarHBondContact O-N 3.38Å; A136-S139 PolarHBondContact O-OG 2.91Å; S139-R143 WeakPolarHBondContact O-CB 3.4Å; S139-R143 PolarHBondContact O-N 3.21Å
140	V	91.6	Very high	92.3	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-67.8	-42.9	175.1	170.4	0	0	0	0	110.6	T106 A136 Q142 R143 V144 Y174	T106-V140 HydrophobicContact CG2-CB 4.28Å; T106-V140 HydrophobicContact CG2-CG1 3.7Å; T106-V140 HydrophobicContact CG2-CG2 3.71Å; A136-V140 WeakPolarHBondContact O-CB 3.47Å; A136-V140 VanDerWaalsContact O-CG2 3.25Å; A136-V140 WeakPolarHBondContact O-CG2 3.24Å; A136-V140 PolarHBondContact O-N 3.46Å; V140-Q142 VanDerWaalsContact C-N 3.33Å; V140-Q142 PolarHBondContact O-N 3.05Å; V140-R143 PolarHBondContact O-N 2.86Å; V140-V144 HydrophobicContact CG1-CG2 4.01Å; V140-V144 WeakPolarHBondContact O-CB 3.42Å; V140-V144 VanDerWaalsContact O-CG2 3.28Å; V140-V144 WeakPolarHBondContact O-CG2 3.49Å; V140-V144 PolarHBondContact O-N 3.46Å; V140-Y174 HydrophobicContact CB-CD1 4.37Å; V140-Y174 HydrophobicContact CB-CE1 4.37Å; V140-Y174 HydrophobicContact CG1-CD1 3.66Å; V140-Y174 HydrophobicContact CG1-CD2 4.44Å; V140-Y174 HydrophobicContact CG1-CE1 3.24Å; V140-Y174 HydrophobicContact CG1-CE2 4.1Å; V140-Y174 HydrophobicContact CG1-CG 4.25Å; V140-Y174 VanDerWaalsContact CG1-CZ 3.49Å
141	A	95	Very high	92.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-45.5	176.9	0	0	0	0	0	111.6	A137 M138 V144 S145 L152 V156 Y158 Y174	A137-A141 WeakPolarHBondContact O-CB 3.3Å; A137-A141 PolarHBondContact O-N 3.18Å; M138-A141 PolarHBondContact O-N 2.72Å; A141-V144 PolarHBondContact O-N 3.46Å; A141-S145 WeakPolarHBondContact O-CB 3.39Å; A141-S145 PolarHBondContact O-N 3.23Å; A141-L152 HydrophobicContact CB-CD1 3.82Å; A141-V156 WeakPolarHBondContact O-CG1 3.34Å; A141-Y158 HydrophobicContact CB-CD1 3.98Å; A141-Y158 HydrophobicContact CB-CG 4.37Å; A141-Y174 HydrophobicContact CB-CD2 3.89Å; A141-Y174 HydrophobicContact CB-CG 4.26Å
142	Q	93	Very high	92.3	Very high	75 Å²	75	36.2 Å²	36.2	35%	0.35	17%	0.171	S	C	.	.	H	α-helix	trans	-57.7	-51	173.2	177.9	60.4	50.3	0	0	110.7	M138 V140 V144 S145 E146 L152	M138-Q142 PolarHBondContact O-N 3.43Å; V140-Q142 VanDerWaalsContact C-N 3.33Å; V140-Q142 PolarHBondContact O-N 3.05Å; Q142-V144 VanDerWaalsContact C-N 3.32Å; Q142-V144 PolarHBondContact O-N 3.12Å; Q142-S145 PolarHBondContact O-N 3.03Å; Q142-S145 PolarHBondContact O-OG 3.31Å; Q142-E146 PolarHBondContact NE2-OE1 2.76Å; Q142-E146 PolarHBondContact O-N 3.06Å; Q142-E146 VanDerWaalsContact O-N 3.17Å; Q142-L152 HydrophobicContact CB-CD2 4.13Å
143	R	90.9	Very high	92.5	Very high	92 Å²	92	35.1 Å²	35.1	35%	0.347	17%	0.166	S	C	.	.	H	α-helix	trans	-57.3	-45	179.1	174.6	57.7	-174.4	-161.7	-3.6	112.2	T107 S139 V140 E146 E147	T107-R143 HydrophobicContact CG2-CG 4.37Å; S139-R143 WeakPolarHBondContact O-CB 3.4Å; S139-R143 PolarHBondContact O-N 3.21Å; V140-R143 PolarHBondContact O-N 2.86Å; R143-E146 WeakPolarHBondContact O-CB 3.29Å; R143-E146 PolarHBondContact O-N 2.8Å; R143-E147 IonicContact CZ-OE1 2.62Å; R143-E147 IonicContact NE-OE1 2.75Å; R143-E147 PolarHBondContact NE-OE1 2.84Å; R143-E147 IonicContact NH2-OE1 3.39Å; R143-E147 PolarHBondContact NH2-OE1 3.46Å; R143-E147 VanDerWaalsContact NH2-OE1 3.15Å; R143-E147 WeakPolarHBondContact O-CG 3.28Å; R143-E147 PolarHBondContact O-N 3.44Å
144	V	95.8	Very high	92.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-74.2	-31.6	-176.1	173.9	0	0	0	0	111.3	T107 Q111 V140 A141 Q142 E146 E147 M148 V156 M172 Y174	T107-V144 HydrophobicContact CG2-CG2 4.24Å; Q111-V144 HydrophobicContact CG-CG1 4.02Å; V140-V144 HydrophobicContact CG1-CG2 4.01Å; V140-V144 WeakPolarHBondContact O-CB 3.42Å; V140-V144 VanDerWaalsContact O-CG2 3.28Å; V140-V144 WeakPolarHBondContact O-CG2 3.49Å; V140-V144 PolarHBondContact O-N 3.46Å; A141-V144 PolarHBondContact O-N 3.46Å; Q142-V144 VanDerWaalsContact C-N 3.32Å; Q142-V144 PolarHBondContact O-N 3.12Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 2.89Å; V144-E147 PolarHBondContact O-N 2.71Å; V144-M148 HydrophobicContact CG1-CG 4.29Å; V144-M148 HydrophobicContact CG1-SD 3.99Å; V144-M148 WeakPolarHBondContact O-CB 3.26Å; V144-M148 WeakPolarHBondContact O-CG 3.41Å; V144-M148 PolarHBondContact O-N 3.02Å; V144-V156 HydrophobicContact CB-CG1 4.43Å; V144-V156 HydrophobicContact CG1-CG1 4.33Å; V144-V156 HydrophobicContact CG1-CG2 4.32Å; V144-M172 HydrophobicContact CG1-SD 3.72Å; V144-Y174 HydrophobicContact CB-CE2 3.96Å; V144-Y174 HydrophobicContact CG1-CE2 4.05Å; V144-Y174 HydrophobicContact CG2-CE2 4.11Å; V144-Y174 WeakPolarHBondContact CG2-OH 3.47Å
145	S	96.5	Very high	93.4	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-41	169.8	75.4	0	0	0	0	111.7	A141 Q142 M148 D149 V150	A141-S145 WeakPolarHBondContact O-CB 3.39Å; A141-S145 PolarHBondContact O-N 3.23Å; Q142-S145 PolarHBondContact O-N 3.03Å; Q142-S145 PolarHBondContact O-OG 3.31Å; S145-M148 PolarHBondContact O-N 3.1Å; S145-D149 PolarHBondContact O-N 2.85Å; S145-V150 CarbonylContact C-O 3.59Å; S145-V150 PolarHBondContact O-N 3.11Å
146	E	95.1	Very high	94.1	Very high	54 Å²	54	28.6 Å²	28.6	25%	0.252	14%	0.141	S	C	.	.	H	α-helix	trans	-69.3	-38.1	174.7	-64.6	175.8	-156.2	0	0	112.6	K65 L69 Q142 R143 V144 M148 D149	K65-E146 WeakPolarHBondContact CE-OE2 3.44Å; K65-E146 VanDerWaalsContact NZ-CD 3.35Å; K65-E146 IonicContact NZ-OE2 2.72Å; K65-E146 PolarHBondContact NZ-OE2 3.25Å; L69-E146 HydrophobicContact CD1-CB 4.17Å; Q142-E146 PolarHBondContact NE2-OE1 2.76Å; Q142-E146 PolarHBondContact O-N 3.06Å; Q142-E146 VanDerWaalsContact O-N 3.17Å; R143-E146 WeakPolarHBondContact O-CB 3.29Å; R143-E146 PolarHBondContact O-N 2.8Å; V144-E146 VanDerWaalsContact C-N 3.3Å; V144-E146 PolarHBondContact O-N 2.89Å; E146-M148 VanDerWaalsContact C-N 3.31Å; E146-D149 PolarHBondContact O-N 3.04Å
147	E	95.1	Very high	94.6	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-30.6	177.2	-75.3	-168.9	-174.7	0	0	113.2	Y66 L69 R73 Q108 Q111 R143 V144	Y66-E147 VanDerWaalsContact CD2-O 3.26Å; Y66-E147 WeakPolarHBondContact CD2-O 3.39Å; Y66-E147 VanDerWaalsContact CE2-O 3.31Å; Y66-E147 WeakPolarHBondContact CE2-O 3.33Å; L69-E147 HydrophobicContact CD1-CG 4.35Å; R73-E147 WeakPolarHBondContact CD-OE2 3.21Å; R73-E147 PolarHBondContact NH1-O 2.83Å; R73-E147 IonicContact NH1-OE2 3.15Å; R73-E147 PolarHBondContact NH2-O 2.81Å; R73-E147 VanDerWaalsContact NH2-O 3.15Å; Q108-E147 PolarHBondContact NE2-OE2 2.85Å; Q111-E147 PolarHBondContact NE2-OE2 2.9Å; R143-E147 IonicContact CZ-OE1 2.62Å; R143-E147 IonicContact NE-OE1 2.75Å; R143-E147 PolarHBondContact NE-OE1 2.84Å; R143-E147 IonicContact NH2-OE1 3.39Å; R143-E147 PolarHBondContact NH2-OE1 3.46Å; R143-E147 VanDerWaalsContact NH2-OE1 3.15Å; R143-E147 WeakPolarHBondContact O-CG 3.28Å; R143-E147 PolarHBondContact O-N 3.44Å; V144-E147 PolarHBondContact O-N 2.71Å
148	M	95.4	Very high	94.8	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.049	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.6	175.9	-70.4	-176.4	64.8	0	0	113.4	N55 Y57 Q111 L114 V144 S145 E146 V150 V156 M172	N55-M148 PolarHBondContact ND2-O 3.01Å; Y57-M148 HydrophobicContact CD2-CE 3.75Å; Y57-M148 HydrophobicContact CE1-CE 4.41Å; Y57-M148 HydrophobicContact CE2-CE 3.47Å; Y57-M148 VanDerWaalsContact CE2-CE 3.47Å; Y57-M148 HydrophobicContact CG-CE 4.33Å; Q111-M148 HydrophobicContact CG-CG 4.08Å; Q111-M148 HydrophobicContact CG-SD 3.98Å; L114-M148 HydrophobicContact CD2-CE 3.47Å; L114-M148 VanDerWaalsContact CD2-CE 3.47Å; L114-M148 HydrophobicContact CD2-SD 4.4Å; V144-M148 HydrophobicContact CG1-CG 4.29Å; V144-M148 HydrophobicContact CG1-SD 3.99Å; V144-M148 WeakPolarHBondContact O-CB 3.26Å; V144-M148 WeakPolarHBondContact O-CG 3.41Å; V144-M148 PolarHBondContact O-N 3.02Å; S145-M148 PolarHBondContact O-N 3.1Å; E146-M148 VanDerWaalsContact C-N 3.31Å; M148-V150 VanDerWaalsContact C-N 3.34Å; M148-V150 HydrophobicContact CB-CG2 4.04Å; M148-V150 PolarHBondContact O-N 3.38Å; M148-V156 HydrophobicContact CE-CG2 4.23Å; M148-V156 HydrophobicContact SD-CG2 3.45Å; M148-V156 WeakPolarHBondContact SD-CG2 3.35Å; M148-M172 HydrophobicContact CE-CE 4.4Å; M148-M172 HydrophobicContact SD-CE 3.66Å; M148-M172 HydrophobicContact SD-SD 4.28Å
149	D	96.5	Very high	95	Very high	36 Å²	36	27.9 Å²	27.9	19%	0.193	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	44.4	-179.3	-152	43.7	0	0	0	113	N55 N58 F62 S63 Y66 S145 E146	N55-D149 PolarHBondContact ND2-O 3.42Å; N58-D149 PolarHBondContact ND2-O 2.93Å; F62-D149 WeakPolarHBondContact CA-OD2 3.36Å; F62-D149 HydrophobicContact CD1-CB 4.06Å; F62-D149 HydrophobicContact CE1-CB 4.49Å; S63-D149 VanDerWaalsContact CB-OD1 3.29Å; S63-D149 WeakPolarHBondContact CB-OD1 3.37Å; S63-D149 PolarHBondContact N-OD2 3.22Å; S63-D149 VanDerWaalsContact OG-CG 3.32Å; S63-D149 PolarHBondContact OG-OD1 2.68Å; S63-D149 PolarHBondContact OG-OD2 3.37Å; Y66-D149 HydrophobicContact CD2-CB 3.95Å; Y66-D149 HydrophobicContact CG-CB 4.26Å; S145-D149 PolarHBondContact O-N 2.85Å; E146-D149 PolarHBondContact O-N 3.04Å
150	V	96.7	Very high	95.2	Very high	14 Å²	14	26.1 Å²	26.1	9%	0.085	12%	0.124	C	C	.	.			trans	-126	161.5	178.6	-62	0	0	0	0	111	S145 M148 E155 V156	S145-V150 CarbonylContact C-O 3.59Å; S145-V150 PolarHBondContact O-N 3.11Å; M148-V150 VanDerWaalsContact C-N 3.34Å; M148-V150 HydrophobicContact CB-CG2 4.04Å; M148-V150 PolarHBondContact O-N 3.38Å; V150-E155 HydrophobicContact CB-CB 4.36Å; V150-E155 HydrophobicContact CG1-CB 4.17Å; V150-E155 HydrophobicContact CG1-CG 4.46Å; V150-E155 HydrophobicContact CG2-CB 4.36Å; V150-V156 HydrophobicContact CG2-CB 4.08Å; V150-V156 HydrophobicContact CG2-CG2 3.77Å
151	E	95.8	Very high	94.9	Very high	128 Å²	128	29.8 Å²	29.8	60%	0.598	14%	0.136	S	C	*	.			trans	-81.4	133.6	176.6	-172.3	177.4	-179.2	0	0	110.3	G153 Q154	E151-G153 PolarHBondContact O-N 3.26Å; E151-Q154 HydrophobicContact CB-CG 3.94Å; E151-Q154 HydrophobicContact CG-CG 4.31Å; E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.47Å; E151-Q154 VanDerWaalsContact O-N 3.1Å
152	L	96	Very high	94.1	Very high	39 Å²	39	31.3 Å²	31.3	20%	0.204	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-60.1	134.7	176.7	-175.9	63.6	0	0	0	110.8	A141 Q142 Q154 Y158	A141-L152 HydrophobicContact CB-CD1 3.82Å; Q142-L152 HydrophobicContact CB-CD2 4.13Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Y158 HydrophobicContact CD1-CD1 4.22Å; L152-Y158 HydrophobicContact CD2-CD1 4.28Å; L152-Y158 HydrophobicContact CD2-CE1 3.92Å; L152-Y158 HydrophobicContact CG-CE1 4.41Å
153	G	95.7	Very high	93.7	Very high	6 Å²	6	31.4 Å²	31.4	6%	0.062	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-10	-175.1	0	0	0	0	0	114.1	E151 V156 C165 T166 S167	E151-G153 PolarHBondContact O-N 3.26Å; G153-V156 PolarHBondContact N-O 3.11Å; G153-C165 WeakPolarHBondContact CA-O 3.47Å; G153-T166 CarbonylContact O-C 3.57Å; G153-S167 VanDerWaalsContact O-CB 3.28Å; G153-S167 WeakPolarHBondContact O-CB 3.38Å; G153-S167 PolarHBondContact O-N 3.17Å; G153-S167 PolarHBondContact O-OG 3.18Å
154	Q	96.4	Very high	93.7	Very high	45 Å²	45	32 Å²	32	21%	0.21	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-104.4	174.1	-53.4	-54.4	-39.3	0	0	109.8	E151 L152 S167 R169 T170	E151-Q154 HydrophobicContact CB-CG 3.94Å; E151-Q154 HydrophobicContact CG-CG 4.31Å; E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.47Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; Q154-S167 PolarHBondContact O-OG 3.13Å; Q154-S167 PolarHBondContact OE1-OG 3.31Å; Q154-R169 VanDerWaalsContact CG-NH2 3.32Å; Q154-R169 CarbonylContact O-C 3.43Å; Q154-T170 WeakPolarHBondContact O-CA 3.5Å; Q154-T170 WeakPolarHBondContact O-CB 3.28Å; Q154-T170 PolarHBondContact O-N 3.35Å; Q154-T170 PolarHBondContact O-OG1 3.39Å
155	E	96.5	Very high	93.6	Very high	11 Å²	11	33.6 Å²	33.6	5%	0.051	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-34	-177.5	-63.9	76.6	-160.9	0	0	112.7	V150 R169 V171 M172	V150-E155 HydrophobicContact CB-CB 4.36Å; V150-E155 HydrophobicContact CG1-CB 4.17Å; V150-E155 HydrophobicContact CG1-CG 4.46Å; V150-E155 HydrophobicContact CG2-CB 4.36Å; E155-R169 IonicContact OE1-CZ 2.74Å; E155-R169 IonicContact OE1-NE 3.89Å; E155-R169 IonicContact OE1-NH1 3.6Å; E155-R169 PolarHBondContact OE1-NH1 2.84Å; E155-V171 HydrophobicContact CB-CG2 4.2Å; E155-V171 WeakPolarHBondContact O-CG2 3.45Å; E155-V171 PolarHBondContact O-N 3.27Å; E155-M172 PolarHBondContact O-N 3.33Å
156	V	97.9	Very high	93.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.7	169.5	177.7	0	0	0	0	108.5	A141 V144 M148 V150 G153 M172 Y174	A141-V156 WeakPolarHBondContact O-CG1 3.34Å; V144-V156 HydrophobicContact CB-CG1 4.43Å; V144-V156 HydrophobicContact CG1-CG1 4.33Å; V144-V156 HydrophobicContact CG1-CG2 4.32Å; M148-V156 HydrophobicContact CE-CG2 4.23Å; M148-V156 HydrophobicContact SD-CG2 3.45Å; M148-V156 WeakPolarHBondContact SD-CG2 3.35Å; V150-V156 HydrophobicContact CG2-CB 4.08Å; V150-V156 HydrophobicContact CG2-CG2 3.77Å; G153-V156 PolarHBondContact N-O 3.11Å; V156-M172 WeakPolarHBondContact CA-O 3.35Å; V156-M172 HydrophobicContact CG2-CB 4.32Å; V156-Y174 HydrophobicContact CG1-CD2 4.41Å; V156-Y174 HydrophobicContact CG1-CE2 4.41Å
157	G	97.5	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	179.7	179	0	0	0	0	0	112.8	C165 M172 Y174	G157-C165 CarbonylContact C-O 3.56Å; G157-C165 WeakPolarHBondContact CA-O 3.26Å; G157-M172 PolarHBondContact N-O 3.04Å; G157-Y174 PolarHBondContact O-N 3.22Å
158	Y	96.7	Very high	93.4	Very high	18 Å²	18	40.3 Å²	40.3	7%	0.071	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.6	171.5	67.6	-91.9	0	0	0	113.6	M138 A141 L152 I160 E163 C165 Y174	M138-Y158 HydrophobicContact CE-CE2 4.25Å; M138-Y158 HydrophobicContact CG-CD2 3.87Å; M138-Y158 HydrophobicContact CG-CE1 4.47Å; M138-Y158 HydrophobicContact CG-CE2 3.75Å; M138-Y158 HydrophobicContact CG-CG 4.3Å; A141-Y158 HydrophobicContact CB-CD1 3.98Å; A141-Y158 HydrophobicContact CB-CG 4.37Å; L152-Y158 HydrophobicContact CD1-CD1 4.22Å; L152-Y158 HydrophobicContact CD2-CD1 4.28Å; L152-Y158 HydrophobicContact CD2-CE1 3.92Å; L152-Y158 HydrophobicContact CG-CE1 4.41Å; Y158-I160 HydrophobicContact CD2-CG1 4.48Å; Y158-I160 HydrophobicContact CD2-CG2 4.27Å; Y158-I160 HydrophobicContact CE2-CD1 4.25Å; Y158-I160 HydrophobicContact CE2-CG1 4.44Å; Y158-E163 HydrophobicContact CE2-CG 3.97Å; Y158-E163 PolarHBondContact OH-OE1 3.12Å; Y158-C165 HydrophobicContact CD1-CB 3.8Å; Y158-C165 HydrophobicContact CD2-CB 4.17Å; Y158-C165 HydrophobicContact CE1-CB 3.35Å; Y158-C165 HydrophobicContact CE2-CB 3.78Å; Y158-C165 HydrophobicContact CG-CB 4.18Å; Y158-C165 PolarHBondContact N-O 3.07Å; Y158-C165 CarbonylContact O-C 3.5Å; Y158-C165 PolarHBondContact O-N 3.19Å; Y158-Y174 CarbonylContact C-O 3.35Å; Y158-Y174 WeakPolarHBondContact CA-O 3.47Å; Y158-Y174 WeakPolarHBondContact CB-O 3.5Å
159	S	94.8	Very high	93.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.9	175.6	-170.3	0	0	0	0	111	Y174 M175 T176 M179	S159-Y174 PolarHBondContact N-O 3.04Å; S159-M175 WeakPolarHBondContact O-CA 3.37Å; S159-M175 WeakPolarHBondContact O-CB 3.25Å; S159-T176 PolarHBondContact O-N 3.06Å; S159-M179 WeakPolarHBondContact OG-CE 3.48Å
160	I	90.8	Very high	93.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	164.6	177.9	66.8	-174.5	0	0	0	109.7	R134 A137 M138 Y158 F162 E163 T176	R134-I160 HydrophobicContact CB-CD1 4.3Å; R134-I160 HydrophobicContact CB-CG2 4.45Å; R134-I160 HydrophobicContact CG-CB 4.27Å; R134-I160 HydrophobicContact CG-CD1 4.5Å; R134-I160 HydrophobicContact CG-CG2 4.42Å; A137-I160 HydrophobicContact CB-CG2 4.08Å; M138-I160 HydrophobicContact CG-CD1 3.9Å; M138-I160 HydrophobicContact SD-CD1 3.57Å; M138-I160 VanDerWaalsContact SD-CD1 3.57Å; Y158-I160 HydrophobicContact CD2-CG1 4.48Å; Y158-I160 HydrophobicContact CD2-CG2 4.27Å; Y158-I160 HydrophobicContact CE2-CD1 4.25Å; Y158-I160 HydrophobicContact CE2-CG1 4.44Å; I160-F162 PolarHBondContact O-N 2.98Å; I160-F162 VanDerWaalsContact O-N 3.08Å; I160-E163 HydrophobicContact CD1-CB 4.14Å; I160-E163 WeakPolarHBondContact CD1-OE2 3.42Å; I160-E163 HydrophobicContact CG1-CB 3.71Å; I160-E163 HydrophobicContact CG1-CG 4.43Å; I160-E163 PolarHBondContact N-O 2.87Å; I160-E163 CarbonylContact O-C 3.6Å; I160-E163 PolarHBondContact O-N 3.42Å; I160-T176 HydrophobicContact CB-CG2 4.42Å; I160-T176 HydrophobicContact CG2-CG2 3.98Å
161	R	84	Confident	93.2	Very high	89 Å²	89	44.6 Å²	44.6	34%	0.336	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	123	178.5	-167.1	-177.6	175.8	179.7	-12.4	109.8	E163 M179 P505	R161-E163 VanDerWaalsContact C-N 3.34Å; R161-M179 HydrophobicContact CB-SD 4.35Å; R161-P505 VanDerWaalsContact CZ-O 3.22Å; R161-P505 PolarHBondContact NE-O 3.25Å; R161-P505 PolarHBondContact NH2-O 3.29Å
162	F	80.1	Confident	93.3	Very high	33 Å²	33	38.5 Å²	38.5	15%	0.145	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	11.1	-178	-44.6	-64.2	0	0	0	117.1	I160 P505 V599 Q602	I160-F162 PolarHBondContact O-N 2.98Å; I160-F162 VanDerWaalsContact O-N 3.08Å; F162-P505 HydrophobicContact CE1-CB 4.22Å; F162-P505 HydrophobicContact CE1-CG 3.65Å; F162-P505 HydrophobicContact CZ-CB 4.42Å; F162-P505 HydrophobicContact CZ-CG 4.17Å; F162-V599 HydrophobicContact CD1-CG2 3.97Å; F162-V599 HydrophobicContact CD2-CG2 3.64Å; F162-V599 HydrophobicContact CE1-CB 4.41Å; F162-V599 HydrophobicContact CE1-CG1 3.99Å; F162-V599 HydrophobicContact CE1-CG2 4.02Å; F162-V599 HydrophobicContact CE2-CG2 3.67Å; F162-V599 HydrophobicContact CG-CG2 3.79Å; F162-V599 HydrophobicContact CZ-CG1 3.97Å; F162-V599 HydrophobicContact CZ-CG2 3.87Å; F162-Q602 VanDerWaalsContact C-NE2 3.3Å; F162-Q602 VanDerWaalsContact CA-OE1 3.29Å; F162-Q602 VanDerWaalsContact CD1-OE1 3.29Å; F162-Q602 PolarHBondContact O-NE2 2.96Å
163	E	83.3	Confident	93.4	Very high	76 Å²	76	38.1 Å²	38.1	36%	0.355	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	119.5	176.2	-178.3	177.6	-174.3	0	0	110.7	Y158 I160 R161	Y158-E163 HydrophobicContact CE2-CG 3.97Å; Y158-E163 PolarHBondContact OH-OE1 3.12Å; I160-E163 HydrophobicContact CD1-CB 4.14Å; I160-E163 WeakPolarHBondContact CD1-OE2 3.42Å; I160-E163 HydrophobicContact CG1-CB 3.71Å; I160-E163 HydrophobicContact CG1-CG 4.43Å; I160-E163 PolarHBondContact N-O 2.87Å; I160-E163 CarbonylContact O-C 3.6Å; I160-E163 PolarHBondContact O-N 3.42Å; R161-E163 VanDerWaalsContact C-N 3.34Å
164	D	90.3	Very high	93.5	Very high	104 Å²	104	37.9 Å²	37.9	56%	0.556	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	108.3	179.9	-173.6	11.8	0	0	0	109.4	T166	D164-T166 WeakPolarHBondContact OD1-CB 3.09Å; D164-T166 VanDerWaalsContact OD1-CG2 3.29Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.46Å; D164-T166 PolarHBondContact OD1-OG1 2.95Å; D164-T166 PolarHBondContact OD2-OG1 2.96Å
165	C	93.7	Very high	93.6	Very high	35 Å²	35	35.7 Å²	35.7	24%	0.236	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	68.3	178	-171.8	0	0	0	0	108.2	G153 G157 Y158	G153-C165 WeakPolarHBondContact CA-O 3.47Å; G157-C165 CarbonylContact C-O 3.56Å; G157-C165 WeakPolarHBondContact CA-O 3.26Å; Y158-C165 HydrophobicContact CD1-CB 3.8Å; Y158-C165 HydrophobicContact CD2-CB 4.17Å; Y158-C165 HydrophobicContact CE1-CB 3.35Å; Y158-C165 HydrophobicContact CE2-CB 3.78Å; Y158-C165 HydrophobicContact CG-CB 4.18Å; Y158-C165 PolarHBondContact N-O 3.07Å; Y158-C165 CarbonylContact O-C 3.5Å; Y158-C165 PolarHBondContact O-N 3.19Å
166	T	95	Very high	93.5	Very high	42 Å²	42	35.9 Å²	35.9	26%	0.258	19%	0.189	S	C	.	.			trans	-139.4	166.8	178.3	66.8	0	0	0	0	110.8	G153 D164 T170 K173	G153-T166 CarbonylContact O-C 3.57Å; D164-T166 WeakPolarHBondContact OD1-CB 3.09Å; D164-T166 VanDerWaalsContact OD1-CG2 3.29Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.46Å; D164-T166 PolarHBondContact OD1-OG1 2.95Å; D164-T166 PolarHBondContact OD2-OG1 2.96Å; T166-T170 HydrophobicContact CG2-CG2 4.23Å; T166-K173 HydrophobicContact CG2-CD 4.34Å; T166-K173 HydrophobicContact CG2-CG 4.06Å
167	S	95.2	Very high	93.4	Very high	42 Å²	42	36 Å²	36	29%	0.294	19%	0.189	S	C	.	.			trans	-145.3	176.7	178.8	65.5	0	0	0	0	110.6	G153 Q154 R169 T170	G153-S167 VanDerWaalsContact O-CB 3.28Å; G153-S167 WeakPolarHBondContact O-CB 3.38Å; G153-S167 PolarHBondContact O-N 3.17Å; G153-S167 PolarHBondContact O-OG 3.18Å; Q154-S167 PolarHBondContact O-OG 3.13Å; Q154-S167 PolarHBondContact OE1-OG 3.31Å; S167-R169 PolarHBondContact O-N 3.45Å; S167-R169 PolarHBondContact OG-N 2.6Å; S167-T170 PolarHBondContact N-OG1 3.43Å; S167-T170 WeakPolarHBondContact O-CB 3.39Å; S167-T170 PolarHBondContact O-N 2.94Å; S167-T170 PolarHBondContact O-OG1 3.43Å; S167-T170 VanDerWaalsContact O-OG1 3.14Å
168	S	93.3	Very high	93.1	Very high	116 Å²	116	37.5 Å²	37.5	81%	0.811	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.2	172.6	59.2	0	0	0	0	113.4	K124	K124-S168 PolarHBondContact NZ-O 2.79Å
169	R	93.6	Very high	93	Very high	112 Å²	112	37.9 Å²	37.9	42%	0.423	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-19.1	176.9	-67.3	-164.6	-71.9	168.1	-19.2	113.5	K124 Q154 E155 S167 V171	K124-R169 VanDerWaalsContact NZ-C 3.34Å; K124-R169 PolarHBondContact NZ-O 2.66Å; K124-R169 VanDerWaalsContact NZ-O 3.08Å; Q154-R169 VanDerWaalsContact CG-NH2 3.32Å; Q154-R169 CarbonylContact O-C 3.43Å; E155-R169 IonicContact OE1-CZ 2.74Å; E155-R169 IonicContact OE1-NE 3.89Å; E155-R169 IonicContact OE1-NH1 3.6Å; E155-R169 PolarHBondContact OE1-NH1 2.84Å; S167-R169 PolarHBondContact O-N 3.45Å; S167-R169 PolarHBondContact OG-N 2.6Å; R169-V171 PolarHBondContact O-N 3.26Å
170	T	96.1	Very high	93	Very high	17 Å²	17	37.8 Å²	37.8	10%	0.104	21%	0.206	C	C	.	.			trans	-58.1	125.8	-174.2	-53	0	0	0	0	112.2	Q154 T166 S167 M172 K173	Q154-T170 WeakPolarHBondContact O-CA 3.5Å; Q154-T170 WeakPolarHBondContact O-CB 3.28Å; Q154-T170 PolarHBondContact O-N 3.35Å; Q154-T170 PolarHBondContact O-OG1 3.39Å; T166-T170 HydrophobicContact CG2-CG2 4.23Å; S167-T170 PolarHBondContact N-OG1 3.43Å; S167-T170 WeakPolarHBondContact O-CB 3.39Å; S167-T170 PolarHBondContact O-N 2.94Å; S167-T170 PolarHBondContact O-OG1 3.43Å; S167-T170 VanDerWaalsContact O-OG1 3.14Å; T170-M172 WeakPolarHBondContact CG2-O 3.48Å; T170-K173 HydrophobicContact CG2-CB 4.31Å
171	V	95.5	Very high	93	Very high	21 Å²	21	37.8 Å²	37.8	13%	0.127	21%	0.207	C	C	.	.	S	Bend	trans	-120.5	-16.8	176	-70.4	0	0	0	0	111.7	L114 K124 A126 V127 E155 R169	L114-V171 HydrophobicContact CD1-CB 3.8Å; L114-V171 HydrophobicContact CD1-CG2 3.88Å; L114-V171 HydrophobicContact CD2-CG2 3.82Å; K124-V171 HydrophobicContact CG-CG1 4.5Å; A126-V171 CarbonylContact C-O 3.59Å; A126-V171 VanDerWaalsContact CA-O 3.24Å; A126-V171 WeakPolarHBondContact CA-O 3.26Å; A126-V171 WeakPolarHBondContact CB-O 3.36Å; V127-V171 PolarHBondContact N-O 3.38Å; E155-V171 HydrophobicContact CB-CG2 4.2Å; E155-V171 WeakPolarHBondContact O-CG2 3.45Å; E155-V171 PolarHBondContact O-N 3.27Å; R169-V171 PolarHBondContact O-N 3.26Å
172	M	97.1	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.7	171.9	-171.9	-177.6	-56.9	0	0	109.5	P110 Q111 L114 V127 V144 M148 E155 V156 G157 T170 Y174	P110-M172 HydrophobicContact CB-CE 4.26Å; P110-M172 HydrophobicContact CB-CG 4.48Å; P110-M172 HydrophobicContact CB-SD 3.82Å; P110-M172 WeakPolarHBondContact O-CE 3.19Å; Q111-M172 HydrophobicContact CB-CE 4.38Å; Q111-M172 HydrophobicContact CG-CE 3.98Å; L114-M172 HydrophobicContact CB-CE 3.77Å; L114-M172 HydrophobicContact CD2-CB 4.46Å; L114-M172 HydrophobicContact CD2-CE 3.67Å; L114-M172 HydrophobicContact CG-CE 4.36Å; V127-M172 WeakPolarHBondContact O-CA 3.45Å; V144-M172 HydrophobicContact CG1-SD 3.72Å; M148-M172 HydrophobicContact CE-CE 4.4Å; M148-M172 HydrophobicContact SD-CE 3.66Å; M148-M172 HydrophobicContact SD-SD 4.28Å; E155-M172 PolarHBondContact O-N 3.33Å; V156-M172 WeakPolarHBondContact CA-O 3.35Å; V156-M172 HydrophobicContact CG2-CB 4.32Å; G157-M172 PolarHBondContact N-O 3.04Å; T170-M172 WeakPolarHBondContact CG2-O 3.48Å; M172-Y174 HydrophobicContact CG-CE2 4.12Å; M172-Y174 HydrophobicContact SD-CE2 3.73Å
173	K	98	Very high	93.8	Very high	31 Å²	31	36.9 Å²	36.9	14%	0.135	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.9	-177.4	-171.5	-170.8	-71.4	173.5	0	109.4	V127 A128 C129 T166 T170 M175 E183 Y193	V127-K173 PolarHBondContact O-N 3.38Å; A128-K173 WeakPolarHBondContact CA-O 3.36Å; C129-K173 PolarHBondContact N-O 2.69Å; T166-K173 HydrophobicContact CG2-CD 4.34Å; T166-K173 HydrophobicContact CG2-CG 4.06Å; T170-K173 HydrophobicContact CG2-CB 4.31Å; K173-M175 HydrophobicContact CD-CE 4.01Å; K173-M175 HydrophobicContact CD-SD 3.87Å; K173-M175 HydrophobicContact CG-SD 4.44Å; K173-E183 IonicContact NZ-OE1 3.55Å; K173-E183 PolarHBondContact NZ-OE1 2.92Å; K173-E183 IonicContact NZ-OE2 3.08Å; K173-Y193 PolarHBondContact NZ-OH 3.27Å
174	Y	98.3	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.3	166.1	-72.7	-87	0	0	0	109.3	T106 P110 C129 V140 A141 V144 V156 G157 Y158 S159 M172	T106-Y174 HydrophobicContact CG2-CE1 4.49Å; T106-Y174 PolarHBondContact O-OH 3.48Å; P110-Y174 WeakPolarHBondContact CB-OH 3.48Å; P110-Y174 HydrophobicContact CG-CE1 4.2Å; P110-Y174 WeakPolarHBondContact CG-OH 3.36Å; C129-Y174 HydrophobicContact CB-CD1 3.7Å; C129-Y174 HydrophobicContact CB-CE1 3.66Å; C129-Y174 HydrophobicContact CB-CG 4.5Å; C129-Y174 WeakPolarHBondContact O-CA 3.48Å; V140-Y174 HydrophobicContact CB-CD1 4.37Å; V140-Y174 HydrophobicContact CB-CE1 4.37Å; V140-Y174 HydrophobicContact CG1-CD1 3.66Å; V140-Y174 HydrophobicContact CG1-CD2 4.44Å; V140-Y174 HydrophobicContact CG1-CE1 3.24Å; V140-Y174 HydrophobicContact CG1-CE2 4.1Å; V140-Y174 HydrophobicContact CG1-CG 4.25Å; V140-Y174 VanDerWaalsContact CG1-CZ 3.49Å; A141-Y174 HydrophobicContact CB-CD2 3.89Å; A141-Y174 HydrophobicContact CB-CG 4.26Å; V144-Y174 HydrophobicContact CB-CE2 3.96Å; V144-Y174 HydrophobicContact CG1-CE2 4.05Å; V144-Y174 HydrophobicContact CG2-CE2 4.11Å; V144-Y174 WeakPolarHBondContact CG2-OH 3.47Å; V156-Y174 HydrophobicContact CG1-CD2 4.41Å; V156-Y174 HydrophobicContact CG1-CE2 4.41Å; G157-Y174 PolarHBondContact O-N 3.22Å; Y158-Y174 CarbonylContact C-O 3.35Å; Y158-Y174 WeakPolarHBondContact CA-O 3.47Å; Y158-Y174 WeakPolarHBondContact CB-O 3.5Å; S159-Y174 PolarHBondContact N-O 3.04Å; M172-Y174 HydrophobicContact CG-CE2 4.12Å; M172-Y174 HydrophobicContact SD-CE2 3.73Å
175	M	97.4	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.4	-176.2	63.2	-162.5	-48	0	0	111.9	A128 C129 T130 Q131 S159 K173 M179 L180 E183	A128-M175 HydrophobicContact CB-SD 4.33Å; C129-M175 PolarHBondContact O-N 2.6Å; T130-M175 CarbonylContact C-O 3.58Å; T130-M175 WeakPolarHBondContact CA-O 3.25Å; Q131-M175 PolarHBondContact N-O 3.11Å; S159-M175 WeakPolarHBondContact O-CA 3.37Å; S159-M175 WeakPolarHBondContact O-CB 3.25Å; K173-M175 HydrophobicContact CD-CE 4.01Å; K173-M175 HydrophobicContact CD-SD 3.87Å; K173-M175 HydrophobicContact CG-SD 4.44Å; M175-M179 HydrophobicContact CB-CB 4.42Å; M175-M179 HydrophobicContact CE-CB 3.75Å; M175-L180 HydrophobicContact CE-CB 4.12Å; M175-L180 HydrophobicContact CG-CB 4.27Å; M175-L180 HydrophobicContact SD-CB 3.85Å; M175-L180 HydrophobicContact SD-CD1 3.92Å; M175-L180 HydrophobicContact SD-CG 4.42Å; M175-E183 HydrophobicContact CE-CG 4.23Å; M175-E183 VanDerWaalsContact CE-OE1 3.28Å; M175-E183 WeakPolarHBondContact CE-OE1 3.25Å
176	T	95.5	Very high	93.5	Very high	15 Å²	15	32.1 Å²	32.1	9%	0.092	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.4	168.4	51.1	0	0	0	0	110.7	Q131 R134 S159 I160 G178 M179 L180	Q131-T176 VanDerWaalsContact O-CA 3.27Å; Q131-T176 WeakPolarHBondContact O-CA 3.22Å; R134-T176 HydrophobicContact CB-CG2 4.49Å; R134-T176 HydrophobicContact CG-CG2 3.86Å; S159-T176 PolarHBondContact O-N 3.06Å; I160-T176 HydrophobicContact CB-CG2 4.42Å; I160-T176 HydrophobicContact CG2-CG2 3.98Å; T176-G178 PolarHBondContact O-N 3.05Å; T176-M179 WeakPolarHBondContact O-CA 3.21Å; T176-M179 WeakPolarHBondContact O-CB 3.4Å; T176-M179 PolarHBondContact O-N 3.21Å; T176-M179 VanDerWaalsContact OG1-CG 3.29Å; T176-M179 WeakPolarHBondContact OG1-CG 3.38Å; T176-L180 PolarHBondContact O-N 3.17Å
177	D	94.4	Very high	93.3	Very high	3 Å²	3	32 Å²	32	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-47.6	-46.5	176.2	-59.1	12.8	0	0	0	111.6	T130 Q131 M179 L180 L181 A207 T208 L211	T130-D177 WeakPolarHBondContact CB-OD1 3.19Å; T130-D177 PolarHBondContact OG1-OD1 2.91Å; Q131-D177 VanDerWaalsContact C-OD1 3.25Å; Q131-D177 PolarHBondContact N-OD1 3.14Å; D177-M179 PolarHBondContact O-N 3.27Å; D177-L180 PolarHBondContact O-N 3.44Å; D177-L180 VanDerWaalsContact O-N 3.14Å; D177-L181 PolarHBondContact O-N 2.87Å; D177-A207 HydrophobicContact CB-CB 3.66Å; D177-T208 WeakPolarHBondContact OD2-CB 2.97Å; D177-T208 PolarHBondContact OD2-OG1 3.03Å; D177-L211 HydrophobicContact CB-CD1 3.91Å; D177-L211 WeakPolarHBondContact O-CD1 3.18Å
178	G	92.3	Very high	93.1	Very high	31 Å²	31	33.4 Å²	33.4	32%	0.32	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-21.8	178	0	0	0	0	0	115.3	T176 R182	T176-G178 PolarHBondContact O-N 3.05Å; G178-R182 PolarHBondContact O-N 2.87Å
179	M	93.3	Very high	93.1	Very high	25 Å²	25	30 Å²	30	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-79	-38.4	173.2	-75.3	-59.5	-64.3	0	0	111.4	S159 R161 M175 T176 D177 L181 R182 E183	S159-M179 WeakPolarHBondContact OG-CE 3.48Å; R161-M179 HydrophobicContact CB-SD 4.35Å; M175-M179 HydrophobicContact CB-CB 4.42Å; M175-M179 HydrophobicContact CE-CB 3.75Å; T176-M179 WeakPolarHBondContact O-CA 3.21Å; T176-M179 WeakPolarHBondContact O-CB 3.4Å; T176-M179 PolarHBondContact O-N 3.21Å; T176-M179 VanDerWaalsContact OG1-CG 3.29Å; T176-M179 WeakPolarHBondContact OG1-CG 3.38Å; D177-M179 PolarHBondContact O-N 3.27Å; M179-L181 VanDerWaalsContact C-N 3.32Å; M179-R182 WeakPolarHBondContact O-CB 3.09Å; M179-R182 PolarHBondContact O-N 3.38Å; M179-R182 PolarHBondContact SD-NH1 2.92Å; M179-R182 VanDerWaalsContact SD-NH1 3.43Å; M179-E183 PolarHBondContact O-N 3.02Å
180	L	95.3	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.3	-40.8	174.4	-177	63.1	0	0	0	110.6	A128 T130 M175 T176 D177 R182 E183 G184 L190 Y193 I196 L211	A128-L180 HydrophobicContact CB-CD1 4.45Å; T130-L180 HydrophobicContact CG2-CB 4.13Å; T130-L180 HydrophobicContact CG2-CD2 3.49Å; T130-L180 VanDerWaalsContact CG2-CD2 3.49Å; T130-L180 HydrophobicContact CG2-CG 4.45Å; M175-L180 HydrophobicContact CE-CB 4.12Å; M175-L180 HydrophobicContact CG-CB 4.27Å; M175-L180 HydrophobicContact SD-CB 3.85Å; M175-L180 HydrophobicContact SD-CD1 3.92Å; M175-L180 HydrophobicContact SD-CG 4.42Å; T176-L180 PolarHBondContact O-N 3.17Å; D177-L180 PolarHBondContact O-N 3.44Å; D177-L180 VanDerWaalsContact O-N 3.14Å; L180-R182 PolarHBondContact O-N 2.69Å; L180-E183 PolarHBondContact O-N 2.88Å; L180-G184 PolarHBondContact O-N 2.9Å; L180-L190 HydrophobicContact CD1-CD1 4.11Å; L180-L190 HydrophobicContact CD1-CD2 3.95Å; L180-L190 HydrophobicContact CG-CD1 4.33Å; L180-Y193 HydrophobicContact CD1-CD2 4.37Å; L180-Y193 HydrophobicContact CD1-CE2 3.88Å; L180-I196 HydrophobicContact CD2-CG2 3.67Å; L180-L211 HydrophobicContact CB-CD1 4.21Å; L180-L211 HydrophobicContact CB-CD2 4.32Å; L180-L211 HydrophobicContact CD2-CD1 4.15Å; L180-L211 HydrophobicContact CD2-CD2 4.13Å; L180-L211 HydrophobicContact CG-CD1 4.49Å; L180-L211 HydrophobicContact CG-CD2 4.05Å
181	L	92.2	Very high	93	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-38.2	174.6	-177.1	59.8	0	0	0	111.7	D177 M179 G184 M185 I210 L211 L214 Q452 L456	D177-L181 PolarHBondContact O-N 2.87Å; M179-L181 VanDerWaalsContact C-N 3.32Å; L181-G184 PolarHBondContact O-N 3.36Å; L181-M185 HydrophobicContact CG-CE 4.46Å; L181-I210 HydrophobicContact CD1-CG2 3.63Å; L181-I210 HydrophobicContact CD2-CB 4.16Å; L181-I210 HydrophobicContact CD2-CG2 3.85Å; L181-I210 HydrophobicContact CG-CG2 4.42Å; L181-L211 HydrophobicContact CB-CD2 4.03Å; L181-L211 HydrophobicContact CB-CG 4.26Å; L181-L211 HydrophobicContact CD1-CD2 4.27Å; L181-L214 HydrophobicContact CD1-CD2 4.21Å; L181-Q452 VanDerWaalsContact CD2-OE1 3.3Å; L181-L456 HydrophobicContact CD1-CD1 3.92Å
182	R	88.7	Confident	92.9	Very high	61 Å²	61	30.9 Å²	30.9	23%	0.23	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-42.7	174.6	-175.4	177	-63.5	144.4	10.1	112.8	G178 M179 L180 G184 M185	G178-R182 PolarHBondContact O-N 2.87Å; M179-R182 WeakPolarHBondContact O-CB 3.09Å; M179-R182 PolarHBondContact O-N 3.38Å; M179-R182 PolarHBondContact SD-NH1 2.92Å; M179-R182 VanDerWaalsContact SD-NH1 3.43Å; L180-R182 PolarHBondContact O-N 2.69Å; R182-G184 PolarHBondContact O-N 3.32Å; R182-M185 HydrophobicContact CG-SD 4.4Å; R182-M185 WeakPolarHBondContact O-CB 3.49Å; R182-M185 PolarHBondContact O-N 2.96Å
183	E	91.8	Very high	92.8	Very high	41 Å²	41	31 Å²	31	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-37.1	174	-72.8	-171.8	-170.8	0	0	110.9	K173 M175 M179 L180 M185 S186 D187 L190 Y193	K173-E183 IonicContact NZ-OE1 3.55Å; K173-E183 PolarHBondContact NZ-OE1 2.92Å; K173-E183 IonicContact NZ-OE2 3.08Å; M175-E183 HydrophobicContact CE-CG 4.23Å; M175-E183 VanDerWaalsContact CE-OE1 3.28Å; M175-E183 WeakPolarHBondContact CE-OE1 3.25Å; M179-E183 PolarHBondContact O-N 3.02Å; L180-E183 PolarHBondContact O-N 2.88Å; E183-M185 PolarHBondContact O-N 3.31Å; E183-S186 PolarHBondContact O-N 2.73Å; E183-S186 PolarHBondContact O-OG 3.06Å; E183-D187 PolarHBondContact O-N 3.49Å; E183-L190 HydrophobicContact CB-CD2 4.26Å; E183-Y193 PolarHBondContact OE1-OH 2.9Å; E183-Y193 VanDerWaalsContact OE2-CE2 3.28Å; E183-Y193 WeakPolarHBondContact OE2-CE2 3.45Å; E183-Y193 VanDerWaalsContact OE2-CZ 3.3Å; E183-Y193 PolarHBondContact OE2-OH 3.11Å
184	G	89.8	Confident	92.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.6	-27	172.8	0	0	0	0	0	114.7	L180 L181 R182 S186 D187 P188 L456	L180-G184 PolarHBondContact O-N 2.9Å; L181-G184 PolarHBondContact O-N 3.36Å; R182-G184 PolarHBondContact O-N 3.32Å; G184-S186 VanDerWaalsContact C-N 3.31Å; G184-S186 PolarHBondContact O-N 2.88Å; G184-D187 WeakPolarHBondContact CA-O 3.13Å; G184-D187 CarbonylContact O-C 3.51Å; G184-P188 WeakPolarHBondContact O-CA 3.22Å; G184-L456 VanDerWaalsContact C-CD2 3.42Å; G184-L456 WeakPolarHBondContact O-CD2 3.2Å
185	M	85	Confident	92.7	Very high	17 Å²	17	29.5 Å²	29.5	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-70.8	-29.8	177.3	-60.6	170.2	-160.7	0	0	112.5	L181 R182 E183 Q452 K455 L456	L181-M185 HydrophobicContact CG-CE 4.46Å; R182-M185 HydrophobicContact CG-SD 4.4Å; R182-M185 WeakPolarHBondContact O-CB 3.49Å; R182-M185 PolarHBondContact O-N 2.96Å; E183-M185 PolarHBondContact O-N 3.31Å; M185-Q452 HydrophobicContact CE-CB 3.67Å; M185-Q452 HydrophobicContact CE-CG 3.24Å; M185-Q452 HydrophobicContact SD-CG 4.37Å; M185-K455 HydrophobicContact CB-CG 4.4Å; M185-K455 HydrophobicContact CG-CG 4.41Å; M185-L456 HydrophobicContact CG-CD2 4.36Å
186	S	85.8	Confident	92.7	Very high	99 Å²	99	29.5 Å²	29.5	69%	0.692	17%	0.174	S	C	*	.	H	α-helix	trans	-95.6	-28.4	176.7	51.9	0	0	0	0	113.4	E183 G184	E183-S186 PolarHBondContact O-N 2.73Å; E183-S186 PolarHBondContact O-OG 3.06Å; G184-S186 VanDerWaalsContact C-N 3.31Å; G184-S186 PolarHBondContact O-N 2.88Å
187	D	90.4	Very high	92.9	Very high	40 Å²	40	28.8 Å²	28.8	21%	0.214	17%	0.169	C	C	.	.			trans	-130.9	81.1	178.7	178.8	3.8	0	0	0	108.5	E183 G184 L189 L190 E191	E183-D187 PolarHBondContact O-N 3.49Å; G184-D187 WeakPolarHBondContact CA-O 3.13Å; G184-D187 CarbonylContact O-C 3.51Å; D187-L189 PolarHBondContact O-N 2.87Å; D187-L189 VanDerWaalsContact O-N 3.1Å; D187-L190 PolarHBondContact O-N 3.35Å; D187-L190 PolarHBondContact OD1-N 2.93Å; D187-L190 VanDerWaalsContact OD2-C 3.31Å; D187-L190 WeakPolarHBondContact OD2-CA 3.48Å; D187-E191 VanDerWaalsContact CG-N 3.33Å; D187-E191 PolarHBondContact OD1-N 3.01Å; D187-E191 VanDerWaalsContact OD1-N 3.11Å; D187-E191 PolarHBondContact OD2-N 3.4Å
188	P	90.7	Very high	93	Very high	70 Å²	70	28.7 Å²	28.7	46%	0.455	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.1	-173.7	-27	36.1	0	0	0	114.7	G184 I218	G184-P188 WeakPolarHBondContact O-CA 3.22Å; P188-I218 VanDerWaalsContact O-CD1 3.22Å; P188-I218 WeakPolarHBondContact O-CD1 3.25Å
189	L	93.2	Very high	93.2	Very high	44 Å²	44	27.2 Å²	27.2	23%	0.23	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-3.4	178	-66.1	-176.6	0	0	0	112.8	D187 E191 Q221 R222	D187-L189 PolarHBondContact O-N 2.87Å; D187-L189 VanDerWaalsContact O-N 3.1Å; L189-E191 HydrophobicContact CB-CG 3.87Å; L189-E191 PolarHBondContact O-N 2.89Å; L189-Q221 HydrophobicContact CD2-CB 4.25Å; L189-R222 VanDerWaalsContact O-CD 3.28Å; L189-R222 WeakPolarHBondContact O-CD 3.45Å; L189-R222 PolarHBondContact O-NH1 3.03Å
190	L	94.9	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.			trans	52	43.8	-179.1	-65.5	173.8	0	0	0	111.7	L180 E183 D187 A192 Y193 I196 L215 I218 R222	L180-L190 HydrophobicContact CD1-CD1 4.11Å; L180-L190 HydrophobicContact CD1-CD2 3.95Å; L180-L190 HydrophobicContact CG-CD1 4.33Å; E183-L190 HydrophobicContact CB-CD2 4.26Å; D187-L190 PolarHBondContact O-N 3.35Å; D187-L190 PolarHBondContact OD1-N 2.93Å; D187-L190 VanDerWaalsContact OD2-C 3.31Å; D187-L190 WeakPolarHBondContact OD2-CA 3.48Å; L190-A192 PolarHBondContact O-N 2.99Å; L190-A192 VanDerWaalsContact O-N 3.15Å; L190-Y193 HydrophobicContact CB-CD2 4.14Å; L190-Y193 HydrophobicContact CD2-CE2 4.46Å; L190-Y193 PolarHBondContact O-N 3.35Å; L190-I196 HydrophobicContact CB-CD1 4.12Å; L190-I196 HydrophobicContact CD1-CD1 3.71Å; L190-L215 HydrophobicContact CD1-CD2 3.98Å; L190-I218 HydrophobicContact CD1-CD1 4.1Å; L190-I218 HydrophobicContact CG-CD1 4.37Å; L190-R222 PolarHBondContact O-NH1 3.27Å
191	E	93.3	Very high	92.9	Very high	117 Å²	117	26.1 Å²	26.1	55%	0.547	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.1	-170.7	-66	-169.2	154	0	0	113.8	K125 D187 L189 Y193 R222	K125-E191 PolarHBondContact NZ-O 2.95Å; D187-E191 VanDerWaalsContact CG-N 3.33Å; D187-E191 PolarHBondContact OD1-N 3.01Å; D187-E191 VanDerWaalsContact OD1-N 3.11Å; D187-E191 PolarHBondContact OD2-N 3.4Å; L189-E191 HydrophobicContact CB-CG 3.87Å; L189-E191 PolarHBondContact O-N 2.89Å; E191-Y193 PolarHBondContact O-N 3.09Å; E191-Y193 VanDerWaalsContact O-N 3.13Å; E191-R222 VanDerWaalsContact CA-NH1 3.34Å
192	A	93.1	Very high	92.8	Very high	53 Å²	53	27.7 Å²	27.7	44%	0.438	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.3	176.5	0	0	0	0	0	113.7	A126 L190	A126-A192 PolarHBondContact N-O 2.72Å; L190-A192 PolarHBondContact O-N 2.99Å; L190-A192 VanDerWaalsContact O-N 3.15Å
193	Y	96.1	Very high	92.7	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.7	-174.1	-55.2	-71.3	0	0	0	113	A126 A128 K173 L180 E183 L190 E191 I196 R222	A126-Y193 HydrophobicContact CB-CD1 3.88Å; A126-Y193 HydrophobicContact CB-CE1 4.06Å; A126-Y193 WeakPolarHBondContact O-CA 3.41Å; A128-Y193 HydrophobicContact CB-CD1 3.63Å; A128-Y193 HydrophobicContact CB-CE1 3.64Å; A128-Y193 HydrophobicContact CB-CG 4.09Å; K173-Y193 PolarHBondContact NZ-OH 3.27Å; L180-Y193 HydrophobicContact CD1-CD2 4.37Å; L180-Y193 HydrophobicContact CD1-CE2 3.88Å; E183-Y193 PolarHBondContact OE1-OH 2.9Å; E183-Y193 VanDerWaalsContact OE2-CE2 3.28Å; E183-Y193 WeakPolarHBondContact OE2-CE2 3.45Å; E183-Y193 VanDerWaalsContact OE2-CZ 3.3Å; E183-Y193 PolarHBondContact OE2-OH 3.11Å; L190-Y193 HydrophobicContact CB-CD2 4.14Å; L190-Y193 HydrophobicContact CD2-CE2 4.46Å; L190-Y193 PolarHBondContact O-N 3.35Å; E191-Y193 PolarHBondContact O-N 3.09Å; E191-Y193 VanDerWaalsContact O-N 3.13Å; Y193-I196 HydrophobicContact CD2-CD1 4.47Å; Y193-I196 HydrophobicContact CG-CG1 4.31Å; Y193-R222 PolarHBondContact O-NH2 3.06Å
194	G	95.9	Very high	92.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-32.2	169.9	0	0	0	0	0	112.1	Y121 A126 K226	Y121-G194 PolarHBondContact OH-O 3.35Å; A126-G194 PolarHBondContact O-N 3.4Å; G194-K226 PolarHBondContact O-N 3.4Å
195	V	97.7	Very high	92.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.8	175.8	-172.6	0	0	0	0	109.5	C113 W116 V117 V127 A128 L197 K226 V228	C113-V195 HydrophobicContact CB-CB 4.13Å; C113-V195 HydrophobicContact CB-CG1 3.95Å; C113-V195 HydrophobicContact CB-CG2 4.16Å; W116-V195 HydrophobicContact CE3-CG2 4.17Å; W116-V195 HydrophobicContact CZ3-CG2 4.4Å; V117-V195 HydrophobicContact CG2-CB 4.45Å; V117-V195 HydrophobicContact CG2-CG2 3.51Å; V127-V195 WeakPolarHBondContact CA-O 3.36Å; V127-V195 HydrophobicContact CG1-CB 4.49Å; V127-V195 HydrophobicContact CG2-CB 4.4Å; A128-V195 PolarHBondContact N-O 3.3Å; V195-L197 HydrophobicContact CG1-CD1 4.12Å; V195-L197 HydrophobicContact CG1-CG 4.43Å; V195-K226 WeakPolarHBondContact CA-O 3.49Å; V195-K226 HydrophobicContact CG1-CB 4.25Å; V195-K226 HydrophobicContact CG2-CB 4.1Å; V195-V228 HydrophobicContact CG1-CG2 4.29Å
196	I	98.3	Very high	93	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.3	173.2	-62.9	176	0	0	0	108.4	A128 L180 L190 Y193 L198 L215 L225 K226 I227 V228	A128-I196 HydrophobicContact CB-CG1 4.3Å; A128-I196 CarbonylContact O-C 3.42Å; L180-I196 HydrophobicContact CD2-CG2 3.67Å; L190-I196 HydrophobicContact CB-CD1 4.12Å; L190-I196 HydrophobicContact CD1-CD1 3.71Å; Y193-I196 HydrophobicContact CD2-CD1 4.47Å; Y193-I196 HydrophobicContact CG-CG1 4.31Å; I196-L198 HydrophobicContact CG2-CD2 4.44Å; I196-L215 HydrophobicContact CD1-CD2 3.65Å; I196-L215 HydrophobicContact CG2-CD1 3.97Å; I196-L215 HydrophobicContact CG2-CD2 4.43Å; I196-L225 HydrophobicContact CD1-CD1 4.04Å; I196-L225 HydrophobicContact CD1-CD2 4.27Å; I196-L225 HydrophobicContact CG1-CD1 4.03Å; I196-K226 PolarHBondContact N-O 3Å; I196-I227 WeakPolarHBondContact O-CA 3.29Å; I196-V228 PolarHBondContact O-N 3.4Å
197	L	98.3	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.7	175.4	-54.5	92.9	0	0	0	109.8	I109 P110 C113 V127 A128 C129 T130 V195 V228 M230	I109-L197 HydrophobicContact CB-CD2 4.26Å; I109-L197 HydrophobicContact CG2-CD2 3.63Å; P110-L197 HydrophobicContact CB-CD1 4.48Å; P110-L197 HydrophobicContact CG-CD1 4.44Å; P110-L197 HydrophobicContact CG-CD2 4.01Å; C113-L197 HydrophobicContact CB-CD1 4.46Å; V127-L197 HydrophobicContact CG1-CD1 3.29Å; A128-L197 VanDerWaalsContact O-CD1 3.25Å; A128-L197 WeakPolarHBondContact O-CD1 3.39Å; A128-L197 PolarHBondContact O-N 3.17Å; C129-L197 HydrophobicContact CB-CB 4.32Å; C129-L197 HydrophobicContact CB-CD1 4.33Å; T130-L197 PolarHBondContact N-O 2.91Å; V195-L197 HydrophobicContact CG1-CD1 4.12Å; V195-L197 HydrophobicContact CG1-CG 4.43Å; L197-V228 CarbonylContact C-O 3.59Å; L197-V228 VanDerWaalsContact CA-O 3.24Å; L197-V228 WeakPolarHBondContact CA-O 3.36Å; L197-V228 HydrophobicContact CB-CB 4.48Å; L197-V228 HydrophobicContact CD2-CB 4.12Å; L197-V228 HydrophobicContact CD2-CG1 4.38Å; L197-V228 HydrophobicContact CG-CB 4.03Å; L197-V228 HydrophobicContact CG-CG2 4.46Å; L197-M230 HydrophobicContact CB-CE 4.05Å; L197-M230 HydrophobicContact CD2-CE 3.82Å; L197-M230 HydrophobicContact CD2-SD 4.1Å
198	L	97.3	Very high	93.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	95.2	168.8	-60.1	-175.7	0	0	0	108.1	T130 I196 L211 M212 L215 V228 V229 M230	T130-L198 HydrophobicContact CG2-CD2 3.99Å; I196-L198 HydrophobicContact CG2-CD2 4.44Å; L198-L211 HydrophobicContact CD2-CB 4.27Å; L198-L211 HydrophobicContact CD2-CD1 4.09Å; L198-M212 HydrophobicContact CD1-CG 3.47Å; L198-M212 VanDerWaalsContact CD1-CG 3.47Å; L198-L215 HydrophobicContact CD1-CD1 3.97Å; L198-L215 HydrophobicContact CD2-CD1 3.9Å; L198-L215 HydrophobicContact CG-CD1 4.07Å; L198-V228 PolarHBondContact N-O 3.06Å; L198-V229 HydrophobicContact CD1-CG2 4.49Å; L198-M230 PolarHBondContact O-N 2.59Å
199	D	95.1	Very high	93.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	156.1	-179.8	-155.5	6.4	0	0	0	112.2	T106 T130 Q131 A201 M230	T106-D199 WeakPolarHBondContact CA-OD2 3.3Å; T106-D199 WeakPolarHBondContact CB-OD2 3.37Å; T106-D199 WeakPolarHBondContact CG2-OD2 3.28Å; T106-D199 PolarHBondContact OG1-OD2 3.22Å; T130-D199 WeakPolarHBondContact O-CB 3.39Å; T130-D199 PolarHBondContact O-N 2.92Å; Q131-D199 PolarHBondContact NE2-OD2 3.05Å; D199-A201 PolarHBondContact O-N 3.27Å; D199-A201 VanDerWaalsContact O-N 3.12Å; D199-M230 HydrophobicContact CB-CE 3.56Å; D199-M230 WeakPolarHBondContact OD1-CB 3.11Å; D199-M230 WeakPolarHBondContact OD1-CE 3.29Å
200	E	91.5	Very high	93.6	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.014	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	36.5	179.4	-54.2	-75	114.8	0	0	112.6	K105 P132 H202 E203 M230 T365 S366	K105-E200 IonicContact NZ-OE1 2.74Å; P132-E200 HydrophobicContact CG-CB 4.08Å; E200-H202 PolarHBondContact O-N 2.92Å; E200-H202 IonicContact OE1-CE1 3.5Å; E200-H202 IonicContact OE2-CE1 2.79Å; E200-H202 PolarHBondContact OE2-CE1 3.09Å; E200-H202 IonicContact OE2-NE2 3.57Å; E200-E203 PolarHBondContact O-N 3.04Å; E200-M230 PolarHBondContact N-O 3.26Å; E200-T365 WeakPolarHBondContact OE2-CB 3.42Å; E200-S366 PolarHBondContact OE2-N 3.44Å
201	A	92.5	Very high	93.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-60	-18.3	-174	0	0	0	0	0	113.9	D199 E203 R204 T208 V229 M230 F239	D199-A201 PolarHBondContact O-N 3.27Å; D199-A201 VanDerWaalsContact O-N 3.12Å; A201-E203 PolarHBondContact O-N 3.41Å; A201-R204 WeakPolarHBondContact O-CD 3.45Å; A201-R204 PolarHBondContact O-N 3.33Å; A201-R204 VanDerWaalsContact O-N 3.15Å; A201-T208 HydrophobicContact CB-CG2 4.35Å; A201-V229 HydrophobicContact CB-CG1 3.73Å; A201-M230 PolarHBondContact N-O 3.47Å; A201-F239 HydrophobicContact CB-CD1 4.49Å; A201-F239 HydrophobicContact CB-CE1 3.74Å; A201-F239 HydrophobicContact CB-CZ 3.95Å
202	H	89.1	Confident	93.6	Very high	34 Å²	34	11.2 Å²	11.2	16%	0.157	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-67.3	-15.9	172.7	61.6	-78.2	0	0	0	114.3	E200 R204 S231 A232 T233	E200-H202 PolarHBondContact O-N 2.92Å; E200-H202 IonicContact OE1-CE1 3.5Å; E200-H202 IonicContact OE2-CE1 2.79Å; E200-H202 PolarHBondContact OE2-CE1 3.09Å; E200-H202 IonicContact OE2-NE2 3.57Å; H202-R204 PolarHBondContact O-N 3.35Å; H202-S231 WeakPolarHBondContact CB-OG 3.43Å; H202-A232 PolarHBondContact ND1-N 3.44Å; H202-T233 HydrophobicContact CB-CG2 4.22Å; H202-T233 WeakPolarHBondContact CB-OG1 3.48Å
203	E	86.7	Confident	93.6	Very high	51 Å²	51	8.9 Å²	8.9	24%	0.238	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-66.7	-21.4	170.4	-72.5	-159.3	-173.8	0	0	112.1	P132 R133 E200 A201 T205 T365	P132-E203 WeakPolarHBondContact CB-OE2 3.42Å; P132-E203 HydrophobicContact CG-CB 4.16Å; P132-E203 HydrophobicContact CG-CG 4.29Å; R133-E203 IonicContact CZ-OE1 3.75Å; R133-E203 IonicContact NE-OE1 2.66Å; R133-E203 PolarHBondContact NE-OE1 3.07Å; R133-E203 IonicContact NE-OE2 2.6Å; R133-E203 IonicContact NH2-OE1 2.62Å; R133-E203 PolarHBondContact NH2-OE1 3.24Å; E200-E203 PolarHBondContact O-N 3.04Å; A201-E203 PolarHBondContact O-N 3.41Å; E203-T205 HydrophobicContact CB-CG2 4.05Å; E203-T205 PolarHBondContact O-N 2.95Å; E203-T365 HydrophobicContact CG-CG2 4.45Å; E203-T365 VanDerWaalsContact OE1-CB 3.29Å; E203-T365 WeakPolarHBondContact OE1-CB 3.49Å; E203-T365 PolarHBondContact OE1-OG1 3.28Å
204	R	91.6	Very high	93.4	Very high	21 Å²	21	9.4 Å²	9.4	8%	0.079	5%	0.05	C	C	.	.			trans	48	47.9	176.3	-62.6	-60.6	-54.8	-73.7	-6.5	112.2	A201 H202 D209 P439 E440 M467 D468	A201-R204 WeakPolarHBondContact O-CD 3.45Å; A201-R204 PolarHBondContact O-N 3.33Å; A201-R204 VanDerWaalsContact O-N 3.15Å; H202-R204 PolarHBondContact O-N 3.35Å; R204-D209 IonicContact CZ-OD1 2.86Å; R204-D209 IonicContact CZ-OD2 3.95Å; R204-D209 IonicContact NE-OD1 2.62Å; R204-D209 PolarHBondContact NE-OD1 2.95Å; R204-D209 IonicContact NE-OD2 3.18Å; R204-D209 PolarHBondContact NE-OD2 2.89Å; R204-D209 IonicContact NH2-OD1 3.17Å; R204-D209 PolarHBondContact NH2-OD1 3.2Å; R204-D209 IonicContact NH2-OD2 3.91Å; R204-D209 PolarHBondContact NH2-OD2 3.12Å; R204-P439 HydrophobicContact CB-CB 4.06Å; R204-P439 HydrophobicContact CB-CG 4.36Å; R204-E440 WeakPolarHBondContact O-CB 3.36Å; R204-E440 PolarHBondContact O-N 3.32Å; R204-M467 VanDerWaalsContact CZ-SD 3.54Å; R204-D468 IonicContact CZ-OD2 2.92Å; R204-D468 IonicContact NH1-OD2 3.99Å; R204-D468 PolarHBondContact NH1-OD2 3.42Å; R204-D468 IonicContact NH2-OD2 3.45Å; R204-D468 PolarHBondContact NH2-OD2 2.79Å
205	T	91.4	Very high	93.4	Very high	21 Å²	21	9.4 Å²	9.4	13%	0.129	5%	0.05	C	C	.	.			trans	-69	158.4	175.5	80.2	0	0	0	0	110.2	P132 E203 A207 T208 D209 E440	P132-T205 HydrophobicContact CB-CG2 3.8Å; P132-T205 HydrophobicContact CG-CG2 4.3Å; E203-T205 HydrophobicContact CB-CG2 4.05Å; E203-T205 PolarHBondContact O-N 2.95Å; T205-A207 VanDerWaalsContact C-N 3.27Å; T205-A207 PolarHBondContact O-N 3.49Å; T205-T208 PolarHBondContact O-N 2.98Å; T205-T208 PolarHBondContact OG1-N 3.25Å; T205-T208 PolarHBondContact OG1-OG1 3Å; T205-D209 PolarHBondContact O-N 3.33Å; T205-D209 VanDerWaalsContact O-N 3.09Å; T205-E440 VanDerWaalsContact CA-OE2 3.25Å; T205-E440 WeakPolarHBondContact CA-OE2 3.39Å; T205-E440 WeakPolarHBondContact CB-OE2 3.38Å
206	L	91.1	Very high	93.2	Very high	28 Å²	28	10.1 Å²	10.1	15%	0.147	5%	0.053	C	C	.	.	H	α-helix	trans	-55.7	-45.8	179.1	-174.1	57.1	0	0	0	111.2	D209 I210 E440 I441 L446 V449	L206-D209 PolarHBondContact O-N 3.24Å; L206-I210 VanDerWaalsContact O-CG1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.48Å; L206-I210 PolarHBondContact O-N 3.48Å; L206-E440 HydrophobicContact CB-CG 4.18Å; L206-E440 PolarHBondContact N-OE2 3.46Å; L206-I441 HydrophobicContact CD1-CB 3.76Å; L206-I441 HydrophobicContact CD1-CD1 4.36Å; L206-I441 HydrophobicContact CD1-CG1 3.76Å; L206-L446 HydrophobicContact CD1-CD2 3.83Å; L206-V449 HydrophobicContact CD1-CG2 3.83Å; L206-V449 HydrophobicContact CD2-CG2 3.4Å; L206-V449 VanDerWaalsContact CD2-CG2 3.4Å; L206-V449 HydrophobicContact CG-CG2 3.49Å; L206-V449 VanDerWaalsContact CG-CG2 3.49Å
207	A	92.1	Very high	92.9	Very high	21 Å²	21	14.2 Å²	14.2	17%	0.174	7%	0.072	C	C	.	.	H	α-helix	trans	-68	-37.4	-179.9	0	0	0	0	0	112.9	D177 T205 D209 I210 L211	D177-A207 HydrophobicContact CB-CB 3.66Å; T205-A207 VanDerWaalsContact C-N 3.27Å; T205-A207 PolarHBondContact O-N 3.49Å; A207-D209 VanDerWaalsContact C-N 3.35Å; A207-D209 PolarHBondContact O-N 3.13Å; A207-I210 PolarHBondContact O-N 2.99Å; A207-L211 WeakPolarHBondContact O-CB 3.34Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 3.39Å
208	T	93.9	Very high	92.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.6	-46.7	176.1	-40.9	0	0	0	0	110.8	D177 A201 T205 I210 L211 M212	D177-T208 WeakPolarHBondContact OD2-CB 2.97Å; D177-T208 PolarHBondContact OD2-OG1 3.03Å; A201-T208 HydrophobicContact CB-CG2 4.35Å; T205-T208 PolarHBondContact O-N 2.98Å; T205-T208 PolarHBondContact OG1-N 3.25Å; T205-T208 PolarHBondContact OG1-OG1 3Å; T208-I210 PolarHBondContact O-N 2.94Å; T208-L211 PolarHBondContact O-N 2.77Å; T208-M212 HydrophobicContact CG2-CE 4.43Å; T208-M212 WeakPolarHBondContact O-CG 3.45Å; T208-M212 PolarHBondContact O-N 2.75Å
209	D	93	Very high	92.5	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-64.8	-40.9	-177.6	-80.6	14.8	0	0	0	112.2	R204 T205 L206 A207 M212 G213	R204-D209 IonicContact CZ-OD1 2.86Å; R204-D209 IonicContact CZ-OD2 3.95Å; R204-D209 IonicContact NE-OD1 2.62Å; R204-D209 PolarHBondContact NE-OD1 2.95Å; R204-D209 IonicContact NE-OD2 3.18Å; R204-D209 PolarHBondContact NE-OD2 2.89Å; R204-D209 IonicContact NH2-OD1 3.17Å; R204-D209 PolarHBondContact NH2-OD1 3.2Å; R204-D209 IonicContact NH2-OD2 3.91Å; R204-D209 PolarHBondContact NH2-OD2 3.12Å; T205-D209 PolarHBondContact O-N 3.33Å; T205-D209 VanDerWaalsContact O-N 3.09Å; L206-D209 PolarHBondContact O-N 3.24Å; A207-D209 VanDerWaalsContact C-N 3.35Å; A207-D209 PolarHBondContact O-N 3.13Å; D209-M212 HydrophobicContact CB-CE 4.42Å; D209-M212 PolarHBondContact O-N 2.91Å; D209-M212 WeakPolarHBondContact OD1-CE 3.33Å; D209-G213 PolarHBondContact O-N 3.15Å
210	I	92.3	Very high	92.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-44.2	174.6	-60	-51.5	0	0	0	111.5	L181 L206 A207 T208 M212 G213 L214 I441 V449 L453 F466	L181-I210 HydrophobicContact CD1-CG2 3.63Å; L181-I210 HydrophobicContact CD2-CB 4.16Å; L181-I210 HydrophobicContact CD2-CG2 3.85Å; L181-I210 HydrophobicContact CG-CG2 4.42Å; L206-I210 VanDerWaalsContact O-CG1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.48Å; L206-I210 PolarHBondContact O-N 3.48Å; A207-I210 PolarHBondContact O-N 2.99Å; T208-I210 PolarHBondContact O-N 2.94Å; I210-M212 VanDerWaalsContact C-N 3.29Å; I210-M212 PolarHBondContact O-N 2.84Å; I210-G213 PolarHBondContact O-N 2.93Å; I210-L214 WeakPolarHBondContact O-CB 3.35Å; I210-L214 PolarHBondContact O-N 2.82Å; I210-I441 HydrophobicContact CD1-CD1 4.38Å; I210-V449 HydrophobicContact CD1-CG1 3.45Å; I210-V449 VanDerWaalsContact CD1-CG1 3.45Å; I210-V449 HydrophobicContact CG1-CG1 3.76Å; I210-V449 HydrophobicContact CG1-CG2 4.35Å; I210-L453 HydrophobicContact CD1-CD1 4.23Å; I210-L453 HydrophobicContact CD1-CD2 4.47Å; I210-L453 HydrophobicContact CG2-CD2 3.78Å; I210-L453 HydrophobicContact CG2-CG 4.48Å; I210-F466 HydrophobicContact CD1-CD1 4.13Å; I210-F466 HydrophobicContact CD1-CE1 3.5Å
211	L	94.1	Very high	92.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-39.1	176.5	-81	176.4	0	0	0	112.1	T130 D177 L180 L181 L198 A207 T208 G213 L214 L215	T130-L211 HydrophobicContact CG2-CD1 4.31Å; D177-L211 HydrophobicContact CB-CD1 3.91Å; D177-L211 WeakPolarHBondContact O-CD1 3.18Å; L180-L211 HydrophobicContact CB-CD1 4.21Å; L180-L211 HydrophobicContact CB-CD2 4.32Å; L180-L211 HydrophobicContact CD2-CD1 4.15Å; L180-L211 HydrophobicContact CD2-CD2 4.13Å; L180-L211 HydrophobicContact CG-CD1 4.49Å; L180-L211 HydrophobicContact CG-CD2 4.05Å; L181-L211 HydrophobicContact CB-CD2 4.03Å; L181-L211 HydrophobicContact CB-CG 4.26Å; L181-L211 HydrophobicContact CD1-CD2 4.27Å; L198-L211 HydrophobicContact CD2-CB 4.27Å; L198-L211 HydrophobicContact CD2-CD1 4.09Å; A207-L211 WeakPolarHBondContact O-CB 3.34Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 3.39Å; T208-L211 PolarHBondContact O-N 2.77Å; L211-G213 PolarHBondContact O-N 2.83Å; L211-L214 PolarHBondContact O-N 2.86Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 3.22Å
212	M	94.8	Very high	92.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-45.7	177.2	-75.9	-170.4	-67.4	0	0	111.8	L198 T208 D209 I210 K216 F239 Y242 F243 M467	L198-M212 HydrophobicContact CD1-CG 3.47Å; L198-M212 VanDerWaalsContact CD1-CG 3.47Å; T208-M212 HydrophobicContact CG2-CE 4.43Å; T208-M212 WeakPolarHBondContact O-CG 3.45Å; T208-M212 PolarHBondContact O-N 2.75Å; D209-M212 HydrophobicContact CB-CE 4.42Å; D209-M212 PolarHBondContact O-N 2.91Å; D209-M212 WeakPolarHBondContact OD1-CE 3.33Å; I210-M212 VanDerWaalsContact C-N 3.29Å; I210-M212 PolarHBondContact O-N 2.84Å; M212-K216 VanDerWaalsContact O-CB 3.32Å; M212-K216 WeakPolarHBondContact O-CB 3.38Å; M212-K216 PolarHBondContact O-N 2.83Å; M212-F239 HydrophobicContact CE-CE1 4.26Å; M212-F239 HydrophobicContact SD-CD1 3.92Å; M212-F239 HydrophobicContact SD-CE1 3.81Å; M212-Y242 HydrophobicContact CB-CE1 3.86Å; M212-F243 HydrophobicContact CB-CE2 4.44Å; M212-F243 HydrophobicContact CB-CZ 4.02Å; M212-F243 HydrophobicContact CG-CE2 4.17Å; M212-F243 HydrophobicContact CG-CZ 4.05Å; M212-F243 HydrophobicContact SD-CE2 4.21Å; M212-M467 HydrophobicContact CE-CB 4.46Å; M212-M467 HydrophobicContact CE-CE 3.72Å; M212-M467 HydrophobicContact CE-SD 3.97Å; M212-M467 HydrophobicContact SD-CE 3.5Å; M212-M467 WeakPolarHBondContact SD-CE 3.44Å; M212-M467 HydrophobicContact SD-SD 4.45Å
213	G	93.1	Very high	92.7	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-43.9	176.8	0	0	0	0	0	113.2	D209 I210 L211 K216 E217 Y242	D209-G213 PolarHBondContact O-N 3.15Å; I210-G213 PolarHBondContact O-N 2.93Å; L211-G213 PolarHBondContact O-N 2.83Å; G213-K216 PolarHBondContact O-N 2.93Å; G213-E217 PolarHBondContact O-N 3.34Å; G213-E217 VanDerWaalsContact O-N 3.16Å; G213-Y242 WeakPolarHBondContact CA-OH 3.19Å; G213-Y242 PolarHBondContact N-OH 2.9Å
214	L	92.1	Very high	93	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-48.2	177.2	-179.2	65.8	0	0	0	111.5	L181 I210 L211 K216 E217 I218 L456	L181-L214 HydrophobicContact CD1-CD2 4.21Å; I210-L214 WeakPolarHBondContact O-CB 3.35Å; I210-L214 PolarHBondContact O-N 2.82Å; L211-L214 PolarHBondContact O-N 2.86Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 2.9Å; L214-E217 WeakPolarHBondContact O-CB 3.48Å; L214-E217 PolarHBondContact O-N 3.48Å; L214-E217 VanDerWaalsContact O-N 3.11Å; L214-I218 HydrophobicContact CD1-CD1 4.34Å; L214-I218 HydrophobicContact CD2-CD1 4.35Å; L214-I218 HydrophobicContact CG-CD1 3.85Å; L214-I218 HydrophobicContact CG-CG1 4.46Å; L214-I218 WeakPolarHBondContact O-CG1 3.19Å; L214-I218 PolarHBondContact O-N 2.87Å; L214-L456 HydrophobicContact CD1-CD1 4.24Å; L214-L456 HydrophobicContact CD2-CD1 4.01Å; L214-L456 HydrophobicContact CD2-CD2 4.36Å
215	L	94.8	Very high	93.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-36.1	-179.2	-73.2	172.6	0	0	0	111.9	L190 I196 L198 L211 E217 I218 T219 L225 I227	L190-L215 HydrophobicContact CD1-CD2 3.98Å; I196-L215 HydrophobicContact CD1-CD2 3.65Å; I196-L215 HydrophobicContact CG2-CD1 3.97Å; I196-L215 HydrophobicContact CG2-CD2 4.43Å; L198-L215 HydrophobicContact CD1-CD1 3.97Å; L198-L215 HydrophobicContact CD2-CD1 3.9Å; L198-L215 HydrophobicContact CG-CD1 4.07Å; L211-L215 WeakPolarHBondContact O-CB 3.42Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 3.22Å; L215-E217 VanDerWaalsContact C-N 3.29Å; L215-E217 PolarHBondContact O-N 3.05Å; L215-I218 HydrophobicContact CD2-CD1 4.29Å; L215-I218 PolarHBondContact O-N 3.13Å; L215-T219 WeakPolarHBondContact O-CG2 3.36Å; L215-T219 PolarHBondContact O-N 2.97Å; L215-T219 PolarHBondContact O-OG1 2.77Å; L215-L225 HydrophobicContact CD2-CD2 4.41Å; L215-I227 HydrophobicContact CB-CD1 3.7Å; L215-I227 HydrophobicContact CD2-CD1 4.49Å; L215-I227 HydrophobicContact CG-CD1 4.48Å
216	K	94	Very high	93.4	Very high	16 Å²	16	32.1 Å²	32.1	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-40	172.5	-172.3	174.2	177.5	180	0	111.4	M212 G213 L214 T219 Y242 F243 H244 D465	M212-K216 VanDerWaalsContact O-CB 3.32Å; M212-K216 WeakPolarHBondContact O-CB 3.38Å; M212-K216 PolarHBondContact O-N 2.83Å; G213-K216 PolarHBondContact O-N 2.93Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 2.9Å; K216-T219 PolarHBondContact O-OG1 3.37Å; K216-Y242 HydrophobicContact CD-CE1 3.98Å; K216-Y242 VanDerWaalsContact CE-O 3.26Å; K216-Y242 WeakPolarHBondContact CE-O 3.31Å; K216-Y242 PolarHBondContact NZ-O 3.43Å; K216-F243 HydrophobicContact CB-CD1 4.48Å; K216-F243 HydrophobicContact CB-CE1 4.04Å; K216-H244 WeakPolarHBondContact CE-NE2 3.43Å; K216-D465 VanDerWaalsContact CD-OD2 3.3Å; K216-D465 WeakPolarHBondContact CD-OD2 3.13Å; K216-D465 WeakPolarHBondContact CE-OD2 3.16Å; K216-D465 IonicContact NZ-OD1 3.42Å; K216-D465 IonicContact NZ-OD2 2.7Å; K216-D465 PolarHBondContact NZ-OD2 2.98Å
217	E	91.2	Very high	93.8	Very high	86 Å²	86	30.8 Å²	30.8	40%	0.402	15%	0.152	S	C	.	.	H	α-helix	trans	-68.8	-44.3	173.9	-167.2	56.2	-142.6	0	0	112.2	G213 L214 L215 T219 K220	G213-E217 PolarHBondContact O-N 3.34Å; G213-E217 VanDerWaalsContact O-N 3.16Å; L214-E217 WeakPolarHBondContact O-CB 3.48Å; L214-E217 PolarHBondContact O-N 3.48Å; L214-E217 VanDerWaalsContact O-N 3.11Å; L215-E217 VanDerWaalsContact C-N 3.29Å; L215-E217 PolarHBondContact O-N 3.05Å; E217-T219 VanDerWaalsContact C-N 3.26Å; E217-T219 PolarHBondContact O-N 3.14Å; E217-K220 WeakPolarHBondContact O-CB 3.36Å; E217-K220 PolarHBondContact O-N 3.37Å; E217-K220 IonicContact OE1-NZ 3.43Å; E217-K220 WeakPolarHBondContact OE2-CE 3.35Å; E217-K220 IonicContact OE2-NZ 3.72Å; E217-K220 PolarHBondContact OE2-NZ 2.93Å
218	I	93.5	Very high	94	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-38.1	177.5	-66.6	167.1	0	0	0	111.1	P188 L190 L214 L215 K220 Q221 R222 L225	P188-I218 VanDerWaalsContact O-CD1 3.22Å; P188-I218 WeakPolarHBondContact O-CD1 3.25Å; L190-I218 HydrophobicContact CD1-CD1 4.1Å; L190-I218 HydrophobicContact CG-CD1 4.37Å; L214-I218 HydrophobicContact CD1-CD1 4.34Å; L214-I218 HydrophobicContact CD2-CD1 4.35Å; L214-I218 HydrophobicContact CG-CD1 3.85Å; L214-I218 HydrophobicContact CG-CG1 4.46Å; L214-I218 WeakPolarHBondContact O-CG1 3.19Å; L214-I218 PolarHBondContact O-N 2.87Å; L215-I218 HydrophobicContact CD2-CD1 4.29Å; L215-I218 PolarHBondContact O-N 3.13Å; I218-K220 PolarHBondContact O-N 3.17Å; I218-K220 VanDerWaalsContact O-N 3.16Å; I218-Q221 CarbonylContact O-C 3.59Å; I218-Q221 PolarHBondContact O-N 2.72Å; I218-R222 HydrophobicContact CG2-CB 4.14Å; I218-R222 HydrophobicContact CG2-CG 4.34Å; I218-R222 PolarHBondContact O-N 3.06Å; I218-L225 HydrophobicContact CG2-CD2 3.74Å
219	T	94	Very high	94.1	Very high	12 Å²	12	29.8 Å²	29.8	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-25.6	178.7	52.4	0	0	0	0	114.1	Q93 V94 L215 K216 E217 Q221 I227	Q93-T219 HydrophobicContact CG-CG2 4.2Å; Q93-T219 PolarHBondContact NE2-O 3.06Å; V94-T219 HydrophobicContact CG2-CG2 4.33Å; L215-T219 WeakPolarHBondContact O-CG2 3.36Å; L215-T219 PolarHBondContact O-N 2.97Å; L215-T219 PolarHBondContact O-OG1 2.77Å; K216-T219 PolarHBondContact O-OG1 3.37Å; E217-T219 VanDerWaalsContact C-N 3.26Å; E217-T219 PolarHBondContact O-N 3.14Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 3.47Å; T219-I227 HydrophobicContact CG2-CD1 3.31Å; T219-I227 HydrophobicContact CG2-CG1 4.25Å
220	K	93.1	Very high	94.2	Very high	127 Å²	127	29.8 Å²	29.8	55%	0.552	14%	0.144	S	C	*	.	H	α-helix	trans	-69.7	-29	174.7	-58.6	175.3	-173.5	166.2	0	112	E217 I218	E217-K220 WeakPolarHBondContact O-CB 3.36Å; E217-K220 PolarHBondContact O-N 3.37Å; E217-K220 IonicContact OE1-NZ 3.43Å; E217-K220 WeakPolarHBondContact OE2-CE 3.35Å; E217-K220 IonicContact OE2-NZ 3.72Å; E217-K220 PolarHBondContact OE2-NZ 2.93Å; I218-K220 PolarHBondContact O-N 3.17Å; I218-K220 VanDerWaalsContact O-N 3.16Å
221	Q	93.3	Very high	94.1	Very high	129 Å²	129	29.7 Å²	29.7	60%	0.603	14%	0.143	S	C	*	.	H	α-helix	trans	-97.9	-31.6	-177.8	-57.4	-176.1	41.3	0	0	112.5	L189 I218 T219	L189-Q221 HydrophobicContact CD2-CB 4.25Å; I218-Q221 CarbonylContact O-C 3.59Å; I218-Q221 PolarHBondContact O-N 2.72Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 3.47Å
222	R	94.2	Very high	93.5	Very high	15 Å²	15	30.3 Å²	30.3	6%	0.057	15%	0.148	C	C	.	.			trans	-116.9	86.3	-176.9	-76.5	-164.9	59.8	-158.2	-2	112.6	Q93 L189 L190 E191 Y193 I218 D224 L225	Q93-R222 PolarHBondContact NE2-O 3.41Å; L189-R222 VanDerWaalsContact O-CD 3.28Å; L189-R222 WeakPolarHBondContact O-CD 3.45Å; L189-R222 PolarHBondContact O-NH1 3.03Å; L190-R222 PolarHBondContact O-NH1 3.27Å; E191-R222 VanDerWaalsContact CA-NH1 3.34Å; Y193-R222 PolarHBondContact O-NH2 3.06Å; I218-R222 HydrophobicContact CG2-CB 4.14Å; I218-R222 HydrophobicContact CG2-CG 4.34Å; I218-R222 PolarHBondContact O-N 3.06Å; R222-D224 WeakPolarHBondContact CB-OD1 3.46Å; R222-D224 IonicContact CZ-OD1 2.61Å; R222-D224 IonicContact CZ-OD2 2.71Å; R222-D224 IonicContact NE-OD1 2.68Å; R222-D224 PolarHBondContact NE-OD1 2.89Å; R222-D224 IonicContact NE-OD2 3.03Å; R222-D224 IonicContact NH2-OD1 3.87Å; R222-D224 PolarHBondContact NH2-OD1 3.12Å; R222-D224 IonicContact NH2-OD2 3.38Å; R222-D224 PolarHBondContact NH2-OD2 2.89Å; R222-D224 PolarHBondContact O-N 3.47Å; R222-L225 HydrophobicContact CB-CB 4.05Å; R222-L225 PolarHBondContact O-N 3.17Å
223	L	92.5	Very high	92.5	Very high	137 Å²	137	31.5 Å²	31.5	72%	0.717	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-21	173.4	-60	-179	0	0	0	113.2
224	D	92.9	Very high	90.9	Very high	60 Å²	60	38.9 Å²	38.9	32%	0.321	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.5	178.4	76.2	-55	0	0	0	113.1	Y121 K125 R222	Y121-D224 HydrophobicContact CE1-CB 4.33Å; Y121-D224 PolarHBondContact OH-O 3.14Å; K125-D224 IonicContact NZ-OD2 2.65Å; K125-D224 PolarHBondContact NZ-OD2 3.22Å; R222-D224 WeakPolarHBondContact CB-OD1 3.46Å; R222-D224 IonicContact CZ-OD1 2.61Å; R222-D224 IonicContact CZ-OD2 2.71Å; R222-D224 IonicContact NE-OD1 2.68Å; R222-D224 PolarHBondContact NE-OD1 2.89Å; R222-D224 IonicContact NE-OD2 3.03Å; R222-D224 IonicContact NH2-OD1 3.87Å; R222-D224 PolarHBondContact NH2-OD1 3.12Å; R222-D224 IonicContact NH2-OD2 3.38Å; R222-D224 PolarHBondContact NH2-OD2 2.89Å; R222-D224 PolarHBondContact O-N 3.47Å
225	L	95.3	Very high	89.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.			trans	-78.7	134.3	-177	178.5	68	0	0	0	111	Q93 I196 L215 I218 R222	Q93-L225 WeakPolarHBondContact CG-O 3.26Å; I196-L225 HydrophobicContact CD1-CD1 4.04Å; I196-L225 HydrophobicContact CD1-CD2 4.27Å; I196-L225 HydrophobicContact CG1-CD1 4.03Å; L215-L225 HydrophobicContact CD2-CD2 4.41Å; I218-L225 HydrophobicContact CG2-CD2 3.74Å; R222-L225 HydrophobicContact CB-CB 4.05Å; R222-L225 PolarHBondContact O-N 3.17Å
226	K	97.2	Very high	88.9	Confident	22 Å²	22	41.7 Å²	41.7	10%	0.096	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.8	170.9	-58.1	-64.3	-171	167	0	111.5	L89 S90 N92 Q93 W116 G194 V195 I196	L89-K226 HydrophobicContact CD1-CB 3.82Å; L89-K226 HydrophobicContact CD1-CD 4.47Å; L89-K226 HydrophobicContact CD1-CG 4.1Å; L89-K226 WeakPolarHBondContact O-CE 3.39Å; L89-K226 PolarHBondContact O-NZ 2.91Å; S90-K226 PolarHBondContact O-NZ 2.73Å; N92-K226 WeakPolarHBondContact O-CD 3.45Å; N92-K226 PolarHBondContact O-NZ 3.41Å; Q93-K226 WeakPolarHBondContact O-CA 3.39Å; W116-K226 HydrophobicContact CH2-CD 4.31Å; W116-K226 HydrophobicContact CH2-CG 3.74Å; W116-K226 HydrophobicContact CZ2-CG 4.39Å; W116-K226 HydrophobicContact CZ3-CG 3.88Å; G194-K226 PolarHBondContact O-N 3.4Å; V195-K226 WeakPolarHBondContact CA-O 3.49Å; V195-K226 HydrophobicContact CG1-CB 4.25Å; V195-K226 HydrophobicContact CG2-CB 4.1Å; I196-K226 PolarHBondContact N-O 3Å
227	I	97.6	Very high	88.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.5	176.1	-60	169.1	0	0	0	110	Q93 V94 T95 I196 L215 T219 V229	Q93-I227 PolarHBondContact O-N 2.93Å; V94-I227 CarbonylContact C-O 3.55Å; V94-I227 WeakPolarHBondContact CA-O 3.35Å; V94-I227 HydrophobicContact CG1-CB 4.21Å; V94-I227 HydrophobicContact CG1-CG2 4.23Å; V94-I227 HydrophobicContact CG2-CB 4.22Å; V94-I227 HydrophobicContact CG2-CD1 4.29Å; T95-I227 PolarHBondContact N-O 3.31Å; I196-I227 WeakPolarHBondContact O-CA 3.29Å; L215-I227 HydrophobicContact CB-CD1 3.7Å; L215-I227 HydrophobicContact CD2-CD1 4.49Å; L215-I227 HydrophobicContact CG-CD1 4.48Å; T219-I227 HydrophobicContact CG2-CD1 3.31Å; T219-I227 HydrophobicContact CG2-CG1 4.25Å; I227-V229 HydrophobicContact CG2-CG2 4.09Å
228	V	97.7	Very high	88.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.9	171.6	-173.9	0	0	0	0	109.4	F85 L89 T95 L97 I109 V195 I196 L197 L198 M230	F85-V228 HydrophobicContact CE2-CG1 4.3Å; F85-V228 HydrophobicContact CE2-CG2 4.35Å; F85-V228 HydrophobicContact CZ-CG2 4.2Å; L89-V228 HydrophobicContact CD1-CG2 3.98Å; T95-V228 CarbonylContact O-C 3.55Å; T95-V228 WeakPolarHBondContact O-CA 3.37Å; L97-V228 HydrophobicContact CB-CG1 4.35Å; I109-V228 HydrophobicContact CG2-CG1 4.46Å; V195-V228 HydrophobicContact CG1-CG2 4.29Å; I196-V228 PolarHBondContact O-N 3.4Å; L197-V228 CarbonylContact C-O 3.59Å; L197-V228 VanDerWaalsContact CA-O 3.24Å; L197-V228 WeakPolarHBondContact CA-O 3.36Å; L197-V228 HydrophobicContact CB-CB 4.48Å; L197-V228 HydrophobicContact CD2-CB 4.12Å; L197-V228 HydrophobicContact CD2-CG1 4.38Å; L197-V228 HydrophobicContact CG-CB 4.03Å; L197-V228 HydrophobicContact CG-CG2 4.46Å; L198-V228 PolarHBondContact N-O 3.06Å; V228-M230 HydrophobicContact CG1-CG 3.84Å
229	V	96.5	Very high	88.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.6	176	-175.8	0	0	0	0	108.3	T95 V96 L97 L198 A201 I227 F239 F243	T95-V229 PolarHBondContact O-N 3.47Å; V96-V229 CarbonylContact C-O 3.56Å; V96-V229 WeakPolarHBondContact CA-O 3.38Å; L97-V229 PolarHBondContact N-O 2.78Å; L198-V229 HydrophobicContact CD1-CG2 4.49Å; A201-V229 HydrophobicContact CB-CG1 3.73Å; I227-V229 HydrophobicContact CG2-CG2 4.09Å; V229-F239 HydrophobicContact CG1-CB 4.5Å; V229-F239 HydrophobicContact CG1-CD1 3.79Å; V229-F239 HydrophobicContact CG1-CE1 4.32Å; V229-F239 HydrophobicContact CG1-CG 4.24Å; V229-F243 HydrophobicContact CG2-CD2 4.07Å; V229-F243 HydrophobicContact CG2-CE2 3.64Å; V229-F243 HydrophobicContact CG2-CZ 4.26Å
230	M	94.7	Very high	88.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.2	-177.2	-53.7	-171.9	-72.5	0	0	111.7	L97 K105 I109 L197 L198 D199 E200 A201 V228	L97-M230 HydrophobicContact CB-CG 4.28Å; L97-M230 CarbonylContact O-C 3.59Å; L97-M230 VanDerWaalsContact O-CA 3.25Å; L97-M230 WeakPolarHBondContact O-CA 3.43Å; K105-M230 HydrophobicContact CB-SD 3.98Å; I109-M230 HydrophobicContact CB-SD 3.97Å; I109-M230 HydrophobicContact CG1-SD 4.11Å; I109-M230 HydrophobicContact CG2-SD 4.06Å; L197-M230 HydrophobicContact CB-CE 4.05Å; L197-M230 HydrophobicContact CD2-CE 3.82Å; L197-M230 HydrophobicContact CD2-SD 4.1Å; L198-M230 PolarHBondContact O-N 2.59Å; D199-M230 HydrophobicContact CB-CE 3.56Å; D199-M230 WeakPolarHBondContact OD1-CB 3.11Å; D199-M230 WeakPolarHBondContact OD1-CE 3.29Å; E200-M230 PolarHBondContact N-O 3.26Å; A201-M230 PolarHBondContact N-O 3.47Å; V228-M230 HydrophobicContact CG1-CG 3.84Å
231	S	89.1	Confident	88.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	157.2	179.4	-180	0	0	0	0	112	L97 V98 G99 K105 H202 T233	L97-S231 PolarHBondContact O-N 2.73Å; V98-S231 WeakPolarHBondContact CA-O 3.45Å; G99-S231 PolarHBondContact N-O 2.91Å; K105-S231 WeakPolarHBondContact CE-O 3.35Å; H202-S231 WeakPolarHBondContact CB-OG 3.43Å; S231-T233 PolarHBondContact OG-N 3.2Å; S231-T233 VanDerWaalsContact OG-N 3.15Å; S231-T233 PolarHBondContact OG-O 2.84Å; S231-T233 PolarHBondContact OG-OG1 3.43Å
232	A	81.5	Confident	88.2	Confident	13 Å²	13	36 Å²	36	11%	0.107	19%	0.194	C	C	.	.	S	Bend	trans	-101.4	-8.8	172.2	0	0	0	0	0	113.3	G99 T101 H202	G99-A232 WeakPolarHBondContact O-CA 3.43Å; T101-A232 HydrophobicContact CG2-CB 3.73Å; H202-A232 PolarHBondContact ND1-N 3.44Å
233	T	74.2	Confident	88.2	Confident	24 Å²	24	35.6 Å²	35.6	15%	0.147	19%	0.193	C	C	.	.	S	Bend	trans	-111.1	156.5	-176.4	61.5	0	0	0	0	112	H202 S231 D235	H202-T233 HydrophobicContact CB-CG2 4.22Å; H202-T233 WeakPolarHBondContact CB-OG1 3.48Å; S231-T233 PolarHBondContact OG-N 3.2Å; S231-T233 VanDerWaalsContact OG-N 3.15Å; S231-T233 PolarHBondContact OG-O 2.84Å; S231-T233 PolarHBondContact OG-OG1 3.43Å; T233-D235 PolarHBondContact O-N 2.74Å
234	L	60.2	Low	88.2	Confident	159 Å²	159	35.5 Å²	35.5	83%	0.832	19%	0.188	S	C	*	.	S	Bend	trans	-75.2	-0.2	-178.6	-77	163	0	0	0	114.3	A236	L234-A236 PolarHBondContact O-N 2.67Å
235	D	69.5	Low	88.1	Confident	67 Å²	67	39.6 Å²	39.6	36%	0.358	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	27.8	173.1	-154.4	1.9	0	0	0	112.6	T233 G237 K238 F239 N436	T233-D235 PolarHBondContact O-N 2.74Å; D235-G237 PolarHBondContact O-N 2.96Å; D235-K238 PolarHBondContact O-N 3.47Å; D235-F239 WeakPolarHBondContact O-CD2 3.47Å; D235-N436 PolarHBondContact OD2-ND2 3.39Å
236	A	74	Confident	88	Confident	5 Å²	5	40 Å²	40	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-32.8	179.5	0	0	0	0	0	112.2	V98 L234 K238 F239 Q240 L248	V98-A236 HydrophobicContact CG2-CB 3.46Å; V98-A236 VanDerWaalsContact CG2-CB 3.46Å; L234-A236 PolarHBondContact O-N 2.67Å; A236-K238 PolarHBondContact O-N 2.94Å; A236-F239 PolarHBondContact O-N 3.23Å; A236-F239 VanDerWaalsContact O-N 3.09Å; A236-Q240 WeakPolarHBondContact O-CG 3.49Å; A236-Q240 PolarHBondContact O-N 2.79Å; A236-L248 HydrophobicContact CB-CD1 3.86Å; A236-L248 HydrophobicContact CB-CD2 3.97Å
237	G	84.4	Confident	87.9	Confident	33 Å²	33	40.7 Å²	40.7	34%	0.34	21%	0.213	S	C	.	.	H	α-helix	trans	-56.9	-39.8	-180	0	0	0	0	0	111.8	D235 F239 Q240 D241	D235-G237 PolarHBondContact O-N 2.96Å; G237-F239 PolarHBondContact O-N 2.96Å; G237-Q240 PolarHBondContact O-N 2.86Å; G237-D241 WeakPolarHBondContact O-CB 3.36Å; G237-D241 PolarHBondContact O-N 3.47Å
238	K	89.4	Confident	87.7	Confident	67 Å²	67	43.8 Å²	43.8	29%	0.291	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-41.3	177.4	-165.5	174.6	-168.4	172.5	0	112.4	D235 A236 Y242 M467 D468	D235-K238 PolarHBondContact O-N 3.47Å; A236-K238 PolarHBondContact O-N 2.94Å; K238-Y242 VanDerWaalsContact O-CB 3.24Å; K238-Y242 WeakPolarHBondContact O-CB 3.4Å; K238-Y242 PolarHBondContact O-N 3.33Å; K238-M467 HydrophobicContact CD-CG 4.28Å; K238-M467 HydrophobicContact CD-SD 4.2Å; K238-M467 HydrophobicContact CG-CG 4.31Å; K238-M467 HydrophobicContact CG-SD 4.18Å; K238-D468 WeakPolarHBondContact CE-OD2 3.36Å; K238-D468 IonicContact NZ-OD1 3.53Å; K238-D468 PolarHBondContact NZ-OD1 2.92Å; K238-D468 IonicContact NZ-OD2 3.31Å; K238-D468 PolarHBondContact NZ-OD2 2.59Å
239	F	91.8	Very high	87.4	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.022	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-41.9	176.6	-63.9	-78.8	0	0	0	112.1	V96 A201 M212 V229 D235 A236 G237 Y242 F243 M467	V96-F239 HydrophobicContact CG1-CB 4.15Å; V96-F239 HydrophobicContact CG2-CB 4.17Å; A201-F239 HydrophobicContact CB-CD1 4.49Å; A201-F239 HydrophobicContact CB-CE1 3.74Å; A201-F239 HydrophobicContact CB-CZ 3.95Å; M212-F239 HydrophobicContact CE-CE1 4.26Å; M212-F239 HydrophobicContact SD-CD1 3.92Å; M212-F239 HydrophobicContact SD-CE1 3.81Å; V229-F239 HydrophobicContact CG1-CB 4.5Å; V229-F239 HydrophobicContact CG1-CD1 3.79Å; V229-F239 HydrophobicContact CG1-CE1 4.32Å; V229-F239 HydrophobicContact CG1-CG 4.24Å; D235-F239 WeakPolarHBondContact O-CD2 3.47Å; A236-F239 PolarHBondContact O-N 3.23Å; A236-F239 VanDerWaalsContact O-N 3.09Å; G237-F239 PolarHBondContact O-N 2.96Å; F239-Y242 PolarHBondContact O-N 3.49Å; F239-F243 WeakPolarHBondContact O-CD2 3.45Å; F239-F243 PolarHBondContact O-N 3.21Å; F239-M467 HydrophobicContact CD1-CE 3.56Å; F239-M467 HydrophobicContact CD1-SD 4.22Å; F239-M467 HydrophobicContact CE1-CE 3.9Å; F239-M467 HydrophobicContact CE1-SD 4.06Å; F239-M467 HydrophobicContact CG-CE 4.36Å
240	Q	93	Very high	87.2	Confident	43 Å²	43	47.8 Å²	47.8	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-49.3	175.7	-67.8	-173.5	-91.5	0	0	111	V96 A236 G237 Y242 F243 H244 K245 A246 L248	V96-Q240 HydrophobicContact CB-CG 4.26Å; V96-Q240 HydrophobicContact CG2-CG 4.08Å; A236-Q240 WeakPolarHBondContact O-CG 3.49Å; A236-Q240 PolarHBondContact O-N 2.79Å; G237-Q240 PolarHBondContact O-N 2.86Å; Q240-Y242 VanDerWaalsContact C-N 3.32Å; Q240-Y242 PolarHBondContact O-N 3.28Å; Q240-F243 CarbonylContact O-C 3.52Å; Q240-F243 VanDerWaalsContact O-C 3.3Å; Q240-F243 PolarHBondContact O-N 2.85Å; Q240-H244 PolarHBondContact O-N 3.11Å; Q240-K245 WeakPolarHBondContact O-CA 3.17Å; Q240-K245 PolarHBondContact O-N 3.42Å; Q240-A246 WeakPolarHBondContact CG-O 3.48Å; Q240-A246 PolarHBondContact NE2-O 3.02Å; Q240-A246 PolarHBondContact O-N 3.12Å; Q240-L248 HydrophobicContact CG-CB 4.1Å; Q240-L248 VanDerWaalsContact NE2-CB 3.26Å
241	D	92.9	Very high	86.9	Confident	86 Å²	86	47.9 Å²	47.9	46%	0.46	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-42.5	-177.2	-73.8	9.7	0	0	0	111.2	G237 F243 H244 K245	G237-D241 WeakPolarHBondContact O-CB 3.36Å; G237-D241 PolarHBondContact O-N 3.47Å; D241-F243 PolarHBondContact O-N 2.83Å; D241-H244 PolarHBondContact O-N 3.27Å; D241-K245 VanDerWaalsContact OD1-CD 3.29Å; D241-K245 WeakPolarHBondContact OD1-CD 3.36Å; D241-K245 VanDerWaalsContact OD1-CE 3.31Å; D241-K245 WeakPolarHBondContact OD1-CE 3.43Å; D241-K245 IonicContact OD1-NZ 3.03Å; D241-K245 PolarHBondContact OD1-NZ 3.25Å; D241-K245 IonicContact OD2-NZ 3.35Å; D241-K245 PolarHBondContact OD2-NZ 2.76Å
242	Y	93.9	Very high	86.5	Confident	19 Å²	19	51.1 Å²	51.1	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-42.8	176	-177.6	-99.4	0	0	0	112.5	M212 G213 K216 K238 F239 Q240 H244 D465 M467	M212-Y242 HydrophobicContact CB-CE1 3.86Å; G213-Y242 WeakPolarHBondContact CA-OH 3.19Å; G213-Y242 PolarHBondContact N-OH 2.9Å; K216-Y242 HydrophobicContact CD-CE1 3.98Å; K216-Y242 VanDerWaalsContact CE-O 3.26Å; K216-Y242 WeakPolarHBondContact CE-O 3.31Å; K216-Y242 PolarHBondContact NZ-O 3.43Å; K238-Y242 VanDerWaalsContact O-CB 3.24Å; K238-Y242 WeakPolarHBondContact O-CB 3.4Å; K238-Y242 PolarHBondContact O-N 3.33Å; F239-Y242 PolarHBondContact O-N 3.49Å; Q240-Y242 VanDerWaalsContact C-N 3.32Å; Q240-Y242 PolarHBondContact O-N 3.28Å; Y242-H244 VanDerWaalsContact C-N 3.29Å; Y242-H244 PolarHBondContact O-N 2.89Å; Y242-D465 VanDerWaalsContact CE2-O 3.3Å; Y242-D465 WeakPolarHBondContact CE2-O 3.05Å; Y242-D465 VanDerWaalsContact CZ-O 3.31Å; Y242-D465 PolarHBondContact OH-O 3.18Å; Y242-M467 HydrophobicContact CD1-CE 3.65Å; Y242-M467 HydrophobicContact CD2-CB 3.91Å; Y242-M467 HydrophobicContact CD2-CE 4.26Å; Y242-M467 HydrophobicContact CD2-CG 4.22Å; Y242-M467 HydrophobicContact CE1-CE 4.36Å; Y242-M467 HydrophobicContact CE2-CB 3.93Å; Y242-M467 HydrophobicContact CG-CB 4.36Å; Y242-M467 HydrophobicContact CG-CE 3.57Å; Y242-M467 HydrophobicContact CG-CG 4.4Å
243	F	94	Very high	86	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.035	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	45.7	175.2	-71.4	-75.2	0	0	0	112.9	V94 M212 K216 V229 F239 Q240 D241 K245 A246	V94-F243 HydrophobicContact CB-CB 4.4Å; V94-F243 HydrophobicContact CG1-CB 3.84Å; V94-F243 HydrophobicContact CG1-CD1 3.98Å; V94-F243 HydrophobicContact CG1-CD2 4.3Å; V94-F243 HydrophobicContact CG1-CG 3.79Å; V94-F243 HydrophobicContact CG2-CD1 4.18Å; M212-F243 HydrophobicContact CB-CE2 4.44Å; M212-F243 HydrophobicContact CB-CZ 4.02Å; M212-F243 HydrophobicContact CG-CE2 4.17Å; M212-F243 HydrophobicContact CG-CZ 4.05Å; M212-F243 HydrophobicContact SD-CE2 4.21Å; K216-F243 HydrophobicContact CB-CD1 4.48Å; K216-F243 HydrophobicContact CB-CE1 4.04Å; V229-F243 HydrophobicContact CG2-CD2 4.07Å; V229-F243 HydrophobicContact CG2-CE2 3.64Å; V229-F243 HydrophobicContact CG2-CZ 4.26Å; F239-F243 WeakPolarHBondContact O-CD2 3.45Å; F239-F243 PolarHBondContact O-N 3.21Å; Q240-F243 CarbonylContact O-C 3.52Å; Q240-F243 VanDerWaalsContact O-C 3.3Å; Q240-F243 PolarHBondContact O-N 2.85Å; D241-F243 PolarHBondContact O-N 2.83Å; F243-K245 PolarHBondContact O-N 3.15Å; F243-A246 HydrophobicContact CB-CB 3.98Å; F243-A246 WeakPolarHBondContact O-CB 3.5Å; F243-A246 PolarHBondContact O-N 3.44Å; F243-A246 VanDerWaalsContact O-N 3.15Å
244	H	91.5	Very high	85.7	Confident	135 Å²	135	57 Å²	57	63%	0.625	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	45.5	171.6	-54.6	-64.1	0	0	0	114.9	K216 Q240 D241 Y242 A246	K216-H244 WeakPolarHBondContact CE-NE2 3.43Å; Q240-H244 PolarHBondContact O-N 3.11Å; D241-H244 PolarHBondContact O-N 3.27Å; Y242-H244 VanDerWaalsContact C-N 3.29Å; Y242-H244 PolarHBondContact O-N 2.89Å; H244-A246 VanDerWaalsContact C-N 3.34Å
245	K	91.3	Very high	86.1	Confident	146 Å²	146	52.3 Å²	52.3	64%	0.635	28%	0.277	S	S	*	.	S	Bend	trans	60.8	40.5	-177.3	-55.5	-68.8	179.2	177.3	0	112.7	Q240 D241 F243	Q240-K245 WeakPolarHBondContact O-CA 3.17Å; Q240-K245 PolarHBondContact O-N 3.42Å; D241-K245 VanDerWaalsContact OD1-CD 3.29Å; D241-K245 WeakPolarHBondContact OD1-CD 3.36Å; D241-K245 VanDerWaalsContact OD1-CE 3.31Å; D241-K245 WeakPolarHBondContact OD1-CE 3.43Å; D241-K245 IonicContact OD1-NZ 3.03Å; D241-K245 PolarHBondContact OD1-NZ 3.25Å; D241-K245 IonicContact OD2-NZ 3.35Å; D241-K245 PolarHBondContact OD2-NZ 2.76Å; F243-K245 PolarHBondContact O-N 3.15Å
246	A	93.6	Very high	86.7	Confident	7 Å²	7	52.8 Å²	52.8	6%	0.058	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-51.1	145.6	174.3	0	0	0	0	0	111.8	V94 V96 Q240 F243 H244 L248	V94-A246 HydrophobicContact CB-CB 4.18Å; V94-A246 HydrophobicContact CG1-CB 4.14Å; V96-A246 HydrophobicContact CG2-CB 4.13Å; Q240-A246 WeakPolarHBondContact CG-O 3.48Å; Q240-A246 PolarHBondContact NE2-O 3.02Å; Q240-A246 PolarHBondContact O-N 3.12Å; F243-A246 HydrophobicContact CB-CB 3.98Å; F243-A246 WeakPolarHBondContact O-CB 3.5Å; F243-A246 PolarHBondContact O-N 3.44Å; F243-A246 VanDerWaalsContact O-N 3.15Å; H244-A246 VanDerWaalsContact C-N 3.34Å; A246-L248 PolarHBondContact O-N 3.24Å
247	P	95.1	Very high	87.4	Confident	37 Å²	37	57.1 Å²	57.1	24%	0.24	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-60.5	138.7	178	27.9	-38.7	0	0	0	111.3	T88 N92 V94 V96	T88-P247 HydrophobicContact CG2-CB 3.84Å; T88-P247 HydrophobicContact CG2-CG 3.58Å; N92-P247 HydrophobicContact CB-CG 3.85Å; V94-P247 WeakPolarHBondContact O-CD 3.41Å; V96-P247 PolarHBondContact N-O 3.08Å
248	L	93.1	Very high	87.7	Confident	65 Å²	65	57.5 Å²	57.5	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.5	173.6	172.8	63.7	0	0	0	110.3	V96 V98 A236 Q240 A246	V96-L248 HydrophobicContact CB-CD1 4.27Å; V96-L248 HydrophobicContact CG1-CD1 3.91Å; V96-L248 CarbonylContact O-C 3.51Å; V96-L248 WeakPolarHBondContact O-CA 3.35Å; V98-L248 HydrophobicContact CB-CD1 4.11Å; V98-L248 HydrophobicContact CG2-CD1 3.52Å; A236-L248 HydrophobicContact CB-CD1 3.86Å; A236-L248 HydrophobicContact CB-CD2 3.97Å; Q240-L248 HydrophobicContact CG-CB 4.1Å; Q240-L248 VanDerWaalsContact NE2-CB 3.26Å; A246-L248 PolarHBondContact O-N 3.24Å
249	M	92.7	Very high	88	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.069	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.8	169.6	-175	-172.4	178.7	0	0	109	Y81 F85 V96 L97 V98 V251	Y81-M249 HydrophobicContact CD1-CE 4.28Å; Y81-M249 HydrophobicContact CG-CE 4.03Å; Y81-M249 WeakPolarHBondContact O-CE 3.1Å; F85-M249 HydrophobicContact CB-CE 3.8Å; F85-M249 HydrophobicContact CB-SD 3.94Å; F85-M249 HydrophobicContact CD2-SD 3.79Å; F85-M249 HydrophobicContact CG-SD 4.37Å; V96-M249 PolarHBondContact O-N 2.79Å; L97-M249 CarbonylContact C-O 3.47Å; L97-M249 WeakPolarHBondContact CA-O 3.41Å; L97-M249 HydrophobicContact CD1-SD 3.77Å; L97-M249 HydrophobicContact CG-SD 4.28Å; V98-M249 PolarHBondContact N-O 2.78Å; M249-V251 HydrophobicContact CE-CG2 4.32Å
250	T	91.7	Very high	88.2	Confident	71 Å²	71	62.5 Å²	62.5	44%	0.436	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.1	178.6	-55.8	0	0	0	0	110	V98	V98-T250 CarbonylContact O-C 3.54Å; V98-T250 WeakPolarHBondContact O-CA 3.48Å
251	V	87.8	Confident	88.5	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	109.3	173.4	-178.8	0	0	0	0	107.7	P77 V78 Y81 V98 G99 M249 G253	P77-V251 HydrophobicContact CB-CG1 3.87Å; V78-V251 HydrophobicContact CG1-CB 4.47Å; V78-V251 HydrophobicContact CG1-CG1 3.96Å; V78-V251 HydrophobicContact CG1-CG2 4.21Å; Y81-V251 HydrophobicContact CD2-CG1 4.28Å; Y81-V251 HydrophobicContact CD2-CG2 4.36Å; Y81-V251 HydrophobicContact CE2-CG1 4.39Å; Y81-V251 HydrophobicContact CG-CG2 4.47Å; V98-V251 PolarHBondContact O-N 3.2Å; G99-V251 WeakPolarHBondContact CA-O 3.5Å; M249-V251 HydrophobicContact CE-CG2 4.32Å; V251-G253 PolarHBondContact O-N 3.26Å
252	P	81.9	Confident	88.7	Confident	67 Å²	67	62 Å²	62	44%	0.435	32%	0.317	S	S	.	.			trans	-60.9	137.5	176.8	26.4	-32.3	0	0	0	109.4	Y81	Y81-P252 HydrophobicContact CE2-CG 4.3Å; Y81-P252 WeakPolarHBondContact OH-CD 3.37Å; Y81-P252 WeakPolarHBondContact OH-CG 3.49Å
253	G	70.1	Confident	88.8	Confident	25 Å²	25	62 Å²	62	26%	0.258	32%	0.319	S	S	.	.			trans	-70.7	159.4	172.9	0	0	0	0	0	111.9	E100 V251	E100-G253 WeakPolarHBondContact OE2-CA 3.36Å; V251-G253 PolarHBondContact O-N 3.26Å
254	R	67.4	Low	88.9	Confident	137 Å²	137	67.5 Å²	67.5	52%	0.517	36%	0.356	S	S	.	.			trans	-110.6	41.8	163.9	-69.5	-177.4	-175.1	167.9	1.5	109.7	K75 P77 E80 H256	K75-R254 PolarHBondContact O-NH1 2.85Å; P77-R254 HydrophobicContact CG-CB 4.16Å; P77-R254 HydrophobicContact CG-CG 3.9Å; E80-R254 IonicContact OE1-CZ 3.87Å; E80-R254 IonicContact OE1-NH2 2.91Å; E80-R254 PolarHBondContact OE1-NH2 3.44Å; R254-H256 PolarHBondContact O-N 2.58Å
255	T	68.1	Low	89	Confident	59 Å²	59	68 Å²	68	36%	0.362	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-66.6	133.9	174.3	43.6	0	0	0	0	109.2	E100	E100-T255 WeakPolarHBondContact OE2-CB 3.43Å; E100-T255 WeakPolarHBondContact OE2-CG2 3.37Å; E100-T255 PolarHBondContact OE2-OG1 2.77Å
256	H	83.3	Confident	89.2	Confident	77 Å²	77	66 Å²	66	36%	0.356	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-70	152.6	166.6	-66.4	-82.8	0	0	0	109.3	R254 V258 G413 R416 P417	R254-H256 PolarHBondContact O-N 2.58Å; H256-V258 PolarHBondContact O-N 3.06Å; H256-G413 WeakPolarHBondContact CB-O 3.29Å; H256-G413 PolarHBondContact N-O 3.34Å; H256-R416 WeakPolarHBondContact CB-O 3.42Å; H256-R416 VanDerWaalsContact CD2-CA 3.48Å; H256-R416 WeakPolarHBondContact CD2-CA 3.3Å; H256-R416 PolarHBondContact CD2-N 2.68Å; H256-P417 HydrophobicContact CB-CB 4.42Å; H256-P417 HydrophobicContact CB-CG 4.08Å; H256-P417 VanDerWaalsContact CB-N 3.32Å
257	P	88.2	Confident	89.1	Confident	97 Å²	97	68.8 Å²	68.8	63%	0.63	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-57.6	140.5	179.3	23.7	-33.8	0	0	0	111.3	P417 G418	P257-P417 HydrophobicContact CG-CB 4.27Å; P257-P417 HydrophobicContact CG-CG 4.41Å; P257-P417 WeakPolarHBondContact O-CA 3.48Å; P257-G418 PolarHBondContact O-N 3.11Å; P257-G418 VanDerWaalsContact O-N 3.13Å
258	V	90.5	Very high	88.8	Confident	40 Å²	40	79 Å²	79	24%	0.242	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118	174.6	-176.4	0	0	0	0	108.7	H256 I260 A412 G413 G418 C420	H256-V258 PolarHBondContact O-N 3.06Å; V258-I260 HydrophobicContact CG1-CD1 4.01Å; V258-A412 HydrophobicContact CG1-CB 4.01Å; V258-A412 HydrophobicContact CG2-CB 4.2Å; V258-G413 VanDerWaalsContact CG2-CA 3.49Å; V258-G418 VanDerWaalsContact CA-O 3.31Å; V258-G418 WeakPolarHBondContact CA-O 3.47Å; V258-C420 HydrophobicContact CG1-CB 3.92Å
259	E	96	Very high	88.8	Confident	114 Å²	114	79.9 Å²	79.9	53%	0.533	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.7	172.6	-67.9	173.2	-162	0	0	109.5	F261 G418 K419 C420	E259-F261 HydrophobicContact CB-CE2 3.7Å; E259-F261 HydrophobicContact CB-CZ 4.05Å; E259-F261 WeakPolarHBondContact OE2-CZ 3.29Å; E259-G418 PolarHBondContact N-O 3.22Å; E259-K419 HydrophobicContact CB-CG 4.32Å; E259-K419 CarbonylContact O-C 3.54Å; E259-K419 WeakPolarHBondContact O-CA 3.43Å; E259-C420 PolarHBondContact O-N 3.32Å
260	I	97	Very high	89	Confident	63 Å²	63	81.7 Å²	81.7	32%	0.323	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.1	-179.8	-52.6	-58.6	0	0	0	109	V258 Y262 A409 C420 R422	V258-I260 HydrophobicContact CG1-CD1 4.01Å; I260-Y262 HydrophobicContact CG2-CD2 4.35Å; I260-Y262 HydrophobicContact CG2-CE1 4.27Å; I260-Y262 HydrophobicContact CG2-CE2 3.77Å; I260-A409 HydrophobicContact CD1-CB 3.72Å; I260-C420 HydrophobicContact CD1-CB 3.68Å; I260-R422 HydrophobicContact CG2-CG 4.28Å
261	F	97.8	Very high	89.2	Confident	51 Å²	51	79.6 Å²	79.6	22%	0.224	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.2	174.3	-60	-87.8	0	0	0	109.5	I9 E259 K419 C420 F421 R422	I9-F261 HydrophobicContact CD1-CD1 4.09Å; I9-F261 HydrophobicContact CD1-CE1 4.29Å; E259-F261 HydrophobicContact CB-CE2 3.7Å; E259-F261 HydrophobicContact CB-CZ 4.05Å; E259-F261 WeakPolarHBondContact OE2-CZ 3.29Å; F261-K419 HydrophobicContact CD2-CB 4.34Å; F261-K419 HydrophobicContact CE2-CB 3.88Å; F261-K419 HydrophobicContact CE2-CD 3.78Å; F261-K419 HydrophobicContact CE2-CG 3.83Å; F261-K419 HydrophobicContact CZ-CD 4.24Å; F261-C420 PolarHBondContact N-O 2.93Å; F261-F421 HydrophobicContact CB-CD1 3.89Å; F261-F421 HydrophobicContact CB-CE1 4.37Å; F261-F421 HydrophobicContact CD2-CD1 4.02Å; F261-F421 AromaticContact CD2-CE1 3.83Å; F261-F421 HydrophobicContact CD2-CE1 3.83Å; F261-F421 HydrophobicContact CD2-CZ 4.32Å; F261-F421 HydrophobicContact CE2-CE1 4.37Å; F261-F421 HydrophobicContact CG-CD1 4.09Å; F261-F421 HydrophobicContact CG-CE1 4.07Å; F261-R422 WeakPolarHBondContact O-CB 3.35Å; F261-R422 PolarHBondContact O-N 3.5Å
262	Y	97.9	Very high	89.5	Confident	67 Å²	67	83 Å²	83	26%	0.263	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	154.3	175	-64.8	-79.3	0	0	0	110.1	I260 R422 Y424 E426 Y429	I260-Y262 HydrophobicContact CG2-CD2 4.35Å; I260-Y262 HydrophobicContact CG2-CE1 4.27Å; I260-Y262 HydrophobicContact CG2-CE2 3.77Å; Y262-R422 HydrophobicContact CD1-CB 3.85Å; Y262-R422 HydrophobicContact CE1-CB 4.14Å; Y262-R422 HydrophobicContact CE1-CG 4.37Å; Y262-R422 PolarHBondContact OH-NH1 2.78Å; Y262-Y424 WeakPolarHBondContact CB-O 3.47Å; Y262-Y424 HydrophobicContact CD1-CD2 4.35Å; Y262-Y424 HydrophobicContact CD1-CE2 4.43Å; Y262-Y424 WeakPolarHBondContact CD1-O 3.13Å; Y262-Y424 HydrophobicContact CE1-CD2 4.46Å; Y262-Y424 HydrophobicContact CE1-CE2 4.16Å; Y262-E426 HydrophobicContact CD1-CB 4.27Å; Y262-E426 HydrophobicContact CD2-CB 3.76Å; Y262-E426 HydrophobicContact CD2-CG 4.15Å; Y262-E426 HydrophobicContact CE1-CB 4.43Å; Y262-E426 HydrophobicContact CE2-CB 3.94Å; Y262-E426 HydrophobicContact CE2-CG 3.84Å; Y262-E426 HydrophobicContact CG-CB 3.92Å; Y262-Y429 HydrophobicContact CE1-CG 4.21Å
263	T	96.5	Very high	90.3	Very high	19 Å²	19	79.8 Å²	79.8	12%	0.117	40%	0.399	C	S	.	.			trans	-74.9	146.3	168.9	58.9	0	0	0	0	110.2	E265 E267 R422 Y424 T425	T263-E265 VanDerWaalsContact C-N 3.3Å; T263-E265 WeakPolarHBondContact CB-O 3.29Å; T263-E265 PolarHBondContact OG1-O 2.97Å; T263-E267 HydrophobicContact CG2-CG 4.16Å; T263-R422 PolarHBondContact N-O 3.4Å; T263-Y424 PolarHBondContact N-O 3.22Å; T263-Y424 VanDerWaalsContact OG1-C 3.26Å; T263-Y424 WeakPolarHBondContact OG1-CA 3.31Å; T263-Y424 PolarHBondContact OG1-N 3.36Å; T263-T425 WeakPolarHBondContact O-CA 3.39Å
264	P	95	Very high	91.6	Very high	124 Å²	124	78.6 Å²	78.6	81%	0.805	39%	0.386	S	S	*	.	S	Bend	trans	-68.6	-32.7	177.2	27	-33.8	0	0	0	112
265	E	94.6	Very high	93	Very high	146 Å²	146	72 Å²	72	68%	0.682	36%	0.362	S	S	*	.	S	Bend	trans	-129.6	157	179.9	-63.7	-174.3	177	0	0	110.9	T263	T263-E265 VanDerWaalsContact C-N 3.3Å; T263-E265 WeakPolarHBondContact CB-O 3.29Å; T263-E265 PolarHBondContact OG1-O 2.97Å
266	P	94.2	Very high	94.4	Very high	104 Å²	104	74.6 Å²	74.6	68%	0.675	37%	0.365	S	S	*	.			trans	-64	132.4	174.7	-20.5	33.1	0	0	0	112.5	T425	P266-T425 HydrophobicContact CG-CG2 4.18Å
267	E	91.8	Very high	95.1	Very high	66 Å²	66	71.6 Å²	71.6	31%	0.308	35%	0.352	S	S	.	.			trans	-83.9	126	176.9	-67.7	-73.6	-175.9	0	0	110.7	T263 A273 R276	T263-E267 HydrophobicContact CG2-CG 4.16Å; E267-A273 HydrophobicContact CB-CB 4.1Å; E267-A273 HydrophobicContact CG-CB 3.75Å; E267-R276 IonicContact OE1-CZ 3.75Å; E267-R276 IonicContact OE1-NH2 3.65Å; E267-R276 PolarHBondContact OE1-NH2 3.03Å; E267-R276 IonicContact OE2-NH2 2.74Å
268	R	89.4	Confident	95.5	Very high	252 Å²	252	67 Å²	67	95%	0.951	32%	0.322	S	S	*	.	S	Bend	trans	-74.3	-37.3	178.4	-68.1	-175.2	-179.1	-176.3	0.9	112.7
269	D	93.6	Very high	95.8	Very high	83 Å²	83	66 Å²	66	44%	0.444	32%	0.315	S	S	.	.			trans	-118.5	95.1	176.1	-171.3	-24	0	0	0	108.3	L271 E272 A273	D269-L271 PolarHBondContact O-N 2.84Å; D269-L271 WeakPolarHBondContact OD1-CB 3.45Å; D269-L271 PolarHBondContact OD1-N 2.84Å; D269-E272 HydrophobicContact CB-CB 4.01Å; D269-E272 PolarHBondContact O-N 3.44Å; D269-E272 PolarHBondContact OD1-N 2.95Å; D269-A273 PolarHBondContact O-N 2.78Å; D269-A273 VanDerWaalsContact O-N 3.11Å
270	Y	95.5	Very high	95.8	Very high	51 Å²	51	65.3 Å²	65.3	20%	0.2	31%	0.312	C	S	.	.	H	α-helix	trans	-69.7	-22	-178.5	67.4	-100.6	0	0	0	112.3	A274 T296 E300 P378 F380	Y270-A274 WeakPolarHBondContact O-CB 3.48Å; Y270-A274 PolarHBondContact O-N 2.85Å; Y270-T296 HydrophobicContact CE2-CG2 4.49Å; Y270-E300 WeakPolarHBondContact CE2-OE1 3.44Å; Y270-E300 PolarHBondContact OH-OE2 2.89Å; Y270-P378 HydrophobicContact CD2-CB 3.78Å; Y270-P378 HydrophobicContact CD2-CG 4.39Å; Y270-P378 HydrophobicContact CG-CB 4.22Å; Y270-F380 AromaticContact CD1-CD2 3.77Å; Y270-F380 HydrophobicContact CD1-CD2 3.77Å; Y270-F380 AromaticContact CD1-CE2 3.73Å; Y270-F380 HydrophobicContact CD1-CE2 3.73Å; Y270-F380 HydrophobicContact CD2-CD2 4.46Å; Y270-F380 HydrophobicContact CE1-CD2 4.03Å; Y270-F380 HydrophobicContact CE1-CE2 4.28Å; Y270-F380 HydrophobicContact CG-CD2 4.01Å; Y270-F380 HydrophobicContact CG-CE2 4.15Å
271	L	95.8	Very high	95.8	Very high	28 Å²	28	62.5 Å²	62.5	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-72	-45.4	177.3	177.7	63	0	0	0	109.8	D269 A274 I275 L295 E300 A304	D269-L271 PolarHBondContact O-N 2.84Å; D269-L271 WeakPolarHBondContact OD1-CB 3.45Å; D269-L271 PolarHBondContact OD1-N 2.84Å; L271-A274 PolarHBondContact O-N 2.83Å; L271-I275 HydrophobicContact CD1-CD1 4.19Å; L271-I275 HydrophobicContact CG-CD1 4.13Å; L271-I275 WeakPolarHBondContact O-CG1 3.31Å; L271-I275 PolarHBondContact O-N 2.5Å; L271-L295 HydrophobicContact CD1-CD1 4Å; L271-L295 HydrophobicContact CD1-CD2 4.18Å; L271-E300 HydrophobicContact CD1-CG 4.11Å; L271-E300 HydrophobicContact CD2-CG 4.34Å; L271-A304 HydrophobicContact CD1-CB 3.88Å
272	E	95.9	Very high	95.7	Very high	72 Å²	72	60.6 Å²	60.6	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-48.3	173.1	-170.8	61.7	-151.6	0	0	111.6	D269 A274 I275 R276 R307	D269-E272 HydrophobicContact CB-CB 4.01Å; D269-E272 PolarHBondContact O-N 3.44Å; D269-E272 PolarHBondContact OD1-N 2.95Å; E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 3.05Å; E272-I275 PolarHBondContact O-N 3.15Å; E272-R276 WeakPolarHBondContact O-CB 3Å; E272-R276 PolarHBondContact O-N 2.91Å; E272-R307 IonicContact OE1-NH2 3.75Å; E272-R307 PolarHBondContact OE1-NH2 2.91Å; E272-R307 IonicContact OE2-CZ 3.98Å; E272-R307 IonicContact OE2-NH1 2.88Å; E272-R307 PolarHBondContact OE2-NH1 3.06Å; E272-R307 IonicContact OE2-NH2 3.88Å; E272-R307 PolarHBondContact OE2-NH2 2.79Å
273	A	97	Very high	95.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-38.3	177.9	0	0	0	0	0	112	E267 D269 T277 L423	E267-A273 HydrophobicContact CB-CB 4.1Å; E267-A273 HydrophobicContact CG-CB 3.75Å; D269-A273 PolarHBondContact O-N 2.78Å; D269-A273 VanDerWaalsContact O-N 3.11Å; A273-T277 WeakPolarHBondContact O-CB 3.4Å; A273-T277 PolarHBondContact O-N 3.48Å; A273-T277 PolarHBondContact O-OG1 2.94Å; A273-L423 HydrophobicContact CB-CD1 4.05Å
274	A	97.9	Very high	95.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-48.9	176.7	0	0	0	0	0	112.2	Y270 L271 E272 T277 V278 L293 L295 P378 L423	Y270-A274 WeakPolarHBondContact O-CB 3.48Å; Y270-A274 PolarHBondContact O-N 2.85Å; L271-A274 PolarHBondContact O-N 2.83Å; E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 3.05Å; A274-T277 PolarHBondContact O-N 3.13Å; A274-V278 WeakPolarHBondContact O-CG2 3.43Å; A274-V278 PolarHBondContact O-N 2.74Å; A274-L293 HydrophobicContact CB-CD1 3.66Å; A274-L293 HydrophobicContact CB-CD2 4.12Å; A274-L295 HydrophobicContact CB-CD2 4.46Å; A274-P378 HydrophobicContact CB-CG 4.34Å; A274-L423 HydrophobicContact CB-CD1 3.82Å
275	I	97.4	Very high	95.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-49	178.6	-66	165.4	0	0	0	109.9	L271 E272 T277 V278 I279 R307 I308	L271-I275 HydrophobicContact CD1-CD1 4.19Å; L271-I275 HydrophobicContact CG-CD1 4.13Å; L271-I275 WeakPolarHBondContact O-CG1 3.31Å; L271-I275 PolarHBondContact O-N 2.5Å; E272-I275 PolarHBondContact O-N 3.15Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 2.8Å; I275-V278 WeakPolarHBondContact O-CB 3.37Å; I275-V278 PolarHBondContact O-N 2.91Å; I275-V278 VanDerWaalsContact O-N 3.08Å; I275-I279 WeakPolarHBondContact O-CG1 3.37Å; I275-I279 PolarHBondContact O-N 3.39Å; I275-R307 HydrophobicContact CD1-CB 3.81Å; I275-R307 HydrophobicContact CD1-CG 4.41Å; I275-R307 VanDerWaalsContact CD1-CZ 3.49Å; I275-I308 HydrophobicContact CB-CG1 4.41Å; I275-I308 HydrophobicContact CG1-CD1 4.47Å; I275-I308 HydrophobicContact CG1-CG1 4.08Å; I275-I308 HydrophobicContact CG2-CG1 3.98Å
276	R	96.9	Very high	94.9	Very high	112 Å²	112	62.5 Å²	62.5	42%	0.423	30%	0.298	S	S	.	.	H	α-helix	trans	-54.4	-42.7	175.5	-175.4	179.3	67.9	-137.7	2.3	112.1	E267 E272 I279 Q280	E267-R276 IonicContact OE1-CZ 3.75Å; E267-R276 IonicContact OE1-NH2 3.65Å; E267-R276 PolarHBondContact OE1-NH2 3.03Å; E267-R276 IonicContact OE2-NH2 2.74Å; E272-R276 WeakPolarHBondContact O-CB 3Å; E272-R276 PolarHBondContact O-N 2.91Å; R276-I279 PolarHBondContact O-N 2.9Å; R276-Q280 WeakPolarHBondContact O-CB 3.44Å; R276-Q280 PolarHBondContact O-N 2.88Å
277	T	97.6	Very high	94.7	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.086	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-40.5	178.4	-56.3	0	0	0	0	111.8	A273 A274 I275 I279 Q280 I281 I376 F421	A273-T277 WeakPolarHBondContact O-CB 3.4Å; A273-T277 PolarHBondContact O-N 3.48Å; A273-T277 PolarHBondContact O-OG1 2.94Å; A274-T277 PolarHBondContact O-N 3.13Å; I275-T277 VanDerWaalsContact C-N 3.26Å; I275-T277 PolarHBondContact O-N 2.8Å; T277-I279 PolarHBondContact O-N 3.48Å; T277-Q280 PolarHBondContact O-N 2.74Å; T277-I281 HydrophobicContact CG2-CD1 3.84Å; T277-I281 HydrophobicContact CG2-CG1 4.42Å; T277-I281 WeakPolarHBondContact O-CD1 3.32Å; T277-I281 VanDerWaalsContact O-CG1 3.26Å; T277-I281 WeakPolarHBondContact O-CG1 3.41Å; T277-I281 PolarHBondContact O-N 2.97Å; T277-I376 HydrophobicContact CG2-CD1 3.89Å; T277-I376 HydrophobicContact CG2-CG1 3.97Å; T277-I376 HydrophobicContact CG2-CG2 4.22Å; T277-F421 HydrophobicContact CG2-CB 3.94Å; T277-F421 HydrophobicContact CG2-CD1 4.49Å; T277-F421 HydrophobicContact CG2-CD2 4.49Å; T277-F421 HydrophobicContact CG2-CG 4.07Å
278	V	97.9	Very high	94.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.4	-50.3	173.6	171.9	0	0	0	0	110.6	A274 I275 Q280 I281 H282 I291 L293 I308 L322 V356 I376	A274-V278 WeakPolarHBondContact O-CG2 3.43Å; A274-V278 PolarHBondContact O-N 2.74Å; I275-V278 WeakPolarHBondContact O-CB 3.37Å; I275-V278 PolarHBondContact O-N 2.91Å; I275-V278 VanDerWaalsContact O-N 3.08Å; V278-Q280 PolarHBondContact O-N 3.47Å; V278-I281 PolarHBondContact O-N 2.94Å; V278-H282 WeakPolarHBondContact O-CB 3.41Å; V278-H282 PolarHBondContact O-N 3Å; V278-I291 HydrophobicContact CG1-CD1 4.2Å; V278-I291 HydrophobicContact CG2-CG2 4.44Å; V278-L293 HydrophobicContact CG2-CD2 4Å; V278-I308 HydrophobicContact CB-CD1 4.43Å; V278-I308 HydrophobicContact CG1-CD1 4.26Å; V278-I308 HydrophobicContact CG1-CG1 4.43Å; V278-I308 HydrophobicContact CG1-CG2 4.05Å; V278-I308 HydrophobicContact CG2-CD1 4.15Å; V278-L322 HydrophobicContact CG1-CD2 4.06Å; V278-V356 HydrophobicContact CG1-CG2 4.16Å; V278-V356 HydrophobicContact CG2-CG2 4.31Å; V278-I376 HydrophobicContact CB-CD1 4.23Å; V278-I376 HydrophobicContact CG2-CD1 3.34Å
279	I	96.4	Very high	95	Very high	20 Å²	20	51.4 Å²	51.4	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-43.8	-179.3	-59.6	-56.9	0	0	0	110.9	I275 R276 T277 I281 H282 M283 E311 V312 L315	I275-I279 WeakPolarHBondContact O-CG1 3.37Å; I275-I279 PolarHBondContact O-N 3.39Å; R276-I279 PolarHBondContact O-N 2.9Å; T277-I279 PolarHBondContact O-N 3.48Å; I279-I281 PolarHBondContact O-N 3.3Å; I279-H282 PolarHBondContact O-N 3.11Å; I279-M283 HydrophobicContact CG2-CG 4.35Å; I279-M283 HydrophobicContact CG2-SD 3.81Å; I279-M283 WeakPolarHBondContact O-CG 3.15Å; I279-M283 PolarHBondContact O-N 2.74Å; I279-E311 HydrophobicContact CD1-CB 3.99Å; I279-E311 HydrophobicContact CG1-CB 4.31Å; I279-V312 HydrophobicContact CD1-CG2 3.48Å; I279-V312 VanDerWaalsContact CD1-CG2 3.48Å; I279-L315 HydrophobicContact CG2-CD1 4.18Å
280	Q	95.8	Very high	95.1	Very high	99 Å²	99	47.7 Å²	47.7	46%	0.463	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-44.2	178.4	-175.4	175.9	-10.2	0	0	112.3	R276 T277 V278 H282 M283 C284	R276-Q280 WeakPolarHBondContact O-CB 3.44Å; R276-Q280 PolarHBondContact O-N 2.88Å; T277-Q280 PolarHBondContact O-N 2.74Å; V278-Q280 PolarHBondContact O-N 3.47Å; Q280-H282 VanDerWaalsContact C-N 3.34Å; Q280-M283 PolarHBondContact O-N 3.23Å; Q280-C284 WeakPolarHBondContact O-CB 3.42Å; Q280-C284 PolarHBondContact O-N 3.23Å
281	I	96.7	Very high	95.2	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-47.2	175.2	-69.8	162.3	0	0	0	110	T277 V278 I279 M283 E285 I291 F374 I376 F421	T277-I281 HydrophobicContact CG2-CD1 3.84Å; T277-I281 HydrophobicContact CG2-CG1 4.42Å; T277-I281 WeakPolarHBondContact O-CD1 3.32Å; T277-I281 VanDerWaalsContact O-CG1 3.26Å; T277-I281 WeakPolarHBondContact O-CG1 3.41Å; T277-I281 PolarHBondContact O-N 2.97Å; V278-I281 PolarHBondContact O-N 2.94Å; I279-I281 PolarHBondContact O-N 3.3Å; I281-M283 VanDerWaalsContact C-N 3.29Å; I281-M283 PolarHBondContact O-N 3.24Å; I281-E285 HydrophobicContact CG2-CB 4.47Å; I281-E285 HydrophobicContact CG2-CG 4.12Å; I281-E285 WeakPolarHBondContact O-CB 3.2Å; I281-E285 PolarHBondContact O-N 3.45Å; I281-E285 VanDerWaalsContact O-N 3.13Å; I281-I291 HydrophobicContact CB-CD1 4.06Å; I281-I291 HydrophobicContact CG2-CD1 3.64Å; I281-I291 HydrophobicContact CG2-CG1 3.91Å; I281-F374 HydrophobicContact CD1-CB 4.22Å; I281-F374 HydrophobicContact CG2-CB 4.1Å; I281-F374 HydrophobicContact CG2-CD1 3.97Å; I281-F374 HydrophobicContact CG2-CD2 3.74Å; I281-F374 HydrophobicContact CG2-CE1 4.31Å; I281-F374 HydrophobicContact CG2-CE2 4.11Å; I281-F374 HydrophobicContact CG2-CG 3.65Å; I281-F374 HydrophobicContact CG2-CZ 4.35Å; I281-I376 HydrophobicContact CD1-CD1 3.83Å; I281-I376 HydrophobicContact CD1-CG1 3.85Å; I281-F421 HydrophobicContact CD1-CD2 3.53Å; I281-F421 HydrophobicContact CD1-CE2 3.44Å; I281-F421 VanDerWaalsContact CD1-CE2 3.44Å; I281-F421 HydrophobicContact CD1-CG 4.38Å; I281-F421 HydrophobicContact CD1-CZ 4.24Å; I281-F421 HydrophobicContact CG1-CD2 4.23Å; I281-F421 HydrophobicContact CG1-CE2 3.69Å; I281-F421 HydrophobicContact CG1-CZ 4.02Å
282	H	95.5	Very high	95.3	Very high	12 Å²	12	44 Å²	44	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-37.6	-178	-170.2	52.3	0	0	0	112.8	V278 I279 Q280 V319 G320 R354	V278-H282 WeakPolarHBondContact O-CB 3.41Å; V278-H282 PolarHBondContact O-N 3Å; I279-H282 PolarHBondContact O-N 3.11Å; Q280-H282 VanDerWaalsContact C-N 3.34Å; H282-V319 WeakPolarHBondContact NE2-CG1 3.43Å; H282-G320 PolarHBondContact CE1-O 3.14Å; H282-G320 PolarHBondContact NE2-O 3.43Å; H282-R354 VanDerWaalsContact ND1-CD 3.33Å; H282-R354 WeakPolarHBondContact ND1-CD 3.15Å
283	M	92.5	Very high	95.4	Very high	92 Å²	92	40.6 Å²	40.6	45%	0.453	20%	0.2	S	C	.	.	H	α-helix	trans	-86.3	-35.6	-178.1	-67.6	-178.1	72.5	0	0	114.7	I279 Q280 I281 L315	I279-M283 HydrophobicContact CG2-CG 4.35Å; I279-M283 HydrophobicContact CG2-SD 3.81Å; I279-M283 WeakPolarHBondContact O-CG 3.15Å; I279-M283 PolarHBondContact O-N 2.74Å; Q280-M283 PolarHBondContact O-N 3.23Å; I281-M283 VanDerWaalsContact C-N 3.29Å; I281-M283 PolarHBondContact O-N 3.24Å; M283-L315 HydrophobicContact CE-CD2 4.09Å; M283-L315 HydrophobicContact CG-CD1 3.99Å; M283-L315 HydrophobicContact SD-CD1 3.7Å; M283-L315 HydrophobicContact SD-CD2 3.84Å; M283-L315 HydrophobicContact SD-CG 4.43Å
284	C	93.1	Very high	95.5	Very high	81 Å²	81	40.6 Å²	40.6	55%	0.547	20%	0.2	S	C	.	.	H	α-helix	trans	-106	-26.7	-166.1	-63.4	0	0	0	0	114.1	Q280 E286	Q280-C284 WeakPolarHBondContact O-CB 3.42Å; Q280-C284 PolarHBondContact O-N 3.23Å; C284-E286 PolarHBondContact O-N 3.2Å
285	E	94.1	Very high	95.5	Very high	41 Å²	41	40.7 Å²	40.7	19%	0.192	20%	0.201	C	C	.	.			trans	-78.4	122.1	177.9	-68.6	-73.7	163.1	0	0	109.7	I281 R354 F374 K419	I281-E285 HydrophobicContact CG2-CB 4.47Å; I281-E285 HydrophobicContact CG2-CG 4.12Å; I281-E285 WeakPolarHBondContact O-CB 3.2Å; I281-E285 PolarHBondContact O-N 3.45Å; I281-E285 VanDerWaalsContact O-N 3.13Å; E285-R354 PolarHBondContact O-NH2 3.31Å; E285-F374 HydrophobicContact CB-CE1 4.04Å; E285-F374 HydrophobicContact CB-CZ 3.71Å; E285-F374 HydrophobicContact CG-CD1 4.44Å; E285-F374 HydrophobicContact CG-CE1 3.63Å; E285-F374 HydrophobicContact CG-CZ 3.86Å; E285-K419 IonicContact OE1-NZ 3.48Å; E285-K419 PolarHBondContact OE1-NZ 3.46Å; E285-K419 IonicContact OE2-NZ 3.49Å; E285-K419 PolarHBondContact OE2-NZ 2.93Å
286	E	88.4	Confident	95.3	Very high	181 Å²	181	41.1 Å²	41.1	85%	0.846	20%	0.204	S	C	*	.			trans	-80.4	-25.2	-179	-62.9	-179.3	176.1	0	0	112.4	C284	C284-E286 PolarHBondContact O-N 3.2Å
287	I	90.5	Very high	94.9	Very high	85 Å²	85	36.1 Å²	36.1	44%	0.436	19%	0.187	S	C	.	.	S	Bend	trans	-76.1	142.7	-177.6	66.3	178	0	0	0	111.6	R354 V373 F374	I287-R354 VanDerWaalsContact O-CZ 3.26Å; I287-R354 PolarHBondContact O-NH1 3.09Å; I287-R354 PolarHBondContact O-NH2 3.15Å; I287-V373 HydrophobicContact CD1-CG1 4.12Å; I287-F374 HydrophobicContact CD1-CE1 4.19Å; I287-F374 HydrophobicContact CD1-CZ 3.9Å; I287-F374 HydrophobicContact CG1-CE1 4.31Å; I287-F374 HydrophobicContact CG1-CE2 4.5Å; I287-F374 HydrophobicContact CG1-CZ 3.6Å
288	E	91.9	Very high	94.4	Very high	94 Å²	94	39.8 Å²	39.8	44%	0.439	20%	0.203	S	C	.	.			trans	-66.6	141.8	171.1	-70.3	176.3	-151.1	0	0	112	K346 V352	E288-K346 WeakPolarHBondContact OE1-CE 3.5Å; E288-K346 IonicContact OE1-NZ 2.88Å; E288-K346 PolarHBondContact OE1-NZ 2.99Å; E288-V352 HydrophobicContact CB-CG1 4.45Å; E288-V352 HydrophobicContact CG-CG1 3.94Å; E288-V352 HydrophobicContact CG-CG2 4.39Å
289	G	93.6	Very high	93.8	Very high	10 Å²	10	47.7 Å²	47.7	10%	0.103	24%	0.24	C	C	.	.			trans	163.6	142.8	178.8	0	0	0	0	0	112.6	R354 V373	G289-R354 VanDerWaalsContact N-NH1 3.14Å; G289-R354 PolarHBondContact O-NH1 3.34Å; G289-V373 VanDerWaalsContact CA-CG2 3.49Å
290	D	96.6	Very high	93.6	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	158.2	176.6	-64.7	-29.4	0	0	0	111	P343 K355 G371 V372 V373 F374	D290-P343 WeakPolarHBondContact OD1-CB 3.34Å; D290-K355 WeakPolarHBondContact CA-O 3Å; D290-K355 HydrophobicContact CB-CB 4.39Å; D290-K355 WeakPolarHBondContact CB-O 3.35Å; D290-K355 WeakPolarHBondContact OD1-CB 3.4Å; D290-K355 PolarHBondContact OD1-N 3.44Å; D290-K355 WeakPolarHBondContact OD2-CE 3.26Å; D290-K355 IonicContact OD2-NZ 3.92Å; D290-G371 PolarHBondContact N-O 3.38Å; D290-V372 HydrophobicContact CB-CG2 4.35Å; D290-V373 PolarHBondContact O-N 3.49Å; D290-F374 PolarHBondContact O-N 3.41Å; D290-F374 VanDerWaalsContact O-N 3.1Å
291	I	97.8	Very high	93.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133	-177.6	-52.8	173.4	0	0	0	108.9	V278 I281 K355 V356 V357 F374 I376	V278-I291 HydrophobicContact CG1-CD1 4.2Å; V278-I291 HydrophobicContact CG2-CG2 4.44Å; I281-I291 HydrophobicContact CB-CD1 4.06Å; I281-I291 HydrophobicContact CG2-CD1 3.64Å; I281-I291 HydrophobicContact CG2-CG1 3.91Å; I291-K355 PolarHBondContact N-O 3.46Å; I291-V356 HydrophobicContact CB-CB 4.1Å; I291-V356 HydrophobicContact CB-CG2 3.92Å; I291-V356 HydrophobicContact CG2-CG2 3.96Å; I291-V356 CarbonylContact O-C 3.46Å; I291-V356 WeakPolarHBondContact O-CA 3.31Å; I291-V357 PolarHBondContact O-N 3.39Å; I291-F374 CarbonylContact C-O 3.26Å; I291-F374 WeakPolarHBondContact CA-O 3.14Å; I291-F374 HydrophobicContact CG1-CB 4.22Å; I291-F374 HydrophobicContact CG1-CD2 4.23Å; I291-I376 HydrophobicContact CG2-CD1 3.77Å; I291-I376 HydrophobicContact CG2-CG1 4.21Å
292	L	97.7	Very high	93.2	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.6	169	177.2	60.9	0	0	0	109.4	F294 V357 A363 I369 V372 F374 V375 I376 R411	L292-F294 HydrophobicContact CD2-CE2 3.73Å; L292-F294 HydrophobicContact CD2-CZ 3.6Å; L292-F294 HydrophobicContact CG-CD2 4.46Å; L292-F294 HydrophobicContact CG-CE2 3.88Å; L292-F294 HydrophobicContact CG-CZ 4.05Å; L292-V357 WeakPolarHBondContact CA-O 3.1Å; L292-V357 HydrophobicContact CD1-CB 4.02Å; L292-V357 HydrophobicContact CD1-CG1 4.06Å; L292-A363 HydrophobicContact CD1-CB 3.94Å; L292-A363 HydrophobicContact CD2-CB 4.11Å; L292-I369 HydrophobicContact CD1-CD1 4.32Å; L292-V372 HydrophobicContact CB-CG1 3.72Å; L292-V372 HydrophobicContact CB-CG2 4.28Å; L292-F374 PolarHBondContact N-O 2.95Å; L292-V375 HydrophobicContact CB-CG2 4.32Å; L292-V375 CarbonylContact O-C 3.58Å; L292-V375 WeakPolarHBondContact O-CA 3.4Å; L292-I376 PolarHBondContact O-N 3.27Å; L292-R411 HydrophobicContact CD2-CB 3.88Å; L292-R411 HydrophobicContact CD2-CG 3.87Å
293	L	98.3	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.4	177	168.1	58.9	0	0	0	109.7	A274 V278 L295 I308 V357 V358 S359 I376 P378	A274-L293 HydrophobicContact CB-CD1 3.66Å; A274-L293 HydrophobicContact CB-CD2 4.12Å; V278-L293 HydrophobicContact CG2-CD2 4Å; L293-L295 HydrophobicContact CD1-CD2 4.17Å; L293-L295 HydrophobicContact CD1-CG 4.39Å; L293-L295 HydrophobicContact CD2-CD1 4.17Å; L293-L295 HydrophobicContact CD2-CD2 4.42Å; L293-L295 HydrophobicContact CD2-CG 4.23Å; L293-L295 HydrophobicContact CG-CD1 4.49Å; L293-L295 HydrophobicContact CG-CD2 4.32Å; L293-L295 HydrophobicContact CG-CG 4.04Å; L293-I308 HydrophobicContact CD2-CD1 4.42Å; L293-V357 PolarHBondContact N-O 2.86Å; L293-V358 HydrophobicContact CD2-CG1 4.05Å; L293-V358 HydrophobicContact CD2-CG2 4.39Å; L293-V358 HydrophobicContact CG-CG1 4.28Å; L293-S359 PolarHBondContact O-N 2.91Å; L293-I376 HydrophobicContact CB-CB 4.46Å; L293-I376 HydrophobicContact CD1-CB 3.74Å; L293-I376 HydrophobicContact CD1-CG2 3.66Å; L293-P378 HydrophobicContact CD1-CG 4.12Å
294	F	98.2	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.1	173.8	-71.3	-81.3	0	0	0	111.7	L292 S359 T360 A363 E364 V375 I376 P378 R408 R411	L292-F294 HydrophobicContact CD2-CE2 3.73Å; L292-F294 HydrophobicContact CD2-CZ 3.6Å; L292-F294 HydrophobicContact CG-CD2 4.46Å; L292-F294 HydrophobicContact CG-CE2 3.88Å; L292-F294 HydrophobicContact CG-CZ 4.05Å; F294-S359 CarbonylContact C-O 3.53Å; F294-S359 VanDerWaalsContact CA-O 3.3Å; F294-S359 WeakPolarHBondContact CA-O 3.31Å; F294-T360 WeakPolarHBondContact CD1-O 3.29Å; F294-A363 HydrophobicContact CE1-CB 4.01Å; F294-A363 HydrophobicContact CZ-CB 4.3Å; F294-E364 HydrophobicContact CE1-CB 4.13Å; F294-V375 HydrophobicContact CD2-CG1 4.05Å; F294-V375 HydrophobicContact CE2-CG1 3.85Å; F294-I376 PolarHBondContact N-O 3.23Å; F294-I376 VanDerWaalsContact N-O 3.11Å; F294-P378 WeakPolarHBondContact O-CD 3.43Å; F294-P378 WeakPolarHBondContact O-CG 3.42Å; F294-R408 HydrophobicContact CD1-CG 4.31Å; F294-R408 HydrophobicContact CD2-CB 4.02Å; F294-R408 HydrophobicContact CD2-CG 3.8Å; F294-R408 HydrophobicContact CE1-CG 4.14Å; F294-R408 HydrophobicContact CE2-CB 3.65Å; F294-R408 HydrophobicContact CE2-CG 3.61Å; F294-R408 HydrophobicContact CG-CG 4.15Å; F294-R408 HydrophobicContact CZ-CB 4.18Å; F294-R408 HydrophobicContact CZ-CG 3.78Å; F294-R411 HydrophobicContact CZ-CG 4.26Å
295	L	97.9	Very high	93.4	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.202	C	C	.	.			trans	-130	176.1	173.7	-68.1	-177.9	0	0	0	110.4	L271 A274 L293 E300 I301 A304 V358 S359 T360 P378	L271-L295 HydrophobicContact CD1-CD1 4Å; L271-L295 HydrophobicContact CD1-CD2 4.18Å; A274-L295 HydrophobicContact CB-CD2 4.46Å; L293-L295 HydrophobicContact CD1-CD2 4.17Å; L293-L295 HydrophobicContact CD1-CG 4.39Å; L293-L295 HydrophobicContact CD2-CD1 4.17Å; L293-L295 HydrophobicContact CD2-CD2 4.42Å; L293-L295 HydrophobicContact CD2-CG 4.23Å; L293-L295 HydrophobicContact CG-CD1 4.49Å; L293-L295 HydrophobicContact CG-CD2 4.32Å; L293-L295 HydrophobicContact CG-CG 4.04Å; L295-E300 VanDerWaalsContact CB-OE1 3.26Å; L295-E300 WeakPolarHBondContact CB-OE1 3.48Å; L295-E300 HydrophobicContact CD1-CG 4.34Å; L295-E300 VanDerWaalsContact CD2-OE1 3.26Å; L295-E300 WeakPolarHBondContact CD2-OE1 3.46Å; L295-I301 HydrophobicContact CB-CG1 3.77Å; L295-I301 HydrophobicContact CD1-CG1 4.22Å; L295-A304 HydrophobicContact CD1-CB 3.48Å; L295-A304 VanDerWaalsContact CD1-CB 3.48Å; L295-V358 HydrophobicContact CD1-CG1 3.5Å; L295-V358 VanDerWaalsContact CD1-CG1 3.5Å; L295-V358 HydrophobicContact CG-CG1 4.13Å; L295-S359 PolarHBondContact N-O 3.12Å; L295-T360 WeakPolarHBondContact O-CA 3.39Å; L295-P378 HydrophobicContact CD2-CG 4.18Å
296	T	93.7	Very high	93.3	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.055	21%	0.21	C	C	.	.	S	Bend	trans	-92.7	-25.7	-164.9	83.3	0	0	0	0	114.8	Y270 E300 F380 K382 V397	Y270-T296 HydrophobicContact CE2-CG2 4.49Å; T296-E300 WeakPolarHBondContact CB-OE2 3.28Å; T296-E300 PolarHBondContact N-OE1 3.4Å; T296-E300 PolarHBondContact OG1-OE2 2.86Å; T296-F380 HydrophobicContact CG2-CB 3.84Å; T296-K382 WeakPolarHBondContact O-CD 3.39Å; T296-K382 WeakPolarHBondContact O-CG 3.37Å; T296-K382 WeakPolarHBondContact OG1-CE 3.35Å; T296-V397 HydrophobicContact CG2-CG1 3.83Å; T296-V397 HydrophobicContact CG2-CG2 4.33Å
297	G	89.3	Confident	93.7	Very high	7 Å²	7	37 Å²	37	7%	0.072	18%	0.178	C	C	.	.	S	Bend	trans	-172.4	176.7	-177.2	0	0	0	0	0	114.9	E299 E300 I301	G297-E299 PolarHBondContact O-N 3.41Å; G297-E300 PolarHBondContact O-N 3.23Å; G297-I301 WeakPolarHBondContact O-CB 3.24Å; G297-I301 VanDerWaalsContact O-CG1 3.24Å; G297-I301 WeakPolarHBondContact O-CG1 3.39Å; G297-I301 PolarHBondContact O-N 2.89Å
298	Q	87.3	Confident	93.9	Very high	91 Å²	91	33 Å²	33	43%	0.425	16%	0.158	S	C	.	.	H	α-helix	trans	-54.4	-52.4	-171.7	174.7	176.5	-14.5	0	0	114.1	E300 I301 E302 Y328 T330	Q298-E300 VanDerWaalsContact C-N 3.32Å; Q298-E300 PolarHBondContact O-N 3.12Å; Q298-I301 PolarHBondContact O-N 3.38Å; Q298-E302 HydrophobicContact CG-CG 4.34Å; Q298-E302 WeakPolarHBondContact O-CB 3.25Å; Q298-E302 WeakPolarHBondContact O-CG 3.33Å; Q298-E302 PolarHBondContact O-N 3.04Å; Q298-Y328 HydrophobicContact CB-CD1 4.3Å; Q298-Y328 HydrophobicContact CB-CD2 4.1Å; Q298-Y328 HydrophobicContact CB-CE1 4.4Å; Q298-Y328 HydrophobicContact CB-CE2 4.21Å; Q298-Y328 HydrophobicContact CB-CG 4.15Å; Q298-Y328 HydrophobicContact CG-CD1 4.32Å; Q298-Y328 HydrophobicContact CG-CD2 4.13Å; Q298-Y328 HydrophobicContact CG-CE1 3.91Å; Q298-Y328 HydrophobicContact CG-CE2 3.72Å; Q298-Y328 HydrophobicContact CG-CG 4.42Å; Q298-T330 PolarHBondContact OE1-OG1 2.94Å
299	E	84.4	Confident	94	Very high	166 Å²	166	31.9 Å²	31.9	78%	0.776	15%	0.153	S	C	*	.	H	α-helix	trans	-60.1	-42.3	-175.7	-65.7	178.7	174.5	0	0	112.3	G297 E303	G297-E299 PolarHBondContact O-N 3.41Å; E299-E303 WeakPolarHBondContact O-CB 3.33Å; E299-E303 PolarHBondContact O-N 3.08Å
300	E	91.4	Very high	94	Very high	30 Å²	30	39.4 Å²	39.4	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-68	-40.2	178.3	-167.6	-170.6	125.1	0	0	111.7	Y270 L271 L295 T296 G297 Q298 A304	Y270-E300 WeakPolarHBondContact CE2-OE1 3.44Å; Y270-E300 PolarHBondContact OH-OE2 2.89Å; L271-E300 HydrophobicContact CD1-CG 4.11Å; L271-E300 HydrophobicContact CD2-CG 4.34Å; L295-E300 VanDerWaalsContact CB-OE1 3.26Å; L295-E300 WeakPolarHBondContact CB-OE1 3.48Å; L295-E300 HydrophobicContact CD1-CG 4.34Å; L295-E300 VanDerWaalsContact CD2-OE1 3.26Å; L295-E300 WeakPolarHBondContact CD2-OE1 3.46Å; T296-E300 WeakPolarHBondContact CB-OE2 3.28Å; T296-E300 PolarHBondContact N-OE1 3.4Å; T296-E300 PolarHBondContact OG1-OE2 2.86Å; G297-E300 PolarHBondContact O-N 3.23Å; Q298-E300 VanDerWaalsContact C-N 3.32Å; Q298-E300 PolarHBondContact O-N 3.12Å; E300-A304 VanDerWaalsContact O-CB 3.3Å; E300-A304 WeakPolarHBondContact O-CB 3.37Å; E300-A304 PolarHBondContact O-N 2.94Å
301	I	94.6	Very high	93.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-45.5	176.6	-71	168.7	0	0	0	111.4	L295 G297 Q298 A304 C305 P326 Y328 V358 T360	L295-I301 HydrophobicContact CB-CG1 3.77Å; L295-I301 HydrophobicContact CD1-CG1 4.22Å; G297-I301 WeakPolarHBondContact O-CB 3.24Å; G297-I301 VanDerWaalsContact O-CG1 3.24Å; G297-I301 WeakPolarHBondContact O-CG1 3.39Å; G297-I301 PolarHBondContact O-N 2.89Å; Q298-I301 PolarHBondContact O-N 3.38Å; I301-A304 PolarHBondContact O-N 3.26Å; I301-C305 WeakPolarHBondContact O-CB 3.37Å; I301-C305 PolarHBondContact O-N 2.98Å; I301-C305 PolarHBondContact O-SG 2.87Å; I301-P326 HydrophobicContact CG2-CB 3.66Å; I301-Y328 HydrophobicContact CB-CD1 4.35Å; I301-Y328 HydrophobicContact CD1-CD1 4.15Å; I301-Y328 HydrophobicContact CG2-CD1 4.01Å; I301-Y328 HydrophobicContact CG2-CE1 4.33Å; I301-V358 HydrophobicContact CB-CG1 4.3Å; I301-V358 HydrophobicContact CG1-CG1 4.12Å; I301-V358 HydrophobicContact CG2-CB 4.15Å; I301-V358 HydrophobicContact CG2-CG1 3.92Å; I301-V358 WeakPolarHBondContact CG2-O 3.28Å; I301-T360 HydrophobicContact CD1-CG2 3.49Å; I301-T360 VanDerWaalsContact CD1-CG2 3.49Å
302	E	90.9	Very high	93.5	Very high	61 Å²	61	43.2 Å²	43.2	29%	0.285	20%	0.196	S	C	.	.	H	α-helix	trans	-65.3	-40.1	179.3	-73.2	-67.7	164.5	0	0	111.4	Q298 K306 Y328	Q298-E302 HydrophobicContact CG-CG 4.34Å; Q298-E302 WeakPolarHBondContact O-CB 3.25Å; Q298-E302 WeakPolarHBondContact O-CG 3.33Å; Q298-E302 PolarHBondContact O-N 3.04Å; E302-K306 WeakPolarHBondContact O-CG 3.1Å; E302-K306 PolarHBondContact O-N 3.16Å; E302-K306 VanDerWaalsContact O-N 3.12Å; E302-Y328 HydrophobicContact CG-CE1 4.31Å; E302-Y328 PolarHBondContact OE1-OH 3.5Å
303	E	91.8	Very high	93.1	Very high	72 Å²	72	48.4 Å²	48.4	34%	0.336	22%	0.224	S	C	.	.	H	α-helix	trans	-65.1	-46.5	174	-176.6	57.5	-156.6	0	0	111.5	E299 C305 K306 R307	E299-E303 WeakPolarHBondContact O-CB 3.33Å; E299-E303 PolarHBondContact O-N 3.08Å; E303-C305 VanDerWaalsContact C-N 3.34Å; E303-C305 PolarHBondContact O-N 3.14Å; E303-K306 PolarHBondContact O-N 3.44Å; E303-R307 HydrophobicContact CG-CG 4.37Å; E303-R307 WeakPolarHBondContact O-CB 3.38Å; E303-R307 WeakPolarHBondContact O-CG 3.46Å; E303-R307 PolarHBondContact O-N 3.29Å; E303-R307 WeakPolarHBondContact OE1-CD 3.32Å; E303-R307 VanDerWaalsContact OE1-CG 3.32Å; E303-R307 WeakPolarHBondContact OE1-CG 3.21Å
304	A	96.5	Very high	92.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-46.8	175.9	0	0	0	0	0	111.7	L271 L295 E300 I301 K306 R307 I308 V358	L271-A304 HydrophobicContact CD1-CB 3.88Å; L295-A304 HydrophobicContact CD1-CB 3.48Å; L295-A304 VanDerWaalsContact CD1-CB 3.48Å; E300-A304 VanDerWaalsContact O-CB 3.3Å; E300-A304 WeakPolarHBondContact O-CB 3.37Å; E300-A304 PolarHBondContact O-N 2.94Å; I301-A304 PolarHBondContact O-N 3.26Å; A304-K306 VanDerWaalsContact C-N 3.34Å; A304-K306 PolarHBondContact O-N 3.2Å; A304-R307 PolarHBondContact O-N 2.95Å; A304-I308 HydrophobicContact CB-CD1 4.49Å; A304-I308 WeakPolarHBondContact O-CB 3.48Å; A304-I308 WeakPolarHBondContact O-CD1 3.37Å; A304-I308 WeakPolarHBondContact O-CG1 3.35Å; A304-I308 PolarHBondContact O-N 3.2Å; A304-V358 HydrophobicContact CB-CG1 4.2Å
305	C	95.5	Very high	92.3	Very high	13 Å²	13	54.5 Å²	54.5	9%	0.088	27%	0.272	C	S	.	.	H	α-helix	trans	-57.4	-46.5	178	-70.1	0	0	0	0	111.8	I301 E303 Q309 C324	I301-C305 WeakPolarHBondContact O-CB 3.37Å; I301-C305 PolarHBondContact O-N 2.98Å; I301-C305 PolarHBondContact O-SG 2.87Å; E303-C305 VanDerWaalsContact C-N 3.34Å; E303-C305 PolarHBondContact O-N 3.14Å; C305-Q309 WeakPolarHBondContact O-CB 3.49Å; C305-Q309 PolarHBondContact O-N 2.85Å; C305-C324 PolarHBondContact SG-SG 3.3Å
306	K	93.2	Very high	91.6	Very high	80 Å²	80	56.1 Å²	56.1	35%	0.348	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-43.5	178.7	-72.9	174.9	-175.7	-179.2	0	112	E302 E303 A304 R310	E302-K306 WeakPolarHBondContact O-CG 3.1Å; E302-K306 PolarHBondContact O-N 3.16Å; E302-K306 VanDerWaalsContact O-N 3.12Å; E303-K306 PolarHBondContact O-N 3.44Å; A304-K306 VanDerWaalsContact C-N 3.34Å; A304-K306 PolarHBondContact O-N 3.2Å; K306-R310 VanDerWaalsContact O-CG 3.32Å; K306-R310 WeakPolarHBondContact O-CG 3.45Å; K306-R310 PolarHBondContact O-N 2.86Å; K306-R310 VanDerWaalsContact O-N 3.09Å
307	R	95.6	Very high	91.1	Very high	50 Å²	50	60.5 Å²	60.5	19%	0.189	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-47	-179.8	-71.3	-174.4	59.2	-170.1	-8.7	112	E272 I275 E303 A304 Q309 R310 E311	E272-R307 IonicContact OE1-NH2 3.75Å; E272-R307 PolarHBondContact OE1-NH2 2.91Å; E272-R307 IonicContact OE2-CZ 3.98Å; E272-R307 IonicContact OE2-NH1 2.88Å; E272-R307 PolarHBondContact OE2-NH1 3.06Å; E272-R307 IonicContact OE2-NH2 3.88Å; E272-R307 PolarHBondContact OE2-NH2 2.79Å; I275-R307 HydrophobicContact CD1-CB 3.81Å; I275-R307 HydrophobicContact CD1-CG 4.41Å; I275-R307 VanDerWaalsContact CD1-CZ 3.49Å; E303-R307 HydrophobicContact CG-CG 4.37Å; E303-R307 WeakPolarHBondContact O-CB 3.38Å; E303-R307 WeakPolarHBondContact O-CG 3.46Å; E303-R307 PolarHBondContact O-N 3.29Å; E303-R307 WeakPolarHBondContact OE1-CD 3.32Å; E303-R307 VanDerWaalsContact OE1-CG 3.32Å; E303-R307 WeakPolarHBondContact OE1-CG 3.21Å; A304-R307 PolarHBondContact O-N 2.95Å; R307-Q309 VanDerWaalsContact C-N 3.32Å; R307-Q309 PolarHBondContact O-N 3.1Å; R307-R310 PolarHBondContact O-N 2.82Å; R307-E311 IonicContact NH2-OE1 3.85Å; R307-E311 WeakPolarHBondContact O-CG 3.39Å; R307-E311 PolarHBondContact O-N 2.87Å
308	I	96.5	Very high	90.9	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-56.9	-47.5	175.4	-69.5	163.7	0	0	0	110.2	I275 V278 L293 A304 R310 E311 V312 L322 V356 V358	I275-I308 HydrophobicContact CB-CG1 4.41Å; I275-I308 HydrophobicContact CG1-CD1 4.47Å; I275-I308 HydrophobicContact CG1-CG1 4.08Å; I275-I308 HydrophobicContact CG2-CG1 3.98Å; V278-I308 HydrophobicContact CB-CD1 4.43Å; V278-I308 HydrophobicContact CG1-CD1 4.26Å; V278-I308 HydrophobicContact CG1-CG1 4.43Å; V278-I308 HydrophobicContact CG1-CG2 4.05Å; V278-I308 HydrophobicContact CG2-CD1 4.15Å; L293-I308 HydrophobicContact CD2-CD1 4.42Å; A304-I308 HydrophobicContact CB-CD1 4.49Å; A304-I308 WeakPolarHBondContact O-CB 3.48Å; A304-I308 WeakPolarHBondContact O-CD1 3.37Å; A304-I308 WeakPolarHBondContact O-CG1 3.35Å; A304-I308 PolarHBondContact O-N 3.2Å; I308-R310 PolarHBondContact O-N 2.81Å; I308-E311 PolarHBondContact O-N 2.8Å; I308-V312 HydrophobicContact CG2-CG2 4.4Å; I308-V312 WeakPolarHBondContact O-CG2 3.19Å; I308-V312 PolarHBondContact O-N 2.9Å; I308-L322 HydrophobicContact CG2-CD2 3.64Å; I308-V356 HydrophobicContact CG2-CG1 4.42Å; I308-V358 HydrophobicContact CD1-CG2 4.2Å
309	Q	93.6	Very high	91	Very high	70 Å²	70	62.9 Å²	62.9	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-47.1	179.8	-170.4	64.8	55.2	0	0	111.7	C305 R307 E311 V312 D313	C305-Q309 WeakPolarHBondContact O-CB 3.49Å; C305-Q309 PolarHBondContact O-N 2.85Å; R307-Q309 VanDerWaalsContact C-N 3.32Å; R307-Q309 PolarHBondContact O-N 3.1Å; Q309-E311 PolarHBondContact O-N 2.82Å; Q309-V312 PolarHBondContact O-N 2.76Å; Q309-D313 PolarHBondContact NE2-OD1 3.39Å; Q309-D313 WeakPolarHBondContact O-CB 3.36Å; Q309-D313 PolarHBondContact O-N 3.37Å
310	R	92.8	Very high	91.3	Very high	167 Å²	167	55.2 Å²	55.2	63%	0.63	30%	0.298	S	S	*	.	H	α-helix	trans	-60.7	-42.4	177.8	-72.7	175.7	-169.3	157.6	3.6	112.6	K306 R307 I308 G314	K306-R310 VanDerWaalsContact O-CG 3.32Å; K306-R310 WeakPolarHBondContact O-CG 3.45Å; K306-R310 PolarHBondContact O-N 2.86Å; K306-R310 VanDerWaalsContact O-N 3.09Å; R307-R310 PolarHBondContact O-N 2.82Å; I308-R310 PolarHBondContact O-N 2.81Å; R310-G314 PolarHBondContact O-N 3.11Å
311	E	93.3	Very high	91.4	Very high	72 Å²	72	58 Å²	58	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-42.8	179.2	-74.4	-178.2	-147.9	0	0	111.3	I279 R307 I308 Q309 G314 L315	I279-E311 HydrophobicContact CD1-CB 3.99Å; I279-E311 HydrophobicContact CG1-CB 4.31Å; R307-E311 IonicContact NH2-OE1 3.85Å; R307-E311 WeakPolarHBondContact O-CG 3.39Å; R307-E311 PolarHBondContact O-N 2.87Å; I308-E311 PolarHBondContact O-N 2.8Å; Q309-E311 PolarHBondContact O-N 2.82Å; E311-G314 PolarHBondContact O-N 3.21Å; E311-L315 WeakPolarHBondContact O-CG 3.37Å
312	V	92	Very high	91.4	Very high	13 Å²	13	58.2 Å²	58.2	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-43	177.1	173.4	0	0	0	0	112.2	I279 I308 Q309 G314 L315 L322	I279-V312 HydrophobicContact CD1-CG2 3.48Å; I279-V312 VanDerWaalsContact CD1-CG2 3.48Å; I308-V312 HydrophobicContact CG2-CG2 4.4Å; I308-V312 WeakPolarHBondContact O-CG2 3.19Å; I308-V312 PolarHBondContact O-N 2.9Å; Q309-V312 PolarHBondContact O-N 2.76Å; V312-G314 PolarHBondContact O-N 3.43Å; V312-L315 WeakPolarHBondContact O-CB 3.48Å; V312-L315 PolarHBondContact O-N 2.95Å; V312-L322 HydrophobicContact CG1-CB 4.04Å; V312-L322 HydrophobicContact CG2-CB 4.19Å; V312-L322 HydrophobicContact CG2-CD2 3.68Å
313	D	89.4	Confident	91.6	Very high	112 Å²	112	58.6 Å²	58.6	60%	0.599	31%	0.311	S	S	*	.	H	α-helix	trans	-61.2	-28	177.5	-67.6	-17.1	0	0	0	111.4	Q309	Q309-D313 PolarHBondContact NE2-OD1 3.39Å; Q309-D313 WeakPolarHBondContact O-CB 3.36Å; Q309-D313 PolarHBondContact O-N 3.37Å
314	G	90	Very high	91.8	Very high	67 Å²	67	56.2 Å²	56.2	69%	0.691	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.4	175.8	0	0	0	0	0	115.8	R310 E311 V312	R310-G314 PolarHBondContact O-N 3.11Å; E311-G314 PolarHBondContact O-N 3.21Å; V312-G314 PolarHBondContact O-N 3.43Å
315	L	88.3	Confident	91.7	Very high	62 Å²	62	56.2 Å²	56.2	33%	0.325	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.5	-176.5	-65	171.9	0	0	0	114.4	I279 M283 E311 V312 V319	I279-L315 HydrophobicContact CG2-CD1 4.18Å; M283-L315 HydrophobicContact CE-CD2 4.09Å; M283-L315 HydrophobicContact CG-CD1 3.99Å; M283-L315 HydrophobicContact SD-CD1 3.7Å; M283-L315 HydrophobicContact SD-CD2 3.84Å; M283-L315 HydrophobicContact SD-CG 4.43Å; E311-L315 WeakPolarHBondContact O-CG 3.37Å; V312-L315 WeakPolarHBondContact O-CB 3.48Å; V312-L315 PolarHBondContact O-N 2.95Å; L315-V319 HydrophobicContact CB-CB 4.2Å; L315-V319 HydrophobicContact CB-CG2 3.73Å; L315-V319 HydrophobicContact CD1-CG1 4.18Å; L315-V319 HydrophobicContact CD1-CG2 4.23Å
316	G	83.5	Confident	91.7	Very high	36 Å²	36	56.8 Å²	56.8	37%	0.371	31%	0.305	S	S	.	.			trans	84.2	-174.9	177.2	0	0	0	0	0	115.1	D318	G316-D318 VanDerWaalsContact C-N 3.29Å; G316-D318 PolarHBondContact O-N 2.99Å
317	P	83.6	Confident	91.6	Very high	100 Å²	100	53 Å²	53	65%	0.649	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.5	-169.9	30.1	-35.7	0	0	0	114.3	V319 R347	P317-V319 VanDerWaalsContact C-N 3.31Å; P317-V319 PolarHBondContact O-N 3.46Å; P317-R347 VanDerWaalsContact C-NH1 3.29Å; P317-R347 VanDerWaalsContact CA-NH1 3.34Å; P317-R347 PolarHBondContact O-NH1 3.44Å
318	D	84.5	Confident	91.2	Very high	126 Å²	126	51.6 Å²	51.6	67%	0.674	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.9	-175.8	-67.9	-37.6	0	0	0	113.5	G316 N349 A351	G316-D318 VanDerWaalsContact C-N 3.29Å; G316-D318 PolarHBondContact O-N 2.99Å; D318-N349 WeakPolarHBondContact CA-ND2 3.44Å; D318-N349 PolarHBondContact O-ND2 2.91Å; D318-A351 WeakPolarHBondContact O-CB 3.2Å
319	V	90	Very high	90.4	Very high	23 Å²	23	56 Å²	56	14%	0.139	32%	0.315	C	S	.	.	S	Bend	trans	-87.7	143	179.3	-178.9	0	0	0	0	110.6	H282 L315 P317 R347	H282-V319 WeakPolarHBondContact NE2-CG1 3.43Å; L315-V319 HydrophobicContact CB-CB 4.2Å; L315-V319 HydrophobicContact CB-CG2 3.73Å; L315-V319 HydrophobicContact CD1-CG1 4.18Å; L315-V319 HydrophobicContact CD1-CG2 4.23Å; P317-V319 VanDerWaalsContact C-N 3.31Å; P317-V319 PolarHBondContact O-N 3.46Å; V319-R347 WeakPolarHBondContact O-CD 3.41Å; V319-R347 PolarHBondContact O-NE 3.03Å; V319-R347 PolarHBondContact O-NH1 2.47Å
320	G	90.7	Very high	89.5	Confident	4 Å²	4	55.4 Å²	55.4	4%	0.041	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-63.3	157.6	177.9	0	0	0	0	0	112.1	H282 L322 V352	H282-G320 PolarHBondContact CE1-O 3.14Å; H282-G320 PolarHBondContact NE2-O 3.43Å; G320-L322 PolarHBondContact O-N 3.03Å; G320-V352 WeakPolarHBondContact CA-O 3.41Å
321	E	92.7	Very high	88.8	Confident	89 Å²	89	47.9 Å²	47.9	42%	0.416	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.9	132.5	175.2	-172.9	-176.1	145.8	0	0	110.3	P344 G353 R354	E321-P344 HydrophobicContact CB-CB 3.86Å; E321-P344 HydrophobicContact CB-CG 4.23Å; E321-P344 HydrophobicContact CG-CB 4.01Å; E321-P344 HydrophobicContact CG-CG 3.99Å; E321-G353 WeakPolarHBondContact O-CA 3.05Å; E321-R354 PolarHBondContact O-N 2.93Å
322	L	94.8	Very high	87.8	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.6	172.8	-172.6	67.7	0	0	0	109.4	V278 I308 V312 G320 R354 V356	V278-L322 HydrophobicContact CG1-CD2 4.06Å; I308-L322 HydrophobicContact CG2-CD2 3.64Å; V312-L322 HydrophobicContact CG1-CB 4.04Å; V312-L322 HydrophobicContact CG2-CB 4.19Å; V312-L322 HydrophobicContact CG2-CD2 3.68Å; G320-L322 PolarHBondContact O-N 3.03Å; L322-R354 WeakPolarHBondContact CA-O 3.45Å; L322-R354 HydrophobicContact CD1-CB 3.7Å; L322-V356 HydrophobicContact CD1-CB 4.13Å; L322-V356 HydrophobicContact CD1-CG1 4.02Å; L322-V356 HydrophobicContact CD2-CG1 3.82Å; L322-V356 HydrophobicContact CG-CB 4.48Å; L322-V356 HydrophobicContact CG-CG1 3.84Å
323	R	95	Very high	86.9	Confident	69 Å²	69	48 Å²	48	26%	0.26	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	113.6	173.1	-174.9	179.7	-62.3	163.2	14.5	110.2	I325 E341 S342 P344 R354 K355 V356	R323-I325 HydrophobicContact CG-CD1 4.31Å; R323-I325 HydrophobicContact CG-CG1 4.06Å; R323-E341 IonicContact CZ-OE2 3.77Å; R323-E341 IonicContact NH1-OE2 2.82Å; R323-E341 PolarHBondContact NH1-OE2 3Å; R323-S342 PolarHBondContact NH1-O 3.39Å; R323-P344 HydrophobicContact CB-CG 3.77Å; R323-R354 PolarHBondContact N-O 3.13Å; R323-K355 CarbonylContact O-C 3.47Å; R323-K355 WeakPolarHBondContact O-CA 3.35Å; R323-V356 PolarHBondContact O-N 3.45Å
324	C	95.6	Very high	86.2	Confident	21 Å²	21	47 Å²	47	14%	0.142	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.8	176.3	-160.3	0	0	0	0	111.7	C305 V356	C305-C324 PolarHBondContact SG-SG 3.3Å; C324-V356 HydrophobicContact CB-CG1 3.9Å
325	I	95.7	Very high	85.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	114.8	-178.3	-52.2	-172.4	0	0	0	110	R323 R338 I339 K355 V356 V357 V358	R323-I325 HydrophobicContact CG-CD1 4.31Å; R323-I325 HydrophobicContact CG-CG1 4.06Å; I325-R338 HydrophobicContact CD1-CB 4.4Å; I325-R338 VanDerWaalsContact CD1-O 3.26Å; I325-R338 WeakPolarHBondContact CD1-O 3.24Å; I325-R338 HydrophobicContact CG2-CB 4.08Å; I325-I339 HydrophobicContact CG2-CG2 3.93Å; I325-K355 HydrophobicContact CD1-CD 3.58Å; I325-K355 HydrophobicContact CD1-CG 3.87Å; I325-K355 HydrophobicContact CG1-CD 4.45Å; I325-K355 HydrophobicContact CG1-CG 4.23Å; I325-V356 PolarHBondContact N-O 3.1Å; I325-V357 WeakPolarHBondContact O-CA 3.3Å; I325-V358 PolarHBondContact O-N 2.53Å
326	P	94.8	Very high	85.6	Confident	24 Å²	24	44.1 Å²	44.1	16%	0.156	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146	176	29.9	-33.2	0	0	0	111.9	I301 Y328 L331 V358	I301-P326 HydrophobicContact CG2-CB 3.66Å; P326-Y328 HydrophobicContact CB-CD1 4.41Å; P326-Y328 HydrophobicContact CB-CE1 4.01Å; P326-L331 HydrophobicContact CB-CD1 4.18Å; P326-L331 HydrophobicContact CG-CD1 3.96Å; P326-L331 WeakPolarHBondContact O-CD1 3.5Å; P326-V358 CarbonylContact C-O 3.49Å; P326-V358 WeakPolarHBondContact CA-O 3.5Å
327	L	92.1	Very high	85.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	113.8	175.1	-175.7	66.4	0	0	0	112	Q336 I339 V357 V358 S359 T360 I362 A363 L367	L327-Q336 HydrophobicContact CD1-CB 3.98Å; L327-Q336 HydrophobicContact CD1-CG 3.93Å; L327-I339 HydrophobicContact CB-CG2 4.25Å; L327-I339 HydrophobicContact CD1-CD1 4.26Å; L327-I339 HydrophobicContact CD1-CG2 4.1Å; L327-I339 HydrophobicContact CD2-CD1 3.85Å; L327-I339 HydrophobicContact CD2-CG2 4.18Å; L327-I339 HydrophobicContact CG-CG2 4.39Å; L327-V357 HydrophobicContact CB-CG1 4.09Å; L327-V357 HydrophobicContact CD2-CG1 4.39Å; L327-V358 PolarHBondContact N-O 3.27Å; L327-S359 WeakPolarHBondContact CD2-OG 3.44Å; L327-S359 CarbonylContact O-C 3.5Å; L327-S359 VanDerWaalsContact O-CA 3.24Å; L327-S359 WeakPolarHBondContact O-CA 3.4Å; L327-T360 PolarHBondContact O-N 2.98Å; L327-I362 HydrophobicContact CD1-CG2 4.49Å; L327-I362 HydrophobicContact CD2-CG2 3.73Å; L327-I362 HydrophobicContact CG-CG2 3.6Å; L327-A363 HydrophobicContact CD2-CB 4.2Å; L327-L367 HydrophobicContact CD2-CD1 4.48Å
328	Y	87.4	Confident	85.7	Confident	21 Å²	21	47.7 Å²	47.7	8%	0.082	25%	0.253	C	S	.	.			trans	-152.5	164.4	175.9	49.5	-101.7	0	0	0	110.6	Q298 I301 E302 P326 T330 L331	Q298-Y328 HydrophobicContact CB-CD1 4.3Å; Q298-Y328 HydrophobicContact CB-CD2 4.1Å; Q298-Y328 HydrophobicContact CB-CE1 4.4Å; Q298-Y328 HydrophobicContact CB-CE2 4.21Å; Q298-Y328 HydrophobicContact CB-CG 4.15Å; Q298-Y328 HydrophobicContact CG-CD1 4.32Å; Q298-Y328 HydrophobicContact CG-CD2 4.13Å; Q298-Y328 HydrophobicContact CG-CE1 3.91Å; Q298-Y328 HydrophobicContact CG-CE2 3.72Å; Q298-Y328 HydrophobicContact CG-CG 4.42Å; I301-Y328 HydrophobicContact CB-CD1 4.35Å; I301-Y328 HydrophobicContact CD1-CD1 4.15Å; I301-Y328 HydrophobicContact CG2-CD1 4.01Å; I301-Y328 HydrophobicContact CG2-CE1 4.33Å; E302-Y328 HydrophobicContact CG-CE1 4.31Å; E302-Y328 PolarHBondContact OE1-OH 3.5Å; P326-Y328 HydrophobicContact CB-CD1 4.41Å; P326-Y328 HydrophobicContact CB-CE1 4.01Å; Y328-T330 VanDerWaalsContact C-N 3.34Å; Y328-T330 WeakPolarHBondContact CD2-OG1 3.38Å; Y328-T330 WeakPolarHBondContact CE2-OG1 3.48Å; Y328-T330 PolarHBondContact O-N 3.4Å; Y328-L331 HydrophobicContact CD1-CD1 4.22Å; Y328-L331 HydrophobicContact CD2-CB 3.77Å; Y328-L331 HydrophobicContact CE1-CD1 3.71Å; Y328-L331 HydrophobicContact CE2-CB 3.69Å; Y328-L331 HydrophobicContact CE2-CD1 4.05Å; Y328-L331 HydrophobicContact CE2-CG 4.34Å; Y328-L331 HydrophobicContact CG-CB 4.31Å; Y328-L331 WeakPolarHBondContact O-CB 3.49Å; Y328-L331 PolarHBondContact O-N 3.49Å
329	S	79.1	Confident	85.9	Confident	94 Å²	94	41.8 Å²	41.8	66%	0.657	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.9	-167.8	55.4	0	0	0	0	115.1	L331	S329-L331 VanDerWaalsContact C-N 3.27Å
330	T	74.1	Confident	85.7	Confident	57 Å²	57	45.5 Å²	45.5	35%	0.35	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.9	176.9	54.9	0	0	0	0	113	Q298 Y328 P536	Q298-T330 PolarHBondContact OE1-OG1 2.94Å; Y328-T330 VanDerWaalsContact C-N 3.34Å; Y328-T330 WeakPolarHBondContact CD2-OG1 3.38Å; Y328-T330 WeakPolarHBondContact CE2-OG1 3.48Å; Y328-T330 PolarHBondContact O-N 3.4Å; T330-P536 HydrophobicContact CG2-CB 4.02Å; T330-P536 HydrophobicContact CG2-CG 3.69Å
331	L	78.6	Confident	85.7	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.047	25%	0.248	C	C	.	.	S	Bend	trans	-70.6	135.3	177.8	-160.8	129.5	0	0	0	109.2	P326 Y328 S329 L335 Q336	P326-L331 HydrophobicContact CB-CD1 4.18Å; P326-L331 HydrophobicContact CG-CD1 3.96Å; P326-L331 WeakPolarHBondContact O-CD1 3.5Å; Y328-L331 HydrophobicContact CD1-CD1 4.22Å; Y328-L331 HydrophobicContact CD2-CB 3.77Å; Y328-L331 HydrophobicContact CE1-CD1 3.71Å; Y328-L331 HydrophobicContact CE2-CB 3.69Å; Y328-L331 HydrophobicContact CE2-CD1 4.05Å; Y328-L331 HydrophobicContact CE2-CG 4.34Å; Y328-L331 HydrophobicContact CG-CB 4.31Å; Y328-L331 WeakPolarHBondContact O-CB 3.49Å; Y328-L331 PolarHBondContact O-N 3.49Å; S329-L331 VanDerWaalsContact C-N 3.27Å; L331-L335 HydrophobicContact CD2-CB 3.28Å; L331-L335 HydrophobicContact CG-CB 3.98Å; L331-Q336 HydrophobicContact CB-CG 4.03Å; L331-Q336 HydrophobicContact CD2-CB 4.1Å; L331-Q336 HydrophobicContact CD2-CG 3.46Å; L331-Q336 VanDerWaalsContact CD2-CG 3.46Å; L331-Q336 HydrophobicContact CG-CG 4.39Å; L331-Q336 VanDerWaalsContact O-CD 3.28Å; L331-Q336 WeakPolarHBondContact O-CG 3.3Å; L331-Q336 PolarHBondContact O-NE2 3.33Å
332	P	71.5	Confident	85.6	Confident	25 Å²	25	48.6 Å²	48.6	16%	0.162	26%	0.26	C	S	.	.			trans	-74.7	151.5	-171.6	-33.2	49.7	0	0	0	113.3	N334 L335 Q336	P332-N334 VanDerWaalsContact C-N 3.29Å; P332-N334 PolarHBondContact O-N 3.12Å; P332-N334 VanDerWaalsContact O-N 3.12Å; P332-L335 WeakPolarHBondContact O-CA 3.38Å; P332-L335 PolarHBondContact O-N 3.36Å; P332-Q336 PolarHBondContact O-N 3.34Å
333	P	72.7	Confident	85.5	Confident	64 Å²	64	51 Å²	51	42%	0.416	28%	0.275	S	S	.	.	H	α-helix	trans	-54.1	-40.6	-167.5	-29.3	35.3	0	0	0	114.4	M138 L335 Q336 Q337	M138-P333 HydrophobicContact CE-CB 4.5Å; M138-P333 HydrophobicContact CE-CG 4.29Å; P333-L335 VanDerWaalsContact C-N 3.32Å; P333-L335 PolarHBondContact O-N 3.33Å; P333-Q336 PolarHBondContact O-N 2.87Å; P333-Q337 WeakPolarHBondContact O-CG 3.34Å; P333-Q337 PolarHBondContact O-N 2.99Å
334	N	76.6	Confident	85.5	Confident	91 Å²	91	47.9 Å²	47.9	49%	0.487	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-34	177.6	70.2	-45	0	0	0	113.2	P332 R591	P332-N334 VanDerWaalsContact C-N 3.29Å; P332-N334 PolarHBondContact O-N 3.12Å; P332-N334 VanDerWaalsContact O-N 3.12Å; N334-R591 PolarHBondContact OD1-NH2 2.89Å
335	L	81.1	Confident	85.3	Confident	57 Å²	57	51.9 Å²	51.9	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-77.2	-32.4	174.2	-66.2	-175.8	0	0	0	111.4	L331 P332 P333 Q337 R338	L331-L335 HydrophobicContact CD2-CB 3.28Å; L331-L335 HydrophobicContact CG-CB 3.98Å; P332-L335 WeakPolarHBondContact O-CA 3.38Å; P332-L335 PolarHBondContact O-N 3.36Å; P333-L335 VanDerWaalsContact C-N 3.32Å; P333-L335 PolarHBondContact O-N 3.33Å; L335-Q337 VanDerWaalsContact C-N 3.28Å; L335-Q337 PolarHBondContact O-N 2.92Å; L335-R338 VanDerWaalsContact O-CB 3.25Å; L335-R338 WeakPolarHBondContact O-CB 3.3Å; L335-R338 WeakPolarHBondContact O-CG 3.49Å; L335-R338 PolarHBondContact O-N 3.48Å
336	Q	82.8	Confident	85	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-35.9	175.9	-66	179.8	-6.2	0	0	110.6	L327 L331 P332 P333 R338 I339	L327-Q336 HydrophobicContact CD1-CB 3.98Å; L327-Q336 HydrophobicContact CD1-CG 3.93Å; L331-Q336 HydrophobicContact CB-CG 4.03Å; L331-Q336 HydrophobicContact CD2-CB 4.1Å; L331-Q336 HydrophobicContact CD2-CG 3.46Å; L331-Q336 VanDerWaalsContact CD2-CG 3.46Å; L331-Q336 HydrophobicContact CG-CG 4.39Å; L331-Q336 VanDerWaalsContact O-CD 3.28Å; L331-Q336 WeakPolarHBondContact O-CG 3.3Å; L331-Q336 PolarHBondContact O-NE2 3.33Å; P332-Q336 PolarHBondContact O-N 3.34Å; P333-Q336 PolarHBondContact O-N 2.87Å; Q336-R338 PolarHBondContact O-N 3.03Å; Q336-I339 WeakPolarHBondContact O-CD1 3.38Å; Q336-I339 WeakPolarHBondContact O-CG1 3.2Å; Q336-I339 WeakPolarHBondContact O-CG2 3.28Å; Q336-I339 PolarHBondContact O-N 2.86Å
337	Q	81.5	Confident	84.7	Confident	124 Å²	124	60.4 Å²	60.4	58%	0.579	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.6	-20.6	175.4	-75.7	174.3	-6.6	0	0	113.5	P333 L335 I339 F340	P333-Q337 WeakPolarHBondContact O-CG 3.34Å; P333-Q337 PolarHBondContact O-N 2.99Å; L335-Q337 VanDerWaalsContact C-N 3.28Å; L335-Q337 PolarHBondContact O-N 2.92Å; Q337-I339 PolarHBondContact O-N 2.88Å; Q337-I339 VanDerWaalsContact O-N 3.11Å; Q337-F340 WeakPolarHBondContact O-CB 3.24Å; Q337-F340 WeakPolarHBondContact O-CD2 3.5Å; Q337-F340 PolarHBondContact O-N 2.97Å
338	R	87.7	Confident	84.5	Confident	88 Å²	88	66.1 Å²	66.1	33%	0.332	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.5	177.5	-62	-173.5	60.9	-152.2	-7.2	113.2	I325 L335 Q336 F340 E341	I325-R338 HydrophobicContact CD1-CB 4.4Å; I325-R338 VanDerWaalsContact CD1-O 3.26Å; I325-R338 WeakPolarHBondContact CD1-O 3.24Å; I325-R338 HydrophobicContact CG2-CB 4.08Å; L335-R338 VanDerWaalsContact O-CB 3.25Å; L335-R338 WeakPolarHBondContact O-CB 3.3Å; L335-R338 WeakPolarHBondContact O-CG 3.49Å; L335-R338 PolarHBondContact O-N 3.48Å; Q336-R338 PolarHBondContact O-N 3.03Å; R338-F340 PolarHBondContact O-N 3.32Å; R338-F340 VanDerWaalsContact O-N 3.13Å; R338-E341 HydrophobicContact CB-CG 4.45Å; R338-E341 WeakPolarHBondContact CB-OE1 3.09Å; R338-E341 WeakPolarHBondContact CG-OE1 3.35Å; R338-E341 IonicContact NE-OE1 2.79Å; R338-E341 PolarHBondContact NE-OE1 3.27Å; R338-E341 VanDerWaalsContact NE-OE1 3.08Å; R338-E341 VanDerWaalsContact O-CB 3.27Å; R338-E341 WeakPolarHBondContact O-CB 3.42Å; R338-E341 WeakPolarHBondContact O-CG 3.41Å; R338-E341 PolarHBondContact O-N 2.83Å
339	I	89.3	Confident	84.5	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-60.9	-22	175	72.9	-170.5	0	0	0	112.4	I325 L327 Q336 Q337 K355 V357 L367 I369	I325-I339 HydrophobicContact CG2-CG2 3.93Å; L327-I339 HydrophobicContact CB-CG2 4.25Å; L327-I339 HydrophobicContact CD1-CD1 4.26Å; L327-I339 HydrophobicContact CD1-CG2 4.1Å; L327-I339 HydrophobicContact CD2-CD1 3.85Å; L327-I339 HydrophobicContact CD2-CG2 4.18Å; L327-I339 HydrophobicContact CG-CG2 4.39Å; Q336-I339 WeakPolarHBondContact O-CD1 3.38Å; Q336-I339 WeakPolarHBondContact O-CG1 3.2Å; Q336-I339 WeakPolarHBondContact O-CG2 3.28Å; Q336-I339 PolarHBondContact O-N 2.86Å; Q337-I339 PolarHBondContact O-N 2.88Å; Q337-I339 VanDerWaalsContact O-N 3.11Å; I339-K355 PolarHBondContact O-NZ 2.88Å; I339-V357 HydrophobicContact CB-CG1 4.47Å; I339-V357 HydrophobicContact CB-CG2 4.33Å; I339-V357 HydrophobicContact CG2-CG1 3.85Å; I339-V357 HydrophobicContact CG2-CG2 4.37Å; I339-L367 HydrophobicContact CD1-CD1 4.47Å; I339-I369 HydrophobicContact CB-CD1 4.26Å; I339-I369 HydrophobicContact CB-CG1 4.47Å; I339-I369 HydrophobicContact CD1-CD1 4.1Å; I339-I369 HydrophobicContact CD1-CG1 4.03Å; I339-I369 HydrophobicContact CG1-CD1 4.43Å; I339-I369 HydrophobicContact CG1-CG1 4.22Å; I339-I369 WeakPolarHBondContact O-CG2 3.33Å
340	F	86.7	Confident	84.9	Confident	101 Å²	101	67 Å²	67	44%	0.443	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-89.7	-3	177.1	-54.1	-66.3	0	0	0	113.5	Q337 R338 L367 T368	Q337-F340 WeakPolarHBondContact O-CB 3.24Å; Q337-F340 WeakPolarHBondContact O-CD2 3.5Å; Q337-F340 PolarHBondContact O-N 2.97Å; R338-F340 PolarHBondContact O-N 3.32Å; R338-F340 VanDerWaalsContact O-N 3.13Å; F340-L367 HydrophobicContact CZ-CD2 4.47Å; F340-T368 WeakPolarHBondContact CE1-O 3.31Å
341	E	89.5	Confident	85.6	Confident	64 Å²	64	65.3 Å²	65.3	30%	0.299	37%	0.371	S	S	.	.	S	Bend	trans	-61.6	146.2	172.4	-69.3	171.5	-160.3	0	0	110.8	R323 R338 K355	R323-E341 IonicContact CZ-OE2 3.77Å; R323-E341 IonicContact NH1-OE2 2.82Å; R323-E341 PolarHBondContact NH1-OE2 3Å; R338-E341 HydrophobicContact CB-CG 4.45Å; R338-E341 WeakPolarHBondContact CB-OE1 3.09Å; R338-E341 WeakPolarHBondContact CG-OE1 3.35Å; R338-E341 IonicContact NE-OE1 2.79Å; R338-E341 PolarHBondContact NE-OE1 3.27Å; R338-E341 VanDerWaalsContact NE-OE1 3.08Å; R338-E341 VanDerWaalsContact O-CB 3.27Å; R338-E341 WeakPolarHBondContact O-CB 3.42Å; R338-E341 WeakPolarHBondContact O-CG 3.41Å; R338-E341 PolarHBondContact O-N 2.83Å; E341-K355 PolarHBondContact O-NZ 2.74Å
342	S	91.1	Very high	86.3	Confident	94 Å²	94	66 Å²	66	66%	0.657	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-64.8	147	172.4	-55.2	0	0	0	0	111.4	R323	R323-S342 PolarHBondContact NH1-O 3.39Å
343	P	93.5	Very high	87.3	Confident	54 Å²	54	65.2 Å²	65.2	35%	0.351	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-63.3	160.9	174.9	27.3	-34.6	0	0	0	111.8	D290 K355	D290-P343 WeakPolarHBondContact OD1-CB 3.34Å; P343-K355 HydrophobicContact CB-CB 4.19Å
344	P	93.2	Very high	88.4	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.032	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-54.5	146.2	170.5	-23.1	33.8	0	0	0	111.9	E321 R323 G353 R354	E321-P344 HydrophobicContact CB-CB 3.86Å; E321-P344 HydrophobicContact CB-CG 4.23Å; E321-P344 HydrophobicContact CG-CB 4.01Å; E321-P344 HydrophobicContact CG-CG 3.99Å; R323-P344 HydrophobicContact CB-CG 3.77Å; P344-G353 WeakPolarHBondContact O-CA 3.29Å; P344-R354 VanDerWaalsContact CD-O 3.29Å; P344-R354 WeakPolarHBondContact CD-O 3.45Å
345	P	92	Very high	89.3	Confident	104 Å²	104	58 Å²	58	68%	0.675	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-66.5	161.2	176.5	29.9	-35	0	0	0	111.3
346	K	90.6	Very high	90.1	Very high	112 Å²	112	55.2 Å²	55.2	49%	0.487	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-61.2	143	171	-65.7	-168.3	179.2	173.2	0	111	E288 A351	E288-K346 WeakPolarHBondContact OE1-CE 3.5Å; E288-K346 IonicContact OE1-NZ 2.88Å; E288-K346 PolarHBondContact OE1-NZ 2.99Å; K346-A351 WeakPolarHBondContact CA-O 3.23Å
347	R	88.5	Confident	90.8	Very high	93 Å²	93	54.8 Å²	54.8	35%	0.351	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-72.3	160.2	170.4	-72.5	-169.1	175.7	-179.5	4.8	110.6	P317 V319 N349 G350 A351	P317-R347 VanDerWaalsContact C-NH1 3.29Å; P317-R347 VanDerWaalsContact CA-NH1 3.34Å; P317-R347 PolarHBondContact O-NH1 3.44Å; V319-R347 WeakPolarHBondContact O-CD 3.41Å; V319-R347 PolarHBondContact O-NE 3.03Å; V319-R347 PolarHBondContact O-NH1 2.47Å; R347-N349 WeakPolarHBondContact CB-OD1 3.46Å; R347-N349 PolarHBondContact O-N 2.97Å; R347-N349 VanDerWaalsContact O-N 3.15Å; R347-G350 PolarHBondContact O-N 3.26Å; R347-A351 HydrophobicContact CB-CB 4.44Å; R347-A351 PolarHBondContact N-O 3.34Å
348	A	87.2	Confident	91.6	Very high	119 Å²	119	48.9 Å²	48.9	98%	0.983	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.6	-179.5	0	0	0	0	0	113.7	G350	A348-G350 PolarHBondContact O-N 3.37Å
349	N	86.9	Confident	91.9	Very high	85 Å²	85	44.7 Å²	44.7	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	2.4	175.1	68.8	-8.6	0	0	0	113.8	D318 R347 A351	D318-N349 WeakPolarHBondContact CA-ND2 3.44Å; D318-N349 PolarHBondContact O-ND2 2.91Å; R347-N349 WeakPolarHBondContact CB-OD1 3.46Å; R347-N349 PolarHBondContact O-N 2.97Å; R347-N349 VanDerWaalsContact O-N 3.15Å; N349-A351 WeakPolarHBondContact OD1-CB 3.48Å; N349-A351 PolarHBondContact OD1-N 2.82Å
350	G	87.5	Confident	92.2	Very high	49 Å²	49	45.2 Å²	45.2	51%	0.505	27%	0.273	S	S	.	.			trans	88	-4.7	-178.5	0	0	0	0	0	114.9	R347 A348 V352	R347-G350 PolarHBondContact O-N 3.26Å; A348-G350 PolarHBondContact O-N 3.37Å; G350-V352 PolarHBondContact O-N 3.49Å
351	A	89.2	Confident	92.4	Very high	21 Å²	21	42.8 Å²	42.8	17%	0.174	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.5	131.9	179.8	0	0	0	0	0	111.5	D318 K346 R347 N349 G353	D318-A351 WeakPolarHBondContact O-CB 3.2Å; K346-A351 WeakPolarHBondContact CA-O 3.23Å; R347-A351 HydrophobicContact CB-CB 4.44Å; R347-A351 PolarHBondContact N-O 3.34Å; N349-A351 WeakPolarHBondContact OD1-CB 3.48Å; N349-A351 PolarHBondContact OD1-N 2.82Å; A351-G353 PolarHBondContact O-N 3.27Å
352	V	92.4	Very high	92.3	Very high	23 Å²	23	40 Å²	40	14%	0.139	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-72.7	122	-173.8	179.4	0	0	0	0	110.6	E288 G320 G350 R354	E288-V352 HydrophobicContact CB-CG1 4.45Å; E288-V352 HydrophobicContact CG-CG1 3.94Å; E288-V352 HydrophobicContact CG-CG2 4.39Å; G320-V352 WeakPolarHBondContact CA-O 3.41Å; G350-V352 PolarHBondContact O-N 3.49Å; V352-R354 HydrophobicContact CG1-CG 3.91Å
353	G	93.6	Very high	92.2	Very high	9 Å²	9	35.7 Å²	35.7	9%	0.093	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-75	134.6	166	0	0	0	0	0	110.3	E321 P344 A351	E321-G353 WeakPolarHBondContact O-CA 3.05Å; P344-G353 WeakPolarHBondContact O-CA 3.29Å; A351-G353 PolarHBondContact O-N 3.27Å
354	R	95.8	Very high	91.9	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156	-176.8	-60.7	-172.8	-168.9	-80.9	-1.7	111.4	H282 E285 I287 G289 E321 L322 R323 P344 V352	H282-R354 VanDerWaalsContact ND1-CD 3.33Å; H282-R354 WeakPolarHBondContact ND1-CD 3.15Å; E285-R354 PolarHBondContact O-NH2 3.31Å; I287-R354 VanDerWaalsContact O-CZ 3.26Å; I287-R354 PolarHBondContact O-NH1 3.09Å; I287-R354 PolarHBondContact O-NH2 3.15Å; G289-R354 VanDerWaalsContact N-NH1 3.14Å; G289-R354 PolarHBondContact O-NH1 3.34Å; E321-R354 PolarHBondContact O-N 2.93Å; L322-R354 WeakPolarHBondContact CA-O 3.45Å; L322-R354 HydrophobicContact CD1-CB 3.7Å; R323-R354 PolarHBondContact N-O 3.13Å; P344-R354 VanDerWaalsContact CD-O 3.29Å; P344-R354 WeakPolarHBondContact CD-O 3.45Å; V352-R354 HydrophobicContact CG1-CG 3.91Å
355	K	96	Very high	91.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.4	163.9	173	-177.1	56.8	-174.7	0	109.1	D290 I291 R323 I325 I339 E341 P343 V357	D290-K355 WeakPolarHBondContact CA-O 3Å; D290-K355 HydrophobicContact CB-CB 4.39Å; D290-K355 WeakPolarHBondContact CB-O 3.35Å; D290-K355 WeakPolarHBondContact OD1-CB 3.4Å; D290-K355 PolarHBondContact OD1-N 3.44Å; D290-K355 WeakPolarHBondContact OD2-CE 3.26Å; D290-K355 IonicContact OD2-NZ 3.92Å; I291-K355 PolarHBondContact N-O 3.46Å; R323-K355 CarbonylContact O-C 3.47Å; R323-K355 WeakPolarHBondContact O-CA 3.35Å; I325-K355 HydrophobicContact CD1-CD 3.58Å; I325-K355 HydrophobicContact CD1-CG 3.87Å; I325-K355 HydrophobicContact CG1-CD 4.45Å; I325-K355 HydrophobicContact CG1-CG 4.23Å; I339-K355 PolarHBondContact O-NZ 2.88Å; E341-K355 PolarHBondContact O-NZ 2.74Å; P343-K355 HydrophobicContact CB-CB 4.19Å; K355-V357 HydrophobicContact CD-CG2 4.1Å; K355-V357 HydrophobicContact CG-CG2 4.13Å
356	V	97.5	Very high	90.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.5	166.9	60	0	0	0	0	109.1	V278 I291 I308 L322 R323 C324 I325 V358	V278-V356 HydrophobicContact CG1-CG2 4.16Å; V278-V356 HydrophobicContact CG2-CG2 4.31Å; I291-V356 HydrophobicContact CB-CB 4.1Å; I291-V356 HydrophobicContact CB-CG2 3.92Å; I291-V356 HydrophobicContact CG2-CG2 3.96Å; I291-V356 CarbonylContact O-C 3.46Å; I291-V356 WeakPolarHBondContact O-CA 3.31Å; I308-V356 HydrophobicContact CG2-CG1 4.42Å; L322-V356 HydrophobicContact CD1-CB 4.13Å; L322-V356 HydrophobicContact CD1-CG1 4.02Å; L322-V356 HydrophobicContact CD2-CG1 3.82Å; L322-V356 HydrophobicContact CG-CB 4.48Å; L322-V356 HydrophobicContact CG-CG1 3.84Å; R323-V356 PolarHBondContact O-N 3.45Å; C324-V356 HydrophobicContact CB-CG1 3.9Å; I325-V356 PolarHBondContact N-O 3.1Å; V356-V358 HydrophobicContact CG2-CG2 4.03Å
357	V	97.1	Very high	89.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.5	172.2	-177.4	0	0	0	0	107.8	I291 L292 L293 I325 L327 I339 K355 I369	I291-V357 PolarHBondContact O-N 3.39Å; L292-V357 WeakPolarHBondContact CA-O 3.1Å; L292-V357 HydrophobicContact CD1-CB 4.02Å; L292-V357 HydrophobicContact CD1-CG1 4.06Å; L293-V357 PolarHBondContact N-O 2.86Å; I325-V357 WeakPolarHBondContact O-CA 3.3Å; L327-V357 HydrophobicContact CB-CG1 4.09Å; L327-V357 HydrophobicContact CD2-CG1 4.39Å; I339-V357 HydrophobicContact CB-CG1 4.47Å; I339-V357 HydrophobicContact CB-CG2 4.33Å; I339-V357 HydrophobicContact CG2-CG1 3.85Å; I339-V357 HydrophobicContact CG2-CG2 4.37Å; K355-V357 HydrophobicContact CD-CG2 4.1Å; K355-V357 HydrophobicContact CG-CG2 4.13Å; V357-I369 HydrophobicContact CB-CD1 4.35Å; V357-I369 HydrophobicContact CG1-CD1 4Å; V357-I369 HydrophobicContact CG2-CD1 4.28Å; V357-I369 HydrophobicContact CG2-CG2 4.46Å
358	V	97.8	Very high	88.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	104.8	178.7	-171.5	0	0	0	0	107.7	L293 L295 I301 A304 I308 I325 P326 L327 V356	L293-V358 HydrophobicContact CD2-CG1 4.05Å; L293-V358 HydrophobicContact CD2-CG2 4.39Å; L293-V358 HydrophobicContact CG-CG1 4.28Å; L295-V358 HydrophobicContact CD1-CG1 3.5Å; L295-V358 VanDerWaalsContact CD1-CG1 3.5Å; L295-V358 HydrophobicContact CG-CG1 4.13Å; I301-V358 HydrophobicContact CB-CG1 4.3Å; I301-V358 HydrophobicContact CG1-CG1 4.12Å; I301-V358 HydrophobicContact CG2-CB 4.15Å; I301-V358 HydrophobicContact CG2-CG1 3.92Å; I301-V358 WeakPolarHBondContact CG2-O 3.28Å; A304-V358 HydrophobicContact CB-CG1 4.2Å; I308-V358 HydrophobicContact CD1-CG2 4.2Å; I325-V358 PolarHBondContact O-N 2.53Å; P326-V358 CarbonylContact C-O 3.49Å; P326-V358 WeakPolarHBondContact CA-O 3.5Å; L327-V358 PolarHBondContact N-O 3.27Å; V356-V358 HydrophobicContact CG2-CG2 4.03Å
359	S	95.5	Very high	88.6	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.3	-162.6	-179.1	0	0	0	0	113.1	L293 F294 L295 L327 I362 A363	L293-S359 PolarHBondContact O-N 2.91Å; F294-S359 CarbonylContact C-O 3.53Å; F294-S359 VanDerWaalsContact CA-O 3.3Å; F294-S359 WeakPolarHBondContact CA-O 3.31Å; L295-S359 PolarHBondContact N-O 3.12Å; L327-S359 WeakPolarHBondContact CD2-OG 3.44Å; L327-S359 CarbonylContact O-C 3.5Å; L327-S359 VanDerWaalsContact O-CA 3.24Å; L327-S359 WeakPolarHBondContact O-CA 3.4Å; S359-I362 WeakPolarHBondContact OG-CG2 3.42Å; S359-A363 VanDerWaalsContact OG-CB 3.29Å; S359-A363 WeakPolarHBondContact OG-CB 3.43Å; S359-A363 PolarHBondContact OG-N 2.93Å
360	T	93.7	Very high	88.4	Confident	14 Å²	14	18.8 Å²	18.8	9%	0.086	12%	0.121	C	C	.	.			trans	-71.6	-174.2	157.5	67.5	0	0	0	0	111.1	F294 L295 I301 L327 I362 A363	F294-T360 WeakPolarHBondContact CD1-O 3.29Å; L295-T360 WeakPolarHBondContact O-CA 3.39Å; I301-T360 HydrophobicContact CD1-CG2 3.49Å; I301-T360 VanDerWaalsContact CD1-CG2 3.49Å; L327-T360 PolarHBondContact O-N 2.98Å; T360-I362 PolarHBondContact O-N 3.2Å; T360-I362 WeakPolarHBondContact OG1-CG2 3.02Å; T360-I362 PolarHBondContact OG1-N 3.48Å; T360-A363 PolarHBondContact O-N 3.12Å
361	N	91.2	Very high	88.6	Confident	50 Å²	50	17.4 Å²	17.4	27%	0.267	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-59.1	0.6	169.5	69.4	-1.9	0	0	0	114.2	R133 A363 E364	R133-N361 VanDerWaalsContact CZ-O 3.25Å; R133-N361 PolarHBondContact NH1-O 3.01Å; R133-N361 PolarHBondContact NH1-OD1 3.01Å; R133-N361 PolarHBondContact NH2-O 2.95Å; N361-A363 PolarHBondContact O-N 2.92Å; N361-E364 HydrophobicContact CB-CB 4.21Å; N361-E364 WeakPolarHBondContact O-CB 3.27Å; N361-E364 PolarHBondContact O-N 2.86Å
362	I	87.2	Confident	88.8	Confident	6 Å²	6	16.6 Å²	16.6	3%	0.031	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-58.9	-28.8	170.9	-165.7	169.9	0	0	0	114.4	V135 L327 S359 T360 L367	V135-I362 HydrophobicContact CB-CD1 4.41Å; V135-I362 HydrophobicContact CG2-CD1 3.89Å; L327-I362 HydrophobicContact CD1-CG2 4.49Å; L327-I362 HydrophobicContact CD2-CG2 3.73Å; L327-I362 HydrophobicContact CG-CG2 3.6Å; S359-I362 WeakPolarHBondContact OG-CG2 3.42Å; T360-I362 PolarHBondContact O-N 3.2Å; T360-I362 WeakPolarHBondContact OG1-CG2 3.02Å; T360-I362 PolarHBondContact OG1-N 3.48Å; I362-L367 HydrophobicContact CG1-CD1 4.16Å
363	A	88.8	Confident	88.9	Confident	2 Å²	2	15.5 Å²	15.5	2%	0.017	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-89	-0.1	172.8	0	0	0	0	0	113.5	L292 F294 L327 S359 T360 N361 I369 R411	L292-A363 HydrophobicContact CD1-CB 3.94Å; L292-A363 HydrophobicContact CD2-CB 4.11Å; F294-A363 HydrophobicContact CE1-CB 4.01Å; F294-A363 HydrophobicContact CZ-CB 4.3Å; L327-A363 HydrophobicContact CD2-CB 4.2Å; S359-A363 VanDerWaalsContact OG-CB 3.29Å; S359-A363 WeakPolarHBondContact OG-CB 3.43Å; S359-A363 PolarHBondContact OG-N 2.93Å; T360-A363 PolarHBondContact O-N 3.12Å; N361-A363 PolarHBondContact O-N 2.92Å; A363-I369 HydrophobicContact CB-CD1 4.42Å; A363-R411 WeakPolarHBondContact O-CD 3.39Å
364	E	87.8	Confident	89.1	Confident	14 Å²	14	15 Å²	15	7%	0.065	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-35.6	-177.8	-171.3	171.5	127	0	0	111.5	F294 N361 S404 Q407 R408 R411	F294-E364 HydrophobicContact CE1-CB 4.13Å; N361-E364 HydrophobicContact CB-CB 4.21Å; N361-E364 WeakPolarHBondContact O-CB 3.27Å; N361-E364 PolarHBondContact O-N 2.86Å; E364-S404 WeakPolarHBondContact OE1-CA 3.47Å; E364-S404 WeakPolarHBondContact OE1-CB 3.46Å; E364-S404 PolarHBondContact OE1-OG 3.18Å; E364-Q407 HydrophobicContact CG-CB 3.92Å; E364-R408 HydrophobicContact CG-CG 3.91Å; E364-R408 IonicContact OE2-CZ 2.97Å; E364-R408 IonicContact OE2-NE 3.63Å; E364-R408 PolarHBondContact OE2-NE 2.93Å; E364-R408 IonicContact OE2-NH2 3.64Å; E364-R408 PolarHBondContact OE2-NH2 3.04Å; E364-R411 PolarHBondContact O-NH1 3.44Å; E364-R411 PolarHBondContact O-NH2 2.85Å
365	T	77.3	Confident	89.2	Confident	3 Å²	3	15 Å²	15	2%	0.018	9%	0.089	C	C	.	.	S	Bend	trans	-140	161.1	-171.9	46.3	0	0	0	0	109.9	R133 E200 E203 L367	R133-T365 PolarHBondContact NE-OG1 2.83Å; R133-T365 PolarHBondContact NH2-OG1 3.33Å; E200-T365 WeakPolarHBondContact OE2-CB 3.42Å; E203-T365 HydrophobicContact CG-CG2 4.45Å; E203-T365 VanDerWaalsContact OE1-CB 3.29Å; E203-T365 WeakPolarHBondContact OE1-CB 3.49Å; E203-T365 PolarHBondContact OE1-OG1 3.28Å; T365-L367 PolarHBondContact O-N 2.93Å
366	S	70.2	Confident	89.4	Confident	19 Å²	19	14.9 Å²	14.9	13%	0.133	9%	0.088	C	C	.	.	S	Bend	trans	61.4	-38.8	177.3	-33	0	0	0	0	119	E200	E200-S366 PolarHBondContact OE2-N 3.44Å
367	L	74.9	Confident	89.4	Confident	8 Å²	8	14.9 Å²	14.9	4%	0.042	9%	0.088	C	C	.	.			trans	-91.6	139.8	-177.9	-67.4	175.3	0	0	0	112.1	V135 L327 I339 F340 I362 T365 R414	V135-L367 HydrophobicContact CG1-CD1 4.31Å; V135-L367 HydrophobicContact CG1-CD2 4.33Å; L327-L367 HydrophobicContact CD2-CD1 4.48Å; I339-L367 HydrophobicContact CD1-CD1 4.47Å; F340-L367 HydrophobicContact CZ-CD2 4.47Å; I362-L367 HydrophobicContact CG1-CD1 4.16Å; T365-L367 PolarHBondContact O-N 2.93Å; L367-R414 PolarHBondContact O-NH1 3.18Å; L367-R414 PolarHBondContact O-NH2 3.18Å
368	T	75.4	Confident	89.4	Confident	49 Å²	49	15.1 Å²	15.1	30%	0.301	9%	0.09	S	C	.	.			trans	-120.4	105.5	175.1	-55.1	0	0	0	0	111.6	F340 R414	F340-T368 WeakPolarHBondContact CE1-O 3.31Å; T368-R414 VanDerWaalsContact CA-NH1 3.25Å; T368-R414 PolarHBondContact OG1-NH1 3.43Å
369	I	84.8	Confident	89.4	Confident	11 Å²	11	15.2 Å²	15.2	6%	0.056	9%	0.091	C	C	.	.			trans	-92.1	103.5	176.5	-53.5	172.3	0	0	0	107.6	L292 I339 V357 A363 V372	L292-I369 HydrophobicContact CD1-CD1 4.32Å; I339-I369 HydrophobicContact CB-CD1 4.26Å; I339-I369 HydrophobicContact CB-CG1 4.47Å; I339-I369 HydrophobicContact CD1-CD1 4.1Å; I339-I369 HydrophobicContact CD1-CG1 4.03Å; I339-I369 HydrophobicContact CG1-CD1 4.43Å; I339-I369 HydrophobicContact CG1-CG1 4.22Å; I339-I369 WeakPolarHBondContact O-CG2 3.33Å; V357-I369 HydrophobicContact CB-CD1 4.35Å; V357-I369 HydrophobicContact CG1-CD1 4Å; V357-I369 HydrophobicContact CG2-CD1 4.28Å; V357-I369 HydrophobicContact CG2-CG2 4.46Å; A363-I369 HydrophobicContact CB-CD1 4.42Å; I369-V372 HydrophobicContact CB-CG2 3.84Å; I369-V372 HydrophobicContact CG2-CG2 3.73Å
370	D	83.6	Confident	89.5	Confident	113 Å²	113	18.5 Å²	18.5	60%	0.604	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	140.4	176.8	-69.1	-20.5	0	0	0	110.5
371	G	89.8	Confident	89.5	Confident	21 Å²	21	18.1 Å²	18.1	22%	0.216	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-12.4	179.5	0	0	0	0	0	115.1	D290 V373	D290-G371 PolarHBondContact N-O 3.38Å; G371-V373 PolarHBondContact O-N 3.18Å
372	V	94.1	Very high	89.4	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.018	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.9	176.1	177	0	0	0	0	110.5	D290 L292 I369 V375	D290-V372 HydrophobicContact CB-CG2 4.35Å; L292-V372 HydrophobicContact CB-CG1 3.72Å; L292-V372 HydrophobicContact CB-CG2 4.28Å; I369-V372 HydrophobicContact CB-CG2 3.84Å; I369-V372 HydrophobicContact CG2-CG2 3.73Å; V372-V375 HydrophobicContact CG1-CG2 4.19Å
373	V	95.8	Very high	89.4	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-28.2	178	177.6	0	0	0	0	110.7	I287 G289 D290 G371 A412 R416 G418 K419	I287-V373 HydrophobicContact CD1-CG1 4.12Å; G289-V373 VanDerWaalsContact CA-CG2 3.49Å; D290-V373 PolarHBondContact O-N 3.49Å; G371-V373 PolarHBondContact O-N 3.18Å; V373-A412 WeakPolarHBondContact O-CB 3.45Å; V373-R416 HydrophobicContact CG2-CG 3.71Å; V373-G418 CarbonylContact O-C 3.3Å; V373-G418 WeakPolarHBondContact O-CA 3.4Å; V373-K419 PolarHBondContact O-N 3.18Å
374	F	97.8	Very high	89.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.4	-178.9	-51	-77.3	0	0	0	109.9	I281 E285 I287 D290 I291 L292 K419 F421	I281-F374 HydrophobicContact CD1-CB 4.22Å; I281-F374 HydrophobicContact CG2-CB 4.1Å; I281-F374 HydrophobicContact CG2-CD1 3.97Å; I281-F374 HydrophobicContact CG2-CD2 3.74Å; I281-F374 HydrophobicContact CG2-CE1 4.31Å; I281-F374 HydrophobicContact CG2-CE2 4.11Å; I281-F374 HydrophobicContact CG2-CG 3.65Å; I281-F374 HydrophobicContact CG2-CZ 4.35Å; E285-F374 HydrophobicContact CB-CE1 4.04Å; E285-F374 HydrophobicContact CB-CZ 3.71Å; E285-F374 HydrophobicContact CG-CD1 4.44Å; E285-F374 HydrophobicContact CG-CE1 3.63Å; E285-F374 HydrophobicContact CG-CZ 3.86Å; I287-F374 HydrophobicContact CD1-CE1 4.19Å; I287-F374 HydrophobicContact CD1-CZ 3.9Å; I287-F374 HydrophobicContact CG1-CE1 4.31Å; I287-F374 HydrophobicContact CG1-CE2 4.5Å; I287-F374 HydrophobicContact CG1-CZ 3.6Å; D290-F374 PolarHBondContact O-N 3.41Å; D290-F374 VanDerWaalsContact O-N 3.1Å; I291-F374 CarbonylContact C-O 3.26Å; I291-F374 WeakPolarHBondContact CA-O 3.14Å; I291-F374 HydrophobicContact CG1-CB 4.22Å; I291-F374 HydrophobicContact CG1-CD2 4.23Å; L292-F374 PolarHBondContact N-O 2.95Å; F374-K419 WeakPolarHBondContact CA-O 3.5Å; F374-K419 HydrophobicContact CD1-CB 4.16Å; F374-K419 HydrophobicContact CD1-CD 4.49Å; F374-K419 HydrophobicContact CE1-CD 4.22Å; F374-F421 HydrophobicContact CD1-CE2 4.09Å
375	V	97.7	Very high	89.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137	172.2	170.3	0	0	0	0	108.7	L292 F294 V372 R408 R411 A412 K419 C420 F421	L292-V375 HydrophobicContact CB-CG2 4.32Å; L292-V375 CarbonylContact O-C 3.58Å; L292-V375 WeakPolarHBondContact O-CA 3.4Å; F294-V375 HydrophobicContact CD2-CG1 4.05Å; F294-V375 HydrophobicContact CE2-CG1 3.85Å; V372-V375 HydrophobicContact CG1-CG2 4.19Å; V375-R408 HydrophobicContact CG1-CB 4.47Å; V375-R411 HydrophobicContact CG2-CB 3.93Å; V375-A412 HydrophobicContact CB-CB 4.44Å; V375-A412 HydrophobicContact CG2-CB 3.8Å; V375-K419 PolarHBondContact N-O 3.41Å; V375-C420 HydrophobicContact CB-CB 4.35Å; V375-C420 CarbonylContact O-C 3.56Å; V375-C420 WeakPolarHBondContact O-CA 3.4Å; V375-F421 PolarHBondContact O-N 3.43Å
376	I	98.6	Very high	89.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.1	172	-53.9	169.9	0	0	0	107.3	T277 V278 I281 I291 L292 L293 F294 P378 F421 L423	T277-I376 HydrophobicContact CG2-CD1 3.89Å; T277-I376 HydrophobicContact CG2-CG1 3.97Å; T277-I376 HydrophobicContact CG2-CG2 4.22Å; V278-I376 HydrophobicContact CB-CD1 4.23Å; V278-I376 HydrophobicContact CG2-CD1 3.34Å; I281-I376 HydrophobicContact CD1-CD1 3.83Å; I281-I376 HydrophobicContact CD1-CG1 3.85Å; I291-I376 HydrophobicContact CG2-CD1 3.77Å; I291-I376 HydrophobicContact CG2-CG1 4.21Å; L292-I376 PolarHBondContact O-N 3.27Å; L293-I376 HydrophobicContact CB-CB 4.46Å; L293-I376 HydrophobicContact CD1-CB 3.74Å; L293-I376 HydrophobicContact CD1-CG2 3.66Å; F294-I376 PolarHBondContact N-O 3.23Å; F294-I376 VanDerWaalsContact N-O 3.11Å; I376-P378 WeakPolarHBondContact O-CD 3.39Å; I376-F421 WeakPolarHBondContact CA-O 3.47Å; I376-L423 HydrophobicContact CG2-CD1 3.95Å; I376-L423 HydrophobicContact CG2-CD2 4.2Å; I376-L423 HydrophobicContact CG2-CG 4.13Å
377	D	98.3	Very high	90.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	98.8	-175.5	-171.4	7.1	0	0	0	110.9	G379 R408 F421 R422 L423 Y424	D377-G379 PolarHBondContact O-N 2.93Å; D377-G379 PolarHBondContact OD1-N 3.2Å; D377-R408 VanDerWaalsContact CG-CD 3.5Å; D377-R408 VanDerWaalsContact OD1-CD 3.3Å; D377-R408 WeakPolarHBondContact OD1-CD 3.42Å; D377-R408 IonicContact OD1-CZ 2.79Å; D377-R408 IonicContact OD1-NE 3.81Å; D377-R408 IonicContact OD1-NH1 3.47Å; D377-R408 PolarHBondContact OD1-NH1 3.5Å; D377-R408 WeakPolarHBondContact OD2-CD 3.38Å; D377-F421 PolarHBondContact N-O 3.43Å; D377-R422 HydrophobicContact CB-CG 4.31Å; D377-R422 WeakPolarHBondContact O-CA 3.36Å; D377-L423 PolarHBondContact O-N 3.37Å; D377-Y424 VanDerWaalsContact O-CE1 3.29Å; D377-Y424 WeakPolarHBondContact O-CE1 3.25Å; D377-Y424 PolarHBondContact OD2-OH 2.83Å
378	P	98	Very high	90.6	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.026	16%	0.158	C	C	.	.			trans	-65.2	-14.6	171.1	-27.2	39	0	0	0	114.8	Y270 A274 L293 F294 L295 I376 F380 L423	Y270-P378 HydrophobicContact CD2-CB 3.78Å; Y270-P378 HydrophobicContact CD2-CG 4.39Å; Y270-P378 HydrophobicContact CG-CB 4.22Å; A274-P378 HydrophobicContact CB-CG 4.34Å; L293-P378 HydrophobicContact CD1-CG 4.12Å; F294-P378 WeakPolarHBondContact O-CD 3.43Å; F294-P378 WeakPolarHBondContact O-CG 3.42Å; L295-P378 HydrophobicContact CD2-CG 4.18Å; I376-P378 WeakPolarHBondContact O-CD 3.39Å; P378-F380 HydrophobicContact CB-CD2 4.43Å; P378-F380 VanDerWaalsContact O-CD2 3.22Å; P378-F380 WeakPolarHBondContact O-CD2 3.17Å; P378-F380 WeakPolarHBondContact O-CE2 3.34Å; P378-L423 HydrophobicContact CB-CD1 4.37Å; P378-L423 HydrophobicContact CG-CD1 4.03Å
379	G	97.1	Very high	90.7	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	84.3	11.8	178.3	0	0	0	0	0	115.3	D377 A399 I400 Y424	D377-G379 PolarHBondContact O-N 2.93Å; D377-G379 PolarHBondContact OD1-N 3.2Å; G379-A399 CarbonylContact O-C 3.59Å; G379-A399 WeakPolarHBondContact O-CA 3.35Å; G379-I400 PolarHBondContact O-N 3.24Å; G379-Y424 VanDerWaalsContact CA-CE1 3.47Å
380	F	96.7	Very high	90.4	Very high	70 Å²	70	37.2 Å²	37.2	31%	0.307	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	156.3	-179	-61.6	-76.3	0	0	0	113.7	Y270 T296 P378 V397 T398 A399 R408	Y270-F380 AromaticContact CD1-CD2 3.77Å; Y270-F380 HydrophobicContact CD1-CD2 3.77Å; Y270-F380 AromaticContact CD1-CE2 3.73Å; Y270-F380 HydrophobicContact CD1-CE2 3.73Å; Y270-F380 HydrophobicContact CD2-CD2 4.46Å; Y270-F380 HydrophobicContact CE1-CD2 4.03Å; Y270-F380 HydrophobicContact CE1-CE2 4.28Å; Y270-F380 HydrophobicContact CG-CD2 4.01Å; Y270-F380 HydrophobicContact CG-CE2 4.15Å; T296-F380 HydrophobicContact CG2-CB 3.84Å; P378-F380 HydrophobicContact CB-CD2 4.43Å; P378-F380 VanDerWaalsContact O-CD2 3.22Å; P378-F380 WeakPolarHBondContact O-CD2 3.17Å; P378-F380 WeakPolarHBondContact O-CE2 3.34Å; F380-V397 HydrophobicContact CB-CG1 3.92Å; F380-V397 HydrophobicContact CD1-CG1 4.15Å; F380-V397 HydrophobicContact CG-CG1 4.23Å; F380-T398 WeakPolarHBondContact CA-O 3.34Å; F380-A399 HydrophobicContact CE1-CB 4.5Å; F380-R408 PolarHBondContact O-NH1 3.39Å; F380-R408 PolarHBondContact O-NH2 3.14Å
381	A	94.5	Very high	90.3	Very high	5 Å²	5	34.2 Å²	34.2	4%	0.041	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157.6	168.3	0	0	0	0	0	110.3	V397 T398 I400	A381-V397 WeakPolarHBondContact O-CA 3.42Å; A381-T398 PolarHBondContact N-O 3.28Å; A381-T398 PolarHBondContact O-N 3.17Å; A381-I400 HydrophobicContact CB-CG2 3.87Å
382	K	90	Very high	89.7	Confident	87 Å²	87	33.7 Å²	33.7	38%	0.378	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124	166.1	-76.6	-177.9	-174.4	-175.2	0	109.8	T296 L396 V397	T296-K382 WeakPolarHBondContact O-CD 3.39Å; T296-K382 WeakPolarHBondContact O-CG 3.37Å; T296-K382 WeakPolarHBondContact OG1-CE 3.35Å; K382-L396 CarbonylContact C-O 3.58Å; K382-L396 WeakPolarHBondContact CA-O 3.39Å; K382-V397 HydrophobicContact CG-CG2 3.81Å
383	Q	87	Confident	89.1	Confident	36 Å²	36	36.3 Å²	36.3	17%	0.168	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.1	176.6	-69.3	-178.4	-13.3	0	0	110.7	L395 L396 T398	Q383-L395 WeakPolarHBondContact O-CA 3.36Å; Q383-L396 PolarHBondContact N-O 3.01Å; Q383-L396 PolarHBondContact O-N 3.34Å; Q383-T398 WeakPolarHBondContact CG-OG1 3.45Å; Q383-T398 PolarHBondContact OE1-OG1 2.9Å
384	K	84.1	Confident	88.2	Confident	72 Å²	72	37 Å²	37	31%	0.313	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.3	171.7	-156.2	177	-155.6	-140.3	0	109.4	E393 L395 R443	K384-E393 HydrophobicContact CD-CG 4.34Å; K384-E393 WeakPolarHBondContact CD-OE1 3.23Å; K384-E393 WeakPolarHBondContact CE-OE1 3.49Å; K384-E393 WeakPolarHBondContact CE-OE2 3.49Å; K384-E393 HydrophobicContact CG-CG 3.98Å; K384-E393 IonicContact NZ-OE1 3.12Å; K384-E393 PolarHBondContact NZ-OE1 2.82Å; K384-E393 IonicContact NZ-OE2 3.3Å; K384-E393 PolarHBondContact NZ-OE2 2.81Å; K384-L395 HydrophobicContact CB-CD2 4.26Å; K384-R443 WeakPolarHBondContact O-CB 3.28Å; K384-R443 PolarHBondContact O-NH1 2.87Å
385	V	87.1	Confident	87.4	Confident	45 Å²	45	42.6 Å²	42.6	27%	0.273	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126	177.7	-178.6	0	0	0	0	108.6	E393 S394 L396 R443	V385-E393 WeakPolarHBondContact O-CA 3.35Å; V385-S394 PolarHBondContact N-O 2.99Å; V385-S394 PolarHBondContact O-N 3.19Å; V385-L396 HydrophobicContact CB-CD1 4.19Å; V385-L396 HydrophobicContact CG1-CD1 4.43Å; V385-L396 HydrophobicContact CG2-CB 4.38Å; V385-L396 HydrophobicContact CG2-CD1 4.09Å; V385-L396 HydrophobicContact CG2-CG 4.39Å; V385-R443 CarbonylContact C-O 3.51Å; V385-R443 WeakPolarHBondContact CA-O 3.34Å
386	Y	86.5	Confident	86.9	Confident	20 Å²	20	45.1 Å²	45.1	8%	0.078	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.6	173.4	179.5	-115.4	0	0	0	109.8	P388 V392 E393 R443 N445 T474	Y386-P388 HydrophobicContact CD1-CB 4.39Å; Y386-P388 HydrophobicContact CE1-CB 3.85Å; Y386-P388 WeakPolarHBondContact O-CD 3.32Å; Y386-V392 WeakPolarHBondContact CA-O 3.39Å; Y386-V392 WeakPolarHBondContact CD2-O 3.46Å; Y386-E393 HydrophobicContact CD2-CB 4.02Å; Y386-R443 WeakPolarHBondContact CB-O 3.1Å; Y386-R443 PolarHBondContact N-O 3.13Å; Y386-N445 HydrophobicContact CD1-CB 4.5Å; Y386-N445 HydrophobicContact CD2-CB 3.87Å; Y386-N445 HydrophobicContact CE2-CB 3.93Å; Y386-N445 HydrophobicContact CG-CB 4.16Å; Y386-T474 HydrophobicContact CD1-CG2 3.99Å; Y386-T474 HydrophobicContact CE1-CG2 3.98Å
387	N	83.7	Confident	86.4	Confident	67 Å²	67	48.2 Å²	48.2	36%	0.358	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.5	172	-174	-21.9	0	0	0	109.3	R389 I390 R391 V392	N387-R389 PolarHBondContact O-N 3.09Å; N387-R389 WeakPolarHBondContact OD1-CB 3.33Å; N387-R389 PolarHBondContact OD1-N 3.43Å; N387-R389 VanDerWaalsContact OD1-N 3.09Å; N387-I390 HydrophobicContact CB-CD1 4.18Å; N387-I390 HydrophobicContact CB-CG1 3.74Å; N387-I390 PolarHBondContact O-N 3.2Å; N387-R391 WeakPolarHBondContact O-CA 3.37Å; N387-R391 PolarHBondContact O-N 3.03Å; N387-V392 PolarHBondContact N-O 3.35Å; N387-V392 PolarHBondContact O-N 3.09Å
388	P	81.3	Confident	86.1	Confident	23 Å²	23	50.1 Å²	50.1	15%	0.149	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20	-175.4	27.8	-35.5	0	0	0	113.6	Y386 E473 R477	Y386-P388 HydrophobicContact CD1-CB 4.39Å; Y386-P388 HydrophobicContact CE1-CB 3.85Å; Y386-P388 WeakPolarHBondContact O-CD 3.32Å; P388-E473 HydrophobicContact CB-CG 4.23Å; P388-E473 HydrophobicContact CG-CG 4.47Å; P388-R477 HydrophobicContact CB-CG 4.23Å; P388-R477 PolarHBondContact O-NE 3.46Å
389	R	77.7	Confident	86	Confident	179 Å²	179	52.7 Å²	52.7	68%	0.675	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-35.7	-179.7	-68.3	-177.6	179.1	-178.4	1.1	113.2	N387 E473	N387-R389 PolarHBondContact O-N 3.09Å; N387-R389 WeakPolarHBondContact OD1-CB 3.33Å; N387-R389 PolarHBondContact OD1-N 3.43Å; N387-R389 VanDerWaalsContact OD1-N 3.09Å; R389-E473 VanDerWaalsContact CG-OE1 3.28Å; R389-E473 WeakPolarHBondContact CG-OE1 3.36Å
390	I	80.1	Confident	85.9	Confident	35 Å²	35	52.8 Å²	52.8	18%	0.179	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	0.9	179.6	62.7	170.8	0	0	0	112.5	N387 V392 Q656	N387-I390 HydrophobicContact CB-CD1 4.18Å; N387-I390 HydrophobicContact CB-CG1 3.74Å; N387-I390 PolarHBondContact O-N 3.2Å; I390-V392 HydrophobicContact CB-CG2 4.44Å; I390-V392 HydrophobicContact CD1-CB 3.86Å; I390-V392 HydrophobicContact CD1-CG2 3.84Å; I390-V392 HydrophobicContact CG1-CB 3.91Å; I390-V392 HydrophobicContact CG1-CG2 3.91Å; I390-V392 PolarHBondContact O-N 3.31Å; I390-Q656 HydrophobicContact CB-CG 4.39Å
391	R	80	Confident	85.8	Confident	50 Å²	50	49.6 Å²	49.6	19%	0.189	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.5	-179.9	-60.6	179.4	-82.2	-148.7	-10.5	114.1	N387 E480 D654	N387-R391 WeakPolarHBondContact O-CA 3.37Å; N387-R391 PolarHBondContact O-N 3.03Å; R391-E480 IonicContact NH1-OE1 2.98Å; R391-D654 IonicContact CZ-OD1 3.85Å; R391-D654 IonicContact CZ-OD2 3.59Å; R391-D654 IonicContact NE-OD1 3.46Å; R391-D654 PolarHBondContact NE-OD1 3.42Å; R391-D654 IonicContact NE-OD2 2.73Å; R391-D654 PolarHBondContact NE-OD2 3.48Å; R391-D654 VanDerWaalsContact NH2-CG 3.28Å; R391-D654 IonicContact NH2-OD1 3.95Å; R391-D654 PolarHBondContact NH2-OD1 2.88Å; R391-D654 IonicContact NH2-OD2 3.42Å; R391-D654 PolarHBondContact NH2-OD2 2.84Å
392	V	77.7	Confident	85.7	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129	-178.8	171.6	0	0	0	0	110.5	Y386 N387 I390 F678	Y386-V392 WeakPolarHBondContact CA-O 3.39Å; Y386-V392 WeakPolarHBondContact CD2-O 3.46Å; N387-V392 PolarHBondContact N-O 3.35Å; N387-V392 PolarHBondContact O-N 3.09Å; I390-V392 HydrophobicContact CB-CG2 4.44Å; I390-V392 HydrophobicContact CD1-CB 3.86Å; I390-V392 HydrophobicContact CD1-CG2 3.84Å; I390-V392 HydrophobicContact CG1-CB 3.91Å; I390-V392 HydrophobicContact CG1-CG2 3.91Å; I390-V392 PolarHBondContact O-N 3.31Å; V392-F678 HydrophobicContact CB-CD1 4.37Å; V392-F678 HydrophobicContact CB-CG 4.46Å; V392-F678 HydrophobicContact CG1-CB 4.01Å; V392-F678 HydrophobicContact CG1-CD1 3.38Å; V392-F678 HydrophobicContact CG1-CE1 3.94Å; V392-F678 HydrophobicContact CG1-CG 3.76Å; V392-F678 HydrophobicContact CG2-CB 4.29Å; V392-F678 HydrophobicContact CG2-CD1 4.01Å; V392-F678 HydrophobicContact CG2-CD2 3.81Å; V392-F678 HydrophobicContact CG2-CE1 4.25Å; V392-F678 HydrophobicContact CG2-CE2 4.04Å; V392-F678 HydrophobicContact CG2-CG 3.78Å; V392-F678 HydrophobicContact CG2-CZ 4.25Å
393	E	81	Confident	85.6	Confident	58 Å²	58	46.9 Å²	46.9	27%	0.271	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.7	167.4	-166.9	164.6	-129.3	0	0	110.1	K384 V385 Y386 N445	K384-E393 HydrophobicContact CD-CG 4.34Å; K384-E393 WeakPolarHBondContact CD-OE1 3.23Å; K384-E393 WeakPolarHBondContact CE-OE1 3.49Å; K384-E393 WeakPolarHBondContact CE-OE2 3.49Å; K384-E393 HydrophobicContact CG-CG 3.98Å; K384-E393 IonicContact NZ-OE1 3.12Å; K384-E393 PolarHBondContact NZ-OE1 2.82Å; K384-E393 IonicContact NZ-OE2 3.3Å; K384-E393 PolarHBondContact NZ-OE2 2.81Å; V385-E393 WeakPolarHBondContact O-CA 3.35Å; Y386-E393 HydrophobicContact CD2-CB 4.02Å; E393-N445 PolarHBondContact OE1-N 3Å; E393-N445 VanDerWaalsContact OE1-N 3.07Å
394	S	77.1	Confident	85.9	Confident	15 Å²	15	45.9 Å²	45.9	11%	0.105	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	160	-177.7	63.7	0	0	0	0	112	V385	V385-S394 PolarHBondContact N-O 2.99Å; V385-S394 PolarHBondContact O-N 3.19Å
395	L	82.1	Confident	86.3	Confident	118 Å²	118	42.5 Å²	42.5	62%	0.618	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.1	171.1	-71.5	171.3	0	0	0	109.2	Q383 K384	Q383-L395 WeakPolarHBondContact O-CA 3.36Å; K384-L395 HydrophobicContact CB-CD2 4.26Å
396	L	85.5	Confident	86.5	Confident	52 Å²	52	46 Å²	46	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.2	179.4	-61.4	179.8	0	0	0	110.3	K382 Q383 V385 T398 L680	K382-L396 CarbonylContact C-O 3.58Å; K382-L396 WeakPolarHBondContact CA-O 3.39Å; Q383-L396 PolarHBondContact N-O 3.01Å; Q383-L396 PolarHBondContact O-N 3.34Å; V385-L396 HydrophobicContact CB-CD1 4.19Å; V385-L396 HydrophobicContact CG1-CD1 4.43Å; V385-L396 HydrophobicContact CG2-CB 4.38Å; V385-L396 HydrophobicContact CG2-CD1 4.09Å; V385-L396 HydrophobicContact CG2-CG 4.39Å; L396-T398 HydrophobicContact CB-CG2 4.25Å; L396-T398 PolarHBondContact O-N 2.89Å; L396-L680 HydrophobicContact CD2-CD2 4.07Å
397	V	89.6	Confident	86.6	Confident	66 Å²	66	46 Å²	46	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.2	168.8	177.8	0	0	0	0	107.7	T296 F380 A381 K382	T296-V397 HydrophobicContact CG2-CG1 3.83Å; T296-V397 HydrophobicContact CG2-CG2 4.33Å; F380-V397 HydrophobicContact CB-CG1 3.92Å; F380-V397 HydrophobicContact CD1-CG1 4.15Å; F380-V397 HydrophobicContact CG-CG1 4.23Å; A381-V397 WeakPolarHBondContact O-CA 3.42Å; K382-V397 HydrophobicContact CG-CG2 3.81Å
398	T	91.6	Very high	87.1	Confident	40 Å²	40	42.8 Å²	42.8	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.1	-178.3	57.3	0	0	0	0	110.7	F380 A381 Q383 L396	F380-T398 WeakPolarHBondContact CA-O 3.34Å; A381-T398 PolarHBondContact N-O 3.28Å; A381-T398 PolarHBondContact O-N 3.17Å; Q383-T398 WeakPolarHBondContact CG-OG1 3.45Å; Q383-T398 PolarHBondContact OE1-OG1 2.9Å; L396-T398 HydrophobicContact CB-CG2 4.25Å; L396-T398 PolarHBondContact O-N 2.89Å
399	A	95.3	Very high	87.6	Confident	57 Å²	57	42 Å²	42	47%	0.471	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	141.8	172.2	0	0	0	0	0	110.3	G379 F380	G379-A399 CarbonylContact O-C 3.59Å; G379-A399 WeakPolarHBondContact O-CA 3.35Å; F380-A399 HydrophobicContact CE1-CB 4.5Å
400	I	95.4	Very high	88.1	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-76.6	165.4	175.3	68.1	-178.8	0	0	0	111.5	G379 A381 A405 M433	G379-I400 PolarHBondContact O-N 3.24Å; A381-I400 HydrophobicContact CB-CG2 3.87Å; I400-A405 HydrophobicContact CD1-CB 3.83Å; I400-A405 HydrophobicContact CG1-CB 4.37Å; I400-M433 HydrophobicContact CG1-CE 4.43Å
401	S	93.6	Very high	88.5	Confident	3 Å²	3	33 Å²	33	2%	0.021	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-80.7	163.9	170.7	61.5	0	0	0	0	112.3	A403 S404 A405 Q434 T437	S401-A403 VanDerWaalsContact C-N 3.27Å; S401-A403 PolarHBondContact O-N 2.92Å; S401-S404 PolarHBondContact O-N 3.49Å; S401-S404 PolarHBondContact OG-N 2.91Å; S401-S404 PolarHBondContact OG-OG 3Å; S401-A405 PolarHBondContact O-N 2.8Å; S401-Q434 CarbonylContact C-O 3.54Å; S401-Q434 VanDerWaalsContact CA-O 3.26Å; S401-Q434 WeakPolarHBondContact CA-O 3.33Å; S401-Q434 WeakPolarHBondContact CB-O 3.34Å; S401-T437 VanDerWaalsContact CB-N 3.3Å; S401-T437 PolarHBondContact OG-N 2.88Å; S401-T437 PolarHBondContact OG-OG1 3.25Å
402	K	93.6	Very high	89	Confident	22 Å²	22	30.7 Å²	30.7	10%	0.096	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-41.6	171.2	-68	173.9	177.1	174.4	0	111.2	S404 A405 Q406 Y429 T430 M433 Q434 E435	K402-S404 PolarHBondContact O-N 2.85Å; K402-A405 PolarHBondContact O-N 2.87Å; K402-Q406 WeakPolarHBondContact O-CG 3.15Å; K402-Q406 PolarHBondContact O-N 2.89Å; K402-Y429 HydrophobicContact CB-CE2 4.01Å; K402-Y429 WeakPolarHBondContact CE-O 3.47Å; K402-Y429 HydrophobicContact CG-CD2 4.29Å; K402-Y429 HydrophobicContact CG-CE1 4.38Å; K402-Y429 HydrophobicContact CG-CE2 3.81Å; K402-T430 WeakPolarHBondContact CE-O 3.4Å; K402-T430 PolarHBondContact NZ-O 3.42Å; K402-M433 WeakPolarHBondContact CE-O 3.12Å; K402-M433 HydrophobicContact CG-CB 3.99Å; K402-Q434 PolarHBondContact N-O 3.1Å; K402-E435 VanDerWaalsContact CD-OE1 3.25Å; K402-E435 WeakPolarHBondContact CD-OE1 3.46Å; K402-E435 WeakPolarHBondContact CD-OE2 3.38Å; K402-E435 WeakPolarHBondContact CE-OE1 3.26Å; K402-E435 IonicContact NZ-OE1 3.18Å; K402-E435 PolarHBondContact NZ-OE1 3.47Å
403	A	88.6	Confident	89.3	Confident	14 Å²	14	30.2 Å²	30.2	12%	0.116	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-47.3	174.4	0	0	0	0	0	112.2	S401 Q406 Q407 E435	S401-A403 VanDerWaalsContact C-N 3.27Å; S401-A403 PolarHBondContact O-N 2.92Å; A403-Q406 PolarHBondContact O-N 3.5Å; A403-Q407 WeakPolarHBondContact O-CG 3.17Å; A403-Q407 PolarHBondContact O-N 2.62Å; A403-E435 WeakPolarHBondContact CB-O 3.32Å; A403-E435 PolarHBondContact N-O 3.01Å
404	S	91.5	Very high	89.2	Confident	15 Å²	15	29.4 Å²	29.4	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-45.3	175	-79.8	0	0	0	0	112.2	E364 S401 K402 Q406 Q407 R408	E364-S404 WeakPolarHBondContact OE1-CA 3.47Å; E364-S404 WeakPolarHBondContact OE1-CB 3.46Å; E364-S404 PolarHBondContact OE1-OG 3.18Å; S401-S404 PolarHBondContact O-N 3.49Å; S401-S404 PolarHBondContact OG-N 2.91Å; S401-S404 PolarHBondContact OG-OG 3Å; K402-S404 PolarHBondContact O-N 2.85Å; S404-Q406 VanDerWaalsContact C-N 3.26Å; S404-Q406 PolarHBondContact O-N 3.05Å; S404-Q407 WeakPolarHBondContact O-CB 3.26Å; S404-Q407 PolarHBondContact O-N 3.48Å; S404-Q407 VanDerWaalsContact O-N 3.13Å; S404-R408 WeakPolarHBondContact O-CG 3.42Å; S404-R408 PolarHBondContact O-N 3.48Å
405	A	94	Very high	89.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-32.5	177.5	0	0	0	0	0	112.8	I400 S401 K402 A409 R422 Y424 Y429	I400-A405 HydrophobicContact CD1-CB 3.83Å; I400-A405 HydrophobicContact CG1-CB 4.37Å; S401-A405 PolarHBondContact O-N 2.8Å; K402-A405 PolarHBondContact O-N 2.87Å; A405-A409 WeakPolarHBondContact O-CB 3.41Å; A405-A409 PolarHBondContact O-N 2.94Å; A405-A409 VanDerWaalsContact O-N 3.12Å; A405-R422 VanDerWaalsContact C-NH2 3.3Å; A405-R422 PolarHBondContact O-NH2 3.23Å; A405-Y424 WeakPolarHBondContact CB-OH 3.44Å; A405-Y429 HydrophobicContact CB-CD2 4.47Å; A405-Y429 HydrophobicContact CB-CE2 3.99Å
406	Q	90.5	Very high	89.3	Confident	118 Å²	118	31 Å²	31	55%	0.551	17%	0.17	S	C	*	.	H	α-helix	trans	-70.7	-42.5	172.6	-73.2	174.6	-3.1	0	0	111.5	K402 A403 S404 R408 A409 G410 Y429	K402-Q406 WeakPolarHBondContact O-CG 3.15Å; K402-Q406 PolarHBondContact O-N 2.89Å; A403-Q406 PolarHBondContact O-N 3.5Å; S404-Q406 VanDerWaalsContact C-N 3.26Å; S404-Q406 PolarHBondContact O-N 3.05Å; Q406-R408 PolarHBondContact O-N 2.93Å; Q406-A409 PolarHBondContact O-N 3.47Å; Q406-G410 PolarHBondContact O-N 3.37Å; Q406-Y429 PolarHBondContact NE2-OH 3.29Å
407	Q	88.6	Confident	89.6	Confident	21 Å²	21	32 Å²	32	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-44.9	175.9	-71.6	-67.4	-15.6	0	0	111.7	E364 A403 S404 G410 R411	E364-Q407 HydrophobicContact CG-CB 3.92Å; A403-Q407 WeakPolarHBondContact O-CG 3.17Å; A403-Q407 PolarHBondContact O-N 2.62Å; S404-Q407 WeakPolarHBondContact O-CB 3.26Å; S404-Q407 PolarHBondContact O-N 3.48Å; S404-Q407 VanDerWaalsContact O-N 3.13Å; Q407-G410 PolarHBondContact O-N 3.42Å; Q407-R411 PolarHBondContact O-N 3.14Å; Q407-R411 PolarHBondContact O-NE 2.88Å; Q407-R411 PolarHBondContact O-NH2 2.73Å
408	R	93.5	Very high	89.8	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-53.6	174.5	-69.3	-178.6	-178.7	-162.8	-3.3	111.2	F294 E364 V375 D377 F380 S404 Q406 G410 R411	F294-R408 HydrophobicContact CD1-CG 4.31Å; F294-R408 HydrophobicContact CD2-CB 4.02Å; F294-R408 HydrophobicContact CD2-CG 3.8Å; F294-R408 HydrophobicContact CE1-CG 4.14Å; F294-R408 HydrophobicContact CE2-CB 3.65Å; F294-R408 HydrophobicContact CE2-CG 3.61Å; F294-R408 HydrophobicContact CG-CG 4.15Å; F294-R408 HydrophobicContact CZ-CB 4.18Å; F294-R408 HydrophobicContact CZ-CG 3.78Å; E364-R408 HydrophobicContact CG-CG 3.91Å; E364-R408 IonicContact OE2-CZ 2.97Å; E364-R408 IonicContact OE2-NE 3.63Å; E364-R408 PolarHBondContact OE2-NE 2.93Å; E364-R408 IonicContact OE2-NH2 3.64Å; E364-R408 PolarHBondContact OE2-NH2 3.04Å; V375-R408 HydrophobicContact CG1-CB 4.47Å; D377-R408 VanDerWaalsContact CG-CD 3.5Å; D377-R408 VanDerWaalsContact OD1-CD 3.3Å; D377-R408 WeakPolarHBondContact OD1-CD 3.42Å; D377-R408 IonicContact OD1-CZ 2.79Å; D377-R408 IonicContact OD1-NE 3.81Å; D377-R408 IonicContact OD1-NH1 3.47Å; D377-R408 PolarHBondContact OD1-NH1 3.5Å; D377-R408 WeakPolarHBondContact OD2-CD 3.38Å; F380-R408 PolarHBondContact O-NH1 3.39Å; F380-R408 PolarHBondContact O-NH2 3.14Å; S404-R408 WeakPolarHBondContact O-CG 3.42Å; S404-R408 PolarHBondContact O-N 3.48Å; Q406-R408 PolarHBondContact O-N 2.93Å; R408-G410 VanDerWaalsContact C-N 3.29Å; R408-G410 PolarHBondContact O-N 3.28Å; R408-R411 VanDerWaalsContact O-CB 3.29Å; R408-R411 WeakPolarHBondContact O-CB 3.36Å; R408-R411 WeakPolarHBondContact O-CG 3.01Å; R408-R411 PolarHBondContact O-N 3.17Å
409	A	92.6	Very high	90.1	Very high	6 Å²	6	29 Å²	29	5%	0.05	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-41.8	177.6	0	0	0	0	0	112.3	I260 A405 Q406 R411 A412 C420	I260-A409 HydrophobicContact CD1-CB 3.72Å; A405-A409 WeakPolarHBondContact O-CB 3.41Å; A405-A409 PolarHBondContact O-N 2.94Å; A405-A409 VanDerWaalsContact O-N 3.12Å; Q406-A409 PolarHBondContact O-N 3.47Å; A409-R411 PolarHBondContact O-N 3.29Å; A409-A412 WeakPolarHBondContact O-CB 3.3Å; A409-A412 PolarHBondContact O-N 3Å; A409-C420 HydrophobicContact CB-CB 3.84Å
410	G	87.7	Confident	90.2	Very high	19 Å²	19	26.3 Å²	26.3	20%	0.196	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-15.1	178.1	0	0	0	0	0	114.4	Q406 Q407 R408 A412	Q406-G410 PolarHBondContact O-N 3.37Å; Q407-G410 PolarHBondContact O-N 3.42Å; R408-G410 VanDerWaalsContact C-N 3.29Å; R408-G410 PolarHBondContact O-N 3.28Å; G410-A412 VanDerWaalsContact C-N 3.29Å; G410-A412 PolarHBondContact O-N 3.29Å
411	R	89.3	Confident	90.3	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.026	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31.5	173.3	-59.2	-50.9	91.6	139.8	15.5	112.6	T101 L292 F294 A363 E364 V375 Q407 R408 A409	T101-R411 VanDerWaalsContact CG2-NH2 3.29Å; T101-R411 PolarHBondContact OG1-NH1 3.06Å; T101-R411 PolarHBondContact OG1-NH2 2.77Å; L292-R411 HydrophobicContact CD2-CB 3.88Å; L292-R411 HydrophobicContact CD2-CG 3.87Å; F294-R411 HydrophobicContact CZ-CG 4.26Å; A363-R411 WeakPolarHBondContact O-CD 3.39Å; E364-R411 PolarHBondContact O-NH1 3.44Å; E364-R411 PolarHBondContact O-NH2 2.85Å; V375-R411 HydrophobicContact CG2-CB 3.93Å; Q407-R411 PolarHBondContact O-N 3.14Å; Q407-R411 PolarHBondContact O-NE 2.88Å; Q407-R411 PolarHBondContact O-NH2 2.73Å; R408-R411 VanDerWaalsContact O-CB 3.29Å; R408-R411 WeakPolarHBondContact O-CB 3.36Å; R408-R411 WeakPolarHBondContact O-CG 3.01Å; R408-R411 PolarHBondContact O-N 3.17Å; A409-R411 PolarHBondContact O-N 3.29Å
412	A	90.5	Very high	90.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-33.4	-179.5	0	0	0	0	0	113.3	V258 V373 V375 A409 G410 R414	V258-A412 HydrophobicContact CG1-CB 4.01Å; V258-A412 HydrophobicContact CG2-CB 4.2Å; V373-A412 WeakPolarHBondContact O-CB 3.45Å; V375-A412 HydrophobicContact CB-CB 4.44Å; V375-A412 HydrophobicContact CG2-CB 3.8Å; A409-A412 WeakPolarHBondContact O-CB 3.3Å; A409-A412 PolarHBondContact O-N 3Å; G410-A412 VanDerWaalsContact C-N 3.29Å; G410-A412 PolarHBondContact O-N 3.29Å; A412-R414 VanDerWaalsContact C-N 3.34Å; A412-R414 PolarHBondContact O-N 2.97Å
413	G	84.3	Confident	90.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	11.8	-172.2	0	0	0	0	0	115.2	H256 V258	H256-G413 WeakPolarHBondContact CB-O 3.29Å; H256-G413 PolarHBondContact N-O 3.34Å; V258-G413 VanDerWaalsContact CG2-CA 3.49Å
414	R	78.6	Confident	91.2	Very high	41 Å²	41	27.6 Å²	27.6	16%	0.155	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-40	-170.3	-75.4	179.7	168.3	175.4	-20	114.6	T101 L367 T368 A412	T101-R414 PolarHBondContact OG1-NE 3.37Å; T101-R414 PolarHBondContact OG1-NH2 2.9Å; L367-R414 PolarHBondContact O-NH1 3.18Å; L367-R414 PolarHBondContact O-NH2 3.18Å; T368-R414 VanDerWaalsContact CA-NH1 3.25Å; T368-R414 PolarHBondContact OG1-NH1 3.43Å; A412-R414 VanDerWaalsContact C-N 3.34Å; A412-R414 PolarHBondContact O-N 2.97Å
415	T	75.9	Confident	91.5	Very high	54 Å²	54	27.9 Å²	27.9	33%	0.331	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-28.5	-173.6	60.4	0	0	0	0	113.1
416	R	85.7	Confident	91.6	Very high	112 Å²	112	33.7 Å²	33.7	42%	0.423	17%	0.168	S	C	.	.	S	Bend	trans	-162.8	170.3	179.4	62.8	-175.2	73.7	172.8	-1	108.7	H256 V373	H256-R416 WeakPolarHBondContact CB-O 3.42Å; H256-R416 VanDerWaalsContact CD2-CA 3.48Å; H256-R416 WeakPolarHBondContact CD2-CA 3.3Å; H256-R416 PolarHBondContact CD2-N 2.68Å; V373-R416 HydrophobicContact CG2-CG 3.71Å
417	P	91.6	Very high	91.9	Very high	72 Å²	72	34.9 Å²	34.9	47%	0.468	17%	0.171	S	C	.	.			trans	-54.5	141.6	173.3	-25.6	35.4	0	0	0	111.4	H256 P257	H256-P417 HydrophobicContact CB-CB 4.42Å; H256-P417 HydrophobicContact CB-CG 4.08Å; H256-P417 VanDerWaalsContact CB-N 3.32Å; P257-P417 HydrophobicContact CG-CB 4.27Å; P257-P417 HydrophobicContact CG-CG 4.41Å; P257-P417 WeakPolarHBondContact O-CA 3.48Å
418	G	93.7	Very high	92.3	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	179.9	-173	0	0	0	0	0	113.8	P257 V258 E259 V373	P257-G418 PolarHBondContact O-N 3.11Å; P257-G418 VanDerWaalsContact O-N 3.13Å; V258-G418 VanDerWaalsContact CA-O 3.31Å; V258-G418 WeakPolarHBondContact CA-O 3.47Å; E259-G418 PolarHBondContact N-O 3.22Å; V373-G418 CarbonylContact O-C 3.3Å; V373-G418 WeakPolarHBondContact O-CA 3.4Å
419	K	96.9	Very high	92.4	Very high	39 Å²	39	35.9 Å²	35.9	17%	0.17	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	-178.9	-61.1	-178.6	174.4	167.8	0	110.2	E259 F261 E285 V373 F374 V375 F421	E259-K419 HydrophobicContact CB-CG 4.32Å; E259-K419 CarbonylContact O-C 3.54Å; E259-K419 WeakPolarHBondContact O-CA 3.43Å; F261-K419 HydrophobicContact CD2-CB 4.34Å; F261-K419 HydrophobicContact CE2-CB 3.88Å; F261-K419 HydrophobicContact CE2-CD 3.78Å; F261-K419 HydrophobicContact CE2-CG 3.83Å; F261-K419 HydrophobicContact CZ-CD 4.24Å; E285-K419 IonicContact OE1-NZ 3.48Å; E285-K419 PolarHBondContact OE1-NZ 3.46Å; E285-K419 IonicContact OE2-NZ 3.49Å; E285-K419 PolarHBondContact OE2-NZ 2.93Å; V373-K419 PolarHBondContact O-N 3.18Å; F374-K419 WeakPolarHBondContact CA-O 3.5Å; F374-K419 HydrophobicContact CD1-CB 4.16Å; F374-K419 HydrophobicContact CD1-CD 4.49Å; F374-K419 HydrophobicContact CE1-CD 4.22Å; V375-K419 PolarHBondContact N-O 3.41Å; K419-F421 HydrophobicContact CB-CE2 3.92Å; K419-F421 HydrophobicContact CB-CZ 4.18Å; K419-F421 HydrophobicContact CD-CZ 4.17Å
420	C	97.8	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.9	173	-175.3	0	0	0	0	109.8	V258 E259 I260 F261 V375 A409	V258-C420 HydrophobicContact CG1-CB 3.92Å; E259-C420 PolarHBondContact O-N 3.32Å; I260-C420 HydrophobicContact CD1-CB 3.68Å; F261-C420 PolarHBondContact N-O 2.93Å; V375-C420 HydrophobicContact CB-CB 4.35Å; V375-C420 CarbonylContact O-C 3.56Å; V375-C420 WeakPolarHBondContact O-CA 3.4Å; A409-C420 HydrophobicContact CB-CB 3.84Å
421	F	98.4	Very high	92.9	Very high	35 Å²	35	43.3 Å²	43.3	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	101.5	178.2	-59.7	-88.2	0	0	0	109.3	F261 T277 I281 F374 V375 I376 D377 K419	F261-F421 HydrophobicContact CB-CD1 3.89Å; F261-F421 HydrophobicContact CB-CE1 4.37Å; F261-F421 HydrophobicContact CD2-CD1 4.02Å; F261-F421 AromaticContact CD2-CE1 3.83Å; F261-F421 HydrophobicContact CD2-CE1 3.83Å; F261-F421 HydrophobicContact CD2-CZ 4.32Å; F261-F421 HydrophobicContact CE2-CE1 4.37Å; F261-F421 HydrophobicContact CG-CD1 4.09Å; F261-F421 HydrophobicContact CG-CE1 4.07Å; T277-F421 HydrophobicContact CG2-CB 3.94Å; T277-F421 HydrophobicContact CG2-CD1 4.49Å; T277-F421 HydrophobicContact CG2-CD2 4.49Å; T277-F421 HydrophobicContact CG2-CG 4.07Å; I281-F421 HydrophobicContact CD1-CD2 3.53Å; I281-F421 HydrophobicContact CD1-CE2 3.44Å; I281-F421 VanDerWaalsContact CD1-CE2 3.44Å; I281-F421 HydrophobicContact CD1-CG 4.38Å; I281-F421 HydrophobicContact CD1-CZ 4.24Å; I281-F421 HydrophobicContact CG1-CD2 4.23Å; I281-F421 HydrophobicContact CG1-CE2 3.69Å; I281-F421 HydrophobicContact CG1-CZ 4.02Å; F374-F421 HydrophobicContact CD1-CE2 4.09Å; V375-F421 PolarHBondContact O-N 3.43Å; I376-F421 WeakPolarHBondContact CA-O 3.47Å; D377-F421 PolarHBondContact N-O 3.43Å; K419-F421 HydrophobicContact CB-CE2 3.92Å; K419-F421 HydrophobicContact CB-CZ 4.18Å; K419-F421 HydrophobicContact CD-CZ 4.17Å
422	R	98.4	Very high	93.1	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.7	176.5	-69.8	178.3	169.5	176.7	-3.4	109.4	I260 F261 Y262 T263 D377 A405 Y424	I260-R422 HydrophobicContact CG2-CG 4.28Å; F261-R422 WeakPolarHBondContact O-CB 3.35Å; F261-R422 PolarHBondContact O-N 3.5Å; Y262-R422 HydrophobicContact CD1-CB 3.85Å; Y262-R422 HydrophobicContact CE1-CB 4.14Å; Y262-R422 HydrophobicContact CE1-CG 4.37Å; Y262-R422 PolarHBondContact OH-NH1 2.78Å; T263-R422 PolarHBondContact N-O 3.4Å; D377-R422 HydrophobicContact CB-CG 4.31Å; D377-R422 WeakPolarHBondContact O-CA 3.36Å; A405-R422 VanDerWaalsContact C-NH2 3.3Å; A405-R422 PolarHBondContact O-NH2 3.23Å; R422-Y424 HydrophobicContact CB-CD1 4.28Å; R422-Y424 HydrophobicContact CB-CD2 4.22Å; R422-Y424 HydrophobicContact CB-CE1 3.82Å; R422-Y424 HydrophobicContact CB-CE2 3.79Å; R422-Y424 HydrophobicContact CB-CG 4.46Å; R422-Y424 VanDerWaalsContact CD-OH 3.3Å; R422-Y424 WeakPolarHBondContact CD-OH 3.43Å; R422-Y424 HydrophobicContact CG-CE1 4.17Å; R422-Y424 HydrophobicContact CG-CE2 4.06Å; R422-Y424 WeakPolarHBondContact CG-OH 3.49Å; R422-Y424 PolarHBondContact NE-OH 3.02Å; R422-Y424 PolarHBondContact O-N 3.34Å
423	L	98.1	Very high	93.3	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	25%	0.249	C	C	.	.	S	Bend	trans	-84.2	39.7	-175.4	-47.9	-176.9	0	0	0	112.6	A273 A274 I376 D377 P378	A273-L423 HydrophobicContact CB-CD1 4.05Å; A274-L423 HydrophobicContact CB-CD1 3.82Å; I376-L423 HydrophobicContact CG2-CD1 3.95Å; I376-L423 HydrophobicContact CG2-CD2 4.2Å; I376-L423 HydrophobicContact CG2-CG 4.13Å; D377-L423 PolarHBondContact O-N 3.37Å; P378-L423 HydrophobicContact CB-CD1 4.37Å; P378-L423 HydrophobicContact CG-CD1 4.03Å
424	Y	97.9	Very high	93.7	Very high	17 Å²	17	55.3 Å²	55.3	7%	0.067	27%	0.27	C	S	.	.	S	Bend	trans	-151	162	180	45.6	-92.5	0	0	0	109	Y262 T263 D377 G379 A405 R422 Y429 M433	Y262-Y424 WeakPolarHBondContact CB-O 3.47Å; Y262-Y424 HydrophobicContact CD1-CD2 4.35Å; Y262-Y424 HydrophobicContact CD1-CE2 4.43Å; Y262-Y424 WeakPolarHBondContact CD1-O 3.13Å; Y262-Y424 HydrophobicContact CE1-CD2 4.46Å; Y262-Y424 HydrophobicContact CE1-CE2 4.16Å; T263-Y424 PolarHBondContact N-O 3.22Å; T263-Y424 VanDerWaalsContact OG1-C 3.26Å; T263-Y424 WeakPolarHBondContact OG1-CA 3.31Å; T263-Y424 PolarHBondContact OG1-N 3.36Å; D377-Y424 VanDerWaalsContact O-CE1 3.29Å; D377-Y424 WeakPolarHBondContact O-CE1 3.25Å; D377-Y424 PolarHBondContact OD2-OH 2.83Å; G379-Y424 VanDerWaalsContact CA-CE1 3.47Å; A405-Y424 WeakPolarHBondContact CB-OH 3.44Å; R422-Y424 HydrophobicContact CB-CD1 4.28Å; R422-Y424 HydrophobicContact CB-CD2 4.22Å; R422-Y424 HydrophobicContact CB-CE1 3.82Å; R422-Y424 HydrophobicContact CB-CE2 3.79Å; R422-Y424 HydrophobicContact CB-CG 4.46Å; R422-Y424 VanDerWaalsContact CD-OH 3.3Å; R422-Y424 WeakPolarHBondContact CD-OH 3.43Å; R422-Y424 HydrophobicContact CG-CE1 4.17Å; R422-Y424 HydrophobicContact CG-CE2 4.06Å; R422-Y424 WeakPolarHBondContact CG-OH 3.49Å; R422-Y424 PolarHBondContact NE-OH 3.02Å; R422-Y424 PolarHBondContact O-N 3.34Å; Y424-Y429 HydrophobicContact CE2-CD2 4.07Å; Y424-Y429 HydrophobicContact CE2-CG 4.47Å; Y424-M433 HydrophobicContact CD1-CE 4.01Å; Y424-M433 HydrophobicContact CD2-CE 3.75Å; Y424-M433 HydrophobicContact CE1-CE 3.79Å; Y424-M433 HydrophobicContact CE2-CE 3.48Å; Y424-M433 VanDerWaalsContact CE2-CE 3.48Å; Y424-M433 HydrophobicContact CE2-SD 3.98Å; Y424-M433 HydrophobicContact CG-CE 3.99Å; Y424-M433 VanDerWaalsContact CZ-CE 3.49Å
425	T	97.4	Very high	94.3	Very high	20 Å²	20	58.9 Å²	58.9	12%	0.123	29%	0.289	C	S	.	.			trans	-74.4	154.1	-178.1	70.1	0	0	0	0	111.6	T263 P266 K427 A428 Y429	T263-T425 WeakPolarHBondContact O-CA 3.39Å; P266-T425 HydrophobicContact CG-CG2 4.18Å; T425-K427 PolarHBondContact O-N 2.9Å; T425-A428 PolarHBondContact O-N 2.86Å; T425-A428 VanDerWaalsContact O-N 3.11Å; T425-A428 WeakPolarHBondContact OG1-CB 3.32Å; T425-A428 PolarHBondContact OG1-N 2.97Å; T425-Y429 PolarHBondContact O-N 3.33Å
426	E	97.3	Very high	94.9	Very high	122 Å²	122	59.9 Å²	59.9	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-60.1	-31.7	172.6	-173.7	173	-153.6	0	0	111.9	Y262 Y429 T430	Y262-E426 HydrophobicContact CD1-CB 4.27Å; Y262-E426 HydrophobicContact CD2-CB 3.76Å; Y262-E426 HydrophobicContact CD2-CG 4.15Å; Y262-E426 HydrophobicContact CE1-CB 4.43Å; Y262-E426 HydrophobicContact CE2-CB 3.94Å; Y262-E426 HydrophobicContact CE2-CG 3.84Å; Y262-E426 HydrophobicContact CG-CB 3.92Å; E426-Y429 PolarHBondContact O-N 2.95Å; E426-T430 WeakPolarHBondContact O-CB 3.1Å; E426-T430 PolarHBondContact O-N 2.81Å; E426-T430 PolarHBondContact O-OG1 3.05Å
427	K	96.5	Very high	95.1	Very high	144 Å²	144	56.8 Å²	56.8	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-63.9	-44.5	174.1	-172.7	-177.5	176.8	-175.4	0	111.6	T425 Y429 T430 N431	T425-K427 PolarHBondContact O-N 2.9Å; K427-Y429 VanDerWaalsContact C-N 3.35Å; K427-T430 PolarHBondContact O-N 3.49Å; K427-N431 WeakPolarHBondContact O-CB 3.28Å; K427-N431 PolarHBondContact O-N 3.42Å
428	A	96.3	Very high	95.1	Very high	12 Å²	12	59.4 Å²	59.4	10%	0.099	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-42.6	176.4	0	0	0	0	0	111	T425 T430 E432 M433	T425-A428 PolarHBondContact O-N 2.86Å; T425-A428 VanDerWaalsContact O-N 3.11Å; T425-A428 WeakPolarHBondContact OG1-CB 3.32Å; T425-A428 PolarHBondContact OG1-N 2.97Å; A428-T430 VanDerWaalsContact C-N 3.33Å; A428-T430 PolarHBondContact O-N 3.2Å; A428-E432 WeakPolarHBondContact O-CA 3.28Å; A428-E432 WeakPolarHBondContact O-CB 3.37Å; A428-E432 PolarHBondContact O-N 2.77Å; A428-M433 PolarHBondContact O-N 3.21Å; A428-M433 VanDerWaalsContact O-N 3.13Å
429	Y	96.6	Very high	95	Very high	29 Å²	29	59.8 Å²	59.8	11%	0.114	29%	0.289	C	S	.	.	H	α-helix	trans	-57.3	-45.6	173.3	177.7	-99.3	0	0	0	112.1	Y262 K402 A405 Q406 Y424 T425 E426 K427 M433	Y262-Y429 HydrophobicContact CE1-CG 4.21Å; K402-Y429 HydrophobicContact CB-CE2 4.01Å; K402-Y429 WeakPolarHBondContact CE-O 3.47Å; K402-Y429 HydrophobicContact CG-CD2 4.29Å; K402-Y429 HydrophobicContact CG-CE1 4.38Å; K402-Y429 HydrophobicContact CG-CE2 3.81Å; A405-Y429 HydrophobicContact CB-CD2 4.47Å; A405-Y429 HydrophobicContact CB-CE2 3.99Å; Q406-Y429 PolarHBondContact NE2-OH 3.29Å; Y424-Y429 HydrophobicContact CE2-CD2 4.07Å; Y424-Y429 HydrophobicContact CE2-CG 4.47Å; T425-Y429 PolarHBondContact O-N 3.33Å; E426-Y429 PolarHBondContact O-N 2.95Å; K427-Y429 VanDerWaalsContact C-N 3.35Å; Y429-M433 HydrophobicContact CD2-SD 3.78Å
430	T	95.4	Very high	94.7	Very high	69 Å²	69	60.6 Å²	60.6	42%	0.423	29%	0.293	S	S	.	.	H	α-helix	trans	-76.7	-41.9	-172.9	-54.3	0	0	0	0	112.8	K402 E426 K427 A428	K402-T430 WeakPolarHBondContact CE-O 3.4Å; K402-T430 PolarHBondContact NZ-O 3.42Å; E426-T430 WeakPolarHBondContact O-CB 3.1Å; E426-T430 PolarHBondContact O-N 2.81Å; E426-T430 PolarHBondContact O-OG1 3.05Å; K427-T430 PolarHBondContact O-N 3.49Å; A428-T430 VanDerWaalsContact C-N 3.33Å; A428-T430 PolarHBondContact O-N 3.2Å
431	N	94.4	Very high	94.5	Very high	113 Å²	113	60.7 Å²	60.7	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-107.2	-24.1	-166.9	-62.3	-18.8	0	0	0	114.5	K427	K427-N431 WeakPolarHBondContact O-CB 3.28Å; K427-N431 PolarHBondContact O-N 3.42Å
432	E	93.9	Very high	94.2	Very high	145 Å²	145	62.1 Å²	62.1	68%	0.678	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-33.7	-173.8	-59.1	174.2	-153.8	0	0	112.1	A428	A428-E432 WeakPolarHBondContact O-CA 3.28Å; A428-E432 WeakPolarHBondContact O-CB 3.37Å; A428-E432 PolarHBondContact O-N 2.77Å
433	M	94.5	Very high	93.8	Very high	19 Å²	19	63.7 Å²	63.7	9%	0.094	31%	0.308	C	S	.	.	S	Bend	trans	-78.1	134.3	176.9	-63.8	-174.1	171.3	0	0	111.9	I400 K402 Y424 A428 Y429	I400-M433 HydrophobicContact CG1-CE 4.43Å; K402-M433 WeakPolarHBondContact CE-O 3.12Å; K402-M433 HydrophobicContact CG-CB 3.99Å; Y424-M433 HydrophobicContact CD1-CE 4.01Å; Y424-M433 HydrophobicContact CD2-CE 3.75Å; Y424-M433 HydrophobicContact CE1-CE 3.79Å; Y424-M433 HydrophobicContact CE2-CE 3.48Å; Y424-M433 VanDerWaalsContact CE2-CE 3.48Å; Y424-M433 HydrophobicContact CE2-SD 3.98Å; Y424-M433 HydrophobicContact CG-CE 3.99Å; Y424-M433 VanDerWaalsContact CZ-CE 3.49Å; A428-M433 PolarHBondContact O-N 3.21Å; A428-M433 VanDerWaalsContact O-N 3.13Å; Y429-M433 HydrophobicContact CD2-SD 3.78Å
434	Q	93.2	Very high	93.3	Very high	94 Å²	94	63.2 Å²	63.2	44%	0.439	31%	0.306	S	S	.	.			trans	-69.8	151.6	173.2	-59.8	-174.6	-36.9	0	0	110.8	S401 K402 Y438	S401-Q434 CarbonylContact C-O 3.54Å; S401-Q434 VanDerWaalsContact CA-O 3.26Å; S401-Q434 WeakPolarHBondContact CA-O 3.33Å; S401-Q434 WeakPolarHBondContact CB-O 3.34Å; K402-Q434 PolarHBondContact N-O 3.1Å; Q434-Y438 PolarHBondContact NE2-OH 3.42Å
435	E	90.6	Very high	92.7	Very high	117 Å²	117	64.1 Å²	64.1	55%	0.547	31%	0.312	S	S	.	.	S	Bend	trans	-59.7	-49.5	177.4	-67	-58.2	144.7	0	0	111.8	K402 A403	K402-E435 VanDerWaalsContact CD-OE1 3.25Å; K402-E435 WeakPolarHBondContact CD-OE1 3.46Å; K402-E435 WeakPolarHBondContact CD-OE2 3.38Å; K402-E435 WeakPolarHBondContact CE-OE1 3.26Å; K402-E435 IonicContact NZ-OE1 3.18Å; K402-E435 PolarHBondContact NZ-OE1 3.47Å; A403-E435 WeakPolarHBondContact CB-O 3.32Å; A403-E435 PolarHBondContact N-O 3.01Å
436	N	88.5	Confident	92.5	Very high	75 Å²	75	63.3 Å²	63.3	40%	0.401	31%	0.307	S	S	.	.	S	Bend	trans	-126	151	-177.8	-69.6	-39.4	0	0	0	111.1	D235	D235-N436 PolarHBondContact OD2-ND2 3.39Å
437	T	89.2	Confident	92.2	Very high	46 Å²	46	57.5 Å²	57.5	28%	0.282	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-69.4	133.5	169.7	-54.1	0	0	0	0	108.8	S401	S401-T437 VanDerWaalsContact CB-N 3.3Å; S401-T437 PolarHBondContact OG-N 2.88Å; S401-T437 PolarHBondContact OG-OG1 3.25Å
438	Y	91.1	Very high	91.9	Very high	127 Å²	127	52.5 Å²	52.5	50%	0.498	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-56.7	135.1	174.1	-74.9	-71.4	0	0	0	111	Q434 L442 R443	Q434-Y438 PolarHBondContact NE2-OH 3.42Å; Y438-L442 HydrophobicContact CD1-CD1 4.26Å; Y438-R443 PolarHBondContact O-NE 3.31Å; Y438-R443 VanDerWaalsContact O-NE 3.1Å; Y438-R443 PolarHBondContact O-NH2 3.05Å
439	P	92.1	Very high	91.7	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.091	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-49.6	143.9	172.7	-29.1	35.7	0	0	0	112.5	R204 I441 L442 D468	R204-P439 HydrophobicContact CB-CB 4.06Å; R204-P439 HydrophobicContact CB-CG 4.36Å; P439-I441 HydrophobicContact CB-CG2 4.02Å; P439-I441 PolarHBondContact O-N 2.91Å; P439-L442 HydrophobicContact CB-CG 4.46Å; P439-L442 HydrophobicContact CG-CD1 4.49Å; P439-L442 PolarHBondContact O-N 3.46Å; P439-L442 VanDerWaalsContact O-N 3.14Å; P439-D468 HydrophobicContact CG-CB 4.21Å
440	E	91.3	Very high	91.5	Very high	56 Å²	56	51 Å²	51	26%	0.262	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-63.8	-29	-175.2	-176.4	175.5	-157	0	0	112.7	R204 T205 L206 L442 R443 S444	R204-E440 WeakPolarHBondContact O-CB 3.36Å; R204-E440 PolarHBondContact O-N 3.32Å; T205-E440 VanDerWaalsContact CA-OE2 3.25Å; T205-E440 WeakPolarHBondContact CA-OE2 3.39Å; T205-E440 WeakPolarHBondContact CB-OE2 3.38Å; L206-E440 HydrophobicContact CB-CG 4.18Å; L206-E440 PolarHBondContact N-OE2 3.46Å; E440-L442 PolarHBondContact O-N 2.98Å; E440-R443 PolarHBondContact O-N 2.95Å; E440-S444 WeakPolarHBondContact CG-OG 3.38Å; E440-S444 WeakPolarHBondContact O-CB 3.22Å; E440-S444 PolarHBondContact O-N 2.91Å; E440-S444 PolarHBondContact O-OG 3.29Å
441	I	92.5	Very high	91.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-59.1	-28.7	175.4	-166.3	169.3	0	0	0	113.6	L206 I210 P439 R443 L446 F466 D468 P470	L206-I441 HydrophobicContact CD1-CB 3.76Å; L206-I441 HydrophobicContact CD1-CD1 4.36Å; L206-I441 HydrophobicContact CD1-CG1 3.76Å; I210-I441 HydrophobicContact CD1-CD1 4.38Å; P439-I441 HydrophobicContact CB-CG2 4.02Å; P439-I441 PolarHBondContact O-N 2.91Å; I441-R443 VanDerWaalsContact C-N 3.29Å; I441-R443 PolarHBondContact O-N 3.27Å; I441-L446 HydrophobicContact CG1-CD2 3.94Å; I441-F466 HydrophobicContact CD1-CD1 3.42Å; I441-F466 VanDerWaalsContact CD1-CD1 3.42Å; I441-F466 HydrophobicContact CD1-CE1 3.65Å; I441-F466 HydrophobicContact CD1-CG 4.2Å; I441-D468 WeakPolarHBondContact CG2-O 3.28Å; I441-P470 HydrophobicContact CG1-CB 4.31Å
442	L	92.1	Very high	91.2	Very high	65 Å²	65	44.1 Å²	44.1	34%	0.34	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-81.5	-8.9	178.5	-56.6	-176.3	0	0	0	113.2	Y438 P439 E440 P469	Y438-L442 HydrophobicContact CD1-CD1 4.26Å; P439-L442 HydrophobicContact CB-CG 4.46Å; P439-L442 HydrophobicContact CG-CD1 4.49Å; P439-L442 PolarHBondContact O-N 3.46Å; P439-L442 VanDerWaalsContact O-N 3.14Å; E440-L442 PolarHBondContact O-N 2.98Å; L442-P469 VanDerWaalsContact CD2-O 3.26Å; L442-P469 WeakPolarHBondContact CD2-O 3.42Å
443	R	90	Very high	91	Very high	41 Å²	41	37.3 Å²	37.3	16%	0.155	18%	0.182	C	C	.	.	S	Bend	trans	-131.1	10.2	-169.8	-60.4	-177.4	-72.3	99.3	-1.6	113.9	K384 V385 Y386 Y438 E440 I441	K384-R443 WeakPolarHBondContact O-CB 3.28Å; K384-R443 PolarHBondContact O-NH1 2.87Å; V385-R443 CarbonylContact C-O 3.51Å; V385-R443 WeakPolarHBondContact CA-O 3.34Å; Y386-R443 WeakPolarHBondContact CB-O 3.1Å; Y386-R443 PolarHBondContact N-O 3.13Å; Y438-R443 PolarHBondContact O-NE 3.31Å; Y438-R443 VanDerWaalsContact O-NE 3.1Å; Y438-R443 PolarHBondContact O-NH2 3.05Å; E440-R443 PolarHBondContact O-N 2.95Å; I441-R443 VanDerWaalsContact C-N 3.29Å; I441-R443 PolarHBondContact O-N 3.27Å
444	S	88.2	Confident	90.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	18%	0.181	C	C	.	.	S	Bend	trans	-123.3	156.5	-174.7	-58.5	0	0	0	0	112.2	E440 L446	E440-S444 WeakPolarHBondContact CG-OG 3.38Å; E440-S444 WeakPolarHBondContact O-CB 3.22Å; E440-S444 PolarHBondContact O-N 2.91Å; E440-S444 PolarHBondContact O-OG 3.29Å; S444-L446 PolarHBondContact O-N 3.1Å
445	N	86.5	Confident	90.8	Very high	36 Å²	36	35 Å²	35	19%	0.193	17%	0.17	C	C	.	.			trans	-69	128.7	166.2	-173.7	-19.5	0	0	0	109.8	Y386 E393 G447	Y386-N445 HydrophobicContact CD1-CB 4.5Å; Y386-N445 HydrophobicContact CD2-CB 3.87Å; Y386-N445 HydrophobicContact CE2-CB 3.93Å; Y386-N445 HydrophobicContact CG-CB 4.16Å; E393-N445 PolarHBondContact OE1-N 3Å; E393-N445 VanDerWaalsContact OE1-N 3.07Å; N445-G447 PolarHBondContact OD1-N 3.07Å
446	L	91.8	Very high	90.6	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	15%	0.15	C	C	.	.			trans	-95.3	3.6	-175.2	-55.9	178	0	0	0	113.8	L206 I441 S444 T448 V449 V450 P470 T474 A478	L206-L446 HydrophobicContact CD1-CD2 3.83Å; I441-L446 HydrophobicContact CG1-CD2 3.94Å; S444-L446 PolarHBondContact O-N 3.1Å; L446-T448 PolarHBondContact O-N 3.46Å; L446-V449 WeakPolarHBondContact O-CB 3.36Å; L446-V449 PolarHBondContact O-N 3.49Å; L446-V450 HydrophobicContact CB-CG2 4.26Å; L446-V450 WeakPolarHBondContact O-CG2 3.5Å; L446-V450 PolarHBondContact O-N 3.48Å; L446-P470 HydrophobicContact CD1-CB 3.42Å; L446-P470 VanDerWaalsContact CD1-CB 3.42Å; L446-P470 HydrophobicContact CD1-CG 3.66Å; L446-T474 HydrophobicContact CD1-CG2 3.69Å; L446-T474 HydrophobicContact CG-CG2 3.8Å; L446-A478 HydrophobicContact CB-CB 3.92Å
447	G	92	Very high	90.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-52	-48.9	-177.2	0	0	0	0	0	113.5	N445 V449 L451	N445-G447 PolarHBondContact OD1-N 3.07Å; G447-V449 VanDerWaalsContact C-N 3.35Å; G447-V449 PolarHBondContact O-N 2.65Å; G447-L451 WeakPolarHBondContact O-CB 3.3Å; G447-L451 PolarHBondContact O-N 2.99Å
448	T	90.6	Very high	90.5	Very high	39 Å²	39	28.9 Å²	28.9	24%	0.239	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-41.1	176.1	-50.8	0	0	0	0	111.7	L446 L451 Q452 P508	L446-T448 PolarHBondContact O-N 3.46Å; T448-L451 PolarHBondContact O-N 3.39Å; T448-Q452 WeakPolarHBondContact O-CB 3.31Å; T448-Q452 WeakPolarHBondContact O-CG 3.18Å; T448-Q452 PolarHBondContact O-N 2.88Å; T448-P508 VanDerWaalsContact OG1-CD 3.25Å; T448-P508 WeakPolarHBondContact OG1-CD 3.35Å
449	V	90.1	Very high	90.3	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-46.4	-178.6	165.7	0	0	0	0	112.1	L206 I210 L446 G447 L451 Q452 L453	L206-V449 HydrophobicContact CD1-CG2 3.83Å; L206-V449 HydrophobicContact CD2-CG2 3.4Å; L206-V449 VanDerWaalsContact CD2-CG2 3.4Å; L206-V449 HydrophobicContact CG-CG2 3.49Å; L206-V449 VanDerWaalsContact CG-CG2 3.49Å; I210-V449 HydrophobicContact CD1-CG1 3.45Å; I210-V449 VanDerWaalsContact CD1-CG1 3.45Å; I210-V449 HydrophobicContact CG1-CG1 3.76Å; I210-V449 HydrophobicContact CG1-CG2 4.35Å; L446-V449 WeakPolarHBondContact O-CB 3.36Å; L446-V449 PolarHBondContact O-N 3.49Å; G447-V449 VanDerWaalsContact C-N 3.35Å; G447-V449 PolarHBondContact O-N 2.65Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 3.49Å; V449-Q452 WeakPolarHBondContact O-CB 3.44Å; V449-Q452 PolarHBondContact O-N 3.01Å; V449-Q452 VanDerWaalsContact O-N 3.15Å; V449-L453 HydrophobicContact CG1-CD1 3.79Å; V449-L453 HydrophobicContact CG1-CG 4.21Å; V449-L453 WeakPolarHBondContact O-CB 3.39Å; V449-L453 WeakPolarHBondContact O-CG 3.44Å; V449-L453 PolarHBondContact O-N 2.86Å
450	V	93.3	Very high	90.1	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-43.4	178.3	169.5	0	0	0	0	110.4	L446 Q452 L453 K454 L461 L475 A478 L479 L482 L488	L446-V450 HydrophobicContact CB-CG2 4.26Å; L446-V450 WeakPolarHBondContact O-CG2 3.5Å; L446-V450 PolarHBondContact O-N 3.48Å; V450-Q452 VanDerWaalsContact C-N 3.31Å; V450-Q452 PolarHBondContact O-N 3.27Å; V450-L453 PolarHBondContact O-N 3.25Å; V450-K454 WeakPolarHBondContact O-CB 3.39Å; V450-K454 WeakPolarHBondContact O-CG 3.16Å; V450-K454 PolarHBondContact O-N 3.21Å; V450-L461 HydrophobicContact CB-CD1 4.48Å; V450-L461 HydrophobicContact CG1-CD1 3.59Å; V450-L461 HydrophobicContact CG2-CD1 4.37Å; V450-L475 HydrophobicContact CG2-CD1 3.62Å; V450-A478 HydrophobicContact CB-CB 4.34Å; V450-A478 HydrophobicContact CG2-CB 3.72Å; V450-L479 HydrophobicContact CG1-CD2 3.85Å; V450-L479 HydrophobicContact CG1-CG 4.5Å; V450-L482 HydrophobicContact CB-CD1 3.8Å; V450-L482 HydrophobicContact CG1-CD1 3.47Å; V450-L482 VanDerWaalsContact CG1-CD1 3.47Å; V450-L488 HydrophobicContact CG1-CD1 4.47Å
451	L	93.7	Very high	90	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-42.4	176.5	-176.2	60.1	0	0	0	111.9	G447 T448 V449 K455 L482 A487 L494 M501 A502 P508	G447-L451 WeakPolarHBondContact O-CB 3.3Å; G447-L451 PolarHBondContact O-N 2.99Å; T448-L451 PolarHBondContact O-N 3.39Å; V449-L451 VanDerWaalsContact C-N 3.28Å; V449-L451 PolarHBondContact O-N 3.49Å; L451-K455 WeakPolarHBondContact O-CB 3.45Å; L451-K455 PolarHBondContact O-N 3.01Å; L451-L482 HydrophobicContact CB-CD1 4Å; L451-L482 HydrophobicContact CB-CD2 4.03Å; L451-L482 HydrophobicContact CD1-CD2 4.36Å; L451-L482 HydrophobicContact CD2-CD2 4.34Å; L451-L482 HydrophobicContact CG-CD2 4.49Å; L451-A487 HydrophobicContact CD1-CB 4.19Å; L451-L494 HydrophobicContact CD1-CD1 3.66Å; L451-M501 HydrophobicContact CD2-CB 4.05Å; L451-A502 HydrophobicContact CD1-CB 4.38Å; L451-A502 HydrophobicContact CD2-CB 4.29Å; L451-A502 HydrophobicContact CG-CB 3.93Å; L451-P508 HydrophobicContact CD2-CB 4.46Å; L451-P508 HydrophobicContact CD2-CG 4.14Å
452	Q	89	Confident	89.7	Confident	30 Å²	30	33.8 Å²	33.8	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-43.2	178.3	-71.2	-179.9	-12.7	0	0	112.7	L181 M185 T448 V449 V450 K455 L456	L181-Q452 VanDerWaalsContact CD2-OE1 3.3Å; M185-Q452 HydrophobicContact CE-CB 3.67Å; M185-Q452 HydrophobicContact CE-CG 3.24Å; M185-Q452 HydrophobicContact SD-CG 4.37Å; T448-Q452 WeakPolarHBondContact O-CB 3.31Å; T448-Q452 WeakPolarHBondContact O-CG 3.18Å; T448-Q452 PolarHBondContact O-N 2.88Å; V449-Q452 WeakPolarHBondContact O-CB 3.44Å; V449-Q452 PolarHBondContact O-N 3.01Å; V449-Q452 VanDerWaalsContact O-N 3.15Å; V450-Q452 VanDerWaalsContact C-N 3.31Å; V450-Q452 PolarHBondContact O-N 3.27Å; Q452-K455 PolarHBondContact O-N 2.71Å; Q452-L456 WeakPolarHBondContact O-CG 3.46Å; Q452-L456 PolarHBondContact O-N 3.24Å
453	L	90.8	Very high	89.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-45.4	175.5	-72.6	172.6	0	0	0	111.2	I210 V449 V450 K455 L456 G457 I458 L461 F464 F466	I210-L453 HydrophobicContact CD1-CD1 4.23Å; I210-L453 HydrophobicContact CD1-CD2 4.47Å; I210-L453 HydrophobicContact CG2-CD2 3.78Å; I210-L453 HydrophobicContact CG2-CG 4.48Å; V449-L453 HydrophobicContact CG1-CD1 3.79Å; V449-L453 HydrophobicContact CG1-CG 4.21Å; V449-L453 WeakPolarHBondContact O-CB 3.39Å; V449-L453 WeakPolarHBondContact O-CG 3.44Å; V449-L453 PolarHBondContact O-N 2.86Å; V450-L453 PolarHBondContact O-N 3.25Å; L453-K455 VanDerWaalsContact C-N 3.33Å; L453-K455 PolarHBondContact O-N 3.32Å; L453-L456 WeakPolarHBondContact O-CB 3.44Å; L453-L456 PolarHBondContact O-N 3.46Å; L453-L456 VanDerWaalsContact O-N 3.1Å; L453-G457 PolarHBondContact O-N 3.28Å; L453-I458 HydrophobicContact CB-CB 4.32Å; L453-I458 HydrophobicContact CB-CD1 4.48Å; L453-I458 HydrophobicContact CD2-CD1 3.51Å; L453-I458 WeakPolarHBondContact O-CB 3.32Å; L453-I458 PolarHBondContact O-N 2.79Å; L453-L461 HydrophobicContact CB-CD2 3.61Å; L453-L461 HydrophobicContact CD1-CD2 3.71Å; L453-L461 HydrophobicContact CG-CD2 4.31Å; L453-F464 HydrophobicContact CD2-CE1 4.3Å; L453-F464 HydrophobicContact CD2-CE2 4.28Å; L453-F464 HydrophobicContact CD2-CZ 4.03Å; L453-F466 HydrophobicContact CD1-CE1 4.27Å; L453-F466 HydrophobicContact CD1-CZ 4Å
454	K	92	Very high	89.5	Confident	17 Å²	17	37 Å²	37	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-41.4	175.6	-76.5	-80.2	169.5	174.6	0	111.9	V450 L456 G457 D459 L461 L488 G492 L494	V450-K454 WeakPolarHBondContact O-CB 3.39Å; V450-K454 WeakPolarHBondContact O-CG 3.16Å; V450-K454 PolarHBondContact O-N 3.21Å; K454-L456 VanDerWaalsContact C-N 3.28Å; K454-L456 PolarHBondContact O-N 2.65Å; K454-G457 PolarHBondContact O-N 3.27Å; K454-D459 WeakPolarHBondContact CE-O 3.37Å; K454-D459 PolarHBondContact NZ-O 3.04Å; K454-D459 IonicContact NZ-OD1 2.73Å; K454-D459 PolarHBondContact NZ-OD1 3.24Å; K454-L461 HydrophobicContact CG-CD1 4.36Å; K454-L488 HydrophobicContact CB-CD2 4.45Å; K454-L488 HydrophobicContact CD-CD2 4.33Å; K454-L488 HydrophobicContact CG-CD2 4.12Å; K454-G492 VanDerWaalsContact CE-O 3.31Å; K454-G492 WeakPolarHBondContact CE-O 3.33Å; K454-G492 PolarHBondContact NZ-O 3.41Å; K454-L494 HydrophobicContact CB-CB 4.46Å; K454-L494 HydrophobicContact CB-CD1 4.23Å
455	K	90.6	Very high	89.7	Confident	48 Å²	48	40.3 Å²	40.3	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-32.1	174	-179.6	63.2	175	-162.4	0	113.2	M185 L451 Q452 L453 G457 L494 S499 A502 E503	M185-K455 HydrophobicContact CB-CG 4.4Å; M185-K455 HydrophobicContact CG-CG 4.41Å; L451-K455 WeakPolarHBondContact O-CB 3.45Å; L451-K455 PolarHBondContact O-N 3.01Å; Q452-K455 PolarHBondContact O-N 2.71Å; L453-K455 VanDerWaalsContact C-N 3.33Å; L453-K455 PolarHBondContact O-N 3.32Å; K455-G457 PolarHBondContact O-N 3.08Å; K455-L494 HydrophobicContact CB-CD2 4.17Å; K455-L494 HydrophobicContact CD-CD2 4.04Å; K455-S499 PolarHBondContact NZ-O 3.16Å; K455-S499 PolarHBondContact NZ-OG 3.41Å; K455-A502 HydrophobicContact CB-CB 3.88Å; K455-A502 HydrophobicContact CD-CB 4.26Å; K455-A502 HydrophobicContact CG-CB 3.89Å; K455-E503 WeakPolarHBondContact CE-OE1 3.26Å; K455-E503 IonicContact NZ-OE1 2.67Å; K455-E503 PolarHBondContact NZ-OE1 2.74Å
456	L	87	Confident	89.9	Confident	26 Å²	26	39.5 Å²	39.5	14%	0.136	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.6	174	-70.4	165.1	0	0	0	113.4	L181 G184 M185 L214 Q452 L453 K454 I458	L181-L456 HydrophobicContact CD1-CD1 3.92Å; G184-L456 VanDerWaalsContact C-CD2 3.42Å; G184-L456 WeakPolarHBondContact O-CD2 3.2Å; M185-L456 HydrophobicContact CG-CD2 4.36Å; L214-L456 HydrophobicContact CD1-CD1 4.24Å; L214-L456 HydrophobicContact CD2-CD1 4.01Å; L214-L456 HydrophobicContact CD2-CD2 4.36Å; Q452-L456 WeakPolarHBondContact O-CG 3.46Å; Q452-L456 PolarHBondContact O-N 3.24Å; L453-L456 WeakPolarHBondContact O-CB 3.44Å; L453-L456 PolarHBondContact O-N 3.46Å; L453-L456 VanDerWaalsContact O-N 3.1Å; K454-L456 VanDerWaalsContact C-N 3.28Å; K454-L456 PolarHBondContact O-N 2.65Å; L456-I458 HydrophobicContact CB-CD1 4.29Å
457	G	87	Confident	89.9	Confident	55 Å²	55	40.1 Å²	40.1	57%	0.567	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	18.9	-178.5	0	0	0	0	0	114	L453 K454 K455 D459	L453-G457 PolarHBondContact O-N 3.28Å; K454-G457 PolarHBondContact O-N 3.27Å; K455-G457 PolarHBondContact O-N 3.08Å; G457-D459 PolarHBondContact O-N 2.8Å
458	I	88.3	Confident	89.9	Confident	29 Å²	29	41.6 Å²	41.6	15%	0.149	23%	0.229	C	C	.	.			trans	-91.6	99.3	176.6	-60	163.2	0	0	0	108.4	L453 L456 L461 F464	L453-I458 HydrophobicContact CB-CB 4.32Å; L453-I458 HydrophobicContact CB-CD1 4.48Å; L453-I458 HydrophobicContact CD2-CD1 3.51Å; L453-I458 WeakPolarHBondContact O-CB 3.32Å; L453-I458 PolarHBondContact O-N 2.79Å; L456-I458 HydrophobicContact CB-CD1 4.29Å; I458-L461 HydrophobicContact CG2-CD2 4.19Å; I458-F464 HydrophobicContact CD1-CD2 3.95Å; I458-F464 HydrophobicContact CD1-CE2 3.51Å; I458-F464 HydrophobicContact CD1-CZ 4.3Å; I458-F464 HydrophobicContact CG1-CD2 4.47Å; I458-F464 HydrophobicContact CG1-CE2 4.42Å; I458-F464 HydrophobicContact CG2-CB 4.31Å; I458-F464 HydrophobicContact CG2-CD2 3.63Å; I458-F464 HydrophobicContact CG2-CE2 4.35Å; I458-F464 HydrophobicContact CG2-CG 4.25Å
459	D	87.2	Confident	90	Very high	100 Å²	100	44 Å²	44	54%	0.535	25%	0.245	S	C	.	.			trans	-84.2	-41.8	-177.7	-73.5	-45.1	0	0	0	113.6	K454 G457 L461	K454-D459 WeakPolarHBondContact CE-O 3.37Å; K454-D459 PolarHBondContact NZ-O 3.04Å; K454-D459 IonicContact NZ-OD1 2.73Å; K454-D459 PolarHBondContact NZ-OD1 3.24Å; G457-D459 PolarHBondContact O-N 2.8Å; D459-L461 PolarHBondContact O-N 3.34Å
460	D	88	Confident	90.1	Very high	85 Å²	85	44.1 Å²	44.1	46%	0.455	25%	0.246	S	C	.	.			trans	-87.8	82.8	-179.9	-168.4	-12.3	0	0	0	111	V462 H463 F464	D460-V462 PolarHBondContact O-N 2.73Å; D460-V462 PolarHBondContact OD1-N 3.03Å; D460-H463 IonicContact OD1-CG 3.9Å; D460-H463 PolarHBondContact OD1-N 3.21Å; D460-H463 IonicContact OD1-ND1 2.77Å; D460-H463 PolarHBondContact OD1-ND1 3.35Å; D460-H463 IonicContact OD2-CE1 2.93Å; D460-H463 IonicContact OD2-CG 3.68Å; D460-H463 IonicContact OD2-ND1 3.69Å; D460-H463 PolarHBondContact OD2-ND1 2.9Å; D460-F464 PolarHBondContact O-N 3.37Å; D460-F464 VanDerWaalsContact O-N 3.08Å
461	L	88.7	Confident	90	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	27%	0.266	C	S	.	.	S	Bend	trans	-71.6	-18.2	178.6	-58.8	169.6	0	0	0	112.9	V450 L453 K454 I458 D459 L475 L479	V450-L461 HydrophobicContact CB-CD1 4.48Å; V450-L461 HydrophobicContact CG1-CD1 3.59Å; V450-L461 HydrophobicContact CG2-CD1 4.37Å; L453-L461 HydrophobicContact CB-CD2 3.61Å; L453-L461 HydrophobicContact CD1-CD2 3.71Å; L453-L461 HydrophobicContact CG-CD2 4.31Å; K454-L461 HydrophobicContact CG-CD1 4.36Å; I458-L461 HydrophobicContact CG2-CD2 4.19Å; D459-L461 PolarHBondContact O-N 3.34Å; L461-L475 HydrophobicContact CB-CD1 4.23Å; L461-L475 HydrophobicContact CB-CD2 4.15Å; L461-L475 HydrophobicContact CD1-CD1 4.37Å; L461-L479 HydrophobicContact CD1-CD2 3.94Å
462	V	87.8	Confident	89.9	Confident	108 Å²	108	51.1 Å²	51.1	66%	0.655	30%	0.296	S	S	*	.	S	Bend	trans	-77.9	-40.9	-179.1	176.9	0	0	0	0	110.1	D460 L475	D460-V462 PolarHBondContact O-N 2.73Å; D460-V462 PolarHBondContact OD1-N 3.03Å; V462-L475 HydrophobicContact CG2-CD2 4.27Å
463	H	87.5	Confident	90	Very high	146 Å²	146	53.1 Å²	53.1	68%	0.676	31%	0.306	S	S	*	.	S	Bend	trans	-97.9	7	178	-54	98.3	0	0	0	113.5	D460 D465	D460-H463 IonicContact OD1-CG 3.9Å; D460-H463 PolarHBondContact OD1-N 3.21Å; D460-H463 IonicContact OD1-ND1 2.77Å; D460-H463 PolarHBondContact OD1-ND1 3.35Å; D460-H463 IonicContact OD2-CE1 2.93Å; D460-H463 IonicContact OD2-CG 3.68Å; D460-H463 IonicContact OD2-ND1 3.69Å; D460-H463 PolarHBondContact OD2-ND1 2.9Å; H463-D465 PolarHBondContact O-N 3.05Å
464	F	90	Very high	90.1	Very high	26 Å²	26	53.5 Å²	53.5	11%	0.114	31%	0.308	C	S	.	.	S	Bend	trans	-58.7	132.5	169.8	-177.9	-99.2	0	0	0	109.7	L453 I458 D460 F466	L453-F464 HydrophobicContact CD2-CE1 4.3Å; L453-F464 HydrophobicContact CD2-CE2 4.28Å; L453-F464 HydrophobicContact CD2-CZ 4.03Å; I458-F464 HydrophobicContact CD1-CD2 3.95Å; I458-F464 HydrophobicContact CD1-CE2 3.51Å; I458-F464 HydrophobicContact CD1-CZ 4.3Å; I458-F464 HydrophobicContact CG1-CD2 4.47Å; I458-F464 HydrophobicContact CG1-CE2 4.42Å; I458-F464 HydrophobicContact CG2-CB 4.31Å; I458-F464 HydrophobicContact CG2-CD2 3.63Å; I458-F464 HydrophobicContact CG2-CE2 4.35Å; I458-F464 HydrophobicContact CG2-CG 4.25Å; D460-F464 PolarHBondContact O-N 3.37Å; D460-F464 VanDerWaalsContact O-N 3.08Å; F464-F466 HydrophobicContact CB-CD2 4.3Å; F464-F466 HydrophobicContact CB-CE2 3.86Å; F464-F466 HydrophobicContact CB-CZ 4.22Å; F464-F466 AromaticContact CD1-CD1 3.53Å; F464-F466 HydrophobicContact CD1-CD1 3.53Å; F464-F466 AromaticContact CD1-CD2 3.76Å; F464-F466 HydrophobicContact CD1-CD2 3.76Å; F464-F466 AromaticContact CD1-CE1 3.35Å; F464-F466 HydrophobicContact CD1-CE1 3.35Å; F464-F466 AromaticContact CD1-CE2 3.59Å; F464-F466 HydrophobicContact CD1-CE2 3.59Å; F464-F466 AromaticContact CD1-CG 3.73Å; F464-F466 HydrophobicContact CD1-CG 3.73Å; F464-F466 AromaticContact CD1-CZ 3.38Å; F464-F466 HydrophobicContact CD1-CZ 3.38Å; F464-F466 AromaticContact CE1-CD1 3.71Å; F464-F466 HydrophobicContact CE1-CD1 3.71Å; F464-F466 AromaticContact CE1-CE1 3.62Å; F464-F466 HydrophobicContact CE1-CE1 3.62Å; F464-F466 HydrophobicContact CE1-CG 4.27Å; F464-F466 HydrophobicContact CE1-CZ 4.12Å; F464-F466 HydrophobicContact CG-CE1 4.49Å; F464-F466 HydrophobicContact CG-CE2 4.2Å; F464-F466 HydrophobicContact CG-CZ 4.17Å; F464-F466 VanDerWaalsContact O-CD2 3.25Å; F464-F466 WeakPolarHBondContact O-CD2 3.22Å; F464-F466 PolarHBondContact O-N 3.37Å
465	D	91.4	Very high	90.1	Very high	72 Å²	72	53.4 Å²	53.4	39%	0.385	31%	0.308	S	S	.	.			trans	-78	66.2	-169.2	-169.7	8.9	0	0	0	111.3	K216 Y242 H463	K216-D465 VanDerWaalsContact CD-OD2 3.3Å; K216-D465 WeakPolarHBondContact CD-OD2 3.13Å; K216-D465 WeakPolarHBondContact CE-OD2 3.16Å; K216-D465 IonicContact NZ-OD1 3.42Å; K216-D465 IonicContact NZ-OD2 2.7Å; K216-D465 PolarHBondContact NZ-OD2 2.98Å; Y242-D465 VanDerWaalsContact CE2-O 3.3Å; Y242-D465 WeakPolarHBondContact CE2-O 3.05Å; Y242-D465 VanDerWaalsContact CZ-O 3.31Å; Y242-D465 PolarHBondContact OH-O 3.18Å; H463-D465 PolarHBondContact O-N 3.05Å
466	F	91.9	Very high	90.1	Very high	18 Å²	18	57.5 Å²	57.5	8%	0.079	33%	0.33	C	S	.	.			trans	-68.1	139.6	172.2	-61.3	-76.5	0	0	0	110.3	I210 I441 L453 F464 D468 P469 P470	I210-F466 HydrophobicContact CD1-CD1 4.13Å; I210-F466 HydrophobicContact CD1-CE1 3.5Å; I441-F466 HydrophobicContact CD1-CD1 3.42Å; I441-F466 VanDerWaalsContact CD1-CD1 3.42Å; I441-F466 HydrophobicContact CD1-CE1 3.65Å; I441-F466 HydrophobicContact CD1-CG 4.2Å; L453-F466 HydrophobicContact CD1-CE1 4.27Å; L453-F466 HydrophobicContact CD1-CZ 4Å; F464-F466 HydrophobicContact CB-CD2 4.3Å; F464-F466 HydrophobicContact CB-CE2 3.86Å; F464-F466 HydrophobicContact CB-CZ 4.22Å; F464-F466 AromaticContact CD1-CD1 3.53Å; F464-F466 HydrophobicContact CD1-CD1 3.53Å; F464-F466 AromaticContact CD1-CD2 3.76Å; F464-F466 HydrophobicContact CD1-CD2 3.76Å; F464-F466 AromaticContact CD1-CE1 3.35Å; F464-F466 HydrophobicContact CD1-CE1 3.35Å; F464-F466 AromaticContact CD1-CE2 3.59Å; F464-F466 HydrophobicContact CD1-CE2 3.59Å; F464-F466 AromaticContact CD1-CG 3.73Å; F464-F466 HydrophobicContact CD1-CG 3.73Å; F464-F466 AromaticContact CD1-CZ 3.38Å; F464-F466 HydrophobicContact CD1-CZ 3.38Å; F464-F466 AromaticContact CE1-CD1 3.71Å; F464-F466 HydrophobicContact CE1-CD1 3.71Å; F464-F466 AromaticContact CE1-CE1 3.62Å; F464-F466 HydrophobicContact CE1-CE1 3.62Å; F464-F466 HydrophobicContact CE1-CG 4.27Å; F464-F466 HydrophobicContact CE1-CZ 4.12Å; F464-F466 HydrophobicContact CG-CE1 4.49Å; F464-F466 HydrophobicContact CG-CE2 4.2Å; F464-F466 HydrophobicContact CG-CZ 4.17Å; F464-F466 VanDerWaalsContact O-CD2 3.25Å; F464-F466 WeakPolarHBondContact O-CD2 3.22Å; F464-F466 PolarHBondContact O-N 3.37Å; F466-D468 VanDerWaalsContact C-N 3.26Å; F466-D468 PolarHBondContact O-N 3.36Å; F466-P469 HydrophobicContact CB-CB 4.21Å; F466-P469 HydrophobicContact CD2-CB 4.29Å; F466-P470 HydrophobicContact CE2-CG 4.44Å
467	M	91.4	Very high	90.3	Very high	17 Å²	17	59.5 Å²	59.5	8%	0.084	34%	0.336	C	S	.	.	S	Bend	trans	-61.7	-37.4	171.7	-179	177.6	-69.4	0	0	112.4	R204 M212 K238 F239 Y242	R204-M467 VanDerWaalsContact CZ-SD 3.54Å; M212-M467 HydrophobicContact CE-CB 4.46Å; M212-M467 HydrophobicContact CE-CE 3.72Å; M212-M467 HydrophobicContact CE-SD 3.97Å; M212-M467 HydrophobicContact SD-CE 3.5Å; M212-M467 WeakPolarHBondContact SD-CE 3.44Å; M212-M467 HydrophobicContact SD-SD 4.45Å; K238-M467 HydrophobicContact CD-CG 4.28Å; K238-M467 HydrophobicContact CD-SD 4.2Å; K238-M467 HydrophobicContact CG-CG 4.31Å; K238-M467 HydrophobicContact CG-SD 4.18Å; F239-M467 HydrophobicContact CD1-CE 3.56Å; F239-M467 HydrophobicContact CD1-SD 4.22Å; F239-M467 HydrophobicContact CE1-CE 3.9Å; F239-M467 HydrophobicContact CE1-SD 4.06Å; F239-M467 HydrophobicContact CG-CE 4.36Å; Y242-M467 HydrophobicContact CD1-CE 3.65Å; Y242-M467 HydrophobicContact CD2-CB 3.91Å; Y242-M467 HydrophobicContact CD2-CE 4.26Å; Y242-M467 HydrophobicContact CD2-CG 4.22Å; Y242-M467 HydrophobicContact CE1-CE 4.36Å; Y242-M467 HydrophobicContact CE2-CB 3.93Å; Y242-M467 HydrophobicContact CG-CB 4.36Å; Y242-M467 HydrophobicContact CG-CE 3.57Å; Y242-M467 HydrophobicContact CG-CG 4.4Å
468	D	91.9	Very high	90.6	Very high	32 Å²	32	56.9 Å²	56.9	17%	0.171	31%	0.309	C	S	.	.	S	Bend	trans	-133.9	101.7	168.9	-72.4	-73.3	0	0	0	107.8	R204 K238 P439 I441 F466	R204-D468 IonicContact CZ-OD2 2.92Å; R204-D468 IonicContact NH1-OD2 3.99Å; R204-D468 PolarHBondContact NH1-OD2 3.42Å; R204-D468 IonicContact NH2-OD2 3.45Å; R204-D468 PolarHBondContact NH2-OD2 2.79Å; K238-D468 WeakPolarHBondContact CE-OD2 3.36Å; K238-D468 IonicContact NZ-OD1 3.53Å; K238-D468 PolarHBondContact NZ-OD1 2.92Å; K238-D468 IonicContact NZ-OD2 3.31Å; K238-D468 PolarHBondContact NZ-OD2 2.59Å; P439-D468 HydrophobicContact CG-CB 4.21Å; I441-D468 WeakPolarHBondContact CG2-O 3.28Å; F466-D468 VanDerWaalsContact C-N 3.26Å; F466-D468 PolarHBondContact O-N 3.36Å
469	P	92.7	Very high	90.9	Very high	88 Å²	88	58 Å²	58	57%	0.571	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-65.9	141.5	-176.2	25.2	-33.1	0	0	0	111.3	L442 F466	L442-P469 VanDerWaalsContact CD2-O 3.26Å; L442-P469 WeakPolarHBondContact CD2-O 3.42Å; F466-P469 HydrophobicContact CB-CB 4.21Å; F466-P469 HydrophobicContact CD2-CB 4.29Å
470	P	92.7	Very high	91.2	Very high	13 Å²	13	55.6 Å²	55.6	8%	0.084	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-65.8	160.4	176	29.5	-35.1	0	0	0	111.7	I441 L446 F466	I441-P470 HydrophobicContact CG1-CB 4.31Å; L446-P470 HydrophobicContact CD1-CB 3.42Å; L446-P470 VanDerWaalsContact CD1-CB 3.42Å; L446-P470 HydrophobicContact CD1-CG 3.66Å; F466-P470 HydrophobicContact CE2-CG 4.44Å
471	A	91.4	Very high	91.5	Very high	51 Å²	51	52.1 Å²	52.1	42%	0.421	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-58.7	135.4	170.9	0	0	0	0	0	109.9	E473 T474 L475	A471-E473 PolarHBondContact O-N 3.32Å; A471-E473 VanDerWaalsContact O-N 3.15Å; A471-T474 WeakPolarHBondContact O-CB 3.48Å; A471-T474 PolarHBondContact O-N 3.31Å; A471-L475 PolarHBondContact O-N 3.15Å
472	P	91.2	Very high	91.9	Very high	102 Å²	102	51.7 Å²	51.7	66%	0.662	28%	0.279	S	S	*	.	H	α-helix	trans	-54.1	-37.3	179.4	-28.8	35.1	0	0	0	113.1	T474 L475 M476	P472-T474 VanDerWaalsContact C-N 3.34Å; P472-T474 PolarHBondContact O-N 2.68Å; P472-L475 PolarHBondContact O-N 2.79Å; P472-M476 WeakPolarHBondContact O-CG 3.38Å; P472-M476 PolarHBondContact O-N 3.3Å
473	E	90.9	Very high	92.3	Very high	72 Å²	72	48 Å²	48	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-58.5	-43.4	175.4	-170	-178.6	178.3	0	0	111.9	P388 R389 A471 L475 M476 R477	P388-E473 HydrophobicContact CB-CG 4.23Å; P388-E473 HydrophobicContact CG-CG 4.47Å; R389-E473 VanDerWaalsContact CG-OE1 3.28Å; R389-E473 WeakPolarHBondContact CG-OE1 3.36Å; A471-E473 PolarHBondContact O-N 3.32Å; A471-E473 VanDerWaalsContact O-N 3.15Å; E473-L475 PolarHBondContact O-N 3.33Å; E473-M476 PolarHBondContact O-N 2.9Å; E473-R477 WeakPolarHBondContact O-CG 3.35Å; E473-R477 PolarHBondContact O-N 3.29Å
474	T	91.8	Very high	92.7	Very high	10 Å²	10	42.8 Å²	42.8	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-41.1	178	-56.1	0	0	0	0	111.4	Y386 L446 A471 P472 R477 A478	Y386-T474 HydrophobicContact CD1-CG2 3.99Å; Y386-T474 HydrophobicContact CE1-CG2 3.98Å; L446-T474 HydrophobicContact CD1-CG2 3.69Å; L446-T474 HydrophobicContact CG-CG2 3.8Å; A471-T474 WeakPolarHBondContact O-CB 3.48Å; A471-T474 PolarHBondContact O-N 3.31Å; P472-T474 VanDerWaalsContact C-N 3.34Å; P472-T474 PolarHBondContact O-N 2.68Å; T474-R477 PolarHBondContact O-N 3.19Å; T474-A478 PolarHBondContact O-N 2.71Å; T474-A478 VanDerWaalsContact O-N 3.13Å
475	L	92.1	Very high	93	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-44	176.4	-176.5	62	0	0	0	111.4	V450 L461 V462 A471 P472 E473 R477 A478 L479	V450-L475 HydrophobicContact CG2-CD1 3.62Å; L461-L475 HydrophobicContact CB-CD1 4.23Å; L461-L475 HydrophobicContact CB-CD2 4.15Å; L461-L475 HydrophobicContact CD1-CD1 4.37Å; V462-L475 HydrophobicContact CG2-CD2 4.27Å; A471-L475 PolarHBondContact O-N 3.15Å; P472-L475 PolarHBondContact O-N 2.79Å; E473-L475 PolarHBondContact O-N 3.33Å; L475-R477 VanDerWaalsContact C-N 3.33Å; L475-R477 PolarHBondContact O-N 3.33Å; L475-A478 WeakPolarHBondContact O-CB 3.34Å; L475-A478 PolarHBondContact O-N 3.12Å; L475-A478 VanDerWaalsContact O-N 3.17Å; L475-L479 HydrophobicContact CG-CD1 4.41Å; L475-L479 WeakPolarHBondContact O-CG 3.34Å; L475-L479 PolarHBondContact O-N 3.29Å
476	M	91.9	Very high	93.3	Very high	134 Å²	134	40.2 Å²	40.2	66%	0.66	22%	0.224	S	C	*	.	H	α-helix	trans	-59.7	-41.8	175.5	-71.8	-177	80.6	0	0	111.9	P472 E473 A478 L479 E480	P472-M476 WeakPolarHBondContact O-CG 3.38Å; P472-M476 PolarHBondContact O-N 3.3Å; E473-M476 PolarHBondContact O-N 2.9Å; M476-A478 VanDerWaalsContact C-N 3.33Å; M476-A478 PolarHBondContact O-N 3.49Å; M476-L479 PolarHBondContact O-N 3.47Å; M476-E480 WeakPolarHBondContact O-CB 3.34Å; M476-E480 PolarHBondContact O-N 3.5Å
477	R	91.2	Very high	93.6	Very high	69 Å²	69	39.3 Å²	39.3	26%	0.26	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-36.2	175.8	-68.8	-56.4	-174.5	-165.1	-5.6	113	P388 E473 T474 L475 E480 L481	P388-R477 HydrophobicContact CB-CG 4.23Å; P388-R477 PolarHBondContact O-NE 3.46Å; E473-R477 WeakPolarHBondContact O-CG 3.35Å; E473-R477 PolarHBondContact O-N 3.29Å; T474-R477 PolarHBondContact O-N 3.19Å; L475-R477 VanDerWaalsContact C-N 3.33Å; L475-R477 PolarHBondContact O-N 3.33Å; R477-E480 WeakPolarHBondContact CD-OE2 3.44Å; R477-E480 IonicContact CZ-OE2 2.89Å; R477-E480 IonicContact NE-OE2 3.49Å; R477-E480 IonicContact NH1-OE1 3.77Å; R477-E480 IonicContact NH1-OE2 3.28Å; R477-E480 PolarHBondContact NH1-OE2 3.45Å; R477-L481 VanDerWaalsContact O-CB 3.32Å; R477-L481 WeakPolarHBondContact O-CB 3.46Å; R477-L481 PolarHBondContact O-N 3.09Å
478	A	93.3	Very high	93.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-41.9	175.4	0	0	0	0	0	111.7	L446 V450 T474 L475 M476 L481 L482	L446-A478 HydrophobicContact CB-CB 3.92Å; V450-A478 HydrophobicContact CB-CB 4.34Å; V450-A478 HydrophobicContact CG2-CB 3.72Å; T474-A478 PolarHBondContact O-N 2.71Å; T474-A478 VanDerWaalsContact O-N 3.13Å; L475-A478 WeakPolarHBondContact O-CB 3.34Å; L475-A478 PolarHBondContact O-N 3.12Å; L475-A478 VanDerWaalsContact O-N 3.17Å; M476-A478 VanDerWaalsContact C-N 3.33Å; M476-A478 PolarHBondContact O-N 3.49Å; A478-L481 PolarHBondContact O-N 2.92Å; A478-L482 WeakPolarHBondContact O-CG 3.43Å; A478-L482 PolarHBondContact O-N 2.87Å
479	L	94	Very high	94	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.277	22%	0.223	S	C	.	.	H	α-helix	trans	-63.1	-46.2	173.6	-70.8	168.9	0	0	0	111.8	V450 L461 L475 M476 L481 L482 N483 L488	V450-L479 HydrophobicContact CG1-CD2 3.85Å; V450-L479 HydrophobicContact CG1-CG 4.5Å; L461-L479 HydrophobicContact CD1-CD2 3.94Å; L475-L479 HydrophobicContact CG-CD1 4.41Å; L475-L479 WeakPolarHBondContact O-CG 3.34Å; L475-L479 PolarHBondContact O-N 3.29Å; M476-L479 PolarHBondContact O-N 3.47Å; L479-L481 PolarHBondContact O-N 3.29Å; L479-L482 PolarHBondContact O-N 3.2Å; L479-N483 WeakPolarHBondContact O-CB 3.36Å; L479-N483 PolarHBondContact O-N 3.23Å; L479-L488 HydrophobicContact CD2-CD1 3.56Å
480	E	93.3	Very high	94	Very high	49 Å²	49	42.3 Å²	42.3	23%	0.229	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-46.8	175.7	-178.6	-170	-174.1	0	0	111.4	R391 M476 R477 L482 N483 Y484	R391-E480 IonicContact NH1-OE1 2.98Å; M476-E480 WeakPolarHBondContact O-CB 3.34Å; M476-E480 PolarHBondContact O-N 3.5Å; R477-E480 WeakPolarHBondContact CD-OE2 3.44Å; R477-E480 IonicContact CZ-OE2 2.89Å; R477-E480 IonicContact NE-OE2 3.49Å; R477-E480 IonicContact NH1-OE1 3.77Å; R477-E480 IonicContact NH1-OE2 3.28Å; R477-E480 PolarHBondContact NH1-OE2 3.45Å; E480-L482 PolarHBondContact O-N 3.07Å; E480-N483 PolarHBondContact O-N 2.95Å; E480-Y484 HydrophobicContact CG-CD2 3.77Å; E480-Y484 HydrophobicContact CG-CE2 3.4Å; E480-Y484 VanDerWaalsContact O-CD2 3.26Å; E480-Y484 WeakPolarHBondContact O-CD2 3.49Å; E480-Y484 PolarHBondContact O-N 3.42Å; E480-Y484 WeakPolarHBondContact OE1-CE2 3.44Å
481	L	94.1	Very high	94.1	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-48.2	175.7	171.2	63.6	0	0	0	111.6	R477 A478 L479 Y484 L485 Q509 M638	R477-L481 VanDerWaalsContact O-CB 3.32Å; R477-L481 WeakPolarHBondContact O-CB 3.46Å; R477-L481 PolarHBondContact O-N 3.09Å; A478-L481 PolarHBondContact O-N 2.92Å; L479-L481 PolarHBondContact O-N 3.29Å; L481-Y484 PolarHBondContact O-N 2.95Å; L481-L485 HydrophobicContact CD1-CD1 3.86Å; L481-L485 HydrophobicContact CD1-CG 4.3Å; L481-L485 HydrophobicContact CG-CD1 4.03Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 2.83Å; L481-Q509 HydrophobicContact CD1-CG 4.48Å; L481-M638 HydrophobicContact CD1-CE 4.2Å; L481-M638 HydrophobicContact CD1-SD 3.47Å; L481-M638 WeakPolarHBondContact CD1-SD 3.37Å
482	L	96.5	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-71.2	-34.7	-177.6	-68.4	174	0	0	0	112.7	V450 L451 A478 L479 E480 L485 A486 A487 L488 P508	V450-L482 HydrophobicContact CB-CD1 3.8Å; V450-L482 HydrophobicContact CG1-CD1 3.47Å; V450-L482 VanDerWaalsContact CG1-CD1 3.47Å; L451-L482 HydrophobicContact CB-CD1 4Å; L451-L482 HydrophobicContact CB-CD2 4.03Å; L451-L482 HydrophobicContact CD1-CD2 4.36Å; L451-L482 HydrophobicContact CD2-CD2 4.34Å; L451-L482 HydrophobicContact CG-CD2 4.49Å; A478-L482 WeakPolarHBondContact O-CG 3.43Å; A478-L482 PolarHBondContact O-N 2.87Å; L479-L482 PolarHBondContact O-N 3.2Å; E480-L482 PolarHBondContact O-N 3.07Å; L482-L485 PolarHBondContact O-N 3.01Å; L482-A486 PolarHBondContact O-N 3.25Å; L482-A487 HydrophobicContact CB-CB 4.23Å; L482-A487 HydrophobicContact CD2-CB 4.03Å; L482-A487 WeakPolarHBondContact O-CB 3.22Å; L482-A487 PolarHBondContact O-N 3.28Å; L482-L488 HydrophobicContact CB-CB 4.48Å; L482-L488 HydrophobicContact CB-CD1 3.76Å; L482-L488 HydrophobicContact CB-CG 3.81Å; L482-L488 HydrophobicContact CD1-CD1 3.97Å; L482-L488 HydrophobicContact CD1-CG 4.36Å; L482-L488 PolarHBondContact O-N 3.42Å; L482-P508 HydrophobicContact CD2-CB 3.78Å; L482-P508 HydrophobicContact CD2-CG 3.82Å
483	N	96.7	Very high	94.3	Very high	30 Å²	30	45.3 Å²	45.3	16%	0.16	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-46.7	171.7	176.5	-90.6	0	0	0	110.8	L479 E480 L485 A486 D489 D490 Q703	L479-N483 WeakPolarHBondContact O-CB 3.36Å; L479-N483 PolarHBondContact O-N 3.23Å; E480-N483 PolarHBondContact O-N 2.95Å; N483-L485 VanDerWaalsContact C-N 3.27Å; N483-L485 PolarHBondContact O-N 3.05Å; N483-A486 WeakPolarHBondContact O-CA 3.4Å; N483-A486 PolarHBondContact O-N 3.5Å; N483-D489 PolarHBondContact ND2-O 3.29Å; N483-D490 PolarHBondContact ND2-OD1 3.4Å; N483-Q703 PolarHBondContact OD1-NE2 2.85Å
484	Y	96.1	Very high	94.5	Very high	37 Å²	37	44.2 Å²	44.2	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-31.9	175.1	-76.3	-44.3	0	0	0	113.7	E480 L481 A486 F637 M638 Q703 Y704	E480-Y484 HydrophobicContact CG-CD2 3.77Å; E480-Y484 HydrophobicContact CG-CE2 3.4Å; E480-Y484 VanDerWaalsContact O-CD2 3.26Å; E480-Y484 WeakPolarHBondContact O-CD2 3.49Å; E480-Y484 PolarHBondContact O-N 3.42Å; E480-Y484 WeakPolarHBondContact OE1-CE2 3.44Å; L481-Y484 PolarHBondContact O-N 2.95Å; Y484-A486 PolarHBondContact O-N 3.48Å; Y484-F637 WeakPolarHBondContact O-CZ 3.38Å; Y484-M638 HydrophobicContact CD2-CE 4.07Å; Y484-M638 HydrophobicContact CD2-SD 4.27Å; Y484-Q703 HydrophobicContact CD1-CB 4.42Å; Y484-Q703 HydrophobicContact CD1-CG 4.02Å; Y484-Q703 HydrophobicContact CE1-CG 4.04Å; Y484-Y704 HydrophobicContact CD1-CD2 4.26Å; Y484-Y704 AromaticContact CD2-CD2 3.69Å; Y484-Y704 HydrophobicContact CD2-CD2 3.69Å; Y484-Y704 HydrophobicContact CD2-CE2 4.23Å; Y484-Y704 HydrophobicContact CE1-CD2 4.17Å; Y484-Y704 AromaticContact CE2-CD2 3.55Å; Y484-Y704 HydrophobicContact CE2-CD2 3.55Å; Y484-Y704 AromaticContact CE2-CE2 3.94Å; Y484-Y704 HydrophobicContact CE2-CE2 3.94Å; Y484-Y704 HydrophobicContact CG-CD2 4.05Å; Y484-Y704 AromaticContact CZ-CD2 3.83Å
485	L	96.9	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.2	173.2	-69.3	168.9	0	0	0	112.8	L481 L482 N483 A487 M501 P508 Q509 K512 F637	L481-L485 HydrophobicContact CD1-CD1 3.86Å; L481-L485 HydrophobicContact CD1-CG 4.3Å; L481-L485 HydrophobicContact CG-CD1 4.03Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 2.83Å; L482-L485 PolarHBondContact O-N 3.01Å; N483-L485 VanDerWaalsContact C-N 3.27Å; N483-L485 PolarHBondContact O-N 3.05Å; L485-A487 PolarHBondContact O-N 3.49Å; L485-M501 HydrophobicContact CB-CE 4.29Å; L485-M501 HydrophobicContact CD1-CE 4.33Å; L485-P508 HydrophobicContact CD1-CB 3.56Å; L485-Q509 HydrophobicContact CD1-CG 4.43Å; L485-K512 HydrophobicContact CD2-CB 3.96Å; L485-K512 HydrophobicContact CD2-CG 3.92Å; L485-K512 PolarHBondContact O-NZ 3.11Å; L485-F637 HydrophobicContact CD2-CE1 3.79Å; L485-F637 HydrophobicContact CD2-CZ 4.11Å
486	A	97.2	Very high	94.9	Very high	43 Å²	43	51.7 Å²	51.7	36%	0.355	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	26.3	-170.5	0	0	0	0	0	113.6	L482 N483 Y484 T495 L497	L482-A486 PolarHBondContact O-N 3.25Å; N483-A486 WeakPolarHBondContact O-CA 3.4Å; N483-A486 PolarHBondContact O-N 3.5Å; Y484-A486 PolarHBondContact O-N 3.48Å; A486-T495 PolarHBondContact O-OG1 2.89Å; A486-L497 HydrophobicContact CB-CD2 4.22Å
487	A	97.6	Very high	95.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-80.5	-27.5	171.9	0	0	0	0	0	111.8	L451 L482 L485 T495 G498 M501	L451-A487 HydrophobicContact CD1-CB 4.19Å; L482-A487 HydrophobicContact CB-CB 4.23Å; L482-A487 HydrophobicContact CD2-CB 4.03Å; L482-A487 WeakPolarHBondContact O-CB 3.22Å; L482-A487 PolarHBondContact O-N 3.28Å; L485-A487 PolarHBondContact O-N 3.49Å; A487-T495 PolarHBondContact O-N 2.76Å; A487-T495 PolarHBondContact O-OG1 3.45Å; A487-G498 WeakPolarHBondContact O-CA 3.43Å; A487-M501 HydrophobicContact CB-CE 3.82Å; A487-M501 HydrophobicContact CB-SD 3.88Å
488	L	97	Very high	95.4	Very high	3 Å²	3	44 Å²	44	2%	0.016	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-118.2	148.5	168.3	-58.8	176.8	0	0	0	109.5	V450 K454 L479 L482 N493 L494	V450-L488 HydrophobicContact CG1-CD1 4.47Å; K454-L488 HydrophobicContact CB-CD2 4.45Å; K454-L488 HydrophobicContact CD-CD2 4.33Å; K454-L488 HydrophobicContact CG-CD2 4.12Å; L479-L488 HydrophobicContact CD2-CD1 3.56Å; L482-L488 HydrophobicContact CB-CB 4.48Å; L482-L488 HydrophobicContact CB-CD1 3.76Å; L482-L488 HydrophobicContact CB-CG 3.81Å; L482-L488 HydrophobicContact CD1-CD1 3.97Å; L482-L488 HydrophobicContact CD1-CG 4.36Å; L482-L488 PolarHBondContact O-N 3.42Å; L488-N493 WeakPolarHBondContact CA-O 3.35Å; L488-N493 WeakPolarHBondContact CD2-O 3.35Å; L488-L494 HydrophobicContact CD2-CD1 4.24Å
489	D	95.5	Very high	95.5	Very high	57 Å²	57	45.8 Å²	45.8	31%	0.305	25%	0.254	S	S	.	.			trans	-78.7	-176.8	167.9	65.2	16.3	0	0	0	111.2	N483 D491 G492 N493 T495	N483-D489 PolarHBondContact ND2-O 3.29Å; D489-D491 PolarHBondContact O-N 3.44Å; D489-D491 WeakPolarHBondContact OD1-CA 3.48Å; D489-D491 PolarHBondContact OD1-N 2.94Å; D489-D491 VanDerWaalsContact OD1-N 3.08Å; D489-G492 PolarHBondContact O-N 2.9Å; D489-G492 PolarHBondContact OD1-N 3.11Å; D489-N493 PolarHBondContact N-O 2.93Å; D489-N493 PolarHBondContact OD1-N 2.7Å; D489-N493 WeakPolarHBondContact OD2-CB 3.3Å; D489-N493 PolarHBondContact OD2-ND2 3.16Å; D489-T495 HydrophobicContact CB-CG2 4.22Å
490	D	93.5	Very high	95.5	Very high	139 Å²	139	45.3 Å²	45.3	74%	0.743	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19	-179.4	-67.2	-21.8	0	0	0	112.9	N483 G492	N483-D490 PolarHBondContact ND2-OD1 3.4Å; D490-G492 VanDerWaalsContact C-N 3.32Å
491	D	92.9	Very high	95.6	Very high	143 Å²	143	43.1 Å²	43.1	77%	0.765	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.5	173.5	-66.3	-43.7	0	0	0	112.1	D489 N493	D489-D491 PolarHBondContact O-N 3.44Å; D489-D491 WeakPolarHBondContact OD1-CA 3.48Å; D489-D491 PolarHBondContact OD1-N 2.94Å; D489-D491 VanDerWaalsContact OD1-N 3.08Å; D491-N493 WeakPolarHBondContact CB-ND2 3.39Å
492	G	92.1	Very high	95.6	Very high	17 Å²	17	42.9 Å²	42.9	18%	0.175	24%	0.24	C	C	.	.	S	Bend	trans	83.5	16.8	179.6	0	0	0	0	0	114.5	K454 D489 D490	K454-G492 VanDerWaalsContact CE-O 3.31Å; K454-G492 WeakPolarHBondContact CE-O 3.33Å; K454-G492 PolarHBondContact NZ-O 3.41Å; D489-G492 PolarHBondContact O-N 2.9Å; D489-G492 PolarHBondContact OD1-N 3.11Å; D490-G492 VanDerWaalsContact C-N 3.32Å
493	N	94.8	Very high	95.3	Very high	70 Å²	70	45.1 Å²	45.1	37%	0.374	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-83.9	152.3	174.1	-50.5	-60.3	0	0	0	111	L488 D489 D491 T495	L488-N493 WeakPolarHBondContact CA-O 3.35Å; L488-N493 WeakPolarHBondContact CD2-O 3.35Å; D489-N493 PolarHBondContact N-O 2.93Å; D489-N493 PolarHBondContact OD1-N 2.7Å; D489-N493 WeakPolarHBondContact OD2-CB 3.3Å; D489-N493 PolarHBondContact OD2-ND2 3.16Å; D491-N493 WeakPolarHBondContact CB-ND2 3.39Å; N493-T495 PolarHBondContact O-N 3.4Å
494	L	95.8	Very high	95.1	Very high	49 Å²	49	44 Å²	44	26%	0.257	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-70.4	121.5	177.4	-170.4	69.3	0	0	0	110.9	L451 K454 K455 L488	L451-L494 HydrophobicContact CD1-CD1 3.66Å; K454-L494 HydrophobicContact CB-CB 4.46Å; K454-L494 HydrophobicContact CB-CD1 4.23Å; K455-L494 HydrophobicContact CB-CD2 4.17Å; K455-L494 HydrophobicContact CD-CD2 4.04Å; L488-L494 HydrophobicContact CD2-CD1 4.24Å
495	T	97.4	Very high	94.7	Very high	34 Å²	34	42.6 Å²	42.6	21%	0.209	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-79.4	165	174.6	71	0	0	0	0	111.2	A486 A487 D489 N493 L497 G498 S499	A486-T495 PolarHBondContact O-OG1 2.89Å; A487-T495 PolarHBondContact O-N 2.76Å; A487-T495 PolarHBondContact O-OG1 3.45Å; D489-T495 HydrophobicContact CB-CG2 4.22Å; N493-T495 PolarHBondContact O-N 3.4Å; T495-L497 PolarHBondContact O-N 3.49Å; T495-L497 PolarHBondContact OG1-N 2.9Å; T495-G498 PolarHBondContact O-N 3.27Å; T495-G498 PolarHBondContact OG1-N 3.15Å; T495-S499 WeakPolarHBondContact O-CB 3.34Å; T495-S499 PolarHBondContact O-N 3.34Å
496	D	95.9	Very high	94.4	Very high	147 Å²	147	43 Å²	43	79%	0.786	24%	0.242	S	C	*	.	H	α-helix	trans	-57	-38.5	172.2	-69.7	-30.3	0	0	0	111.9	S499 M500	D496-S499 PolarHBondContact O-N 2.94Å; D496-M500 PolarHBondContact O-N 3.07Å
497	L	96.5	Very high	94.2	Very high	43 Å²	43	44.9 Å²	44.9	23%	0.225	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-46.5	174	175.8	63.6	0	0	0	111	A486 T495 S499 M500 M501 K512 I515	A486-L497 HydrophobicContact CB-CD2 4.22Å; T495-L497 PolarHBondContact O-N 3.49Å; T495-L497 PolarHBondContact OG1-N 2.9Å; L497-S499 VanDerWaalsContact C-N 3.34Å; L497-S499 PolarHBondContact O-N 3.27Å; L497-M500 PolarHBondContact O-N 3.27Å; L497-M501 HydrophobicContact CD1-CG 4.22Å; L497-M501 HydrophobicContact CD1-SD 4.19Å; L497-M501 HydrophobicContact CD2-SD 4.3Å; L497-M501 HydrophobicContact CG-CG 4.34Å; L497-M501 HydrophobicContact CG-SD 3.8Å; L497-M501 WeakPolarHBondContact O-CB 3.48Å; L497-M501 WeakPolarHBondContact O-CG 3.45Å; L497-M501 PolarHBondContact O-N 2.76Å; L497-K512 HydrophobicContact CD2-CD 3.93Å; L497-I515 HydrophobicContact CD1-CB 4.3Å; L497-I515 HydrophobicContact CD1-CD1 3.96Å; L497-I515 HydrophobicContact CD1-CG2 3.73Å
498	G	96.4	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-42.6	176.6	0	0	0	0	0	112.5	A487 T495 M500 M501 A502	A487-G498 WeakPolarHBondContact O-CA 3.43Å; T495-G498 PolarHBondContact O-N 3.27Å; T495-G498 PolarHBondContact OG1-N 3.15Å; G498-M500 VanDerWaalsContact C-N 3.3Å; G498-M500 PolarHBondContact O-N 3.32Å; G498-M501 WeakPolarHBondContact O-CB 3.49Å; G498-M501 PolarHBondContact O-N 3.02Å; G498-A502 PolarHBondContact O-N 3.2Å
499	S	94.4	Very high	94	Very high	37 Å²	37	46.2 Å²	46.2	26%	0.259	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-40.4	175.8	-175.4	0	0	0	0	111.9	K455 T495 D496 L497 E503	K455-S499 PolarHBondContact NZ-O 3.16Å; K455-S499 PolarHBondContact NZ-OG 3.41Å; T495-S499 WeakPolarHBondContact O-CB 3.34Å; T495-S499 PolarHBondContact O-N 3.34Å; D496-S499 PolarHBondContact O-N 2.94Å; L497-S499 VanDerWaalsContact C-N 3.34Å; L497-S499 PolarHBondContact O-N 3.27Å; S499-E503 WeakPolarHBondContact O-CG 3.36Å
500	M	94.6	Very high	94	Very high	43 Å²	43	44 Å²	44	21%	0.212	24%	0.241	C	C	.	.	H	α-helix	trans	-70.4	-41.4	173.6	-171	-174.7	-64.1	0	0	112.1	D496 L497 G498 A502 E503 F504 I515 F610 L612	D496-M500 PolarHBondContact O-N 3.07Å; L497-M500 PolarHBondContact O-N 3.27Å; G498-M500 VanDerWaalsContact C-N 3.3Å; G498-M500 PolarHBondContact O-N 3.32Å; M500-A502 VanDerWaalsContact C-N 3.3Å; M500-A502 PolarHBondContact O-N 3.27Å; M500-E503 WeakPolarHBondContact O-CB 3.36Å; M500-E503 PolarHBondContact O-N 2.97Å; M500-F504 HydrophobicContact CG-CE2 4.28Å; M500-F504 VanDerWaalsContact O-CD2 3.31Å; M500-F504 WeakPolarHBondContact O-CD2 3.38Å; M500-I515 HydrophobicContact CB-CD1 4.21Å; M500-I515 HydrophobicContact CG-CD1 3.87Å; M500-I515 HydrophobicContact SD-CD1 3.88Å; M500-I515 HydrophobicContact SD-CG1 4.06Å; M500-I515 HydrophobicContact SD-CG2 4.08Å; M500-F610 HydrophobicContact CE-CB 4.21Å; M500-F610 HydrophobicContact CE-CD1 4.19Å; M500-F610 HydrophobicContact CE-CG 4.37Å; M500-F610 HydrophobicContact CG-CB 4.43Å; M500-F610 HydrophobicContact CG-CD1 4.11Å; M500-F610 HydrophobicContact CG-CD2 4.13Å; M500-F610 HydrophobicContact CG-CE1 4.48Å; M500-F610 HydrophobicContact CG-CG 3.95Å; M500-F610 HydrophobicContact SD-CB 4.24Å; M500-F610 HydrophobicContact SD-CG 4.38Å; M500-L612 HydrophobicContact CE-CD2 4.36Å; M500-L612 HydrophobicContact SD-CD1 3.88Å; M500-L612 HydrophobicContact SD-CD2 3.86Å; M500-L612 HydrophobicContact SD-CG 4.2Å
501	M	96.5	Very high	94.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-39.6	177.6	-75	169.6	54.2	0	0	112.1	L451 L485 A487 L497 G498 E503 F504 P508 A511 K512 I515	L451-M501 HydrophobicContact CD2-CB 4.05Å; L485-M501 HydrophobicContact CB-CE 4.29Å; L485-M501 HydrophobicContact CD1-CE 4.33Å; A487-M501 HydrophobicContact CB-CE 3.82Å; A487-M501 HydrophobicContact CB-SD 3.88Å; L497-M501 HydrophobicContact CD1-CG 4.22Å; L497-M501 HydrophobicContact CD1-SD 4.19Å; L497-M501 HydrophobicContact CD2-SD 4.3Å; L497-M501 HydrophobicContact CG-CG 4.34Å; L497-M501 HydrophobicContact CG-SD 3.8Å; L497-M501 WeakPolarHBondContact O-CB 3.48Å; L497-M501 WeakPolarHBondContact O-CG 3.45Å; L497-M501 PolarHBondContact O-N 2.76Å; G498-M501 WeakPolarHBondContact O-CB 3.49Å; G498-M501 PolarHBondContact O-N 3.02Å; M501-E503 PolarHBondContact O-N 3.38Å; M501-F504 PolarHBondContact O-N 2.57Å; M501-F504 VanDerWaalsContact O-N 3.12Å; M501-P508 HydrophobicContact CE-CB 3.9Å; M501-P508 VanDerWaalsContact CE-O 3.28Å; M501-P508 WeakPolarHBondContact CE-O 3.25Å; M501-A511 HydrophobicContact CB-CB 3.99Å; M501-A511 HydrophobicContact CG-CB 4.07Å; M501-K512 HydrophobicContact CE-CB 4.05Å; M501-K512 HydrophobicContact SD-CB 4.15Å; M501-K512 HydrophobicContact SD-CD 4.4Å; M501-I515 HydrophobicContact CB-CD1 4.4Å; M501-I515 HydrophobicContact CG-CD1 3.56Å
502	A	93.3	Very high	94.4	Very high	6 Å²	6	32.5 Å²	32.5	5%	0.05	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-26.6	-178.9	0	0	0	0	0	113.6	L451 K455 G498 M500 F504	L451-A502 HydrophobicContact CD1-CB 4.38Å; L451-A502 HydrophobicContact CD2-CB 4.29Å; L451-A502 HydrophobicContact CG-CB 3.93Å; K455-A502 HydrophobicContact CB-CB 3.88Å; K455-A502 HydrophobicContact CD-CB 4.26Å; K455-A502 HydrophobicContact CG-CB 3.89Å; G498-A502 PolarHBondContact O-N 3.2Å; M500-A502 VanDerWaalsContact C-N 3.3Å; M500-A502 PolarHBondContact O-N 3.27Å; A502-F504 VanDerWaalsContact C-N 3.31Å
503	E	91	Very high	94.7	Very high	47 Å²	47	31.7 Å²	31.7	22%	0.22	17%	0.169	C	C	.	.	H	α-helix	trans	-77	-22.4	-179.2	-61.5	-80.1	165.3	0	0	111.9	K455 S499 M500 M501 F610	K455-E503 WeakPolarHBondContact CE-OE1 3.26Å; K455-E503 IonicContact NZ-OE1 2.67Å; K455-E503 PolarHBondContact NZ-OE1 2.74Å; S499-E503 WeakPolarHBondContact O-CG 3.36Å; M500-E503 WeakPolarHBondContact O-CB 3.36Å; M500-E503 PolarHBondContact O-N 2.97Å; M501-E503 PolarHBondContact O-N 3.38Å; E503-F610 HydrophobicContact CB-CE2 3.7Å; E503-F610 HydrophobicContact CB-CZ 3.99Å; E503-F610 HydrophobicContact CG-CE2 3.89Å; E503-F610 HydrophobicContact CG-CZ 3.61Å
504	F	91.6	Very high	94.8	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.026	15%	0.151	C	C	.	.	S	Bend	trans	-75.8	129.4	174.1	-73.9	-89.8	0	0	0	109.7	M500 M501 A502 L506 A511 V514 I515 L603 I606 M607 L612	M500-F504 HydrophobicContact CG-CE2 4.28Å; M500-F504 VanDerWaalsContact O-CD2 3.31Å; M500-F504 WeakPolarHBondContact O-CD2 3.38Å; M501-F504 PolarHBondContact O-N 2.57Å; M501-F504 VanDerWaalsContact O-N 3.12Å; A502-F504 VanDerWaalsContact C-N 3.31Å; F504-L506 HydrophobicContact CB-CB 4.27Å; F504-L506 HydrophobicContact CB-CD1 4.12Å; F504-L506 HydrophobicContact CB-CG 4.23Å; F504-L506 HydrophobicContact CD1-CD1 4.25Å; F504-L506 PolarHBondContact O-N 3.21Å; F504-A511 HydrophobicContact CB-CB 4Å; F504-V514 HydrophobicContact CE1-CG1 4.09Å; F504-V514 HydrophobicContact CZ-CG1 4.4Å; F504-I515 HydrophobicContact CD2-CD1 4.27Å; F504-I515 HydrophobicContact CE2-CD1 3.99Å; F504-I515 HydrophobicContact CE2-CG1 3.93Å; F504-I515 HydrophobicContact CZ-CG1 4.45Å; F504-L603 HydrophobicContact CD1-CD2 3.91Å; F504-I606 HydrophobicContact CD1-CB 4.38Å; F504-I606 HydrophobicContact CD1-CD1 4.46Å; F504-I606 HydrophobicContact CD1-CG2 3.99Å; F504-I606 HydrophobicContact CD2-CG2 4.21Å; F504-I606 HydrophobicContact CE1-CB 3.98Å; F504-I606 HydrophobicContact CE1-CG2 3.67Å; F504-I606 HydrophobicContact CE2-CG2 3.9Å; F504-I606 HydrophobicContact CG-CG2 4.26Å; F504-I606 HydrophobicContact CZ-CB 4.31Å; F504-I606 HydrophobicContact CZ-CG2 3.62Å; F504-M607 HydrophobicContact CE1-CG 4.07Å; F504-M607 HydrophobicContact CZ-CG 4.07Å; F504-L612 HydrophobicContact CE2-CD1 4.4Å; F504-L612 HydrophobicContact CZ-CD1 4.02Å
505	P	88.5	Confident	94.9	Very high	8 Å²	8	26.9 Å²	26.9	5%	0.052	14%	0.144	C	C	.	.	S	Bend	trans	-76.8	64.5	173.8	36.3	-39.7	0	0	0	108.9	R161 F162 L603 I606	R161-P505 VanDerWaalsContact CZ-O 3.22Å; R161-P505 PolarHBondContact NE-O 3.25Å; R161-P505 PolarHBondContact NH2-O 3.29Å; F162-P505 HydrophobicContact CE1-CB 4.22Å; F162-P505 HydrophobicContact CE1-CG 3.65Å; F162-P505 HydrophobicContact CZ-CB 4.42Å; F162-P505 HydrophobicContact CZ-CG 4.17Å; P505-L603 HydrophobicContact CG-CD2 3.96Å; P505-I606 VanDerWaalsContact CD-CD1 3.44Å; P505-I606 HydrophobicContact CG-CD1 4.26Å
506	L	90.5	Very high	94.9	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.052	14%	0.139	C	C	.	.	S	Bend	trans	-146.4	163.2	-171.9	-66.2	177.2	0	0	0	110.1	F504 L510 A511 V514 T530 S534 L603	F504-L506 HydrophobicContact CB-CB 4.27Å; F504-L506 HydrophobicContact CB-CD1 4.12Å; F504-L506 HydrophobicContact CB-CG 4.23Å; F504-L506 HydrophobicContact CD1-CD1 4.25Å; F504-L506 PolarHBondContact O-N 3.21Å; L506-L510 HydrophobicContact CB-CB 4.07Å; L506-L510 HydrophobicContact CD1-CB 4.24Å; L506-L510 HydrophobicContact CD2-CD1 4.43Å; L506-A511 HydrophobicContact CB-CB 4.36Å; L506-V514 HydrophobicContact CD1-CG2 4.27Å; L506-T530 HydrophobicContact CD1-CG2 3.53Å; L506-T530 HydrophobicContact CD2-CG2 3.81Å; L506-T530 HydrophobicContact CG-CG2 4.34Å; L506-S534 WeakPolarHBondContact CD2-OG 3.35Å; L506-L603 HydrophobicContact CD1-CD1 4.16Å; L506-L603 HydrophobicContact CD1-CD2 3.83Å; L506-L603 HydrophobicContact CD2-CD1 4.29Å; L506-L603 HydrophobicContact CD2-CD2 4.24Å; L506-L603 HydrophobicContact CG-CD2 3.94Å
507	D	91.5	Very high	95	Very high	82 Å²	82	18.9 Å²	18.9	44%	0.439	10%	0.101	S	C	.	.			trans	-67.8	148.5	167.3	-64.6	-24.2	0	0	0	109.8	Q509 L510 A511	D507-Q509 PolarHBondContact O-N 3.04Å; D507-Q509 VanDerWaalsContact O-N 3.13Å; D507-L510 PolarHBondContact O-N 3.28Å; D507-A511 PolarHBondContact O-N 2.97Å
508	P	95.5	Very high	95	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.013	10%	0.097	C	C	.	.	H	α-helix	trans	-51.3	-39.6	-177.1	-30.5	34.9	0	0	0	114.1	T448 L451 L482 L485 M501 L510 A511 K512	T448-P508 VanDerWaalsContact OG1-CD 3.25Å; T448-P508 WeakPolarHBondContact OG1-CD 3.35Å; L451-P508 HydrophobicContact CD2-CB 4.46Å; L451-P508 HydrophobicContact CD2-CG 4.14Å; L482-P508 HydrophobicContact CD2-CB 3.78Å; L482-P508 HydrophobicContact CD2-CG 3.82Å; L485-P508 HydrophobicContact CD1-CB 3.56Å; M501-P508 HydrophobicContact CE-CB 3.9Å; M501-P508 VanDerWaalsContact CE-O 3.28Å; M501-P508 WeakPolarHBondContact CE-O 3.25Å; P508-L510 PolarHBondContact O-N 2.95Å; P508-A511 PolarHBondContact O-N 2.9Å; P508-K512 WeakPolarHBondContact O-CB 3.04Å; P508-K512 PolarHBondContact O-N 3.06Å
509	Q	95.7	Very high	94.9	Very high	28 Å²	28	24.1 Å²	24.1	13%	0.131	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-44.9	175.8	-65.7	104.7	-53.3	0	0	112.5	L481 L485 D507 M513 G635 F636	L481-Q509 HydrophobicContact CD1-CG 4.48Å; L485-Q509 HydrophobicContact CD1-CG 4.43Å; D507-Q509 PolarHBondContact O-N 3.04Å; D507-Q509 VanDerWaalsContact O-N 3.13Å; Q509-M513 WeakPolarHBondContact O-CB 3.18Å; Q509-M513 PolarHBondContact O-N 3.27Å; Q509-G635 VanDerWaalsContact CB-O 3.3Å; Q509-G635 WeakPolarHBondContact CB-O 3.24Å; Q509-G635 VanDerWaalsContact CG-O 3.27Å; Q509-G635 WeakPolarHBondContact CG-O 3.25Å; Q509-G635 VanDerWaalsContact O-CA 3.32Å; Q509-G635 WeakPolarHBondContact O-CA 3.24Å; Q509-F636 HydrophobicContact CB-CD1 4.36Å; Q509-F636 HydrophobicContact CB-CE1 4.18Å; Q509-F636 HydrophobicContact CB-CZ 4.41Å
510	L	96.6	Very high	95	Very high	12 Å²	12	24.8 Å²	24.8	6%	0.063	13%	0.128	C	C	.	.	H	α-helix	trans	-69.9	-40.6	179.3	-72.1	174.6	0	0	0	111.6	L506 D507 P508 M513 V514 T530 L533 F636	L506-L510 HydrophobicContact CB-CB 4.07Å; L506-L510 HydrophobicContact CD1-CB 4.24Å; L506-L510 HydrophobicContact CD2-CD1 4.43Å; D507-L510 PolarHBondContact O-N 3.28Å; P508-L510 PolarHBondContact O-N 2.95Å; L510-M513 HydrophobicContact CD2-CE 3.58Å; L510-M513 WeakPolarHBondContact O-CB 3.36Å; L510-M513 PolarHBondContact O-N 2.6Å; L510-V514 WeakPolarHBondContact O-CG2 3.36Å; L510-V514 PolarHBondContact O-N 2.89Å; L510-T530 HydrophobicContact CB-CG2 4.26Å; L510-T530 HydrophobicContact CD2-CG2 4.32Å; L510-L533 HydrophobicContact CD2-CD1 3.84Å; L510-F636 HydrophobicContact CD2-CE2 3.66Å; L510-F636 HydrophobicContact CD2-CZ 3.6Å; L510-F636 HydrophobicContact CG-CE2 4.46Å; L510-F636 HydrophobicContact CG-CZ 4.07Å
511	A	96.8	Very high	95.1	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-47.3	176.2	0	0	0	0	0	111.2	M501 F504 L506 D507 P508 M513 V514 I515	M501-A511 HydrophobicContact CB-CB 3.99Å; M501-A511 HydrophobicContact CG-CB 4.07Å; F504-A511 HydrophobicContact CB-CB 4Å; L506-A511 HydrophobicContact CB-CB 4.36Å; D507-A511 PolarHBondContact O-N 2.97Å; P508-A511 PolarHBondContact O-N 2.9Å; A511-M513 VanDerWaalsContact C-N 3.33Å; A511-M513 PolarHBondContact O-N 2.84Å; A511-V514 PolarHBondContact O-N 2.89Å; A511-I515 WeakPolarHBondContact O-CG1 3.41Å; A511-I515 PolarHBondContact O-N 3.25Å
512	K	97.6	Very high	95.1	Very high	38 Å²	38	25.6 Å²	25.6	17%	0.165	13%	0.133	C	C	.	.	H	α-helix	trans	-56.5	-46.7	173.9	175	64.8	174.7	-143.4	0	111.6	L485 L497 M501 P508 V514 I515 A516 S634	L485-K512 HydrophobicContact CD2-CB 3.96Å; L485-K512 HydrophobicContact CD2-CG 3.92Å; L485-K512 PolarHBondContact O-NZ 3.11Å; L497-K512 HydrophobicContact CD2-CD 3.93Å; M501-K512 HydrophobicContact CE-CB 4.05Å; M501-K512 HydrophobicContact SD-CB 4.15Å; M501-K512 HydrophobicContact SD-CD 4.4Å; P508-K512 WeakPolarHBondContact O-CB 3.04Å; P508-K512 PolarHBondContact O-N 3.06Å; K512-V514 PolarHBondContact O-N 3.12Å; K512-I515 PolarHBondContact O-N 3.47Å; K512-A516 VanDerWaalsContact O-CB 3.26Å; K512-A516 WeakPolarHBondContact O-CB 3.25Å; K512-A516 PolarHBondContact O-N 2.79Å; K512-S634 WeakPolarHBondContact CG-O 3.42Å
513	M	97.7	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-45.2	179.5	-177.2	177.7	76.3	0	0	112.1	Q509 L510 A511 S517 I526 T530 L632 F636	Q509-M513 WeakPolarHBondContact O-CB 3.18Å; Q509-M513 PolarHBondContact O-N 3.27Å; L510-M513 HydrophobicContact CD2-CE 3.58Å; L510-M513 WeakPolarHBondContact O-CB 3.36Å; L510-M513 PolarHBondContact O-N 2.6Å; A511-M513 VanDerWaalsContact C-N 3.33Å; A511-M513 PolarHBondContact O-N 2.84Å; M513-S517 VanDerWaalsContact O-CB 3.29Å; M513-S517 WeakPolarHBondContact O-CB 3.18Å; M513-S517 PolarHBondContact O-N 3.29Å; M513-I526 HydrophobicContact CE-CG2 4.12Å; M513-I526 HydrophobicContact CG-CD1 4.34Å; M513-I526 HydrophobicContact CG-CG2 3.83Å; M513-I526 HydrophobicContact SD-CD1 4.44Å; M513-T530 WeakPolarHBondContact CE-OG1 2.98Å; M513-L632 HydrophobicContact CE-CD2 4.44Å; M513-L632 HydrophobicContact SD-CD2 3.54Å; M513-L632 VanDerWaalsContact SD-CD2 3.54Å; M513-F636 HydrophobicContact CE-CE2 4.2Å; M513-F636 HydrophobicContact SD-CD2 3.89Å; M513-F636 HydrophobicContact SD-CE2 3.76Å
514	V	97.7	Very high	95.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-46.4	177.3	171.9	0	0	0	0	111	F504 L506 L510 A511 K512 S517 I526 L527 T530 M607	F504-V514 HydrophobicContact CE1-CG1 4.09Å; F504-V514 HydrophobicContact CZ-CG1 4.4Å; L506-V514 HydrophobicContact CD1-CG2 4.27Å; L510-V514 WeakPolarHBondContact O-CG2 3.36Å; L510-V514 PolarHBondContact O-N 2.89Å; A511-V514 PolarHBondContact O-N 2.89Å; K512-V514 PolarHBondContact O-N 3.12Å; V514-S517 PolarHBondContact O-N 3.21Å; V514-S517 PolarHBondContact O-OG 3.02Å; V514-I526 HydrophobicContact CG2-CG2 4.27Å; V514-L527 HydrophobicContact CG1-CD1 4.39Å; V514-T530 HydrophobicContact CG2-CG2 3.78Å; V514-T530 VanDerWaalsContact CG2-OG1 3.27Å; V514-T530 WeakPolarHBondContact CG2-OG1 3.24Å; V514-M607 HydrophobicContact CG1-CE 4.38Å; V514-M607 HydrophobicContact CG1-CG 4.17Å; V514-M607 HydrophobicContact CG1-SD 3.86Å
515	I	97.5	Very high	96	Very high	19 Å²	19	24.9 Å²	24.9	10%	0.097	13%	0.13	C	C	.	.	H	α-helix	trans	-65.7	-50.8	-178.5	-63.6	165.7	0	0	0	110.6	L497 M500 M501 F504 A511 K512 S517 C518 L612	L497-I515 HydrophobicContact CD1-CB 4.3Å; L497-I515 HydrophobicContact CD1-CD1 3.96Å; L497-I515 HydrophobicContact CD1-CG2 3.73Å; M500-I515 HydrophobicContact CB-CD1 4.21Å; M500-I515 HydrophobicContact CG-CD1 3.87Å; M500-I515 HydrophobicContact SD-CD1 3.88Å; M500-I515 HydrophobicContact SD-CG1 4.06Å; M500-I515 HydrophobicContact SD-CG2 4.08Å; M501-I515 HydrophobicContact CB-CD1 4.4Å; M501-I515 HydrophobicContact CG-CD1 3.56Å; F504-I515 HydrophobicContact CD2-CD1 4.27Å; F504-I515 HydrophobicContact CE2-CD1 3.99Å; F504-I515 HydrophobicContact CE2-CG1 3.93Å; F504-I515 HydrophobicContact CZ-CG1 4.45Å; A511-I515 WeakPolarHBondContact O-CG1 3.41Å; A511-I515 PolarHBondContact O-N 3.25Å; K512-I515 PolarHBondContact O-N 3.47Å; I515-S517 PolarHBondContact O-N 2.69Å; I515-C518 WeakPolarHBondContact O-CB 3.44Å; I515-C518 PolarHBondContact O-N 3.19Å; I515-C518 PolarHBondContact O-SG 3.23Å; I515-L612 HydrophobicContact CG1-CD1 4.03Å; I515-L612 HydrophobicContact CG2-CD2 4.49Å
516	A	96.9	Very high	96.4	Very high	13 Å²	13	24.5 Å²	24.5	11%	0.107	13%	0.128	C	C	.	.	H	α-helix	trans	-66.7	-23.1	-178.3	0	0	0	0	0	113.5	K512 C518 D519 Y520 S634	K512-A516 VanDerWaalsContact O-CB 3.26Å; K512-A516 WeakPolarHBondContact O-CB 3.25Å; K512-A516 PolarHBondContact O-N 2.79Å; A516-C518 PolarHBondContact O-N 3.41Å; A516-C518 VanDerWaalsContact O-N 3.12Å; A516-D519 PolarHBondContact O-N 2.9Å; A516-D519 VanDerWaalsContact O-N 3.11Å; A516-Y520 VanDerWaalsContact O-CD2 3.27Å; A516-Y520 WeakPolarHBondContact O-CD2 3.37Å; A516-S634 WeakPolarHBondContact CB-OG 3.48Å
517	S	97.4	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.5	176.9	71.6	0	0	0	0	114.4	M513 V514 I515 D519 Y520 N521 C522 S523	M513-S517 VanDerWaalsContact O-CB 3.29Å; M513-S517 WeakPolarHBondContact O-CB 3.18Å; M513-S517 PolarHBondContact O-N 3.29Å; V514-S517 PolarHBondContact O-N 3.21Å; V514-S517 PolarHBondContact O-OG 3.02Å; I515-S517 PolarHBondContact O-N 2.69Å; S517-D519 VanDerWaalsContact C-N 3.25Å; S517-D519 PolarHBondContact O-N 2.86Å; S517-Y520 PolarHBondContact O-N 2.94Å; S517-N521 PolarHBondContact O-N 3.47Å; S517-C522 PolarHBondContact O-N 2.8Å; S517-S523 WeakPolarHBondContact OG-CA 3.27Å; S517-S523 WeakPolarHBondContact OG-CB 3.4Å
518	C	96.5	Very high	97.1	Very high	19 Å²	19	20.2 Å²	20.2	13%	0.128	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-37.7	175.1	-59.7	0	0	0	0	111.5	I515 A516 Y520 N521	I515-C518 WeakPolarHBondContact O-CB 3.44Å; I515-C518 PolarHBondContact O-N 3.19Å; I515-C518 PolarHBondContact O-SG 3.23Å; A516-C518 PolarHBondContact O-N 3.41Å; A516-C518 VanDerWaalsContact O-N 3.12Å; C518-Y520 VanDerWaalsContact C-N 3.3Å; C518-Y520 PolarHBondContact O-N 3.43Å; C518-N521 PolarHBondContact O-N 2.84Å
519	D	95.8	Very high	97.2	Very high	134 Å²	134	20.1 Å²	20.1	72%	0.717	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24	-179.1	-59.7	-29.1	0	0	0	112.5	A516 S517	A516-D519 PolarHBondContact O-N 2.9Å; A516-D519 VanDerWaalsContact O-N 3.11Å; S517-D519 VanDerWaalsContact C-N 3.25Å; S517-D519 PolarHBondContact O-N 2.86Å
520	Y	96.1	Very high	97.3	Very high	50 Å²	50	18.8 Å²	18.8	20%	0.196	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	3.2	178.5	-62.1	-78.2	0	0	0	113.3	A516 S517 C518 C522 N627 K630 A631 I700	A516-Y520 VanDerWaalsContact O-CD2 3.27Å; A516-Y520 WeakPolarHBondContact O-CD2 3.37Å; S517-Y520 PolarHBondContact O-N 2.94Å; C518-Y520 VanDerWaalsContact C-N 3.3Å; C518-Y520 PolarHBondContact O-N 3.43Å; Y520-C522 VanDerWaalsContact C-N 3.27Å; Y520-C522 PolarHBondContact O-N 3.29Å; Y520-N627 VanDerWaalsContact O-CB 3.28Å; Y520-N627 WeakPolarHBondContact O-CB 3.43Å; Y520-N627 PolarHBondContact O-ND2 3.38Å; Y520-K630 HydrophobicContact CD1-CB 3.8Å; Y520-K630 HydrophobicContact CD1-CD 4.26Å; Y520-K630 HydrophobicContact CE1-CB 3.67Å; Y520-K630 HydrophobicContact CE1-CD 4.16Å; Y520-A631 HydrophobicContact CD2-CB 3.87Å; Y520-A631 HydrophobicContact CG-CB 4.22Å; Y520-I700 HydrophobicContact CE1-CD1 4.44Å; Y520-I700 WeakPolarHBondContact OH-CD1 3.22Å; Y520-I700 WeakPolarHBondContact OH-CG1 3.17Å
521	N	96.5	Very high	97.2	Very high	62 Å²	62	18.2 Å²	18.2	33%	0.332	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	39.2	-178	-56.9	-69.6	0	0	0	114.1	S517 C518 S615 S616 T617	S517-N521 PolarHBondContact O-N 3.47Å; C518-N521 PolarHBondContact O-N 2.84Å; N521-S615 WeakPolarHBondContact CA-OG 3.46Å; N521-S616 CarbonylContact O-C 3.42Å; N521-S616 VanDerWaalsContact O-C 3.26Å; N521-S616 WeakPolarHBondContact O-CA 3.44Å; N521-T617 PolarHBondContact O-N 2.9Å; N521-T617 PolarHBondContact O-OG1 3.28Å
522	C	97.4	Very high	97.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.			trans	-140.9	29	179.4	59.8	0	0	0	0	112.3	S517 Y520 N524 E525 I526 S615 N627 I628	S517-C522 PolarHBondContact O-N 2.8Å; Y520-C522 VanDerWaalsContact C-N 3.27Å; Y520-C522 PolarHBondContact O-N 3.29Å; C522-N524 VanDerWaalsContact C-N 3.28Å; C522-N524 PolarHBondContact O-N 3Å; C522-E525 VanDerWaalsContact CA-OE2 3.28Å; C522-E525 WeakPolarHBondContact CA-OE2 3.25Å; C522-E525 PolarHBondContact O-N 2.98Å; C522-I526 WeakPolarHBondContact O-CG1 3.29Å; C522-I526 PolarHBondContact O-N 2.75Å; C522-S615 CarbonylContact C-O 3.4Å; C522-N627 HydrophobicContact CB-CB 4.39Å; C522-I628 HydrophobicContact CB-CG1 3.77Å
523	S	97.5	Very high	97	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.9	-25.2	-174.2	58.5	0	0	0	0	113.1	S517 L527 R613 R614 S615	S517-S523 WeakPolarHBondContact OG-CA 3.27Å; S517-S523 WeakPolarHBondContact OG-CB 3.4Å; S523-L527 WeakPolarHBondContact O-CB 3.44Å; S523-L527 PolarHBondContact O-N 2.77Å; S523-R613 PolarHBondContact OG-O 2.87Å; S523-R614 VanDerWaalsContact OG-CA 3.3Å; S523-R614 WeakPolarHBondContact OG-CA 3.25Å; S523-S615 PolarHBondContact N-O 2.86Å; S523-S615 PolarHBondContact OG-N 3.12Å
524	N	97.4	Very high	96.6	Very high	36 Å²	36	19.9 Å²	19.9	19%	0.193	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-40.7	171.7	-79.1	-44.6	0	0	0	113	C522 S528 R600 S615 S616	C522-N524 VanDerWaalsContact C-N 3.28Å; C522-N524 PolarHBondContact O-N 3Å; N524-S528 PolarHBondContact O-N 2.88Å; N524-S528 PolarHBondContact O-OG 3.16Å; N524-R600 PolarHBondContact O-NH2 2.99Å; N524-S615 PolarHBondContact N-O 2.94Å; N524-S616 VanDerWaalsContact CB-OG 3.28Å; N524-S616 WeakPolarHBondContact CB-OG 3.37Å; N524-S616 PolarHBondContact ND2-OG 2.81Å
525	E	98.3	Very high	96	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-71.3	-47	178.9	-68.3	73.6	-157.2	0	0	110.3	C522 L527 S528 I529 L567 S616 Y624 I628	C522-E525 VanDerWaalsContact CA-OE2 3.28Å; C522-E525 WeakPolarHBondContact CA-OE2 3.25Å; C522-E525 PolarHBondContact O-N 2.98Å; E525-L527 VanDerWaalsContact C-N 3.31Å; E525-L527 PolarHBondContact O-N 3.29Å; E525-S528 WeakPolarHBondContact O-CA 3.37Å; E525-S528 WeakPolarHBondContact O-CB 3.16Å; E525-S528 PolarHBondContact O-N 3.21Å; E525-I529 WeakPolarHBondContact O-CG1 3.48Å; E525-I529 PolarHBondContact O-N 2.81Å; E525-L567 HydrophobicContact CB-CD1 4.1Å; E525-L567 HydrophobicContact CB-CD2 3.88Å; E525-L567 HydrophobicContact CG-CD1 4.32Å; E525-L567 HydrophobicContact CG-CD2 3.86Å; E525-S616 VanDerWaalsContact OE1-CB 3.28Å; E525-S616 WeakPolarHBondContact OE1-CB 3.48Å; E525-S616 PolarHBondContact OE1-OG 2.99Å; E525-S616 PolarHBondContact OE2-OG 2.97Å; E525-Y624 HydrophobicContact CG-CE2 4.22Å; E525-Y624 WeakPolarHBondContact CG-OH 3.44Å; E525-Y624 PolarHBondContact OE1-OH 3.17Å; E525-I628 HydrophobicContact CB-CD1 3.86Å; E525-I628 HydrophobicContact CB-CG1 3.97Å; E525-I628 HydrophobicContact CG-CD1 3.81Å; E525-I628 HydrophobicContact CG-CG1 4.31Å
526	I	98.3	Very high	95.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-40.1	177	-69.7	-68.2	0	0	0	111.1	M513 V514 C522 S528 I529 T530 I628 A631 L632	M513-I526 HydrophobicContact CE-CG2 4.12Å; M513-I526 HydrophobicContact CG-CD1 4.34Å; M513-I526 HydrophobicContact CG-CG2 3.83Å; M513-I526 HydrophobicContact SD-CD1 4.44Å; V514-I526 HydrophobicContact CG2-CG2 4.27Å; C522-I526 WeakPolarHBondContact O-CG1 3.29Å; C522-I526 PolarHBondContact O-N 2.75Å; I526-S528 PolarHBondContact O-N 2.85Å; I526-I529 HydrophobicContact CD1-CD1 4.4Å; I526-I529 PolarHBondContact O-N 3.28Å; I526-T530 WeakPolarHBondContact O-CB 3.31Å; I526-T530 PolarHBondContact O-N 3.42Å; I526-T530 PolarHBondContact O-OG1 2.65Å; I526-I628 HydrophobicContact CD1-CG2 4.01Å; I526-A631 HydrophobicContact CD1-CB 3.72Å; I526-A631 HydrophobicContact CG1-CB 3.73Å; I526-L632 HydrophobicContact CD1-CD2 3.95Å; I526-L632 HydrophobicContact CD1-CG 4.37Å
527	L	97.7	Very high	94.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-39	173.8	-170.8	65.5	0	0	0	112	V514 S523 E525 S531 R600 L603 M607	V514-L527 HydrophobicContact CG1-CD1 4.39Å; S523-L527 WeakPolarHBondContact O-CB 3.44Å; S523-L527 PolarHBondContact O-N 2.77Å; E525-L527 VanDerWaalsContact C-N 3.31Å; E525-L527 PolarHBondContact O-N 3.29Å; L527-S531 WeakPolarHBondContact O-CB 3.34Å; L527-S531 PolarHBondContact O-N 3.35Å; L527-S531 VanDerWaalsContact O-N 3.08Å; L527-S531 PolarHBondContact O-OG 3Å; L527-R600 HydrophobicContact CD2-CG 3.95Å; L527-R600 HydrophobicContact CG-CG 3.82Å; L527-L603 HydrophobicContact CD1-CB 3.4Å; L527-L603 VanDerWaalsContact CD1-CB 3.4Å; L527-L603 HydrophobicContact CD1-CD1 4.08Å; L527-L603 HydrophobicContact CD1-CG 4.41Å; L527-M607 HydrophobicContact CD1-SD 3.7Å; L527-M607 HydrophobicContact CD2-SD 3.99Å; L527-M607 HydrophobicContact CG-SD 4.3Å
528	S	97.8	Very high	94.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-69.6	-44.6	177.1	-50.1	0	0	0	0	111.4	N524 E525 I526 S531 M532 R600	N524-S528 PolarHBondContact O-N 2.88Å; N524-S528 PolarHBondContact O-OG 3.16Å; E525-S528 WeakPolarHBondContact O-CA 3.37Å; E525-S528 WeakPolarHBondContact O-CB 3.16Å; E525-S528 PolarHBondContact O-N 3.21Å; I526-S528 PolarHBondContact O-N 2.85Å; S528-S531 PolarHBondContact O-N 3.36Å; S528-M532 VanDerWaalsContact O-CG 3.31Å; S528-M532 WeakPolarHBondContact O-CG 3.33Å; S528-M532 PolarHBondContact O-N 2.98Å; S528-R600 PolarHBondContact OG-NE 3.48Å
529	I	97.8	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-49.4	175.7	-68.1	169	0	0	0	110.6	E525 I526 S531 M532 L533 H563 L567 I628 L632	E525-I529 WeakPolarHBondContact O-CG1 3.48Å; E525-I529 PolarHBondContact O-N 2.81Å; I526-I529 HydrophobicContact CD1-CD1 4.4Å; I526-I529 PolarHBondContact O-N 3.28Å; I529-S531 PolarHBondContact O-N 2.62Å; I529-M532 WeakPolarHBondContact O-CB 3.45Å; I529-M532 PolarHBondContact O-N 3.48Å; I529-M532 VanDerWaalsContact O-N 3.1Å; I529-L533 HydrophobicContact CG2-CD1 3.91Å; I529-L533 HydrophobicContact CG2-CG 4.27Å; I529-L533 WeakPolarHBondContact O-CG 3.5Å; I529-L533 PolarHBondContact O-N 3.31Å; I529-H563 HydrophobicContact CG2-CB 4.34Å; I529-L567 HydrophobicContact CD1-CB 4.31Å; I529-L567 HydrophobicContact CD1-CD2 4.45Å; I529-L567 HydrophobicContact CG1-CB 4.01Å; I529-L567 HydrophobicContact CG1-CD1 4.33Å; I529-I628 HydrophobicContact CD1-CG2 3.6Å; I529-L632 HydrophobicContact CG2-CD2 4.26Å
530	T	97.2	Very high	93.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.2	-39.9	177.3	-62.9	0	0	0	0	111.7	L506 L510 M513 V514 I526 L533 S534 L603	L506-T530 HydrophobicContact CD1-CG2 3.53Å; L506-T530 HydrophobicContact CD2-CG2 3.81Å; L506-T530 HydrophobicContact CG-CG2 4.34Å; L510-T530 HydrophobicContact CB-CG2 4.26Å; L510-T530 HydrophobicContact CD2-CG2 4.32Å; M513-T530 WeakPolarHBondContact CE-OG1 2.98Å; V514-T530 HydrophobicContact CG2-CG2 3.78Å; V514-T530 VanDerWaalsContact CG2-OG1 3.27Å; V514-T530 WeakPolarHBondContact CG2-OG1 3.24Å; I526-T530 WeakPolarHBondContact O-CB 3.31Å; I526-T530 PolarHBondContact O-N 3.42Å; I526-T530 PolarHBondContact O-OG1 2.65Å; T530-L533 PolarHBondContact O-N 2.96Å; T530-S534 WeakPolarHBondContact O-CB 3.41Å; T530-S534 PolarHBondContact O-N 3.39Å; T530-S534 PolarHBondContact O-OG 3.13Å; T530-L603 HydrophobicContact CG2-CD1 3.93Å
531	S	95.4	Very high	93.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-39	178.3	-56.8	0	0	0	0	112.1	L527 S528 I529 S534 A596 R600	L527-S531 WeakPolarHBondContact O-CB 3.34Å; L527-S531 PolarHBondContact O-N 3.35Å; L527-S531 VanDerWaalsContact O-N 3.08Å; L527-S531 PolarHBondContact O-OG 3Å; S528-S531 PolarHBondContact O-N 3.36Å; I529-S531 PolarHBondContact O-N 2.62Å; S531-S534 PolarHBondContact O-N 2.94Å; S531-A596 VanDerWaalsContact CB-O 3.31Å; S531-A596 WeakPolarHBondContact CB-O 3.32Å; S531-R600 WeakPolarHBondContact OG-CA 3.49Å; S531-R600 VanDerWaalsContact OG-CB 3.26Å; S531-R600 WeakPolarHBondContact OG-CB 3.42Å; S531-R600 PolarHBondContact OG-N 3.11Å
532	M	95.6	Very high	92.7	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.044	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-37.1	174.3	-70	-67	-75.1	0	0	112.7	S528 I529 S534 V535 C538 M566 V569 Y570 L593 A596	S528-M532 VanDerWaalsContact O-CG 3.31Å; S528-M532 WeakPolarHBondContact O-CG 3.33Å; S528-M532 PolarHBondContact O-N 2.98Å; I529-M532 WeakPolarHBondContact O-CB 3.45Å; I529-M532 PolarHBondContact O-N 3.48Å; I529-M532 VanDerWaalsContact O-N 3.1Å; M532-S534 VanDerWaalsContact C-N 3.28Å; M532-S534 PolarHBondContact O-N 3.3Å; M532-V535 VanDerWaalsContact O-CG2 3.23Å; M532-V535 WeakPolarHBondContact O-CG2 3.09Å; M532-C538 HydrophobicContact CE-CB 3.79Å; M532-M566 HydrophobicContact CB-CB 4.25Å; M532-M566 HydrophobicContact CB-SD 4.4Å; M532-M566 HydrophobicContact CE-CB 4.39Å; M532-V569 HydrophobicContact CE-CG1 4.33Å; M532-Y570 HydrophobicContact CG-CD2 4.2Å; M532-Y570 HydrophobicContact CG-CG 4.45Å; M532-Y570 HydrophobicContact SD-CD2 3.84Å; M532-Y570 HydrophobicContact SD-CG 4.46Å; M532-L593 HydrophobicContact CE-CD2 3.6Å; M532-L593 HydrophobicContact SD-CD2 3.57Å; M532-L593 VanDerWaalsContact SD-CD2 3.57Å; M532-A596 HydrophobicContact CG-CB 4.43Å; M532-A596 HydrophobicContact SD-CB 3.66Å
533	L	94	Very high	91.8	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-71.5	-23.7	175.4	-67.9	174.6	0	0	0	112.8	L510 I529 T530 V535 M566 N676 T688	L510-L533 HydrophobicContact CD2-CD1 3.84Å; I529-L533 HydrophobicContact CG2-CD1 3.91Å; I529-L533 HydrophobicContact CG2-CG 4.27Å; I529-L533 WeakPolarHBondContact O-CG 3.5Å; I529-L533 PolarHBondContact O-N 3.31Å; T530-L533 PolarHBondContact O-N 2.96Å; L533-V535 VanDerWaalsContact C-N 3.28Å; L533-V535 PolarHBondContact O-N 2.99Å; L533-M566 HydrophobicContact CD2-CE 4.22Å; L533-M566 HydrophobicContact CD2-SD 3.82Å; L533-N676 HydrophobicContact CD2-CB 4.42Å; L533-T688 HydrophobicContact CD2-CG2 4.19Å
534	S	89	Confident	91.2	Very high	34 Å²	34	36.2 Å²	36.2	24%	0.238	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.8	-179.3	-61.2	0	0	0	0	113.9	L506 T530 S531 M532	L506-S534 WeakPolarHBondContact CD2-OG 3.35Å; T530-S534 WeakPolarHBondContact O-CB 3.41Å; T530-S534 PolarHBondContact O-N 3.39Å; T530-S534 PolarHBondContact O-OG 3.13Å; S531-S534 PolarHBondContact O-N 2.94Å; M532-S534 VanDerWaalsContact C-N 3.28Å; M532-S534 PolarHBondContact O-N 3.3Å
535	V	86.5	Confident	90.7	Very high	20 Å²	20	36.3 Å²	36.3	12%	0.121	20%	0.202	C	C	.	.	S	Bend	trans	-122.5	162.2	-178.3	-62.3	0	0	0	0	111.5	M532 L533 A596 V599	M532-V535 VanDerWaalsContact O-CG2 3.23Å; M532-V535 WeakPolarHBondContact O-CG2 3.09Å; L533-V535 VanDerWaalsContact C-N 3.28Å; L533-V535 PolarHBondContact O-N 2.99Å; V535-A596 HydrophobicContact CG1-CB 4.31Å; V535-A596 HydrophobicContact CG2-CB 3.99Å; V535-V599 HydrophobicContact CG1-CG2 4.31Å
536	P	81.5	Confident	90.3	Very high	64 Å²	64	40.6 Å²	40.6	42%	0.416	22%	0.22	S	C	.	.	S	Bend	trans	-57.4	154.4	174.1	-24	35	0	0	0	112.4	T330 C538 S592	T330-P536 HydrophobicContact CG2-CB 4.02Å; T330-P536 HydrophobicContact CG2-CG 3.69Å; P536-C538 PolarHBondContact O-N 3.09Å; P536-S592 WeakPolarHBondContact O-CB 3.28Å; P536-S592 PolarHBondContact O-OG 3.42Å
537	Q	85.7	Confident	90	Very high	107 Å²	107	48 Å²	48	50%	0.5	25%	0.253	S	S	.	.			trans	-47.2	129.4	-176.3	-169.5	174.4	32.3	0	0	112.5	F539	Q537-F539 HydrophobicContact CG-CB 4.5Å
538	C	90.9	Very high	89.8	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.034	27%	0.271	C	S	.	.	S	Bend	trans	-79.3	-23	-176.9	59	0	0	0	0	113.5	M532 P536 I588 N589	M532-C538 HydrophobicContact CE-CB 3.79Å; P536-C538 PolarHBondContact O-N 3.09Å; C538-I588 HydrophobicContact CB-CG2 4.42Å; C538-I588 CarbonylContact O-C 3.57Å; C538-I588 WeakPolarHBondContact O-CA 3.45Å; C538-N589 PolarHBondContact O-N 3.36Å
539	F	92.1	Very high	89.5	Confident	25 Å²	25	51.2 Å²	51.2	11%	0.11	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-81.5	124.2	178.7	-60	-71.9	0	0	0	111.5	Q537 K553 T565 V569 I588	Q537-F539 HydrophobicContact CG-CB 4.5Å; F539-K553 HydrophobicContact CD1-CB 3.99Å; F539-K553 HydrophobicContact CD1-CD 3.84Å; F539-K553 HydrophobicContact CD1-CG 3.75Å; F539-K553 HydrophobicContact CD2-CD 4.17Å; F539-K553 HydrophobicContact CE1-CB 4.12Å; F539-K553 HydrophobicContact CE1-CD 4.01Å; F539-K553 HydrophobicContact CE1-CG 3.59Å; F539-K553 HydrophobicContact CE2-CD 4.32Å; F539-K553 HydrophobicContact CG-CD 3.93Å; F539-K553 HydrophobicContact CG-CG 4.36Å; F539-K553 HydrophobicContact CZ-CD 4.25Å; F539-K553 HydrophobicContact CZ-CG 4.07Å; F539-T565 HydrophobicContact CZ-CG2 3.86Å; F539-V569 HydrophobicContact CE1-CG2 3.76Å; F539-V569 HydrophobicContact CZ-CG2 3.75Å; F539-I588 HydrophobicContact CD1-CD1 3.73Å; F539-I588 HydrophobicContact CE1-CD1 3.88Å
540	V	87.1	Confident	89.3	Confident	58 Å²	58	54.2 Å²	54.2	35%	0.352	29%	0.288	S	S	.	.			trans	-93.6	123.3	173.7	-175.8	0	0	0	0	108.2	P542 F587 N589	V540-P542 HydrophobicContact CG1-CG 4.12Å; V540-F587 WeakPolarHBondContact CB-O 3.49Å; V540-F587 PolarHBondContact N-O 3.31Å; V540-F587 WeakPolarHBondContact O-CB 3.19Å; V540-N589 HydrophobicContact CG2-CB 3.85Å
541	R	88.1	Confident	89.2	Confident	135 Å²	135	59 Å²	59	51%	0.509	31%	0.311	S	S	.	.			trans	-128.1	77.7	-178.2	-167.4	173.8	-176	-97.5	1.7	111.6	K546 A549 D550	R541-K546 HydrophobicContact CG-CG 4.46Å; R541-A549 HydrophobicContact CB-CB 4.46Å; R541-A549 HydrophobicContact CG-CB 4.16Å; R541-D550 WeakPolarHBondContact CD-OD1 3.15Å; R541-D550 IonicContact CZ-OD1 3.39Å; R541-D550 IonicContact CZ-OD2 2.7Å; R541-D550 IonicContact NE-OD1 3.58Å; R541-D550 PolarHBondContact NE-OD1 3.05Å; R541-D550 IonicContact NE-OD2 2.74Å; R541-D550 PolarHBondContact NE-OD2 3.33Å; R541-D550 IonicContact NH2-OD1 3.69Å; R541-D550 IonicContact NH2-OD2 2.62Å; R541-D550 PolarHBondContact NH2-OD2 3.22Å
542	P	81.2	Confident	89.1	Confident	38 Å²	38	59 Å²	59	25%	0.247	31%	0.311	C	S	.	.			trans	-60.7	143.8	-179.5	-19.7	33.5	0	0	0	111.2	V540 D544 S545 K546 F587	V540-P542 HydrophobicContact CG1-CG 4.12Å; P542-D544 WeakPolarHBondContact CB-OD1 3.3Å; P542-D544 PolarHBondContact O-N 3.19Å; P542-S545 CarbonylContact O-C 3.59Å; P542-S545 PolarHBondContact O-N 2.73Å; P542-K546 WeakPolarHBondContact O-CG 3.38Å; P542-K546 PolarHBondContact O-N 3.5Å; P542-K546 VanDerWaalsContact O-N 3.14Å; P542-F587 HydrophobicContact CG-CD1 4.32Å; P542-F587 HydrophobicContact CG-CE1 4.23Å
543	A	78.1	Confident	89.1	Confident	62 Å²	62	59.8 Å²	59.8	51%	0.512	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.9	-174.7	0	0	0	0	0	113.5	K546	A543-K546 WeakPolarHBondContact O-CE 3.31Å; A543-K546 WeakPolarHBondContact O-CG 3.29Å
544	D	85.2	Confident	89.2	Confident	127 Å²	127	63.2 Å²	63.2	68%	0.679	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-23	178.5	55.8	-53.3	0	0	0	113.3	P542	P542-D544 WeakPolarHBondContact CB-OD1 3.3Å; P542-D544 PolarHBondContact O-N 3.19Å
545	S	88	Confident	89.5	Confident	38 Å²	38	69.6 Å²	69.6	27%	0.266	35%	0.35	S	S	.	.	S	Bend	trans	-125.3	32.9	-173.9	-63.8	0	0	0	0	112.4	P542 K547 T548 A549	P542-S545 CarbonylContact O-C 3.59Å; P542-S545 PolarHBondContact O-N 2.73Å; S545-K547 PolarHBondContact O-N 2.74Å; S545-T548 WeakPolarHBondContact CB-OG1 3.07Å; S545-T548 PolarHBondContact O-N 3.44Å; S545-T548 PolarHBondContact O-OG1 3.39Å; S545-A549 WeakPolarHBondContact O-CB 3.46Å; S545-A549 PolarHBondContact O-N 3.27Å
546	K	89.4	Confident	89.9	Confident	99 Å²	99	69.6 Å²	69.6	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-56.2	-46.9	-176.1	-71.7	178.2	-175.2	177.9	0	112.6	R541 P542 A543 A549 D550	R541-K546 HydrophobicContact CG-CG 4.46Å; P542-K546 WeakPolarHBondContact O-CG 3.38Å; P542-K546 PolarHBondContact O-N 3.5Å; P542-K546 VanDerWaalsContact O-N 3.14Å; A543-K546 WeakPolarHBondContact O-CE 3.31Å; A543-K546 WeakPolarHBondContact O-CG 3.29Å; K546-A549 PolarHBondContact O-N 3.29Å; K546-D550 WeakPolarHBondContact O-CB 3.43Å; K546-D550 PolarHBondContact O-N 3.26Å
547	K	92.6	Very high	90.7	Very high	156 Å²	156	68.1 Å²	68.1	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-64.6	-46.5	-175.7	-170.7	-175.1	177.6	-167	0	112.1	S545 A549 D550 E551	S545-K547 PolarHBondContact O-N 2.74Å; K547-A549 VanDerWaalsContact C-N 3.34Å; K547-A549 PolarHBondContact O-N 3.12Å; K547-D550 PolarHBondContact O-N 3.47Å; K547-E551 VanDerWaalsContact CE-OE1 3.23Å; K547-E551 WeakPolarHBondContact CE-OE1 3.43Å; K547-E551 IonicContact NZ-OE1 3.59Å; K547-E551 WeakPolarHBondContact O-CG 3.26Å; K547-E551 PolarHBondContact O-N 3.47Å
548	T	93.2	Very high	91.2	Very high	64 Å²	64	64.1 Å²	64.1	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-35.8	178.7	51	0	0	0	0	111.8	S545 E551 A552 F587	S545-T548 WeakPolarHBondContact CB-OG1 3.07Å; S545-T548 PolarHBondContact O-N 3.44Å; S545-T548 PolarHBondContact O-OG1 3.39Å; T548-E551 PolarHBondContact O-N 3.06Å; T548-A552 WeakPolarHBondContact O-CB 3.3Å; T548-A552 PolarHBondContact O-N 3.22Å; T548-F587 WeakPolarHBondContact OG1-CZ 3.46Å
549	A	91.8	Very high	91.4	Very high	4 Å²	4	69.3 Å²	69.3	3%	0.033	35%	0.349	C	S	.	.	H	α-helix	trans	-65.1	-41.5	173.4	0	0	0	0	0	112	R541 S545 K546 K547 A552 K553 F587	R541-A549 HydrophobicContact CB-CB 4.46Å; R541-A549 HydrophobicContact CG-CB 4.16Å; S545-A549 WeakPolarHBondContact O-CB 3.46Å; S545-A549 PolarHBondContact O-N 3.27Å; K546-A549 PolarHBondContact O-N 3.29Å; K547-A549 VanDerWaalsContact C-N 3.34Å; K547-A549 PolarHBondContact O-N 3.12Å; A549-A552 PolarHBondContact O-N 3.32Å; A549-K553 WeakPolarHBondContact O-CB 3.31Å; A549-K553 PolarHBondContact O-N 2.71Å; A549-F587 HydrophobicContact CB-CB 4.22Å; A549-F587 HydrophobicContact CB-CD1 3.59Å; A549-F587 HydrophobicContact CB-CE1 4.05Å; A549-F587 HydrophobicContact CB-CG 3.88Å
550	D	92.9	Very high	91.6	Very high	63 Å²	63	69.3 Å²	69.3	34%	0.337	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-42.8	176.4	-66.9	-23.3	0	0	0	110.9	R541 K546 K547 A552 K553 M554	R541-D550 WeakPolarHBondContact CD-OD1 3.15Å; R541-D550 IonicContact CZ-OD1 3.39Å; R541-D550 IonicContact CZ-OD2 2.7Å; R541-D550 IonicContact NE-OD1 3.58Å; R541-D550 PolarHBondContact NE-OD1 3.05Å; R541-D550 IonicContact NE-OD2 2.74Å; R541-D550 PolarHBondContact NE-OD2 3.33Å; R541-D550 IonicContact NH2-OD1 3.69Å; R541-D550 IonicContact NH2-OD2 2.62Å; R541-D550 PolarHBondContact NH2-OD2 3.22Å; K546-D550 WeakPolarHBondContact O-CB 3.43Å; K546-D550 PolarHBondContact O-N 3.26Å; K547-D550 PolarHBondContact O-N 3.47Å; D550-A552 PolarHBondContact O-N 3.4Å; D550-K553 PolarHBondContact O-N 3.38Å; D550-M554 WeakPolarHBondContact O-CG 3.41Å; D550-M554 PolarHBondContact O-N 3.34Å
551	E	94.5	Very high	92.1	Very high	100 Å²	100	66.6 Å²	66.6	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-42.9	173.9	-73.7	170.3	-171.5	0	0	112.4	K547 T548 M554	K547-E551 VanDerWaalsContact CE-OE1 3.23Å; K547-E551 WeakPolarHBondContact CE-OE1 3.43Å; K547-E551 IonicContact NZ-OE1 3.59Å; K547-E551 WeakPolarHBondContact O-CG 3.26Å; K547-E551 PolarHBondContact O-N 3.47Å; T548-E551 PolarHBondContact O-N 3.06Å; E551-M554 PolarHBondContact O-N 3.23Å
552	A	94.7	Very high	92.5	Very high	2 Å²	2	60.5 Å²	60.5	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-42.3	176.2	0	0	0	0	0	111.7	T548 A549 D550 M554 R555 F556 F587	T548-A552 WeakPolarHBondContact O-CB 3.3Å; T548-A552 PolarHBondContact O-N 3.22Å; A549-A552 PolarHBondContact O-N 3.32Å; D550-A552 PolarHBondContact O-N 3.4Å; A552-M554 VanDerWaalsContact C-N 3.32Å; A552-M554 PolarHBondContact O-N 3.44Å; A552-R555 WeakPolarHBondContact O-CB 3.5Å; A552-R555 PolarHBondContact O-N 3.18Å; A552-F556 WeakPolarHBondContact O-CD2 3.45Å; A552-F587 HydrophobicContact CB-CB 4.31Å; A552-F587 HydrophobicContact CB-CD2 3.7Å; A552-F587 HydrophobicContact CB-CG 4.41Å
553	K	94.7	Very high	93.3	Very high	24 Å²	24	58.7 Å²	58.7	10%	0.104	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-42.2	174.4	174.2	170.7	-175.6	-179.4	0	112	F539 A549 D550 R555 F556 A557 S663 V665	F539-K553 HydrophobicContact CD1-CB 3.99Å; F539-K553 HydrophobicContact CD1-CD 3.84Å; F539-K553 HydrophobicContact CD1-CG 3.75Å; F539-K553 HydrophobicContact CD2-CD 4.17Å; F539-K553 HydrophobicContact CE1-CB 4.12Å; F539-K553 HydrophobicContact CE1-CD 4.01Å; F539-K553 HydrophobicContact CE1-CG 3.59Å; F539-K553 HydrophobicContact CE2-CD 4.32Å; F539-K553 HydrophobicContact CG-CD 3.93Å; F539-K553 HydrophobicContact CG-CG 4.36Å; F539-K553 HydrophobicContact CZ-CD 4.25Å; F539-K553 HydrophobicContact CZ-CG 4.07Å; A549-K553 WeakPolarHBondContact O-CB 3.31Å; A549-K553 PolarHBondContact O-N 2.71Å; D550-K553 PolarHBondContact O-N 3.38Å; K553-R555 PolarHBondContact O-N 2.82Å; K553-F556 PolarHBondContact O-N 3.41Å; K553-A557 PolarHBondContact O-N 2.98Å; K553-S663 PolarHBondContact NZ-O 2.93Å; K553-V665 HydrophobicContact CD-CG1 4.49Å; K553-V665 HydrophobicContact CG-CG1 4.38Å
554	M	95.1	Very high	94.2	Very high	103 Å²	103	55.7 Å²	55.7	51%	0.507	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-19.9	-179.4	-72.4	-53.8	-64.5	0	0	113.7	D550 E551 A552 F556 A557 V665	D550-M554 WeakPolarHBondContact O-CG 3.41Å; D550-M554 PolarHBondContact O-N 3.34Å; E551-M554 PolarHBondContact O-N 3.23Å; A552-M554 VanDerWaalsContact C-N 3.32Å; A552-M554 PolarHBondContact O-N 3.44Å; M554-F556 PolarHBondContact O-N 3.4Å; M554-A557 HydrophobicContact CE-CB 3.71Å; M554-A557 WeakPolarHBondContact O-CB 3.4Å; M554-A557 PolarHBondContact O-N 2.93Å; M554-A557 HydrophobicContact SD-CB 3.96Å; M554-V665 HydrophobicContact SD-CB 4.45Å; M554-V665 HydrophobicContact SD-CG1 4.47Å
555	R	95.3	Very high	94.8	Very high	168 Å²	168	49.7 Å²	49.7	63%	0.634	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.2	172.7	-59.9	177	-174.3	164.8	0.5	113.2	A552 K553 N586	A552-R555 WeakPolarHBondContact O-CB 3.5Å; A552-R555 PolarHBondContact O-N 3.18Å; K553-R555 PolarHBondContact O-N 2.82Å; R555-N586 PolarHBondContact NH1-OD1 2.67Å; R555-N586 VanDerWaalsContact NH1-OD1 3.14Å
556	F	96.7	Very high	95.2	Very high	20 Å²	20	48.9 Å²	48.9	9%	0.088	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-5.7	179.1	-53.2	-75.4	0	0	0	112.8	A552 K553 M554 H558 T565 N568 V569 A572 W582 N586 I588	A552-F556 WeakPolarHBondContact O-CD2 3.45Å; K553-F556 PolarHBondContact O-N 3.41Å; M554-F556 PolarHBondContact O-N 3.4Å; F556-H558 PolarHBondContact O-N 3.01Å; F556-T565 HydrophobicContact CB-CG2 4.18Å; F556-T565 WeakPolarHBondContact O-CG2 3.36Å; F556-N568 HydrophobicContact CB-CB 4.24Å; F556-N568 PolarHBondContact O-ND2 3.26Å; F556-V569 HydrophobicContact CB-CG2 3.69Å; F556-V569 HydrophobicContact CD1-CG2 4.13Å; F556-V569 HydrophobicContact CD2-CG2 3.91Å; F556-V569 HydrophobicContact CG-CG2 3.63Å; F556-A572 HydrophobicContact CD1-CB 4.21Å; F556-A572 HydrophobicContact CE1-CB 3.64Å; F556-W582 HydrophobicContact CE1-CH2 4.07Å; F556-W582 AromaticContact CE1-CZ2 3.76Å; F556-W582 HydrophobicContact CE1-CZ2 3.76Å; F556-W582 AromaticContact CZ-CH2 3.88Å; F556-W582 HydrophobicContact CZ-CH2 3.88Å; F556-W582 AromaticContact CZ-CZ2 3.59Å; F556-W582 HydrophobicContact CZ-CZ2 3.59Å; F556-N586 HydrophobicContact CE2-CB 4.07Å; F556-N586 HydrophobicContact CZ-CB 4.08Å; F556-I588 HydrophobicContact CE2-CD1 4.3Å; F556-I588 HydrophobicContact CE2-CG1 4.43Å
557	A	96.8	Very high	95.6	Very high	33 Å²	33	44.2 Å²	44.2	27%	0.273	22%	0.215	S	C	.	.			trans	-58.5	125.4	-174	0	0	0	0	0	110.9	K553 M554 V665	K553-A557 PolarHBondContact O-N 2.98Å; M554-A557 HydrophobicContact CE-CB 3.71Å; M554-A557 WeakPolarHBondContact O-CB 3.4Å; M554-A557 PolarHBondContact O-N 2.93Å; M554-A557 HydrophobicContact SD-CB 3.96Å; A557-V665 HydrophobicContact CB-CB 3.8Å; A557-V665 HydrophobicContact CB-CG1 3.92Å; A557-V665 HydrophobicContact CB-CG2 4.32Å
558	H	97	Very high	95.9	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.102	19%	0.192	C	C	.	.			trans	-98.9	135.8	170.2	-168.7	-78.4	0	0	0	109.5	F556 D560 G561 L564 T565 Y625	F556-H558 PolarHBondContact O-N 3.01Å; H558-D560 IonicContact CE1-OD2 2.88Å; H558-D560 PolarHBondContact ND1-N 2.99Å; H558-D560 PolarHBondContact O-N 3.39Å; H558-G561 PolarHBondContact O-N 2.83Å; H558-L564 HydrophobicContact CB-CB 3.61Å; H558-L564 VanDerWaalsContact CE1-CD1 3.46Å; H558-L564 WeakPolarHBondContact CE1-CD1 3.3Å; H558-L564 WeakPolarHBondContact ND1-CD1 3.44Å; H558-T565 PolarHBondContact N-OG1 3.47Å; H558-Y625 AromaticContact CD2-CE1 3.62Å; H558-Y625 AromaticContact CD2-CZ 3.79Å; H558-Y625 AromaticContact NE2-CD1 3.45Å; H558-Y625 WeakPolarHBondContact NE2-CD1 3.38Å; H558-Y625 AromaticContact NE2-CD2 3.72Å; H558-Y625 AromaticContact NE2-CE1 3.32Å; H558-Y625 VanDerWaalsContact NE2-CE1 3.32Å; H558-Y625 WeakPolarHBondContact NE2-CE1 3.27Å; H558-Y625 AromaticContact NE2-CE2 3.6Å; H558-Y625 AromaticContact NE2-CG 3.63Å; H558-Y625 AromaticContact NE2-CZ 3.38Å
559	I	95.6	Very high	96.1	Very high	114 Å²	114	35.6 Å²	35.6	59%	0.585	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.3	-176.1	-167.5	168.4	0	0	0	113.3	G561 M666	I559-G561 VanDerWaalsContact C-N 3.35Å; I559-M666 VanDerWaalsContact O-SD 3.4Å
560	D	95.9	Very high	96.4	Very high	26 Å²	26	35.8 Å²	35.8	14%	0.139	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.3	178.3	-64.4	-25.2	0	0	0	114.1	H558 L564 R629 T690 E691	H558-D560 IonicContact CE1-OD2 2.88Å; H558-D560 PolarHBondContact ND1-N 2.99Å; H558-D560 PolarHBondContact O-N 3.39Å; D560-L564 HydrophobicContact CB-CD1 3.92Å; D560-R629 IonicContact OD1-CZ 3.85Å; D560-R629 IonicContact OD1-NH1 3.68Å; D560-R629 PolarHBondContact OD1-NH1 3.42Å; D560-R629 VanDerWaalsContact OD1-NH1 3.17Å; D560-R629 WeakPolarHBondContact OD2-CD 3.37Å; D560-R629 IonicContact OD2-CZ 3.98Å; D560-R629 IonicContact OD2-NE 2.9Å; D560-R629 IonicContact OD2-NH1 3.01Å; D560-R629 PolarHBondContact OD2-NH1 3.15Å; D560-T690 CarbonylContact O-C 3.53Å; D560-T690 WeakPolarHBondContact O-CA 3.32Å; D560-T690 WeakPolarHBondContact O-CG2 3.46Å; D560-E691 PolarHBondContact O-N 3.28Å
561	G	96.5	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	127.3	-165.3	165.2	0	0	0	0	0	118.8	H558 I559 T565 M666 V689	H558-G561 PolarHBondContact O-N 2.83Å; I559-G561 VanDerWaalsContact C-N 3.35Å; G561-T565 PolarHBondContact O-N 2.53Å; G561-T565 VanDerWaalsContact O-N 3.12Å; G561-T565 PolarHBondContact O-OG1 3.32Å; G561-M666 WeakPolarHBondContact CA-SD 3.29Å; G561-V689 CarbonylContact C-O 3.54Å; G561-V689 WeakPolarHBondContact CA-O 3.46Å
562	D	97.4	Very high	96.7	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-73.5	-34.2	-161.2	-66.2	-49.4	0	0	0	113.7	L564 T565 M566 T664 V665 T688 V689	D562-L564 VanDerWaalsContact C-N 3.35Å; D562-L564 PolarHBondContact O-N 2.96Å; D562-T565 WeakPolarHBondContact O-CB 3.46Å; D562-T565 PolarHBondContact O-N 3.03Å; D562-M566 WeakPolarHBondContact O-CG 3.4Å; D562-M566 PolarHBondContact O-N 3.46Å; D562-T664 WeakPolarHBondContact OD1-CA 3.39Å; D562-T664 PolarHBondContact OD1-OG1 3.09Å; D562-T664 WeakPolarHBondContact OD2-CB 3.43Å; D562-T664 PolarHBondContact OD2-OG1 3.01Å; D562-V665 PolarHBondContact OD1-N 2.86Å; D562-T688 HydrophobicContact CB-CG2 3.86Å; D562-T688 WeakPolarHBondContact OD2-CA 3.18Å; D562-V689 PolarHBondContact N-O 3Å; D562-V689 PolarHBondContact OD2-N 3.45Å
563	H	98	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-42.6	178.6	-64.6	91.4	0	0	0	111.6	I529 T565 M566 L567 L632 T688 T690	I529-H563 HydrophobicContact CG2-CB 4.34Å; H563-T565 VanDerWaalsContact C-N 3.33Å; H563-M566 WeakPolarHBondContact O-CB 3.32Å; H563-M566 PolarHBondContact O-N 2.81Å; H563-L567 PolarHBondContact O-N 3.35Å; H563-L567 VanDerWaalsContact O-N 3.07Å; H563-L632 HydrophobicContact CB-CD1 3.76Å; H563-L632 HydrophobicContact CB-CD2 4.44Å; H563-T688 PolarHBondContact CE1-O 2.87Å; H563-T688 VanDerWaalsContact CE1-O 3.25Å; H563-T690 PolarHBondContact N-OG1 3.27Å; H563-T690 WeakPolarHBondContact ND1-CB 3.33Å; H563-T690 PolarHBondContact ND1-OG1 2.86Å
564	L	98	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.5	-31.5	175.9	-64.7	177	0	0	0	111.6	H558 D560 D562 M566 L567 N568 Y625 I628 R629	H558-L564 HydrophobicContact CB-CB 3.61Å; H558-L564 VanDerWaalsContact CE1-CD1 3.46Å; H558-L564 WeakPolarHBondContact CE1-CD1 3.3Å; H558-L564 WeakPolarHBondContact ND1-CD1 3.44Å; D560-L564 HydrophobicContact CB-CD1 3.92Å; D562-L564 VanDerWaalsContact C-N 3.35Å; D562-L564 PolarHBondContact O-N 2.96Å; L564-M566 VanDerWaalsContact C-N 3.34Å; L564-L567 HydrophobicContact CD2-CD2 4.29Å; L564-L567 WeakPolarHBondContact O-CB 3.45Å; L564-L567 PolarHBondContact O-N 3.24Å; L564-N568 VanDerWaalsContact O-CG 3.31Å; L564-N568 PolarHBondContact O-N 3.37Å; L564-Y625 HydrophobicContact CD1-CD1 3.85Å; L564-Y625 HydrophobicContact CD1-CG 4.45Å; L564-Y625 HydrophobicContact CD2-CD1 3.94Å; L564-Y625 HydrophobicContact CD2-CE1 4.49Å; L564-Y625 HydrophobicContact CG-CD1 4.44Å; L564-I628 HydrophobicContact CD2-CB 4.11Å; L564-I628 HydrophobicContact CD2-CD1 4.02Å; L564-I628 HydrophobicContact CD2-CG2 3.62Å; L564-R629 HydrophobicContact CD1-CG 4.22Å
565	T	97.8	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-43	170	-57	0	0	0	0	111.2	F539 F556 H558 G561 D562 H563 L567 N568 V569 V665	F539-T565 HydrophobicContact CZ-CG2 3.86Å; F556-T565 HydrophobicContact CB-CG2 4.18Å; F556-T565 WeakPolarHBondContact O-CG2 3.36Å; H558-T565 PolarHBondContact N-OG1 3.47Å; G561-T565 PolarHBondContact O-N 2.53Å; G561-T565 VanDerWaalsContact O-N 3.12Å; G561-T565 PolarHBondContact O-OG1 3.32Å; D562-T565 WeakPolarHBondContact O-CB 3.46Å; D562-T565 PolarHBondContact O-N 3.03Å; H563-T565 VanDerWaalsContact C-N 3.33Å; T565-L567 VanDerWaalsContact C-N 3.32Å; T565-L567 PolarHBondContact O-N 2.65Å; T565-N568 WeakPolarHBondContact O-CB 3.33Å; T565-N568 PolarHBondContact O-N 3.03Å; T565-V569 WeakPolarHBondContact O-CG2 3.47Å; T565-V569 PolarHBondContact O-N 3.39Å; T565-V665 HydrophobicContact CG2-CG1 3.92Å; T565-V665 VanDerWaalsContact OG1-CG2 3.31Å; T565-V665 WeakPolarHBondContact OG1-CG2 3.41Å
566	M	96.6	Very high	97	Very high	22 Å²	22	30.5 Å²	30.5	11%	0.108	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-38.8	174.7	-68.4	-179.9	-171.1	0	0	112	M532 L533 D562 H563 L564 V569 Y570 T688	M532-M566 HydrophobicContact CB-CB 4.25Å; M532-M566 HydrophobicContact CB-SD 4.4Å; M532-M566 HydrophobicContact CE-CB 4.39Å; L533-M566 HydrophobicContact CD2-CE 4.22Å; L533-M566 HydrophobicContact CD2-SD 3.82Å; D562-M566 WeakPolarHBondContact O-CG 3.4Å; D562-M566 PolarHBondContact O-N 3.46Å; H563-M566 WeakPolarHBondContact O-CB 3.32Å; H563-M566 PolarHBondContact O-N 2.81Å; L564-M566 VanDerWaalsContact C-N 3.34Å; M566-V569 PolarHBondContact O-N 3.44Å; M566-Y570 PolarHBondContact O-N 2.61Å; M566-T688 HydrophobicContact CE-CG2 3.47Å; M566-T688 VanDerWaalsContact CE-CG2 3.47Å; M566-T688 HydrophobicContact SD-CG2 4.29Å
567	L	97.7	Very high	96.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-45.3	173.7	-177.3	65.2	0	0	0	111.4	E525 I529 H563 L564 T565 V569 Y570 H571 I628	E525-L567 HydrophobicContact CB-CD1 4.1Å; E525-L567 HydrophobicContact CB-CD2 3.88Å; E525-L567 HydrophobicContact CG-CD1 4.32Å; E525-L567 HydrophobicContact CG-CD2 3.86Å; I529-L567 HydrophobicContact CD1-CB 4.31Å; I529-L567 HydrophobicContact CD1-CD2 4.45Å; I529-L567 HydrophobicContact CG1-CB 4.01Å; I529-L567 HydrophobicContact CG1-CD1 4.33Å; H563-L567 PolarHBondContact O-N 3.35Å; H563-L567 VanDerWaalsContact O-N 3.07Å; L564-L567 HydrophobicContact CD2-CD2 4.29Å; L564-L567 WeakPolarHBondContact O-CB 3.45Å; L564-L567 PolarHBondContact O-N 3.24Å; T565-L567 VanDerWaalsContact C-N 3.32Å; T565-L567 PolarHBondContact O-N 2.65Å; L567-V569 PolarHBondContact O-N 3.02Å; L567-Y570 PolarHBondContact O-N 2.74Å; L567-H571 WeakPolarHBondContact CD1-NE2 3.43Å; L567-H571 PolarHBondContact O-N 2.82Å; L567-I628 HydrophobicContact CD2-CD1 3.9Å
568	N	97.8	Very high	96.7	Very high	39 Å²	39	38.5 Å²	38.5	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-44.7	176.7	-71.4	-14.5	0	0	0	112.1	F556 L564 T565 Y570 H571 A572	F556-N568 HydrophobicContact CB-CB 4.24Å; F556-N568 PolarHBondContact O-ND2 3.26Å; L564-N568 VanDerWaalsContact O-CG 3.31Å; L564-N568 PolarHBondContact O-N 3.37Å; T565-N568 WeakPolarHBondContact O-CB 3.33Å; T565-N568 PolarHBondContact O-N 3.03Å; N568-Y570 VanDerWaalsContact C-N 3.33Å; N568-Y570 PolarHBondContact O-N 2.68Å; N568-H571 PolarHBondContact O-N 3.1Å; N568-A572 VanDerWaalsContact O-CB 3.31Å; N568-A572 WeakPolarHBondContact O-CB 3.48Å; N568-A572 PolarHBondContact O-N 3.04Å
569	V	97.6	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-45.7	175.4	173.8	0	0	0	0	110.6	M532 F539 F556 T565 M566 L567 A572 F573 I588 L593	M532-V569 HydrophobicContact CE-CG1 4.33Å; F539-V569 HydrophobicContact CE1-CG2 3.76Å; F539-V569 HydrophobicContact CZ-CG2 3.75Å; F556-V569 HydrophobicContact CB-CG2 3.69Å; F556-V569 HydrophobicContact CD1-CG2 4.13Å; F556-V569 HydrophobicContact CD2-CG2 3.91Å; F556-V569 HydrophobicContact CG-CG2 3.63Å; T565-V569 WeakPolarHBondContact O-CG2 3.47Å; T565-V569 PolarHBondContact O-N 3.39Å; M566-V569 PolarHBondContact O-N 3.44Å; L567-V569 PolarHBondContact O-N 3.02Å; V569-A572 PolarHBondContact O-N 3.2Å; V569-F573 WeakPolarHBondContact O-CB 3.39Å; V569-F573 PolarHBondContact O-N 2.94Å; V569-I588 HydrophobicContact CG1-CD1 3.98Å; V569-I588 HydrophobicContact CG1-CG1 4.26Å; V569-I588 HydrophobicContact CG1-CG2 3.92Å; V569-I588 HydrophobicContact CG2-CD1 4.3Å; V569-L593 HydrophobicContact CG1-CD1 4.39Å; V569-L593 HydrophobicContact CG1-CD2 4.14Å
570	Y	97.4	Very high	96.3	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-45.5	-180	-174.5	-96.5	0	0	0	112.1	M532 M566 L567 N568 F573 K574 L593 A596 D597 R600	M532-Y570 HydrophobicContact CG-CD2 4.2Å; M532-Y570 HydrophobicContact CG-CG 4.45Å; M532-Y570 HydrophobicContact SD-CD2 3.84Å; M532-Y570 HydrophobicContact SD-CG 4.46Å; M566-Y570 PolarHBondContact O-N 2.61Å; L567-Y570 PolarHBondContact O-N 2.74Å; N568-Y570 VanDerWaalsContact C-N 3.33Å; N568-Y570 PolarHBondContact O-N 2.68Å; Y570-F573 PolarHBondContact O-N 3.5Å; Y570-K574 HydrophobicContact CD1-CG 4.39Å; Y570-K574 HydrophobicContact CE1-CG 3.93Å; Y570-K574 WeakPolarHBondContact O-CG 3.39Å; Y570-K574 PolarHBondContact O-N 2.92Å; Y570-K574 VanDerWaalsContact O-N 3.12Å; Y570-L593 HydrophobicContact CD2-CD2 4.42Å; Y570-A596 HydrophobicContact CE2-CB 4.43Å; Y570-D597 HydrophobicContact CE2-CB 4.46Å; Y570-D597 PolarHBondContact OH-OD1 3.42Å; Y570-R600 WeakPolarHBondContact OH-CD 3.35Å
571	H	97	Very high	96.2	Very high	57 Å²	57	42.3 Å²	42.3	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-61.4	-46.8	175.8	-72.1	172.1	0	0	0	111.8	L567 N568 F573 K574 Q575	L567-H571 WeakPolarHBondContact CD1-NE2 3.43Å; L567-H571 PolarHBondContact O-N 2.82Å; N568-H571 PolarHBondContact O-N 3.1Å; H571-F573 VanDerWaalsContact C-N 3.31Å; H571-F573 PolarHBondContact O-N 2.78Å; H571-K574 PolarHBondContact O-N 2.78Å; H571-Q575 WeakPolarHBondContact O-CB 2.87Å; H571-Q575 VanDerWaalsContact O-CG 3.28Å; H571-Q575 WeakPolarHBondContact O-CG 3.47Å; H571-Q575 PolarHBondContact O-N 2.88Å
572	A	97.3	Very high	96.2	Very high	14 Å²	14	43.6 Å²	43.6	12%	0.116	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-39.9	178.9	0	0	0	0	0	111.6	F556 N568 V569 K574 Q575 N576 W582	F556-A572 HydrophobicContact CD1-CB 4.21Å; F556-A572 HydrophobicContact CE1-CB 3.64Å; N568-A572 VanDerWaalsContact O-CB 3.31Å; N568-A572 WeakPolarHBondContact O-CB 3.48Å; N568-A572 PolarHBondContact O-N 3.04Å; V569-A572 PolarHBondContact O-N 3.2Å; A572-K574 PolarHBondContact O-N 2.94Å; A572-Q575 PolarHBondContact O-N 3.47Å; A572-N576 WeakPolarHBondContact O-CB 3.44Å; A572-N576 PolarHBondContact O-N 3.4Å; A572-N576 PolarHBondContact O-ND2 3.13Å; A572-W582 HydrophobicContact CB-CH2 3.79Å; A572-W582 HydrophobicContact CB-CZ2 3.53Å
573	F	96.9	Very high	96	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-46.1	174.8	175.1	-118.5	0	0	0	113	V569 Y570 H571 N576 E578 W582 F590 L593 K594	V569-F573 WeakPolarHBondContact O-CB 3.39Å; V569-F573 PolarHBondContact O-N 2.94Å; Y570-F573 PolarHBondContact O-N 3.5Å; H571-F573 VanDerWaalsContact C-N 3.31Å; H571-F573 PolarHBondContact O-N 2.78Å; F573-N576 CarbonylContact O-C 3.55Å; F573-N576 PolarHBondContact O-N 2.97Å; F573-E578 HydrophobicContact CD1-CG 4.26Å; F573-E578 HydrophobicContact CE1-CB 4.01Å; F573-E578 HydrophobicContact CE1-CG 3.67Å; F573-E578 HydrophobicContact CE2-CB 3.87Å; F573-E578 HydrophobicContact CE2-CG 4.39Å; F573-E578 HydrophobicContact CZ-CB 3.52Å; F573-E578 HydrophobicContact CZ-CG 3.76Å; F573-E578 PolarHBondContact O-N 3.26Å; F573-W582 HydrophobicContact CB-CH2 4.3Å; F573-W582 HydrophobicContact CB-CZ3 3.84Å; F573-W582 HydrophobicContact CD2-CE3 4.2Å; F573-W582 HydrophobicContact CD2-CZ3 4.09Å; F573-W582 HydrophobicContact CG-CZ3 4.49Å; F573-F590 AromaticContact CE2-CD2 3.79Å; F573-F590 HydrophobicContact CE2-CD2 3.79Å; F573-F590 AromaticContact CE2-CE2 3.93Å; F573-F590 HydrophobicContact CE2-CE2 3.93Å; F573-F590 HydrophobicContact CZ-CD2 4.11Å; F573-F590 AromaticContact CZ-CE2 3.98Å; F573-F590 HydrophobicContact CZ-CE2 3.98Å; F573-L593 HydrophobicContact CB-CD1 3.68Å; F573-L593 HydrophobicContact CB-CD2 4.48Å; F573-L593 HydrophobicContact CD1-CB 3.81Å; F573-L593 HydrophobicContact CD1-CD1 4.04Å; F573-L593 HydrophobicContact CD1-CD2 4.46Å; F573-L593 HydrophobicContact CD1-CG 4.36Å; F573-L593 HydrophobicContact CD2-CB 4.33Å; F573-L593 HydrophobicContact CD2-CD1 3.55Å; F573-L593 HydrophobicContact CE1-CB 3.68Å; F573-L593 HydrophobicContact CE2-CB 4.2Å; F573-L593 HydrophobicContact CE2-CD1 4.08Å; F573-L593 HydrophobicContact CG-CB 4.13Å; F573-L593 HydrophobicContact CG-CD1 3.51Å; F573-L593 HydrophobicContact CG-CG 4.3Å; F573-L593 HydrophobicContact CZ-CB 3.87Å; F573-K594 HydrophobicContact CZ-CD 4.31Å; F573-K594 HydrophobicContact CZ-CG 4.36Å
574	K	96.5	Very high	95.7	Very high	73 Å²	73	51.9 Å²	51.9	32%	0.317	25%	0.248	S	C	.	.	H	α-helix	trans	-68.7	-36.2	178.6	-63.2	-62	-66.6	-168.8	0	111.9	Y570 H571 A572 N576 H577 E578 D597	Y570-K574 HydrophobicContact CD1-CG 4.39Å; Y570-K574 HydrophobicContact CE1-CG 3.93Å; Y570-K574 WeakPolarHBondContact O-CG 3.39Å; Y570-K574 PolarHBondContact O-N 2.92Å; Y570-K574 VanDerWaalsContact O-N 3.12Å; H571-K574 PolarHBondContact O-N 2.78Å; A572-K574 PolarHBondContact O-N 2.94Å; K574-N576 VanDerWaalsContact C-N 3.33Å; K574-H577 PolarHBondContact O-N 3.39Å; K574-E578 HydrophobicContact CD-CG 4.29Å; K574-E578 WeakPolarHBondContact CE-OE1 3.47Å; K574-E578 IonicContact NZ-OE1 3.2Å; K574-E578 PolarHBondContact NZ-OE1 2.95Å; K574-D597 IonicContact NZ-OD1 2.73Å; K574-D597 PolarHBondContact NZ-OD1 3Å; K574-D597 IonicContact NZ-OD2 2.77Å; K574-D597 PolarHBondContact NZ-OD2 3.21Å
575	Q	96.3	Very high	95.4	Very high	142 Å²	142	56.1 Å²	56.1	66%	0.664	27%	0.27	S	S	*	.	H	α-helix	trans	-67.2	-33.1	175.5	-73.3	172.5	-2.3	0	0	112.5	H571 A572 H577	H571-Q575 WeakPolarHBondContact O-CB 2.87Å; H571-Q575 VanDerWaalsContact O-CG 3.28Å; H571-Q575 WeakPolarHBondContact O-CG 3.47Å; H571-Q575 PolarHBondContact O-N 2.88Å; A572-Q575 PolarHBondContact O-N 3.47Å; Q575-H577 PolarHBondContact O-N 2.89Å
576	N	96.4	Very high	95.3	Very high	64 Å²	64	57 Å²	57	34%	0.342	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	28.1	174.5	-69.1	-84.4	0	0	0	112.4	A572 F573 K574 E578 D579 W582	A572-N576 WeakPolarHBondContact O-CB 3.44Å; A572-N576 PolarHBondContact O-N 3.4Å; A572-N576 PolarHBondContact O-ND2 3.13Å; F573-N576 CarbonylContact O-C 3.55Å; F573-N576 PolarHBondContact O-N 2.97Å; K574-N576 VanDerWaalsContact C-N 3.33Å; N576-E578 PolarHBondContact O-N 2.86Å; N576-D579 VanDerWaalsContact O-CB 3.28Å; N576-D579 WeakPolarHBondContact O-CB 3.25Å; N576-D579 PolarHBondContact O-N 3.43Å; N576-D579 VanDerWaalsContact O-N 3.07Å; N576-W582 HydrophobicContact CB-CB 4.3Å; N576-W582 HydrophobicContact CB-CD2 4.02Å; N576-W582 HydrophobicContact CB-CG 3.77Å; N576-W582 PolarHBondContact ND2-NE1 3.49Å
577	H	94.9	Very high	95.1	Very high	169 Å²	169	58.3 Å²	58.3	78%	0.782	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	32.2	172.6	-54	-62.4	0	0	0	115.3	K574 Q575 D579	K574-H577 PolarHBondContact O-N 3.39Å; Q575-H577 PolarHBondContact O-N 2.89Å; H577-D579 PolarHBondContact O-N 2.78Å
578	E	92.8	Very high	94.9	Very high	52 Å²	52	58.6 Å²	58.6	24%	0.243	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	36.5	179.6	-51.9	163.1	-157	0	0	112.6	F573 K574 N576 P580 F590 K594	F573-E578 HydrophobicContact CD1-CG 4.26Å; F573-E578 HydrophobicContact CE1-CB 4.01Å; F573-E578 HydrophobicContact CE1-CG 3.67Å; F573-E578 HydrophobicContact CE2-CB 3.87Å; F573-E578 HydrophobicContact CE2-CG 4.39Å; F573-E578 HydrophobicContact CZ-CB 3.52Å; F573-E578 HydrophobicContact CZ-CG 3.76Å; F573-E578 PolarHBondContact O-N 3.26Å; K574-E578 HydrophobicContact CD-CG 4.29Å; K574-E578 WeakPolarHBondContact CE-OE1 3.47Å; K574-E578 IonicContact NZ-OE1 3.2Å; K574-E578 PolarHBondContact NZ-OE1 2.95Å; N576-E578 PolarHBondContact O-N 2.86Å; E578-P580 WeakPolarHBondContact O-CD 3.41Å; E578-F590 VanDerWaalsContact O-CE2 3.26Å; E578-F590 WeakPolarHBondContact O-CE2 3.35Å; E578-K594 IonicContact OE2-NZ 2.65Å; E578-K594 PolarHBondContact OE2-NZ 3.08Å
579	D	93	Very high	94.5	Very high	67 Å²	67	59.3 Å²	59.3	36%	0.358	29%	0.285	S	S	.	.			trans	-70.6	120.5	-178.2	176.2	22.5	0	0	0	112.2	N576 H577 Q581 W582 C583	N576-D579 VanDerWaalsContact O-CB 3.28Å; N576-D579 WeakPolarHBondContact O-CB 3.25Å; N576-D579 PolarHBondContact O-N 3.43Å; N576-D579 VanDerWaalsContact O-N 3.07Å; H577-D579 PolarHBondContact O-N 2.78Å; D579-Q581 VanDerWaalsContact C-N 3.26Å; D579-Q581 PolarHBondContact O-N 2.91Å; D579-Q581 PolarHBondContact OD1-N 3.2Å; D579-W582 HydrophobicContact CB-CB 3.87Å; D579-W582 PolarHBondContact O-N 3.11Å; D579-W582 PolarHBondContact OD2-N 3.09Å; D579-C583 PolarHBondContact O-N 2.88Å
580	P	91.4	Very high	94.1	Very high	73 Å²	73	62.1 Å²	62.1	47%	0.474	30%	0.298	S	S	.	.	H	α-helix	trans	-59.6	-33.2	173.6	-22.1	32.8	0	0	0	113.8	E578 C583 Y584 F590	E578-P580 WeakPolarHBondContact O-CD 3.41Å; P580-C583 WeakPolarHBondContact O-CB 3.4Å; P580-C583 PolarHBondContact O-N 3.31Å; P580-Y584 PolarHBondContact O-N 2.79Å; P580-Y584 VanDerWaalsContact O-N 3.11Å; P580-F590 HydrophobicContact CB-CD2 4.29Å; P580-F590 HydrophobicContact CB-CE2 4.35Å; P580-F590 HydrophobicContact CB-CG 4.42Å; P580-F590 HydrophobicContact CB-CZ 4.5Å; P580-F590 HydrophobicContact CG-CD2 4.29Å; P580-F590 HydrophobicContact CG-CE1 4.22Å; P580-F590 HydrophobicContact CG-CE2 3.85Å; P580-F590 HydrophobicContact CG-CZ 3.79Å
581	Q	93.3	Very high	93.4	Very high	101 Å²	101	66.4 Å²	66.4	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-70.7	-45	-179.8	-173.3	60.9	40.4	0	0	110.6	D579 C583 Y584 D585	D579-Q581 VanDerWaalsContact C-N 3.26Å; D579-Q581 PolarHBondContact O-N 2.91Å; D579-Q581 PolarHBondContact OD1-N 3.2Å; Q581-C583 PolarHBondContact O-N 2.98Å; Q581-Y584 WeakPolarHBondContact O-CA 3.47Å; Q581-Y584 WeakPolarHBondContact O-CB 3.42Å; Q581-Y584 PolarHBondContact O-N 2.84Å; Q581-D585 PolarHBondContact NE2-OD1 2.91Å; Q581-D585 PolarHBondContact O-N 3.46Å
582	W	96.1	Very high	92.9	Very high	28 Å²	28	63.9 Å²	63.9	11%	0.106	30%	0.303	C	S	.	.	H	α-helix	trans	-52.5	-41.3	171	179.2	89.5	0	0	0	112.8	F556 A572 F573 N576 D579 N586 I588 L593	F556-W582 HydrophobicContact CE1-CH2 4.07Å; F556-W582 AromaticContact CE1-CZ2 3.76Å; F556-W582 HydrophobicContact CE1-CZ2 3.76Å; F556-W582 AromaticContact CZ-CH2 3.88Å; F556-W582 HydrophobicContact CZ-CH2 3.88Å; F556-W582 AromaticContact CZ-CZ2 3.59Å; F556-W582 HydrophobicContact CZ-CZ2 3.59Å; A572-W582 HydrophobicContact CB-CH2 3.79Å; A572-W582 HydrophobicContact CB-CZ2 3.53Å; F573-W582 HydrophobicContact CB-CH2 4.3Å; F573-W582 HydrophobicContact CB-CZ3 3.84Å; F573-W582 HydrophobicContact CD2-CE3 4.2Å; F573-W582 HydrophobicContact CD2-CZ3 4.09Å; F573-W582 HydrophobicContact CG-CZ3 4.49Å; N576-W582 HydrophobicContact CB-CB 4.3Å; N576-W582 HydrophobicContact CB-CD2 4.02Å; N576-W582 HydrophobicContact CB-CG 3.77Å; N576-W582 PolarHBondContact ND2-NE1 3.49Å; D579-W582 HydrophobicContact CB-CB 3.87Å; D579-W582 PolarHBondContact O-N 3.11Å; D579-W582 PolarHBondContact OD2-N 3.09Å; W582-N586 PolarHBondContact NE1-ND2 2.79Å; W582-N586 WeakPolarHBondContact O-CB 3.32Å; W582-N586 PolarHBondContact O-N 3.1Å; W582-N586 VanDerWaalsContact O-N 3.16Å; W582-N586 PolarHBondContact O-ND2 2.86Å; W582-I588 HydrophobicContact CZ3-CG1 4.5Å; W582-L593 HydrophobicContact CZ3-CD1 4.39Å
583	C	93.4	Very high	92.7	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-44.2	175.3	-76.3	0	0	0	0	112.2	D579 P580 Q581 N586 F587 I588 F590	D579-C583 PolarHBondContact O-N 2.88Å; P580-C583 WeakPolarHBondContact O-CB 3.4Å; P580-C583 PolarHBondContact O-N 3.31Å; Q581-C583 PolarHBondContact O-N 2.98Å; C583-N586 PolarHBondContact O-N 2.85Å; C583-F587 PolarHBondContact O-N 3.11Å; C583-I588 CarbonylContact C-O 3.44Å; C583-I588 HydrophobicContact CB-CB 4.5Å; C583-I588 WeakPolarHBondContact CB-O 3.43Å; C583-I588 PolarHBondContact O-N 2.79Å; C583-F590 HydrophobicContact CB-CB 3.87Å; C583-F590 HydrophobicContact CB-CD2 4.47Å
584	Y	90.4	Very high	92.4	Very high	179 Å²	179	66.5 Å²	66.5	70%	0.702	31%	0.312	S	S	*	.	H	α-helix	trans	-60.5	-49.5	176.7	-177.7	-94.1	0	0	0	111.5	P580 Q581 N586 F587	P580-Y584 PolarHBondContact O-N 2.79Å; P580-Y584 VanDerWaalsContact O-N 3.11Å; Q581-Y584 WeakPolarHBondContact O-CA 3.47Å; Q581-Y584 WeakPolarHBondContact O-CB 3.42Å; Q581-Y584 PolarHBondContact O-N 2.84Å; Y584-N586 PolarHBondContact O-N 2.82Å; Y584-F587 PolarHBondContact O-N 3.25Å; Y584-F587 VanDerWaalsContact O-N 3.15Å
585	D	92.8	Very high	91.9	Very high	88 Å²	88	65.6 Å²	65.6	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-25.3	-176.8	-64	-16.6	0	0	0	113.1	Q581	Q581-D585 PolarHBondContact NE2-OD1 2.91Å; Q581-D585 PolarHBondContact O-N 3.46Å
586	N	94.7	Very high	91.7	Very high	18 Å²	18	58.9 Å²	58.9	10%	0.096	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	11.1	179.8	-68.9	-76.7	0	0	0	113.9	R555 F556 W582 C583 Y584 I588	R555-N586 PolarHBondContact NH1-OD1 2.67Å; R555-N586 VanDerWaalsContact NH1-OD1 3.14Å; F556-N586 HydrophobicContact CE2-CB 4.07Å; F556-N586 HydrophobicContact CZ-CB 4.08Å; W582-N586 PolarHBondContact NE1-ND2 2.79Å; W582-N586 WeakPolarHBondContact O-CB 3.32Å; W582-N586 PolarHBondContact O-N 3.1Å; W582-N586 VanDerWaalsContact O-N 3.16Å; W582-N586 PolarHBondContact O-ND2 2.86Å; C583-N586 PolarHBondContact O-N 2.85Å; Y584-N586 PolarHBondContact O-N 2.82Å; N586-I588 HydrophobicContact CB-CG1 4.03Å; N586-I588 WeakPolarHBondContact O-CG1 3.5Å; N586-I588 PolarHBondContact O-N 2.88Å
587	F	92.8	Very high	91.6	Very high	50 Å²	50	56.8 Å²	56.8	22%	0.219	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	38.6	-179	-68.1	-98	0	0	0	112.9	V540 P542 T548 A549 A552 C583 Y584	V540-F587 WeakPolarHBondContact CB-O 3.49Å; V540-F587 PolarHBondContact N-O 3.31Å; V540-F587 WeakPolarHBondContact O-CB 3.19Å; P542-F587 HydrophobicContact CG-CD1 4.32Å; P542-F587 HydrophobicContact CG-CE1 4.23Å; T548-F587 WeakPolarHBondContact OG1-CZ 3.46Å; A549-F587 HydrophobicContact CB-CB 4.22Å; A549-F587 HydrophobicContact CB-CD1 3.59Å; A549-F587 HydrophobicContact CB-CE1 4.05Å; A549-F587 HydrophobicContact CB-CG 3.88Å; A552-F587 HydrophobicContact CB-CB 4.31Å; A552-F587 HydrophobicContact CB-CD2 3.7Å; A552-F587 HydrophobicContact CB-CG 4.41Å; C583-F587 PolarHBondContact O-N 3.11Å; Y584-F587 PolarHBondContact O-N 3.25Å; Y584-F587 VanDerWaalsContact O-N 3.15Å
588	I	93.7	Very high	91.3	Very high	7 Å²	7	53 Å²	53	4%	0.036	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-108.8	138.6	178.3	-53.2	-59.5	0	0	0	110.6	C538 F539 F556 V569 W582 C583 N586 F590 L593	C538-I588 HydrophobicContact CB-CG2 4.42Å; C538-I588 CarbonylContact O-C 3.57Å; C538-I588 WeakPolarHBondContact O-CA 3.45Å; F539-I588 HydrophobicContact CD1-CD1 3.73Å; F539-I588 HydrophobicContact CE1-CD1 3.88Å; F556-I588 HydrophobicContact CE2-CD1 4.3Å; F556-I588 HydrophobicContact CE2-CG1 4.43Å; V569-I588 HydrophobicContact CG1-CD1 3.98Å; V569-I588 HydrophobicContact CG1-CG1 4.26Å; V569-I588 HydrophobicContact CG1-CG2 3.92Å; V569-I588 HydrophobicContact CG2-CD1 4.3Å; W582-I588 HydrophobicContact CZ3-CG1 4.5Å; C583-I588 CarbonylContact C-O 3.44Å; C583-I588 HydrophobicContact CB-CB 4.5Å; C583-I588 WeakPolarHBondContact CB-O 3.43Å; C583-I588 PolarHBondContact O-N 2.79Å; N586-I588 HydrophobicContact CB-CG1 4.03Å; N586-I588 WeakPolarHBondContact O-CG1 3.5Å; N586-I588 PolarHBondContact O-N 2.88Å; I588-F590 PolarHBondContact O-N 3.36Å; I588-F590 VanDerWaalsContact O-N 3.1Å; I588-L593 HydrophobicContact CB-CD1 4.43Å; I588-L593 HydrophobicContact CG2-CD1 3.28Å; I588-L593 HydrophobicContact CG2-CG 3.92Å
589	N	88.8	Confident	91.2	Very high	54 Å²	54	50.7 Å²	50.7	29%	0.289	25%	0.247	S	C	.	.			trans	-77	98.9	176.9	-171.1	-29	0	0	0	110.2	C538 V540 R591 S592 L593	C538-N589 PolarHBondContact O-N 3.36Å; V540-N589 HydrophobicContact CG2-CB 3.85Å; N589-R591 PolarHBondContact O-N 3.44Å; N589-R591 VanDerWaalsContact O-N 3.14Å; N589-R591 WeakPolarHBondContact OD1-CB 3.48Å; N589-R591 PolarHBondContact OD1-N 3.33Å; N589-S592 PolarHBondContact ND2-OG 3.45Å; N589-S592 PolarHBondContact O-N 2.96Å; N589-S592 VanDerWaalsContact O-N 3.13Å; N589-S592 PolarHBondContact OD1-N 2.79Å; N589-S592 VanDerWaalsContact OD1-N 3.17Å; N589-L593 PolarHBondContact O-N 3.12Å; N589-L593 VanDerWaalsContact O-N 3.14Å
590	F	90.8	Very high	91.3	Very high	59 Å²	59	49.8 Å²	49.8	26%	0.259	24%	0.239	S	C	.	.	H	α-helix	trans	-48.2	-40.2	176.5	176.3	-111	0	0	0	113.3	F573 E578 P580 C583 I588 L593 K594	F573-F590 AromaticContact CE2-CD2 3.79Å; F573-F590 HydrophobicContact CE2-CD2 3.79Å; F573-F590 AromaticContact CE2-CE2 3.93Å; F573-F590 HydrophobicContact CE2-CE2 3.93Å; F573-F590 HydrophobicContact CZ-CD2 4.11Å; F573-F590 AromaticContact CZ-CE2 3.98Å; F573-F590 HydrophobicContact CZ-CE2 3.98Å; E578-F590 VanDerWaalsContact O-CE2 3.26Å; E578-F590 WeakPolarHBondContact O-CE2 3.35Å; P580-F590 HydrophobicContact CB-CD2 4.29Å; P580-F590 HydrophobicContact CB-CE2 4.35Å; P580-F590 HydrophobicContact CB-CG 4.42Å; P580-F590 HydrophobicContact CB-CZ 4.5Å; P580-F590 HydrophobicContact CG-CD2 4.29Å; P580-F590 HydrophobicContact CG-CE1 4.22Å; P580-F590 HydrophobicContact CG-CE2 3.85Å; P580-F590 HydrophobicContact CG-CZ 3.79Å; C583-F590 HydrophobicContact CB-CB 3.87Å; C583-F590 HydrophobicContact CB-CD2 4.47Å; I588-F590 PolarHBondContact O-N 3.36Å; I588-F590 VanDerWaalsContact O-N 3.1Å; F590-L593 PolarHBondContact O-N 3.01Å; F590-K594 HydrophobicContact CD1-CG 4.39Å; F590-K594 HydrophobicContact CD2-CG 4.41Å; F590-K594 HydrophobicContact CE1-CG 3.92Å; F590-K594 HydrophobicContact CE2-CD 4.32Å; F590-K594 HydrophobicContact CE2-CG 3.9Å; F590-K594 HydrophobicContact CZ-CD 4.08Å; F590-K594 HydrophobicContact CZ-CG 3.67Å; F590-K594 WeakPolarHBondContact O-CG 3.49Å; F590-K594 PolarHBondContact O-N 3.38Å
591	R	81.8	Confident	91.4	Very high	97 Å²	97	48.8 Å²	48.8	37%	0.366	23%	0.231	S	C	.	.	H	α-helix	trans	-76.2	-35.7	-176.1	-65.5	176.1	168.7	156.7	-18.7	112.3	N334 N589 L593 S595	N334-R591 PolarHBondContact OD1-NH2 2.89Å; N589-R591 PolarHBondContact O-N 3.44Å; N589-R591 VanDerWaalsContact O-N 3.14Å; N589-R591 WeakPolarHBondContact OD1-CB 3.48Å; N589-R591 PolarHBondContact OD1-N 3.33Å; R591-L593 VanDerWaalsContact C-N 3.28Å; R591-S595 VanDerWaalsContact O-CB 3.31Å; R591-S595 WeakPolarHBondContact O-CB 3.42Å; R591-S595 PolarHBondContact O-N 3.1Å; R591-S595 PolarHBondContact O-OG 3.03Å
592	S	87.8	Confident	91.3	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-43.6	170.5	-65.7	0	0	0	0	110.3	P536 N589 S595 A596	P536-S592 WeakPolarHBondContact O-CB 3.28Å; P536-S592 PolarHBondContact O-OG 3.42Å; N589-S592 PolarHBondContact ND2-OG 3.45Å; N589-S592 PolarHBondContact O-N 2.96Å; N589-S592 VanDerWaalsContact O-N 3.13Å; N589-S592 PolarHBondContact OD1-N 2.79Å; N589-S592 VanDerWaalsContact OD1-N 3.17Å; S592-S595 WeakPolarHBondContact O-CB 3.44Å; S592-S595 PolarHBondContact O-N 3.47Å; S592-A596 WeakPolarHBondContact O-CB 3.38Å; S592-A596 PolarHBondContact O-N 3.14Å
593	L	92.7	Very high	91.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-43.7	178.8	-73.7	176.3	0	0	0	113.9	M532 V569 Y570 F573 W582 I588 N589 F590 R591 S595 A596 D597	M532-L593 HydrophobicContact CE-CD2 3.6Å; M532-L593 HydrophobicContact SD-CD2 3.57Å; M532-L593 VanDerWaalsContact SD-CD2 3.57Å; V569-L593 HydrophobicContact CG1-CD1 4.39Å; V569-L593 HydrophobicContact CG1-CD2 4.14Å; Y570-L593 HydrophobicContact CD2-CD2 4.42Å; F573-L593 HydrophobicContact CB-CD1 3.68Å; F573-L593 HydrophobicContact CB-CD2 4.48Å; F573-L593 HydrophobicContact CD1-CB 3.81Å; F573-L593 HydrophobicContact CD1-CD1 4.04Å; F573-L593 HydrophobicContact CD1-CD2 4.46Å; F573-L593 HydrophobicContact CD1-CG 4.36Å; F573-L593 HydrophobicContact CD2-CB 4.33Å; F573-L593 HydrophobicContact CD2-CD1 3.55Å; F573-L593 HydrophobicContact CE1-CB 3.68Å; F573-L593 HydrophobicContact CE2-CB 4.2Å; F573-L593 HydrophobicContact CE2-CD1 4.08Å; F573-L593 HydrophobicContact CG-CB 4.13Å; F573-L593 HydrophobicContact CG-CD1 3.51Å; F573-L593 HydrophobicContact CG-CG 4.3Å; F573-L593 HydrophobicContact CZ-CB 3.87Å; W582-L593 HydrophobicContact CZ3-CD1 4.39Å; I588-L593 HydrophobicContact CB-CD1 4.43Å; I588-L593 HydrophobicContact CG2-CD1 3.28Å; I588-L593 HydrophobicContact CG2-CG 3.92Å; N589-L593 PolarHBondContact O-N 3.12Å; N589-L593 VanDerWaalsContact O-N 3.14Å; F590-L593 PolarHBondContact O-N 3.01Å; R591-L593 VanDerWaalsContact C-N 3.28Å; L593-S595 VanDerWaalsContact C-N 3.26Å; L593-S595 PolarHBondContact O-N 3.39Å; L593-A596 WeakPolarHBondContact O-CB 3.27Å; L593-A596 PolarHBondContact O-N 3.07Å; L593-A596 VanDerWaalsContact O-N 3.17Å; L593-D597 PolarHBondContact O-N 2.82Å
594	K	90.5	Very high	91.3	Very high	69 Å²	69	46.1 Å²	46.1	30%	0.3	22%	0.221	S	C	.	.	H	α-helix	trans	-58.6	-40.8	171.5	-77.4	-67.5	-164.7	176	0	111.9	F573 E578 F590 D597 N598	F573-K594 HydrophobicContact CZ-CD 4.31Å; F573-K594 HydrophobicContact CZ-CG 4.36Å; E578-K594 IonicContact OE2-NZ 2.65Å; E578-K594 PolarHBondContact OE2-NZ 3.08Å; F590-K594 HydrophobicContact CD1-CG 4.39Å; F590-K594 HydrophobicContact CD2-CG 4.41Å; F590-K594 HydrophobicContact CE1-CG 3.92Å; F590-K594 HydrophobicContact CE2-CD 4.32Å; F590-K594 HydrophobicContact CE2-CG 3.9Å; F590-K594 HydrophobicContact CZ-CD 4.08Å; F590-K594 HydrophobicContact CZ-CG 3.67Å; F590-K594 WeakPolarHBondContact O-CG 3.49Å; F590-K594 PolarHBondContact O-N 3.38Å; K594-D597 PolarHBondContact O-N 3.18Å; K594-N598 PolarHBondContact O-N 2.85Å
595	S	85.8	Confident	91.5	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	22%	0.216	S	C	.	.	H	α-helix	trans	-65.2	-41.4	176	-57.1	0	0	0	0	111.2	R591 S592 L593 N598 V599	R591-S595 VanDerWaalsContact O-CB 3.31Å; R591-S595 WeakPolarHBondContact O-CB 3.42Å; R591-S595 PolarHBondContact O-N 3.1Å; R591-S595 PolarHBondContact O-OG 3.03Å; S592-S595 WeakPolarHBondContact O-CB 3.44Å; S592-S595 PolarHBondContact O-N 3.47Å; L593-S595 VanDerWaalsContact C-N 3.26Å; L593-S595 PolarHBondContact O-N 3.39Å; S595-N598 PolarHBondContact O-N 3.45Å; S595-V599 VanDerWaalsContact O-CG2 3.3Å; S595-V599 WeakPolarHBondContact O-CG2 3.37Å; S595-V599 PolarHBondContact O-N 2.7Å
596	A	92.4	Very high	91.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-42.2	176.3	0	0	0	0	0	111.3	S531 M532 V535 Y570 S592 L593 N598 V599 R600	S531-A596 VanDerWaalsContact CB-O 3.31Å; S531-A596 WeakPolarHBondContact CB-O 3.32Å; M532-A596 HydrophobicContact CG-CB 4.43Å; M532-A596 HydrophobicContact SD-CB 3.66Å; V535-A596 HydrophobicContact CG1-CB 4.31Å; V535-A596 HydrophobicContact CG2-CB 3.99Å; Y570-A596 HydrophobicContact CE2-CB 4.43Å; S592-A596 WeakPolarHBondContact O-CB 3.38Å; S592-A596 PolarHBondContact O-N 3.14Å; L593-A596 WeakPolarHBondContact O-CB 3.27Å; L593-A596 PolarHBondContact O-N 3.07Å; L593-A596 VanDerWaalsContact O-N 3.17Å; A596-N598 PolarHBondContact O-N 3.5Å; A596-V599 PolarHBondContact O-N 3.26Å; A596-R600 WeakPolarHBondContact O-CB 3.49Å; A596-R600 PolarHBondContact O-N 2.88Å
597	D	93.2	Very high	91.6	Very high	21 Å²	21	41 Å²	41	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-43.3	176.1	-164.7	45.2	0	0	0	111.3	Y570 K574 L593 K594 V599 R600 V601	Y570-D597 HydrophobicContact CE2-CB 4.46Å; Y570-D597 PolarHBondContact OH-OD1 3.42Å; K574-D597 IonicContact NZ-OD1 2.73Å; K574-D597 PolarHBondContact NZ-OD1 3Å; K574-D597 IonicContact NZ-OD2 2.77Å; K574-D597 PolarHBondContact NZ-OD2 3.21Å; L593-D597 PolarHBondContact O-N 2.82Å; K594-D597 PolarHBondContact O-N 3.18Å; D597-V599 PolarHBondContact O-N 3.24Å; D597-R600 WeakPolarHBondContact O-CB 3.35Å; D597-R600 PolarHBondContact O-N 2.59Å; D597-V601 WeakPolarHBondContact O-CG2 3.27Å; D597-V601 PolarHBondContact O-N 3.07Å
598	N	88.8	Confident	91.8	Very high	90 Å²	90	42.2 Å²	42.2	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-45.4	173.7	-74.1	-17.3	0	0	0	112.5	K594 S595 A596 R600 V601 Q602	K594-N598 PolarHBondContact O-N 2.85Å; S595-N598 PolarHBondContact O-N 3.45Å; A596-N598 PolarHBondContact O-N 3.5Å; N598-R600 VanDerWaalsContact C-N 3.32Å; N598-R600 PolarHBondContact O-N 2.92Å; N598-V601 PolarHBondContact O-N 3.24Å; N598-Q602 WeakPolarHBondContact O-CG 3.43Å; N598-Q602 PolarHBondContact O-N 2.74Å; N598-Q602 VanDerWaalsContact O-N 3.15Å
599	V	90.3	Very high	91.8	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-46.9	174.8	171.8	0	0	0	0	109.9	F162 V535 S595 A596 D597 V601 Q602 L603	F162-V599 HydrophobicContact CD1-CG2 3.97Å; F162-V599 HydrophobicContact CD2-CG2 3.64Å; F162-V599 HydrophobicContact CE1-CB 4.41Å; F162-V599 HydrophobicContact CE1-CG1 3.99Å; F162-V599 HydrophobicContact CE1-CG2 4.02Å; F162-V599 HydrophobicContact CE2-CG2 3.67Å; F162-V599 HydrophobicContact CG-CG2 3.79Å; F162-V599 HydrophobicContact CZ-CG1 3.97Å; F162-V599 HydrophobicContact CZ-CG2 3.87Å; V535-V599 HydrophobicContact CG1-CG2 4.31Å; S595-V599 VanDerWaalsContact O-CG2 3.3Å; S595-V599 WeakPolarHBondContact O-CG2 3.37Å; S595-V599 PolarHBondContact O-N 2.7Å; A596-V599 PolarHBondContact O-N 3.26Å; D597-V599 PolarHBondContact O-N 3.24Å; V599-V601 PolarHBondContact O-N 3Å; V599-Q602 PolarHBondContact O-N 3.39Å; V599-Q602 VanDerWaalsContact O-N 3.1Å; V599-L603 HydrophobicContact CG1-CD1 3.65Å; V599-L603 HydrophobicContact CG1-CG 4.01Å; V599-L603 VanDerWaalsContact O-CG 3.31Å; V599-L603 WeakPolarHBondContact O-CG 3.3Å; V599-L603 PolarHBondContact O-N 3.06Å
600	R	95.9	Very high	92	Very high	48 Å²	48	50.7 Å²	50.7	18%	0.181	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-45.3	-179.5	-163	-172.5	177	-83.5	-3.3	112.4	N524 L527 S528 S531 Y570 A596 D597 N598 Q602 L603 S604	N524-R600 PolarHBondContact O-NH2 2.99Å; L527-R600 HydrophobicContact CD2-CG 3.95Å; L527-R600 HydrophobicContact CG-CG 3.82Å; S528-R600 PolarHBondContact OG-NE 3.48Å; S531-R600 WeakPolarHBondContact OG-CA 3.49Å; S531-R600 VanDerWaalsContact OG-CB 3.26Å; S531-R600 WeakPolarHBondContact OG-CB 3.42Å; S531-R600 PolarHBondContact OG-N 3.11Å; Y570-R600 WeakPolarHBondContact OH-CD 3.35Å; A596-R600 WeakPolarHBondContact O-CB 3.49Å; A596-R600 PolarHBondContact O-N 2.88Å; D597-R600 WeakPolarHBondContact O-CB 3.35Å; D597-R600 PolarHBondContact O-N 2.59Å; N598-R600 VanDerWaalsContact C-N 3.32Å; N598-R600 PolarHBondContact O-N 2.92Å; R600-Q602 VanDerWaalsContact C-N 3.3Å; R600-Q602 PolarHBondContact O-N 2.62Å; R600-L603 PolarHBondContact O-N 3.48Å; R600-S604 WeakPolarHBondContact O-CB 3.26Å; R600-S604 PolarHBondContact O-N 2.82Å; R600-S604 PolarHBondContact O-OG 2.8Å
601	V	94.3	Very high	92.2	Very high	52 Å²	52	53.1 Å²	53.1	32%	0.315	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-37.1	177.2	170.5	0	0	0	0	111.5	D597 N598 V599 S604 R605	D597-V601 WeakPolarHBondContact O-CG2 3.27Å; D597-V601 PolarHBondContact O-N 3.07Å; N598-V601 PolarHBondContact O-N 3.24Å; V599-V601 PolarHBondContact O-N 3Å; V601-S604 PolarHBondContact O-OG 3.3Å; V601-R605 VanDerWaalsContact O-CG 3.32Å; V601-R605 WeakPolarHBondContact O-CG 3.28Å; V601-R605 PolarHBondContact O-N 3.18Å
602	Q	90.3	Very high	92.8	Very high	60 Å²	60	49.7 Å²	49.7	28%	0.28	25%	0.245	S	C	.	.	H	α-helix	trans	-73.5	-44.7	178.3	-69.8	-176.1	29.7	0	0	112	F162 N598 V599 R600 S604 R605 I606	F162-Q602 VanDerWaalsContact C-NE2 3.3Å; F162-Q602 VanDerWaalsContact CA-OE1 3.29Å; F162-Q602 VanDerWaalsContact CD1-OE1 3.29Å; F162-Q602 PolarHBondContact O-NE2 2.96Å; N598-Q602 WeakPolarHBondContact O-CG 3.43Å; N598-Q602 PolarHBondContact O-N 2.74Å; N598-Q602 VanDerWaalsContact O-N 3.15Å; V599-Q602 PolarHBondContact O-N 3.39Å; V599-Q602 VanDerWaalsContact O-N 3.1Å; R600-Q602 VanDerWaalsContact C-N 3.3Å; R600-Q602 PolarHBondContact O-N 2.62Å; Q602-S604 VanDerWaalsContact C-N 3.28Å; Q602-S604 PolarHBondContact O-N 3.19Å; Q602-R605 WeakPolarHBondContact O-CB 3.47Å; Q602-R605 PolarHBondContact O-N 3.45Å; Q602-I606 WeakPolarHBondContact O-CG1 3.22Å; Q602-I606 PolarHBondContact O-N 3.38Å
603	L	94.4	Very high	93.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-38.1	175.1	-63.1	177.5	0	0	0	111	F504 P505 L506 L527 T530 V599 R600 R605 I606 M607	F504-L603 HydrophobicContact CD1-CD2 3.91Å; P505-L603 HydrophobicContact CG-CD2 3.96Å; L506-L603 HydrophobicContact CD1-CD1 4.16Å; L506-L603 HydrophobicContact CD1-CD2 3.83Å; L506-L603 HydrophobicContact CD2-CD1 4.29Å; L506-L603 HydrophobicContact CD2-CD2 4.24Å; L506-L603 HydrophobicContact CG-CD2 3.94Å; L527-L603 HydrophobicContact CD1-CB 3.4Å; L527-L603 VanDerWaalsContact CD1-CB 3.4Å; L527-L603 HydrophobicContact CD1-CD1 4.08Å; L527-L603 HydrophobicContact CD1-CG 4.41Å; T530-L603 HydrophobicContact CG2-CD1 3.93Å; V599-L603 HydrophobicContact CG1-CD1 3.65Å; V599-L603 HydrophobicContact CG1-CG 4.01Å; V599-L603 VanDerWaalsContact O-CG 3.31Å; V599-L603 WeakPolarHBondContact O-CG 3.3Å; V599-L603 PolarHBondContact O-N 3.06Å; R600-L603 PolarHBondContact O-N 3.48Å; L603-R605 VanDerWaalsContact C-N 3.33Å; L603-R605 PolarHBondContact O-N 3.29Å; L603-I606 PolarHBondContact O-N 3.44Å; L603-M607 WeakPolarHBondContact O-CG 3.47Å; L603-M607 PolarHBondContact O-N 3.08Å
604	S	96	Very high	93.2	Very high	14 Å²	14	62.6 Å²	62.6	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-38.5	175.4	70.9	0	0	0	0	112.4	R600 V601 Q602 I606 M607 D608	R600-S604 WeakPolarHBondContact O-CB 3.26Å; R600-S604 PolarHBondContact O-N 2.82Å; R600-S604 PolarHBondContact O-OG 2.8Å; V601-S604 PolarHBondContact O-OG 3.3Å; Q602-S604 VanDerWaalsContact C-N 3.28Å; Q602-S604 PolarHBondContact O-N 3.19Å; S604-I606 VanDerWaalsContact C-N 3.3Å; S604-I606 PolarHBondContact O-N 3.06Å; S604-M607 WeakPolarHBondContact O-CB 3.48Å; S604-M607 PolarHBondContact O-N 3.4Å; S604-D608 WeakPolarHBondContact O-CB 3.44Å; S604-D608 PolarHBondContact O-N 2.95Å
605	R	94.3	Very high	93.5	Very high	159 Å²	159	59.8 Å²	59.8	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-63.8	-35.7	175.4	-71	170.4	-172.5	179.6	2.7	112.2	V601 Q602 L603 R609	V601-R605 VanDerWaalsContact O-CG 3.32Å; V601-R605 WeakPolarHBondContact O-CG 3.28Å; V601-R605 PolarHBondContact O-N 3.18Å; Q602-R605 WeakPolarHBondContact O-CB 3.47Å; Q602-R605 PolarHBondContact O-N 3.45Å; L603-R605 VanDerWaalsContact C-N 3.33Å; L603-R605 PolarHBondContact O-N 3.29Å; R605-R609 WeakPolarHBondContact O-CB 3.39Å; R605-R609 PolarHBondContact O-N 2.92Å
606	I	93.6	Very high	94	Very high	19 Å²	19	60 Å²	60	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-68.8	-45	175.2	-60.9	169.3	0	0	0	109.7	F504 P505 Q602 L603 S604 D608 R609 F610	F504-I606 HydrophobicContact CD1-CB 4.38Å; F504-I606 HydrophobicContact CD1-CD1 4.46Å; F504-I606 HydrophobicContact CD1-CG2 3.99Å; F504-I606 HydrophobicContact CD2-CG2 4.21Å; F504-I606 HydrophobicContact CE1-CB 3.98Å; F504-I606 HydrophobicContact CE1-CG2 3.67Å; F504-I606 HydrophobicContact CE2-CG2 3.9Å; F504-I606 HydrophobicContact CG-CG2 4.26Å; F504-I606 HydrophobicContact CZ-CB 4.31Å; F504-I606 HydrophobicContact CZ-CG2 3.62Å; P505-I606 VanDerWaalsContact CD-CD1 3.44Å; P505-I606 HydrophobicContact CG-CD1 4.26Å; Q602-I606 WeakPolarHBondContact O-CG1 3.22Å; Q602-I606 PolarHBondContact O-N 3.38Å; L603-I606 PolarHBondContact O-N 3.44Å; S604-I606 VanDerWaalsContact C-N 3.3Å; S604-I606 PolarHBondContact O-N 3.06Å; I606-D608 VanDerWaalsContact C-N 3.34Å; I606-D608 PolarHBondContact O-N 3.37Å; I606-R609 WeakPolarHBondContact O-CB 3.5Å; I606-R609 PolarHBondContact O-N 2.69Å; I606-F610 HydrophobicContact CG2-CD2 3.87Å; I606-F610 HydrophobicContact CG2-CE2 3.94Å; I606-F610 WeakPolarHBondContact O-CD2 3.35Å; I606-F610 PolarHBondContact O-N 3.34Å; I606-F610 VanDerWaalsContact O-N 3.09Å
607	M	96.2	Very high	94.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.8	-47.4	174	-70.2	-178.9	75.1	0	0	112	F504 V514 L527 L603 S604 R609 F610 S611 L612 R614	F504-M607 HydrophobicContact CE1-CG 4.07Å; F504-M607 HydrophobicContact CZ-CG 4.07Å; V514-M607 HydrophobicContact CG1-CE 4.38Å; V514-M607 HydrophobicContact CG1-CG 4.17Å; V514-M607 HydrophobicContact CG1-SD 3.86Å; L527-M607 HydrophobicContact CD1-SD 3.7Å; L527-M607 HydrophobicContact CD2-SD 3.99Å; L527-M607 HydrophobicContact CG-SD 4.3Å; L603-M607 WeakPolarHBondContact O-CG 3.47Å; L603-M607 PolarHBondContact O-N 3.08Å; S604-M607 WeakPolarHBondContact O-CB 3.48Å; S604-M607 PolarHBondContact O-N 3.4Å; M607-R609 VanDerWaalsContact C-N 3.31Å; M607-R609 PolarHBondContact O-N 3.16Å; M607-F610 CarbonylContact O-C 3.58Å; M607-F610 PolarHBondContact O-N 3.28Å; M607-S611 PolarHBondContact O-N 3.25Å; M607-L612 HydrophobicContact CB-CB 4.05Å; M607-L612 HydrophobicContact CB-CD1 4.49Å; M607-L612 HydrophobicContact CE-CB 4.12Å; M607-L612 HydrophobicContact CG-CB 4.41Å; M607-L612 HydrophobicContact CG-CD1 4.23Å; M607-L612 PolarHBondContact O-N 3.23Å; M607-R614 HydrophobicContact CE-CG 3.97Å; M607-R614 HydrophobicContact SD-CG 4.39Å
608	D	95.7	Very high	94.2	Very high	76 Å²	76	64.9 Å²	64.9	41%	0.406	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-38.7	178.8	-66.1	-25.6	0	0	0	111.1	S604 I606 F610 S611 R614	S604-D608 WeakPolarHBondContact O-CB 3.44Å; S604-D608 PolarHBondContact O-N 2.95Å; I606-D608 VanDerWaalsContact C-N 3.34Å; I606-D608 PolarHBondContact O-N 3.37Å; D608-F610 PolarHBondContact O-N 2.88Å; D608-S611 PolarHBondContact O-N 2.88Å; D608-S611 VanDerWaalsContact O-N 3.09Å; D608-R614 IonicContact OD1-CZ 2.73Å; D608-R614 VanDerWaalsContact OD1-CZ 3.3Å; D608-R614 IonicContact OD1-NE 2.86Å; D608-R614 PolarHBondContact OD1-NE 2.78Å; D608-R614 IonicContact OD1-NH2 2.75Å; D608-R614 PolarHBondContact OD1-NH2 2.84Å; D608-R614 IonicContact OD2-CZ 3.61Å; D608-R614 IonicContact OD2-NE 2.94Å; D608-R614 IonicContact OD2-NH2 2.77Å; D608-R614 PolarHBondContact OD2-NH2 2.8Å; D608-R614 VanDerWaalsContact OD2-NH2 3.12Å
609	R	94.1	Very high	94.5	Very high	173 Å²	173	66.7 Å²	66.7	65%	0.653	31%	0.314	S	S	*	.	H	α-helix	trans	-61.6	-39.9	175.7	-172.3	-171.2	-55.1	175.9	1.6	112.7	R605 I606 M607 S611	R605-R609 WeakPolarHBondContact O-CB 3.39Å; R605-R609 PolarHBondContact O-N 2.92Å; I606-R609 WeakPolarHBondContact O-CB 3.5Å; I606-R609 PolarHBondContact O-N 2.69Å; M607-R609 VanDerWaalsContact C-N 3.31Å; M607-R609 PolarHBondContact O-N 3.16Å; R609-S611 VanDerWaalsContact C-N 3.26Å
610	F	93.7	Very high	94.6	Very high	66 Å²	66	72.1 Å²	72.1	29%	0.289	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	8.6	175.8	-72.5	-69.5	0	0	0	113.5	M500 E503 I606 M607 D608 L612	M500-F610 HydrophobicContact CE-CB 4.21Å; M500-F610 HydrophobicContact CE-CD1 4.19Å; M500-F610 HydrophobicContact CE-CG 4.37Å; M500-F610 HydrophobicContact CG-CB 4.43Å; M500-F610 HydrophobicContact CG-CD1 4.11Å; M500-F610 HydrophobicContact CG-CD2 4.13Å; M500-F610 HydrophobicContact CG-CE1 4.48Å; M500-F610 HydrophobicContact CG-CG 3.95Å; M500-F610 HydrophobicContact SD-CB 4.24Å; M500-F610 HydrophobicContact SD-CG 4.38Å; E503-F610 HydrophobicContact CB-CE2 3.7Å; E503-F610 HydrophobicContact CB-CZ 3.99Å; E503-F610 HydrophobicContact CG-CE2 3.89Å; E503-F610 HydrophobicContact CG-CZ 3.61Å; I606-F610 HydrophobicContact CG2-CD2 3.87Å; I606-F610 HydrophobicContact CG2-CE2 3.94Å; I606-F610 WeakPolarHBondContact O-CD2 3.35Å; I606-F610 PolarHBondContact O-N 3.34Å; I606-F610 VanDerWaalsContact O-N 3.09Å; M607-F610 CarbonylContact O-C 3.58Å; M607-F610 PolarHBondContact O-N 3.28Å; D608-F610 PolarHBondContact O-N 2.88Å; F610-L612 HydrophobicContact CB-CD1 4.43Å; F610-L612 HydrophobicContact CB-CG 4.05Å; F610-L612 PolarHBondContact O-N 3.17Å
611	S	94.4	Very high	94.6	Very high	109 Å²	109	71.8 Å²	71.8	76%	0.762	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	31.5	-177.5	-56.9	0	0	0	0	113.9	M607 D608 R609	M607-S611 PolarHBondContact O-N 3.25Å; D608-S611 PolarHBondContact O-N 2.88Å; D608-S611 VanDerWaalsContact O-N 3.09Å; R609-S611 VanDerWaalsContact C-N 3.26Å
612	L	94.7	Very high	94.5	Very high	26 Å²	26	80.1 Å²	80.1	14%	0.136	38%	0.378	C	S	.	.			trans	-75.4	124.8	176.1	-64.5	179.6	0	0	0	110.3	M500 F504 I515 M607 F610 R614	M500-L612 HydrophobicContact CE-CD2 4.36Å; M500-L612 HydrophobicContact SD-CD1 3.88Å; M500-L612 HydrophobicContact SD-CD2 3.86Å; M500-L612 HydrophobicContact SD-CG 4.2Å; F504-L612 HydrophobicContact CE2-CD1 4.4Å; F504-L612 HydrophobicContact CZ-CD1 4.02Å; I515-L612 HydrophobicContact CG1-CD1 4.03Å; I515-L612 HydrophobicContact CG2-CD2 4.49Å; M607-L612 HydrophobicContact CB-CB 4.05Å; M607-L612 HydrophobicContact CB-CD1 4.49Å; M607-L612 HydrophobicContact CE-CB 4.12Å; M607-L612 HydrophobicContact CG-CB 4.41Å; M607-L612 HydrophobicContact CG-CD1 4.23Å; M607-L612 PolarHBondContact O-N 3.23Å; F610-L612 HydrophobicContact CB-CD1 4.43Å; F610-L612 HydrophobicContact CB-CG 4.05Å; F610-L612 PolarHBondContact O-N 3.17Å; L612-R614 PolarHBondContact O-N 2.84Å
613	R	94.4	Very high	94.8	Very high	166 Å²	166	81 Å²	81	63%	0.626	39%	0.385	S	S	*	.			trans	-65.5	123.6	-176.4	-175	-178.5	179.1	-163.5	-0.1	111.2	S523	S523-R613 PolarHBondContact OG-O 2.87Å
614	R	94.8	Very high	94.9	Very high	110 Å²	110	81.7 Å²	81.7	42%	0.415	39%	0.387	S	S	.	.			trans	-87.7	107.8	167.2	-68.8	-173.6	-73.2	136.3	-7.4	110	S523 M607 D608 L612	S523-R614 VanDerWaalsContact OG-CA 3.3Å; S523-R614 WeakPolarHBondContact OG-CA 3.25Å; M607-R614 HydrophobicContact CE-CG 3.97Å; M607-R614 HydrophobicContact SD-CG 4.39Å; D608-R614 IonicContact OD1-CZ 2.73Å; D608-R614 VanDerWaalsContact OD1-CZ 3.3Å; D608-R614 IonicContact OD1-NE 2.86Å; D608-R614 PolarHBondContact OD1-NE 2.78Å; D608-R614 IonicContact OD1-NH2 2.75Å; D608-R614 PolarHBondContact OD1-NH2 2.84Å; D608-R614 IonicContact OD2-CZ 3.61Å; D608-R614 IonicContact OD2-NE 2.94Å; D608-R614 IonicContact OD2-NH2 2.77Å; D608-R614 PolarHBondContact OD2-NH2 2.8Å; D608-R614 VanDerWaalsContact OD2-NH2 3.12Å; L612-R614 PolarHBondContact O-N 2.84Å
615	S	95.5	Very high	95	Very high	9 Å²	9	83.7 Å²	83.7	6%	0.063	39%	0.393	C	S	.	.			trans	-133.7	151.3	-175.7	50.4	0	0	0	0	111.2	N521 C522 S523 N524	N521-S615 WeakPolarHBondContact CA-OG 3.46Å; C522-S615 CarbonylContact C-O 3.4Å; S523-S615 PolarHBondContact N-O 2.86Å; S523-S615 PolarHBondContact OG-N 3.12Å; N524-S615 PolarHBondContact N-O 2.94Å
616	S	96.5	Very high	95.1	Very high	59 Å²	59	78.2 Å²	78.2	41%	0.413	38%	0.375	S	S	.	.			trans	-131.2	136.6	171	-68.7	0	0	0	0	107.9	N521 N524 E525	N521-S616 CarbonylContact O-C 3.42Å; N521-S616 VanDerWaalsContact O-C 3.26Å; N521-S616 WeakPolarHBondContact O-CA 3.44Å; N524-S616 VanDerWaalsContact CB-OG 3.28Å; N524-S616 WeakPolarHBondContact CB-OG 3.37Å; N524-S616 PolarHBondContact ND2-OG 2.81Å; E525-S616 VanDerWaalsContact OE1-CB 3.28Å; E525-S616 WeakPolarHBondContact OE1-CB 3.48Å; E525-S616 PolarHBondContact OE1-OG 2.99Å; E525-S616 PolarHBondContact OE2-OG 2.97Å
617	T	96.2	Very high	95.3	Very high	24 Å²	24	78.3 Å²	78.3	15%	0.147	38%	0.376	C	S	.	.			trans	-70.9	153.5	169.3	-59.8	0	0	0	0	108.1	N521 F619 D623 Y624 N627	N521-T617 PolarHBondContact O-N 2.9Å; N521-T617 PolarHBondContact O-OG1 3.28Å; T617-F619 PolarHBondContact O-N 3.15Å; T617-D623 HydrophobicContact CG2-CB 4.46Å; T617-Y624 VanDerWaalsContact O-CD2 3.25Å; T617-Y624 WeakPolarHBondContact O-CD2 3.32Å; T617-N627 PolarHBondContact OG1-ND2 2.94Å; T617-N627 VanDerWaalsContact OG1-ND2 3.16Å
618	D	94.7	Very high	95.4	Very high	99 Å²	99	78.3 Å²	78.3	53%	0.529	38%	0.376	S	S	.	.			trans	-57.9	128.5	172.6	-175.6	-13.4	0	0	0	110	T620 S621	D618-T620 PolarHBondContact O-N 3Å; D618-T620 PolarHBondContact OD1-N 3.1Å; D618-T620 PolarHBondContact OD1-OG1 3.35Å; D618-T620 PolarHBondContact OD2-OG1 2.89Å; D618-S621 VanDerWaalsContact O-CB 3.24Å; D618-S621 WeakPolarHBondContact O-CB 3.33Å; D618-S621 PolarHBondContact O-N 3.04Å
619	F	93.7	Very high	95.5	Very high	129 Å²	129	75.2 Å²	75.2	57%	0.566	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.2	179.1	-176	-101.2	0	0	0	112.8	T617 S621 Y624 Y625	T617-F619 PolarHBondContact O-N 3.15Å; F619-S621 VanDerWaalsContact C-N 3.26Å; F619-S621 PolarHBondContact O-N 3.34Å; F619-Y624 AromaticContact CD2-CD1 3.9Å; F619-Y624 HydrophobicContact CD2-CD1 3.9Å; F619-Y624 AromaticContact CD2-CE1 3.72Å; F619-Y624 HydrophobicContact CD2-CE1 3.72Å; F619-Y624 HydrophobicContact CD2-CE2 4.42Å; F619-Y624 HydrophobicContact CD2-CG 4.33Å; F619-Y624 HydrophobicContact CE2-CD1 4.32Å; F619-Y624 HydrophobicContact CE2-CE1 4.09Å; F619-Y625 HydrophobicContact CE2-CE2 4.45Å; F619-Y625 AromaticContact CE2-CZ 3.98Å; F619-Y625 VanDerWaalsContact CE2-OH 3.3Å; F619-Y625 WeakPolarHBondContact CE2-OH 3.48Å
620	T	94.2	Very high	95.7	Very high	117 Å²	117	69.6 Å²	69.6	72%	0.718	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.2	176.9	68.5	0	0	0	0	113	D618	D618-T620 PolarHBondContact O-N 3Å; D618-T620 PolarHBondContact OD1-N 3.1Å; D618-T620 PolarHBondContact OD1-OG1 3.35Å; D618-T620 PolarHBondContact OD2-OG1 2.89Å
621	S	95.2	Very high	95.9	Very high	40 Å²	40	66.5 Å²	66.5	28%	0.28	33%	0.325	S	S	.	.	S	Bend	trans	-72.7	137.8	177.1	-177.5	0	0	0	0	110.9	D618 F619 D623 Y624	D618-S621 VanDerWaalsContact O-CB 3.24Å; D618-S621 WeakPolarHBondContact O-CB 3.33Å; D618-S621 PolarHBondContact O-N 3.04Å; F619-S621 VanDerWaalsContact C-N 3.26Å; F619-S621 PolarHBondContact O-N 3.34Å; S621-D623 PolarHBondContact O-N 3.28Å; S621-D623 VanDerWaalsContact O-N 3.11Å; S621-D623 PolarHBondContact OG-N 3.23Å; S621-D623 VanDerWaalsContact OG-N 3.11Å; S621-Y624 WeakPolarHBondContact O-CB 3.21Å; S621-Y624 PolarHBondContact O-N 3.25Å; S621-Y624 VanDerWaalsContact O-N 3.09Å
622	R	92.5	Very high	96	Very high	228 Å²	228	61.3 Å²	61.3	86%	0.86	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.9	169.6	-64.8	-177.9	179.1	-177.7	-0.6	112.2	Y624 I626	R622-Y624 VanDerWaalsContact C-N 3.31Å; R622-I626 WeakPolarHBondContact O-CD1 3.4Å; R622-I626 WeakPolarHBondContact O-CG1 3.39Å
623	D	95.1	Very high	96.2	Very high	79 Å²	79	60 Å²	60	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-77.8	-13.2	-179.1	-65	-43.5	0	0	0	113.3	T617 S621 Y625 I626 N627	T617-D623 HydrophobicContact CG2-CB 4.46Å; S621-D623 PolarHBondContact O-N 3.28Å; S621-D623 VanDerWaalsContact O-N 3.11Å; S621-D623 PolarHBondContact OG-N 3.23Å; S621-D623 VanDerWaalsContact OG-N 3.11Å; D623-Y625 PolarHBondContact O-N 2.94Å; D623-I626 PolarHBondContact O-N 2.84Å; D623-N627 WeakPolarHBondContact O-CB 3.46Å; D623-N627 PolarHBondContact O-N 3.38Å; D623-N627 PolarHBondContact O-ND2 3.36Å
624	Y	97.5	Very high	96.3	Very high	13 Å²	13	52.4 Å²	52.4	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-53.3	-61.6	-177.5	-176.1	-99	0	0	0	112.3	E525 T617 F619 S621 R622 I628	E525-Y624 HydrophobicContact CG-CE2 4.22Å; E525-Y624 WeakPolarHBondContact CG-OH 3.44Å; E525-Y624 PolarHBondContact OE1-OH 3.17Å; T617-Y624 VanDerWaalsContact O-CD2 3.25Å; T617-Y624 WeakPolarHBondContact O-CD2 3.32Å; F619-Y624 AromaticContact CD2-CD1 3.9Å; F619-Y624 HydrophobicContact CD2-CD1 3.9Å; F619-Y624 AromaticContact CD2-CE1 3.72Å; F619-Y624 HydrophobicContact CD2-CE1 3.72Å; F619-Y624 HydrophobicContact CD2-CE2 4.42Å; F619-Y624 HydrophobicContact CD2-CG 4.33Å; F619-Y624 HydrophobicContact CE2-CD1 4.32Å; F619-Y624 HydrophobicContact CE2-CE1 4.09Å; S621-Y624 WeakPolarHBondContact O-CB 3.21Å; S621-Y624 PolarHBondContact O-N 3.25Å; S621-Y624 VanDerWaalsContact O-N 3.09Å; R622-Y624 VanDerWaalsContact C-N 3.31Å; Y624-I628 HydrophobicContact CD1-CD1 4.06Å; Y624-I628 HydrophobicContact CE1-CD1 3.75Å; Y624-I628 WeakPolarHBondContact O-CG1 3.44Å; Y624-I628 PolarHBondContact O-N 3.44Å
625	Y	97.1	Very high	96.4	Very high	57 Å²	57	47.2 Å²	47.2	22%	0.224	24%	0.235	C	C	.	.	H	α-helix	trans	-71.5	-32.1	179.4	-65.2	-63.8	0	0	0	112.9	H558 L564 F619 D623 I628 R629	H558-Y625 AromaticContact CD2-CE1 3.62Å; H558-Y625 AromaticContact CD2-CZ 3.79Å; H558-Y625 AromaticContact NE2-CD1 3.45Å; H558-Y625 WeakPolarHBondContact NE2-CD1 3.38Å; H558-Y625 AromaticContact NE2-CD2 3.72Å; H558-Y625 AromaticContact NE2-CE1 3.32Å; H558-Y625 VanDerWaalsContact NE2-CE1 3.32Å; H558-Y625 WeakPolarHBondContact NE2-CE1 3.27Å; H558-Y625 AromaticContact NE2-CE2 3.6Å; H558-Y625 AromaticContact NE2-CG 3.63Å; H558-Y625 AromaticContact NE2-CZ 3.38Å; L564-Y625 HydrophobicContact CD1-CD1 3.85Å; L564-Y625 HydrophobicContact CD1-CG 4.45Å; L564-Y625 HydrophobicContact CD2-CD1 3.94Å; L564-Y625 HydrophobicContact CD2-CE1 4.49Å; L564-Y625 HydrophobicContact CG-CD1 4.44Å; F619-Y625 HydrophobicContact CE2-CE2 4.45Å; F619-Y625 AromaticContact CE2-CZ 3.98Å; F619-Y625 VanDerWaalsContact CE2-OH 3.3Å; F619-Y625 WeakPolarHBondContact CE2-OH 3.48Å; D623-Y625 PolarHBondContact O-N 2.94Å; Y625-I628 HydrophobicContact CD1-CD1 4.39Å; Y625-I628 PolarHBondContact O-N 3.01Å; Y625-R629 VanDerWaalsContact O-CG 3.25Å; Y625-R629 WeakPolarHBondContact O-CG 3.42Å; Y625-R629 PolarHBondContact O-N 3.06Å
626	I	97.2	Very high	96.4	Very high	43 Å²	43	47.2 Å²	47.2	22%	0.221	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-43.4	177.8	-65.2	175.1	0	0	0	110.5	R622 D623 R629 K630 W696	R622-I626 WeakPolarHBondContact O-CD1 3.4Å; R622-I626 WeakPolarHBondContact O-CG1 3.39Å; D623-I626 PolarHBondContact O-N 2.84Å; I626-R629 PolarHBondContact O-N 3.43Å; I626-K630 HydrophobicContact CG2-CD 4.12Å; I626-K630 HydrophobicContact CG2-CG 4.5Å; I626-K630 WeakPolarHBondContact O-CG 3.44Å; I626-K630 PolarHBondContact O-N 3.47Å; I626-W696 HydrophobicContact CG2-CH2 4.3Å; I626-W696 HydrophobicContact CG2-CZ2 3.84Å
627	N	97.6	Very high	96.4	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-42.9	179.8	-75.6	-12.5	0	0	0	111.3	Y520 C522 T617 D623 K630 A631	Y520-N627 VanDerWaalsContact O-CB 3.28Å; Y520-N627 WeakPolarHBondContact O-CB 3.43Å; Y520-N627 PolarHBondContact O-ND2 3.38Å; C522-N627 HydrophobicContact CB-CB 4.39Å; T617-N627 PolarHBondContact OG1-ND2 2.94Å; T617-N627 VanDerWaalsContact OG1-ND2 3.16Å; D623-N627 WeakPolarHBondContact O-CB 3.46Å; D623-N627 PolarHBondContact O-N 3.38Å; D623-N627 PolarHBondContact O-ND2 3.36Å; N627-K630 PolarHBondContact O-N 3.4Å; N627-A631 WeakPolarHBondContact O-CB 3.18Å; N627-A631 PolarHBondContact O-N 3.27Å
628	I	98.1	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-48.6	175.5	-60.4	163.1	0	0	0	110.2	C522 E525 I526 I529 L564 L567 Y624 Y625 K630 A631 L632	C522-I628 HydrophobicContact CB-CG1 3.77Å; E525-I628 HydrophobicContact CB-CD1 3.86Å; E525-I628 HydrophobicContact CB-CG1 3.97Å; E525-I628 HydrophobicContact CG-CD1 3.81Å; E525-I628 HydrophobicContact CG-CG1 4.31Å; I526-I628 HydrophobicContact CD1-CG2 4.01Å; I529-I628 HydrophobicContact CD1-CG2 3.6Å; L564-I628 HydrophobicContact CD2-CB 4.11Å; L564-I628 HydrophobicContact CD2-CD1 4.02Å; L564-I628 HydrophobicContact CD2-CG2 3.62Å; L567-I628 HydrophobicContact CD2-CD1 3.9Å; Y624-I628 HydrophobicContact CD1-CD1 4.06Å; Y624-I628 HydrophobicContact CE1-CD1 3.75Å; Y624-I628 WeakPolarHBondContact O-CG1 3.44Å; Y624-I628 PolarHBondContact O-N 3.44Å; Y625-I628 HydrophobicContact CD1-CD1 4.39Å; Y625-I628 PolarHBondContact O-N 3.01Å; I628-K630 VanDerWaalsContact C-N 3.34Å; I628-K630 PolarHBondContact O-N 3.46Å; I628-A631 WeakPolarHBondContact O-CB 3.22Å; I628-A631 PolarHBondContact O-N 3.24Å; I628-A631 VanDerWaalsContact O-N 3.12Å; I628-L632 WeakPolarHBondContact O-CG 3.37Å; I628-L632 PolarHBondContact O-N 3.46Å
629	R	98	Very high	96.4	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-38.6	179.4	-67.2	165	62.5	-175.7	-0.9	112.3	D560 L564 Y625 I626 L632 V633 T690 E691 W696	D560-R629 IonicContact OD1-CZ 3.85Å; D560-R629 IonicContact OD1-NH1 3.68Å; D560-R629 PolarHBondContact OD1-NH1 3.42Å; D560-R629 VanDerWaalsContact OD1-NH1 3.17Å; D560-R629 WeakPolarHBondContact OD2-CD 3.37Å; D560-R629 IonicContact OD2-CZ 3.98Å; D560-R629 IonicContact OD2-NE 2.9Å; D560-R629 IonicContact OD2-NH1 3.01Å; D560-R629 PolarHBondContact OD2-NH1 3.15Å; L564-R629 HydrophobicContact CD1-CG 4.22Å; Y625-R629 VanDerWaalsContact O-CG 3.25Å; Y625-R629 WeakPolarHBondContact O-CG 3.42Å; Y625-R629 PolarHBondContact O-N 3.06Å; I626-R629 PolarHBondContact O-N 3.43Å; R629-L632 WeakPolarHBondContact O-CB 3.35Å; R629-L632 PolarHBondContact O-N 3.13Å; R629-V633 PolarHBondContact O-N 3.43Å; R629-T690 HydrophobicContact CG-CG2 3.96Å; R629-E691 IonicContact CZ-OE1 2.73Å; R629-E691 PolarHBondContact NE-O 2.99Å; R629-E691 VanDerWaalsContact NH2-C 3.31Å; R629-E691 VanDerWaalsContact NH2-CG 3.29Å; R629-E691 PolarHBondContact NH2-O 3.31Å; R629-E691 IonicContact NH2-OE1 3.76Å; R629-E691 PolarHBondContact NH2-OE1 3.09Å; R629-W696 HydrophobicContact CB-CH2 4.09Å; R629-W696 HydrophobicContact CB-CZ3 3.6Å
630	K	97.9	Very high	96.6	Very high	55 Å²	55	35.7 Å²	35.7	24%	0.239	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-41.2	172.5	-74.1	172.9	-178.6	168.6	0	112	Y520 I626 N627 I628 L632 V633 S634 W696 I700	Y520-K630 HydrophobicContact CD1-CB 3.8Å; Y520-K630 HydrophobicContact CD1-CD 4.26Å; Y520-K630 HydrophobicContact CE1-CB 3.67Å; Y520-K630 HydrophobicContact CE1-CD 4.16Å; I626-K630 HydrophobicContact CG2-CD 4.12Å; I626-K630 HydrophobicContact CG2-CG 4.5Å; I626-K630 WeakPolarHBondContact O-CG 3.44Å; I626-K630 PolarHBondContact O-N 3.47Å; N627-K630 PolarHBondContact O-N 3.4Å; I628-K630 VanDerWaalsContact C-N 3.34Å; I628-K630 PolarHBondContact O-N 3.46Å; K630-L632 VanDerWaalsContact C-N 3.32Å; K630-L632 PolarHBondContact O-N 3.42Å; K630-V633 WeakPolarHBondContact O-CB 3.46Å; K630-V633 PolarHBondContact O-N 3.25Å; K630-V633 VanDerWaalsContact O-N 3.15Å; K630-S634 PolarHBondContact O-N 2.72Å; K630-W696 HydrophobicContact CG-CD2 3.75Å; K630-W696 HydrophobicContact CG-CE3 4.06Å; K630-W696 HydrophobicContact CG-CG 4.03Å; K630-W696 HydrophobicContact CG-CZ2 4.46Å; K630-I700 HydrophobicContact CB-CD1 4Å; K630-I700 HydrophobicContact CG-CD1 4.31Å; K630-I700 WeakPolarHBondContact O-CD1 3.17Å
631	A	97.9	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-38	176.3	0	0	0	0	0	111.7	Y520 I526 N627 I628 V633 S634	Y520-A631 HydrophobicContact CD2-CB 3.87Å; Y520-A631 HydrophobicContact CG-CB 4.22Å; I526-A631 HydrophobicContact CD1-CB 3.72Å; I526-A631 HydrophobicContact CG1-CB 3.73Å; N627-A631 WeakPolarHBondContact O-CB 3.18Å; N627-A631 PolarHBondContact O-N 3.27Å; I628-A631 WeakPolarHBondContact O-CB 3.22Å; I628-A631 PolarHBondContact O-N 3.24Å; I628-A631 VanDerWaalsContact O-N 3.12Å; A631-V633 VanDerWaalsContact C-N 3.28Å; A631-V633 PolarHBondContact O-N 2.83Å; A631-S634 WeakPolarHBondContact O-CB 3.45Å; A631-S634 PolarHBondContact O-N 3.17Å; A631-S634 VanDerWaalsContact O-N 3.07Å; A631-S634 PolarHBondContact O-OG 3.23Å
632	L	98.1	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.2	-42.9	172	-63.4	176.1	0	0	0	112	M513 I526 I529 H563 I628 R629 K630 S634 G635 F636 L674 T690	M513-L632 HydrophobicContact CE-CD2 4.44Å; M513-L632 HydrophobicContact SD-CD2 3.54Å; M513-L632 VanDerWaalsContact SD-CD2 3.54Å; I526-L632 HydrophobicContact CD1-CD2 3.95Å; I526-L632 HydrophobicContact CD1-CG 4.37Å; I529-L632 HydrophobicContact CG2-CD2 4.26Å; H563-L632 HydrophobicContact CB-CD1 3.76Å; H563-L632 HydrophobicContact CB-CD2 4.44Å; I628-L632 WeakPolarHBondContact O-CG 3.37Å; I628-L632 PolarHBondContact O-N 3.46Å; R629-L632 WeakPolarHBondContact O-CB 3.35Å; R629-L632 PolarHBondContact O-N 3.13Å; K630-L632 VanDerWaalsContact C-N 3.32Å; K630-L632 PolarHBondContact O-N 3.42Å; L632-S634 PolarHBondContact O-N 3.49Å; L632-G635 PolarHBondContact O-N 3.23Å; L632-F636 PolarHBondContact O-N 3.21Å; L632-L674 HydrophobicContact CB-CD1 4.04Å; L632-L674 HydrophobicContact CB-CD2 4.4Å; L632-T690 HydrophobicContact CD1-CG2 3.93Å
633	V	98.1	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-34.7	178	176.1	0	0	0	0	111.2	R629 K630 A631 G635 F636 F637 L674 V692 L697 I700	R629-V633 PolarHBondContact O-N 3.43Å; K630-V633 WeakPolarHBondContact O-CB 3.46Å; K630-V633 PolarHBondContact O-N 3.25Å; K630-V633 VanDerWaalsContact O-N 3.15Å; A631-V633 VanDerWaalsContact C-N 3.28Å; A631-V633 PolarHBondContact O-N 2.83Å; V633-G635 PolarHBondContact O-N 2.84Å; V633-G635 VanDerWaalsContact O-N 3.17Å; V633-F636 PolarHBondContact O-N 2.85Å; V633-F637 HydrophobicContact CG1-CB 4.12Å; V633-F637 WeakPolarHBondContact O-CA 3.48Å; V633-F637 WeakPolarHBondContact O-CB 3.45Å; V633-F637 WeakPolarHBondContact O-CD1 3.35Å; V633-F637 PolarHBondContact O-N 2.88Å; V633-L674 HydrophobicContact CB-CD1 4.47Å; V633-L674 HydrophobicContact CG2-CD1 3.98Å; V633-V692 HydrophobicContact CG2-CB 4.28Å; V633-V692 HydrophobicContact CG2-CG1 3.8Å; V633-L697 HydrophobicContact CG1-CD2 3.88Å; V633-L697 HydrophobicContact CG2-CD2 4.35Å; V633-I700 HydrophobicContact CB-CD1 3.99Å; V633-I700 HydrophobicContact CG1-CB 4.07Å; V633-I700 HydrophobicContact CG1-CD1 4Å; V633-I700 HydrophobicContact CG1-CG2 4.14Å
634	S	97	Very high	97	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-28.1	-178	73.6	0	0	0	0	114.8	K512 A516 K630 A631 L632 F637	K512-S634 WeakPolarHBondContact CG-O 3.42Å; A516-S634 WeakPolarHBondContact CB-OG 3.48Å; K630-S634 PolarHBondContact O-N 2.72Å; A631-S634 WeakPolarHBondContact O-CB 3.45Å; A631-S634 PolarHBondContact O-N 3.17Å; A631-S634 VanDerWaalsContact O-N 3.07Å; A631-S634 PolarHBondContact O-OG 3.23Å; L632-S634 PolarHBondContact O-N 3.49Å; S634-F637 WeakPolarHBondContact O-CD1 3.33Å; S634-F637 WeakPolarHBondContact O-CE1 3.18Å
635	G	95.9	Very high	96.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-102.5	-33.9	176.1	0	0	0	0	0	113.9	Q509 L632 V633	Q509-G635 VanDerWaalsContact CB-O 3.3Å; Q509-G635 WeakPolarHBondContact CB-O 3.24Å; Q509-G635 VanDerWaalsContact CG-O 3.27Å; Q509-G635 WeakPolarHBondContact CG-O 3.25Å; Q509-G635 VanDerWaalsContact O-CA 3.32Å; Q509-G635 WeakPolarHBondContact O-CA 3.24Å; L632-G635 PolarHBondContact O-N 3.23Å; V633-G635 PolarHBondContact O-N 2.84Å; V633-G635 VanDerWaalsContact O-N 3.17Å
636	F	96.7	Very high	96.4	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-111.5	21.6	-170.7	-70	-79.6	0	0	0	113.8	Q509 L510 M513 L632 V633 M638 Q639 L674 N676	Q509-F636 HydrophobicContact CB-CD1 4.36Å; Q509-F636 HydrophobicContact CB-CE1 4.18Å; Q509-F636 HydrophobicContact CB-CZ 4.41Å; L510-F636 HydrophobicContact CD2-CE2 3.66Å; L510-F636 HydrophobicContact CD2-CZ 3.6Å; L510-F636 HydrophobicContact CG-CE2 4.46Å; L510-F636 HydrophobicContact CG-CZ 4.07Å; M513-F636 HydrophobicContact CE-CE2 4.2Å; M513-F636 HydrophobicContact SD-CD2 3.89Å; M513-F636 HydrophobicContact SD-CE2 3.76Å; L632-F636 PolarHBondContact O-N 3.21Å; V633-F636 PolarHBondContact O-N 2.85Å; F636-M638 PolarHBondContact O-N 3.06Å; F636-M638 VanDerWaalsContact O-N 3.1Å; F636-Q639 HydrophobicContact CD1-CB 4.41Å; F636-Q639 HydrophobicContact CD1-CG 4.44Å; F636-Q639 VanDerWaalsContact CD1-NE2 3.27Å; F636-Q639 CarbonylContact O-C 3.53Å; F636-Q639 PolarHBondContact O-N 2.78Å; F636-L674 HydrophobicContact CB-CD1 3.8Å; F636-L674 HydrophobicContact CB-CD2 3.79Å; F636-L674 HydrophobicContact CB-CG 3.84Å; F636-L674 HydrophobicContact CG-CD2 4.34Å; F636-N676 VanDerWaalsContact CZ-OD1 3.32Å; F636-N676 WeakPolarHBondContact CZ-OD1 3.46Å
637	F	96.6	Very high	96.2	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.026	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.4	178.3	59.3	-94.8	0	0	0	114	Y484 L485 V633 S634 V640 A701 Y704 Y705	Y484-F637 WeakPolarHBondContact O-CZ 3.38Å; L485-F637 HydrophobicContact CD2-CE1 3.79Å; L485-F637 HydrophobicContact CD2-CZ 4.11Å; V633-F637 HydrophobicContact CG1-CB 4.12Å; V633-F637 WeakPolarHBondContact O-CA 3.48Å; V633-F637 WeakPolarHBondContact O-CB 3.45Å; V633-F637 WeakPolarHBondContact O-CD1 3.35Å; V633-F637 PolarHBondContact O-N 2.88Å; S634-F637 WeakPolarHBondContact O-CD1 3.33Å; S634-F637 WeakPolarHBondContact O-CE1 3.18Å; F637-V640 WeakPolarHBondContact O-CG2 3.39Å; F637-A701 HydrophobicContact CB-CB 3.61Å; F637-A701 HydrophobicContact CD1-CB 3.91Å; F637-A701 HydrophobicContact CD2-CB 3.54Å; F637-A701 HydrophobicContact CE1-CB 4.47Å; F637-A701 HydrophobicContact CE2-CB 4.16Å; F637-A701 HydrophobicContact CG-CB 3.41Å; F637-A701 VanDerWaalsContact CG-CB 3.41Å; F637-Y704 HydrophobicContact CD2-CD1 4.02Å; F637-Y704 AromaticContact CD2-CG 3.85Å; F637-Y704 HydrophobicContact CD2-CG 3.85Å; F637-Y704 HydrophobicContact CE2-CD2 4.28Å; F637-Y704 AromaticContact CE2-CG 3.92Å; F637-Y704 HydrophobicContact CE2-CG 3.92Å; F637-Y705 HydrophobicContact CB-CE2 4.09Å; F637-Y705 WeakPolarHBondContact O-CE2 3.45Å; F637-Y705 PolarHBondContact O-OH 3.49Å
638	M	94.7	Very high	96	Very high	25 Å²	25	30.9 Å²	30.9	12%	0.123	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.4	174	-57.8	176	68.7	0	0	113	L481 Y484 F636 V640 Y704	L481-M638 HydrophobicContact CD1-CE 4.2Å; L481-M638 HydrophobicContact CD1-SD 3.47Å; L481-M638 WeakPolarHBondContact CD1-SD 3.37Å; Y484-M638 HydrophobicContact CD2-CE 4.07Å; Y484-M638 HydrophobicContact CD2-SD 4.27Å; F636-M638 PolarHBondContact O-N 3.06Å; F636-M638 VanDerWaalsContact O-N 3.1Å; M638-V640 PolarHBondContact O-N 3.08Å; M638-Y704 HydrophobicContact CB-CE1 4.4Å; M638-Y704 HydrophobicContact CB-CE2 4.34Å; M638-Y704 HydrophobicContact CE-CD2 4.37Å; M638-Y704 HydrophobicContact CE-CE2 3.76Å; M638-Y704 HydrophobicContact CG-CD1 4.42Å; M638-Y704 HydrophobicContact CG-CD2 3.89Å; M638-Y704 HydrophobicContact CG-CE1 4.24Å; M638-Y704 HydrophobicContact CG-CE2 3.7Å; M638-Y704 HydrophobicContact CG-CG 4.24Å; M638-Y704 HydrophobicContact SD-CD2 4.5Å; M638-Y704 HydrophobicContact SD-CE2 4.34Å
639	Q	95.3	Very high	95.9	Very high	39 Å²	39	31 Å²	31	18%	0.182	15%	0.15	C	C	.	.	S	Bend	trans	-102.6	64.1	-179	-66.9	-175.9	-174.3	0	0	110.5	F636 L674 Y675 N676	F636-Q639 HydrophobicContact CD1-CB 4.41Å; F636-Q639 HydrophobicContact CD1-CG 4.44Å; F636-Q639 VanDerWaalsContact CD1-NE2 3.27Å; F636-Q639 CarbonylContact O-C 3.53Å; F636-Q639 PolarHBondContact O-N 2.78Å; Q639-L674 WeakPolarHBondContact O-CA 3.49Å; Q639-Y675 VanDerWaalsContact C-CD1 3.5Å; Q639-Y675 HydrophobicContact CB-CD1 4.3Å; Q639-Y675 HydrophobicContact CB-CD2 4.06Å; Q639-Y675 HydrophobicContact CB-CE1 4.03Å; Q639-Y675 HydrophobicContact CB-CE2 3.77Å; Q639-Y675 HydrophobicContact CB-CG 4.31Å; Q639-Y675 WeakPolarHBondContact CB-O 3.37Å; Q639-Y675 HydrophobicContact CG-CE2 3.99Å; Q639-Y675 PolarHBondContact NE2-O 3.47Å; Q639-Y675 WeakPolarHBondContact O-CD1 3.49Å; Q639-Y675 WeakPolarHBondContact O-CE1 3.47Å; Q639-Y675 PolarHBondContact O-N 2.93Å; Q639-N676 VanDerWaalsContact NE2-C 3.28Å; Q639-N676 PolarHBondContact NE2-O 2.94Å
640	V	97.4	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.6	-179.3	176.5	0	0	0	0	109.7	F637 M638 V652 W672 V673 L697 Y705	F637-V640 WeakPolarHBondContact O-CG2 3.39Å; M638-V640 PolarHBondContact O-N 3.08Å; V640-V652 HydrophobicContact CB-CB 4.49Å; V640-V652 HydrophobicContact CB-CG2 3.96Å; V640-V652 HydrophobicContact CG1-CG2 3.9Å; V640-V652 PolarHBondContact O-N 2.84Å; V640-W672 HydrophobicContact CG1-CE3 3.88Å; V640-W672 HydrophobicContact CG1-CZ3 4.35Å; V640-V673 CarbonylContact C-O 3.56Å; V640-V673 VanDerWaalsContact CA-O 3.3Å; V640-V673 WeakPolarHBondContact CA-O 3.42Å; V640-L697 HydrophobicContact CG1-CD1 3.94Å; V640-L697 HydrophobicContact CG1-CD2 4.48Å; V640-L697 HydrophobicContact CG2-CD2 3.91Å; V640-Y705 WeakPolarHBondContact CB-OH 3.37Å; V640-Y705 WeakPolarHBondContact CG2-OH 3.21Å
641	A	97.4	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.2	173.3	0	0	0	0	0	111.5	Y649 L650 V658 V673 Y675 I686	A641-Y649 HydrophobicContact CB-CD1 4.05Å; A641-Y649 HydrophobicContact CB-CG 4.43Å; A641-L650 CarbonylContact C-O 3.29Å; A641-L650 VanDerWaalsContact CA-O 3.24Å; A641-L650 WeakPolarHBondContact CA-O 3.26Å; A641-V658 HydrophobicContact CB-CG2 4.28Å; A641-V673 HydrophobicContact CB-CG2 4Å; A641-V673 PolarHBondContact N-O 3.39Å; A641-V673 PolarHBondContact O-N 2.93Å; A641-Y675 HydrophobicContact CB-CE1 4.47Å; A641-I686 HydrophobicContact CB-CD1 3.92Å
642	H	97.6	Very high	95.5	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.032	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.5	179.1	172.8	-104.4	0	0	0	110.4	E644 Y649 L650 E671 W672 A715 I718	H642-E644 IonicContact CE1-OE1 2.77Å; H642-E644 PolarHBondContact CE1-OE1 3.03Å; H642-E644 IonicContact ND1-OE1 2.75Å; H642-E644 PolarHBondContact ND1-OE1 3.4Å; H642-E644 PolarHBondContact O-N 3.17Å; H642-Y649 CarbonylContact O-C 3.57Å; H642-Y649 VanDerWaalsContact O-CA 3.26Å; H642-Y649 WeakPolarHBondContact O-CA 3.29Å; H642-L650 PolarHBondContact N-O 3.35Å; H642-L650 PolarHBondContact O-N 2.97Å; H642-E671 WeakPolarHBondContact CA-O 3.49Å; H642-W672 HydrophobicContact CB-CE3 4.32Å; H642-W672 HydrophobicContact CB-CH2 4.39Å; H642-W672 HydrophobicContact CB-CZ3 4.24Å; H642-W672 AromaticContact CD2-CE2 3.46Å; H642-W672 VanDerWaalsContact CD2-CE2 3.46Å; H642-W672 AromaticContact CD2-CZ2 3.57Å; H642-W672 AromaticContact CD2-NE1 3.65Å; H642-A715 HydrophobicContact CB-CB 3.77Å; H642-I718 WeakPolarHBondContact NE2-CD1 3.32Å
643	L	97	Very high	95.1	Very high	41 Å²	41	30.8 Å²	30.8	22%	0.215	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.7	176.9	-178.1	65.4	0	0	0	110.5	Y649 K669 E671	L643-Y649 HydrophobicContact CB-CD1 4.13Å; L643-Y649 HydrophobicContact CB-CE1 3.69Å; L643-Y649 HydrophobicContact CD1-CD2 4.09Å; L643-Y649 HydrophobicContact CD1-CE1 4.25Å; L643-Y649 HydrophobicContact CD1-CE2 3.75Å; L643-Y649 HydrophobicContact CD1-CG 4.49Å; L643-K669 HydrophobicContact CD1-CB 4.29Å; L643-K669 HydrophobicContact CD1-CD 4.11Å; L643-K669 HydrophobicContact CD2-CB 3.94Å; L643-E671 PolarHBondContact N-O 2.73Å
644	E	94.5	Very high	94.6	Very high	34 Å²	34	32.4 Å²	32.4	16%	0.159	16%	0.16	C	C	.	.			trans	-78	156.9	173.4	-68.5	-62.9	121.3	0	0	111.2	H642 T646 G647 H648 L650	H642-E644 IonicContact CE1-OE1 2.77Å; H642-E644 PolarHBondContact CE1-OE1 3.03Å; H642-E644 IonicContact ND1-OE1 2.75Å; H642-E644 PolarHBondContact ND1-OE1 3.4Å; H642-E644 PolarHBondContact O-N 3.17Å; E644-T646 PolarHBondContact O-N 2.99Å; E644-G647 PolarHBondContact O-N 3.19Å; E644-H648 PolarHBondContact N-O 3.21Å; E644-L650 HydrophobicContact CG-CB 4.06Å
645	R	90.9	Very high	94.3	Very high	223 Å²	223	35 Å²	35	84%	0.842	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24	-178.9	-57.7	-178.4	-168	-161.3	-2.9	113.9	G647 D714	R645-G647 VanDerWaalsContact C-N 3.25Å; R645-D714 IonicContact CZ-OD2 3.49Å; R645-D714 IonicContact NE-OD2 3.32Å; R645-D714 PolarHBondContact NE-OD2 2.7Å; R645-D714 IonicContact NH2-OD2 2.76Å
646	T	90.9	Very high	94.1	Very high	107 Å²	107	37.1 Å²	37.1	66%	0.656	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.8	177.2	51.4	0	0	0	0	112.9	E644 H648	E644-T646 PolarHBondContact O-N 2.99Å; T646-H648 PolarHBondContact OG1-CE1 2.59Å; T646-H648 PolarHBondContact OG1-ND1 2.78Å
647	G	92	Very high	94.1	Very high	26 Å²	26	40.4 Å²	40.4	27%	0.268	20%	0.204	S	C	.	.	S	Bend	trans	90	1.2	172.5	0	0	0	0	0	115.6	E644 R645 K669	E644-G647 PolarHBondContact O-N 3.19Å; R645-G647 VanDerWaalsContact C-N 3.25Å; G647-K669 PolarHBondContact O-NZ 3.47Å
648	H	93.3	Very high	94	Very high	60 Å²	60	40.2 Å²	40.2	28%	0.278	20%	0.203	S	C	.	.			trans	-91.9	162.9	166.9	63.9	-100.5	0	0	0	110.9	E644 T646 V657	E644-H648 PolarHBondContact N-O 3.21Å; T646-H648 PolarHBondContact OG1-CE1 2.59Å; T646-H648 PolarHBondContact OG1-ND1 2.78Å; H648-V657 HydrophobicContact CB-CG1 4.13Å
649	Y	96.9	Very high	94.1	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	149.7	173.9	-78	-91.9	0	0	0	110.7	A641 H642 L643 V657 V658 L660 K669 P670 V673	A641-Y649 HydrophobicContact CB-CD1 4.05Å; A641-Y649 HydrophobicContact CB-CG 4.43Å; H642-Y649 CarbonylContact O-C 3.57Å; H642-Y649 VanDerWaalsContact O-CA 3.26Å; H642-Y649 WeakPolarHBondContact O-CA 3.29Å; L643-Y649 HydrophobicContact CB-CD1 4.13Å; L643-Y649 HydrophobicContact CB-CE1 3.69Å; L643-Y649 HydrophobicContact CD1-CD2 4.09Å; L643-Y649 HydrophobicContact CD1-CE1 4.25Å; L643-Y649 HydrophobicContact CD1-CE2 3.75Å; L643-Y649 HydrophobicContact CD1-CG 4.49Å; Y649-V657 WeakPolarHBondContact O-CA 3.32Å; Y649-V658 PolarHBondContact N-O 3.22Å; Y649-V658 PolarHBondContact O-N 3.04Å; Y649-L660 HydrophobicContact CD2-CD2 4.04Å; Y649-L660 HydrophobicContact CD2-CG 4.2Å; Y649-L660 HydrophobicContact CE2-CD1 4.06Å; Y649-L660 HydrophobicContact CE2-CD2 3.7Å; Y649-L660 HydrophobicContact CE2-CG 3.68Å; Y649-K669 HydrophobicContact CE2-CB 4.39Å; Y649-K669 HydrophobicContact CE2-CD 4.41Å; Y649-K669 HydrophobicContact CE2-CG 4.34Å; Y649-K669 VanDerWaalsContact OH-C 3.26Å; Y649-K669 WeakPolarHBondContact OH-CA 3.36Å; Y649-K669 WeakPolarHBondContact OH-CB 3.3Å; Y649-P670 VanDerWaalsContact CE1-O 3.29Å; Y649-P670 WeakPolarHBondContact CE1-O 3.24Å; Y649-P670 VanDerWaalsContact CZ-O 3.32Å; Y649-P670 WeakPolarHBondContact OH-CD 3.37Å; Y649-P670 PolarHBondContact OH-O 2.98Å; Y649-V673 HydrophobicContact CD1-CG2 3.75Å; Y649-V673 HydrophobicContact CE1-CB 4.37Å; Y649-V673 HydrophobicContact CE1-CG1 3.93Å; Y649-V673 HydrophobicContact CE1-CG2 3.58Å
650	L	96	Very high	94.1	Very high	25 Å²	25	42.4 Å²	42.4	13%	0.131	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.7	173.6	-166	71.3	0	0	0	109.3	A641 H642 E644 N655 Q656 V657 C713	A641-L650 CarbonylContact C-O 3.29Å; A641-L650 VanDerWaalsContact CA-O 3.24Å; A641-L650 WeakPolarHBondContact CA-O 3.26Å; H642-L650 PolarHBondContact N-O 3.35Å; H642-L650 PolarHBondContact O-N 2.97Å; E644-L650 HydrophobicContact CG-CB 4.06Å; L650-N655 HydrophobicContact CD1-CB 4.04Å; L650-N655 VanDerWaalsContact CD1-O 3.25Å; L650-N655 WeakPolarHBondContact CD1-O 3.33Å; L650-N655 HydrophobicContact CD2-CB 4.21Å; L650-N655 WeakPolarHBondContact CD2-OD1 3.48Å; L650-N655 HydrophobicContact CG-CB 4.23Å; L650-Q656 WeakPolarHBondContact CA-O 3.49Å; L650-V657 HydrophobicContact CD1-CG2 4.17Å; L650-C713 HydrophobicContact CD2-CB 4.48Å
651	T	95.3	Very high	94	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.7	176.3	63.3	0	0	0	0	111.3	N655 Q656 V658 Y675 F678	T651-N655 WeakPolarHBondContact O-CA 3.5Å; T651-N655 PolarHBondContact O-N 2.99Å; T651-N655 VanDerWaalsContact O-N 3.09Å; T651-Q656 HydrophobicContact CG2-CB 4.06Å; T651-Q656 PolarHBondContact N-O 3.44Å; T651-Q656 WeakPolarHBondContact OG1-CB 3.21Å; T651-Q656 PolarHBondContact OG1-N 2.99Å; T651-V658 HydrophobicContact CG2-CG1 3.97Å; T651-V658 HydrophobicContact CG2-CG2 4.12Å; T651-Y675 HydrophobicContact CG2-CE1 4.23Å; T651-F678 HydrophobicContact CG2-CE2 4.49Å
652	V	93.4	Very high	93.8	Very high	5 Å²	5	49 Å²	49	3%	0.03	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	138.7	178.6	166.7	0	0	0	0	110.8	V640 D654 W672 Y704 Y705 F710	V640-V652 HydrophobicContact CB-CB 4.49Å; V640-V652 HydrophobicContact CB-CG2 3.96Å; V640-V652 HydrophobicContact CG1-CG2 3.9Å; V640-V652 PolarHBondContact O-N 2.84Å; V652-D654 PolarHBondContact O-N 3.01Å; V652-W672 HydrophobicContact CG2-CZ3 4.12Å; V652-Y704 HydrophobicContact CG1-CE1 3.87Å; V652-Y705 HydrophobicContact CG1-CE1 3.83Å; V652-Y705 HydrophobicContact CG2-CE1 4.36Å; V652-F710 HydrophobicContact CB-CZ 4.44Å; V652-F710 HydrophobicContact CG1-CE2 3.57Å; V652-F710 HydrophobicContact CG1-CZ 3.51Å; V652-F710 HydrophobicContact CG2-CZ 4.44Å
653	K	89.7	Confident	93.5	Very high	29 Å²	29	50.2 Å²	50.2	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-43.3	-176	-64.9	-157.6	-175.3	-167.9	0	116.7	Y704 N709 F710	K653-Y704 HydrophobicContact CD-CE1 4.18Å; K653-Y704 HydrophobicContact CD-CE2 3.87Å; K653-Y704 WeakPolarHBondContact CE-O 3.45Å; K653-Y704 HydrophobicContact CG-CE1 4.22Å; K653-Y704 PolarHBondContact NZ-O 3.04Å; K653-N709 PolarHBondContact NZ-OD1 3.27Å; K653-F710 HydrophobicContact CG-CD2 4.37Å; K653-F710 HydrophobicContact CG-CE2 4.29Å
654	D	88.3	Confident	93.4	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-8.4	-174.9	-61.7	-41	0	0	0	113.8	R391 V652 Q656	R391-D654 IonicContact CZ-OD1 3.85Å; R391-D654 IonicContact CZ-OD2 3.59Å; R391-D654 IonicContact NE-OD1 3.46Å; R391-D654 PolarHBondContact NE-OD1 3.42Å; R391-D654 IonicContact NE-OD2 2.73Å; R391-D654 PolarHBondContact NE-OD2 3.48Å; R391-D654 VanDerWaalsContact NH2-CG 3.28Å; R391-D654 IonicContact NH2-OD1 3.95Å; R391-D654 PolarHBondContact NH2-OD1 2.88Å; R391-D654 IonicContact NH2-OD2 3.42Å; R391-D654 PolarHBondContact NH2-OD2 2.84Å; V652-D654 PolarHBondContact O-N 3.01Å; D654-Q656 HydrophobicContact CB-CG 4.34Å; D654-Q656 PolarHBondContact O-N 2.89Å; D654-Q656 VanDerWaalsContact O-N 3.13Å; D654-Q656 PolarHBondContact O-NE2 3.38Å
655	N	90.5	Very high	93.4	Very high	61 Å²	61	48.5 Å²	48.5	33%	0.326	26%	0.256	S	S	.	.			trans	50.3	38.6	174.1	-65.1	-25.5	0	0	0	114.2	L650 T651	L650-N655 HydrophobicContact CD1-CB 4.04Å; L650-N655 VanDerWaalsContact CD1-O 3.25Å; L650-N655 WeakPolarHBondContact CD1-O 3.33Å; L650-N655 HydrophobicContact CD2-CB 4.21Å; L650-N655 WeakPolarHBondContact CD2-OD1 3.48Å; L650-N655 HydrophobicContact CG-CB 4.23Å; T651-N655 WeakPolarHBondContact O-CA 3.5Å; T651-N655 PolarHBondContact O-N 2.99Å; T651-N655 VanDerWaalsContact O-N 3.09Å
656	Q	92.6	Very high	93.5	Very high	46 Å²	46	38.8 Å²	38.8	22%	0.215	22%	0.221	C	C	.	.			trans	-82	126.9	176	-60.5	-57.7	-59.6	0	0	110	I390 L650 T651 D654 V658 F678	I390-Q656 HydrophobicContact CB-CG 4.39Å; L650-Q656 WeakPolarHBondContact CA-O 3.49Å; T651-Q656 HydrophobicContact CG2-CB 4.06Å; T651-Q656 PolarHBondContact N-O 3.44Å; T651-Q656 WeakPolarHBondContact OG1-CB 3.21Å; T651-Q656 PolarHBondContact OG1-N 2.99Å; D654-Q656 HydrophobicContact CB-CG 4.34Å; D654-Q656 PolarHBondContact O-N 2.89Å; D654-Q656 VanDerWaalsContact O-N 3.13Å; D654-Q656 PolarHBondContact O-NE2 3.38Å; Q656-V658 HydrophobicContact CB-CG1 4.3Å; Q656-V658 PolarHBondContact O-N 3.31Å; Q656-F678 HydrophobicContact CB-CE2 4.04Å; Q656-F678 HydrophobicContact CB-CZ 4.44Å; Q656-F678 HydrophobicContact CG-CE2 4.45Å
657	V	95.1	Very high	93.5	Very high	77 Å²	77	40.2 Å²	40.2	47%	0.467	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.5	174	178.9	0	0	0	0	108.8	H648 Y649 L650 N684	H648-V657 HydrophobicContact CB-CG1 4.13Å; Y649-V657 WeakPolarHBondContact O-CA 3.32Å; L650-V657 HydrophobicContact CD1-CG2 4.17Å; V657-N684 WeakPolarHBondContact O-CB 3.45Å; V657-N684 PolarHBondContact O-ND2 3.35Å
658	V	95.7	Very high	93.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.1	-176.2	-58.7	0	0	0	0	112	A641 Y649 T651 Q656 F678 N684 I686	A641-V658 HydrophobicContact CB-CG2 4.28Å; Y649-V658 PolarHBondContact N-O 3.22Å; Y649-V658 PolarHBondContact O-N 3.04Å; T651-V658 HydrophobicContact CG2-CG1 3.97Å; T651-V658 HydrophobicContact CG2-CG2 4.12Å; Q656-V658 HydrophobicContact CB-CG1 4.3Å; Q656-V658 PolarHBondContact O-N 3.31Å; V658-F678 HydrophobicContact CG1-CD2 4.14Å; V658-F678 HydrophobicContact CG1-CE2 3.4Å; V658-F678 HydrophobicContact CG1-CZ 3.98Å; V658-N684 WeakPolarHBondContact CA-O 3.35Å; V658-N684 HydrophobicContact CG1-CB 3.95Å; V658-I686 HydrophobicContact CB-CG2 4.08Å; V658-I686 HydrophobicContact CG1-CG2 4.2Å; V658-I686 HydrophobicContact CG2-CD1 4.06Å; V658-I686 HydrophobicContact CG2-CG1 4.1Å; V658-I686 HydrophobicContact CG2-CG2 3.86Å
659	Q	96.2	Very high	93.5	Very high	84 Å²	84	45.3 Å²	45.3	39%	0.393	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.6	171.8	-59.1	-174.2	12.5	0	0	110.1	H661 N684 Y685 I686	Q659-H661 PolarHBondContact O-N 3.18Å; Q659-N684 PolarHBondContact N-O 2.66Å; Q659-Y685 HydrophobicContact CB-CD1 3.92Å; Q659-Y685 HydrophobicContact CB-CE1 4.08Å; Q659-Y685 CarbonylContact O-C 3.54Å; Q659-Y685 WeakPolarHBondContact O-CA 3.47Å; Q659-I686 PolarHBondContact O-N 2.9Å
660	L	96.5	Very high	93.4	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.2	170	-55.2	-174.4	0	0	0	108.8	Y649 T664 K669 V673 I686 V689	Y649-L660 HydrophobicContact CD2-CD2 4.04Å; Y649-L660 HydrophobicContact CD2-CG 4.2Å; Y649-L660 HydrophobicContact CE2-CD1 4.06Å; Y649-L660 HydrophobicContact CE2-CD2 3.7Å; Y649-L660 HydrophobicContact CE2-CG 3.68Å; L660-T664 HydrophobicContact CB-CG2 4.09Å; L660-K669 HydrophobicContact CD1-CG 4.47Å; L660-V673 HydrophobicContact CD2-CG2 4.3Å; L660-I686 HydrophobicContact CD2-CD1 3.9Å; L660-I686 HydrophobicContact CD2-CG1 4.09Å; L660-V689 HydrophobicContact CD2-CB 4.49Å; L660-V689 HydrophobicContact CD2-CG1 3.97Å; L660-V689 HydrophobicContact CD2-CG2 4.17Å
661	H	94.4	Very high	93.4	Very high	36 Å²	36	49.1 Å²	49.1	17%	0.167	26%	0.257	C	S	.	.			trans	-61.1	137.6	177.9	-172.5	-92.4	0	0	0	109.8	Q659 S663 T664 I686 R687	Q659-H661 PolarHBondContact O-N 3.18Å; H661-S663 VanDerWaalsContact ND1-CB 3.3Å; H661-S663 WeakPolarHBondContact ND1-CB 3.43Å; H661-S663 PolarHBondContact ND1-N 3.39Å; H661-S663 PolarHBondContact ND1-OG 3.22Å; H661-S663 PolarHBondContact O-N 2.92Å; H661-T664 WeakPolarHBondContact O-CB 3.44Å; H661-T664 WeakPolarHBondContact O-CG2 3.44Å; H661-T664 PolarHBondContact O-N 3.23Å; H661-I686 VanDerWaalsContact CB-O 3.27Å; H661-I686 WeakPolarHBondContact CB-O 3.31Å; H661-I686 PolarHBondContact N-O 3.31Å; H661-R687 HydrophobicContact CB-CB 3.86Å; H661-R687 HydrophobicContact CB-CG 4.17Å
662	P	92.6	Very high	93.6	Very high	102 Å²	102	49 Å²	49	66%	0.662	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-13.1	-176	-26.1	34.6	0	0	0	115.3	T664 Y685	P662-T664 VanDerWaalsContact C-N 3.33Å; P662-Y685 HydrophobicContact CG-CE1 4.32Å
663	S	92.3	Very high	93.8	Very high	33 Å²	33	48.8 Å²	48.8	23%	0.231	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.3	175.2	75.1	0	0	0	0	113.9	K553 H661	K553-S663 PolarHBondContact NZ-O 2.93Å; H661-S663 VanDerWaalsContact ND1-CB 3.3Å; H661-S663 WeakPolarHBondContact ND1-CB 3.43Å; H661-S663 PolarHBondContact ND1-N 3.39Å; H661-S663 PolarHBondContact ND1-OG 3.22Å; H661-S663 PolarHBondContact O-N 2.92Å
664	T	94.8	Very high	94.2	Very high	28 Å²	28	47.4 Å²	47.4	17%	0.172	25%	0.249	C	C	.	.			trans	-66	148	-179.2	-167.9	0	0	0	0	111.1	D562 L660 H661 P662 M666	D562-T664 WeakPolarHBondContact OD1-CA 3.39Å; D562-T664 PolarHBondContact OD1-OG1 3.09Å; D562-T664 WeakPolarHBondContact OD2-CB 3.43Å; D562-T664 PolarHBondContact OD2-OG1 3.01Å; L660-T664 HydrophobicContact CB-CG2 4.09Å; H661-T664 WeakPolarHBondContact O-CB 3.44Å; H661-T664 WeakPolarHBondContact O-CG2 3.44Å; H661-T664 PolarHBondContact O-N 3.23Å; P662-T664 VanDerWaalsContact C-N 3.33Å; T664-M666 VanDerWaalsContact C-N 3.25Å; T664-M666 HydrophobicContact CG2-CB 4.03Å; T664-M666 WeakPolarHBondContact OG1-CG 3.35Å; T664-M666 PolarHBondContact OG1-N 3.4Å
665	V	95.2	Very high	94.6	Very high	12 Å²	12	46.7 Å²	46.7	7%	0.073	24%	0.244	C	C	.	.			trans	-79.5	-8.3	172.6	-61.3	0	0	0	0	113.7	K553 M554 A557 D562 T565 D667	K553-V665 HydrophobicContact CD-CG1 4.49Å; K553-V665 HydrophobicContact CG-CG1 4.38Å; M554-V665 HydrophobicContact SD-CB 4.45Å; M554-V665 HydrophobicContact SD-CG1 4.47Å; A557-V665 HydrophobicContact CB-CB 3.8Å; A557-V665 HydrophobicContact CB-CG1 3.92Å; A557-V665 HydrophobicContact CB-CG2 4.32Å; D562-V665 PolarHBondContact OD1-N 2.86Å; T565-V665 HydrophobicContact CG2-CG1 3.92Å; T565-V665 VanDerWaalsContact OG1-CG2 3.31Å; T565-V665 WeakPolarHBondContact OG1-CG2 3.41Å; V665-D667 PolarHBondContact O-N 3.25Å
666	M	92.5	Very high	94.7	Very high	19 Å²	19	45.7 Å²	45.7	9%	0.094	24%	0.238	C	C	.	.			trans	-65.2	120.5	-176.2	-63	-62.8	-64	0	0	110.9	I559 G561 T664 H668 P670	I559-M666 VanDerWaalsContact O-SD 3.4Å; G561-M666 WeakPolarHBondContact CA-SD 3.29Å; T664-M666 VanDerWaalsContact C-N 3.25Å; T664-M666 HydrophobicContact CG2-CB 4.03Å; T664-M666 WeakPolarHBondContact OG1-CG 3.35Å; T664-M666 PolarHBondContact OG1-N 3.4Å; M666-H668 VanDerWaalsContact CE-CE1 3.44Å; M666-H668 WeakPolarHBondContact CE-CE1 3.06Å; M666-P670 HydrophobicContact CE-CG 3.26Å
667	D	89.6	Confident	94.6	Very high	137 Å²	137	46.8 Å²	46.8	73%	0.733	24%	0.243	S	C	*	.	S	Bend	trans	-87.5	-13.8	176.7	63.5	-9.8	0	0	0	113.2	V665	V665-D667 PolarHBondContact O-N 3.25Å
668	H	92.2	Very high	94.4	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.338	22%	0.224	S	C	.	.	S	Bend	trans	-127.1	171.9	176.7	66	-77.9	0	0	0	111	M666 P670 E691	M666-H668 VanDerWaalsContact CE-CE1 3.44Å; M666-H668 WeakPolarHBondContact CE-CE1 3.06Å; H668-P670 WeakPolarHBondContact O-CD 3.45Å; H668-E691 IonicContact NE2-OE2 3.77Å
669	K	94.3	Very high	94.1	Very high	119 Å²	119	44.7 Å²	44.7	52%	0.517	23%	0.23	S	C	.	.			trans	-106.9	98.7	175.7	-71.2	-175.8	177.1	-179.2	0	109.5	L643 G647 Y649 L660	L643-K669 HydrophobicContact CD1-CB 4.29Å; L643-K669 HydrophobicContact CD1-CD 4.11Å; L643-K669 HydrophobicContact CD2-CB 3.94Å; G647-K669 PolarHBondContact O-NZ 3.47Å; Y649-K669 HydrophobicContact CE2-CB 4.39Å; Y649-K669 HydrophobicContact CE2-CD 4.41Å; Y649-K669 HydrophobicContact CE2-CG 4.34Å; Y649-K669 VanDerWaalsContact OH-C 3.26Å; Y649-K669 WeakPolarHBondContact OH-CA 3.36Å; Y649-K669 WeakPolarHBondContact OH-CB 3.3Å; L660-K669 HydrophobicContact CD1-CG 4.47Å
670	P	95.3	Very high	93.5	Very high	8 Å²	8	44.1 Å²	44.1	5%	0.052	23%	0.229	C	C	.	.			trans	-66	149.7	175.6	-11.7	22.7	0	0	0	111.7	Y649 M666 H668 W672 V673 E691	Y649-P670 VanDerWaalsContact CE1-O 3.29Å; Y649-P670 WeakPolarHBondContact CE1-O 3.24Å; Y649-P670 VanDerWaalsContact CZ-O 3.32Å; Y649-P670 WeakPolarHBondContact OH-CD 3.37Å; Y649-P670 PolarHBondContact OH-O 2.98Å; M666-P670 HydrophobicContact CE-CG 3.26Å; H668-P670 WeakPolarHBondContact O-CD 3.45Å; P670-W672 PolarHBondContact O-N 3.41Å; P670-V673 HydrophobicContact CB-CG1 3.97Å; P670-V673 HydrophobicContact CG-CG1 3.85Å; P670-E691 HydrophobicContact CB-CB 4.03Å; P670-E691 HydrophobicContact CB-CG 3.59Å; P670-E691 HydrophobicContact CG-CB 3.92Å; P670-E691 HydrophobicContact CG-CG 4.03Å
671	E	96.1	Very high	92.9	Very high	98 Å²	98	46.5 Å²	46.5	46%	0.458	24%	0.244	S	C	.	.	S	Bend	trans	-59.8	-36.4	-179.9	-169.5	-170.1	146.8	0	0	112.2	H642 L643 I718	H642-E671 WeakPolarHBondContact CA-O 3.49Å; L643-E671 PolarHBondContact N-O 2.73Å; E671-I718 WeakPolarHBondContact OE1-CD1 3.4Å
672	W	97.9	Very high	92.5	Very high	3 Å²	3	52 Å²	52	1%	0.011	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.4	-179.5	-66.6	82.1	0	0	0	110.7	V640 H642 V652 P670 V692 P694 L697 A715 I718 L719	V640-W672 HydrophobicContact CG1-CE3 3.88Å; V640-W672 HydrophobicContact CG1-CZ3 4.35Å; H642-W672 HydrophobicContact CB-CE3 4.32Å; H642-W672 HydrophobicContact CB-CH2 4.39Å; H642-W672 HydrophobicContact CB-CZ3 4.24Å; H642-W672 AromaticContact CD2-CE2 3.46Å; H642-W672 VanDerWaalsContact CD2-CE2 3.46Å; H642-W672 AromaticContact CD2-CZ2 3.57Å; H642-W672 AromaticContact CD2-NE1 3.65Å; V652-W672 HydrophobicContact CG2-CZ3 4.12Å; P670-W672 PolarHBondContact O-N 3.41Å; W672-V692 HydrophobicContact CB-CG2 4.16Å; W672-V692 WeakPolarHBondContact CB-O 3.39Å; W672-V692 PolarHBondContact O-N 3.13Å; W672-V692 VanDerWaalsContact O-N 3.12Å; W672-P694 HydrophobicContact CD2-CB 4.05Å; W672-P694 HydrophobicContact CG-CB 4.24Å; W672-P694 HydrophobicContact CG-CG 4.42Å; W672-P694 HydrophobicContact CZ2-CB 4.17Å; W672-L697 HydrophobicContact CD2-CD1 4.41Å; W672-L697 HydrophobicContact CE3-CD1 3.6Å; W672-L697 HydrophobicContact CZ3-CD1 3.76Å; W672-A715 HydrophobicContact CH2-CB 3.56Å; W672-A715 HydrophobicContact CZ2-CB 4.15Å; W672-A715 HydrophobicContact CZ3-CB 4.25Å; W672-I718 HydrophobicContact CZ2-CB 4.2Å; W672-I718 HydrophobicContact CZ2-CD1 4.48Å; W672-I718 HydrophobicContact CZ2-CG2 4.06Å; W672-L719 HydrophobicContact CH2-CD1 3.74Å; W672-L719 HydrophobicContact CH2-CD2 3.91Å; W672-L719 HydrophobicContact CH2-CG 3.67Å; W672-L719 HydrophobicContact CZ2-CD2 4.29Å; W672-L719 HydrophobicContact CZ2-CG 4.15Å; W672-L719 HydrophobicContact CZ3-CD1 4.31Å; W672-L719 HydrophobicContact CZ3-CD2 4.45Å
673	V	98.1	Very high	92.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.5	-178.8	-62.8	0	0	0	0	111.7	V640 A641 Y649 L660 P670 I686 V689 T690	V640-V673 CarbonylContact C-O 3.56Å; V640-V673 VanDerWaalsContact CA-O 3.3Å; V640-V673 WeakPolarHBondContact CA-O 3.42Å; A641-V673 HydrophobicContact CB-CG2 4Å; A641-V673 PolarHBondContact N-O 3.39Å; A641-V673 PolarHBondContact O-N 2.93Å; Y649-V673 HydrophobicContact CD1-CG2 3.75Å; Y649-V673 HydrophobicContact CE1-CB 4.37Å; Y649-V673 HydrophobicContact CE1-CG1 3.93Å; Y649-V673 HydrophobicContact CE1-CG2 3.58Å; L660-V673 HydrophobicContact CD2-CG2 4.3Å; P670-V673 HydrophobicContact CB-CG1 3.97Å; P670-V673 HydrophobicContact CG-CG1 3.85Å; V673-I686 HydrophobicContact CG2-CD1 3.73Å; V673-V689 HydrophobicContact CB-CG1 3.41Å; V673-V689 VanDerWaalsContact CB-CG1 3.41Å; V673-V689 HydrophobicContact CG1-CG1 3.8Å; V673-V689 HydrophobicContact CG2-CG1 3.87Å; V673-T690 WeakPolarHBondContact CA-O 3.32Å
674	L	98	Very high	92.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.5	168.4	-179.6	155.7	0	0	0	108.4	L632 V633 F636 Q639 V689 T690 V692	L632-L674 HydrophobicContact CB-CD1 4.04Å; L632-L674 HydrophobicContact CB-CD2 4.4Å; V633-L674 HydrophobicContact CB-CD1 4.47Å; V633-L674 HydrophobicContact CG2-CD1 3.98Å; F636-L674 HydrophobicContact CB-CD1 3.8Å; F636-L674 HydrophobicContact CB-CD2 3.79Å; F636-L674 HydrophobicContact CB-CG 3.84Å; F636-L674 HydrophobicContact CG-CD2 4.34Å; Q639-L674 WeakPolarHBondContact O-CA 3.49Å; L674-V689 CarbonylContact O-C 3.59Å; L674-V689 VanDerWaalsContact O-CA 3.32Å; L674-V689 WeakPolarHBondContact O-CA 3.49Å; L674-T690 PolarHBondContact N-O 3Å; L674-T690 PolarHBondContact O-N 2.83Å; L674-V692 HydrophobicContact CB-CG1 3.69Å; L674-V692 HydrophobicContact CB-CG2 4.25Å; L674-V692 HydrophobicContact CD1-CG1 4.15Å
675	Y	97.1	Very high	92.4	Very high	18 Å²	18	53.6 Å²	53.6	7%	0.071	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	151.9	179.8	64.7	-90.3	0	0	0	112	Q639 A641 T651 F678 I686 T688	Q639-Y675 VanDerWaalsContact C-CD1 3.5Å; Q639-Y675 HydrophobicContact CB-CD1 4.3Å; Q639-Y675 HydrophobicContact CB-CD2 4.06Å; Q639-Y675 HydrophobicContact CB-CE1 4.03Å; Q639-Y675 HydrophobicContact CB-CE2 3.77Å; Q639-Y675 HydrophobicContact CB-CG 4.31Å; Q639-Y675 WeakPolarHBondContact CB-O 3.37Å; Q639-Y675 HydrophobicContact CG-CE2 3.99Å; Q639-Y675 PolarHBondContact NE2-O 3.47Å; Q639-Y675 WeakPolarHBondContact O-CD1 3.49Å; Q639-Y675 WeakPolarHBondContact O-CE1 3.47Å; Q639-Y675 PolarHBondContact O-N 2.93Å; A641-Y675 HydrophobicContact CB-CE1 4.47Å; T651-Y675 HydrophobicContact CG2-CE1 4.23Å; Y675-F678 HydrophobicContact CE2-CB 4.36Å; Y675-I686 HydrophobicContact CD1-CB 4.13Å; Y675-I686 HydrophobicContact CD1-CD1 4.05Å; Y675-I686 HydrophobicContact CD1-CG2 3.77Å; Y675-I686 HydrophobicContact CD2-CB 4.1Å; Y675-I686 HydrophobicContact CD2-CG2 3.75Å; Y675-I686 HydrophobicContact CE1-CG2 4Å; Y675-I686 HydrophobicContact CE2-CG2 3.98Å; Y675-I686 HydrophobicContact CG-CB 3.74Å; Y675-I686 HydrophobicContact CG-CD1 4.35Å; Y675-I686 HydrophobicContact CG-CG2 3.65Å; Y675-T688 WeakPolarHBondContact CA-O 3.33Å
676	N	93.4	Very high	92.4	Very high	39 Å²	39	53 Å²	53	21%	0.209	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-37.2	176.2	-176.2	81.6	0	0	0	112.6	L533 F636 Q639 R687 T688	L533-N676 HydrophobicContact CD2-CB 4.42Å; F636-N676 VanDerWaalsContact CZ-OD1 3.32Å; F636-N676 WeakPolarHBondContact CZ-OD1 3.46Å; Q639-N676 VanDerWaalsContact NE2-C 3.28Å; Q639-N676 PolarHBondContact NE2-O 2.94Å; N676-R687 PolarHBondContact N-O 3.04Å; N676-T688 HydrophobicContact CB-CG2 4.19Å; N676-T688 PolarHBondContact N-O 2.84Å; N676-T688 VanDerWaalsContact N-O 3.1Å
677	E	90.5	Very high	92.4	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.322	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.3	-171	-175.1	-174.1	179	0	0	112.3	V679 I686 R687	E677-V679 HydrophobicContact CG-CG2 4.07Å; E677-I686 WeakPolarHBondContact O-CA 3.48Å; E677-R687 HydrophobicContact CB-CB 4.4Å; E677-R687 PolarHBondContact N-O 2.88Å; E677-R687 PolarHBondContact O-N 2.87Å; E677-R687 IonicContact OE1-CZ 3.75Å; E677-R687 IonicContact OE1-NH2 3.8Å; E677-R687 PolarHBondContact OE1-NH2 3.43Å; E677-R687 IonicContact OE2-CZ 3.03Å; E677-R687 IonicContact OE2-NE 3.92Å; E677-R687 PolarHBondContact OE2-NE 3.2Å; E677-R687 IonicContact OE2-NH2 3.34Å; E677-R687 PolarHBondContact OE2-NH2 2.86Å
678	F	90.7	Very high	92.7	Very high	14 Å²	14	49.5 Å²	49.5	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.3	168.2	-170.7	-72.5	0	0	0	109.5	V392 T651 Q656 V658 Y675 L680 N684 I686	V392-F678 HydrophobicContact CB-CD1 4.37Å; V392-F678 HydrophobicContact CB-CG 4.46Å; V392-F678 HydrophobicContact CG1-CB 4.01Å; V392-F678 HydrophobicContact CG1-CD1 3.38Å; V392-F678 HydrophobicContact CG1-CE1 3.94Å; V392-F678 HydrophobicContact CG1-CG 3.76Å; V392-F678 HydrophobicContact CG2-CB 4.29Å; V392-F678 HydrophobicContact CG2-CD1 4.01Å; V392-F678 HydrophobicContact CG2-CD2 3.81Å; V392-F678 HydrophobicContact CG2-CE1 4.25Å; V392-F678 HydrophobicContact CG2-CE2 4.04Å; V392-F678 HydrophobicContact CG2-CG 3.78Å; V392-F678 HydrophobicContact CG2-CZ 4.25Å; T651-F678 HydrophobicContact CG2-CE2 4.49Å; Q656-F678 HydrophobicContact CB-CE2 4.04Å; Q656-F678 HydrophobicContact CB-CZ 4.44Å; Q656-F678 HydrophobicContact CG-CE2 4.45Å; V658-F678 HydrophobicContact CG1-CD2 4.14Å; V658-F678 HydrophobicContact CG1-CE2 3.4Å; V658-F678 HydrophobicContact CG1-CZ 3.98Å; Y675-F678 HydrophobicContact CE2-CB 4.36Å; F678-L680 HydrophobicContact CE1-CB 4.29Å; F678-N684 HydrophobicContact CE1-CB 4.04Å; F678-N684 HydrophobicContact CE2-CB 4.46Å; F678-N684 HydrophobicContact CZ-CB 3.65Å; F678-I686 HydrophobicContact CD2-CG2 4.39Å
679	V	87.8	Confident	93	Very high	21 Å²	21	46 Å²	46	13%	0.127	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	110.5	-176.2	-173.7	0	0	0	0	109.3	E677 T681 Y685 R687	E677-V679 HydrophobicContact CG-CG2 4.07Å; V679-T681 HydrophobicContact CG1-CG2 4.02Å; V679-Y685 PolarHBondContact N-O 3.15Å; V679-Y685 PolarHBondContact O-N 2.88Å; V679-R687 HydrophobicContact CG2-CB 3.87Å
680	L	85.1	Confident	93.2	Very high	72 Å²	72	40.4 Å²	40.4	38%	0.377	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	114	178.8	-162.4	159.5	0	0	0	109.8	L396 F678	L396-L680 HydrophobicContact CD2-CD2 4.07Å; F678-L680 HydrophobicContact CE1-CB 4.29Å
681	T	82.9	Confident	93.3	Very high	75 Å²	75	42.2 Å²	42.2	46%	0.46	21%	0.213	S	C	.	.	S	Bend	trans	-133.7	-151.7	173.1	68.7	0	0	0	0	109.3	V679 K683 Y685	V679-T681 HydrophobicContact CG1-CG2 4.02Å; T681-K683 CarbonylContact C-O 3.51Å; T681-K683 PolarHBondContact N-O 2.97Å; T681-K683 VanDerWaalsContact N-O 3.16Å; T681-K683 PolarHBondContact O-N 3.42Å; T681-K683 PolarHBondContact OG1-N 2.85Å; T681-K683 PolarHBondContact OG1-O 3.36Å; T681-Y685 WeakPolarHBondContact OG1-CE2 3.27Å
682	T	86	Confident	93.4	Very high	152 Å²	152	37.7 Å²	37.7	93%	0.933	19%	0.193	S	C	*	.	S	Bend	trans	-56.4	-29.2	166.1	-41.8	0	0	0	0	112.3
683	K	90.1	Very high	93.3	Very high	109 Å²	109	41.9 Å²	41.9	47%	0.474	21%	0.211	S	C	.	.	S	Bend	trans	-123.5	153.8	167.9	-63.3	-179.3	-176.9	173.7	0	109.2	T681 Y685	T681-K683 CarbonylContact C-O 3.51Å; T681-K683 PolarHBondContact N-O 2.97Å; T681-K683 VanDerWaalsContact N-O 3.16Å; T681-K683 PolarHBondContact O-N 3.42Å; T681-K683 PolarHBondContact OG1-N 2.85Å; T681-K683 PolarHBondContact OG1-O 3.36Å; K683-Y685 HydrophobicContact CB-CD2 4.5Å; K683-Y685 HydrophobicContact CB-CE2 3.83Å; K683-Y685 WeakPolarHBondContact O-CD2 3.42Å
684	N	92.8	Very high	93.2	Very high	45 Å²	45	42.9 Å²	42.9	24%	0.241	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.3	172.8	-61.1	-28.3	0	0	0	109.4	V657 V658 Q659 F678	V657-N684 WeakPolarHBondContact O-CB 3.45Å; V657-N684 PolarHBondContact O-ND2 3.35Å; V658-N684 WeakPolarHBondContact CA-O 3.35Å; V658-N684 HydrophobicContact CG1-CB 3.95Å; Q659-N684 PolarHBondContact N-O 2.66Å; F678-N684 HydrophobicContact CE1-CB 4.04Å; F678-N684 HydrophobicContact CE2-CB 4.46Å; F678-N684 HydrophobicContact CZ-CB 3.65Å
685	Y	94.2	Very high	93.1	Very high	43 Å²	43	45 Å²	45	17%	0.169	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.4	176	-61.4	-81.2	0	0	0	111	Q659 P662 V679 T681 K683	Q659-Y685 HydrophobicContact CB-CD1 3.92Å; Q659-Y685 HydrophobicContact CB-CE1 4.08Å; Q659-Y685 CarbonylContact O-C 3.54Å; Q659-Y685 WeakPolarHBondContact O-CA 3.47Å; P662-Y685 HydrophobicContact CG-CE1 4.32Å; V679-Y685 PolarHBondContact N-O 3.15Å; V679-Y685 PolarHBondContact O-N 2.88Å; T681-Y685 WeakPolarHBondContact OG1-CE2 3.27Å; K683-Y685 HydrophobicContact CB-CD2 4.5Å; K683-Y685 HydrophobicContact CB-CE2 3.83Å; K683-Y685 WeakPolarHBondContact O-CD2 3.42Å
686	I	95.4	Very high	93.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.7	165	51	170	0	0	0	109.1	A641 V658 Q659 L660 H661 V673 Y675 E677 F678 V689	A641-I686 HydrophobicContact CB-CD1 3.92Å; V658-I686 HydrophobicContact CB-CG2 4.08Å; V658-I686 HydrophobicContact CG1-CG2 4.2Å; V658-I686 HydrophobicContact CG2-CD1 4.06Å; V658-I686 HydrophobicContact CG2-CG1 4.1Å; V658-I686 HydrophobicContact CG2-CG2 3.86Å; Q659-I686 PolarHBondContact O-N 2.9Å; L660-I686 HydrophobicContact CD2-CD1 3.9Å; L660-I686 HydrophobicContact CD2-CG1 4.09Å; H661-I686 VanDerWaalsContact CB-O 3.27Å; H661-I686 WeakPolarHBondContact CB-O 3.31Å; H661-I686 PolarHBondContact N-O 3.31Å; V673-I686 HydrophobicContact CG2-CD1 3.73Å; Y675-I686 HydrophobicContact CD1-CB 4.13Å; Y675-I686 HydrophobicContact CD1-CD1 4.05Å; Y675-I686 HydrophobicContact CD1-CG2 3.77Å; Y675-I686 HydrophobicContact CD2-CB 4.1Å; Y675-I686 HydrophobicContact CD2-CG2 3.75Å; Y675-I686 HydrophobicContact CE1-CG2 4Å; Y675-I686 HydrophobicContact CE2-CG2 3.98Å; Y675-I686 HydrophobicContact CG-CB 3.74Å; Y675-I686 HydrophobicContact CG-CD1 4.35Å; Y675-I686 HydrophobicContact CG-CG2 3.65Å; E677-I686 WeakPolarHBondContact O-CA 3.48Å; F678-I686 HydrophobicContact CD2-CG2 4.39Å; I686-V689 HydrophobicContact CD1-CG2 4.36Å; I686-V689 HydrophobicContact CG1-CG2 4.18Å; I686-V689 WeakPolarHBondContact O-CG2 3.26Å
687	R	94	Very high	93.2	Very high	64 Å²	64	42.9 Å²	42.9	24%	0.242	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	146.7	-172.3	-175.7	164	69	-174.9	4.7	111.2	H661 N676 E677 V679	H661-R687 HydrophobicContact CB-CB 3.86Å; H661-R687 HydrophobicContact CB-CG 4.17Å; N676-R687 PolarHBondContact N-O 3.04Å; E677-R687 HydrophobicContact CB-CB 4.4Å; E677-R687 PolarHBondContact N-O 2.88Å; E677-R687 PolarHBondContact O-N 2.87Å; E677-R687 IonicContact OE1-CZ 3.75Å; E677-R687 IonicContact OE1-NH2 3.8Å; E677-R687 PolarHBondContact OE1-NH2 3.43Å; E677-R687 IonicContact OE2-CZ 3.03Å; E677-R687 IonicContact OE2-NE 3.92Å; E677-R687 PolarHBondContact OE2-NE 3.2Å; E677-R687 IonicContact OE2-NH2 3.34Å; E677-R687 PolarHBondContact OE2-NH2 2.86Å; V679-R687 HydrophobicContact CG2-CB 3.87Å
688	T	95.9	Very high	93.5	Very high	18 Å²	18	40.3 Å²	40.3	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.4	83.4	-172.3	-52.3	0	0	0	0	110.3	L533 D562 H563 M566 Y675 N676	L533-T688 HydrophobicContact CD2-CG2 4.19Å; D562-T688 HydrophobicContact CB-CG2 3.86Å; D562-T688 WeakPolarHBondContact OD2-CA 3.18Å; H563-T688 PolarHBondContact CE1-O 2.87Å; H563-T688 VanDerWaalsContact CE1-O 3.25Å; M566-T688 HydrophobicContact CE-CG2 3.47Å; M566-T688 VanDerWaalsContact CE-CG2 3.47Å; M566-T688 HydrophobicContact SD-CG2 4.29Å; Y675-T688 WeakPolarHBondContact CA-O 3.33Å; N676-T688 HydrophobicContact CB-CG2 4.19Å; N676-T688 PolarHBondContact N-O 2.84Å; N676-T688 VanDerWaalsContact N-O 3.1Å
689	V	97.7	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.8	-167.4	-174.7	0	0	0	0	110.6	G561 D562 L660 V673 L674 I686	G561-V689 CarbonylContact C-O 3.54Å; G561-V689 WeakPolarHBondContact CA-O 3.46Å; D562-V689 PolarHBondContact N-O 3Å; D562-V689 PolarHBondContact OD2-N 3.45Å; L660-V689 HydrophobicContact CD2-CB 4.49Å; L660-V689 HydrophobicContact CD2-CG1 3.97Å; L660-V689 HydrophobicContact CD2-CG2 4.17Å; V673-V689 HydrophobicContact CB-CG1 3.41Å; V673-V689 VanDerWaalsContact CB-CG1 3.41Å; V673-V689 HydrophobicContact CG1-CG1 3.8Å; V673-V689 HydrophobicContact CG2-CG1 3.87Å; L674-V689 CarbonylContact O-C 3.59Å; L674-V689 VanDerWaalsContact O-CA 3.32Å; L674-V689 WeakPolarHBondContact O-CA 3.49Å; I686-V689 HydrophobicContact CD1-CG2 4.36Å; I686-V689 HydrophobicContact CG1-CG2 4.18Å; I686-V689 WeakPolarHBondContact O-CG2 3.26Å
690	T	98.3	Very high	94	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.7	176	-73.4	0	0	0	0	110.6	D560 H563 R629 L632 V673 L674	D560-T690 CarbonylContact O-C 3.53Å; D560-T690 WeakPolarHBondContact O-CA 3.32Å; D560-T690 WeakPolarHBondContact O-CG2 3.46Å; H563-T690 PolarHBondContact N-OG1 3.27Å; H563-T690 WeakPolarHBondContact ND1-CB 3.33Å; H563-T690 PolarHBondContact ND1-OG1 2.86Å; R629-T690 HydrophobicContact CG-CG2 3.96Å; L632-T690 HydrophobicContact CD1-CG2 3.93Å; V673-T690 WeakPolarHBondContact CA-O 3.32Å; L674-T690 PolarHBondContact N-O 3Å; L674-T690 PolarHBondContact O-N 2.83Å
691	E	97.9	Very high	94.5	Very high	46 Å²	46	44.5 Å²	44.5	22%	0.215	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.9	175.6	-177.8	-169.6	125.9	0	0	110.3	D560 R629 H668 P670	D560-E691 PolarHBondContact O-N 3.28Å; R629-E691 IonicContact CZ-OE1 2.73Å; R629-E691 PolarHBondContact NE-O 2.99Å; R629-E691 VanDerWaalsContact NH2-C 3.31Å; R629-E691 VanDerWaalsContact NH2-CG 3.29Å; R629-E691 PolarHBondContact NH2-O 3.31Å; R629-E691 IonicContact NH2-OE1 3.76Å; R629-E691 PolarHBondContact NH2-OE1 3.09Å; H668-E691 IonicContact NE2-OE2 3.77Å; P670-E691 HydrophobicContact CB-CB 4.03Å; P670-E691 HydrophobicContact CB-CG 3.59Å; P670-E691 HydrophobicContact CG-CB 3.92Å; P670-E691 HydrophobicContact CG-CG 4.03Å
692	V	97.3	Very high	95.1	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	22%	0.221	C	C	.	.			trans	-131.7	154.7	173.6	-66.9	0	0	0	0	110.6	V633 W672 L674 W696 L697	V633-V692 HydrophobicContact CG2-CB 4.28Å; V633-V692 HydrophobicContact CG2-CG1 3.8Å; W672-V692 HydrophobicContact CB-CG2 4.16Å; W672-V692 WeakPolarHBondContact CB-O 3.39Å; W672-V692 PolarHBondContact O-N 3.13Å; W672-V692 VanDerWaalsContact O-N 3.12Å; L674-V692 HydrophobicContact CB-CG1 3.69Å; L674-V692 HydrophobicContact CB-CG2 4.25Å; L674-V692 HydrophobicContact CD1-CG1 4.15Å; V692-W696 HydrophobicContact CB-CE3 4.21Å; V692-W696 HydrophobicContact CB-CZ3 4.42Å; V692-L697 HydrophobicContact CG2-CD2 4.46Å
693	K	96.5	Very high	95.5	Very high	91 Å²	91	41.5 Å²	41.5	40%	0.396	20%	0.196	S	C	.	.			trans	-92.4	139.1	173.9	-57.8	-172.5	-179.8	-179.7	0	110.7	D695 W696	K693-D695 WeakPolarHBondContact CB-OD1 3.43Å; K693-D695 PolarHBondContact O-N 2.97Å; K693-W696 HydrophobicContact CB-CD2 3.84Å; K693-W696 HydrophobicContact CB-CE3 4.26Å; K693-W696 HydrophobicContact CB-CG 4.19Å; K693-W696 HydrophobicContact CB-CH2 4.47Å; K693-W696 HydrophobicContact CB-CZ2 4.07Å; K693-W696 HydrophobicContact CD-CH2 4.28Å; K693-W696 HydrophobicContact CD-CZ2 3.6Å; K693-W696 HydrophobicContact CG-CD2 4.33Å; K693-W696 HydrophobicContact CG-CH2 3.93Å; K693-W696 HydrophobicContact CG-CZ2 3.65Å; K693-W696 HydrophobicContact CG-CZ3 4.34Å; K693-W696 WeakPolarHBondContact O-CB 3.26Å; K693-W696 PolarHBondContact O-N 2.82Å
694	P	95.8	Very high	95.7	Very high	21 Å²	21	36.4 Å²	36.4	14%	0.136	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-24.3	-177.7	24.3	-34.2	0	0	0	113.6	W672 W696 L697 L719 I722	W672-P694 HydrophobicContact CD2-CB 4.05Å; W672-P694 HydrophobicContact CG-CB 4.24Å; W672-P694 HydrophobicContact CG-CG 4.42Å; W672-P694 HydrophobicContact CZ2-CB 4.17Å; P694-W696 PolarHBondContact O-N 2.73Å; P694-L697 WeakPolarHBondContact O-CB 3.44Å; P694-L697 PolarHBondContact O-N 3.19Å; P694-L719 HydrophobicContact CB-CD2 3.92Å; P694-I722 HydrophobicContact CB-CD1 3.55Å; P694-I722 HydrophobicContact CG-CD1 3.46Å; P694-I722 VanDerWaalsContact CG-CD1 3.46Å
695	D	95.4	Very high	95.8	Very high	44 Å²	44	34.5 Å²	34.5	24%	0.235	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-23.9	174.4	68.5	-68.5	0	0	0	113.2	K693 V698 R699 I722	K693-D695 WeakPolarHBondContact CB-OD1 3.43Å; K693-D695 PolarHBondContact O-N 2.97Å; D695-V698 WeakPolarHBondContact O-CG2 3.49Å; D695-R699 WeakPolarHBondContact O-CB 3.25Å; D695-R699 WeakPolarHBondContact O-CD 3.35Å; D695-R699 WeakPolarHBondContact O-CG 3.46Å; D695-R699 PolarHBondContact O-N 2.97Å; D695-I722 HydrophobicContact CB-CG2 4Å
696	W	96.8	Very high	95.7	Very high	12 Å²	12	35.5 Å²	35.5	5%	0.045	17%	0.171	C	C	.	.	H	α-helix	trans	-73.2	-38.5	176	-55.5	-12.7	0	0	0	110.9	I626 R629 K630 V692 K693 P694 V698 R699 I700	I626-W696 HydrophobicContact CG2-CH2 4.3Å; I626-W696 HydrophobicContact CG2-CZ2 3.84Å; R629-W696 HydrophobicContact CB-CH2 4.09Å; R629-W696 HydrophobicContact CB-CZ3 3.6Å; K630-W696 HydrophobicContact CG-CD2 3.75Å; K630-W696 HydrophobicContact CG-CE3 4.06Å; K630-W696 HydrophobicContact CG-CG 4.03Å; K630-W696 HydrophobicContact CG-CZ2 4.46Å; V692-W696 HydrophobicContact CB-CE3 4.21Å; V692-W696 HydrophobicContact CB-CZ3 4.42Å; K693-W696 HydrophobicContact CB-CD2 3.84Å; K693-W696 HydrophobicContact CB-CE3 4.26Å; K693-W696 HydrophobicContact CB-CG 4.19Å; K693-W696 HydrophobicContact CB-CH2 4.47Å; K693-W696 HydrophobicContact CB-CZ2 4.07Å; K693-W696 HydrophobicContact CD-CH2 4.28Å; K693-W696 HydrophobicContact CD-CZ2 3.6Å; K693-W696 HydrophobicContact CG-CD2 4.33Å; K693-W696 HydrophobicContact CG-CH2 3.93Å; K693-W696 HydrophobicContact CG-CZ2 3.65Å; K693-W696 HydrophobicContact CG-CZ3 4.34Å; K693-W696 WeakPolarHBondContact O-CB 3.26Å; K693-W696 PolarHBondContact O-N 2.82Å; P694-W696 PolarHBondContact O-N 2.73Å; W696-V698 PolarHBondContact O-N 3.4Å; W696-R699 PolarHBondContact O-N 3.14Å; W696-I700 HydrophobicContact CB-CD1 4.06Å; W696-I700 VanDerWaalsContact O-CB 3.27Å; W696-I700 WeakPolarHBondContact O-CB 3.28Å; W696-I700 VanDerWaalsContact O-CG1 3.24Å; W696-I700 WeakPolarHBondContact O-CG1 3.31Å; W696-I700 PolarHBondContact O-N 3.47Å
697	L	96.8	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-51.4	-179.8	-56.8	179	0	0	0	111.5	V633 V640 W672 V692 P694 R699 A701 Y705 L719	V633-L697 HydrophobicContact CG1-CD2 3.88Å; V633-L697 HydrophobicContact CG2-CD2 4.35Å; V640-L697 HydrophobicContact CG1-CD1 3.94Å; V640-L697 HydrophobicContact CG1-CD2 4.48Å; V640-L697 HydrophobicContact CG2-CD2 3.91Å; W672-L697 HydrophobicContact CD2-CD1 4.41Å; W672-L697 HydrophobicContact CE3-CD1 3.6Å; W672-L697 HydrophobicContact CZ3-CD1 3.76Å; V692-L697 HydrophobicContact CG2-CD2 4.46Å; P694-L697 WeakPolarHBondContact O-CB 3.44Å; P694-L697 PolarHBondContact O-N 3.19Å; L697-R699 VanDerWaalsContact C-N 3.32Å; L697-R699 PolarHBondContact O-N 3Å; L697-A701 CarbonylContact O-C 3.55Å; L697-A701 PolarHBondContact O-N 3.2Å; L697-Y705 HydrophobicContact CB-CD1 4.18Å; L697-Y705 HydrophobicContact CB-CD2 3.93Å; L697-Y705 HydrophobicContact CB-CE1 3.97Å; L697-Y705 HydrophobicContact CB-CE2 3.75Å; L697-Y705 HydrophobicContact CB-CG 4.16Å; L697-Y705 HydrophobicContact CD1-CE1 3.9Å; L697-Y705 HydrophobicContact CD2-CE2 4.19Å; L697-Y705 HydrophobicContact CG-CE1 4.43Å; L697-Y705 HydrophobicContact CG-CE2 4.39Å; L697-Y705 WeakPolarHBondContact O-CD2 3.46Å; L697-L719 HydrophobicContact CD1-CD2 4.48Å
698	V	95.7	Very high	95.4	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-71.3	-23.4	-179.1	-60.5	0	0	0	0	113.7	D695 W696 L719 I722 V723 I726	D695-V698 WeakPolarHBondContact O-CG2 3.49Å; W696-V698 PolarHBondContact O-N 3.4Å; V698-L719 HydrophobicContact CG1-CB 4.38Å; V698-L719 HydrophobicContact CG1-CD2 3.81Å; V698-I722 HydrophobicContact CG2-CG2 4.07Å; V698-V723 HydrophobicContact CB-CG2 4.14Å; V698-V723 HydrophobicContact CG1-CG2 3.86Å; V698-I726 HydrophobicContact CG2-CD1 3.72Å
699	R	94.6	Very high	95.1	Very high	148 Å²	148	41.2 Å²	41.2	56%	0.558	21%	0.213	S	C	*	.	H	α-helix	trans	-86.7	-39.9	179	-73.9	175.8	-176	-149.1	2	112.7	D695 W696 L697 I726	D695-R699 WeakPolarHBondContact O-CB 3.25Å; D695-R699 WeakPolarHBondContact O-CD 3.35Å; D695-R699 WeakPolarHBondContact O-CG 3.46Å; D695-R699 PolarHBondContact O-N 2.97Å; W696-R699 PolarHBondContact O-N 3.14Å; L697-R699 VanDerWaalsContact C-N 3.32Å; L697-R699 PolarHBondContact O-N 3Å; R699-I726 HydrophobicContact CG-CD1 4.25Å
700	I	95.6	Very high	94.8	Very high	41 Å²	41	41.3 Å²	41.3	21%	0.21	21%	0.214	C	C	.	.	H	α-helix	trans	-87.3	-37.8	-172.9	-61.6	175.3	0	0	0	110.8	Y520 K630 V633 W696 P702	Y520-I700 HydrophobicContact CE1-CD1 4.44Å; Y520-I700 WeakPolarHBondContact OH-CD1 3.22Å; Y520-I700 WeakPolarHBondContact OH-CG1 3.17Å; K630-I700 HydrophobicContact CB-CD1 4Å; K630-I700 HydrophobicContact CG-CD1 4.31Å; K630-I700 WeakPolarHBondContact O-CD1 3.17Å; V633-I700 HydrophobicContact CB-CD1 3.99Å; V633-I700 HydrophobicContact CG1-CB 4.07Å; V633-I700 HydrophobicContact CG1-CD1 4Å; V633-I700 HydrophobicContact CG1-CG2 4.14Å; W696-I700 HydrophobicContact CB-CD1 4.06Å; W696-I700 VanDerWaalsContact O-CB 3.27Å; W696-I700 WeakPolarHBondContact O-CB 3.28Å; W696-I700 VanDerWaalsContact O-CG1 3.24Å; W696-I700 WeakPolarHBondContact O-CG1 3.31Å; W696-I700 PolarHBondContact O-N 3.47Å; I700-P702 VanDerWaalsContact C-CD 3.4Å; I700-P702 WeakPolarHBondContact O-CD 3.39Å
701	A	95.8	Very high	94.5	Very high	7 Å²	7	43.1 Å²	43.1	6%	0.058	23%	0.225	C	C	.	.			trans	-127.6	58.1	-177.7	0	0	0	0	0	112.4	F637 L697 Q703 Y704 Y705	F637-A701 HydrophobicContact CB-CB 3.61Å; F637-A701 HydrophobicContact CD1-CB 3.91Å; F637-A701 HydrophobicContact CD2-CB 3.54Å; F637-A701 HydrophobicContact CE1-CB 4.47Å; F637-A701 HydrophobicContact CE2-CB 4.16Å; F637-A701 HydrophobicContact CG-CB 3.41Å; F637-A701 VanDerWaalsContact CG-CB 3.41Å; L697-A701 CarbonylContact O-C 3.55Å; L697-A701 PolarHBondContact O-N 3.2Å; A701-Q703 VanDerWaalsContact C-N 3.27Å; A701-Q703 PolarHBondContact O-N 3.26Å; A701-Y704 PolarHBondContact O-N 2.77Å; A701-Y705 HydrophobicContact CB-CD2 4.08Å; A701-Y705 HydrophobicContact CB-CE2 4.42Å; A701-Y705 WeakPolarHBondContact O-CD2 2.89Å; A701-Y705 PolarHBondContact O-N 2.82Å
702	P	94.5	Very high	94.2	Very high	79 Å²	79	47.2 Å²	47.2	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.8	-175.9	25.2	-34.7	0	0	0	113.5	I700 Y704 Y705 D706	I700-P702 VanDerWaalsContact C-CD 3.4Å; I700-P702 WeakPolarHBondContact O-CD 3.39Å; P702-Y704 PolarHBondContact O-N 3.49Å; P702-Y705 CarbonylContact O-C 3.59Å; P702-Y705 VanDerWaalsContact O-C 3.29Å; P702-Y705 PolarHBondContact O-N 2.84Å; P702-D706 PolarHBondContact O-N 2.89Å; P702-D706 VanDerWaalsContact O-N 3.14Å
703	Q	93.5	Very high	93.8	Very high	85 Å²	85	47.9 Å²	47.9	40%	0.397	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-39.3	179	-167.1	-168.4	5.8	0	0	112.1	N483 Y484 A701	N483-Q703 PolarHBondContact OD1-NE2 2.85Å; Y484-Q703 HydrophobicContact CD1-CB 4.42Å; Y484-Q703 HydrophobicContact CD1-CG 4.02Å; Y484-Q703 HydrophobicContact CE1-CG 4.04Å; A701-Q703 VanDerWaalsContact C-N 3.27Å; A701-Q703 PolarHBondContact O-N 3.26Å
704	Y	94.6	Very high	93.5	Very high	2 Å²	2	45 Å²	45	1%	0.008	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-41.4	176.9	-172.5	-99.5	0	0	0	111.4	Y484 F637 M638 V652 K653 A701 P702 D706	Y484-Y704 HydrophobicContact CD1-CD2 4.26Å; Y484-Y704 AromaticContact CD2-CD2 3.69Å; Y484-Y704 HydrophobicContact CD2-CD2 3.69Å; Y484-Y704 HydrophobicContact CD2-CE2 4.23Å; Y484-Y704 HydrophobicContact CE1-CD2 4.17Å; Y484-Y704 AromaticContact CE2-CD2 3.55Å; Y484-Y704 HydrophobicContact CE2-CD2 3.55Å; Y484-Y704 AromaticContact CE2-CE2 3.94Å; Y484-Y704 HydrophobicContact CE2-CE2 3.94Å; Y484-Y704 HydrophobicContact CG-CD2 4.05Å; Y484-Y704 AromaticContact CZ-CD2 3.83Å; F637-Y704 HydrophobicContact CD2-CD1 4.02Å; F637-Y704 AromaticContact CD2-CG 3.85Å; F637-Y704 HydrophobicContact CD2-CG 3.85Å; F637-Y704 HydrophobicContact CE2-CD2 4.28Å; F637-Y704 AromaticContact CE2-CG 3.92Å; F637-Y704 HydrophobicContact CE2-CG 3.92Å; M638-Y704 HydrophobicContact CB-CE1 4.4Å; M638-Y704 HydrophobicContact CB-CE2 4.34Å; M638-Y704 HydrophobicContact CE-CD2 4.37Å; M638-Y704 HydrophobicContact CE-CE2 3.76Å; M638-Y704 HydrophobicContact CG-CD1 4.42Å; M638-Y704 HydrophobicContact CG-CD2 3.89Å; M638-Y704 HydrophobicContact CG-CE1 4.24Å; M638-Y704 HydrophobicContact CG-CE2 3.7Å; M638-Y704 HydrophobicContact CG-CG 4.24Å; M638-Y704 HydrophobicContact SD-CD2 4.5Å; M638-Y704 HydrophobicContact SD-CE2 4.34Å; V652-Y704 HydrophobicContact CG1-CE1 3.87Å; K653-Y704 HydrophobicContact CD-CE1 4.18Å; K653-Y704 HydrophobicContact CD-CE2 3.87Å; K653-Y704 WeakPolarHBondContact CE-O 3.45Å; K653-Y704 HydrophobicContact CG-CE1 4.22Å; K653-Y704 PolarHBondContact NZ-O 3.04Å; A701-Y704 PolarHBondContact O-N 2.77Å; P702-Y704 PolarHBondContact O-N 3.49Å; Y704-D706 PolarHBondContact O-N 3.28Å
705	Y	95.4	Very high	93.4	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.02	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	40	176.4	-69.7	-85.6	0	0	0	112.5	F637 V640 V652 L697 A701 P702 M707 F710 L719	F637-Y705 HydrophobicContact CB-CE2 4.09Å; F637-Y705 WeakPolarHBondContact O-CE2 3.45Å; F637-Y705 PolarHBondContact O-OH 3.49Å; V640-Y705 WeakPolarHBondContact CB-OH 3.37Å; V640-Y705 WeakPolarHBondContact CG2-OH 3.21Å; V652-Y705 HydrophobicContact CG1-CE1 3.83Å; V652-Y705 HydrophobicContact CG2-CE1 4.36Å; L697-Y705 HydrophobicContact CB-CD1 4.18Å; L697-Y705 HydrophobicContact CB-CD2 3.93Å; L697-Y705 HydrophobicContact CB-CE1 3.97Å; L697-Y705 HydrophobicContact CB-CE2 3.75Å; L697-Y705 HydrophobicContact CB-CG 4.16Å; L697-Y705 HydrophobicContact CD1-CE1 3.9Å; L697-Y705 HydrophobicContact CD2-CE2 4.19Å; L697-Y705 HydrophobicContact CG-CE1 4.43Å; L697-Y705 HydrophobicContact CG-CE2 4.39Å; L697-Y705 WeakPolarHBondContact O-CD2 3.46Å; A701-Y705 HydrophobicContact CB-CD2 4.08Å; A701-Y705 HydrophobicContact CB-CE2 4.42Å; A701-Y705 WeakPolarHBondContact O-CD2 2.89Å; A701-Y705 PolarHBondContact O-N 2.82Å; P702-Y705 CarbonylContact O-C 3.59Å; P702-Y705 VanDerWaalsContact O-C 3.29Å; P702-Y705 PolarHBondContact O-N 2.84Å; Y705-M707 WeakPolarHBondContact O-CE 3.34Å; Y705-M707 PolarHBondContact O-N 3.41Å; Y705-F710 HydrophobicContact CD1-CD2 4.43Å; Y705-F710 AromaticContact CD1-CE2 3.66Å; Y705-F710 HydrophobicContact CD1-CE2 3.66Å; Y705-F710 HydrophobicContact CD1-CZ 4.46Å; Y705-F710 AromaticContact CE1-CE2 3.97Å; Y705-F710 HydrophobicContact CE1-CE2 3.97Å; Y705-F710 HydrophobicContact CE1-CZ 4.48Å; Y705-L719 HydrophobicContact CD1-CD1 3.72Å; Y705-L719 HydrophobicContact CE1-CD1 4.1Å
706	D	92.7	Very high	93.3	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	24%	0.236	S	C	.	.			trans	-76.8	117.1	171	178	9.8	0	0	0	109.7	P702 Y704 S708 N709 F710	P702-D706 PolarHBondContact O-N 2.89Å; P702-D706 VanDerWaalsContact O-N 3.14Å; Y704-D706 PolarHBondContact O-N 3.28Å; D706-S708 PolarHBondContact O-N 3.29Å; D706-S708 WeakPolarHBondContact OD1-CB 3.49Å; D706-S708 PolarHBondContact OD1-N 3.38Å; D706-S708 PolarHBondContact OD1-OG 3.25Å; D706-S708 PolarHBondContact OD2-OG 3.29Å; D706-N709 PolarHBondContact O-N 3.21Å; D706-N709 PolarHBondContact O-OD1 3.45Å; D706-F710 WeakPolarHBondContact O-CB 3.3Å; D706-F710 PolarHBondContact O-N 3.05Å
707	M	91	Very high	93.1	Very high	25 Å²	25	51 Å²	51	12%	0.123	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.2	-177.5	-60.4	-63.2	99.8	0	0	112.7	Y705 N709 F710 R716 L719 E720 V723	Y705-M707 WeakPolarHBondContact O-CE 3.34Å; Y705-M707 PolarHBondContact O-N 3.41Å; M707-N709 VanDerWaalsContact C-N 3.29Å; M707-N709 PolarHBondContact O-N 3.36Å; M707-F710 HydrophobicContact CE-CB 4.24Å; M707-F710 HydrophobicContact CE-CD2 3.9Å; M707-F710 HydrophobicContact CE-CE2 4.48Å; M707-F710 HydrophobicContact CE-CG 4.13Å; M707-R716 HydrophobicContact SD-CG 4.22Å; M707-L719 HydrophobicContact CE-CB 3.85Å; M707-L719 HydrophobicContact CE-CD1 4Å; M707-L719 HydrophobicContact SD-CB 3.73Å; M707-E720 HydrophobicContact CB-CG 4.13Å; M707-E720 HydrophobicContact CG-CG 3.82Å; M707-E720 HydrophobicContact SD-CG 3.66Å; M707-V723 HydrophobicContact CG-CG2 4.41Å
708	S	90.9	Very high	92.9	Very high	98 Å²	98	52.8 Å²	52.8	69%	0.685	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-31.3	177.8	82.6	0	0	0	0	112.9	D706	D706-S708 PolarHBondContact O-N 3.29Å; D706-S708 WeakPolarHBondContact OD1-CB 3.49Å; D706-S708 PolarHBondContact OD1-N 3.38Å; D706-S708 PolarHBondContact OD1-OG 3.25Å; D706-S708 PolarHBondContact OD2-OG 3.29Å
709	N	90.7	Very high	92.9	Very high	78 Å²	78	52.1 Å²	52.1	42%	0.417	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	4.4	-177.1	68.6	44.3	0	0	0	113.4	K653 D706 M707	K653-N709 PolarHBondContact NZ-OD1 3.27Å; D706-N709 PolarHBondContact O-N 3.21Å; D706-N709 PolarHBondContact O-OD1 3.45Å; M707-N709 VanDerWaalsContact C-N 3.29Å; M707-N709 PolarHBondContact O-N 3.36Å
710	F	91.1	Very high	92.8	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.013	25%	0.254	C	S	.	.	S	Bend	trans	-81.2	131.1	-178.9	-153	-79.6	0	0	0	110.5	V652 K653 Y705 D706 M707 R716 L719	V652-F710 HydrophobicContact CB-CZ 4.44Å; V652-F710 HydrophobicContact CG1-CE2 3.57Å; V652-F710 HydrophobicContact CG1-CZ 3.51Å; V652-F710 HydrophobicContact CG2-CZ 4.44Å; K653-F710 HydrophobicContact CG-CD2 4.37Å; K653-F710 HydrophobicContact CG-CE2 4.29Å; Y705-F710 HydrophobicContact CD1-CD2 4.43Å; Y705-F710 AromaticContact CD1-CE2 3.66Å; Y705-F710 HydrophobicContact CD1-CE2 3.66Å; Y705-F710 HydrophobicContact CD1-CZ 4.46Å; Y705-F710 AromaticContact CE1-CE2 3.97Å; Y705-F710 HydrophobicContact CE1-CE2 3.97Å; Y705-F710 HydrophobicContact CE1-CZ 4.48Å; D706-F710 WeakPolarHBondContact O-CB 3.3Å; D706-F710 PolarHBondContact O-N 3.05Å; M707-F710 HydrophobicContact CE-CB 4.24Å; M707-F710 HydrophobicContact CE-CD2 3.9Å; M707-F710 HydrophobicContact CE-CE2 4.48Å; M707-F710 HydrophobicContact CE-CG 4.13Å; F710-R716 HydrophobicContact CB-CG 4.37Å; F710-R716 HydrophobicContact CD1-CB 3.68Å; F710-R716 HydrophobicContact CD1-CG 4.01Å; F710-R716 HydrophobicContact CE1-CB 4.07Å; F710-R716 WeakPolarHBondContact O-CD 3.44Å; F710-R716 PolarHBondContact O-NH1 2.87Å; F710-L719 HydrophobicContact CE1-CD1 4.43Å; F710-L719 HydrophobicContact CE2-CD1 4Å; F710-L719 HydrophobicContact CZ-CD1 3.82Å
711	P	91.9	Very high	92.7	Very high	37 Å²	37	55 Å²	55	24%	0.24	28%	0.276	C	S	.	.			trans	-65.5	147.8	-178.6	26.3	-34.4	0	0	0	112.3	C713	P711-C713 PolarHBondContact O-N 3.03Å; P711-C713 VanDerWaalsContact O-N 3.15Å; P711-C713 PolarHBondContact O-SG 3.37Å
712	D	90.7	Very high	92.6	Very high	132 Å²	132	55.7 Å²	55.7	71%	0.706	28%	0.279	S	S	*	.	S	Bend	trans	-65.4	113.7	178.2	-70.1	-35.2	0	0	0	111.5	R716	D712-R716 IonicContact OD1-CZ 3.21Å; D712-R716 IonicContact OD1-NE 3.67Å; D712-R716 IonicContact OD1-NH1 2.74Å; D712-R716 PolarHBondContact OD1-NH1 3.31Å; D712-R716 IonicContact OD1-NH2 3.91Å
713	C	89.9	Confident	92.4	Very high	19 Å²	19	53.6 Å²	53.6	13%	0.128	27%	0.265	C	S	.	.	S	Bend	trans	-159.2	172.2	177.8	57	0	0	0	0	110.4	L650 P711 A715 R716 R717	L650-C713 HydrophobicContact CD2-CB 4.48Å; P711-C713 PolarHBondContact O-N 3.03Å; P711-C713 VanDerWaalsContact O-N 3.15Å; P711-C713 PolarHBondContact O-SG 3.37Å; C713-A715 VanDerWaalsContact C-N 3.26Å; C713-A715 PolarHBondContact O-N 3.1Å; C713-R716 WeakPolarHBondContact O-CB 3.44Å; C713-R716 PolarHBondContact O-N 3.14Å; C713-R717 PolarHBondContact O-N 2.83Å
714	D	90.8	Very high	92.3	Very high	30 Å²	30	54.9 Å²	54.9	16%	0.16	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-36.5	178.1	-89.8	4.5	0	0	0	111.8	R645 R716 R717 I718	R645-D714 IonicContact CZ-OD2 3.49Å; R645-D714 IonicContact NE-OD2 3.32Å; R645-D714 PolarHBondContact NE-OD2 2.7Å; R645-D714 IonicContact NH2-OD2 2.76Å; D714-R716 PolarHBondContact O-N 2.83Å; D714-R717 PolarHBondContact O-N 3.14Å; D714-R717 IonicContact OD1-CZ 3.68Å; D714-R717 IonicContact OD1-NH1 2.69Å; D714-R717 PolarHBondContact OD1-NH1 3.36Å; D714-I718 PolarHBondContact O-N 3.16Å
715	A	92.8	Very high	92.2	Very high	4 Å²	4	61.9 Å²	61.9	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-55.4	-46.7	173.6	0	0	0	0	0	112.5	H642 W672 C713 R717 I718 L719	H642-A715 HydrophobicContact CB-CB 3.77Å; W672-A715 HydrophobicContact CH2-CB 3.56Å; W672-A715 HydrophobicContact CZ2-CB 4.15Å; W672-A715 HydrophobicContact CZ3-CB 4.25Å; C713-A715 VanDerWaalsContact C-N 3.26Å; C713-A715 PolarHBondContact O-N 3.1Å; A715-R717 PolarHBondContact O-N 2.87Å; A715-I718 PolarHBondContact O-N 3.47Å; A715-L719 VanDerWaalsContact O-CG 3.3Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 3.18Å
716	R	93.4	Very high	91.9	Very high	55 Å²	55	63.2 Å²	63.2	21%	0.208	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-47.6	177.5	-176.6	179.6	165.1	178.5	-15.9	111.8	M707 F710 D712 C713 D714 I718 L719 E720	M707-R716 HydrophobicContact SD-CG 4.22Å; F710-R716 HydrophobicContact CB-CG 4.37Å; F710-R716 HydrophobicContact CD1-CB 3.68Å; F710-R716 HydrophobicContact CD1-CG 4.01Å; F710-R716 HydrophobicContact CE1-CB 4.07Å; F710-R716 WeakPolarHBondContact O-CD 3.44Å; F710-R716 PolarHBondContact O-NH1 2.87Å; D712-R716 IonicContact OD1-CZ 3.21Å; D712-R716 IonicContact OD1-NE 3.67Å; D712-R716 IonicContact OD1-NH1 2.74Å; D712-R716 PolarHBondContact OD1-NH1 3.31Å; D712-R716 IonicContact OD1-NH2 3.91Å; C713-R716 WeakPolarHBondContact O-CB 3.44Å; C713-R716 PolarHBondContact O-N 3.14Å; D714-R716 PolarHBondContact O-N 2.83Å; R716-I718 PolarHBondContact O-N 3.43Å; R716-L719 PolarHBondContact O-N 3.23Å; R716-L719 VanDerWaalsContact O-N 3.14Å; R716-E720 HydrophobicContact CG-CG 4.2Å; R716-E720 IonicContact CZ-OE1 3.33Å; R716-E720 IonicContact NE-OE1 3.64Å; R716-E720 PolarHBondContact NE-OE1 3.35Å; R716-E720 IonicContact NH2-OE1 3.02Å; R716-E720 PolarHBondContact NH2-OE1 3.02Å; R716-E720 WeakPolarHBondContact O-CG 3.37Å; R716-E720 PolarHBondContact O-N 3.43Å
717	R	92.7	Very high	91.7	Very high	144 Å²	144	65.2 Å²	65.2	54%	0.543	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-36.4	-178.5	-64.8	172.2	-179.4	158.9	-3.9	112.1	C713 D714 A715 R721	C713-R717 PolarHBondContact O-N 2.83Å; D714-R717 PolarHBondContact O-N 3.14Å; D714-R717 IonicContact OD1-CZ 3.68Å; D714-R717 IonicContact OD1-NH1 2.69Å; D714-R717 PolarHBondContact OD1-NH1 3.36Å; A715-R717 PolarHBondContact O-N 2.87Å; R717-R721 VanDerWaalsContact O-CG 3.29Å; R717-R721 WeakPolarHBondContact O-CG 3.4Å; R717-R721 PolarHBondContact O-N 3.06Å
718	I	93.1	Very high	91.6	Very high	38 Å²	38	67.3 Å²	67.3	20%	0.195	32%	0.323	C	S	.	.	H	α-helix	trans	-69.8	-46.5	176.5	-67.6	157.2	0	0	0	110.2	H642 E671 W672 D714 A715 R716 R721 I722	H642-I718 WeakPolarHBondContact NE2-CD1 3.32Å; E671-I718 WeakPolarHBondContact OE1-CD1 3.4Å; W672-I718 HydrophobicContact CZ2-CB 4.2Å; W672-I718 HydrophobicContact CZ2-CD1 4.48Å; W672-I718 HydrophobicContact CZ2-CG2 4.06Å; D714-I718 PolarHBondContact O-N 3.16Å; A715-I718 PolarHBondContact O-N 3.47Å; R716-I718 PolarHBondContact O-N 3.43Å; I718-R721 PolarHBondContact O-N 3.21Å; I718-I722 HydrophobicContact CG2-CD1 3.93Å; I718-I722 WeakPolarHBondContact O-CG1 3.38Å; I718-I722 PolarHBondContact O-N 2.98Å; I718-I722 VanDerWaalsContact O-N 3.14Å
719	L	94.4	Very high	91.4	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-44.2	179	-65.7	169.7	0	0	0	112.1	W672 P694 L697 V698 Y705 M707 F710 A715 R716 R721 I722 V723	W672-L719 HydrophobicContact CH2-CD1 3.74Å; W672-L719 HydrophobicContact CH2-CD2 3.91Å; W672-L719 HydrophobicContact CH2-CG 3.67Å; W672-L719 HydrophobicContact CZ2-CD2 4.29Å; W672-L719 HydrophobicContact CZ2-CG 4.15Å; W672-L719 HydrophobicContact CZ3-CD1 4.31Å; W672-L719 HydrophobicContact CZ3-CD2 4.45Å; P694-L719 HydrophobicContact CB-CD2 3.92Å; L697-L719 HydrophobicContact CD1-CD2 4.48Å; V698-L719 HydrophobicContact CG1-CB 4.38Å; V698-L719 HydrophobicContact CG1-CD2 3.81Å; Y705-L719 HydrophobicContact CD1-CD1 3.72Å; Y705-L719 HydrophobicContact CE1-CD1 4.1Å; M707-L719 HydrophobicContact CE-CB 3.85Å; M707-L719 HydrophobicContact CE-CD1 4Å; M707-L719 HydrophobicContact SD-CB 3.73Å; F710-L719 HydrophobicContact CE1-CD1 4.43Å; F710-L719 HydrophobicContact CE2-CD1 4Å; F710-L719 HydrophobicContact CZ-CD1 3.82Å; A715-L719 VanDerWaalsContact O-CG 3.3Å; A715-L719 WeakPolarHBondContact O-CG 3.48Å; A715-L719 PolarHBondContact O-N 3.18Å; R716-L719 PolarHBondContact O-N 3.23Å; R716-L719 VanDerWaalsContact O-N 3.14Å; L719-R721 VanDerWaalsContact C-N 3.33Å; L719-R721 PolarHBondContact O-N 3.16Å; L719-I722 CarbonylContact O-C 3.57Å; L719-I722 WeakPolarHBondContact O-CA 3.05Å; L719-I722 WeakPolarHBondContact O-CB 3.49Å; L719-I722 PolarHBondContact O-N 3.16Å; L719-V723 WeakPolarHBondContact O-CG2 3.38Å; L719-V723 PolarHBondContact O-N 3.28Å
720	E	93.4	Very high	91.1	Very high	72 Å²	72	72 Å²	72	34%	0.336	32%	0.323	S	S	.	.	H	α-helix	trans	-56.3	-45.3	175.8	-77.5	-180	170.2	0	0	111.9	M707 R716 I722 V723 H724	M707-E720 HydrophobicContact CB-CG 4.13Å; M707-E720 HydrophobicContact CG-CG 3.82Å; M707-E720 HydrophobicContact SD-CG 3.66Å; R716-E720 HydrophobicContact CG-CG 4.2Å; R716-E720 IonicContact CZ-OE1 3.33Å; R716-E720 IonicContact NE-OE1 3.64Å; R716-E720 PolarHBondContact NE-OE1 3.35Å; R716-E720 IonicContact NH2-OE1 3.02Å; R716-E720 PolarHBondContact NH2-OE1 3.02Å; R716-E720 WeakPolarHBondContact O-CG 3.37Å; R716-E720 PolarHBondContact O-N 3.43Å; E720-I722 VanDerWaalsContact C-N 3.27Å; E720-I722 PolarHBondContact O-N 3.04Å; E720-V723 PolarHBondContact O-N 2.96Å; E720-H724 WeakPolarHBondContact O-CB 3.41Å; E720-H724 PolarHBondContact O-N 3.49Å
721	R	93.7	Very high	90.8	Very high	177 Å²	177	76 Å²	76	67%	0.668	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-37.3	175.7	-71.8	172.3	-173.9	176.7	2.5	112.1	R717 I718 L719 R725	R717-R721 VanDerWaalsContact O-CG 3.29Å; R717-R721 WeakPolarHBondContact O-CG 3.4Å; R717-R721 PolarHBondContact O-N 3.06Å; I718-R721 PolarHBondContact O-N 3.21Å; L719-R721 VanDerWaalsContact C-N 3.33Å; L719-R721 PolarHBondContact O-N 3.16Å; R721-R725 WeakPolarHBondContact O-CB 3.46Å; R721-R725 PolarHBondContact O-N 3.42Å
722	I	92.7	Very high	90.3	Very high	22 Å²	22	79.9 Å²	79.9	11%	0.113	36%	0.359	C	S	.	.	H	α-helix	trans	-70.7	-45.1	178.1	-67.5	165.5	0	0	0	110.5	P694 D695 V698 I718 L719 E720 H724 R725 I726	P694-I722 HydrophobicContact CB-CD1 3.55Å; P694-I722 HydrophobicContact CG-CD1 3.46Å; P694-I722 VanDerWaalsContact CG-CD1 3.46Å; D695-I722 HydrophobicContact CB-CG2 4Å; V698-I722 HydrophobicContact CG2-CG2 4.07Å; I718-I722 HydrophobicContact CG2-CD1 3.93Å; I718-I722 WeakPolarHBondContact O-CG1 3.38Å; I718-I722 PolarHBondContact O-N 2.98Å; I718-I722 VanDerWaalsContact O-N 3.14Å; L719-I722 CarbonylContact O-C 3.57Å; L719-I722 WeakPolarHBondContact O-CA 3.05Å; L719-I722 WeakPolarHBondContact O-CB 3.49Å; L719-I722 PolarHBondContact O-N 3.16Å; E720-I722 VanDerWaalsContact C-N 3.27Å; E720-I722 PolarHBondContact O-N 3.04Å; I722-H724 PolarHBondContact O-N 3.31Å; I722-R725 WeakPolarHBondContact O-CB 3.39Å; I722-R725 PolarHBondContact O-N 3.25Å; I722-R725 VanDerWaalsContact O-N 3.16Å; I722-I726 HydrophobicContact CG2-CD1 3.78Å; I722-I726 HydrophobicContact CG2-CG1 4.37Å; I722-I726 VanDerWaalsContact O-CG1 3.31Å; I722-I726 WeakPolarHBondContact O-CG1 3.45Å; I722-I726 PolarHBondContact O-N 3.35Å
723	V	91.5	Very high	89.8	Confident	36 Å²	36	79.6 Å²	79.6	22%	0.218	35%	0.353	C	S	.	.	H	α-helix	trans	-57.7	-48.8	176.2	172.2	0	0	0	0	110.3	V698 M707 L719 E720 R725 I726 Q727	V698-V723 HydrophobicContact CB-CG2 4.14Å; V698-V723 HydrophobicContact CG1-CG2 3.86Å; M707-V723 HydrophobicContact CG-CG2 4.41Å; L719-V723 WeakPolarHBondContact O-CG2 3.38Å; L719-V723 PolarHBondContact O-N 3.28Å; E720-V723 PolarHBondContact O-N 2.96Å; V723-R725 VanDerWaalsContact C-N 3.31Å; V723-R725 PolarHBondContact O-N 3.22Å; V723-I726 PolarHBondContact O-N 3.15Å; V723-I726 VanDerWaalsContact O-N 3.1Å; V723-Q727 HydrophobicContact CG1-CG 4.38Å; V723-Q727 WeakPolarHBondContact O-CG 3.47Å; V723-Q727 PolarHBondContact O-N 2.66Å
724	H	91.8	Very high	89.2	Confident	112 Å²	112	83.6 Å²	83.6	52%	0.519	37%	0.37	S	S	.	.	H	α-helix	trans	-59.9	-40.1	176.6	-170.9	-71.7	0	0	0	112	E720 I722 N728	E720-H724 WeakPolarHBondContact O-CB 3.41Å; E720-H724 PolarHBondContact O-N 3.49Å; I722-H724 PolarHBondContact O-N 3.31Å; H724-N728 PolarHBondContact CE1-ND2 3.11Å; H724-N728 PolarHBondContact ND1-ND2 3.21Å; H724-N728 VanDerWaalsContact ND1-ND2 3.19Å; H724-N728 WeakPolarHBondContact O-CB 3.37Å; H724-N728 VanDerWaalsContact O-CG 3.28Å; H724-N728 PolarHBondContact O-N 2.92Å
725	R	91.9	Very high	88.6	Confident	149 Å²	149	87.8 Å²	87.8	56%	0.562	39%	0.389	S	S	*	.	H	α-helix	trans	-65.5	-38.4	175.4	-171.9	-174.6	-65.9	163	-1.6	112.1	R721 I722 V723 R729	R721-R725 WeakPolarHBondContact O-CB 3.46Å; R721-R725 PolarHBondContact O-N 3.42Å; I722-R725 WeakPolarHBondContact O-CB 3.39Å; I722-R725 PolarHBondContact O-N 3.25Å; I722-R725 VanDerWaalsContact O-N 3.16Å; V723-R725 VanDerWaalsContact C-N 3.31Å; V723-R725 PolarHBondContact O-N 3.22Å; R725-R729 WeakPolarHBondContact O-CG 3.49Å; R725-R729 PolarHBondContact O-N 3.05Å
726	I	87.9	Confident	87.9	Confident	32 Å²	32	94.5 Å²	94.5	16%	0.164	42%	0.417	C	S	.	.	H	α-helix	trans	-68	-46	177.3	-69.1	168.1	0	0	0	110.3	V698 R699 I722 V723 R729 K730	V698-I726 HydrophobicContact CG2-CD1 3.72Å; R699-I726 HydrophobicContact CG-CD1 4.25Å; I722-I726 HydrophobicContact CG2-CD1 3.78Å; I722-I726 HydrophobicContact CG2-CG1 4.37Å; I722-I726 VanDerWaalsContact O-CG1 3.31Å; I722-I726 WeakPolarHBondContact O-CG1 3.45Å; I722-I726 PolarHBondContact O-N 3.35Å; V723-I726 PolarHBondContact O-N 3.15Å; V723-I726 VanDerWaalsContact O-N 3.1Å; I726-R729 PolarHBondContact O-N 2.91Å; I726-K730 PolarHBondContact O-N 2.98Å
727	Q	88.5	Confident	86.7	Confident	106 Å²	106	98.3 Å²	98.3	50%	0.495	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-46.8	177.5	-72.9	172.1	-18.5	0	0	111.6	V723 R729 K730 L731	V723-Q727 HydrophobicContact CG1-CG 4.38Å; V723-Q727 WeakPolarHBondContact O-CG 3.47Å; V723-Q727 PolarHBondContact O-N 2.66Å; Q727-R729 VanDerWaalsContact C-N 3.29Å; Q727-R729 PolarHBondContact O-N 3.48Å; Q727-K730 PolarHBondContact O-N 3.39Å; Q727-K730 VanDerWaalsContact O-N 3.16Å; Q727-L731 WeakPolarHBondContact O-CG 3.14Å; Q727-L731 PolarHBondContact O-N 3.28Å
728	N	90.3	Very high	85.4	Confident	70 Å²	70	97.3 Å²	97.3	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-59.7	-37.6	176	-76.8	-2	0	0	0	113	H724 Q732	H724-N728 PolarHBondContact CE1-ND2 3.11Å; H724-N728 PolarHBondContact ND1-ND2 3.21Å; H724-N728 VanDerWaalsContact ND1-ND2 3.19Å; H724-N728 WeakPolarHBondContact O-CB 3.37Å; H724-N728 VanDerWaalsContact O-CG 3.28Å; H724-N728 PolarHBondContact O-N 2.92Å; N728-Q732 WeakPolarHBondContact O-CB 3.29Å; N728-Q732 VanDerWaalsContact O-CG 3.28Å; N728-Q732 WeakPolarHBondContact O-CG 3.36Å; N728-Q732 PolarHBondContact O-N 2.77Å
729	R	87	Confident	83.8	Confident	148 Å²	148	101.8 Å²	101.8	56%	0.558	46%	0.463	S	S	*	.	H	α-helix	trans	-68.3	-39.4	176.2	-77.9	179.4	177.5	-175	-0.3	112.4	R725 I726 Q727 Q732 Q733	R725-R729 WeakPolarHBondContact O-CG 3.49Å; R725-R729 PolarHBondContact O-N 3.05Å; I726-R729 PolarHBondContact O-N 2.91Å; Q727-R729 VanDerWaalsContact C-N 3.29Å; Q727-R729 PolarHBondContact O-N 3.48Å; R729-Q732 PolarHBondContact O-N 3.32Å; R729-Q733 WeakPolarHBondContact O-CG 3.4Å; R729-Q733 PolarHBondContact O-N 3.23Å
730	K	84	Confident	81.9	Confident	125 Å²	125	108.2 Å²	108.2	54%	0.543	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-48.1	174.6	-73.4	-173.8	175.4	-172	0	111.1	I726 Q727 Q732 Q733 E734	I726-K730 PolarHBondContact O-N 2.98Å; Q727-K730 PolarHBondContact O-N 3.39Å; Q727-K730 VanDerWaalsContact O-N 3.16Å; K730-Q732 VanDerWaalsContact C-N 3.32Å; K730-Q732 PolarHBondContact O-N 3.36Å; K730-Q733 PolarHBondContact O-N 3.15Å; K730-E734 WeakPolarHBondContact O-CG 3.42Å; K730-E734 PolarHBondContact O-N 3.35Å
731	L	83.7	Confident	80	Confident	88 Å²	88	108.9 Å²	108.9	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-57.9	-41.9	176.2	-72.2	166.3	0	0	0	112.3	Q727 Q735	Q727-L731 WeakPolarHBondContact O-CG 3.14Å; Q727-L731 PolarHBondContact O-N 3.28Å; L731-Q735 WeakPolarHBondContact O-CB 3.28Å; L731-Q735 VanDerWaalsContact O-CG 3.25Å; L731-Q735 WeakPolarHBondContact O-CG 3.33Å; L731-Q735 PolarHBondContact O-N 2.69Å
732	Q	82.7	Confident	78	Confident	118 Å²	118	108 Å²	108	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-66.8	-34.7	175.8	-74.5	175.5	5.2	0	0	113.1	N728 R729 K730 K736	N728-Q732 WeakPolarHBondContact O-CB 3.29Å; N728-Q732 VanDerWaalsContact O-CG 3.28Å; N728-Q732 WeakPolarHBondContact O-CG 3.36Å; N728-Q732 PolarHBondContact O-N 2.77Å; R729-Q732 PolarHBondContact O-N 3.32Å; K730-Q732 VanDerWaalsContact C-N 3.32Å; K730-Q732 PolarHBondContact O-N 3.36Å; Q732-K736 WeakPolarHBondContact O-CG 3.25Å; Q732-K736 PolarHBondContact O-N 3.12Å; Q732-K736 VanDerWaalsContact O-N 3.11Å
733	Q	79.5	Confident	76.1	Confident	126 Å²	126	113.4 Å²	113.4	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-71.1	-42.4	176.4	-76.4	176.5	-17.5	0	0	111.7	R729 K730 Q735 K736 Q737	R729-Q733 WeakPolarHBondContact O-CG 3.4Å; R729-Q733 PolarHBondContact O-N 3.23Å; K730-Q733 PolarHBondContact O-N 3.15Å; Q733-Q735 VanDerWaalsContact C-N 3.33Å; Q733-Q735 PolarHBondContact O-N 3.05Å; Q733-K736 PolarHBondContact O-N 3.19Å; Q733-Q737 PolarHBondContact O-N 3.03Å
734	E	78.1	Confident	74.2	Confident	104 Å²	104	119.5 Å²	119.5	49%	0.486	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-39.5	174.3	-71.3	168.7	-172.5	0	0	111.5	K730 Q737 N738	K730-E734 WeakPolarHBondContact O-CG 3.42Å; K730-E734 PolarHBondContact O-N 3.35Å; E734-Q737 PolarHBondContact O-N 3.34Å; E734-N738 WeakPolarHBondContact O-CB 3.38Å; E734-N738 PolarHBondContact O-N 3.26Å; E734-N738 PolarHBondContact O-ND2 2.75Å
735	Q	78.4	Confident	72.5	Confident	118 Å²	118	118.1 Å²	118.1	55%	0.551	57%	0.567	S	S	*	*	H	α-helix	trans	-64.4	-38.3	173.7	-75.6	176.3	5.1	0	0	112.8	L731 Q733 Q739	L731-Q735 WeakPolarHBondContact O-CB 3.28Å; L731-Q735 VanDerWaalsContact O-CG 3.25Å; L731-Q735 WeakPolarHBondContact O-CG 3.33Å; L731-Q735 PolarHBondContact O-N 2.69Å; Q733-Q735 VanDerWaalsContact C-N 3.33Å; Q733-Q735 PolarHBondContact O-N 3.05Å; Q735-Q739 WeakPolarHBondContact O-CG 3.49Å; Q735-Q739 PolarHBondContact O-N 2.95Å
736	K	76.4	Confident	70.7	Confident	144 Å²	144	119.3 Å²	119.3	63%	0.626	58%	0.579	S	S	*	*	H	α-helix	trans	-68.7	-45.1	175.6	-76.5	-178.6	178.1	-170.7	0	112.1	Q732 Q733 N738 Q739 E740	Q732-K736 WeakPolarHBondContact O-CG 3.25Å; Q732-K736 PolarHBondContact O-N 3.12Å; Q732-K736 VanDerWaalsContact O-N 3.11Å; Q733-K736 PolarHBondContact O-N 3.19Å; K736-N738 VanDerWaalsContact C-N 3.26Å; K736-N738 PolarHBondContact O-N 2.97Å; K736-Q739 PolarHBondContact O-N 2.93Å; K736-E740 PolarHBondContact O-N 3.02Å; K736-E740 VanDerWaalsContact O-N 3.15Å
737	Q	68.3	Low	68.6	Low	135 Å²	135	126.1 Å²	126.1	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-63.9	-31	176.9	-75.5	-178.6	-11.2	0	0	112.6	Q733 E734 Q739 P741	Q733-Q737 PolarHBondContact O-N 3.03Å; E734-Q737 PolarHBondContact O-N 3.34Å; Q737-Q739 VanDerWaalsContact C-N 3.34Å; Q737-P741 WeakPolarHBondContact O-CD 3.42Å
738	N	66.1	Low	67.6	Low	124 Å²	124	127.2 Å²	127.2	66%	0.663	63%	0.629	S	S	*	*	H	α-helix	trans	-78.7	-13.3	174	-75	-21.7	0	0	0	114	E734 K736	E734-N738 WeakPolarHBondContact O-CB 3.38Å; E734-N738 PolarHBondContact O-N 3.26Å; E734-N738 PolarHBondContact O-ND2 2.75Å; K736-N738 VanDerWaalsContact C-N 3.26Å; K736-N738 PolarHBondContact O-N 2.97Å
739	Q	59	Low	66.4	Low	131 Å²	131	130.2 Å²	130.2	61%	0.612	64%	0.642	S	S	*	*	H	α-helix	trans	-93.1	-27.5	176	-75.9	178.4	7	0	0	113	Q735 K736 Q737 K742	Q735-Q739 WeakPolarHBondContact O-CG 3.49Å; Q735-Q739 PolarHBondContact O-N 2.95Å; K736-Q739 PolarHBondContact O-N 2.93Å; Q737-Q739 VanDerWaalsContact C-N 3.34Å; Q739-K742 PolarHBondContact O-N 2.97Å; Q739-K742 VanDerWaalsContact O-N 3.16Å
740	E	55.3	Low	65.3	Low	135 Å²	135	129.2 Å²	129.2	63%	0.631	65%	0.647	S	S	*	*	H	α-helix	trans	-63.3	-31.9	-179.3	-78.7	176.9	166.6	0	0	115.5	K736 K742	K736-E740 PolarHBondContact O-N 3.02Å; K736-E740 VanDerWaalsContact O-N 3.15Å; E740-K742 VanDerWaalsContact C-N 3.26Å; E740-K742 PolarHBondContact O-N 3.16Å
741	P	53.8	Low	64.2	Low	87 Å²	87	129.4 Å²	129.4	57%	0.565	65%	0.653	S	S	*	*	H	α-helix	trans	-74.4	-10.4	174.6	-15.4	28.9	0	0	0	114.3	Q737	Q737-P741 WeakPolarHBondContact O-CD 3.42Å
742	K	52.1	Low	63	Low	158 Å²	158	132 Å²	132	69%	0.687	67%	0.665	S	S	*	*	H	α-helix	trans	-91.3	-17.8	179.7	-75	-173.6	176.6	-178.8	0	113.8	Q739 E740	Q739-K742 PolarHBondContact O-N 2.97Å; Q739-K742 VanDerWaalsContact O-N 3.16Å; E740-K742 VanDerWaalsContact C-N 3.26Å; E740-K742 PolarHBondContact O-N 3.16Å
743	L	52.2	Low	61.7	Low	136 Å²	136	132.9 Å²	132.9	71%	0.712	67%	0.673	S	S	*	*	H	α-helix	trans	-88.1	-22.9	176	-106.7	86.1	0	0	0	113.7
744	Q	50.8	Low	60.4	Low	164 Å²	164	133.4 Å²	133.4	77%	0.766	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-5.6	177.5	-69.6	-176.1	-6.2	0	0	114
745	A	56.9	Low	59	Low	82 Å²	82	135.7 Å²	135.7	68%	0.678	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	7.9	174.3	0	0	0	0	0	113.3
746	Q	53.8	Low	57.4	Low	174 Å²	174	137.2 Å²	137.2	81%	0.813	71%	0.705	S	S	*	*			trans	-122	12.8	178.8	-72.8	-171.3	-14.2	0	0	113.9
747	T	44.5	Very low	55.7	Low	176 Å²	176	136.5 Å²	136.5	100%	1.08	71%	0.713	S	S	*	*			trans	-128.5	0	165.3	37	0	0	0	0	107.7

Retrieved 747 of 747 residues in 170.2 ms (Link to these results)

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