A0A087Y6K9_POEFO Loading...

Protein phosphatase, Mg2+/Mn2+ dependent, 1J

AlphaFold DB , UniProt , Accession A0A087Y6K9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 497 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	39.7	Very low	33.1	Very low	243 Å²	243	151.2 Å²	151.2	100%	1.197	82%	0.816	S	S	*	*				0	63.7	0	-68.5	-179.5	-151.1	0	0	110.8
2	I	33.8	Very low	33.6	Very low	168 Å²	168	149.9 Å²	149.9	86%	0.862	81%	0.808	S	S	*	*			trans	-123.3	6.6	-170	-67.2	174	0	0	0	112.6
3	S	28.6	Very low	33.4	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	81%	0.811	S	S	*	*	S	Bend	trans	-107.9	12	-170.8	84.1	0	0	0	0	117.1
4	K	34	Very low	33	Very low	202 Å²	202	144 Å²	144	88%	0.878	81%	0.81	S	S	*	*	S	Bend	trans	-108.4	3.3	-173.2	-72.6	-168.3	176.1	-175.9	0	116.9
5	V	39.3	Very low	32.9	Very low	113 Å²	113	139.4 Å²	139.4	69%	0.685	81%	0.807	S	S	*	*	S	Bend	trans	-113	-6.8	-178.3	-175.2	0	0	0	0	113.6	N7	V5-N7 VanDerWaalsContact C-N 3.32Å; V5-N7 PolarHBondContact O-N 2.92Å
6	K	30.9	Very low	32.6	Very low	187 Å²	187	142.8 Å²	142.8	81%	0.813	82%	0.817	S	S	*	*	G	3₁₀ helix	trans	-72	-15.9	-176.7	-95.4	-175.9	173.1	-177	0	115.6
7	N	29.6	Very low	32.7	Very low	162 Å²	162	144.5 Å²	144.5	87%	0.866	82%	0.818	S	S	*	*	G	3₁₀ helix	trans	-91.1	-6.5	-176.5	-77.5	1.6	0	0	0	114.9	V5	V5-N7 VanDerWaalsContact C-N 3.32Å; V5-N7 PolarHBondContact O-N 2.92Å
8	A	32.5	Very low	32.5	Very low	89 Å²	89	143 Å²	143	74%	0.736	82%	0.815	S	S	*	*	G	3₁₀ helix	trans	-89.3	-6.4	179	0	0	0	0	0	114.1
9	M	36.2	Very low	32.3	Very low	141 Å²	141	145.6 Å²	145.6	70%	0.695	82%	0.819	S	S	*	*	S	Bend	trans	-109.4	3.3	-170.3	-71.3	-155.6	143.6	0	0	116
10	S	29.8	Very low	32.1	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	81%	0.814	S	S	*	*	S	Bend	trans	-92.6	-9.2	-176.6	-165.7	0	0	0	0	115.6
11	N	29.7	Very low	31.9	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	82%	0.816	S	S	*	*	S	Bend	trans	-98.7	11.6	-172.9	-73.4	-2.8	0	0	0	114.9
12	L	39.3	Very low	31.4	Very low	136 Å²	136	141.1 Å²	141.1	71%	0.712	80%	0.8	S	S	*	*	S	Bend	trans	-106	11.1	-176.5	-147.5	78.5	0	0	0	114.8
13	V	31.2	Very low	31.1	Very low	140 Å²	140	142 Å²	142	85%	0.848	80%	0.8	S	S	*	*	S	Bend	trans	-140.4	111.5	175.3	-174.6	0	0	0	0	110.2
14	G	27.6	Very low	31.1	Very low	77 Å²	77	145.1 Å²	145.1	79%	0.794	80%	0.802	S	S	*	*			trans	95.3	124.9	164.3	0	0	0	0	0	114.7
15	G	31.2	Very low	30.7	Very low	75 Å²	75	143 Å²	143	77%	0.773	80%	0.801	S	S	*	*			trans	-69.9	176.9	171.4	0	0	0	0	0	113.5
16	M	27.9	Very low	30.3	Very low	194 Å²	194	145.4 Å²	145.4	96%	0.956	80%	0.804	S	S	*	*			trans	92.5	93.9	-172.5	-56.1	177.9	105.6	0	0	113.4
17	M	33.9	Very low	30.2	Very low	171 Å²	171	145.6 Å²	145.6	84%	0.842	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.1	137.6	160.8	-74.4	-75.3	175.9	0	0	109.4
18	P	29.2	Very low	30.2	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.6	145.8	168.3	27.6	-20	0	0	0	110.8	G20	P18-G20 PolarHBondContact O-N 3.18Å
19	H	30.3	Very low	30	Very low	193 Å²	193	143.2 Å²	143.2	89%	0.894	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-52	117.8	174.7	-88.6	29	0	0	0	112.4
20	G	26.6	Very low	29.7	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	82%	0.822	S	S	*	*			trans	-99.3	109.3	161	0	0	0	0	0	109.6	P18 H22	P18-G20 PolarHBondContact O-N 3.18Å; G20-H22 PolarHBondContact O-N 2.97Å
21	H	27.8	Very low	29.6	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.856	83%	0.83	S	S	*	*			trans	-60	114.8	168.3	-91.1	-62.4	0	0	0	110.1
22	H	30.1	Very low	29.8	Very low	186 Å²	186	142 Å²	142	86%	0.861	83%	0.834	S	S	*	*			trans	-104.9	118.8	160	-92.3	-53.9	0	0	0	110.1	G20 H24	G20-H22 PolarHBondContact O-N 2.97Å; H22-H24 PolarHBondContact O-N 3.41Å
23	H	27.1	Very low	29.6	Very low	186 Å²	186	142.1 Å²	142.1	86%	0.861	84%	0.836	S	S	*	*			trans	-57.4	128.3	173.8	-98.8	-83.4	0	0	0	111.2
24	H	29.8	Very low	29.9	Very low	173 Å²	173	140.9 Å²	140.9	80%	0.801	83%	0.833	S	S	*	*			trans	-57.9	132.8	161.8	-81.9	-74.4	0	0	0	110.6	H22	H22-H24 PolarHBondContact O-N 3.41Å
25	N	25.6	Very low	30	Very low	159 Å²	159	140.9 Å²	140.9	85%	0.85	83%	0.833	S	S	*	*			trans	-139.4	100.5	149.8	-130.9	10.5	0	0	0	109.5
26	H	30.5	Very low	30.3	Very low	162 Å²	162	146.5 Å²	146.5	75%	0.75	84%	0.839	S	S	*	*			trans	-62.2	131.1	158.2	-99.2	-62	0	0	0	108.2
27	H	28.1	Very low	31.3	Very low	191 Å²	191	146.4 Å²	146.4	88%	0.884	84%	0.836	S	S	*	*			trans	-152.9	125.7	145.5	-105.5	34.4	0	0	0	110.7
28	S	30.5	Very low	33.5	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	83%	0.829	S	S	*	*			trans	-82.4	144.6	172.8	-39.4	0	0	0	0	109.7
29	G	26.9	Very low	36.3	Very low	80 Å²	80	140 Å²	140	83%	0.825	82%	0.815	S	S	*	*			trans	149.2	120.6	165.2	0	0	0	0	0	113.8
30	G	31.8	Very low	39.3	Very low	90 Å²	90	134.7 Å²	134.7	93%	0.928	80%	0.797	S	S	*	*			trans	-73	153.9	177.3	0	0	0	0	0	114.2
31	G	25.8	Very low	42.3	Very low	82 Å²	82	137.5 Å²	137.5	85%	0.845	79%	0.791	S	S	*	*			trans	171.3	111.1	171.5	0	0	0	0	0	111.8
32	Q	34.5	Very low	45.3	Very low	192 Å²	192	132.4 Å²	132.4	90%	0.897	76%	0.764	S	S	*	*			trans	-68.3	131.4	172.8	-66	170.9	-29.3	0	0	110.9
33	N	35.3	Very low	48.4	Very low	140 Å²	140	125.7 Å²	125.7	75%	0.749	73%	0.733	S	S	*	*				150	149.5	90.2	-145.5	0.5	0	0	0	113.9
34	S	37.1	Very low	51.6	Low	114 Å²	114	121.8 Å²	121.8	80%	0.797	72%	0.724	S	S	*	*			trans	86.3	94.2	158.6	71.1	0	0	0	0	120.2
35	G	30.7	Very low	54.7	Low	76 Å²	76	116.3 Å²	116.3	78%	0.784	70%	0.697	S	S	*	*	S	Bend	trans	178.4	76.6	162	0	0	0	0	0	112.1
36	Q	36.5	Very low	57.9	Low	194 Å²	194	109.7 Å²	109.7	91%	0.907	67%	0.666	S	S	*	*			trans	46	88.8	177.4	-73.7	-177.1	-17.5	0	0	115.6	G38	Q36-G38 PolarHBondContact O-N 2.77Å
37	E	49.5	Very low	61.1	Low	192 Å²	192	102.5 Å²	102.5	90%	0.897	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-59.4	120.6	162.6	-75.1	-180	159.4	0	0	108.8
38	G	79.1	Confident	64.4	Low	68 Å²	68	93.5 Å²	93.5	70%	0.701	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-59.6	154.8	173.9	0	0	0	0	0	111.3	Q36	Q36-G38 PolarHBondContact O-N 2.77Å
39	L	88.7	Confident	67.4	Low	87 Å²	87	93 Å²	93	46%	0.455	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-53.8	142.4	174.8	-66.8	174.3	0	0	0	110.3	K243 A247	L39-K243 WeakPolarHBondContact CD1-O 3.5Å; L39-A247 HydrophobicContact CB-CB 4.34Å; L39-A247 VanDerWaalsContact O-CB 3.25Å; L39-A247 WeakPolarHBondContact O-CB 3.43Å
40	P	92.9	Very high	70.7	Confident	80 Å²	80	90.7 Å²	90.7	52%	0.519	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-65.7	154.1	177.4	28.7	-35	0	0	0	110.9	Y246 A247	P40-Y246 HydrophobicContact CG-CD1 4.13Å; P40-Y246 HydrophobicContact CG-CE1 4.46Å; P40-Y246 CarbonylContact O-C 3.57Å; P40-Y246 WeakPolarHBondContact O-CA 3.48Å; P40-Y246 WeakPolarHBondContact O-CB 3.37Å; P40-A247 PolarHBondContact O-N 2.87Å
41	H	89.4	Confident	73.8	Confident	129 Å²	129	86.5 Å²	86.5	60%	0.597	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-68.9	136.2	170.4	-68.9	-70.7	0	0	0	110.9	F43 A247	H41-F43 VanDerWaalsContact C-N 3.33Å; H41-A247 PolarHBondContact ND1-O 3.18Å
42	R	92	Very high	77	Confident	77 Å²	77	87.2 Å²	87.2	29%	0.291	49%	0.487	S	S	.	.	S	Bend	trans	-64.4	-40.5	174.9	176.8	59.7	-175.8	87.4	-1.6	112.1	E242 Y246 I248	R42-E242 WeakPolarHBondContact CD-OE2 3.33Å; R42-E242 WeakPolarHBondContact CG-OE2 3.34Å; R42-E242 IonicContact NE-OE1 2.98Å; R42-E242 IonicContact NE-OE2 2.88Å; R42-E242 PolarHBondContact NE-OE2 3Å; R42-E242 VanDerWaalsContact NE-OE2 3.08Å; R42-Y246 HydrophobicContact CB-CD1 3.95Å; R42-Y246 HydrophobicContact CB-CD2 4.11Å; R42-Y246 HydrophobicContact CB-CG 3.66Å; R42-Y246 VanDerWaalsContact CD-CE2 3.5Å; R42-Y246 HydrophobicContact CG-CD2 4.32Å; R42-Y246 HydrophobicContact CG-CG 4.34Å; R42-I248 HydrophobicContact CB-CG1 4.39Å
43	F	95.1	Very high	79.8	Confident	45 Å²	45	80.3 Å²	80.3	20%	0.197	46%	0.456	C	S	.	.	S	Bend	trans	-135	134.2	171.9	-61.5	-71.5	0	0	0	106.8	H41 I147 M148 K151 L152	H41-F43 VanDerWaalsContact C-N 3.33Å; F43-I147 HydrophobicContact CB-CG2 3.62Å; F43-I147 HydrophobicContact CD2-CG2 4.39Å; F43-I147 HydrophobicContact CG-CG2 4.32Å; F43-M148 HydrophobicContact CD2-CG 4.35Å; F43-M148 HydrophobicContact CE2-CG 4.04Å; F43-K151 HydrophobicContact CD1-CG 4.24Å; F43-K151 HydrophobicContact CD2-CB 4.48Å; F43-K151 HydrophobicContact CD2-CG 4.21Å; F43-K151 HydrophobicContact CE1-CB 4.37Å; F43-K151 HydrophobicContact CE1-CG 4.26Å; F43-K151 HydrophobicContact CE2-CB 4.04Å; F43-K151 HydrophobicContact CE2-CG 4.24Å; F43-K151 HydrophobicContact CG-CG 4.21Å; F43-K151 HydrophobicContact CZ-CB 3.98Å; F43-K151 HydrophobicContact CZ-CG 4.27Å; F43-L152 HydrophobicContact CE2-CD1 4.12Å; F43-L152 HydrophobicContact CE2-CG 4.21Å; F43-L152 HydrophobicContact CZ-CD1 4.3Å; F43-L152 HydrophobicContact CZ-CD2 4.03Å; F43-L152 HydrophobicContact CZ-CG 4.22Å
44	P	93.6	Very high	82.6	Confident	104 Å²	104	76.5 Å²	76.5	68%	0.675	44%	0.438	S	S	*	.			trans	-62.9	155.5	175	28.8	-34.5	0	0	0	110.2	G46	P44-G46 PolarHBondContact O-N 2.76Å
45	Y	95.1	Very high	85.3	Confident	59 Å²	59	75.8 Å²	75.8	23%	0.231	43%	0.43	C	S	.	.			trans	-59.2	135.7	171.1	175.4	-98.6	0	0	0	110.6	L58 L95 N96 S143 I147	Y45-L58 HydrophobicContact CE1-CD1 4.33Å; Y45-L95 HydrophobicContact CD1-CD1 4.09Å; Y45-L95 HydrophobicContact CD1-CD2 4.24Å; Y45-L95 HydrophobicContact CD2-CD1 3.76Å; Y45-L95 HydrophobicContact CE1-CB 4.44Å; Y45-L95 HydrophobicContact CE1-CD1 4.2Å; Y45-L95 HydrophobicContact CE1-CD2 3.77Å; Y45-L95 HydrophobicContact CE1-CG 4.35Å; Y45-L95 HydrophobicContact CE2-CB 3.78Å; Y45-L95 HydrophobicContact CE2-CD1 3.88Å; Y45-L95 HydrophobicContact CE2-CG 4.28Å; Y45-L95 HydrophobicContact CG-CD1 3.85Å; Y45-N96 WeakPolarHBondContact CE2-O 3.42Å; Y45-N96 PolarHBondContact OH-N 3.21Å; Y45-N96 PolarHBondContact OH-O 3.08Å; Y45-S143 WeakPolarHBondContact CD2-OG 3.45Å; Y45-I147 HydrophobicContact CD2-CD1 3.98Å
46	G	93.9	Very high	88.3	Confident	20 Å²	20	78.6 Å²	78.6	21%	0.206	42%	0.423	C	S	.	.			trans	-160.1	170.4	176	0	0	0	0	0	110.3	P44 Q99	P44-G46 PolarHBondContact O-N 2.76Å; G46-Q99 PolarHBondContact O-NE2 3.04Å
47	R	96.2	Very high	91	Very high	11 Å²	11	73.5 Å²	73.5	4%	0.042	40%	0.402	C	S	.	.	S	Bend	trans	-91	170.8	167.7	-58.6	-60.4	-68.6	-120.5	20.4	108.6	D49 L51 L53 L58 E86 N96	R47-D49 PolarHBondContact O-N 3.25Å; R47-L51 HydrophobicContact CB-CD1 4.05Å; R47-L53 HydrophobicContact CB-CD1 3.8Å; R47-L53 HydrophobicContact CG-CD1 3.7Å; R47-L58 HydrophobicContact CG-CD1 3.54Å; R47-E86 VanDerWaalsContact CZ-CD 3.45Å; R47-E86 IonicContact CZ-OE1 3.34Å; R47-E86 IonicContact CZ-OE2 3.67Å; R47-E86 IonicContact NE-OE1 2.57Å; R47-E86 PolarHBondContact NE-OE1 3.34Å; R47-E86 IonicContact NE-OE2 3.33Å; R47-E86 IonicContact NH1-OE1 2.87Å; R47-E86 VanDerWaalsContact NH2-CG 3.33Å; R47-E86 IonicContact NH2-OE1 2.88Å; R47-E86 PolarHBondContact NH2-OE1 3.47Å; R47-E86 IonicContact NH2-OE2 3.68Å; R47-E86 PolarHBondContact NH2-OE2 3.05Å; R47-N96 VanDerWaalsContact CZ-CB 3.43Å; R47-N96 PolarHBondContact NH2-ND2 3.29Å; R47-N96 PolarHBondContact NH2-OD1 3.41Å
48	P	97.3	Very high	93.1	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.013	37%	0.372	C	S	.	.			trans	-48.2	131.3	177	-29.1	33.9	0	0	0	112.6	F50 L51 Y84 E86 A100	P48-F50 HydrophobicContact CB-CD1 4.12Å; P48-F50 HydrophobicContact CB-CD2 4.33Å; P48-F50 HydrophobicContact CB-CE1 3.62Å; P48-F50 HydrophobicContact CB-CE2 3.84Å; P48-F50 HydrophobicContact CB-CG 4.45Å; P48-F50 HydrophobicContact CB-CZ 3.45Å; P48-F50 VanDerWaalsContact CB-CZ 3.45Å; P48-F50 HydrophobicContact CG-CZ 4.17Å; P48-F50 PolarHBondContact O-N 3.43Å; P48-F50 VanDerWaalsContact O-N 3.13Å; P48-L51 HydrophobicContact CB-CD1 4.14Å; P48-L51 HydrophobicContact CB-CG 4.29Å; P48-L51 HydrophobicContact CG-CD1 4.11Å; P48-L51 WeakPolarHBondContact O-CB 3.47Å; P48-L51 PolarHBondContact O-N 3.43Å; P48-Y84 WeakPolarHBondContact CG-OH 3.45Å; P48-E86 WeakPolarHBondContact CD-OE2 3.02Å; P48-A100 HydrophobicContact CB-CB 4.22Å; P48-A100 HydrophobicContact CG-CB 3.72Å
49	D	94.4	Very high	93.8	Very high	110 Å²	110	70 Å²	70	59%	0.588	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-58.1	-35.3	-169.7	-71.6	-14.1	0	0	0	112.6	R47 L51 D52 K151	R47-D49 PolarHBondContact O-N 3.25Å; D49-L51 PolarHBondContact O-N 3.38Å; D49-L51 VanDerWaalsContact O-N 3.1Å; D49-D52 PolarHBondContact O-N 2.97Å; D49-K151 IonicContact OD1-NZ 2.64Å; D49-K151 PolarHBondContact OD1-NZ 3.34Å; D49-K151 IonicContact OD2-NZ 2.92Å; D49-K151 PolarHBondContact OD2-NZ 2.86Å
50	F	95.6	Very high	94	Very high	32 Å²	32	72 Å²	72	14%	0.14	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-66.1	-10.4	-179.5	59.2	-112.5	0	0	0	114	P48 D52 L72 L78 Y84 A100 C102 F486	P48-F50 HydrophobicContact CB-CD1 4.12Å; P48-F50 HydrophobicContact CB-CD2 4.33Å; P48-F50 HydrophobicContact CB-CE1 3.62Å; P48-F50 HydrophobicContact CB-CE2 3.84Å; P48-F50 HydrophobicContact CB-CG 4.45Å; P48-F50 HydrophobicContact CB-CZ 3.45Å; P48-F50 VanDerWaalsContact CB-CZ 3.45Å; P48-F50 HydrophobicContact CG-CZ 4.17Å; P48-F50 PolarHBondContact O-N 3.43Å; P48-F50 VanDerWaalsContact O-N 3.13Å; F50-D52 VanDerWaalsContact C-N 3.33Å; F50-L72 HydrophobicContact CD2-CD2 3.59Å; F50-L72 HydrophobicContact CE2-CD2 4.02Å; F50-L78 HydrophobicContact CB-CD2 3.73Å; F50-L78 HydrophobicContact CD1-CD2 4.18Å; F50-L78 HydrophobicContact CD2-CD2 3.97Å; F50-L78 HydrophobicContact CE2-CD1 4.47Å; F50-L78 HydrophobicContact CG-CD2 3.7Å; F50-Y84 AromaticContact CE2-CD1 3.6Å; F50-Y84 HydrophobicContact CE2-CD1 3.6Å; F50-Y84 HydrophobicContact CE2-CD2 4.09Å; F50-Y84 AromaticContact CE2-CE1 3.88Å; F50-Y84 HydrophobicContact CE2-CE1 3.88Å; F50-Y84 HydrophobicContact CE2-CE2 4.33Å; F50-Y84 AromaticContact CE2-CG 3.69Å; F50-Y84 HydrophobicContact CE2-CG 3.69Å; F50-Y84 HydrophobicContact CZ-CD1 4.11Å; F50-Y84 AromaticContact CZ-CD2 3.83Å; F50-Y84 HydrophobicContact CZ-CD2 3.83Å; F50-Y84 HydrophobicContact CZ-CE1 4.13Å; F50-Y84 AromaticContact CZ-CE2 3.84Å; F50-Y84 HydrophobicContact CZ-CE2 3.84Å; F50-Y84 AromaticContact CZ-CG 3.93Å; F50-Y84 HydrophobicContact CZ-CG 3.93Å; F50-Y84 AromaticContact CZ-CZ 3.99Å; F50-A100 HydrophobicContact CE1-CB 4.23Å; F50-A100 HydrophobicContact CZ-CB 3.95Å; F50-C102 HydrophobicContact CD1-CB 3.99Å; F50-C102 HydrophobicContact CE1-CB 3.95Å; F50-F486 HydrophobicContact CE1-CZ 4.15Å; F50-F486 HydrophobicContact CZ-CE1 4.38Å; F50-F486 AromaticContact CZ-CZ 3.9Å; F50-F486 HydrophobicContact CZ-CZ 3.9Å
51	L	96.3	Very high	94	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-77.2	-21.5	172.6	-65	172.8	0	0	0	112.5	R47 P48 D49 L53 V70 L72 Y84 E86	R47-L51 HydrophobicContact CB-CD1 4.05Å; P48-L51 HydrophobicContact CB-CD1 4.14Å; P48-L51 HydrophobicContact CB-CG 4.29Å; P48-L51 HydrophobicContact CG-CD1 4.11Å; P48-L51 WeakPolarHBondContact O-CB 3.47Å; P48-L51 PolarHBondContact O-N 3.43Å; D49-L51 PolarHBondContact O-N 3.38Å; D49-L51 VanDerWaalsContact O-N 3.1Å; L51-L53 HydrophobicContact CB-CD2 4Å; L51-L53 HydrophobicContact CB-CG 3.85Å; L51-L53 PolarHBondContact O-N 3.04Å; L51-V70 HydrophobicContact CD1-CG1 4.02Å; L51-V70 HydrophobicContact CD2-CG1 4.18Å; L51-L72 HydrophobicContact CD2-CD2 4.35Å; L51-Y84 HydrophobicContact CD1-CE1 4.09Å; L51-Y84 HydrophobicContact CD2-CD1 3.85Å; L51-Y84 HydrophobicContact CD2-CE1 4Å; L51-Y84 HydrophobicContact CG-CE1 4.38Å; L51-E86 VanDerWaalsContact CD1-CD 3.45Å; L51-E86 HydrophobicContact CD1-CG 4.33Å; L51-E86 WeakPolarHBondContact CD1-OE1 3.43Å
52	D	93.4	Very high	94.2	Very high	98 Å²	98	63.3 Å²	63.3	52%	0.524	33%	0.325	S	S	.	.			trans	49	46	177.5	-175.1	42.6	0	0	0	112.2	D49 F50 T54 K73	D49-D52 PolarHBondContact O-N 2.97Å; F50-D52 VanDerWaalsContact C-N 3.33Å; D52-T54 PolarHBondContact O-N 2.92Å; D52-K73 IonicContact OD2-NZ 2.73Å; D52-K73 PolarHBondContact OD2-NZ 3.4Å
53	L	94.3	Very high	94.3	Very high	46 Å²	46	64 Å²	64	24%	0.241	33%	0.332	C	S	.	.			trans	-72.8	129.3	-176.9	-59.2	-174.7	0	0	0	110.8	R47 L51 L57 L58 V70	R47-L53 HydrophobicContact CB-CD1 3.8Å; R47-L53 HydrophobicContact CG-CD1 3.7Å; L51-L53 HydrophobicContact CB-CD2 4Å; L51-L53 HydrophobicContact CB-CG 3.85Å; L51-L53 PolarHBondContact O-N 3.04Å; L53-L57 HydrophobicContact CB-CB 4.29Å; L53-L57 HydrophobicContact CD2-CB 4.26Å; L53-L58 HydrophobicContact CB-CB 4.49Å; L53-L58 HydrophobicContact CD1-CD1 4.5Å; L53-V70 HydrophobicContact CD1-CG1 4.26Å; L53-V70 HydrophobicContact CD2-CG1 3.89Å
54	T	93.5	Very high	94.2	Very high	61 Å²	61	64 Å²	64	37%	0.374	33%	0.332	S	S	.	.			trans	-67.7	160.3	167.4	77.6	0	0	0	0	110.2	D52 E56 L57 L58	D52-T54 PolarHBondContact O-N 2.92Å; T54-E56 VanDerWaalsContact CB-OE2 3.24Å; T54-E56 WeakPolarHBondContact CB-OE2 3.24Å; T54-E56 PolarHBondContact O-N 3Å; T54-E56 VanDerWaalsContact O-N 3.15Å; T54-E56 PolarHBondContact OG1-OE2 2.84Å; T54-L57 PolarHBondContact O-N 2.76Å; T54-L57 PolarHBondContact OG1-N 2.71Å; T54-L58 WeakPolarHBondContact O-CB 3.08Å; T54-L58 PolarHBondContact O-N 3.05Å
55	P	93.9	Very high	94.1	Very high	99 Å²	99	62.1 Å²	62.1	64%	0.643	33%	0.325	S	S	*	.	H	α-helix	trans	-52.8	-35.9	175.8	-28	36.7	0	0	0	113.6	Q59	P55-Q59 WeakPolarHBondContact O-CB 3.44Å; P55-Q59 PolarHBondContact O-N 3.02Å
56	E	93.6	Very high	94	Very high	134 Å²	134	61.5 Å²	61.5	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-68.6	-43	177.6	-56.5	73.5	-157.9	0	0	111.9	T54 Q59 Y60	T54-E56 VanDerWaalsContact CB-OE2 3.24Å; T54-E56 WeakPolarHBondContact CB-OE2 3.24Å; T54-E56 PolarHBondContact O-N 3Å; T54-E56 VanDerWaalsContact O-N 3.15Å; T54-E56 PolarHBondContact OG1-OE2 2.84Å; E56-Q59 PolarHBondContact O-N 3.44Å; E56-Y60 WeakPolarHBondContact O-CB 3.17Å; E56-Y60 PolarHBondContact O-N 2.58Å
57	L	92.9	Very high	94.1	Very high	88 Å²	88	60.5 Å²	60.5	46%	0.461	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-36.2	176.7	-71.1	177.1	0	0	0	111.8	L53 T54 Y60 S61	L53-L57 HydrophobicContact CB-CB 4.29Å; L53-L57 HydrophobicContact CD2-CB 4.26Å; T54-L57 PolarHBondContact O-N 2.76Å; T54-L57 PolarHBondContact OG1-N 2.71Å; L57-Y60 PolarHBondContact O-N 2.98Å; L57-S61 WeakPolarHBondContact O-CB 3.38Å; L57-S61 PolarHBondContact O-N 2.98Å
58	L	93.9	Very high	94.1	Very high	51 Å²	51	60.5 Å²	60.5	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-47.6	172.8	-179.9	61.6	0	0	0	110.4	Y45 R47 L53 T54 Y60 S61	Y45-L58 HydrophobicContact CE1-CD1 4.33Å; R47-L58 HydrophobicContact CG-CD1 3.54Å; L53-L58 HydrophobicContact CB-CB 4.49Å; L53-L58 HydrophobicContact CD1-CD1 4.5Å; T54-L58 WeakPolarHBondContact O-CB 3.08Å; T54-L58 PolarHBondContact O-N 3.05Å; L58-Y60 VanDerWaalsContact C-N 3.33Å; L58-Y60 PolarHBondContact O-N 3.07Å; L58-S61 WeakPolarHBondContact O-CB 3.47Å; L58-S61 PolarHBondContact O-N 3.14Å; L58-S61 PolarHBondContact O-OG 2.89Å
59	Q	93.5	Very high	94.1	Very high	136 Å²	136	62 Å²	62	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-63.3	-37.6	175.9	-176.9	60.3	62.8	0	0	112.6	P55 E56 S61 T62	P55-Q59 WeakPolarHBondContact O-CB 3.44Å; P55-Q59 PolarHBondContact O-N 3.02Å; E56-Q59 PolarHBondContact O-N 3.44Å; Q59-S61 VanDerWaalsContact C-N 3.34Å; Q59-T62 PolarHBondContact NE2-OG1 3.07Å; Q59-T62 PolarHBondContact O-N 3.02Å; Q59-T62 PolarHBondContact O-OG1 2.68Å
60	Y	93	Very high	94.2	Very high	129 Å²	129	57.6 Å²	57.6	51%	0.506	31%	0.307	S	S	.	.	H	α-helix	trans	-66.3	-37.4	174.5	179.7	-114.4	0	0	0	111.7	E56 L57 L58 T62 E63 P68	E56-Y60 WeakPolarHBondContact O-CB 3.17Å; E56-Y60 PolarHBondContact O-N 2.58Å; L57-Y60 PolarHBondContact O-N 2.98Å; L58-Y60 VanDerWaalsContact C-N 3.33Å; L58-Y60 PolarHBondContact O-N 3.07Å; Y60-T62 PolarHBondContact O-N 3.38Å; Y60-T62 VanDerWaalsContact O-N 3.12Å; Y60-E63 VanDerWaalsContact O-CB 3.32Å; Y60-E63 WeakPolarHBondContact O-CB 3.46Å; Y60-E63 PolarHBondContact O-N 3.36Å; Y60-E63 VanDerWaalsContact O-N 3.12Å; Y60-P68 HydrophobicContact CD1-CB 3.98Å; Y60-P68 HydrophobicContact CD1-CG 3.89Å; Y60-P68 HydrophobicContact CE1-CB 3.3Å; Y60-P68 HydrophobicContact CE1-CG 3.68Å; Y60-P68 HydrophobicContact CG-CG 4.47Å; Y60-P68 WeakPolarHBondContact O-CG 3.2Å
61	S	93.3	Very high	94.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-17.3	-179.6	80.6	0	0	0	0	114.3	L57 L58 Q59 I88	L57-S61 WeakPolarHBondContact O-CB 3.38Å; L57-S61 PolarHBondContact O-N 2.98Å; L58-S61 WeakPolarHBondContact O-CB 3.47Å; L58-S61 PolarHBondContact O-N 3.14Å; L58-S61 PolarHBondContact O-OG 2.89Å; Q59-S61 VanDerWaalsContact C-N 3.34Å; S61-I88 WeakPolarHBondContact O-CG2 3.48Å
62	T	93.4	Very high	94.2	Very high	25 Å²	25	58.2 Å²	58.2	15%	0.153	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.3	178.1	64.3	0	0	0	0	113.5	Q59 Y60 H64 L95	Q59-T62 PolarHBondContact NE2-OG1 3.07Å; Q59-T62 PolarHBondContact O-N 3.02Å; Q59-T62 PolarHBondContact O-OG1 2.68Å; Y60-T62 PolarHBondContact O-N 3.38Å; Y60-T62 VanDerWaalsContact O-N 3.12Å; T62-H64 PolarHBondContact O-CE1 3.05Å; T62-H64 PolarHBondContact O-N 3.43Å; T62-H64 PolarHBondContact O-ND1 3.4Å; T62-L95 HydrophobicContact CG2-CD2 4.25Å
63	E	94.3	Very high	94	Very high	92 Å²	92	59 Å²	59	43%	0.43	31%	0.312	S	S	.	.			trans	-78.2	101.9	-177.6	-179	55.7	-107.5	0	0	112.2	Y60 A65 S66 R67	Y60-E63 VanDerWaalsContact O-CB 3.32Å; Y60-E63 WeakPolarHBondContact O-CB 3.46Å; Y60-E63 PolarHBondContact O-N 3.36Å; Y60-E63 VanDerWaalsContact O-N 3.12Å; E63-A65 VanDerWaalsContact C-N 3.3Å; E63-A65 PolarHBondContact O-N 2.96Å; E63-A65 WeakPolarHBondContact OE1-CB 3.22Å; E63-A65 PolarHBondContact OE1-N 3.22Å; E63-A65 VanDerWaalsContact OE1-N 3.16Å; E63-S66 VanDerWaalsContact CG-OG 3.32Å; E63-S66 WeakPolarHBondContact CG-OG 3.37Å; E63-S66 PolarHBondContact O-N 2.88Å; E63-R67 WeakPolarHBondContact O-CA 3.38Å; E63-R67 PolarHBondContact O-N 3.37Å
64	H	93.5	Very high	93.5	Very high	45 Å²	45	68.2 Å²	68.2	21%	0.208	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.4	-178.7	-60	90.4	0	0	0	114.7	T62 R67 I88 N89 G91 S93	T62-H64 PolarHBondContact O-CE1 3.05Å; T62-H64 PolarHBondContact O-N 3.43Å; T62-H64 PolarHBondContact O-ND1 3.4Å; H64-R67 VanDerWaalsContact O-CG 3.25Å; H64-R67 WeakPolarHBondContact O-CG 3.34Å; H64-I88 WeakPolarHBondContact NE2-CD1 3.01Å; H64-N89 PolarHBondContact CD2-O 2.72Å; H64-N89 VanDerWaalsContact CD2-O 3.3Å; H64-G91 VanDerWaalsContact CD2-CA 3.44Å; H64-G91 WeakPolarHBondContact CD2-CA 3.44Å; H64-G91 PolarHBondContact CD2-N 2.53Å; H64-G91 VanDerWaalsContact CD2-N 3.26Å; H64-S93 PolarHBondContact CE1-O 2.91Å; H64-S93 PolarHBondContact NE2-O 3.2Å
65	A	90.5	Very high	93.1	Very high	63 Å²	63	68.7 Å²	68.7	52%	0.521	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-39.2	178.9	0	0	0	0	0	111.9	E63 W470	E63-A65 VanDerWaalsContact C-N 3.3Å; E63-A65 PolarHBondContact O-N 2.96Å; E63-A65 WeakPolarHBondContact OE1-CB 3.22Å; E63-A65 PolarHBondContact OE1-N 3.22Å; E63-A65 VanDerWaalsContact OE1-N 3.16Å; A65-W470 WeakPolarHBondContact O-CZ2 3.39Å
66	S	92.6	Very high	92.9	Very high	46 Å²	46	65.9 Å²	65.9	32%	0.322	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-22.4	-178.4	70.2	0	0	0	0	113.5	E63	E63-S66 VanDerWaalsContact CG-OG 3.32Å; E63-S66 WeakPolarHBondContact CG-OG 3.37Å; E63-S66 PolarHBondContact O-N 2.88Å
67	R	96	Very high	92.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.343	C	S	.	.			trans	40.4	59.6	-177.1	-62.1	177.4	66.7	-161.2	1.7	111.4	E63 H64 V69 I88 N89 R462 W470 S479 D481	E63-R67 WeakPolarHBondContact O-CA 3.38Å; E63-R67 PolarHBondContact O-N 3.37Å; H64-R67 VanDerWaalsContact O-CG 3.25Å; H64-R67 WeakPolarHBondContact O-CG 3.34Å; R67-V69 PolarHBondContact O-N 3.47Å; R67-I88 HydrophobicContact CB-CG2 4.43Å; R67-I88 HydrophobicContact CG-CG2 4.28Å; R67-I88 VanDerWaalsContact CZ-O 3.29Å; R67-I88 PolarHBondContact NE-O 3.06Å; R67-I88 PolarHBondContact NH2-O 2.7Å; R67-N89 PolarHBondContact NE-O 2.95Å; R67-R462 PolarHBondContact O-NH1 3.36Å; R67-W470 HydrophobicContact CB-CH2 3.94Å; R67-W470 HydrophobicContact CB-CZ2 3.93Å; R67-W470 HydrophobicContact CG-CH2 4.17Å; R67-W470 HydrophobicContact CG-CZ2 3.62Å; R67-S479 PolarHBondContact NH1-O 3Å; R67-S479 PolarHBondContact NH2-O 2.93Å; R67-D481 PolarHBondContact NH2-O 2.98Å
68	P	96.4	Very high	92.9	Very high	10 Å²	10	64.1 Å²	64.1	7%	0.065	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-58.3	140	-170.1	27.2	-34.7	0	0	0	110.4	Y60 V70	Y60-P68 HydrophobicContact CD1-CB 3.98Å; Y60-P68 HydrophobicContact CD1-CG 3.89Å; Y60-P68 HydrophobicContact CE1-CB 3.3Å; Y60-P68 HydrophobicContact CE1-CG 3.68Å; Y60-P68 HydrophobicContact CG-CG 4.47Å; Y60-P68 WeakPolarHBondContact O-CG 3.2Å; P68-V70 PolarHBondContact O-N 3.05Å
69	V	97.1	Very high	92.9	Very high	33 Å²	33	62.7 Å²	62.7	20%	0.2	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-80	120	174	-174	0	0	0	0	107.7	R67 T71 A85 Q455 L458 M459	R67-V69 PolarHBondContact O-N 3.47Å; V69-T71 HydrophobicContact CG1-CG2 4.15Å; V69-A85 HydrophobicContact CG1-CB 4.28Å; V69-Q455 HydrophobicContact CG1-CG 3.92Å; V69-L458 HydrophobicContact CB-CD2 4.26Å; V69-L458 HydrophobicContact CG1-CD1 4.32Å; V69-L458 HydrophobicContact CG1-CD2 3.75Å; V69-L458 HydrophobicContact CG2-CD2 3.58Å; V69-M459 HydrophobicContact CG2-CG 3.9Å
70	V	97.6	Very high	92.9	Very high	18 Å²	18	56.9 Å²	56.9	11%	0.109	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.4	178	-176.5	0	0	0	0	108.1	L51 L53 P68 A85 E86	L51-V70 HydrophobicContact CD1-CG1 4.02Å; L51-V70 HydrophobicContact CD2-CG1 4.18Å; L53-V70 HydrophobicContact CD1-CG1 4.26Å; L53-V70 HydrophobicContact CD2-CG1 3.89Å; P68-V70 PolarHBondContact O-N 3.05Å; V70-A85 CarbonylContact O-C 3.53Å; V70-A85 WeakPolarHBondContact O-CA 3.09Å; V70-E86 HydrophobicContact CB-CG 3.82Å; V70-E86 HydrophobicContact CG1-CG 4.4Å; V70-E86 PolarHBondContact N-O 3.42Å; V70-E86 PolarHBondContact O-N 3.43Å
71	T	97.1	Very high	92.9	Very high	38 Å²	38	51.7 Å²	51.7	23%	0.233	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	176.5	179.2	62.4	0	0	0	0	109.8	V69 K73 A85 T451 Q455	V69-T71 HydrophobicContact CG1-CG2 4.15Å; T71-K73 PolarHBondContact O-N 2.94Å; T71-A85 HydrophobicContact CG2-CB 3.95Å; T71-T451 HydrophobicContact CG2-CG2 4.45Å; T71-Q455 HydrophobicContact CG2-CB 4.01Å; T71-Q455 HydrophobicContact CG2-CG 4Å
72	L	94.2	Very high	93.1	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.052	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-56.5	135.4	175.4	-59.7	179.1	0	0	0	111.9	F50 L51 R74 L78 T451	F50-L72 HydrophobicContact CD2-CD2 3.59Å; F50-L72 HydrophobicContact CE2-CD2 4.02Å; L51-L72 HydrophobicContact CD2-CD2 4.35Å; L72-R74 PolarHBondContact O-N 2.97Å; L72-L78 HydrophobicContact CD1-CD1 4.01Å; L72-L78 HydrophobicContact CD1-CG 3.73Å; L72-L78 HydrophobicContact CD2-CD1 4.04Å; L72-L78 HydrophobicContact CD2-CD2 4.09Å; L72-L78 HydrophobicContact CD2-CG 3.97Å; L72-L78 HydrophobicContact CG-CG 4.5Å; L72-T451 HydrophobicContact CB-CG2 4.35Å; L72-T451 HydrophobicContact CG-CG2 4.5Å
73	K	89.5	Confident	93.3	Very high	113 Å²	113	50.5 Å²	50.5	49%	0.491	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-59	134.7	169.9	178.4	176.1	174.1	179.3	0	110	D52 T71 G75 T76	D52-K73 IonicContact OD2-NZ 2.73Å; D52-K73 PolarHBondContact OD2-NZ 3.4Å; T71-K73 PolarHBondContact O-N 2.94Å; K73-G75 PolarHBondContact O-N 3.48Å; K73-T76 WeakPolarHBondContact O-CB 3.47Å; K73-T76 PolarHBondContact O-N 3.34Å; K73-T76 PolarHBondContact O-OG1 3.46Å
74	R	84.6	Confident	93.5	Very high	241 Å²	241	46.1 Å²	46.1	91%	0.909	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	127.2	-179.3	-170.2	-179.6	-174.6	-156.4	1.5	111.1	L72	L72-R74 PolarHBondContact O-N 2.97Å
75	G	84.6	Confident	93.7	Very high	70 Å²	70	44 Å²	44	72%	0.722	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.6	-14.7	-177.8	0	0	0	0	0	114.3	K73	K73-G75 PolarHBondContact O-N 3.48Å
76	T	89.2	Confident	94.1	Very high	41 Å²	41	41 Å²	41	25%	0.252	21%	0.213	S	C	.	.			trans	-76.4	138.8	170.7	-46.5	0	0	0	0	109.6	K73	K73-T76 WeakPolarHBondContact O-CB 3.47Å; K73-T76 PolarHBondContact O-N 3.34Å; K73-T76 PolarHBondContact O-OG1 3.46Å
77	R	90.9	Very high	94.4	Very high	175 Å²	175	38.8 Å²	38.8	66%	0.66	20%	0.197	S	C	*	.			trans	-128.6	132.5	171.9	-68.8	-169.8	-177.3	-159.2	5.4	109.3
78	L	94.8	Very high	94.5	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	20%	0.197	C	C	.	.			trans	-81.6	161	167.8	-63.1	-174.5	0	0	0	110.1	F50 L72 W80 G81 A82 C102 F486	F50-L78 HydrophobicContact CB-CD2 3.73Å; F50-L78 HydrophobicContact CD1-CD2 4.18Å; F50-L78 HydrophobicContact CD2-CD2 3.97Å; F50-L78 HydrophobicContact CE2-CD1 4.47Å; F50-L78 HydrophobicContact CG-CD2 3.7Å; L72-L78 HydrophobicContact CD1-CD1 4.01Å; L72-L78 HydrophobicContact CD1-CG 3.73Å; L72-L78 HydrophobicContact CD2-CD1 4.04Å; L72-L78 HydrophobicContact CD2-CD2 4.09Å; L72-L78 HydrophobicContact CD2-CG 3.97Å; L72-L78 HydrophobicContact CG-CG 4.5Å; L78-W80 PolarHBondContact O-N 3.43Å; L78-G81 WeakPolarHBondContact O-CA 3.43Å; L78-G81 PolarHBondContact O-N 3.07Å; L78-A82 HydrophobicContact CB-CB 4.14Å; L78-A82 HydrophobicContact CD1-CB 4.49Å; L78-C102 HydrophobicContact CD1-CB 4.23Å; L78-C102 HydrophobicContact CD2-CB 4.14Å; L78-F486 HydrophobicContact CD1-CD1 4.45Å; L78-F486 HydrophobicContact CD1-CE1 3.74Å
79	P	94.1	Very high	94.5	Very high	22 Å²	22	38.3 Å²	38.3	14%	0.143	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-36.8	132.1	162.3	-34.2	33.7	0	0	0	113.3	G81 A82 C102 K104 W134	P79-G81 PolarHBondContact O-N 3.03Å; P79-G81 VanDerWaalsContact O-N 3.14Å; P79-A82 WeakPolarHBondContact O-CB 3.27Å; P79-A82 PolarHBondContact O-N 3.15Å; P79-C102 VanDerWaalsContact CD-SG 3.5Å; P79-K104 HydrophobicContact CG-CB 4.41Å; P79-W134 HydrophobicContact CB-CZ2 3.87Å
80	W	93.5	Very high	94.4	Very high	14 Å²	14	38.8 Å²	38.8	5%	0.053	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	60.1	14.2	-176.2	-60.9	6.6	0	0	0	114.5	L78 A82 H132 W134 Y259 L264 L404 I488 P489 H493 E496	L78-W80 PolarHBondContact O-N 3.43Å; W80-A82 PolarHBondContact O-N 3.24Å; W80-H132 AromaticContact NE1-CD2 3.95Å; W80-H132 AromaticContact NE1-CE1 3.61Å; W80-H132 AromaticContact NE1-CG 3.82Å; W80-H132 AromaticContact NE1-ND1 3.6Å; W80-H132 AromaticContact NE1-NE2 3.84Å; W80-W134 HydrophobicContact CB-CZ2 4.23Å; W80-W134 AromaticContact CD2-CH2 3.68Å; W80-W134 HydrophobicContact CD2-CH2 3.68Å; W80-W134 HydrophobicContact CD2-CZ2 4.03Å; W80-W134 AromaticContact CE2-CH2 3.9Å; W80-W134 AromaticContact CE3-CH2 3.88Å; W80-W134 HydrophobicContact CE3-CH2 3.88Å; W80-W134 HydrophobicContact CE3-CZ2 4.3Å; W80-W134 HydrophobicContact CG-CH2 4.06Å; W80-W134 AromaticContact CG-CZ2 3.99Å; W80-W134 HydrophobicContact CG-CZ2 3.99Å; W80-W134 HydrophobicContact CZ2-CH2 4.33Å; W80-W134 HydrophobicContact CZ3-CH2 4.32Å; W80-Y259 HydrophobicContact CH2-CD1 4.36Å; W80-Y259 AromaticContact CH2-CD2 3.35Å; W80-Y259 HydrophobicContact CH2-CD2 3.35Å; W80-Y259 AromaticContact CH2-CE2 3.75Å; W80-Y259 HydrophobicContact CH2-CE2 3.75Å; W80-Y259 AromaticContact CH2-CG 3.65Å; W80-Y259 HydrophobicContact CH2-CG 3.65Å; W80-Y259 AromaticContact CZ2-CD1 3.72Å; W80-Y259 HydrophobicContact CZ2-CD1 3.72Å; W80-Y259 AromaticContact CZ2-CD2 3.57Å; W80-Y259 HydrophobicContact CZ2-CD2 3.57Å; W80-Y259 HydrophobicContact CZ2-CE1 4.04Å; W80-Y259 AromaticContact CZ2-CE2 3.86Å; W80-Y259 HydrophobicContact CZ2-CE2 3.86Å; W80-Y259 AromaticContact CZ2-CG 3.45Å; W80-Y259 HydrophobicContact CZ2-CG 3.45Å; W80-Y259 VanDerWaalsContact CZ2-CG 3.45Å; W80-L264 HydrophobicContact CH2-CD2 4.28Å; W80-L264 HydrophobicContact CZ3-CD2 4.41Å; W80-L404 HydrophobicContact CH2-CD1 3.71Å; W80-L404 HydrophobicContact CZ3-CD1 4.2Å; W80-I488 HydrophobicContact CE3-CG2 3.92Å; W80-P489 HydrophobicContact CB-CG 4.25Å; W80-P489 VanDerWaalsContact CE3-O 3.23Å; W80-P489 WeakPolarHBondContact O-CG 3.15Å; W80-H493 HydrophobicContact CD2-CB 3.89Å; W80-H493 HydrophobicContact CE3-CB 4.07Å; W80-H493 HydrophobicContact CH2-CB 3.54Å; W80-H493 HydrophobicContact CZ2-CB 3.36Å; W80-H493 HydrophobicContact CZ3-CB 3.9Å; W80-E496 WeakPolarHBondContact CA-OE1 3.35Å; W80-E496 WeakPolarHBondContact CA-OE2 3.48Å; W80-E496 PolarHBondContact N-OE1 2.91Å; W80-E496 PolarHBondContact N-OE2 2.66Å
81	G	93.6	Very high	94.1	Very high	19 Å²	19	40.4 Å²	40.4	20%	0.196	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	65.2	25.1	-171	0	0	0	0	0	113.1	L78 P79 G83 Y450	L78-G81 WeakPolarHBondContact O-CA 3.43Å; L78-G81 PolarHBondContact O-N 3.07Å; P79-G81 PolarHBondContact O-N 3.03Å; P79-G81 VanDerWaalsContact O-N 3.14Å; G81-G83 PolarHBondContact O-N 3.26Å; G81-Y450 WeakPolarHBondContact O-CD2 3.18Å
82	A	97.1	Very high	93.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	24%	0.238	C	C	.	.			trans	-53.9	137.7	179.3	0	0	0	0	0	111.7	L78 P79 W80 I487 I488	L78-A82 HydrophobicContact CB-CB 4.14Å; L78-A82 HydrophobicContact CD1-CB 4.49Å; P79-A82 WeakPolarHBondContact O-CB 3.27Å; P79-A82 PolarHBondContact O-N 3.15Å; W80-A82 PolarHBondContact O-N 3.24Å; A82-I487 WeakPolarHBondContact CA-O 3.24Å; A82-I488 HydrophobicContact CB-CG1 4.15Å
83	G	98	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	146.8	174.3	0	0	0	0	0	111.9	G81 Y450 F486 I487	G81-G83 PolarHBondContact O-N 3.26Å; G83-Y450 VanDerWaalsContact CA-C 3.47Å; G83-F486 WeakPolarHBondContact O-CA 3.35Å; G83-F486 WeakPolarHBondContact O-CD1 3.5Å; G83-I487 PolarHBondContact N-O 2.61Å; G83-I487 PolarHBondContact O-N 3.47Å
84	Y	98.7	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.9	176.3	-176.2	-93.2	0	0	0	111.8	P48 F50 L51 E86 A100 T484 V485 F486	P48-Y84 WeakPolarHBondContact CG-OH 3.45Å; F50-Y84 AromaticContact CE2-CD1 3.6Å; F50-Y84 HydrophobicContact CE2-CD1 3.6Å; F50-Y84 HydrophobicContact CE2-CD2 4.09Å; F50-Y84 AromaticContact CE2-CE1 3.88Å; F50-Y84 HydrophobicContact CE2-CE1 3.88Å; F50-Y84 HydrophobicContact CE2-CE2 4.33Å; F50-Y84 AromaticContact CE2-CG 3.69Å; F50-Y84 HydrophobicContact CE2-CG 3.69Å; F50-Y84 HydrophobicContact CZ-CD1 4.11Å; F50-Y84 AromaticContact CZ-CD2 3.83Å; F50-Y84 HydrophobicContact CZ-CD2 3.83Å; F50-Y84 HydrophobicContact CZ-CE1 4.13Å; F50-Y84 AromaticContact CZ-CE2 3.84Å; F50-Y84 HydrophobicContact CZ-CE2 3.84Å; F50-Y84 AromaticContact CZ-CG 3.93Å; F50-Y84 HydrophobicContact CZ-CG 3.93Å; F50-Y84 AromaticContact CZ-CZ 3.99Å; L51-Y84 HydrophobicContact CD1-CE1 4.09Å; L51-Y84 HydrophobicContact CD2-CD1 3.85Å; L51-Y84 HydrophobicContact CD2-CE1 4Å; L51-Y84 HydrophobicContact CG-CE1 4.38Å; Y84-E86 HydrophobicContact CE1-CB 3.84Å; Y84-E86 HydrophobicContact CE1-CG 3.75Å; Y84-E86 PolarHBondContact OH-OE2 2.92Å; Y84-A100 HydrophobicContact CD2-CB 4.46Å; Y84-A100 HydrophobicContact CE2-CB 3.44Å; Y84-A100 VanDerWaalsContact CE2-CB 3.44Å; Y84-A100 WeakPolarHBondContact OH-CB 3.37Å; Y84-T484 HydrophobicContact CE2-CG2 3.53Å; Y84-T484 VanDerWaalsContact OH-CG2 3.3Å; Y84-T484 WeakPolarHBondContact OH-CG2 3.31Å; Y84-V485 WeakPolarHBondContact CA-O 3.36Å; Y84-V485 WeakPolarHBondContact CD2-O 3.46Å; Y84-F486 AromaticContact CD2-CD1 3.78Å; Y84-F486 HydrophobicContact CD2-CD1 3.78Å; Y84-F486 AromaticContact CD2-CD2 3.98Å; Y84-F486 HydrophobicContact CD2-CD2 3.98Å; Y84-F486 AromaticContact CD2-CE1 3.47Å; Y84-F486 HydrophobicContact CD2-CE1 3.47Å; Y84-F486 VanDerWaalsContact CD2-CE1 3.47Å; Y84-F486 AromaticContact CD2-CE2 3.7Å; Y84-F486 HydrophobicContact CD2-CE2 3.7Å; Y84-F486 HydrophobicContact CD2-CG 4.03Å; Y84-F486 AromaticContact CD2-CZ 3.43Å; Y84-F486 HydrophobicContact CD2-CZ 3.43Å; Y84-F486 VanDerWaalsContact CD2-CZ 3.43Å; Y84-F486 HydrophobicContact CE2-CD2 4.22Å; Y84-F486 HydrophobicContact CE2-CE1 4.3Å; Y84-F486 AromaticContact CE2-CE2 3.75Å; Y84-F486 HydrophobicContact CE2-CE2 3.75Å; Y84-F486 AromaticContact CE2-CZ 3.79Å; Y84-F486 HydrophobicContact CE2-CZ 3.79Å; Y84-F486 HydrophobicContact CG-CE1 4.2Å; Y84-F486 HydrophobicContact CG-CZ 4.44Å
85	A	98.6	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	144.5	169	0	0	0	0	0	111	V69 V70 T71 A454 Q455 L458 V485	V69-A85 HydrophobicContact CG1-CB 4.28Å; V70-A85 CarbonylContact O-C 3.53Å; V70-A85 WeakPolarHBondContact O-CA 3.09Å; T71-A85 HydrophobicContact CG2-CB 3.95Å; A85-A454 HydrophobicContact CB-CB 4.03Å; A85-Q455 HydrophobicContact CB-CB 4.46Å; A85-L458 HydrophobicContact CB-CB 4.23Å; A85-L458 HydrophobicContact CB-CD1 3.86Å; A85-V485 PolarHBondContact N-O 2.84Å; A85-V485 VanDerWaalsContact N-O 3.08Å; A85-V485 PolarHBondContact O-N 3.46Å
86	E	98.6	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157	174.2	66.1	-178.4	-160.1	0	0	113.1	R47 P48 L51 V70 Y84 L458 I483	R47-E86 VanDerWaalsContact CZ-CD 3.45Å; R47-E86 IonicContact CZ-OE1 3.34Å; R47-E86 IonicContact CZ-OE2 3.67Å; R47-E86 IonicContact NE-OE1 2.57Å; R47-E86 PolarHBondContact NE-OE1 3.34Å; R47-E86 IonicContact NE-OE2 3.33Å; R47-E86 IonicContact NH1-OE1 2.87Å; R47-E86 VanDerWaalsContact NH2-CG 3.33Å; R47-E86 IonicContact NH2-OE1 2.88Å; R47-E86 PolarHBondContact NH2-OE1 3.47Å; R47-E86 IonicContact NH2-OE2 3.68Å; R47-E86 PolarHBondContact NH2-OE2 3.05Å; P48-E86 WeakPolarHBondContact CD-OE2 3.02Å; L51-E86 VanDerWaalsContact CD1-CD 3.45Å; L51-E86 HydrophobicContact CD1-CG 4.33Å; L51-E86 WeakPolarHBondContact CD1-OE1 3.43Å; V70-E86 HydrophobicContact CB-CG 3.82Å; V70-E86 HydrophobicContact CG1-CG 4.4Å; V70-E86 PolarHBondContact N-O 3.42Å; V70-E86 PolarHBondContact O-N 3.43Å; Y84-E86 HydrophobicContact CE1-CB 3.84Å; Y84-E86 HydrophobicContact CE1-CG 3.75Å; Y84-E86 PolarHBondContact OH-OE2 2.92Å; E86-L458 VanDerWaalsContact C-CD1 3.41Å; E86-I483 CarbonylContact C-O 3.54Å; E86-I483 WeakPolarHBondContact CA-O 3.45Å
87	A	98	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.1	170.7	0	0	0	0	0	110.8	N96 L458 I483	A87-N96 PolarHBondContact O-ND2 3.37Å; A87-L458 HydrophobicContact CB-CD1 4.27Å; A87-L458 HydrophobicContact CB-CD2 3.88Å; A87-I483 PolarHBondContact N-O 3.08Å; A87-I483 PolarHBondContact O-N 3.11Å
88	I	97.6	Very high	95.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.159	C	C	.	.			trans	-65.8	156.5	175	-167.3	163.8	0	0	0	111.7	S61 H64 R67 N96 D482	S61-I88 WeakPolarHBondContact O-CG2 3.48Å; H64-I88 WeakPolarHBondContact NE2-CD1 3.01Å; R67-I88 HydrophobicContact CB-CG2 4.43Å; R67-I88 HydrophobicContact CG-CG2 4.28Å; R67-I88 VanDerWaalsContact CZ-O 3.29Å; R67-I88 PolarHBondContact NE-O 3.06Å; R67-I88 PolarHBondContact NH2-O 2.7Å; I88-N96 HydrophobicContact CB-CB 4.21Å; I88-N96 HydrophobicContact CD1-CB 4.27Å; I88-N96 HydrophobicContact CG1-CB 3.96Å; I88-D482 VanDerWaalsContact C-OD1 3.28Å; I88-D482 WeakPolarHBondContact CA-OD1 3.42Å
89	N	96.5	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.			trans	-58.8	172.8	171.9	64	78.8	0	0	0	113.5	H64 R67 G91 K92 S93 L95 G480 D481 D482	H64-N89 PolarHBondContact CD2-O 2.72Å; H64-N89 VanDerWaalsContact CD2-O 3.3Å; R67-N89 PolarHBondContact NE-O 2.95Å; N89-G91 VanDerWaalsContact C-N 3.29Å; N89-G91 PolarHBondContact O-N 3.14Å; N89-G91 PolarHBondContact OD1-N 3.05Å; N89-K92 HydrophobicContact CB-CB 4.3Å; N89-K92 HydrophobicContact CB-CG 4.47Å; N89-K92 PolarHBondContact OD1-N 3.4Å; N89-S93 PolarHBondContact ND2-OG 3.08Å; N89-S93 PolarHBondContact OD1-N 3.15Å; N89-S93 PolarHBondContact OD1-O 3Å; N89-L95 PolarHBondContact ND2-O 3.36Å; N89-G480 WeakPolarHBondContact CB-O 3.48Å; N89-D481 VanDerWaalsContact CA-C 3.41Å; N89-D481 WeakPolarHBondContact CA-O 3.24Å; N89-D481 VanDerWaalsContact CB-C 3.49Å; N89-D482 PolarHBondContact N-OD1 3.36Å; N89-D482 PolarHBondContact ND2-OD1 2.9Å; N89-D482 VanDerWaalsContact ND2-OD1 3.12Å; N89-D482 PolarHBondContact ND2-OD2 2.82Å; N89-D482 VanDerWaalsContact ND2-OD2 3.1Å
90	A	94.8	Very high	96.3	Very high	43 Å²	43	25.8 Å²	25.8	36%	0.355	15%	0.151	S	C	.	.	S	Bend	trans	-92.8	36.8	-178.1	0	0	0	0	0	113.3	G480	A90-G480 PolarHBondContact N-O 3.31Å
91	G	92.9	Very high	96.5	Very high	52 Å²	52	25.3 Å²	25.3	54%	0.536	15%	0.15	S	C	.	.	S	Bend	trans	97.3	20.1	176.4	0	0	0	0	0	114.2	H64 N89	H64-G91 VanDerWaalsContact CD2-CA 3.44Å; H64-G91 WeakPolarHBondContact CD2-CA 3.44Å; H64-G91 PolarHBondContact CD2-N 2.53Å; H64-G91 VanDerWaalsContact CD2-N 3.26Å; N89-G91 VanDerWaalsContact C-N 3.29Å; N89-G91 PolarHBondContact O-N 3.14Å; N89-G91 PolarHBondContact OD1-N 3.05Å
92	K	91.1	Very high	96.7	Very high	130 Å²	130	24.9 Å²	24.9	57%	0.565	14%	0.144	S	C	*	.	S	Bend	trans	-71.5	-39.5	174.3	-64.8	-174.4	-175.3	-179.8	0	111.6	N89 G480 D481	N89-K92 HydrophobicContact CB-CB 4.3Å; N89-K92 HydrophobicContact CB-CG 4.47Å; N89-K92 PolarHBondContact OD1-N 3.4Å; K92-G480 VanDerWaalsContact CE-O 3.25Å; K92-G480 WeakPolarHBondContact CE-O 3.38Å; K92-D481 WeakPolarHBondContact CD-OD1 3.34Å; K92-D481 IonicContact NZ-OD1 2.69Å; K92-D481 PolarHBondContact NZ-OD1 3.38Å; K92-D481 IonicContact NZ-OD2 3.09Å; K92-D481 PolarHBondContact NZ-OD2 2.95Å
93	S	93.8	Very high	96.7	Very high	23 Å²	23	27.9 Å²	27.9	16%	0.161	16%	0.158	C	C	.	.	S	Bend	trans	-139.4	158	179.5	56.9	0	0	0	0	109.8	H64 N89 L95 E97	H64-S93 PolarHBondContact CE1-O 2.91Å; H64-S93 PolarHBondContact NE2-O 3.2Å; N89-S93 PolarHBondContact ND2-OG 3.08Å; N89-S93 PolarHBondContact OD1-N 3.15Å; N89-S93 PolarHBondContact OD1-O 3Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 2.66Å; S93-L95 PolarHBondContact OG-O 3.12Å; S93-E97 WeakPolarHBondContact CB-OE2 3.42Å; S93-E97 PolarHBondContact OG-OE2 3.31Å
94	M	93.5	Very high	96.5	Very high	153 Å²	153	32 Å²	32	75%	0.754	18%	0.176	S	C	*	.	S	Bend	trans	-70	-27.7	-176.5	-72.3	-60.2	-56.2	0	0	113.2
95	L	94.8	Very high	96.3	Very high	64 Å²	64	32.3 Å²	32.3	34%	0.335	18%	0.177	S	C	.	.	S	Bend	trans	-121.7	158.5	-176.1	-61.7	178.2	0	0	0	108.1	Y45 T62 N89 S93 E97	Y45-L95 HydrophobicContact CD1-CD1 4.09Å; Y45-L95 HydrophobicContact CD1-CD2 4.24Å; Y45-L95 HydrophobicContact CD2-CD1 3.76Å; Y45-L95 HydrophobicContact CE1-CB 4.44Å; Y45-L95 HydrophobicContact CE1-CD1 4.2Å; Y45-L95 HydrophobicContact CE1-CD2 3.77Å; Y45-L95 HydrophobicContact CE1-CG 4.35Å; Y45-L95 HydrophobicContact CE2-CB 3.78Å; Y45-L95 HydrophobicContact CE2-CD1 3.88Å; Y45-L95 HydrophobicContact CE2-CG 4.28Å; Y45-L95 HydrophobicContact CG-CD1 3.85Å; T62-L95 HydrophobicContact CG2-CD2 4.25Å; N89-L95 PolarHBondContact ND2-O 3.36Å; S93-L95 VanDerWaalsContact C-N 3.28Å; S93-L95 PolarHBondContact O-N 2.66Å; S93-L95 PolarHBondContact OG-O 3.12Å; L95-E97 PolarHBondContact O-N 3.29Å
96	N	97.8	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.			trans	-74	123.3	166.2	176.3	-78.8	0	0	0	107.3	Y45 R47 A87 I88 D98 D482	Y45-N96 WeakPolarHBondContact CE2-O 3.42Å; Y45-N96 PolarHBondContact OH-N 3.21Å; Y45-N96 PolarHBondContact OH-O 3.08Å; R47-N96 VanDerWaalsContact CZ-CB 3.43Å; R47-N96 PolarHBondContact NH2-ND2 3.29Å; R47-N96 PolarHBondContact NH2-OD1 3.41Å; A87-N96 PolarHBondContact O-ND2 3.37Å; I88-N96 HydrophobicContact CB-CB 4.21Å; I88-N96 HydrophobicContact CD1-CB 4.27Å; I88-N96 HydrophobicContact CG1-CB 3.96Å; N96-D98 WeakPolarHBondContact OD1-CA 3.5Å; N96-D98 WeakPolarHBondContact OD1-CB 3.31Å; N96-D98 PolarHBondContact OD1-N 2.94Å; N96-D98 VanDerWaalsContact OD1-N 3.17Å; N96-D98 PolarHBondContact OD1-O 3.24Å; N96-D98 VanDerWaalsContact OD1-O 3.08Å; N96-D482 WeakPolarHBondContact CA-OD1 3.18Å; N96-D482 VanDerWaalsContact CG-OD1 3.28Å; N96-D482 VanDerWaalsContact ND2-CG 3.27Å; N96-D482 PolarHBondContact ND2-OD1 2.89Å
97	E	98.3	Very high	95.7	Very high	37 Å²	37	33.6 Å²	33.6	17%	0.173	18%	0.183	C	C	.	.			trans	-90.2	-15.6	-175.5	-60.8	-179.4	116.8	0	0	112	S93 L95 G139 G142 D482	S93-E97 WeakPolarHBondContact CB-OE2 3.42Å; S93-E97 PolarHBondContact OG-OE2 3.31Å; L95-E97 PolarHBondContact O-N 3.29Å; E97-G139 WeakPolarHBondContact CB-O 3.45Å; E97-G139 WeakPolarHBondContact O-CA 3.43Å; E97-G139 PolarHBondContact O-N 3.35Å; E97-G142 VanDerWaalsContact OE1-CA 3.23Å; E97-G142 WeakPolarHBondContact OE1-CA 3.41Å; E97-G142 PolarHBondContact OE1-N 2.75Å; E97-D482 PolarHBondContact N-OD2 3.37Å
98	D	98.6	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.			trans	-62.1	148.2	170.9	-69.5	1.8	0	0	0	112.4	N96 F137 T419 D482 T484	N96-D98 WeakPolarHBondContact OD1-CA 3.5Å; N96-D98 WeakPolarHBondContact OD1-CB 3.31Å; N96-D98 PolarHBondContact OD1-N 2.94Å; N96-D98 VanDerWaalsContact OD1-N 3.17Å; N96-D98 PolarHBondContact OD1-O 3.24Å; N96-D98 VanDerWaalsContact OD1-O 3.08Å; D98-F137 CarbonylContact C-O 3.49Å; D98-F137 VanDerWaalsContact CA-O 3.25Å; D98-F137 WeakPolarHBondContact CA-O 3.5Å; D98-T419 VanDerWaalsContact OD2-CG2 3.3Å; D98-T419 WeakPolarHBondContact OD2-CG2 3.45Å; D98-T419 PolarHBondContact OD2-OG1 3.45Å; D98-D482 HydrophobicContact CB-CB 4.32Å; D98-T484 WeakPolarHBondContact CB-OG1 3.2Å; D98-T484 WeakPolarHBondContact OD2-CB 3.39Å; D98-T484 PolarHBondContact OD2-N 3.43Å; D98-T484 PolarHBondContact OD2-OG1 3.31Å
99	Q	98.6	Very high	94.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.2	167	-72	-67.5	-59.8	0	0	111.1	G46 F137 A146 I147	G46-Q99 PolarHBondContact O-NE2 3.04Å; Q99-F137 HydrophobicContact CB-CB 4.24Å; Q99-F137 HydrophobicContact CB-CD2 4.35Å; Q99-F137 PolarHBondContact N-O 2.86Å; Q99-F137 PolarHBondContact O-N 3.43Å; Q99-A146 HydrophobicContact CB-CB 4.16Å; Q99-A146 HydrophobicContact CG-CB 3.97Å; Q99-I147 HydrophobicContact CG-CB 4.47Å; Q99-I147 HydrophobicContact CG-CG1 3.75Å
100	A	98.6	Very high	93.7	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158	174.7	0	0	0	0	0	111.1	P48 F50 Y84 G135 T484 F486	P48-A100 HydrophobicContact CB-CB 4.22Å; P48-A100 HydrophobicContact CG-CB 3.72Å; F50-A100 HydrophobicContact CE1-CB 4.23Å; F50-A100 HydrophobicContact CZ-CB 3.95Å; Y84-A100 HydrophobicContact CD2-CB 4.46Å; Y84-A100 HydrophobicContact CE2-CB 3.44Å; Y84-A100 VanDerWaalsContact CE2-CB 3.44Å; Y84-A100 WeakPolarHBondContact OH-CB 3.37Å; A100-G135 CarbonylContact C-O 3.56Å; A100-G135 WeakPolarHBondContact CA-O 3.44Å; A100-T484 HydrophobicContact CB-CG2 4.32Å; A100-F486 HydrophobicContact CB-CE2 3.77Å; A100-F486 HydrophobicContact CB-CZ 4.04Å
101	S	98	Very high	92.4	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	149.5	172.1	51	0	0	0	0	109.7	F133 W134 G135 S150	S101-F133 VanDerWaalsContact OG-CE1 3.26Å; S101-F133 WeakPolarHBondContact OG-CE1 3.34Å; S101-W134 WeakPolarHBondContact O-CA 3.44Å; S101-G135 PolarHBondContact N-O 2.88Å; S101-G135 PolarHBondContact O-N 3.2Å; S101-S150 WeakPolarHBondContact CB-O 3.47Å
102	C	97.6	Very high	90.8	Very high	10 Å²	10	49 Å²	49	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	104.6	-177	-173	0	0	0	0	108.2	F50 L78 P79 F133 W134 F486	F50-C102 HydrophobicContact CD1-CB 3.99Å; F50-C102 HydrophobicContact CE1-CB 3.95Å; L78-C102 HydrophobicContact CD1-CB 4.23Å; L78-C102 HydrophobicContact CD2-CB 4.14Å; P79-C102 VanDerWaalsContact CD-SG 3.5Å; C102-F133 CarbonylContact C-O 3.59Å; C102-F133 VanDerWaalsContact CA-O 3.28Å; C102-F133 WeakPolarHBondContact CA-O 3.42Å; C102-W134 PolarHBondContact SG-NE1 2.93Å; C102-F486 HydrophobicContact CB-CE1 4.23Å; C102-F486 HydrophobicContact CB-CZ 4.2Å
103	E	95.7	Very high	89	Confident	64 Å²	64	51.5 Å²	51.5	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.5	-165	-58.3	-63.4	156.6	0	0	111.3	L105 H132 F133	E103-L105 HydrophobicContact CB-CD1 4.29Å; E103-L105 HydrophobicContact CB-CD2 4.32Å; E103-L105 HydrophobicContact CB-CG 4.04Å; E103-H132 WeakPolarHBondContact O-CA 3.29Å; E103-F133 HydrophobicContact CB-CB 4.34Å; E103-F133 PolarHBondContact N-O 3.05Å; E103-F133 PolarHBondContact O-N 3.18Å
104	K	94.4	Very high	87	Confident	86 Å²	86	53.6 Å²	53.6	37%	0.374	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.7	162.7	-178.8	175.4	-173.3	165.4	0	108	P79 H132 E496	P79-K104 HydrophobicContact CG-CB 4.41Å; K104-H132 WeakPolarHBondContact CD-NE2 3.45Å; K104-H132 WeakPolarHBondContact CE-NE2 3.48Å; K104-E496 PolarHBondContact NZ-O 3.12Å
105	L	93.5	Very high	84.9	Confident	7 Å²	7	56 Å²	56	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	169.5	-177.1	-56.5	168.4	0	0	0	109.4	E103 L131 H154 R158	E103-L105 HydrophobicContact CB-CD1 4.29Å; E103-L105 HydrophobicContact CB-CD2 4.32Å; E103-L105 HydrophobicContact CB-CG 4.04Å; L105-L131 HydrophobicContact CB-CB 4.36Å; L105-L131 HydrophobicContact CB-CD2 4.15Å; L105-L131 HydrophobicContact CD1-CD2 4.03Å; L105-L131 PolarHBondContact N-O 3.16Å; L105-L131 PolarHBondContact O-N 3.01Å; L105-H154 HydrophobicContact CD1-CB 3.92Å; L105-R158 HydrophobicContact CB-CG 4.35Å; L105-R158 HydrophobicContact CD1-CB 4.19Å
106	F	93.1	Very high	82.4	Confident	27 Å²	27	61.1 Å²	61.1	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.8	173.6	-64.7	-92.9	0	0	0	110.5	R108 N126 T127 I129 P130	F106-R108 VanDerWaalsContact CB-NH2 3.33Å; F106-N126 HydrophobicContact CE1-CB 4.46Å; F106-N126 WeakPolarHBondContact CE1-O 3.36Å; F106-N126 HydrophobicContact CE2-CB 3.85Å; F106-N126 WeakPolarHBondContact CE2-OD1 3.37Å; F106-N126 HydrophobicContact CZ-CB 3.74Å; F106-T127 VanDerWaalsContact CB-O 3.24Å; F106-T127 WeakPolarHBondContact CB-O 3.4Å; F106-I129 CarbonylContact C-O 2.97Å; F106-I129 WeakPolarHBondContact CA-O 3.36Å; F106-P130 HydrophobicContact CD1-CB 4.42Å; F106-P130 HydrophobicContact CE1-CB 4.24Å
107	V	92.8	Very high	80.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.7	174.7	-178.4	0	0	0	0	109.1	I129 L131 L161 C165 L168	V107-I129 HydrophobicContact CB-CB 4.32Å; V107-I129 PolarHBondContact N-O 3.46Å; V107-I129 PolarHBondContact O-N 2.92Å; V107-L131 HydrophobicContact CG2-CB 4.11Å; V107-L131 HydrophobicContact CG2-CD1 4.17Å; V107-L161 HydrophobicContact CB-CB 4.5Å; V107-L161 VanDerWaalsContact CG1-C 3.46Å; V107-L161 HydrophobicContact CG1-CB 3.74Å; V107-L161 WeakPolarHBondContact CG1-O 3.39Å; V107-L161 HydrophobicContact CG2-CB 3.87Å; V107-L161 HydrophobicContact CG2-CD1 4.07Å; V107-C165 HydrophobicContact CG1-CB 4.22Å; V107-L168 HydrophobicContact CG1-CD1 3.93Å
108	R	89.6	Confident	77.9	Confident	73 Å²	73	67.5 Å²	67.5	28%	0.275	34%	0.343	S	S	.	.			trans	-139.2	157.1	-179	-61.5	-179.8	-176.9	115.6	34.6	111	F106 D122 D125 T127 G162	F106-R108 VanDerWaalsContact CB-NH2 3.33Å; R108-D122 IonicContact NH1-OD1 3.79Å; R108-D125 VanDerWaalsContact CZ-O 3.24Å; R108-D125 PolarHBondContact NH2-O 2.75Å; R108-T127 PolarHBondContact NE-O 2.76Å; R108-T127 PolarHBondContact NE-OG1 3.44Å; R108-T127 VanDerWaalsContact NE-OG1 3.14Å; R108-T127 PolarHBondContact NH2-O 3.39Å; R108-G162 WeakPolarHBondContact O-CA 3.24Å
109	K	85.3	Confident	76	Confident	115 Å²	115	68.8 Å²	68.8	50%	0.5	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-60	139	169	-68.8	173.7	-172.2	160.3	0	110.2	S111 C165 E169	K109-S111 PolarHBondContact O-N 3.3Å; K109-C165 HydrophobicContact CG-CB 3.97Å; K109-E169 VanDerWaalsContact CE-OE2 3.22Å; K109-E169 WeakPolarHBondContact CE-OE2 3.38Å; K109-E169 IonicContact NZ-OE1 3.58Å; K109-E169 IonicContact NZ-OE2 2.71Å; K109-E169 PolarHBondContact NZ-OE2 3.31Å
110	P	76	Confident	74.1	Confident	63 Å²	63	71.1 Å²	71.1	41%	0.409	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.7	179.6	-15.6	27.1	0	0	0	110.4	G162 E163	P110-G162 WeakPolarHBondContact CD-O 3.44Å; P110-E163 VanDerWaalsContact CG-CD 3.41Å; P110-E163 HydrophobicContact CG-CG 4.4Å; P110-E163 WeakPolarHBondContact CG-OE1 3.34Å
111	S	67.3	Low	72.1	Confident	58 Å²	58	76 Å²	76	41%	0.406	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-73.7	136.1	172.4	174.4	0	0	0	0	110.2	K109 K113 H114	K109-S111 PolarHBondContact O-N 3.3Å; S111-K113 PolarHBondContact O-N 3.37Å; S111-K113 PolarHBondContact OG-N 2.82Å; S111-H114 PolarHBondContact O-N 2.83Å
112	S	58.8	Low	70.2	Confident	109 Å²	109	79.3 Å²	79.3	76%	0.762	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-18.7	176.3	51.8	0	0	0	0	114.3
113	K	53.8	Low	68.2	Low	184 Å²	184	85.2 Å²	85.2	80%	0.8	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.7	-179.9	-67.8	-175.3	178.7	179.2	0	114.4	S111	S111-K113 PolarHBondContact O-N 3.37Å; S111-K113 PolarHBondContact OG-N 2.82Å
114	H	51.4	Low	66.6	Low	66 Å²	66	84.6 Å²	84.6	31%	0.306	45%	0.449	S	S	.	.			trans	-109.8	9.6	-172.8	-71.1	-58	0	0	0	115.4	S111 N116 S117	S111-H114 PolarHBondContact O-N 2.83Å; H114-N116 PolarHBondContact O-N 2.69Å; H114-S117 PolarHBondContact O-N 2.95Å; H114-S117 VanDerWaalsContact O-N 3.15Å
115	R	49	Very low	65.2	Low	205 Å²	205	85 Å²	85	77%	0.774	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.4	-179.6	-84.2	-174.7	169.3	-173.5	-3.6	115.5
116	N	42.6	Very low	64.4	Low	171 Å²	171	90.6 Å²	90.6	91%	0.914	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-1.5	-178	-69.7	-2.4	0	0	0	114.7	H114	H114-N116 PolarHBondContact O-N 2.69Å
117	S	48.4	Very low	63.9	Low	64 Å²	64	92.4 Å²	92.4	45%	0.448	50%	0.498	S	S	.	.	S	Bend	trans	-91.9	135.4	172.3	-176.2	0	0	0	0	109	H114 L119	H114-S117 PolarHBondContact O-N 2.95Å; H114-S117 VanDerWaalsContact O-N 3.15Å; S117-L119 PolarHBondContact O-N 3.42Å; S117-L119 PolarHBondContact OG-O 2.85Å
118	T	52.7	Low	63.7	Low	106 Å²	106	94.9 Å²	94.9	65%	0.65	52%	0.524	S	S	*	.	S	Bend	trans	-64.7	-21.1	179.6	-2.8	0	0	0	0	113.1
119	L	58.5	Low	63.9	Low	28 Å²	28	92.7 Å²	92.7	15%	0.147	52%	0.518	C	S	.	.	S	Bend	trans	-142.9	141.5	178.3	-62.8	171	0	0	0	109.7	S117 L152 R155 I156	S117-L119 PolarHBondContact O-N 3.42Å; S117-L119 PolarHBondContact OG-O 2.85Å; L119-L152 HydrophobicContact CD1-CD1 4.42Å; L119-L152 HydrophobicContact CD1-CD2 3.49Å; L119-L152 VanDerWaalsContact CD1-CD2 3.49Å; L119-L152 HydrophobicContact CD1-CG 4.4Å; L119-R155 HydrophobicContact CD2-CB 4.05Å; L119-I156 HydrophobicContact CD2-CG1 3.86Å
120	V	58.2	Low	64.3	Low	50 Å²	50	88.7 Å²	88.7	30%	0.303	50%	0.503	S	S	.	.			trans	-79.4	128.6	174.7	-176.3	0	0	0	0	109.9	R158 D159	V120-R158 PolarHBondContact O-NH2 3.29Å; V120-D159 PolarHBondContact N-OD2 2.84Å
121	D	57	Low	65.2	Low	106 Å²	106	85.7 Å²	85.7	57%	0.567	48%	0.484	S	S	*	.			trans	-68.4	132	174.5	-78.8	-33.4	0	0	0	110.7	N123	D121-N123 PolarHBondContact O-N 3.47Å
122	D	58.8	Low	66.6	Low	73 Å²	73	82.9 Å²	82.9	39%	0.39	46%	0.464	S	S	.	.			trans	-81.8	97.7	175.3	-158.4	-2.8	0	0	0	108.8	R108 G124	R108-D122 IonicContact NH1-OD1 3.79Å; D122-G124 PolarHBondContact O-N 2.81Å
123	N	56.5	Low	68.5	Low	134 Å²	134	77.7 Å²	77.7	72%	0.717	43%	0.428	S	S	*	.			trans	-68.8	6.5	179.4	-74.8	-22.1	0	0	0	113.2	D121 D125	D121-N123 PolarHBondContact O-N 3.47Å; N123-D125 PolarHBondContact O-N 3.06Å
124	G	60	Low	70.7	Confident	52 Å²	52	69 Å²	69	54%	0.536	39%	0.39	S	S	.	.			trans	66.9	5.9	177.2	0	0	0	0	0	114.8	D122 N126	D122-G124 PolarHBondContact O-N 2.81Å; G124-N126 PolarHBondContact O-N 3.24Å
125	D	66	Low	72.9	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	38%	0.375	S	S	.	.			trans	-70.4	119.6	168.7	-172.8	23.6	0	0	0	106.7	R108 N123 T127	R108-D125 VanDerWaalsContact CZ-O 3.24Å; R108-D125 PolarHBondContact NH2-O 2.75Å; N123-D125 PolarHBondContact O-N 3.06Å; D125-T127 PolarHBondContact O-N 2.79Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.34Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.48Å; D125-T127 PolarHBondContact OD2-OG1 3.08Å
126	N	76.9	Confident	75.3	Confident	124 Å²	124	56 Å²	56	66%	0.663	34%	0.339	S	S	*	.			trans	-82.2	42	-172.7	-73.5	-27.2	0	0	0	112.6	F106 G124	F106-N126 HydrophobicContact CE1-CB 4.46Å; F106-N126 WeakPolarHBondContact CE1-O 3.36Å; F106-N126 HydrophobicContact CE2-CB 3.85Å; F106-N126 WeakPolarHBondContact CE2-OD1 3.37Å; F106-N126 HydrophobicContact CZ-CB 3.74Å; G124-N126 PolarHBondContact O-N 3.24Å
127	T	82	Confident	78	Confident	64 Å²	64	47.9 Å²	47.9	39%	0.393	30%	0.295	S	S	.	.			trans	-99.9	144.5	-172.6	53	0	0	0	0	111.9	F106 R108 D125	F106-T127 VanDerWaalsContact CB-O 3.24Å; F106-T127 WeakPolarHBondContact CB-O 3.4Å; R108-T127 PolarHBondContact NE-O 2.76Å; R108-T127 PolarHBondContact NE-OG1 3.44Å; R108-T127 VanDerWaalsContact NE-OG1 3.14Å; R108-T127 PolarHBondContact NH2-O 3.39Å; D125-T127 PolarHBondContact O-N 2.79Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.34Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.48Å; D125-T127 PolarHBondContact OD2-OG1 3.08Å
128	G	89.8	Confident	80.4	Confident	52 Å²	52	45.5 Å²	45.5	54%	0.536	28%	0.277	S	S	.	.	S	Bend	trans	109.2	-167.8	177.4	0	0	0	0	0	114
129	I	93.1	Very high	82.6	Confident	28 Å²	28	40.6 Å²	40.6	14%	0.144	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.8	-176.1	-57.8	173.7	0	0	0	108.9	F106 V107 L168 E169 L260 M261	F106-I129 CarbonylContact C-O 2.97Å; F106-I129 WeakPolarHBondContact CA-O 3.36Å; V107-I129 HydrophobicContact CB-CB 4.32Å; V107-I129 PolarHBondContact N-O 3.46Å; V107-I129 PolarHBondContact O-N 2.92Å; I129-L168 HydrophobicContact CD1-CB 3.4Å; I129-L168 VanDerWaalsContact CD1-CB 3.4Å; I129-L168 HydrophobicContact CD1-CD1 4.36Å; I129-E169 HydrophobicContact CD1-CG 4.21Å; I129-L260 HydrophobicContact CG2-CD1 3.79Å; I129-M261 HydrophobicContact CG2-CG 4.18Å
130	P	93.8	Very high	84.4	Confident	30 Å²	30	41.3 Å²	41.3	20%	0.195	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	137.9	-178.7	27.3	-34.1	0	0	0	111.4	F106	F106-P130 HydrophobicContact CD1-CB 4.42Å; F106-P130 HydrophobicContact CE1-CB 4.24Å
131	L	95.2	Very high	86.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122	177.3	-176.6	98.2	0	0	0	107.9	L105 V107 R158 L161 V258 L260	L105-L131 HydrophobicContact CB-CB 4.36Å; L105-L131 HydrophobicContact CB-CD2 4.15Å; L105-L131 HydrophobicContact CD1-CD2 4.03Å; L105-L131 PolarHBondContact N-O 3.16Å; L105-L131 PolarHBondContact O-N 3.01Å; V107-L131 HydrophobicContact CG2-CB 4.11Å; V107-L131 HydrophobicContact CG2-CD1 4.17Å; L131-R158 HydrophobicContact CD2-CB 4.29Å; L131-L161 HydrophobicContact CD1-CD1 3.37Å; L131-V258 HydrophobicContact CD1-CG1 3.42Å; L131-V258 VanDerWaalsContact CD1-CG1 3.42Å; L131-V258 HydrophobicContact CG-CG1 4.05Å; L131-L260 HydrophobicContact CD1-CB 4.12Å; L131-L260 HydrophobicContact CD1-CD1 3.94Å; L131-L260 HydrophobicContact CD1-CG 4.41Å
132	H	97.2	Very high	88.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.8	171.4	-56	89.3	0	0	0	109.5	W80 E103 K104 W134 V258 Y259	W80-H132 AromaticContact NE1-CD2 3.95Å; W80-H132 AromaticContact NE1-CE1 3.61Å; W80-H132 AromaticContact NE1-CG 3.82Å; W80-H132 AromaticContact NE1-ND1 3.6Å; W80-H132 AromaticContact NE1-NE2 3.84Å; E103-H132 WeakPolarHBondContact O-CA 3.29Å; K104-H132 WeakPolarHBondContact CD-NE2 3.45Å; K104-H132 WeakPolarHBondContact CE-NE2 3.48Å; H132-W134 HydrophobicContact CB-CE3 4.4Å; H132-W134 HydrophobicContact CB-CH2 3.35Å; H132-W134 HydrophobicContact CB-CZ2 4.17Å; H132-W134 HydrophobicContact CB-CZ3 3.49Å; H132-W134 VanDerWaalsContact CB-CZ3 3.49Å; H132-V258 CarbonylContact O-C 3.49Å; H132-V258 WeakPolarHBondContact O-CA 3.37Å; H132-Y259 PolarHBondContact N-O 3.22Å; H132-Y259 VanDerWaalsContact N-O 3.16Å; H132-Y259 AromaticContact ND1-CD1 3.66Å; H132-Y259 PolarHBondContact O-N 3.02Å
133	F	98.6	Very high	89.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.6	-176.2	179.7	-83.6	0	0	0	110	S101 C102 E103 F137 L153 H154 I157 A256 V257 V258	S101-F133 VanDerWaalsContact OG-CE1 3.26Å; S101-F133 WeakPolarHBondContact OG-CE1 3.34Å; C102-F133 CarbonylContact C-O 3.59Å; C102-F133 VanDerWaalsContact CA-O 3.28Å; C102-F133 WeakPolarHBondContact CA-O 3.42Å; E103-F133 HydrophobicContact CB-CB 4.34Å; E103-F133 PolarHBondContact N-O 3.05Å; E103-F133 PolarHBondContact O-N 3.18Å; F133-F137 HydrophobicContact CZ-CZ 4.41Å; F133-L153 HydrophobicContact CZ-CD2 4.42Å; F133-H154 HydrophobicContact CB-CB 4.13Å; F133-H154 HydrophobicContact CD1-CB 3.59Å; F133-H154 HydrophobicContact CD2-CB 3.71Å; F133-H154 HydrophobicContact CE1-CB 3.88Å; F133-H154 HydrophobicContact CE2-CB 4Å; F133-H154 HydrophobicContact CG-CB 3.52Å; F133-H154 HydrophobicContact CZ-CB 4.09Å; F133-I157 HydrophobicContact CD2-CD1 4.32Å; F133-I157 HydrophobicContact CE2-CD1 3.75Å; F133-A256 HydrophobicContact CE2-CB 3.67Å; F133-A256 HydrophobicContact CZ-CB 3.77Å; F133-V257 WeakPolarHBondContact CA-O 3.33Å; F133-V258 HydrophobicContact CD2-CG2 3.95Å; F133-V258 HydrophobicContact CE2-CG2 4.33Å
134	W	98.8	Very high	91.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.4	166.5	-60.1	-100.6	0	0	0	108.5	P79 W80 S101 C102 H132 A256 V257 M417 I488	P79-W134 HydrophobicContact CB-CZ2 3.87Å; W80-W134 HydrophobicContact CB-CZ2 4.23Å; W80-W134 AromaticContact CD2-CH2 3.68Å; W80-W134 HydrophobicContact CD2-CH2 3.68Å; W80-W134 HydrophobicContact CD2-CZ2 4.03Å; W80-W134 AromaticContact CE2-CH2 3.9Å; W80-W134 AromaticContact CE3-CH2 3.88Å; W80-W134 HydrophobicContact CE3-CH2 3.88Å; W80-W134 HydrophobicContact CE3-CZ2 4.3Å; W80-W134 HydrophobicContact CG-CH2 4.06Å; W80-W134 AromaticContact CG-CZ2 3.99Å; W80-W134 HydrophobicContact CG-CZ2 3.99Å; W80-W134 HydrophobicContact CZ2-CH2 4.33Å; W80-W134 HydrophobicContact CZ3-CH2 4.32Å; S101-W134 WeakPolarHBondContact O-CA 3.44Å; C102-W134 PolarHBondContact SG-NE1 2.93Å; H132-W134 HydrophobicContact CB-CE3 4.4Å; H132-W134 HydrophobicContact CB-CH2 3.35Å; H132-W134 HydrophobicContact CB-CZ2 4.17Å; H132-W134 HydrophobicContact CB-CZ3 3.49Å; H132-W134 VanDerWaalsContact CB-CZ3 3.49Å; W134-A256 CarbonylContact O-C 3.58Å; W134-A256 WeakPolarHBondContact O-CA 3.44Å; W134-V257 HydrophobicContact CB-CB 4.43Å; W134-V257 HydrophobicContact CE3-CB 4.39Å; W134-V257 HydrophobicContact CE3-CG1 4.1Å; W134-V257 PolarHBondContact N-O 3.37Å; W134-V257 PolarHBondContact O-N 2.86Å; W134-M417 HydrophobicContact CB-CE 4.48Å; W134-M417 HydrophobicContact CB-SD 3.94Å; W134-I488 HydrophobicContact CB-CD1 3.76Å; W134-I488 HydrophobicContact CD2-CD1 3.59Å; W134-I488 HydrophobicContact CD2-CG1 4.41Å; W134-I488 HydrophobicContact CE3-CD1 4.15Å; W134-I488 HydrophobicContact CG-CD1 3.39Å; W134-I488 HydrophobicContact CG-CG1 4.23Å; W134-I488 HydrophobicContact CH2-CG2 4.33Å; W134-I488 HydrophobicContact CZ2-CG2 3.98Å
135	G	98.7	Very high	93.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.4	-180	0	0	0	0	0	111.4	A100 S101 L255	A100-G135 CarbonylContact C-O 3.56Å; A100-G135 WeakPolarHBondContact CA-O 3.44Å; S101-G135 PolarHBondContact N-O 2.88Å; S101-G135 PolarHBondContact O-N 3.2Å; G135-L255 CarbonylContact C-O 3.59Å; G135-L255 VanDerWaalsContact CA-O 3.32Å; G135-L255 WeakPolarHBondContact CA-O 3.42Å
136	V	98.8	Very high	95.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.4	168.5	176.8	0	0	0	0	107.8	L255 M417 T419 T484 F486	V136-L255 PolarHBondContact N-O 2.59Å; V136-L255 PolarHBondContact O-N 2.85Å; V136-M417 HydrophobicContact CG2-CB 4.34Å; V136-M417 HydrophobicContact CG2-CE 4.25Å; V136-T419 HydrophobicContact CG1-CG2 3.33Å; V136-T484 HydrophobicContact CG1-CG2 3.93Å; V136-T484 HydrophobicContact CG2-CG2 4.11Å; V136-F486 HydrophobicContact CG2-CD2 3.53Å; V136-F486 HydrophobicContact CG2-CE2 3.81Å
137	F	98.9	Very high	96.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	107.8	-176.7	-51.8	-86.2	0	0	0	109.1	D98 Q99 F133 G139 A146 A149 S150 L153 C253 A254	D98-F137 CarbonylContact C-O 3.49Å; D98-F137 VanDerWaalsContact CA-O 3.25Å; D98-F137 WeakPolarHBondContact CA-O 3.5Å; Q99-F137 HydrophobicContact CB-CB 4.24Å; Q99-F137 HydrophobicContact CB-CD2 4.35Å; Q99-F137 PolarHBondContact N-O 2.86Å; Q99-F137 PolarHBondContact O-N 3.43Å; F133-F137 HydrophobicContact CZ-CZ 4.41Å; F137-G139 PolarHBondContact O-N 3.15Å; F137-A146 HydrophobicContact CB-CB 3.95Å; F137-A149 HydrophobicContact CD1-CB 3.59Å; F137-A149 HydrophobicContact CE1-CB 3.62Å; F137-A149 HydrophobicContact CG-CB 4.23Å; F137-A149 HydrophobicContact CZ-CB 4.28Å; F137-S150 VanDerWaalsContact CE2-CA 3.42Å; F137-L153 HydrophobicContact CE1-CD2 3.71Å; F137-L153 HydrophobicContact CZ-CB 4.45Å; F137-L153 HydrophobicContact CZ-CD2 4.02Å; F137-C253 VanDerWaalsContact CA-O 3.23Å; F137-C253 WeakPolarHBondContact CA-O 3.47Å; F137-A254 HydrophobicContact CD1-CB 3.78Å; F137-A254 HydrophobicContact CE1-CB 3.96Å
138	D	98.8	Very high	97	Very high	13 Å²	13	14.3 Å²	14.3	7%	0.07	11%	0.108	C	C	.	.			trans	-85.5	104.8	179.3	-163.3	-33.3	0	0	0	108.7	C252 C253 T419 D420	D138-C252 CarbonylContact O-C 3.51Å; D138-C252 WeakPolarHBondContact O-CA 3.19Å; D138-C252 WeakPolarHBondContact O-CB 3.34Å; D138-C253 HydrophobicContact CB-CB 3.84Å; D138-C253 PolarHBondContact N-O 3.49Å; D138-C253 PolarHBondContact O-N 3.34Å; D138-T419 HydrophobicContact CB-CG2 3.61Å; D138-T419 WeakPolarHBondContact OD2-CB 3.41Å; D138-D420 PolarHBondContact OD2-N 2.87Å
139	G	98.4	Very high	97.4	Very high	3 Å²	3	11.9 Å²	11.9	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	145.4	-175	0	0	0	0	0	112.3	E97 F137	E97-G139 WeakPolarHBondContact CB-O 3.45Å; E97-G139 WeakPolarHBondContact O-CA 3.43Å; E97-G139 PolarHBondContact O-N 3.35Å; F137-G139 PolarHBondContact O-N 3.15Å
140	H	97.6	Very high	97.7	Very high	44 Å²	44	10.7 Å²	10.7	20%	0.204	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.6	174.3	57.2	-102.1	0	0	0	112.6	G142 G250 G251 D377	H140-G142 PolarHBondContact O-N 3.22Å; H140-G250 WeakPolarHBondContact O-CA 3.46Å; H140-G251 VanDerWaalsContact CE1-C 3.49Å; H140-G251 PolarHBondContact N-O 2.92Å; H140-G251 PolarHBondContact O-N 3.36Å; H140-G251 VanDerWaalsContact O-N 3.13Å; H140-D377 IonicContact CD2-OD1 2.9Å; H140-D377 IonicContact CD2-OD2 3.29Å; H140-D377 IonicContact CE1-OD2 3.24Å; H140-D377 PolarHBondContact CE1-OD2 2.83Å; H140-D377 VanDerWaalsContact NE2-CG 3.34Å; H140-D377 IonicContact NE2-OD1 3.36Å; H140-D377 PolarHBondContact NE2-OD1 2.96Å; H140-D377 IonicContact NE2-OD2 2.7Å; H140-D377 PolarHBondContact NE2-OD2 2.88Å
141	A	95.9	Very high	97.9	Very high	80 Å²	80	11.2 Å²	11.2	66%	0.661	8%	0.076	S	C	*	.	S	Bend	trans	56.2	36.1	-175.9	0	0	0	0	0	112.9	G250	A141-G250 WeakPolarHBondContact O-CA 3.5Å; A141-G250 PolarHBondContact O-N 3.29Å
142	G	95.6	Very high	98	Very high	15 Å²	15	11.4 Å²	11.4	16%	0.155	8%	0.077	C	C	.	.	S	Bend	trans	118.9	152.1	-174.2	0	0	0	0	0	112.5	E97 H140	E97-G142 VanDerWaalsContact OE1-CA 3.23Å; E97-G142 WeakPolarHBondContact OE1-CA 3.41Å; E97-G142 PolarHBondContact OE1-N 2.75Å; H140-G142 PolarHBondContact O-N 3.22Å
143	S	96.7	Very high	98.1	Very high	14 Å²	14	11.4 Å²	11.4	10%	0.098	8%	0.077	C	C	.	.	S	Bend	trans	-90.4	0.9	179.5	52.1	0	0	0	0	114.4	Y45 A145 A146 I147	Y45-S143 WeakPolarHBondContact CD2-OG 3.45Å; S143-A145 PolarHBondContact O-N 3.46Å; S143-A146 PolarHBondContact O-N 3.06Å; S143-I147 WeakPolarHBondContact O-CB 3.47Å; S143-I147 VanDerWaalsContact O-CG1 3.26Å; S143-I147 WeakPolarHBondContact O-CG1 3.4Å; S143-I147 PolarHBondContact O-N 2.8Å
144	G	97.5	Very high	98.1	Very high	13 Å²	13	11.6 Å²	11.6	13%	0.134	8%	0.078	C	C	.	.	H	α-helix	trans	-59.6	-48.5	-171.1	0	0	0	0	0	113.5	M148 S249	G144-M148 WeakPolarHBondContact O-CB 3.37Å; G144-M148 PolarHBondContact O-N 2.94Å; G144-S249 WeakPolarHBondContact CA-O 3.18Å; G144-S249 PolarHBondContact N-O 2.85Å; G144-S249 PolarHBondContact N-OG 2.92Å
145	A	98.2	Very high	98	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-46	177	0	0	0	0	0	112.2	S143 I147 M148 A149 I239 S249	S143-A145 PolarHBondContact O-N 3.46Å; A145-I147 PolarHBondContact O-N 2.93Å; A145-M148 PolarHBondContact O-N 3.12Å; A145-A149 WeakPolarHBondContact O-CB 3.5Å; A145-A149 PolarHBondContact O-N 3.25Å; A145-I239 HydrophobicContact CB-CD1 4.45Å; A145-S249 PolarHBondContact N-O 3.28Å
146	A	98.7	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-43.7	179	0	0	0	0	0	112.4	Q99 F137 S143 A149 S150 C252	Q99-A146 HydrophobicContact CB-CB 4.16Å; Q99-A146 HydrophobicContact CG-CB 3.97Å; F137-A146 HydrophobicContact CB-CB 3.95Å; S143-A146 PolarHBondContact O-N 3.06Å; A146-A149 PolarHBondContact O-N 2.93Å; A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 2.9Å; A146-C252 HydrophobicContact CB-CB 3.82Å
147	I	98.5	Very high	97.9	Very high	8 Å²	8	16.9 Å²	16.9	4%	0.041	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-47.1	175.7	-69.6	165.6	0	0	0	110.3	F43 Y45 Q99 S143 A145 A149 S150 K151	F43-I147 HydrophobicContact CB-CG2 3.62Å; F43-I147 HydrophobicContact CD2-CG2 4.39Å; F43-I147 HydrophobicContact CG-CG2 4.32Å; Y45-I147 HydrophobicContact CD2-CD1 3.98Å; Q99-I147 HydrophobicContact CG-CB 4.47Å; Q99-I147 HydrophobicContact CG-CG1 3.75Å; S143-I147 WeakPolarHBondContact O-CB 3.47Å; S143-I147 VanDerWaalsContact O-CG1 3.26Å; S143-I147 WeakPolarHBondContact O-CG1 3.4Å; S143-I147 PolarHBondContact O-N 2.8Å; A145-I147 PolarHBondContact O-N 2.93Å; I147-A149 VanDerWaalsContact C-N 3.33Å; I147-A149 PolarHBondContact O-N 3.32Å; I147-S150 PolarHBondContact O-N 3.15Å; I147-S150 PolarHBondContact O-OG 3.23Å; I147-K151 WeakPolarHBondContact O-CG 3.31Å; I147-K151 PolarHBondContact O-N 3.48Å; I147-K151 VanDerWaalsContact O-N 3.15Å
148	M	98.3	Very high	97.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-42.2	-178.6	-161.1	-175.6	173.4	0	0	111.6	F43 G144 A145 K151 L152 M235 L238 I239 E242 I248	F43-M148 HydrophobicContact CD2-CG 4.35Å; F43-M148 HydrophobicContact CE2-CG 4.04Å; G144-M148 WeakPolarHBondContact O-CB 3.37Å; G144-M148 PolarHBondContact O-N 2.94Å; A145-M148 PolarHBondContact O-N 3.12Å; M148-K151 PolarHBondContact O-N 3.21Å; M148-L152 HydrophobicContact CE-CD1 3.86Å; M148-L152 HydrophobicContact CG-CD1 4.02Å; M148-L152 WeakPolarHBondContact O-CB 3.37Å; M148-L152 WeakPolarHBondContact O-CG 3.36Å; M148-L152 PolarHBondContact O-N 3.39Å; M148-L152 VanDerWaalsContact O-N 3.15Å; M148-M235 HydrophobicContact CB-CE 4.18Å; M148-M235 HydrophobicContact CE-CE 4.09Å; M148-M235 HydrophobicContact CG-CE 3.68Å; M148-M235 HydrophobicContact SD-CE 3.98Å; M148-L238 HydrophobicContact CE-CB 4.5Å; M148-L238 HydrophobicContact CE-CD2 3.84Å; M148-L238 HydrophobicContact CE-CG 3.61Å; M148-I239 HydrophobicContact CG-CG1 4.49Å; M148-I239 HydrophobicContact SD-CB 4.33Å; M148-I239 HydrophobicContact SD-CG1 3.56Å; M148-I239 VanDerWaalsContact SD-CG1 3.56Å; M148-E242 HydrophobicContact CE-CB 4.07Å; M148-E242 HydrophobicContact CE-CG 4.11Å; M148-E242 WeakPolarHBondContact CE-OE2 3.33Å; M148-I248 HydrophobicContact CE-CD1 4.41Å; M148-I248 HydrophobicContact SD-CD1 3.58Å; M148-I248 VanDerWaalsContact SD-CD1 3.58Å; M148-I248 HydrophobicContact SD-CG1 4.43Å
149	A	98.6	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-43.4	176.8	0	0	0	0	0	112.1	F137 A145 A146 I147 K151 L152 L153 L375	F137-A149 HydrophobicContact CD1-CB 3.59Å; F137-A149 HydrophobicContact CE1-CB 3.62Å; F137-A149 HydrophobicContact CG-CB 4.23Å; F137-A149 HydrophobicContact CZ-CB 4.28Å; A145-A149 WeakPolarHBondContact O-CB 3.5Å; A145-A149 PolarHBondContact O-N 3.25Å; A146-A149 PolarHBondContact O-N 2.93Å; I147-A149 VanDerWaalsContact C-N 3.33Å; I147-A149 PolarHBondContact O-N 3.32Å; A149-K151 VanDerWaalsContact C-N 3.27Å; A149-K151 PolarHBondContact O-N 2.79Å; A149-L152 PolarHBondContact O-N 3.16Å; A149-L153 VanDerWaalsContact O-CB 3.24Å; A149-L153 WeakPolarHBondContact O-CB 3.46Å; A149-L153 PolarHBondContact O-N 2.83Å; A149-L375 HydrophobicContact CB-CD1 3.69Å
150	S	98.6	Very high	97.5	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-32.8	178.8	77.8	0	0	0	0	113	S101 F137 A146 I147 H154	S101-S150 WeakPolarHBondContact CB-O 3.47Å; F137-S150 VanDerWaalsContact CE2-CA 3.42Å; A146-S150 WeakPolarHBondContact O-CB 3.38Å; A146-S150 PolarHBondContact O-N 2.9Å; I147-S150 PolarHBondContact O-N 3.15Å; I147-S150 PolarHBondContact O-OG 3.23Å; S150-H154 PolarHBondContact O-CE1 3Å; S150-H154 VanDerWaalsContact O-CE1 3.31Å; S150-H154 PolarHBondContact O-ND1 3.4Å
151	K	97.9	Very high	97.4	Very high	40 Å²	40	17.2 Å²	17.2	17%	0.174	11%	0.106	C	C	.	.	H	α-helix	trans	-78.8	-29.6	177.2	-62.9	-54	179.7	-154.3	0	114.4	F43 D49 I147 M148 A149 H154 R155	F43-K151 HydrophobicContact CD1-CG 4.24Å; F43-K151 HydrophobicContact CD2-CB 4.48Å; F43-K151 HydrophobicContact CD2-CG 4.21Å; F43-K151 HydrophobicContact CE1-CB 4.37Å; F43-K151 HydrophobicContact CE1-CG 4.26Å; F43-K151 HydrophobicContact CE2-CB 4.04Å; F43-K151 HydrophobicContact CE2-CG 4.24Å; F43-K151 HydrophobicContact CG-CG 4.21Å; F43-K151 HydrophobicContact CZ-CB 3.98Å; F43-K151 HydrophobicContact CZ-CG 4.27Å; D49-K151 IonicContact OD1-NZ 2.64Å; D49-K151 PolarHBondContact OD1-NZ 3.34Å; D49-K151 IonicContact OD2-NZ 2.92Å; D49-K151 PolarHBondContact OD2-NZ 2.86Å; I147-K151 WeakPolarHBondContact O-CG 3.31Å; I147-K151 PolarHBondContact O-N 3.48Å; I147-K151 VanDerWaalsContact O-N 3.15Å; M148-K151 PolarHBondContact O-N 3.21Å; A149-K151 VanDerWaalsContact C-N 3.27Å; A149-K151 PolarHBondContact O-N 2.79Å; K151-H154 VanDerWaalsContact C-CE1 3.49Å; K151-H154 PolarHBondContact O-CE1 2.97Å; K151-H154 PolarHBondContact O-NE2 3.23Å; K151-R155 PolarHBondContact O-NE 2.88Å
152	L	98.1	Very high	97.3	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-122.1	-30.3	-162	-58.4	-173	0	0	0	115	F43 L119 M148 A149 H154 R155 I156 M235 L238	F43-L152 HydrophobicContact CE2-CD1 4.12Å; F43-L152 HydrophobicContact CE2-CG 4.21Å; F43-L152 HydrophobicContact CZ-CD1 4.3Å; F43-L152 HydrophobicContact CZ-CD2 4.03Å; F43-L152 HydrophobicContact CZ-CG 4.22Å; L119-L152 HydrophobicContact CD1-CD1 4.42Å; L119-L152 HydrophobicContact CD1-CD2 3.49Å; L119-L152 VanDerWaalsContact CD1-CD2 3.49Å; L119-L152 HydrophobicContact CD1-CG 4.4Å; M148-L152 HydrophobicContact CE-CD1 3.86Å; M148-L152 HydrophobicContact CG-CD1 4.02Å; M148-L152 WeakPolarHBondContact O-CB 3.37Å; M148-L152 WeakPolarHBondContact O-CG 3.36Å; M148-L152 PolarHBondContact O-N 3.39Å; M148-L152 VanDerWaalsContact O-N 3.15Å; A149-L152 PolarHBondContact O-N 3.16Å; L152-H154 VanDerWaalsContact C-N 3.34Å; L152-H154 PolarHBondContact O-N 2.77Å; L152-R155 WeakPolarHBondContact O-CB 3.45Å; L152-R155 PolarHBondContact O-N 3.08Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.49Å; L152-I156 VanDerWaalsContact O-N 3.08Å; L152-M235 HydrophobicContact CB-CE 4.19Å; L152-M235 HydrophobicContact CB-SD 3.78Å; L152-M235 HydrophobicContact CD1-CE 4.36Å; L152-L238 HydrophobicContact CD1-CD2 3.8Å
153	L	98.7	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-43.7	-171.5	179.3	61.2	0	0	0	112.6	F133 F137 A149 R155 I156 I157 F232 M235	F133-L153 HydrophobicContact CZ-CD2 4.42Å; F137-L153 HydrophobicContact CE1-CD2 3.71Å; F137-L153 HydrophobicContact CZ-CB 4.45Å; F137-L153 HydrophobicContact CZ-CD2 4.02Å; A149-L153 VanDerWaalsContact O-CB 3.24Å; A149-L153 WeakPolarHBondContact O-CB 3.46Å; A149-L153 PolarHBondContact O-N 2.83Å; L153-R155 PolarHBondContact O-N 2.86Å; L153-I156 PolarHBondContact O-N 2.84Å; L153-I157 HydrophobicContact CD1-CD1 4.22Å; L153-I157 HydrophobicContact CD1-CG1 4.42Å; L153-I157 HydrophobicContact CG-CD1 4.01Å; L153-I157 WeakPolarHBondContact O-CG1 3.39Å; L153-I157 PolarHBondContact O-N 2.68Å; L153-F232 HydrophobicContact CD1-CD2 3.91Å; L153-F232 HydrophobicContact CD1-CE2 4.21Å; L153-F232 HydrophobicContact CD1-CG 4.39Å; L153-F232 HydrophobicContact CD2-CD2 4.27Å; L153-F232 HydrophobicContact CD2-CE1 4.4Å; L153-F232 HydrophobicContact CD2-CE2 3.8Å; L153-F232 HydrophobicContact CD2-CZ 3.87Å; L153-F232 HydrophobicContact CG-CE2 4.46Å; L153-M235 HydrophobicContact CB-CG 4.44Å; L153-M235 HydrophobicContact CB-SD 4.38Å; L153-M235 HydrophobicContact CD1-CB 3.98Å; L153-M235 HydrophobicContact CD1-CG 4.26Å
154	H	98.1	Very high	96.9	Very high	4 Å²	4	19 Å²	19	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-32	178.1	60.3	-96.7	0	0	0	112.7	L105 F133 S150 K151 L152 R158	L105-H154 HydrophobicContact CD1-CB 3.92Å; F133-H154 HydrophobicContact CB-CB 4.13Å; F133-H154 HydrophobicContact CD1-CB 3.59Å; F133-H154 HydrophobicContact CD2-CB 3.71Å; F133-H154 HydrophobicContact CE1-CB 3.88Å; F133-H154 HydrophobicContact CE2-CB 4Å; F133-H154 HydrophobicContact CG-CB 3.52Å; F133-H154 HydrophobicContact CZ-CB 4.09Å; S150-H154 PolarHBondContact O-CE1 3Å; S150-H154 VanDerWaalsContact O-CE1 3.31Å; S150-H154 PolarHBondContact O-ND1 3.4Å; K151-H154 VanDerWaalsContact C-CE1 3.49Å; K151-H154 PolarHBondContact O-CE1 2.97Å; K151-H154 PolarHBondContact O-NE2 3.23Å; L152-H154 VanDerWaalsContact C-N 3.34Å; L152-H154 PolarHBondContact O-N 2.77Å; H154-R158 WeakPolarHBondContact O-CB 2.95Å; H154-R158 PolarHBondContact O-N 3.1Å
155	R	96.9	Very high	96.6	Very high	97 Å²	97	18.5 Å²	18.5	37%	0.366	9%	0.09	S	C	.	.	H	α-helix	trans	-74.3	-42.3	177.2	-53.3	-173.9	179.9	-167.8	-4.2	111.4	L119 K151 L152 L153 I157 R158 D159	L119-R155 HydrophobicContact CD2-CB 4.05Å; K151-R155 PolarHBondContact O-NE 2.88Å; L152-R155 WeakPolarHBondContact O-CB 3.45Å; L152-R155 PolarHBondContact O-N 3.08Å; L153-R155 PolarHBondContact O-N 2.86Å; R155-I157 VanDerWaalsContact C-N 3.31Å; R155-I157 PolarHBondContact O-N 3.28Å; R155-R158 PolarHBondContact O-N 3Å; R155-D159 WeakPolarHBondContact O-CB 3.48Å; R155-D159 PolarHBondContact O-N 3.15Å
156	I	98.1	Very high	96.1	Very high	13 Å²	13	20.6 Å²	20.6	7%	0.067	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-43.2	176.2	-60.8	172.6	0	0	0	109.9	L119 L152 L153 D159 G160 A231 Q234 M235 L238	L119-I156 HydrophobicContact CD2-CG1 3.86Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.49Å; L152-I156 VanDerWaalsContact O-N 3.08Å; L153-I156 PolarHBondContact O-N 2.84Å; I156-D159 PolarHBondContact O-N 2.87Å; I156-G160 PolarHBondContact O-N 2.83Å; I156-A231 HydrophobicContact CB-CB 4.36Å; I156-A231 HydrophobicContact CG2-CB 3.67Å; I156-Q234 HydrophobicContact CG2-CB 3.92Å; I156-M235 HydrophobicContact CD1-CB 3.92Å; I156-M235 HydrophobicContact CD1-CG 4.4Å; I156-M235 HydrophobicContact CD1-SD 3.6Å; I156-L238 HydrophobicContact CD1-CD2 4.39Å
157	I	98.4	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-51	174.4	-69	166.9	0	0	0	110.8	F133 L153 R155 D159 G160 L161 I228 A231 V258	F133-I157 HydrophobicContact CD2-CD1 4.32Å; F133-I157 HydrophobicContact CE2-CD1 3.75Å; L153-I157 HydrophobicContact CD1-CD1 4.22Å; L153-I157 HydrophobicContact CD1-CG1 4.42Å; L153-I157 HydrophobicContact CG-CD1 4.01Å; L153-I157 WeakPolarHBondContact O-CG1 3.39Å; L153-I157 PolarHBondContact O-N 2.68Å; R155-I157 VanDerWaalsContact C-N 3.31Å; R155-I157 PolarHBondContact O-N 3.28Å; I157-D159 VanDerWaalsContact C-N 3.3Å; I157-D159 PolarHBondContact O-N 2.89Å; I157-G160 PolarHBondContact O-N 2.87Å; I157-L161 HydrophobicContact CG2-CD1 3.89Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 3.23Å; I157-I228 HydrophobicContact CD1-CG2 4.48Å; I157-I228 HydrophobicContact CG2-CG1 4.25Å; I157-A231 HydrophobicContact CB-CB 4.39Å; I157-A231 HydrophobicContact CG1-CB 3.5Å; I157-V258 HydrophobicContact CD1-CG2 4.24Å; I157-V258 HydrophobicContact CG2-CG2 4.32Å
158	R	96.8	Very high	95.5	Very high	13 Å²	13	20.8 Å²	20.8	5%	0.049	10%	0.101	C	C	.	.	H	α-helix	trans	-55.2	-46.2	177.8	177.8	-156.2	65.1	-167.9	-4.6	111.6	L105 V120 L131 H154 R155 L161 G162	L105-R158 HydrophobicContact CB-CG 4.35Å; L105-R158 HydrophobicContact CD1-CB 4.19Å; V120-R158 PolarHBondContact O-NH2 3.29Å; L131-R158 HydrophobicContact CD2-CB 4.29Å; H154-R158 WeakPolarHBondContact O-CB 2.95Å; H154-R158 PolarHBondContact O-N 3.1Å; R155-R158 PolarHBondContact O-N 3Å; R158-L161 PolarHBondContact O-N 2.88Å; R158-G162 PolarHBondContact O-N 3.44Å
159	D	94.6	Very high	95.1	Very high	34 Å²	34	25.2 Å²	25.2	18%	0.182	12%	0.122	C	C	.	.	H	α-helix	trans	-67.6	-42	-177.2	-68.8	-4.2	0	0	0	110.7	V120 R155 I156 I157 L161 G162 E163	V120-D159 PolarHBondContact N-OD2 2.84Å; R155-D159 WeakPolarHBondContact O-CB 3.48Å; R155-D159 PolarHBondContact O-N 3.15Å; I156-D159 PolarHBondContact O-N 2.87Å; I157-D159 VanDerWaalsContact C-N 3.3Å; I157-D159 PolarHBondContact O-N 2.89Å; D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.32Å; D159-G162 WeakPolarHBondContact O-CA 3.26Å; D159-G162 PolarHBondContact O-N 3.14Å; D159-E163 PolarHBondContact O-N 2.91Å
160	G	95.6	Very high	94.6	Very high	21 Å²	21	29.6 Å²	29.6	22%	0.216	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-38.5	172.8	0	0	0	0	0	113.3	I156 I157 G162 E163 V227	I156-G160 PolarHBondContact O-N 2.83Å; I157-G160 PolarHBondContact O-N 2.87Å; G160-G162 VanDerWaalsContact C-N 3.27Å; G160-G162 PolarHBondContact O-N 2.78Å; G160-E163 PolarHBondContact O-N 3.21Å; G160-V227 VanDerWaalsContact C-CG1 3.46Å
161	L	96.2	Very high	94	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.1	-30	173.2	-69.2	171.1	0	0	0	111.8	V107 L131 I157 R158 D159 E163 I164 C165 L168 V224 V227 L260	V107-L161 HydrophobicContact CB-CB 4.5Å; V107-L161 VanDerWaalsContact CG1-C 3.46Å; V107-L161 HydrophobicContact CG1-CB 3.74Å; V107-L161 WeakPolarHBondContact CG1-O 3.39Å; V107-L161 HydrophobicContact CG2-CB 3.87Å; V107-L161 HydrophobicContact CG2-CD1 4.07Å; L131-L161 HydrophobicContact CD1-CD1 3.37Å; I157-L161 HydrophobicContact CG2-CD1 3.89Å; I157-L161 HydrophobicContact CG2-CG 4.41Å; I157-L161 VanDerWaalsContact O-CG 3.31Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 3.23Å; R158-L161 PolarHBondContact O-N 2.88Å; D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.32Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 2.85Å; L161-I164 HydrophobicContact CD2-CD1 4.14Å; L161-I164 CarbonylContact O-C 3.41Å; L161-I164 VanDerWaalsContact O-CG1 3.27Å; L161-I164 WeakPolarHBondContact O-CG1 3.21Å; L161-I164 PolarHBondContact O-N 3.14Å; L161-I164 VanDerWaalsContact O-N 3.15Å; L161-C165 PolarHBondContact O-N 3.35Å; L161-L168 HydrophobicContact CB-CD1 4.38Å; L161-V224 HydrophobicContact CD2-CB 4.5Å; L161-V224 HydrophobicContact CD2-CG1 4.07Å; L161-V224 HydrophobicContact CD2-CG2 4.14Å; L161-V227 HydrophobicContact CD2-CB 4.36Å; L161-V227 HydrophobicContact CD2-CG1 3.96Å; L161-V227 HydrophobicContact CG-CG1 3.99Å; L161-L260 HydrophobicContact CD1-CD2 4.02Å; L161-L260 HydrophobicContact CD2-CD2 3.99Å
162	G	93.4	Very high	93.4	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-40	175.5	0	0	0	0	0	112.8	R108 P110 R158 D159 G160 I164 C165	R108-G162 WeakPolarHBondContact O-CA 3.24Å; P110-G162 WeakPolarHBondContact CD-O 3.44Å; R158-G162 PolarHBondContact O-N 3.44Å; D159-G162 WeakPolarHBondContact O-CA 3.26Å; D159-G162 PolarHBondContact O-N 3.14Å; G160-G162 VanDerWaalsContact C-N 3.27Å; G160-G162 PolarHBondContact O-N 2.78Å; G162-I164 PolarHBondContact O-N 3.37Å; G162-C165 WeakPolarHBondContact O-CB 3.28Å; G162-C165 PolarHBondContact O-N 2.89Å
163	E	91.1	Very high	92.7	Very high	124 Å²	124	40.7 Å²	40.7	58%	0.579	21%	0.214	S	C	*	.	H	α-helix	trans	-60.3	-32.1	176.6	-63	-60.5	147	0	0	112.5	P110 D159 G160 L161 H166	P110-E163 VanDerWaalsContact CG-CD 3.41Å; P110-E163 HydrophobicContact CG-CG 4.4Å; P110-E163 WeakPolarHBondContact CG-OE1 3.34Å; D159-E163 PolarHBondContact O-N 2.91Å; G160-E163 PolarHBondContact O-N 3.21Å; L161-E163 VanDerWaalsContact C-N 3.3Å; L161-E163 PolarHBondContact O-N 2.85Å; E163-H166 PolarHBondContact O-ND1 3.01Å
164	I	92.3	Very high	91.9	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.097	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	10.1	177.6	68.2	164.7	0	0	0	113.2	L161 G162 H166 L167 L168 L223 V224 V227	L161-I164 HydrophobicContact CD2-CD1 4.14Å; L161-I164 CarbonylContact O-C 3.41Å; L161-I164 VanDerWaalsContact O-CG1 3.27Å; L161-I164 WeakPolarHBondContact O-CG1 3.21Å; L161-I164 PolarHBondContact O-N 3.14Å; L161-I164 VanDerWaalsContact O-N 3.15Å; G162-I164 PolarHBondContact O-N 3.37Å; I164-H166 PolarHBondContact O-N 3.39Å; I164-L167 HydrophobicContact CB-CD1 4.42Å; I164-L167 WeakPolarHBondContact O-CB 3.5Å; I164-L167 PolarHBondContact O-N 3.32Å; I164-L168 HydrophobicContact CD1-CD2 4.36Å; I164-L168 HydrophobicContact CG1-CD1 4.39Å; I164-L168 HydrophobicContact CG1-CG 4.35Å; I164-L168 PolarHBondContact O-N 3.38Å; I164-L223 HydrophobicContact CB-CD2 4.26Å; I164-L223 HydrophobicContact CD1-CD2 4.05Å; I164-L223 HydrophobicContact CD1-CG 4Å; I164-L223 HydrophobicContact CG2-CD2 3.89Å; I164-L223 HydrophobicContact CG2-CG 4.3Å; I164-V224 HydrophobicContact CD1-CG2 4.08Å; I164-V227 HydrophobicContact CD1-CG2 4.04Å
165	C	91.4	Very high	91.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-55.2	-32.5	-174.3	-173.7	0	0	0	0	113.3	V107 K109 L161 G162 L167 L168 E169	V107-C165 HydrophobicContact CG1-CB 4.22Å; K109-C165 HydrophobicContact CG-CB 3.97Å; L161-C165 PolarHBondContact O-N 3.35Å; G162-C165 WeakPolarHBondContact O-CB 3.28Å; G162-C165 PolarHBondContact O-N 2.89Å; C165-L167 VanDerWaalsContact C-N 3.28Å; C165-L167 PolarHBondContact O-N 2.86Å; C165-L168 PolarHBondContact O-N 3.17Å; C165-E169 WeakPolarHBondContact O-CG 3.32Å; C165-E169 PolarHBondContact O-N 3.29Å
166	H	88.3	Confident	90.7	Very high	44 Å²	44	42.7 Å²	42.7	20%	0.204	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-29.3	176.5	64.6	-81.3	0	0	0	113.8	E163 I164 N170 P185	E163-H166 PolarHBondContact O-ND1 3.01Å; I164-H166 PolarHBondContact O-N 3.39Å; H166-N170 PolarHBondContact O-ND2 2.94Å; H166-P185 WeakPolarHBondContact NE2-CB 3.32Å
167	L	91.3	Very high	90.1	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-81.6	-34.7	173.9	-59.8	172.8	0	0	0	111.1	I164 C165 E169 N170 P171 S173 P175 L220 L223	I164-L167 HydrophobicContact CB-CD1 4.42Å; I164-L167 WeakPolarHBondContact O-CB 3.5Å; I164-L167 PolarHBondContact O-N 3.32Å; C165-L167 VanDerWaalsContact C-N 3.28Å; C165-L167 PolarHBondContact O-N 2.86Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-N170 CarbonylContact O-C 3.55Å; L167-N170 PolarHBondContact O-N 2.86Å; L167-N170 VanDerWaalsContact O-O 3.1Å; L167-P171 WeakPolarHBondContact O-CA 3.4Å; L167-S173 WeakPolarHBondContact CD2-OG 3.34Å; L167-P175 HydrophobicContact CD1-CB 3.93Å; L167-P175 HydrophobicContact CD1-CG 4.22Å; L167-L220 HydrophobicContact CB-CD1 3.89Å; L167-L223 HydrophobicContact CD1-CD2 3.57Å
168	L	92.4	Very high	89.3	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-38	174.4	-59.2	176.9	0	0	0	111.6	V107 I129 L161 I164 C165 N170 L220 V224 L260 M261	V107-L168 HydrophobicContact CG1-CD1 3.93Å; I129-L168 HydrophobicContact CD1-CB 3.4Å; I129-L168 VanDerWaalsContact CD1-CB 3.4Å; I129-L168 HydrophobicContact CD1-CD1 4.36Å; L161-L168 HydrophobicContact CB-CD1 4.38Å; I164-L168 HydrophobicContact CD1-CD2 4.36Å; I164-L168 HydrophobicContact CG1-CD1 4.39Å; I164-L168 HydrophobicContact CG1-CG 4.35Å; I164-L168 PolarHBondContact O-N 3.38Å; C165-L168 PolarHBondContact O-N 3.17Å; L168-N170 PolarHBondContact O-N 3.25Å; L168-L220 HydrophobicContact CD2-CD1 3.99Å; L168-L220 HydrophobicContact CD2-CD2 4.16Å; L168-L220 HydrophobicContact CD2-CG 4.29Å; L168-V224 HydrophobicContact CD2-CG2 4.03Å; L168-L260 HydrophobicContact CD1-CD2 4.31Å; L168-L260 HydrophobicContact CD2-CD2 4.1Å; L168-M261 HydrophobicContact CB-SD 3.96Å; L168-M261 HydrophobicContact CD2-SD 3.9Å; L168-M261 HydrophobicContact CG-SD 4.5Å; L168-M261 WeakPolarHBondContact O-CE 3.47Å
169	E	90.7	Very high	88.5	Confident	94 Å²	94	55.2 Å²	55.2	44%	0.439	32%	0.317	S	S	.	.	S	Bend	trans	-67.2	-21.8	172.5	-71	169.1	179.7	0	0	112.8	K109 I129 C165 L167	K109-E169 VanDerWaalsContact CE-OE2 3.22Å; K109-E169 WeakPolarHBondContact CE-OE2 3.38Å; K109-E169 IonicContact NZ-OE1 3.58Å; K109-E169 IonicContact NZ-OE2 2.71Å; K109-E169 PolarHBondContact NZ-OE2 3.31Å; I129-E169 HydrophobicContact CD1-CG 4.21Å; C165-E169 WeakPolarHBondContact O-CG 3.32Å; C165-E169 PolarHBondContact O-N 3.29Å; L167-E169 VanDerWaalsContact C-N 3.32Å
170	N	88.5	Confident	87.6	Confident	93 Å²	93	54.6 Å²	54.6	50%	0.497	32%	0.317	S	S	.	.	S	Bend	trans	-132.6	67.7	-176.6	-61	-73.9	0	0	0	110.9	H166 L167 L168 N172 S173	H166-N170 PolarHBondContact O-ND2 2.94Å; L167-N170 CarbonylContact O-C 3.55Å; L167-N170 PolarHBondContact O-N 2.86Å; L167-N170 VanDerWaalsContact O-O 3.1Å; L168-N170 PolarHBondContact O-N 3.25Å; N170-N172 PolarHBondContact O-N 2.92Å; N170-S173 WeakPolarHBondContact O-CB 3.44Å; N170-S173 PolarHBondContact O-N 3.43Å; N170-S173 PolarHBondContact O-OG 3.33Å
171	P	85.2	Confident	86.2	Confident	67 Å²	67	64.5 Å²	64.5	44%	0.435	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.1	-167.2	23.9	-34	0	0	0	114.8	L167 S173 L220 M261	L167-P171 WeakPolarHBondContact O-CA 3.4Å; P171-S173 VanDerWaalsContact C-N 3.29Å; P171-L220 HydrophobicContact CB-CD2 3.89Å; P171-M261 HydrophobicContact CB-CE 4.07Å; P171-M261 HydrophobicContact CG-CE 4.13Å
172	N	85	Confident	84.7	Confident	168 Å²	168	69.6 Å²	69.6	90%	0.898	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.6	174.9	-63.5	-31.1	0	0	0	113.3	N170	N170-N172 PolarHBondContact O-N 2.92Å
173	S	83.6	Confident	83.3	Confident	47 Å²	47	71.5 Å²	71.5	33%	0.329	40%	0.401	S	S	.	.	S	Bend	trans	-82.6	132.1	176.3	66.7	0	0	0	0	110.8	L167 N170 P171	L167-S173 WeakPolarHBondContact CD2-OG 3.34Å; N170-S173 WeakPolarHBondContact O-CB 3.44Å; N170-S173 PolarHBondContact O-N 3.43Å; N170-S173 PolarHBondContact O-OG 3.33Å; P171-S173 VanDerWaalsContact C-N 3.29Å
174	A	82	Confident	82.1	Confident	77 Å²	77	67 Å²	67	64%	0.636	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-69.8	139.7	172.9	0	0	0	0	0	109.7
175	P	86.3	Confident	80.7	Confident	23 Å²	23	68.1 Å²	68.1	15%	0.149	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-57.1	132	171.6	-23.1	33.5	0	0	0	111	L167 I177 V218 L223	L167-P175 HydrophobicContact CD1-CB 3.93Å; L167-P175 HydrophobicContact CD1-CG 4.22Å; P175-I177 PolarHBondContact O-N 3.42Å; P175-V218 WeakPolarHBondContact CD-O 3.43Å; P175-L223 HydrophobicContact CB-CD2 3.97Å; P175-L223 HydrophobicContact CG-CD2 3.91Å
176	P	83.9	Confident	79.1	Confident	43 Å²	43	75.9 Å²	75.9	28%	0.279	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-65.3	131	175.5	27.4	-34.2	0	0	0	110.1	C178 L179 P185	P176-C178 VanDerWaalsContact C-N 3.27Å; P176-C178 PolarHBondContact O-N 2.95Å; P176-L179 HydrophobicContact CB-CD2 4.47Å; P176-L179 HydrophobicContact CG-CD2 3.57Å; P176-P185 HydrophobicContact CG-CB 3.97Å
177	I	84.4	Confident	77.5	Confident	116 Å²	116	79.5 Å²	79.5	60%	0.595	44%	0.443	S	S	*	.	S	Bend	trans	-61.7	-39.1	179.4	-62.2	174.1	0	0	0	111	P175 E215	P175-I177 PolarHBondContact O-N 3.42Å; I177-E215 HydrophobicContact CD1-CB 4.05Å; I177-E215 VanDerWaalsContact CD1-CD 3.49Å; I177-E215 HydrophobicContact CD1-CG 3.98Å
178	C	82.7	Confident	75.1	Confident	78 Å²	78	85.3 Å²	85.3	53%	0.527	48%	0.479	S	S	.	.	S	Bend	trans	-130.6	123.8	176.1	-69.5	0	0	0	0	109.6	P176 Q187	P176-C178 VanDerWaalsContact C-N 3.27Å; P176-C178 PolarHBondContact O-N 2.95Å; C178-Q187 PolarHBondContact O-NE2 3.48Å
179	L	80.4	Confident	72.7	Confident	94 Å²	94	93.3 Å²	93.3	49%	0.492	52%	0.516	S	S	.	.			trans	-72	149.5	166.5	-60.9	174.9	0	0	0	109.5	P176 P185	P176-L179 HydrophobicContact CB-CD2 4.47Å; P176-L179 HydrophobicContact CG-CD2 3.57Å; L179-P185 HydrophobicContact CD2-CB 4.25Å
180	A	74.1	Confident	70.3	Confident	22 Å²	22	93.3 Å²	93.3	18%	0.182	53%	0.532	C	S	.	.			trans	-60.5	160.4	169.7	0	0	0	0	0	110.4	N182 G183 S184	A180-N182 VanDerWaalsContact CB-OD1 3.24Å; A180-N182 WeakPolarHBondContact CB-OD1 3.39Å; A180-N182 PolarHBondContact O-N 3.26Å; A180-G183 WeakPolarHBondContact O-CA 3.13Å; A180-G183 PolarHBondContact O-N 2.93Å; A180-S184 WeakPolarHBondContact CB-O 3.39Å; A180-S184 PolarHBondContact N-O 3.32Å
181	K	67.6	Low	68	Low	229 Å²	229	98.5 Å²	98.5	100%	0.996	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-21.9	-177.6	-71.1	-174.1	177.4	-178.9	0	114.5
182	N	65.1	Low	65.8	Low	106 Å²	106	105.4 Å²	105.4	57%	0.567	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	3.8	176.3	62.3	-4.4	0	0	0	113.8	A180 S184	A180-N182 VanDerWaalsContact CB-OD1 3.24Å; A180-N182 WeakPolarHBondContact CB-OD1 3.39Å; A180-N182 PolarHBondContact O-N 3.26Å; N182-S184 VanDerWaalsContact C-N 3.31Å; N182-S184 WeakPolarHBondContact OD1-CB 3.16Å; N182-S184 PolarHBondContact OD1-N 3.15Å
183	G	64.2	Low	63.5	Low	44 Å²	44	101.4 Å²	101.4	45%	0.454	57%	0.573	S	S	.	*	S	Bend	trans	82.1	2.6	-174.2	0	0	0	0	0	114.2	A180	A180-G183 WeakPolarHBondContact O-CA 3.13Å; A180-G183 PolarHBondContact O-N 2.93Å
184	S	65.8	Low	60.9	Low	29 Å²	29	103 Å²	103	20%	0.203	60%	0.597	C	S	.	*			trans	-71.9	137.4	-178.7	173.3	0	0	0	0	111.5	A180 N182 F186	A180-S184 WeakPolarHBondContact CB-O 3.39Å; A180-S184 PolarHBondContact N-O 3.32Å; N182-S184 VanDerWaalsContact C-N 3.31Å; N182-S184 WeakPolarHBondContact OD1-CB 3.16Å; N182-S184 PolarHBondContact OD1-N 3.15Å; S184-F186 PolarHBondContact O-N 3.4Å; S184-F186 PolarHBondContact OG-N 3.1Å; S184-F186 PolarHBondContact OG-O 3.31Å
185	P	61.6	Low	58.7	Low	44 Å²	44	105.9 Å²	105.9	29%	0.286	61%	0.606	S	S	.	*	S	Bend	trans	-68.6	-20.5	170.1	30	-35.3	0	0	0	112.2	H166 P176 L179 Q187	H166-P185 WeakPolarHBondContact NE2-CB 3.32Å; P176-P185 HydrophobicContact CG-CB 3.97Å; L179-P185 HydrophobicContact CD2-CB 4.25Å; P185-Q187 PolarHBondContact O-N 3.29Å
186	F	58.7	Low	56.4	Low	164 Å²	164	112.6 Å²	112.6	72%	0.719	64%	0.636	S	S	*	*	S	Bend	trans	-83.9	108.8	174.7	-60.2	-81.2	0	0	0	110	S184 T188	S184-F186 PolarHBondContact O-N 3.4Å; S184-F186 PolarHBondContact OG-N 3.1Å; S184-F186 PolarHBondContact OG-O 3.31Å; F186-T188 PolarHBondContact O-N 3.15Å
187	Q	54.1	Low	54.3	Low	120 Å²	120	116.9 Å²	116.9	56%	0.561	66%	0.656	S	S	*	*			trans	-69.1	121.3	162.2	-68.5	-171.9	18.3	0	0	108.3	C178 P185 E189	C178-Q187 PolarHBondContact O-NE2 3.48Å; P185-Q187 PolarHBondContact O-N 3.29Å; Q187-E189 VanDerWaalsContact C-N 3.26Å; Q187-E189 PolarHBondContact O-N 3.4Å
188	T	41.5	Very low	51.9	Low	130 Å²	130	117.3 Å²	117.3	80%	0.798	67%	0.67	S	S	*	*			trans	-73.9	89.1	166.1	-17.9	0	0	0	0	106.4	F186 A190	F186-T188 PolarHBondContact O-N 3.15Å; T188-A190 VanDerWaalsContact C-N 3.35Å; T188-A190 PolarHBondContact O-N 2.76Å
189	E	41.9	Very low	50	Low	171 Å²	171	117.9 Å²	117.9	80%	0.799	68%	0.68	S	S	*	*			trans	-65.3	99.9	168.8	-75.3	-154.4	158.4	0	0	108.9	Q187	Q187-E189 VanDerWaalsContact C-N 3.26Å; Q187-E189 PolarHBondContact O-N 3.4Å
190	A	40.1	Very low	48.3	Very low	94 Å²	94	122.4 Å²	122.4	78%	0.777	70%	0.699	S	S	*	*			trans	-99.9	72.3	155.9	0	0	0	0	0	108.3	T188	T188-A190 VanDerWaalsContact C-N 3.35Å; T188-A190 PolarHBondContact O-N 2.76Å
191	K	40.8	Very low	46.4	Very low	203 Å²	203	128.9 Å²	128.9	88%	0.883	73%	0.73	S	S	*	*			trans	-108.5	75.7	151.3	-84.3	-169.9	177.7	178.9	0	108.8
192	K	37.9	Very low	45.5	Very low	211 Å²	211	123 Å²	123	92%	0.917	72%	0.724	S	S	*	*			trans	-88.9	122.3	158	-105	-174.8	176.9	-179.9	0	108.5
193	G	35.9	Very low	44.3	Very low	85 Å²	85	124.3 Å²	124.3	88%	0.876	73%	0.731	S	S	*	*			trans	95.3	112	143.5	0	0	0	0	0	116.7
194	G	29.7	Very low	43.6	Very low	81 Å²	81	126.5 Å²	126.5	84%	0.835	75%	0.745	S	S	*	*			trans	-178.4	56	165.8	0	0	0	0	0	112.9
195	T	36.2	Very low	42.7	Very low	137 Å²	137	130.9 Å²	130.9	84%	0.84	77%	0.77	S	S	*	*			trans	-79	116.5	159	35.3	0	0	0	0	109.1
196	Q	37.8	Very low	42.3	Very low	163 Å²	163	132.5 Å²	132.5	76%	0.762	78%	0.782	S	S	*	*				161.8	131.9	114.8	-96.9	-172	-69.2	0	0	112
197	D	40.2	Very low	42	Very low	133 Å²	133	128.8 Å²	128.8	71%	0.711	77%	0.769	S	S	*	*			trans	53.9	104.1	139.9	-55.4	-26.1	0	0	0	119.7
198	S	33.3	Very low	42	Very low	126 Å²	126	126 Å²	126	88%	0.881	77%	0.767	S	S	*	*				-162.2	124.7	126.5	21.2	0	0	0	0	109.8
199	A	44.1	Very low	42.8	Very low	90 Å²	90	123.2 Å²	123.2	74%	0.744	75%	0.753	S	S	*	*			trans	-71	160.6	169	0	0	0	0	0	110.2
200	E	43.6	Very low	43.6	Very low	189 Å²	189	120.1 Å²	120.1	88%	0.883	75%	0.745	S	S	*	*			trans	76.9	92	167.4	-52.8	-177.8	171.3	0	0	115.7
201	D	35.3	Very low	44.5	Very low	157 Å²	157	123.7 Å²	123.7	84%	0.84	74%	0.739	S	S	*	*				-162.2	122.8	109.6	-128.8	-21.2	0	0	0	111	D203	D201-D203 VanDerWaalsContact C-N 3.27Å; D201-D203 PolarHBondContact O-N 3.42Å
202	A	46.7	Very low	45.8	Very low	105 Å²	105	122.8 Å²	122.8	87%	0.868	74%	0.735	S	S	*	*			trans	-86.6	72.6	173.4	0	0	0	0	0	108.3
203	D	40.8	Very low	47.5	Very low	134 Å²	134	119.1 Å²	119.1	72%	0.717	72%	0.721	S	S	*	*			trans	-117.9	100.8	166	-142.3	4	0	0	0	108.7	D201 V205	D201-D203 VanDerWaalsContact C-N 3.27Å; D201-D203 PolarHBondContact O-N 3.42Å; D203-V205 PolarHBondContact O-N 2.91Å
204	A	48.8	Very low	49.4	Very low	90 Å²	90	123.9 Å²	123.9	74%	0.744	72%	0.723	S	S	*	*			trans	-68.7	75.5	176.4	0	0	0	0	0	109	C206	A204-C206 PolarHBondContact O-N 3.49Å
205	V	47.9	Very low	51.9	Low	121 Å²	121	126.2 Å²	126.2	73%	0.733	71%	0.712	S	S	*	*			trans	-62.7	96.2	157.6	-176.9	0	0	0	0	105.2	D203 D207	D203-V205 PolarHBondContact O-N 2.91Å; V205-D207 PolarHBondContact O-N 3.4Å
206	C	52.7	Low	54.2	Low	78 Å²	78	128.3 Å²	128.3	53%	0.527	71%	0.709	S	S	.	*			trans	-61.5	86.4	169	-76.4	0	0	0	0	108.2	A204 A208 R211	A204-C206 PolarHBondContact O-N 3.49Å; C206-A208 PolarHBondContact O-N 3.46Å; C206-R211 PolarHBondContact SG-NH2 3.08Å
207	D	52.7	Low	56.4	Low	86 Å²	86	126.9 Å²	126.9	46%	0.46	71%	0.712	S	S	.	*			trans	-62.8	108.5	177	-172	2.8	0	0	0	108	V205 S209 V210	V205-D207 PolarHBondContact O-N 3.4Å; D207-S209 PolarHBondContact O-N 2.64Å; D207-S209 VanDerWaalsContact O-N 3.07Å; D207-S209 WeakPolarHBondContact OD1-CB 3.23Å; D207-S209 PolarHBondContact OD1-N 2.92Å; D207-S209 PolarHBondContact OD1-OG 2.7Å; D207-S209 VanDerWaalsContact OD1-OG 3.14Å; D207-S209 PolarHBondContact OD2-OG 2.77Å; D207-V210 HydrophobicContact CB-CG2 4.16Å; D207-V210 PolarHBondContact O-N 3.47Å
208	A	54.8	Low	58.8	Low	62 Å²	62	123.7 Å²	123.7	51%	0.512	70%	0.697	S	S	.	*	H	α-helix	trans	-56.2	-22.6	176	0	0	0	0	0	111.2	C206 V210 R211	C206-A208 PolarHBondContact O-N 3.46Å; A208-V210 VanDerWaalsContact C-N 3.32Å; A208-V210 PolarHBondContact O-N 2.83Å; A208-R211 PolarHBondContact O-N 3.06Å
209	S	58.7	Low	61.7	Low	71 Å²	71	120.3 Å²	120.3	50%	0.497	67%	0.673	S	S	.	*	H	α-helix	trans	-61.9	-35.8	175.9	92.3	0	0	0	0	112.7	D207	D207-S209 PolarHBondContact O-N 2.64Å; D207-S209 VanDerWaalsContact O-N 3.07Å; D207-S209 WeakPolarHBondContact OD1-CB 3.23Å; D207-S209 PolarHBondContact OD1-N 2.92Å; D207-S209 PolarHBondContact OD1-OG 2.7Å; D207-S209 VanDerWaalsContact OD1-OG 3.14Å; D207-S209 PolarHBondContact OD2-OG 2.77Å
210	V	58.5	Low	64	Low	106 Å²	106	117.2 Å²	117.2	64%	0.642	64%	0.644	S	S	*	*	H	α-helix	trans	-81.4	-30.3	-178.6	-175.1	0	0	0	0	111.2	D207 A208 F212 H213	D207-V210 HydrophobicContact CB-CG2 4.16Å; D207-V210 PolarHBondContact O-N 3.47Å; A208-V210 VanDerWaalsContact C-N 3.32Å; A208-V210 PolarHBondContact O-N 2.83Å; V210-F212 VanDerWaalsContact C-N 3.29Å; V210-F212 PolarHBondContact O-N 3.01Å; V210-H213 PolarHBondContact O-N 2.93Å
211	R	59	Low	66.5	Low	169 Å²	169	111.1 Å²	111.1	64%	0.638	62%	0.615	S	S	*	*	H	α-helix	trans	-70.3	-21	-176.7	-68.7	-172.6	-173.1	-175.4	-1.4	114.4	C206 A208	C206-R211 PolarHBondContact SG-NH2 3.08Å; A208-R211 PolarHBondContact O-N 3.06Å
212	F	67.9	Low	69.3	Low	185 Å²	185	106.6 Å²	106.6	81%	0.811	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	27.7	178.9	-62	-75.5	0	0	0	112.5	V210 M214	V210-F212 VanDerWaalsContact C-N 3.29Å; V210-F212 PolarHBondContact O-N 3.01Å; F212-M214 PolarHBondContact O-N 3.07Å
213	H	72.3	Confident	71.7	Confident	134 Å²	134	103.8 Å²	103.8	62%	0.62	57%	0.566	S	S	*	*			trans	-96.2	88	178.3	-166.1	75.9	0	0	0	110.9	V210 E215	V210-H213 PolarHBondContact O-N 2.93Å; H213-E215 IonicContact CE1-OE1 3.97Å; H213-E215 IonicContact NE2-OE1 3.74Å
214	M	76.4	Confident	74.4	Confident	185 Å²	185	97.4 Å²	97.4	91%	0.911	53%	0.532	S	S	*	.			trans	-115.8	124.3	166.2	-80	-177.7	76.1	0	0	109.2	F212	F212-M214 PolarHBondContact O-N 3.07Å
215	E	82.5	Confident	76.8	Confident	130 Å²	130	95.1 Å²	95.1	61%	0.607	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-92.2	128.6	172.8	-65	-170.9	159.1	0	0	110	I177 H213	I177-E215 HydrophobicContact CD1-CB 4.05Å; I177-E215 VanDerWaalsContact CD1-CD 3.49Å; I177-E215 HydrophobicContact CD1-CG 3.98Å; H213-E215 IonicContact CE1-OE1 3.97Å; H213-E215 IonicContact NE2-OE1 3.74Å
216	K	83.9	Confident	79.2	Confident	180 Å²	180	90.4 Å²	90.4	78%	0.783	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-87.8	129.9	176.6	-172	177.2	179.3	-176.9	0	109.2	V218	K216-V218 PolarHBondContact O-N 2.91Å
217	V	84.6	Confident	81.3	Confident	134 Å²	134	87.6 Å²	87.6	81%	0.812	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-71.5	124.7	168.8	-177.1	0	0	0	0	108.7
218	V	90.6	Very high	83.5	Confident	66 Å²	66	83.5 Å²	83.5	40%	0.4	44%	0.441	S	S	.	.			trans	-108.9	127.4	177.8	-179.7	0	0	0	0	108.5	P175 K216	P175-V218 WeakPolarHBondContact CD-O 3.43Å; K216-V218 PolarHBondContact O-N 2.91Å
219	S	93.1	Very high	85.6	Confident	54 Å²	54	83.7 Å²	83.7	38%	0.378	43%	0.431	S	S	.	.			trans	-81	155.9	175.9	71.5	0	0	0	0	111	E221 S222 L223	S219-E221 PolarHBondContact O-N 2.81Å; S219-S222 PolarHBondContact O-N 2.68Å; S219-S222 PolarHBondContact OG-N 3.25Å; S219-S222 VanDerWaalsContact OG-N 3.08Å; S219-S222 PolarHBondContact OG-OG 2.9Å; S219-S222 VanDerWaalsContact OG-OG 3.12Å; S219-L223 PolarHBondContact O-N 3.23Å; S219-L223 VanDerWaalsContact O-N 3.08Å
220	L	93	Very high	87.5	Confident	26 Å²	26	83.8 Å²	83.8	14%	0.136	43%	0.429	C	S	.	.	H	α-helix	trans	-58.8	-37.7	172	-178.4	59.6	0	0	0	111.7	L167 L168 P171 L223 V224	L167-L220 HydrophobicContact CB-CD1 3.89Å; L168-L220 HydrophobicContact CD2-CD1 3.99Å; L168-L220 HydrophobicContact CD2-CD2 4.16Å; L168-L220 HydrophobicContact CD2-CG 4.29Å; P171-L220 HydrophobicContact CB-CD2 3.89Å; L220-L223 HydrophobicContact CD1-CD2 4.46Å; L220-L223 WeakPolarHBondContact O-CB 3.27Å; L220-L223 PolarHBondContact O-N 3.42Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 2.78Å
221	E	95.3	Very high	89.5	Confident	61 Å²	61	78.8 Å²	78.8	29%	0.285	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-47.5	176.7	-177.2	179	89.8	0	0	111.9	S219 L223 V224 M225 K263 Y265 V401	S219-E221 PolarHBondContact O-N 2.81Å; E221-L223 VanDerWaalsContact C-N 3.26Å; E221-L223 PolarHBondContact O-N 2.86Å; E221-V224 PolarHBondContact O-N 2.85Å; E221-M225 HydrophobicContact CG-SD 4.49Å; E221-M225 WeakPolarHBondContact O-CG 3.32Å; E221-M225 PolarHBondContact O-N 2.92Å; E221-K263 IonicContact OE2-NZ 2.66Å; E221-K263 PolarHBondContact OE2-NZ 3.14Å; E221-Y265 HydrophobicContact CG-CE1 4.03Å; E221-V401 HydrophobicContact CG-CG1 4.35Å; E221-V401 HydrophobicContact CG-CG2 4.04Å
222	S	95.9	Very high	91.4	Very high	62 Å²	62	70.7 Å²	70.7	43%	0.434	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-32.3	176.2	-62.8	0	0	0	0	112.3	S219 G226	S219-S222 PolarHBondContact O-N 2.68Å; S219-S222 PolarHBondContact OG-N 3.25Å; S219-S222 VanDerWaalsContact OG-N 3.08Å; S219-S222 PolarHBondContact OG-OG 2.9Å; S219-S222 VanDerWaalsContact OG-OG 3.12Å; S222-G226 PolarHBondContact O-N 2.82Å
223	L	95.9	Very high	92.8	Very high	45 Å²	45	67.2 Å²	67.2	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-43.5	173.6	-177.1	62.3	0	0	0	111.7	I164 L167 P175 S219 L220 E221 G226 V227	I164-L223 HydrophobicContact CB-CD2 4.26Å; I164-L223 HydrophobicContact CD1-CD2 4.05Å; I164-L223 HydrophobicContact CD1-CG 4Å; I164-L223 HydrophobicContact CG2-CD2 3.89Å; I164-L223 HydrophobicContact CG2-CG 4.3Å; L167-L223 HydrophobicContact CD1-CD2 3.57Å; P175-L223 HydrophobicContact CB-CD2 3.97Å; P175-L223 HydrophobicContact CG-CD2 3.91Å; S219-L223 PolarHBondContact O-N 3.23Å; S219-L223 VanDerWaalsContact O-N 3.08Å; L220-L223 HydrophobicContact CD1-CD2 4.46Å; L220-L223 WeakPolarHBondContact O-CB 3.27Å; L220-L223 PolarHBondContact O-N 3.42Å; E221-L223 VanDerWaalsContact C-N 3.26Å; E221-L223 PolarHBondContact O-N 2.86Å; L223-G226 PolarHBondContact O-N 2.85Å; L223-V227 WeakPolarHBondContact O-CG2 3.48Å; L223-V227 PolarHBondContact O-N 2.91Å
224	V	97.9	Very high	94.1	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-61.3	-43.4	175.2	170	0	0	0	0	111.1	L161 I164 L168 L220 E221 G226 V227 I228 L260 Y265	L161-V224 HydrophobicContact CD2-CB 4.5Å; L161-V224 HydrophobicContact CD2-CG1 4.07Å; L161-V224 HydrophobicContact CD2-CG2 4.14Å; I164-V224 HydrophobicContact CD1-CG2 4.08Å; L168-V224 HydrophobicContact CD2-CG2 4.03Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 2.78Å; E221-V224 PolarHBondContact O-N 2.85Å; V224-G226 VanDerWaalsContact C-N 3.35Å; V224-G226 PolarHBondContact O-N 3.46Å; V224-V227 WeakPolarHBondContact O-CB 3.45Å; V224-V227 PolarHBondContact O-N 3.06Å; V224-I228 HydrophobicContact CG1-CD1 4.16Å; V224-I228 WeakPolarHBondContact O-CG1 3.18Å; V224-I228 PolarHBondContact O-N 2.86Å; V224-L260 HydrophobicContact CG1-CD2 4.24Å; V224-L260 HydrophobicContact CG2-CD2 4.27Å; V224-Y265 HydrophobicContact CB-CE1 3.93Å; V224-Y265 HydrophobicContact CG1-CD1 3.85Å; V224-Y265 HydrophobicContact CG1-CD2 4.26Å; V224-Y265 HydrophobicContact CG1-CE1 3.46Å; V224-Y265 VanDerWaalsContact CG1-CE1 3.46Å; V224-Y265 HydrophobicContact CG1-CE2 3.92Å; V224-Y265 HydrophobicContact CG1-CG 4.25Å
225	M	98.5	Very high	95.1	Very high	41 Å²	41	56.5 Å²	56.5	20%	0.202	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-48.2	173.5	-67.8	171.9	66.7	0	0	111.3	E221 V227 I228 E229 Y265 V399 V401	E221-M225 HydrophobicContact CG-SD 4.49Å; E221-M225 WeakPolarHBondContact O-CG 3.32Å; E221-M225 PolarHBondContact O-N 2.92Å; M225-V227 VanDerWaalsContact C-N 3.3Å; M225-V227 PolarHBondContact O-N 3.14Å; M225-I228 PolarHBondContact O-N 2.82Å; M225-I228 VanDerWaalsContact O-N 3.12Å; M225-E229 WeakPolarHBondContact O-CG 3.49Å; M225-E229 PolarHBondContact O-N 3.07Å; M225-Y265 HydrophobicContact CG-CD1 4.16Å; M225-Y265 HydrophobicContact CG-CE1 4.33Å; M225-V399 HydrophobicContact CB-CG1 4.46Å; M225-V399 HydrophobicContact CE-CB 4.05Å; M225-V399 HydrophobicContact CE-CG1 4.43Å; M225-V399 WeakPolarHBondContact CE-O 3.16Å; M225-V399 HydrophobicContact CG-CB 4.38Å; M225-V399 HydrophobicContact CG-CG1 3.97Å; M225-V401 HydrophobicContact CG-CG2 4.08Å; M225-V401 HydrophobicContact SD-CG2 3.87Å
226	G	98.2	Very high	95.9	Very high	23 Å²	23	50.6 Å²	50.6	24%	0.237	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-32.8	178	0	0	0	0	0	113.9	S222 L223 V224 T230	S222-G226 PolarHBondContact O-N 2.82Å; L223-G226 PolarHBondContact O-N 2.85Å; V224-G226 VanDerWaalsContact C-N 3.35Å; V224-G226 PolarHBondContact O-N 3.46Å; G226-T230 VanDerWaalsContact O-CB 3.29Å; G226-T230 WeakPolarHBondContact O-CB 3.38Å; G226-T230 PolarHBondContact O-N 3.09Å; G226-T230 PolarHBondContact O-OG1 3.11Å
227	V	98.4	Very high	96.6	Very high	18 Å²	18	45.5 Å²	45.5	11%	0.109	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-45.6	172.1	167.9	0	0	0	0	110.8	G160 L161 I164 L223 V224 M225 T230 A231	G160-V227 VanDerWaalsContact C-CG1 3.46Å; L161-V227 HydrophobicContact CD2-CB 4.36Å; L161-V227 HydrophobicContact CD2-CG1 3.96Å; L161-V227 HydrophobicContact CG-CG1 3.99Å; I164-V227 HydrophobicContact CD1-CG2 4.04Å; L223-V227 WeakPolarHBondContact O-CG2 3.48Å; L223-V227 PolarHBondContact O-N 2.91Å; V224-V227 WeakPolarHBondContact O-CB 3.45Å; V224-V227 PolarHBondContact O-N 3.06Å; M225-V227 VanDerWaalsContact C-N 3.3Å; M225-V227 PolarHBondContact O-N 3.14Å; V227-T230 PolarHBondContact O-N 3.32Å; V227-A231 WeakPolarHBondContact O-CB 3.42Å; V227-A231 PolarHBondContact O-N 3.4Å
228	I	98.8	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-46	178.4	-65.2	167.1	0	0	0	110.7	I157 V224 M225 T230 A231 F232 V258 Y265 A267 V399	I157-I228 HydrophobicContact CD1-CG2 4.48Å; I157-I228 HydrophobicContact CG2-CG1 4.25Å; V224-I228 HydrophobicContact CG1-CD1 4.16Å; V224-I228 WeakPolarHBondContact O-CG1 3.18Å; V224-I228 PolarHBondContact O-N 2.86Å; M225-I228 PolarHBondContact O-N 2.82Å; M225-I228 VanDerWaalsContact O-N 3.12Å; I228-T230 VanDerWaalsContact C-N 3.3Å; I228-T230 PolarHBondContact O-N 2.73Å; I228-A231 WeakPolarHBondContact O-CB 3.49Å; I228-A231 PolarHBondContact O-N 2.83Å; I228-A231 VanDerWaalsContact O-N 3.15Å; I228-F232 HydrophobicContact CG2-CD2 4.29Å; I228-F232 HydrophobicContact CG2-CE2 4.1Å; I228-F232 WeakPolarHBondContact O-CD2 3.5Å; I228-F232 PolarHBondContact O-N 3.24Å; I228-F232 VanDerWaalsContact O-N 3.14Å; I228-V258 HydrophobicContact CD1-CB 4.42Å; I228-V258 HydrophobicContact CD1-CG2 4.32Å; I228-Y265 HydrophobicContact CD1-CD1 4.22Å; I228-Y265 HydrophobicContact CD1-CG 3.96Å; I228-A267 HydrophobicContact CG2-CB 3.73Å; I228-V399 HydrophobicContact CG2-CG2 4.22Å
229	E	98.8	Very high	97.6	Very high	67 Å²	67	36.9 Å²	36.9	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-58.7	-42.5	176.3	-70.2	167.8	173	0	0	111.8	M225 A231 F232 K233 V396 P397 V399	M225-E229 WeakPolarHBondContact O-CG 3.49Å; M225-E229 PolarHBondContact O-N 3.07Å; E229-A231 VanDerWaalsContact C-N 3.35Å; E229-F232 PolarHBondContact O-N 2.96Å; E229-K233 PolarHBondContact O-N 2.87Å; E229-V396 HydrophobicContact CB-CG1 4.3Å; E229-V396 HydrophobicContact CG-CG1 4.39Å; E229-P397 HydrophobicContact CG-CG 4.34Å; E229-V399 HydrophobicContact CG-CG2 3.92Å
230	T	98.6	Very high	97.8	Very high	72 Å²	72	39.4 Å²	39.4	44%	0.442	21%	0.207	S	C	.	.	H	α-helix	trans	-66.2	-37.7	176.7	-59.4	0	0	0	0	111.6	G226 V227 I228 F232 K233 Q234	G226-T230 VanDerWaalsContact O-CB 3.29Å; G226-T230 WeakPolarHBondContact O-CB 3.38Å; G226-T230 PolarHBondContact O-N 3.09Å; G226-T230 PolarHBondContact O-OG1 3.11Å; V227-T230 PolarHBondContact O-N 3.32Å; I228-T230 VanDerWaalsContact C-N 3.3Å; I228-T230 PolarHBondContact O-N 2.73Å; T230-F232 PolarHBondContact O-N 2.88Å; T230-K233 WeakPolarHBondContact O-CB 3.22Å; T230-K233 PolarHBondContact O-N 2.77Å; T230-Q234 HydrophobicContact CG2-CG 4.3Å; T230-Q234 WeakPolarHBondContact O-CG 3.45Å; T230-Q234 PolarHBondContact O-N 3.41Å
231	A	98.8	Very high	98	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-38.5	178.3	0	0	0	0	0	112.5	I156 I157 V227 I228 E229 Q234 M235	I156-A231 HydrophobicContact CB-CB 4.36Å; I156-A231 HydrophobicContact CG2-CB 3.67Å; I157-A231 HydrophobicContact CB-CB 4.39Å; I157-A231 HydrophobicContact CG1-CB 3.5Å; V227-A231 WeakPolarHBondContact O-CB 3.42Å; V227-A231 PolarHBondContact O-N 3.4Å; I228-A231 WeakPolarHBondContact O-CB 3.49Å; I228-A231 PolarHBondContact O-N 2.83Å; I228-A231 VanDerWaalsContact O-N 3.15Å; E229-A231 VanDerWaalsContact C-N 3.35Å; A231-Q234 PolarHBondContact O-N 2.93Å; A231-M235 WeakPolarHBondContact O-CB 3.45Å; A231-M235 PolarHBondContact O-N 3.35Å
232	F	98.9	Very high	98	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-42.8	173.4	-89.2	-117.8	0	0	0	111.9	L153 I228 E229 T230 M235 D236 A254 A256 A267 A269 L375 C395 P397	L153-F232 HydrophobicContact CD1-CD2 3.91Å; L153-F232 HydrophobicContact CD1-CE2 4.21Å; L153-F232 HydrophobicContact CD1-CG 4.39Å; L153-F232 HydrophobicContact CD2-CD2 4.27Å; L153-F232 HydrophobicContact CD2-CE1 4.4Å; L153-F232 HydrophobicContact CD2-CE2 3.8Å; L153-F232 HydrophobicContact CD2-CZ 3.87Å; L153-F232 HydrophobicContact CG-CE2 4.46Å; I228-F232 HydrophobicContact CG2-CD2 4.29Å; I228-F232 HydrophobicContact CG2-CE2 4.1Å; I228-F232 WeakPolarHBondContact O-CD2 3.5Å; I228-F232 PolarHBondContact O-N 3.24Å; I228-F232 VanDerWaalsContact O-N 3.14Å; E229-F232 PolarHBondContact O-N 2.96Å; T230-F232 PolarHBondContact O-N 2.88Å; F232-M235 WeakPolarHBondContact O-CB 3.38Å; F232-M235 PolarHBondContact O-N 3.46Å; F232-D236 PolarHBondContact O-N 2.9Å; F232-A254 HydrophobicContact CD1-CB 4.41Å; F232-A254 HydrophobicContact CE1-CB 3.64Å; F232-A254 HydrophobicContact CZ-CB 4.35Å; F232-A256 HydrophobicContact CE2-CB 4.29Å; F232-A256 HydrophobicContact CZ-CB 4.08Å; F232-A267 HydrophobicContact CE2-CB 3.95Å; F232-A267 HydrophobicContact CZ-CB 4Å; F232-A269 HydrophobicContact CD1-CB 4.14Å; F232-A269 HydrophobicContact CE1-CB 4.01Å; F232-L375 HydrophobicContact CD1-CD2 4.37Å; F232-L375 WeakPolarHBondContact O-CD2 3.25Å; F232-C395 WeakPolarHBondContact CB-O 3.39Å; F232-P397 HydrophobicContact CB-CG 4.13Å; F232-P397 HydrophobicContact CD1-CB 3.96Å; F232-P397 HydrophobicContact CD1-CG 3.83Å; F232-P397 HydrophobicContact CD2-CG 3.77Å; F232-P397 HydrophobicContact CE1-CB 3.85Å; F232-P397 HydrophobicContact CE1-CG 4.1Å; F232-P397 HydrophobicContact CE2-CB 4.43Å; F232-P397 HydrophobicContact CE2-CG 4.04Å; F232-P397 HydrophobicContact CG-CB 4.29Å; F232-P397 HydrophobicContact CG-CG 3.65Å; F232-P397 HydrophobicContact CZ-CB 4.1Å; F232-P397 HydrophobicContact CZ-CG 4.2Å
233	K	98.8	Very high	97.9	Very high	112 Å²	112	42.7 Å²	42.7	49%	0.487	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-46.2	174.5	-174.1	-179	177.3	-177.6	0	111.7	E229 T230 M235 D236 D237	E229-K233 PolarHBondContact O-N 2.87Å; T230-K233 WeakPolarHBondContact O-CB 3.22Å; T230-K233 PolarHBondContact O-N 2.77Å; K233-M235 VanDerWaalsContact C-N 3.29Å; K233-M235 PolarHBondContact O-N 2.86Å; K233-D236 PolarHBondContact O-N 3.04Å; K233-D237 VanDerWaalsContact O-CG 3.27Å; K233-D237 PolarHBondContact O-N 2.97Å
234	Q	98.7	Very high	97.7	Very high	94 Å²	94	45.7 Å²	45.7	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-37.8	176.8	-73.5	174.1	-8.3	0	0	112.2	I156 T230 A231 L238	I156-Q234 HydrophobicContact CG2-CB 3.92Å; T230-Q234 HydrophobicContact CG2-CG 4.3Å; T230-Q234 WeakPolarHBondContact O-CG 3.45Å; T230-Q234 PolarHBondContact O-N 3.41Å; A231-Q234 PolarHBondContact O-N 2.93Å; Q234-L238 WeakPolarHBondContact O-CB 3.33Å; Q234-L238 PolarHBondContact O-N 3.25Å
235	M	98.8	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-43.5	174.5	-173.7	66.6	-123.2	0	0	111.4	M148 L152 L153 I156 A231 F232 K233 L238 I239 L375	M148-M235 HydrophobicContact CB-CE 4.18Å; M148-M235 HydrophobicContact CE-CE 4.09Å; M148-M235 HydrophobicContact CG-CE 3.68Å; M148-M235 HydrophobicContact SD-CE 3.98Å; L152-M235 HydrophobicContact CB-CE 4.19Å; L152-M235 HydrophobicContact CB-SD 3.78Å; L152-M235 HydrophobicContact CD1-CE 4.36Å; L153-M235 HydrophobicContact CB-CG 4.44Å; L153-M235 HydrophobicContact CB-SD 4.38Å; L153-M235 HydrophobicContact CD1-CB 3.98Å; L153-M235 HydrophobicContact CD1-CG 4.26Å; I156-M235 HydrophobicContact CD1-CB 3.92Å; I156-M235 HydrophobicContact CD1-CG 4.4Å; I156-M235 HydrophobicContact CD1-SD 3.6Å; A231-M235 WeakPolarHBondContact O-CB 3.45Å; A231-M235 PolarHBondContact O-N 3.35Å; F232-M235 WeakPolarHBondContact O-CB 3.38Å; F232-M235 PolarHBondContact O-N 3.46Å; K233-M235 VanDerWaalsContact C-N 3.29Å; K233-M235 PolarHBondContact O-N 2.86Å; M235-L238 HydrophobicContact CE-CD2 4.43Å; M235-L238 WeakPolarHBondContact O-CB 3.43Å; M235-L238 PolarHBondContact O-N 3.46Å; M235-I239 HydrophobicContact CE-CD1 3.94Å; M235-I239 HydrophobicContact CE-CG1 3.73Å; M235-I239 HydrophobicContact CG-CD1 4.42Å; M235-I239 WeakPolarHBondContact O-CG1 3.32Å; M235-I239 PolarHBondContact O-N 3.05Å; M235-L375 HydrophobicContact CG-CD1 3.87Å
236	D	98.8	Very high	97.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-43	178.1	-167.8	55.2	0	0	0	112.8	F232 K233 L238 I239 E240 L375 G376 H378 K390 C395	F232-D236 PolarHBondContact O-N 2.9Å; K233-D236 PolarHBondContact O-N 3.04Å; D236-L238 VanDerWaalsContact C-N 3.27Å; D236-L238 PolarHBondContact O-N 3.08Å; D236-I239 WeakPolarHBondContact O-CB 3.16Å; D236-I239 PolarHBondContact O-N 2.64Å; D236-E240 PolarHBondContact O-N 3.31Å; D236-L375 HydrophobicContact CB-CD2 3.91Å; D236-G376 PolarHBondContact OD1-N 3.44Å; D236-H378 PolarHBondContact O-NE2 3.37Å; D236-H378 IonicContact OD1-CE1 2.73Å; D236-H378 IonicContact OD1-NE2 3.91Å; D236-H378 PolarHBondContact OD1-NE2 3.48Å; D236-H378 IonicContact OD2-CE1 2.73Å; D236-H378 PolarHBondContact OD2-CE1 3.26Å; D236-H378 IonicContact OD2-NE2 3.99Å; D236-K390 IonicContact OD1-NZ 3.96Å; D236-K390 PolarHBondContact OD1-NZ 2.96Å; D236-K390 VanDerWaalsContact OD2-CE 3.3Å; D236-K390 WeakPolarHBondContact OD2-CE 3.46Å; D236-K390 IonicContact OD2-NZ 3.08Å; D236-K390 PolarHBondContact OD2-NZ 3.33Å; D236-C395 HydrophobicContact CB-CB 3.53Å; D236-C395 WeakPolarHBondContact OD2-CB 3.37Å; D236-C395 PolarHBondContact OD2-SG 3.08Å
237	D	98.5	Very high	97.2	Very high	73 Å²	73	51.2 Å²	51.2	39%	0.39	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-37.7	173.5	-68.1	-15.8	0	0	0	110.6	K233 E240 K241	K233-D237 VanDerWaalsContact O-CG 3.27Å; K233-D237 PolarHBondContact O-N 2.97Å; D237-E240 PolarHBondContact O-N 3Å; D237-K241 WeakPolarHBondContact O-CB 3.44Å; D237-K241 PolarHBondContact O-N 2.94Å
238	L	98.2	Very high	97.1	Very high	19 Å²	19	51 Å²	51	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-41.8	176.5	-175.9	64.7	0	0	0	111.6	M148 L152 I156 Q234 M235 D236 K241 E242	M148-L238 HydrophobicContact CE-CB 4.5Å; M148-L238 HydrophobicContact CE-CD2 3.84Å; M148-L238 HydrophobicContact CE-CG 3.61Å; L152-L238 HydrophobicContact CD1-CD2 3.8Å; I156-L238 HydrophobicContact CD1-CD2 4.39Å; Q234-L238 WeakPolarHBondContact O-CB 3.33Å; Q234-L238 PolarHBondContact O-N 3.25Å; M235-L238 HydrophobicContact CE-CD2 4.43Å; M235-L238 WeakPolarHBondContact O-CB 3.43Å; M235-L238 PolarHBondContact O-N 3.46Å; D236-L238 VanDerWaalsContact C-N 3.27Å; D236-L238 PolarHBondContact O-N 3.08Å; L238-K241 PolarHBondContact O-N 3.13Å; L238-E242 HydrophobicContact CD1-CG 4.03Å; L238-E242 HydrophobicContact CG-CG 4.5Å; L238-E242 WeakPolarHBondContact O-CB 3.39Å; L238-E242 PolarHBondContact O-N 3.11Å
239	I	98.1	Very high	96.9	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-48.2	172.4	-71.8	160.8	0	0	0	110	A145 M148 M235 D236 K241 E242 K243 I248 L375	A145-I239 HydrophobicContact CB-CD1 4.45Å; M148-I239 HydrophobicContact CG-CG1 4.49Å; M148-I239 HydrophobicContact SD-CB 4.33Å; M148-I239 HydrophobicContact SD-CG1 3.56Å; M148-I239 VanDerWaalsContact SD-CG1 3.56Å; M235-I239 HydrophobicContact CE-CD1 3.94Å; M235-I239 HydrophobicContact CE-CG1 3.73Å; M235-I239 HydrophobicContact CG-CD1 4.42Å; M235-I239 WeakPolarHBondContact O-CG1 3.32Å; M235-I239 PolarHBondContact O-N 3.05Å; D236-I239 WeakPolarHBondContact O-CB 3.16Å; D236-I239 PolarHBondContact O-N 2.64Å; I239-K241 PolarHBondContact O-N 3.02Å; I239-E242 PolarHBondContact O-N 2.83Å; I239-K243 HydrophobicContact CG2-CD 4.08Å; I239-K243 WeakPolarHBondContact O-CD 3.44Å; I239-K243 WeakPolarHBondContact O-CG 3.15Å; I239-K243 PolarHBondContact O-N 2.82Å; I239-K243 VanDerWaalsContact O-N 3.08Å; I239-I248 HydrophobicContact CG2-CG2 4.06Å; I239-L375 HydrophobicContact CD1-CB 3.87Å
240	E	97.3	Very high	96.7	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-49.7	178.4	-164.4	179.8	-175.4	0	0	111.7	D236 D237 K243 H378	D236-E240 PolarHBondContact O-N 3.31Å; D237-E240 PolarHBondContact O-N 3Å; E240-K243 PolarHBondContact O-N 2.98Å; E240-H378 HydrophobicContact CG-CB 4.36Å; E240-H378 IonicContact OE2-CE1 3.81Å
241	K	96.9	Very high	96.7	Very high	142 Å²	142	47.4 Å²	47.4	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-62.2	-48.9	-178.2	-177.5	-176.6	175.8	-173.5	0	111.7	D237 L238 I239 K243 T244	D237-K241 WeakPolarHBondContact O-CB 3.44Å; D237-K241 PolarHBondContact O-N 2.94Å; L238-K241 PolarHBondContact O-N 3.13Å; I239-K241 PolarHBondContact O-N 3.02Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K241-K243 PolarHBondContact O-N 3.22Å; K241-T244 PolarHBondContact O-N 3.1Å; K241-T244 PolarHBondContact O-OG1 2.89Å
242	E	96.4	Very high	96.7	Very high	34 Å²	34	47.3 Å²	47.3	16%	0.159	25%	0.247	C	C	.	.	H	α-helix	trans	-73.5	-20.3	-174.8	-74.5	-162	-179.1	0	0	112.9	R42 M148 L238 I239 T244 S245 Y246 I248	R42-E242 WeakPolarHBondContact CD-OE2 3.33Å; R42-E242 WeakPolarHBondContact CG-OE2 3.34Å; R42-E242 IonicContact NE-OE1 2.98Å; R42-E242 IonicContact NE-OE2 2.88Å; R42-E242 PolarHBondContact NE-OE2 3Å; R42-E242 VanDerWaalsContact NE-OE2 3.08Å; M148-E242 HydrophobicContact CE-CB 4.07Å; M148-E242 HydrophobicContact CE-CG 4.11Å; M148-E242 WeakPolarHBondContact CE-OE2 3.33Å; L238-E242 HydrophobicContact CD1-CG 4.03Å; L238-E242 HydrophobicContact CG-CG 4.5Å; L238-E242 WeakPolarHBondContact O-CB 3.39Å; L238-E242 PolarHBondContact O-N 3.11Å; I239-E242 PolarHBondContact O-N 2.83Å; E242-T244 PolarHBondContact O-N 3.41Å; E242-T244 VanDerWaalsContact O-N 3.11Å; E242-S245 CarbonylContact O-C 3.59Å; E242-S245 PolarHBondContact O-N 3.49Å; E242-Y246 HydrophobicContact CB-CD2 4.05Å; E242-Y246 HydrophobicContact CG-CD2 4.44Å; E242-Y246 PolarHBondContact O-N 2.81Å; E242-I248 HydrophobicContact CB-CD1 3.67Å
243	K	93.1	Very high	96.7	Very high	41 Å²	41	47.4 Å²	47.4	18%	0.178	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.8	172.4	-81.9	166.7	68	85.1	0	114.1	L39 I239 E240 K241 S245 Y246 I248 H378 D379	L39-K243 WeakPolarHBondContact CD1-O 3.5Å; I239-K243 HydrophobicContact CG2-CD 4.08Å; I239-K243 WeakPolarHBondContact O-CD 3.44Å; I239-K243 WeakPolarHBondContact O-CG 3.15Å; I239-K243 PolarHBondContact O-N 2.82Å; I239-K243 VanDerWaalsContact O-N 3.08Å; E240-K243 PolarHBondContact O-N 2.98Å; K241-K243 VanDerWaalsContact C-N 3.3Å; K241-K243 PolarHBondContact O-N 3.22Å; K243-S245 VanDerWaalsContact C-N 3.26Å; K243-S245 PolarHBondContact O-N 2.79Å; K243-Y246 WeakPolarHBondContact CA-O 3.3Å; K243-I248 HydrophobicContact CG-CB 3.74Å; K243-I248 HydrophobicContact CG-CD1 4.23Å; K243-I248 HydrophobicContact CG-CG1 4.47Å; K243-I248 HydrophobicContact CG-CG2 4.43Å; K243-I248 PolarHBondContact NZ-O 3.21Å; K243-I248 VanDerWaalsContact NZ-O 3.17Å; K243-H378 HydrophobicContact CD-CB 4.47Å; K243-D379 WeakPolarHBondContact CE-OD2 3.38Å; K243-D379 IonicContact NZ-OD2 3.43Å; K243-D379 PolarHBondContact NZ-OD2 3.43Å
244	T	91.2	Very high	96.7	Very high	109 Å²	109	42.1 Å²	42.1	67%	0.669	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-20	175.3	62.8	0	0	0	0	113.4	K241 E242	K241-T244 PolarHBondContact O-N 3.1Å; K241-T244 PolarHBondContact O-OG1 2.89Å; E242-T244 PolarHBondContact O-N 3.41Å; E242-T244 VanDerWaalsContact O-N 3.11Å
245	S	94.9	Very high	96.7	Very high	66 Å²	66	37.6 Å²	37.6	46%	0.462	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-21.2	-175.6	-59.2	0	0	0	0	112.8	E242 K243	E242-S245 CarbonylContact O-C 3.59Å; E242-S245 PolarHBondContact O-N 3.49Å; K243-S245 VanDerWaalsContact C-N 3.26Å; K243-S245 PolarHBondContact O-N 2.79Å
246	Y	95.1	Very high	96.7	Very high	80 Å²	80	37.6 Å²	37.6	31%	0.314	20%	0.204	S	C	.	.	S	Bend	trans	-134.6	149.7	-176.2	-59.4	-77.4	0	0	0	112.5	P40 R42 E242 K243 I248	P40-Y246 HydrophobicContact CG-CD1 4.13Å; P40-Y246 HydrophobicContact CG-CE1 4.46Å; P40-Y246 CarbonylContact O-C 3.57Å; P40-Y246 WeakPolarHBondContact O-CA 3.48Å; P40-Y246 WeakPolarHBondContact O-CB 3.37Å; R42-Y246 HydrophobicContact CB-CD1 3.95Å; R42-Y246 HydrophobicContact CB-CD2 4.11Å; R42-Y246 HydrophobicContact CB-CG 3.66Å; R42-Y246 VanDerWaalsContact CD-CE2 3.5Å; R42-Y246 HydrophobicContact CG-CD2 4.32Å; R42-Y246 HydrophobicContact CG-CG 4.34Å; E242-Y246 HydrophobicContact CB-CD2 4.05Å; E242-Y246 HydrophobicContact CG-CD2 4.44Å; E242-Y246 PolarHBondContact O-N 2.81Å; K243-Y246 WeakPolarHBondContact CA-O 3.3Å; Y246-I248 PolarHBondContact O-N 2.93Å
247	A	93.6	Very high	96.7	Very high	35 Å²	35	37.4 Å²	37.4	29%	0.289	20%	0.203	S	C	.	.			trans	-73.8	90.5	170.8	0	0	0	0	0	110.5	L39 P40 H41	L39-A247 HydrophobicContact CB-CB 4.34Å; L39-A247 VanDerWaalsContact O-CB 3.25Å; L39-A247 WeakPolarHBondContact O-CB 3.43Å; P40-A247 PolarHBondContact O-N 2.87Å; H41-A247 PolarHBondContact ND1-O 3.18Å
248	I	96.1	Very high	96.8	Very high	12 Å²	12	34 Å²	34	6%	0.062	18%	0.184	C	C	.	.			trans	-110.6	103	172.9	-52.7	162.7	0	0	0	108.1	R42 M148 I239 E242 K243 Y246	R42-I248 HydrophobicContact CB-CG1 4.39Å; M148-I248 HydrophobicContact CE-CD1 4.41Å; M148-I248 HydrophobicContact SD-CD1 3.58Å; M148-I248 VanDerWaalsContact SD-CD1 3.58Å; M148-I248 HydrophobicContact SD-CG1 4.43Å; I239-I248 HydrophobicContact CG2-CG2 4.06Å; E242-I248 HydrophobicContact CB-CD1 3.67Å; K243-I248 HydrophobicContact CG-CB 3.74Å; K243-I248 HydrophobicContact CG-CD1 4.23Å; K243-I248 HydrophobicContact CG-CG1 4.47Å; K243-I248 HydrophobicContact CG-CG2 4.43Å; K243-I248 PolarHBondContact NZ-O 3.21Å; K243-I248 VanDerWaalsContact NZ-O 3.17Å; Y246-I248 PolarHBondContact O-N 2.93Å
249	S	95.3	Very high	96.7	Very high	50 Å²	50	33.7 Å²	33.7	35%	0.35	18%	0.182	S	C	.	.			trans	-88.3	155.7	-179.7	52.2	0	0	0	0	112.4	G144 A145	G144-S249 WeakPolarHBondContact CA-O 3.18Å; G144-S249 PolarHBondContact N-O 2.85Å; G144-S249 PolarHBondContact N-OG 2.92Å; A145-S249 PolarHBondContact N-O 3.28Å
250	G	95.9	Very high	96.6	Very high	14 Å²	14	33.8 Å²	33.8	14%	0.144	18%	0.182	C	C	.	.	S	Bend	trans	70.4	-164.3	167.1	0	0	0	0	0	116.1	H140 A141 D377	H140-G250 WeakPolarHBondContact O-CA 3.46Å; A141-G250 WeakPolarHBondContact O-CA 3.5Å; A141-G250 PolarHBondContact O-N 3.29Å; G250-D377 PolarHBondContact O-N 2.98Å; G250-D377 VanDerWaalsContact O-N 3.12Å
251	G	98.3	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	-179.3	166.7	0	0	0	0	0	109.6	H140 L375 D377	H140-G251 VanDerWaalsContact CE1-C 3.49Å; H140-G251 PolarHBondContact N-O 2.92Å; H140-G251 PolarHBondContact O-N 3.36Å; H140-G251 VanDerWaalsContact O-N 3.13Å; G251-L375 CarbonylContact C-O 3.58Å; G251-L375 WeakPolarHBondContact CA-O 3.36Å; G251-D377 PolarHBondContact N-OD1 2.79Å
252	C	98.7	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.4	171.6	69.7	0	0	0	0	112.8	D138 A146 G374 L375	D138-C252 CarbonylContact O-C 3.51Å; D138-C252 WeakPolarHBondContact O-CA 3.19Å; D138-C252 WeakPolarHBondContact O-CB 3.34Å; A146-C252 HydrophobicContact CB-CB 3.82Å; C252-G374 CarbonylContact O-C 3.48Å; C252-G374 WeakPolarHBondContact O-CA 3.12Å; C252-L375 PolarHBondContact N-O 3.27Å; C252-L375 PolarHBondContact O-N 3.18Å
253	C	98.7	Very high	96.3	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	15%	0.15	C	C	.	.			trans	-67	151.7	156.6	-59.9	0	0	0	0	109	F137 D138 A269 G270 D271	F137-C253 VanDerWaalsContact CA-O 3.23Å; F137-C253 WeakPolarHBondContact CA-O 3.47Å; D138-C253 HydrophobicContact CB-CB 3.84Å; D138-C253 PolarHBondContact N-O 3.49Å; D138-C253 PolarHBondContact O-N 3.34Å; C253-A269 CarbonylContact C-O 3.57Å; C253-A269 VanDerWaalsContact CA-O 3.32Å; C253-A269 WeakPolarHBondContact CA-O 3.28Å; C253-G270 VanDerWaalsContact SG-CA 3.54Å; C253-D271 PolarHBondContact SG-OD1 2.76Å
254	A	98.8	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	115.3	179.3	0	0	0	0	0	110.2	F137 F232 A269 L375	F137-A254 HydrophobicContact CD1-CB 3.78Å; F137-A254 HydrophobicContact CE1-CB 3.96Å; F232-A254 HydrophobicContact CD1-CB 4.41Å; F232-A254 HydrophobicContact CE1-CB 3.64Å; F232-A254 HydrophobicContact CZ-CB 4.35Å; A254-A269 PolarHBondContact N-O 2.83Å; A254-A269 PolarHBondContact O-N 2.98Å; A254-L375 HydrophobicContact CB-CD1 3.94Å; A254-L375 HydrophobicContact CB-CG 4.21Å
255	L	98.9	Very high	96.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.7	175.4	172.2	59.7	0	0	0	108.9	G135 V136 V266 A267 N268 R273 A274 T286 M417	G135-L255 CarbonylContact C-O 3.59Å; G135-L255 VanDerWaalsContact CA-O 3.32Å; G135-L255 WeakPolarHBondContact CA-O 3.42Å; V136-L255 PolarHBondContact N-O 2.59Å; V136-L255 PolarHBondContact O-N 2.85Å; L255-V266 HydrophobicContact CD1-CG1 4.05Å; L255-A267 WeakPolarHBondContact CA-O 3.13Å; L255-N268 HydrophobicContact CD1-CB 4.02Å; L255-R273 WeakPolarHBondContact CD2-O 3.1Å; L255-A274 HydrophobicContact CD1-CB 4.34Å; L255-A274 HydrophobicContact CD2-CB 4.13Å; L255-T286 HydrophobicContact CD1-CG2 3.68Å; L255-M417 HydrophobicContact CD2-CB 4.07Å; L255-M417 HydrophobicContact CD2-CE 4.05Å; L255-M417 HydrophobicContact CG-CE 3.7Å
256	A	98.9	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.3	-178.3	0	0	0	0	0	111.4	F133 W134 F232 V266 A267	F133-A256 HydrophobicContact CE2-CB 3.67Å; F133-A256 HydrophobicContact CZ-CB 3.77Å; W134-A256 CarbonylContact O-C 3.58Å; W134-A256 WeakPolarHBondContact O-CA 3.44Å; F232-A256 HydrophobicContact CE2-CB 4.29Å; F232-A256 HydrophobicContact CZ-CB 4.08Å; A256-V266 CarbonylContact O-C 3.44Å; A256-V266 WeakPolarHBondContact O-CA 3.48Å; A256-A267 PolarHBondContact N-O 3.3Å; A256-A267 PolarHBondContact O-N 2.91Å
257	V	98.9	Very high	97.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.4	168.8	175.4	0	0	0	0	107.9	F133 W134 L264 Y265 V266 L415 M417	F133-V257 WeakPolarHBondContact CA-O 3.33Å; W134-V257 HydrophobicContact CB-CB 4.43Å; W134-V257 HydrophobicContact CE3-CB 4.39Å; W134-V257 HydrophobicContact CE3-CG1 4.1Å; W134-V257 PolarHBondContact N-O 3.37Å; W134-V257 PolarHBondContact O-N 2.86Å; V257-L264 HydrophobicContact CG1-CD2 3.86Å; V257-Y265 WeakPolarHBondContact CA-O 3.42Å; V257-V266 HydrophobicContact CG2-CB 4.49Å; V257-V266 HydrophobicContact CG2-CG1 4.04Å; V257-V266 HydrophobicContact CG2-CG2 4.13Å; V257-L415 HydrophobicContact CG1-CD1 4.26Å; V257-L415 HydrophobicContact CG2-CD1 4.12Å; V257-L415 HydrophobicContact CG2-CD2 4.07Å; V257-M417 HydrophobicContact CB-CE 4.3Å; V257-M417 HydrophobicContact CB-SD 4.11Å; V257-M417 HydrophobicContact CG2-CE 3.64Å; V257-M417 HydrophobicContact CG2-CG 4.21Å; V257-M417 HydrophobicContact CG2-SD 3.5Å; V257-M417 WeakPolarHBondContact CG2-SD 3.18Å
258	V	98.7	Very high	97.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.4	176.8	-179.2	0	0	0	0	108.5	L131 H132 F133 I157 I228 L264 Y265	L131-V258 HydrophobicContact CD1-CG1 3.42Å; L131-V258 VanDerWaalsContact CD1-CG1 3.42Å; L131-V258 HydrophobicContact CG-CG1 4.05Å; H132-V258 CarbonylContact O-C 3.49Å; H132-V258 WeakPolarHBondContact O-CA 3.37Å; F133-V258 HydrophobicContact CD2-CG2 3.95Å; F133-V258 HydrophobicContact CE2-CG2 4.33Å; I157-V258 HydrophobicContact CD1-CG2 4.24Å; I157-V258 HydrophobicContact CG2-CG2 4.32Å; I228-V258 HydrophobicContact CD1-CB 4.42Å; I228-V258 HydrophobicContact CD1-CG2 4.32Å; V258-L264 CarbonylContact O-C 3.58Å; V258-L264 WeakPolarHBondContact O-CA 3.36Å; V258-Y265 PolarHBondContact N-O 3.29Å; V258-Y265 PolarHBondContact O-N 3.28Å
259	Y	97.8	Very high	97.6	Very high	14 Å²	14	10.6 Å²	10.6	6%	0.055	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.9	165.6	175.7	-93.4	0	0	0	110.1	W80 H132 G262 K263 L264 L404 H493 T497	W80-Y259 HydrophobicContact CH2-CD1 4.36Å; W80-Y259 AromaticContact CH2-CD2 3.35Å; W80-Y259 HydrophobicContact CH2-CD2 3.35Å; W80-Y259 AromaticContact CH2-CE2 3.75Å; W80-Y259 HydrophobicContact CH2-CE2 3.75Å; W80-Y259 AromaticContact CH2-CG 3.65Å; W80-Y259 HydrophobicContact CH2-CG 3.65Å; W80-Y259 AromaticContact CZ2-CD1 3.72Å; W80-Y259 HydrophobicContact CZ2-CD1 3.72Å; W80-Y259 AromaticContact CZ2-CD2 3.57Å; W80-Y259 HydrophobicContact CZ2-CD2 3.57Å; W80-Y259 HydrophobicContact CZ2-CE1 4.04Å; W80-Y259 AromaticContact CZ2-CE2 3.86Å; W80-Y259 HydrophobicContact CZ2-CE2 3.86Å; W80-Y259 AromaticContact CZ2-CG 3.45Å; W80-Y259 HydrophobicContact CZ2-CG 3.45Å; W80-Y259 VanDerWaalsContact CZ2-CG 3.45Å; H132-Y259 PolarHBondContact N-O 3.22Å; H132-Y259 VanDerWaalsContact N-O 3.16Å; H132-Y259 AromaticContact ND1-CD1 3.66Å; H132-Y259 PolarHBondContact O-N 3.02Å; Y259-G262 PolarHBondContact OH-N 3.12Å; Y259-K263 WeakPolarHBondContact CA-O 3.22Å; Y259-L264 HydrophobicContact CD2-CD2 3.94Å; Y259-L264 HydrophobicContact CG-CD2 4.37Å; Y259-L404 HydrophobicContact CD2-CD1 3.58Å; Y259-L404 HydrophobicContact CE2-CD1 3.47Å; Y259-L404 VanDerWaalsContact CE2-CD1 3.47Å; Y259-H493 AromaticContact CZ-CD2 3.93Å; Y259-H493 PolarHBondContact OH-CD2 2.93Å; Y259-T497 HydrophobicContact CD1-CG2 4.19Å; Y259-T497 HydrophobicContact CE1-CG2 3.31Å
260	L	95.9	Very high	97.7	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.01	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	124.8	174.9	-177.1	67.6	0	0	0	109.7	I129 L131 L161 L168 V224 G262 K263 Y265	I129-L260 HydrophobicContact CG2-CD1 3.79Å; L131-L260 HydrophobicContact CD1-CB 4.12Å; L131-L260 HydrophobicContact CD1-CD1 3.94Å; L131-L260 HydrophobicContact CD1-CG 4.41Å; L161-L260 HydrophobicContact CD1-CD2 4.02Å; L161-L260 HydrophobicContact CD2-CD2 3.99Å; L168-L260 HydrophobicContact CD1-CD2 4.31Å; L168-L260 HydrophobicContact CD2-CD2 4.1Å; V224-L260 HydrophobicContact CG1-CD2 4.24Å; V224-L260 HydrophobicContact CG2-CD2 4.27Å; L260-G262 PolarHBondContact O-N 3Å; L260-K263 PolarHBondContact N-O 2.81Å; L260-K263 PolarHBondContact O-N 2.73Å; L260-K263 VanDerWaalsContact O-N 3.15Å; L260-Y265 HydrophobicContact CB-CE2 4.13Å
261	M	92.8	Very high	97.8	Very high	75 Å²	75	8.7 Å²	8.7	37%	0.369	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	56.3	171.7	-59.2	174.8	70.7	0	0	113.7	I129 L168 P171 K263	I129-M261 HydrophobicContact CG2-CG 4.18Å; L168-M261 HydrophobicContact CB-SD 3.96Å; L168-M261 HydrophobicContact CD2-SD 3.9Å; L168-M261 HydrophobicContact CG-SD 4.5Å; L168-M261 WeakPolarHBondContact O-CE 3.47Å; P171-M261 HydrophobicContact CB-CE 4.07Å; P171-M261 HydrophobicContact CG-CE 4.13Å; M261-K263 VanDerWaalsContact C-N 3.26Å; M261-K263 PolarHBondContact O-N 3.12Å
262	G	93.6	Very high	97.8	Very high	2 Å²	2	8.7 Å²	8.7	2%	0.021	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	3.4	176.9	0	0	0	0	0	115.2	Y259 L260 N403 L404	Y259-G262 PolarHBondContact OH-N 3.12Å; L260-G262 PolarHBondContact O-N 3Å; G262-N403 PolarHBondContact O-OD1 2.76Å; G262-L404 WeakPolarHBondContact O-CB 3.39Å; G262-L404 PolarHBondContact O-N 2.88Å
263	K	96.4	Very high	97.8	Very high	48 Å²	48	10.8 Å²	10.8	21%	0.209	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.6	-176.5	-61.8	-176.6	179.5	-173.9	0	112.3	E221 Y259 L260 M261 Y265 V401 Y402 N403	E221-K263 IonicContact OE2-NZ 2.66Å; E221-K263 PolarHBondContact OE2-NZ 3.14Å; Y259-K263 WeakPolarHBondContact CA-O 3.22Å; L260-K263 PolarHBondContact N-O 2.81Å; L260-K263 PolarHBondContact O-N 2.73Å; L260-K263 VanDerWaalsContact O-N 3.15Å; M261-K263 VanDerWaalsContact C-N 3.26Å; M261-K263 PolarHBondContact O-N 3.12Å; K263-Y265 HydrophobicContact CB-CD2 4.38Å; K263-Y265 HydrophobicContact CB-CE2 3.7Å; K263-V401 HydrophobicContact CB-CG1 4.15Å; K263-V401 HydrophobicContact CD-CG1 4.03Å; K263-V401 HydrophobicContact CG-CG1 4.46Å; K263-Y402 WeakPolarHBondContact CA-O 3.43Å; K263-N403 HydrophobicContact CG-CB 4.5Å
264	L	98.3	Very high	97.8	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.01	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.1	166.7	-63.1	171.5	0	0	0	109.1	W80 V257 V258 Y259 V401 Y402 L404 L415 L490	W80-L264 HydrophobicContact CH2-CD2 4.28Å; W80-L264 HydrophobicContact CZ3-CD2 4.41Å; V257-L264 HydrophobicContact CG1-CD2 3.86Å; V258-L264 CarbonylContact O-C 3.58Å; V258-L264 WeakPolarHBondContact O-CA 3.36Å; Y259-L264 HydrophobicContact CD2-CD2 3.94Å; Y259-L264 HydrophobicContact CG-CD2 4.37Å; L264-V401 CarbonylContact O-C 3.47Å; L264-V401 WeakPolarHBondContact O-CA 3.44Å; L264-Y402 HydrophobicContact CD1-CD1 4.25Å; L264-Y402 PolarHBondContact N-O 3.29Å; L264-Y402 PolarHBondContact O-N 3.28Å; L264-L404 HydrophobicContact CD1-CD1 4Å; L264-L404 HydrophobicContact CD1-CD2 4.22Å; L264-L404 HydrophobicContact CD1-CG 4.15Å; L264-L404 HydrophobicContact CD2-CD1 4.12Å; L264-L404 HydrophobicContact CG-CD1 3.7Å; L264-L404 HydrophobicContact CG-CG 4.14Å; L264-L415 HydrophobicContact CD1-CD1 4.07Å; L264-L490 HydrophobicContact CD1-CD2 3.74Å
265	Y	98.8	Very high	97.8	Very high	11 Å²	11	10.7 Å²	10.7	4%	0.043	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.4	170.4	-57.9	-101.5	0	0	0	107.5	E221 V224 M225 I228 V257 V258 L260 K263 V399 V401	E221-Y265 HydrophobicContact CG-CE1 4.03Å; V224-Y265 HydrophobicContact CB-CE1 3.93Å; V224-Y265 HydrophobicContact CG1-CD1 3.85Å; V224-Y265 HydrophobicContact CG1-CD2 4.26Å; V224-Y265 HydrophobicContact CG1-CE1 3.46Å; V224-Y265 VanDerWaalsContact CG1-CE1 3.46Å; V224-Y265 HydrophobicContact CG1-CE2 3.92Å; V224-Y265 HydrophobicContact CG1-CG 4.25Å; M225-Y265 HydrophobicContact CG-CD1 4.16Å; M225-Y265 HydrophobicContact CG-CE1 4.33Å; I228-Y265 HydrophobicContact CD1-CD1 4.22Å; I228-Y265 HydrophobicContact CD1-CG 3.96Å; V257-Y265 WeakPolarHBondContact CA-O 3.42Å; V258-Y265 PolarHBondContact N-O 3.29Å; V258-Y265 PolarHBondContact O-N 3.28Å; L260-Y265 HydrophobicContact CB-CE2 4.13Å; K263-Y265 HydrophobicContact CB-CD2 4.38Å; K263-Y265 HydrophobicContact CB-CE2 3.7Å; Y265-V399 HydrophobicContact CD1-CG1 4.43Å; Y265-V401 HydrophobicContact CD1-CG1 4.35Å; Y265-V401 HydrophobicContact CD1-CG2 3.65Å; Y265-V401 HydrophobicContact CE1-CG1 4.18Å; Y265-V401 HydrophobicContact CE1-CG2 3.84Å
266	V	98.9	Very high	97.8	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.2	-178.2	-171	0	0	0	0	108.2	L255 A256 V257 A274 M285 T286 V399 K400 L415	L255-V266 HydrophobicContact CD1-CG1 4.05Å; A256-V266 CarbonylContact O-C 3.44Å; A256-V266 WeakPolarHBondContact O-CA 3.48Å; V257-V266 HydrophobicContact CG2-CB 4.49Å; V257-V266 HydrophobicContact CG2-CG1 4.04Å; V257-V266 HydrophobicContact CG2-CG2 4.13Å; V266-A274 HydrophobicContact CG1-CB 4.08Å; V266-M285 HydrophobicContact CB-CB 4.3Å; V266-M285 HydrophobicContact CB-CE 4.28Å; V266-M285 HydrophobicContact CG1-CB 4.1Å; V266-M285 HydrophobicContact CG2-CB 4.16Å; V266-M285 HydrophobicContact CG2-CE 3.7Å; V266-M285 HydrophobicContact CG2-CG 4.48Å; V266-T286 HydrophobicContact CG1-CG2 3.59Å; V266-V399 CarbonylContact O-C 3.41Å; V266-V399 WeakPolarHBondContact O-CA 3.29Å; V266-K400 PolarHBondContact N-O 3.44Å; V266-K400 PolarHBondContact O-N 2.67Å; V266-L415 HydrophobicContact CG2-CD1 4.17Å
267	A	98.9	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.8	-176.4	0	0	0	0	0	110.5	I228 F232 L255 A256 P397 E398 V399	I228-A267 HydrophobicContact CG2-CB 3.73Å; F232-A267 HydrophobicContact CE2-CB 3.95Å; F232-A267 HydrophobicContact CZ-CB 4Å; L255-A267 WeakPolarHBondContact CA-O 3.13Å; A256-A267 PolarHBondContact N-O 3.3Å; A256-A267 PolarHBondContact O-N 2.91Å; A267-P397 HydrophobicContact CB-CB 4.01Å; A267-P397 HydrophobicContact CB-CG 4.19Å; A267-E398 CarbonylContact C-O 3.57Å; A267-E398 VanDerWaalsContact CA-O 3.32Å; A267-E398 WeakPolarHBondContact CA-O 3.24Å; A267-V399 HydrophobicContact CB-CG2 3.92Å
268	N	98.8	Very high	97.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130	-179.6	-169.7	41.6	0	0	0	112.9	L255 G270 S272 T286 N287 F289 P397 E398	L255-N268 HydrophobicContact CD1-CB 4.02Å; N268-G270 PolarHBondContact ND2-O 3.01Å; N268-S272 PolarHBondContact ND2-O 3.01Å; N268-S272 VanDerWaalsContact ND2-O 3.14Å; N268-S272 PolarHBondContact OD1-O 3.48Å; N268-T286 HydrophobicContact CB-CG2 3.66Å; N268-N287 PolarHBondContact ND2-O 3.37Å; N268-F289 HydrophobicContact CB-CE2 4.47Å; N268-F289 WeakPolarHBondContact O-CE2 3.43Å; N268-P397 CarbonylContact O-C 3.59Å; N268-P397 WeakPolarHBondContact O-CA 3.02Å; N268-P397 WeakPolarHBondContact O-CB 3.39Å; N268-E398 PolarHBondContact N-O 2.96Å; N268-E398 PolarHBondContact O-N 2.95Å
269	A	98.7	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	91.9	168.5	0	0	0	0	0	109.1	F232 C253 A254 R373 P397	F232-A269 HydrophobicContact CD1-CB 4.14Å; F232-A269 HydrophobicContact CE1-CB 4.01Å; C253-A269 CarbonylContact C-O 3.57Å; C253-A269 VanDerWaalsContact CA-O 3.32Å; C253-A269 WeakPolarHBondContact CA-O 3.28Å; A254-A269 PolarHBondContact N-O 2.83Å; A254-A269 PolarHBondContact O-N 2.98Å; A269-R373 HydrophobicContact CB-CB 4.18Å; A269-P397 HydrophobicContact CB-CB 4.23Å
270	G	98.1	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	143.2	-155	-178.5	0	0	0	0	0	112.7	C253 N268 F289 R373	C253-G270 VanDerWaalsContact SG-CA 3.54Å; N268-G270 PolarHBondContact ND2-O 3.01Å; G270-F289 WeakPolarHBondContact O-CD2 3.19Å; G270-F289 PolarHBondContact O-N 2.85Å; G270-R373 WeakPolarHBondContact CA-O 3.13Å
271	D	97.8	Very high	96.5	Very high	23 Å²	23	29.5 Å²	29.5	12%	0.123	14%	0.143	C	C	.	.	S	Bend	trans	-111.6	2.4	178.6	55.6	0.3	0	0	0	114	C253 E288 V371	C253-D271 PolarHBondContact SG-OD1 2.76Å; D271-E288 HydrophobicContact CB-CB 4.45Å; D271-V371 HydrophobicContact CB-CG1 4.17Å; D271-V371 VanDerWaalsContact CG-CG1 3.41Å; D271-V371 WeakPolarHBondContact OD2-CG1 3.11Å
272	S	98.3	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.			trans	-57.6	152.8	158	-63.8	0	0	0	0	110.6	N268	N268-S272 PolarHBondContact ND2-O 3.01Å; N268-S272 VanDerWaalsContact ND2-O 3.14Å; N268-S272 PolarHBondContact OD1-O 3.48Å
273	R	98.1	Very high	97	Very high	45 Å²	45	29.9 Å²	29.9	17%	0.17	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.5	-172.4	-166	-167.5	-60.9	-174	2.1	112.8	L255 T286 E288 G418 W423 D428	L255-R273 WeakPolarHBondContact CD2-O 3.1Å; R273-T286 WeakPolarHBondContact CA-OG1 3.41Å; R273-T286 WeakPolarHBondContact CG-OG1 3.32Å; R273-E288 IonicContact CZ-OE1 2.66Å; R273-E288 IonicContact NE-OE1 3.19Å; R273-E288 PolarHBondContact NE-OE1 3.23Å; R273-E288 IonicContact NH2-OE1 2.65Å; R273-E288 PolarHBondContact NH2-OE1 3.07Å; R273-E288 IonicContact NH2-OE2 2.61Å; R273-E288 PolarHBondContact NH2-OE2 2.85Å; R273-G418 PolarHBondContact N-O 3.39Å; R273-G418 PolarHBondContact O-N 3.08Å; R273-W423 HydrophobicContact CB-CD2 3.92Å; R273-W423 HydrophobicContact CB-CG 3.94Å; R273-W423 HydrophobicContact CB-CZ2 4.23Å; R273-W423 HydrophobicContact CG-CD2 4.45Å; R273-W423 VanDerWaalsContact O-CZ2 3.32Å; R273-W423 WeakPolarHBondContact O-CZ2 3.37Å; R273-W423 PolarHBondContact O-NE1 2.72Å; R273-D428 IonicContact CZ-OD1 2.91Å; R273-D428 IonicContact NH1-OD1 2.79Å; R273-D428 PolarHBondContact NH1-OD1 2.87Å; R273-D428 IonicContact NH1-OD2 2.64Å
274	A	98.8	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142	169	0	0	0	0	0	112.7	L255 V266 M285 T286 L415 V416 M417	L255-A274 HydrophobicContact CD1-CB 4.34Å; L255-A274 HydrophobicContact CD2-CB 4.13Å; V266-A274 HydrophobicContact CG1-CB 4.08Å; A274-M285 HydrophobicContact CB-CB 4.31Å; A274-M285 PolarHBondContact O-N 3.04Å; A274-T286 HydrophobicContact CB-CG2 4.02Å; A274-T286 PolarHBondContact N-OG1 2.91Å; A274-T286 PolarHBondContact O-OG1 3.45Å; A274-L415 HydrophobicContact CB-CD2 4.13Å; A274-V416 CarbonylContact C-O 3.52Å; A274-V416 WeakPolarHBondContact CA-O 3.35Å; A274-M417 HydrophobicContact CB-CG 4.17Å
275	I	98.8	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.9	172.2	68	178.2	0	0	0	109.8	I277 V282 L415 V416 W423 D428 V431	I275-I277 HydrophobicContact CD1-CG1 4.26Å; I275-I277 HydrophobicContact CG1-CG1 4.45Å; I275-V282 HydrophobicContact CB-CG1 4.21Å; I275-V282 HydrophobicContact CD1-CG1 4.18Å; I275-V282 HydrophobicContact CG2-CG1 4.33Å; I275-L415 CarbonylContact O-C 3.58Å; I275-L415 WeakPolarHBondContact O-CA 3.01Å; I275-V416 HydrophobicContact CG1-CB 4.12Å; I275-V416 PolarHBondContact N-O 3.32Å; I275-V416 PolarHBondContact O-N 2.73Å; I275-W423 HydrophobicContact CD1-CH2 4.04Å; I275-W423 HydrophobicContact CD1-CZ3 4.17Å; I275-W423 HydrophobicContact CG1-CH2 4.03Å; I275-W423 HydrophobicContact CG2-CH2 4.32Å; I275-D428 HydrophobicContact CD1-CB 4.21Å; I275-D428 HydrophobicContact CG2-CB 4.43Å; I275-V431 HydrophobicContact CD1-CB 4.3Å; I275-V431 HydrophobicContact CD1-CG1 3.98Å
276	I	98.7	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.1	163.2	-74.3	169.4	0	0	0	108.1	R278 I283 M285 Y402 V414 L415 L490	I276-R278 HydrophobicContact CG2-CB 3.96Å; I276-I283 HydrophobicContact CB-CB 4.12Å; I276-I283 HydrophobicContact CG2-CB 4.48Å; I276-I283 HydrophobicContact CG2-CD1 4.15Å; I276-I283 PolarHBondContact N-O 2.9Å; I276-I283 PolarHBondContact O-N 2.86Å; I276-M285 HydrophobicContact CB-CG 4.41Å; I276-M285 HydrophobicContact CD1-CG 3.83Å; I276-M285 HydrophobicContact CD1-SD 3.86Å; I276-M285 HydrophobicContact CG1-CG 3.82Å; I276-M285 HydrophobicContact CG1-SD 4.46Å; I276-Y402 HydrophobicContact CD1-CD1 3.72Å; I276-Y402 HydrophobicContact CD1-CD2 3.55Å; I276-Y402 HydrophobicContact CD1-CE1 3.97Å; I276-Y402 HydrophobicContact CD1-CE2 3.81Å; I276-Y402 HydrophobicContact CD1-CG 3.49Å; I276-Y402 VanDerWaalsContact CD1-CG 3.49Å; I276-V414 WeakPolarHBondContact CA-O 3.16Å; I276-L415 HydrophobicContact CD1-CD1 4.45Å; I276-L415 HydrophobicContact CG1-CB 4.05Å; I276-L415 HydrophobicContact CG1-CD1 4.09Å; I276-L415 HydrophobicContact CG1-CG 4.02Å; I276-L490 HydrophobicContact CD1-CD1 4.42Å; I276-L490 HydrophobicContact CG1-CD1 4.23Å; I276-L490 HydrophobicContact CG2-CD1 3.69Å
277	I	98.4	Very high	97	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.2	167.3	-57	160.7	0	0	0	105.9	I275 E281 D413 V414 V416 A432 V435	I275-I277 HydrophobicContact CD1-CG1 4.26Å; I275-I277 HydrophobicContact CG1-CG1 4.45Å; I277-E281 WeakPolarHBondContact CA-O 3.4Å; I277-D413 CarbonylContact O-C 3.59Å; I277-D413 VanDerWaalsContact O-CA 3.27Å; I277-D413 WeakPolarHBondContact O-CA 3.15Å; I277-V414 HydrophobicContact CB-CG2 4.22Å; I277-V414 HydrophobicContact CD1-CG2 4.04Å; I277-V414 PolarHBondContact N-O 3.32Å; I277-V414 PolarHBondContact O-N 2.79Å; I277-V416 HydrophobicContact CD1-CG2 3.61Å; I277-V416 HydrophobicContact CG1-CG2 4.43Å; I277-A432 HydrophobicContact CD1-CB 4.1Å; I277-A432 HydrophobicContact CG1-CB 3.96Å; I277-A432 HydrophobicContact CG2-CB 4.44Å; I277-V435 HydrophobicContact CD1-CB 3.82Å; I277-V435 HydrophobicContact CD1-CG1 3.94Å; I277-V435 HydrophobicContact CD1-CG2 4.32Å
278	R	96	Very high	96.8	Very high	45 Å²	45	38 Å²	38	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.7	179.1	-177.3	-169.1	64.2	-171.7	2.4	110.4	I276 N280 E281 Y402 N407 D413	I276-R278 HydrophobicContact CG2-CB 3.96Å; R278-N280 PolarHBondContact O-N 2.66Å; R278-E281 PolarHBondContact N-O 3.03Å; R278-E281 WeakPolarHBondContact O-CB 3.37Å; R278-E281 PolarHBondContact O-N 3.08Å; R278-Y402 PolarHBondContact NH1-OH 3.45Å; R278-N407 PolarHBondContact NH1-OD1 2.88Å; R278-D413 WeakPolarHBondContact CA-OD1 3.4Å; R278-D413 HydrophobicContact CB-CB 4.47Å; R278-D413 HydrophobicContact CG-CB 4.3Å
279	N	90.1	Very high	96.8	Very high	114 Å²	114	38.2 Å²	38.2	61%	0.61	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.6	-176.5	-62.4	-41.6	0	0	0	112.6	E281 D413	N279-E281 PolarHBondContact O-N 3Å; N279-D413 PolarHBondContact N-OD1 2.92Å
280	N	84	Confident	96.7	Very high	128 Å²	128	39.6 Å²	39.6	68%	0.684	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	13.8	-172.7	-62.3	-37.2	0	0	0	115.7	R278 S436	R278-N280 PolarHBondContact O-N 2.66Å; N280-S436 WeakPolarHBondContact OD1-CB 3.47Å; N280-S436 PolarHBondContact OD1-OG 2.85Å
281	E	94.8	Very high	96.7	Very high	123 Å²	123	39.7 Å²	39.7	58%	0.575	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	145.6	169.2	-62.1	-170.9	152.6	0	0	110.9	I277 R278 N279	I277-E281 WeakPolarHBondContact CA-O 3.4Å; R278-E281 PolarHBondContact N-O 3.03Å; R278-E281 WeakPolarHBondContact O-CB 3.37Å; R278-E281 PolarHBondContact O-N 3.08Å; N279-E281 PolarHBondContact O-N 3Å
282	V	98.1	Very high	96.6	Very high	51 Å²	51	42.6 Å²	42.6	31%	0.309	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.2	176.7	176.8	0	0	0	0	109.4	I275 D428 A432	I275-V282 HydrophobicContact CB-CG1 4.21Å; I275-V282 HydrophobicContact CD1-CG1 4.18Å; I275-V282 HydrophobicContact CG2-CG1 4.33Å; V282-D428 HydrophobicContact CG1-CB 3.89Å; V282-A432 HydrophobicContact CG2-CB 3.45Å; V282-A432 VanDerWaalsContact CG2-CB 3.45Å
283	I	98.1	Very high	96.5	Very high	35 Å²	35	45.8 Å²	45.8	18%	0.179	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	103.6	173.8	-54.2	171.3	0	0	0	107.3	I276 M285 Y402	I276-I283 HydrophobicContact CB-CB 4.12Å; I276-I283 HydrophobicContact CG2-CB 4.48Å; I276-I283 HydrophobicContact CG2-CD1 4.15Å; I276-I283 PolarHBondContact N-O 2.9Å; I276-I283 PolarHBondContact O-N 2.86Å; I283-M285 HydrophobicContact CG2-SD 4.13Å; I283-M285 PolarHBondContact O-N 2.99Å; I283-Y402 HydrophobicContact CD1-CE2 4.3Å
284	P	98.3	Very high	96.4	Very high	62 Å²	62	45 Å²	45	40%	0.403	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	128.8	176.5	-22.2	33.3	0	0	0	110.4	K400	P284-K400 PolarHBondContact O-NZ 2.87Å
285	M	98.6	Very high	96.4	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.242	C	C	.	.			trans	-104	-10.6	-179.7	-70.3	-54	-60.2	0	0	113.8	V266 A274 I276 I283 K400 Y402	V266-M285 HydrophobicContact CB-CB 4.3Å; V266-M285 HydrophobicContact CB-CE 4.28Å; V266-M285 HydrophobicContact CG1-CB 4.1Å; V266-M285 HydrophobicContact CG2-CB 4.16Å; V266-M285 HydrophobicContact CG2-CE 3.7Å; V266-M285 HydrophobicContact CG2-CG 4.48Å; A274-M285 HydrophobicContact CB-CB 4.31Å; A274-M285 PolarHBondContact O-N 3.04Å; I276-M285 HydrophobicContact CB-CG 4.41Å; I276-M285 HydrophobicContact CD1-CG 3.83Å; I276-M285 HydrophobicContact CD1-SD 3.86Å; I276-M285 HydrophobicContact CG1-CG 3.82Å; I276-M285 HydrophobicContact CG1-SD 4.46Å; I283-M285 HydrophobicContact CG2-SD 4.13Å; I283-M285 PolarHBondContact O-N 2.99Å; M285-K400 HydrophobicContact CE-CB 4.11Å; M285-K400 HydrophobicContact CE-CD 3.96Å; M285-K400 HydrophobicContact CE-CG 3.76Å; M285-K400 WeakPolarHBondContact O-CB 3.46Å; M285-K400 HydrophobicContact SD-CD 4.18Å; M285-Y402 HydrophobicContact SD-CD2 4.45Å
286	T	98.4	Very high	96.3	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	26%	0.261	C	S	.	.			trans	-144	152.4	-177.6	58.3	0	0	0	0	111.4	L255 V266 N268 R273 A274	L255-T286 HydrophobicContact CD1-CG2 3.68Å; V266-T286 HydrophobicContact CG1-CG2 3.59Å; N268-T286 HydrophobicContact CB-CG2 3.66Å; R273-T286 WeakPolarHBondContact CA-OG1 3.41Å; R273-T286 WeakPolarHBondContact CG-OG1 3.32Å; A274-T286 HydrophobicContact CB-CG2 4.02Å; A274-T286 PolarHBondContact N-OG1 2.91Å; A274-T286 PolarHBondContact O-OG1 3.45Å
287	N	96.4	Very high	96.3	Very high	95 Å²	95	53.4 Å²	53.4	51%	0.508	27%	0.274	S	S	.	.			trans	-103.4	153.9	163.5	-63	-65.8	0	0	0	110.7	N268 F289 E398	N268-N287 PolarHBondContact ND2-O 3.37Å; N287-F289 WeakPolarHBondContact O-CE2 3.4Å; N287-E398 PolarHBondContact ND2-OE1 2.89Å
288	E	95.7	Very high	96.3	Very high	63 Å²	63	53.3 Å²	53.3	29%	0.294	27%	0.274	S	S	.	.			trans	-85.2	138.5	173.4	-62.6	177.7	151.8	0	0	111.6	D271 R273 T290 S293	D271-E288 HydrophobicContact CB-CB 4.45Å; R273-E288 IonicContact CZ-OE1 2.66Å; R273-E288 IonicContact NE-OE1 3.19Å; R273-E288 PolarHBondContact NE-OE1 3.23Å; R273-E288 IonicContact NH2-OE1 2.65Å; R273-E288 PolarHBondContact NH2-OE1 3.07Å; R273-E288 IonicContact NH2-OE2 2.61Å; R273-E288 PolarHBondContact NH2-OE2 2.85Å; E288-T290 HydrophobicContact CB-CG2 4.18Å; E288-S293 WeakPolarHBondContact O-CB 3.37Å; E288-S293 PolarHBondContact O-OG 3.17Å
289	F	97.8	Very high	96.4	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.026	27%	0.266	C	S	.	.			trans	-106.3	73.6	-178.2	-65.1	-71.6	0	0	0	112.2	N268 G270 N287 E294 T372 R373 E398	N268-F289 HydrophobicContact CB-CE2 4.47Å; N268-F289 WeakPolarHBondContact O-CE2 3.43Å; G270-F289 WeakPolarHBondContact O-CD2 3.19Å; G270-F289 PolarHBondContact O-N 2.85Å; N287-F289 WeakPolarHBondContact O-CE2 3.4Å; F289-E294 HydrophobicContact CB-CG 4.44Å; F289-E294 HydrophobicContact CD1-CG 3.85Å; F289-T372 PolarHBondContact O-N 3.22Å; F289-T372 PolarHBondContact O-OG1 3.34Å; F289-R373 HydrophobicContact CB-CB 3.91Å; F289-R373 HydrophobicContact CB-CG 3.76Å; F289-R373 HydrophobicContact CD1-CG 4.22Å; F289-R373 VanDerWaalsContact CD1-NE 3.35Å; F289-R373 HydrophobicContact CD2-CB 4.48Å; F289-R373 HydrophobicContact CD2-CG 4.49Å; F289-R373 VanDerWaalsContact CE1-CZ 3.45Å; F289-R373 HydrophobicContact CG-CB 4.22Å; F289-R373 HydrophobicContact CG-CG 3.89Å; F289-E398 HydrophobicContact CE2-CB 3.98Å; F289-E398 HydrophobicContact CZ-CB 3.5Å; F289-E398 VanDerWaalsContact CZ-CB 3.5Å; F289-E398 HydrophobicContact CZ-CG 4.4Å
290	T	97.3	Very high	96.8	Very high	29 Å²	29	51.5 Å²	51.5	18%	0.178	26%	0.259	C	S	.	.			trans	-96.7	167.1	179.7	73.5	0	0	0	0	111.6	E288 E292 S293 E294 T372	E288-T290 HydrophobicContact CB-CG2 4.18Å; T290-E292 PolarHBondContact O-N 2.86Å; T290-E292 PolarHBondContact OG1-N 2.81Å; T290-S293 PolarHBondContact N-OG 3.05Å; T290-S293 PolarHBondContact O-N 3.12Å; T290-S293 PolarHBondContact O-OG 3.09Å; T290-S293 PolarHBondContact OG1-N 2.88Å; T290-S293 PolarHBondContact OG1-OG 3.12Å; T290-E294 PolarHBondContact O-N 2.96Å; T290-T372 VanDerWaalsContact C-CG2 3.43Å; T290-T372 WeakPolarHBondContact O-CG2 3.32Å
291	P	97.8	Very high	97.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.7	174.2	-29.3	34.6	0	0	0	113.6	R295 L298 I356 A363 V365 G370 T372	P291-R295 WeakPolarHBondContact O-CA 3.32Å; P291-R295 PolarHBondContact O-N 2.79Å; P291-R295 VanDerWaalsContact O-N 3.14Å; P291-L298 HydrophobicContact CB-CD1 4.38Å; P291-I356 HydrophobicContact CB-CG1 4.21Å; P291-I356 HydrophobicContact CB-CG2 3.74Å; P291-I356 VanDerWaalsContact O-CD1 3.31Å; P291-I356 WeakPolarHBondContact O-CD1 3.25Å; P291-A363 HydrophobicContact CB-CB 4.18Å; P291-A363 HydrophobicContact CG-CB 4.37Å; P291-V365 HydrophobicContact CB-CG2 4.24Å; P291-V365 HydrophobicContact CG-CG2 3.92Å; P291-G370 WeakPolarHBondContact CD-O 3.35Å; P291-T372 HydrophobicContact CB-CG2 4.38Å; P291-T372 HydrophobicContact CG-CG2 4.1Å
292	E	95.8	Very high	97.6	Very high	85 Å²	85	41.4 Å²	41.4	40%	0.397	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-44.9	179.6	-67.5	-176.3	140.5	0	0	112.2	T290 E294 R295 E359 G360 A363	T290-E292 PolarHBondContact O-N 2.86Å; T290-E292 PolarHBondContact OG1-N 2.81Å; E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 3.13Å; E292-R295 WeakPolarHBondContact O-CB 3.36Å; E292-R295 PolarHBondContact O-N 3.46Å; E292-E359 WeakPolarHBondContact OE1-CA 3.21Å; E292-G360 PolarHBondContact OE1-N 3.08Å; E292-G360 WeakPolarHBondContact OE2-CA 3.01Å; E292-G360 PolarHBondContact OE2-N 2.92Å; E292-A363 HydrophobicContact CG-CB 3.84Å
293	S	96.2	Very high	97.6	Very high	66 Å²	66	43.9 Å²	43.9	46%	0.462	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.7	-179.9	65.5	0	0	0	0	111.8	E288 T290	E288-S293 WeakPolarHBondContact O-CB 3.37Å; E288-S293 PolarHBondContact O-OG 3.17Å; T290-S293 PolarHBondContact N-OG 3.05Å; T290-S293 PolarHBondContact O-N 3.12Å; T290-S293 PolarHBondContact O-OG 3.09Å; T290-S293 PolarHBondContact OG1-N 2.88Å; T290-S293 PolarHBondContact OG1-OG 3.12Å
294	E	97.6	Very high	97.6	Very high	30 Å²	30	46.4 Å²	46.4	14%	0.14	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	15	-179.8	-67.5	-85.7	104.1	0	0	113.1	F289 T290 E292 Q296 R297 L298 T372 R373	F289-E294 HydrophobicContact CB-CG 4.44Å; F289-E294 HydrophobicContact CD1-CG 3.85Å; T290-E294 PolarHBondContact O-N 2.96Å; E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 3.13Å; E294-Q296 VanDerWaalsContact C-N 3.32Å; E294-Q296 PolarHBondContact O-N 2.59Å; E294-R297 WeakPolarHBondContact O-CB 3.47Å; E294-R297 PolarHBondContact O-N 3.22Å; E294-R297 WeakPolarHBondContact OE2-CD 3.47Å; E294-R297 IonicContact OE2-CZ 3.24Å; E294-R297 IonicContact OE2-NE 3.97Å; E294-R297 PolarHBondContact OE2-NE 3.45Å; E294-R297 IonicContact OE2-NH2 3.62Å; E294-L298 WeakPolarHBondContact O-CG 3.42Å; E294-L298 PolarHBondContact O-N 3.35Å; E294-T372 HydrophobicContact CB-CG2 4.33Å; E294-T372 WeakPolarHBondContact CG-OG1 3.35Å; E294-R373 IonicContact OE1-NH2 2.63Å; E294-R373 PolarHBondContact OE1-NH2 3.31Å; E294-R373 IonicContact OE2-CZ 2.88Å; E294-R373 IonicContact OE2-NE 3.4Å; E294-R373 PolarHBondContact OE2-NE 3.33Å; E294-R373 VanDerWaalsContact OE2-NE 3.12Å; E294-R373 IonicContact OE2-NH2 3.8Å; E294-R373 PolarHBondContact OE2-NH2 3.17Å
295	R	97.6	Very high	97.6	Very high	19 Å²	19	49.2 Å²	49.2	7%	0.072	23%	0.232	C	C	.	.	H	α-helix	trans	-47.4	-51.2	-175.1	174.3	-166.9	63.2	87.9	0.5	113	P291 E292 R297 L298 Q299 E317 D335 M338 I356	P291-R295 WeakPolarHBondContact O-CA 3.32Å; P291-R295 PolarHBondContact O-N 2.79Å; P291-R295 VanDerWaalsContact O-N 3.14Å; E292-R295 WeakPolarHBondContact O-CB 3.36Å; E292-R295 PolarHBondContact O-N 3.46Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.45Å; R295-L298 PolarHBondContact O-N 3.08Å; R295-Q299 HydrophobicContact CG-CG 4.13Å; R295-Q299 WeakPolarHBondContact O-CB 3.2Å; R295-Q299 VanDerWaalsContact O-CG 3.31Å; R295-Q299 WeakPolarHBondContact O-CG 3.35Å; R295-Q299 PolarHBondContact O-N 3.45Å; R295-E317 WeakPolarHBondContact CD-OE2 3.39Å; R295-D335 PolarHBondContact NH1-O 2.85Å; R295-M338 PolarHBondContact NH1-O 2.97Å; R295-M338 PolarHBondContact NH2-O 2.92Å; R295-I356 HydrophobicContact CB-CD1 3.76Å; R295-I356 HydrophobicContact CG-CD1 3.59Å
296	Q	97.3	Very high	97.5	Very high	82 Å²	82	52.8 Å²	52.8	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-39	-175.8	-67	-172.6	-77	0	0	111.9	E294 Y300 H336	E294-Q296 VanDerWaalsContact C-N 3.32Å; E294-Q296 PolarHBondContact O-N 2.59Å; Q296-Y300 WeakPolarHBondContact O-CB 3.23Å; Q296-Y300 PolarHBondContact O-N 2.89Å; Q296-H336 WeakPolarHBondContact CG-O 3.31Å; Q296-H336 PolarHBondContact NE2-O 2.63Å
297	R	97.6	Very high	97.4	Very high	74 Å²	74	57.5 Å²	57.5	28%	0.279	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-47.2	175.5	-175.9	-173.8	66.4	78.3	-3.5	110.9	E294 R295 Y300 L301 T372 F392	E294-R297 WeakPolarHBondContact O-CB 3.47Å; E294-R297 PolarHBondContact O-N 3.22Å; E294-R297 WeakPolarHBondContact OE2-CD 3.47Å; E294-R297 IonicContact OE2-CZ 3.24Å; E294-R297 IonicContact OE2-NE 3.97Å; E294-R297 PolarHBondContact OE2-NE 3.45Å; E294-R297 IonicContact OE2-NH2 3.62Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.45Å; R297-Y300 PolarHBondContact O-N 2.8Å; R297-L301 PolarHBondContact O-N 3.34Å; R297-T372 PolarHBondContact NH2-O 2.88Å; R297-T372 VanDerWaalsContact NH2-O 3.12Å; R297-F392 PolarHBondContact NH1-O 3.14Å; R297-F392 PolarHBondContact NH2-O 3.17Å
298	L	98.4	Very high	97.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-50.2	179.6	-65.4	177.4	0	0	0	111.6	P291 E294 R295 Y300 L301 G302 L355 I356 V365 T372 F392	P291-L298 HydrophobicContact CB-CD1 4.38Å; E294-L298 WeakPolarHBondContact O-CG 3.42Å; E294-L298 PolarHBondContact O-N 3.35Å; R295-L298 PolarHBondContact O-N 3.08Å; L298-Y300 VanDerWaalsContact C-N 3.32Å; L298-Y300 PolarHBondContact O-N 2.92Å; L298-L301 PolarHBondContact O-N 3.05Å; L298-G302 PolarHBondContact O-N 2.75Å; L298-L355 HydrophobicContact CB-CD2 4.01Å; L298-L355 VanDerWaalsContact O-CD2 3.26Å; L298-L355 WeakPolarHBondContact O-CD2 3.06Å; L298-I356 HydrophobicContact CB-CD1 4.48Å; L298-I356 HydrophobicContact CD1-CD1 3.97Å; L298-I356 HydrophobicContact CD1-CG1 3.96Å; L298-V365 HydrophobicContact CD1-CG2 3.85Å; L298-V365 HydrophobicContact CD2-CG2 4.48Å; L298-T372 HydrophobicContact CD1-CG2 3.82Å; L298-T372 HydrophobicContact CD2-CG2 4.37Å; L298-T372 HydrophobicContact CG-CG2 4.47Å; L298-F392 HydrophobicContact CD2-CB 3.88Å; L298-F392 HydrophobicContact CD2-CD1 4Å; L298-F392 HydrophobicContact CD2-CG 4.43Å
299	Q	98.3	Very high	97.6	Very high	3 Å²	3	52 Å²	52	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-39.1	179.2	-67	-176.8	-50.5	0	0	111.6	R295 L301 G302 F303 H315 H336	R295-Q299 HydrophobicContact CG-CG 4.13Å; R295-Q299 WeakPolarHBondContact O-CB 3.2Å; R295-Q299 VanDerWaalsContact O-CG 3.31Å; R295-Q299 WeakPolarHBondContact O-CG 3.35Å; R295-Q299 PolarHBondContact O-N 3.45Å; Q299-L301 PolarHBondContact O-N 3.05Å; Q299-G302 CarbonylContact O-C 3.53Å; Q299-G302 PolarHBondContact O-N 3.4Å; Q299-F303 WeakPolarHBondContact O-CB 3.37Å; Q299-F303 PolarHBondContact O-N 3.43Å; Q299-H315 HydrophobicContact CB-CB 4.27Å; Q299-H315 VanDerWaalsContact CD-O 3.24Å; Q299-H315 WeakPolarHBondContact CG-O 2.93Å; Q299-H315 PolarHBondContact NE2-O 3.03Å; Q299-H315 WeakPolarHBondContact O-CB 3.01Å; Q299-H336 HydrophobicContact CB-CB 3.6Å
300	Y	98.5	Very high	97.4	Very high	117 Å²	117	53.4 Å²	53.4	46%	0.459	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-41.3	177.1	-178.1	-126.8	0	0	0	111.9	Q296 R297 L298 F303 L304 H336	Q296-Y300 WeakPolarHBondContact O-CB 3.23Å; Q296-Y300 PolarHBondContact O-N 2.89Å; R297-Y300 PolarHBondContact O-N 2.8Å; L298-Y300 VanDerWaalsContact C-N 3.32Å; L298-Y300 PolarHBondContact O-N 2.92Å; Y300-F303 HydrophobicContact CD2-CD1 4.29Å; Y300-F303 HydrophobicContact CE2-CD1 4.4Å; Y300-F303 WeakPolarHBondContact O-CB 3.3Å; Y300-F303 PolarHBondContact O-N 2.73Å; Y300-L304 HydrophobicContact CD1-CD1 4.09Å; Y300-L304 HydrophobicContact CD2-CD1 4.41Å; Y300-L304 HydrophobicContact CD2-CG 4.18Å; Y300-L304 HydrophobicContact CE1-CD1 3.55Å; Y300-L304 HydrophobicContact CE1-CG 4.33Å; Y300-L304 HydrophobicContact CE2-CD1 3.93Å; Y300-L304 HydrophobicContact CE2-CD2 4.02Å; Y300-L304 HydrophobicContact CE2-CG 3.82Å; Y300-L304 HydrophobicContact CG-CD1 4.5Å; Y300-L304 VanDerWaalsContact CZ-CD1 3.47Å; Y300-L304 WeakPolarHBondContact O-CG 3.44Å; Y300-L304 PolarHBondContact O-N 3.34Å; Y300-H336 AromaticContact CD2-CE1 3.44Å; Y300-H336 VanDerWaalsContact CD2-CE1 3.44Å; Y300-H336 WeakPolarHBondContact CD2-CE1 3.48Å; Y300-H336 AromaticContact CD2-ND1 3.39Å; Y300-H336 WeakPolarHBondContact CD2-ND1 3.33Å; Y300-H336 AromaticContact CE2-CE1 3.92Å
301	L	98.4	Very high	97.3	Very high	40 Å²	40	57.7 Å²	57.7	21%	0.209	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-45.1	173.1	179.1	60.7	0	0	0	111.5	R297 L298 Q299 F303 L304 R305 L308 P391 F392	R297-L301 PolarHBondContact O-N 3.34Å; L298-L301 PolarHBondContact O-N 3.05Å; Q299-L301 PolarHBondContact O-N 3.05Å; L301-F303 VanDerWaalsContact C-N 3.26Å; L301-F303 PolarHBondContact O-N 3.15Å; L301-L304 PolarHBondContact O-N 3.21Å; L301-R305 HydrophobicContact CD1-CB 4.34Å; L301-R305 HydrophobicContact CD1-CG 4.02Å; L301-R305 PolarHBondContact O-N 3.15Å; L301-L308 HydrophobicContact CD1-CD1 4.08Å; L301-L308 HydrophobicContact CD2-CD1 4.28Å; L301-L308 HydrophobicContact CG-CD1 4.09Å; L301-P391 WeakPolarHBondContact CD2-O 3.5Å; L301-F392 HydrophobicContact CB-CE1 4.35Å; L301-F392 HydrophobicContact CD2-CD1 3.75Å; L301-F392 HydrophobicContact CD2-CE1 3.94Å; L301-F392 HydrophobicContact CD2-CG 4.26Å; L301-F392 HydrophobicContact CG-CD1 4.38Å; L301-F392 HydrophobicContact CG-CE1 4.1Å
302	G	97.8	Very high	97.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-29.4	176.3	0	0	0	0	0	113.7	L298 Q299 P306	L298-G302 PolarHBondContact O-N 2.75Å; Q299-G302 CarbonylContact O-C 3.53Å; Q299-G302 PolarHBondContact O-N 3.4Å; G302-P306 WeakPolarHBondContact O-CA 3.32Å
303	F	97.7	Very high	97.2	Very high	102 Å²	102	58.4 Å²	58.4	45%	0.447	29%	0.29	S	S	.	.	H	α-helix	trans	-71.3	-47.8	171.7	169.4	-99.9	0	0	0	111.9	Q299 Y300 L301 H315 H336	Q299-F303 WeakPolarHBondContact O-CB 3.37Å; Q299-F303 PolarHBondContact O-N 3.43Å; Y300-F303 HydrophobicContact CD2-CD1 4.29Å; Y300-F303 HydrophobicContact CE2-CD1 4.4Å; Y300-F303 WeakPolarHBondContact O-CB 3.3Å; Y300-F303 PolarHBondContact O-N 2.73Å; L301-F303 VanDerWaalsContact C-N 3.26Å; L301-F303 PolarHBondContact O-N 3.15Å; F303-H315 AromaticContact CD2-NE2 3.74Å; F303-H336 AromaticContact CD1-NE2 3.6Å; F303-H336 AromaticContact CE1-NE2 3.99Å; F303-H336 AromaticContact CG-CD2 3.86Å; F303-H336 AromaticContact CG-NE2 3.69Å
304	L	98.2	Very high	97.2	Very high	88 Å²	88	55.5 Å²	55.5	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-70	-33.4	-179	-73.2	-177.8	0	0	0	113.4	Y300 L301	Y300-L304 HydrophobicContact CD1-CD1 4.09Å; Y300-L304 HydrophobicContact CD2-CD1 4.41Å; Y300-L304 HydrophobicContact CD2-CG 4.18Å; Y300-L304 HydrophobicContact CE1-CD1 3.55Å; Y300-L304 HydrophobicContact CE1-CG 4.33Å; Y300-L304 HydrophobicContact CE2-CD1 3.93Å; Y300-L304 HydrophobicContact CE2-CD2 4.02Å; Y300-L304 HydrophobicContact CE2-CG 3.82Å; Y300-L304 HydrophobicContact CG-CD1 4.5Å; Y300-L304 VanDerWaalsContact CZ-CD1 3.47Å; Y300-L304 WeakPolarHBondContact O-CG 3.44Å; Y300-L304 PolarHBondContact O-N 3.34Å; L301-L304 PolarHBondContact O-N 3.21Å
305	R	97.8	Very high	97.2	Very high	122 Å²	122	55.6 Å²	55.6	46%	0.46	27%	0.27	S	S	.	.			trans	-130.1	65.6	-173	-57.9	-63.8	-59.3	-77.4	-7.3	110.2	L301 E307 L308	L301-R305 HydrophobicContact CD1-CB 4.34Å; L301-R305 HydrophobicContact CD1-CG 4.02Å; L301-R305 PolarHBondContact O-N 3.15Å; R305-E307 VanDerWaalsContact CA-OE2 3.28Å; R305-E307 WeakPolarHBondContact CA-OE2 3.4Å; R305-E307 IonicContact CZ-OE1 2.71Å; R305-E307 IonicContact NE-OE1 3.26Å; R305-E307 PolarHBondContact NE-OE1 3.44Å; R305-E307 IonicContact NE-OE2 3.84Å; R305-E307 IonicContact NH2-OE1 3.47Å; R305-E307 PolarHBondContact NH2-OE1 3.43Å; R305-E307 PolarHBondContact O-N 2.91Å; R305-E307 VanDerWaalsContact O-N 3.12Å; R305-L308 HydrophobicContact CB-CD1 3.62Å; R305-L308 HydrophobicContact CB-CG 3.84Å; R305-L308 HydrophobicContact CG-CD1 4.33Å; R305-L308 WeakPolarHBondContact O-CB 3.42Å; R305-L308 PolarHBondContact O-N 2.89Å
306	P	96.6	Very high	97.1	Very high	76 Å²	76	55.8 Å²	55.8	49%	0.494	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-61.5	-21.6	-174.9	26.1	-35.5	0	0	0	113.6	G302 L308 L309	G302-P306 WeakPolarHBondContact O-CA 3.32Å; P306-L308 PolarHBondContact O-N 3.24Å; P306-L309 WeakPolarHBondContact O-CB 3.25Å; P306-L309 PolarHBondContact O-N 3.49Å
307	E	97.2	Very high	97.1	Very high	110 Å²	110	53.5 Å²	53.5	51%	0.514	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-62.5	-25.4	173.5	71.2	-84.6	-157.8	0	0	113.2	R305 L309 G310	R305-E307 VanDerWaalsContact CA-OE2 3.28Å; R305-E307 WeakPolarHBondContact CA-OE2 3.4Å; R305-E307 IonicContact CZ-OE1 2.71Å; R305-E307 IonicContact NE-OE1 3.26Å; R305-E307 PolarHBondContact NE-OE1 3.44Å; R305-E307 IonicContact NE-OE2 3.84Å; R305-E307 IonicContact NH2-OE1 3.47Å; R305-E307 PolarHBondContact NH2-OE1 3.43Å; R305-E307 PolarHBondContact O-N 2.91Å; R305-E307 VanDerWaalsContact O-N 3.12Å; E307-L309 PolarHBondContact O-N 2.83Å; E307-G310 PolarHBondContact O-N 2.97Å
308	L	97.6	Very high	97	Very high	36 Å²	36	51 Å²	51	19%	0.188	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.1	-16.1	174.9	-61	-180	0	0	0	112.6	L301 R305 P306 G310 I387 P391 F392	L301-L308 HydrophobicContact CD1-CD1 4.08Å; L301-L308 HydrophobicContact CD2-CD1 4.28Å; L301-L308 HydrophobicContact CG-CD1 4.09Å; R305-L308 HydrophobicContact CB-CD1 3.62Å; R305-L308 HydrophobicContact CB-CG 3.84Å; R305-L308 HydrophobicContact CG-CD1 4.33Å; R305-L308 WeakPolarHBondContact O-CB 3.42Å; R305-L308 PolarHBondContact O-N 2.89Å; P306-L308 PolarHBondContact O-N 3.24Å; L308-G310 VanDerWaalsContact C-N 3.34Å; L308-I387 VanDerWaalsContact O-CG2 3.22Å; L308-I387 WeakPolarHBondContact O-CG2 3.44Å; L308-P391 HydrophobicContact CD1-CB 3.84Å; L308-P391 HydrophobicContact CD2-CB 4.23Å; L308-P391 HydrophobicContact CD2-CG 4.12Å; L308-F392 HydrophobicContact CB-CE2 3.93Å; L308-F392 HydrophobicContact CB-CZ 3.86Å; L308-F392 HydrophobicContact CD1-CZ 4.47Å
309	L	97.4	Very high	96.9	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-89.6	-1.6	178.2	-56.6	177.2	0	0	0	112.6	P306 E307 N311 E312 F313 H315 L355 F392	P306-L309 WeakPolarHBondContact O-CB 3.25Å; P306-L309 PolarHBondContact O-N 3.49Å; E307-L309 PolarHBondContact O-N 2.83Å; L309-N311 PolarHBondContact O-N 3.03Å; L309-E312 PolarHBondContact O-N 2.88Å; L309-F313 HydrophobicContact CB-CB 4.08Å; L309-F313 WeakPolarHBondContact CB-O 3.12Å; L309-F313 HydrophobicContact CD2-CB 4.17Å; L309-F313 PolarHBondContact O-N 3.41Å; L309-F313 VanDerWaalsContact O-N 3.11Å; L309-H315 HydrophobicContact CD1-CB 4.32Å; L309-L355 HydrophobicContact CD2-CD1 3.85Å; L309-L355 HydrophobicContact CD2-CD2 4.38Å; L309-L355 HydrophobicContact CD2-CG 4.49Å; L309-F392 HydrophobicContact CD2-CE1 4.47Å; L309-F392 HydrophobicContact CD2-CZ 3.86Å
310	G	95.4	Very high	96.6	Very high	36 Å²	36	59.6 Å²	59.6	37%	0.371	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	17	176.7	0	0	0	0	0	115.5	E307 L308 E312	E307-G310 PolarHBondContact O-N 2.97Å; L308-G310 VanDerWaalsContact C-N 3.34Å; G310-E312 PolarHBondContact O-N 3.18Å; G310-E312 VanDerWaalsContact O-N 3.1Å
311	N	93.9	Very high	96.3	Very high	120 Å²	120	61.2 Å²	61.2	64%	0.642	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	10.4	-169.6	-162.8	43.6	0	0	0	114.7	L309 K352	L309-N311 PolarHBondContact O-N 3.03Å; N311-K352 WeakPolarHBondContact O-CE 3.37Å; N311-K352 WeakPolarHBondContact OD1-CE 3.47Å; N311-K352 PolarHBondContact OD1-NZ 2.99Å
312	E	95	Very high	96.2	Very high	84 Å²	84	59.9 Å²	59.9	39%	0.393	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-30.4	177.6	-63.3	-175.7	-114.5	0	0	111.3	L309 G310 K352 F353 S385 I387	L309-E312 PolarHBondContact O-N 2.88Å; G310-E312 PolarHBondContact O-N 3.18Å; G310-E312 VanDerWaalsContact O-N 3.1Å; E312-K352 WeakPolarHBondContact O-CB 3.44Å; E312-F353 PolarHBondContact O-N 3.31Å; E312-S385 PolarHBondContact OE1-OG 3.26Å; E312-I387 HydrophobicContact CB-CD1 4.32Å; E312-I387 HydrophobicContact CG-CD1 4.46Å
313	F	97	Very high	96.1	Very high	17 Å²	17	65.1 Å²	65.1	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156.1	-176.5	-62	-93.2	0	0	0	112.4	L309 F353 M366 V382 I387	L309-F313 HydrophobicContact CB-CB 4.08Å; L309-F313 WeakPolarHBondContact CB-O 3.12Å; L309-F313 HydrophobicContact CD2-CB 4.17Å; L309-F313 PolarHBondContact O-N 3.41Å; L309-F313 VanDerWaalsContact O-N 3.11Å; F313-F353 CarbonylContact C-O 3.59Å; F313-F353 WeakPolarHBondContact CA-O 3.33Å; F313-F353 WeakPolarHBondContact CB-O 2.97Å; F313-F353 HydrophobicContact CD1-CB 3.5Å; F313-F353 VanDerWaalsContact CD1-CB 3.5Å; F313-F353 HydrophobicContact CE1-CB 3.59Å; F313-F353 HydrophobicContact CE1-CG 4.43Å; F313-F353 HydrophobicContact CG-CB 4.3Å; F313-F353 HydrophobicContact CZ-CB 4.46Å; F313-M366 HydrophobicContact CB-SD 4.47Å; F313-M366 HydrophobicContact CD1-CB 4.1Å; F313-M366 HydrophobicContact CD1-CG 3.71Å; F313-M366 HydrophobicContact CD1-SD 4.37Å; F313-M366 HydrophobicContact CD2-CG 4.15Å; F313-M366 HydrophobicContact CD2-SD 3.75Å; F313-M366 HydrophobicContact CE1-CB 3.68Å; F313-M366 HydrophobicContact CE1-CG 3.83Å; F313-M366 HydrophobicContact CE2-CB 4.28Å; F313-M366 HydrophobicContact CE2-CG 4.27Å; F313-M366 HydrophobicContact CE2-SD 4.05Å; F313-M366 HydrophobicContact CG-CG 3.89Å; F313-M366 HydrophobicContact CG-SD 3.94Å; F313-M366 HydrophobicContact CZ-CB 3.79Å; F313-M366 HydrophobicContact CZ-CG 4.12Å; F313-M366 HydrophobicContact CZ-SD 4.48Å; F313-V382 HydrophobicContact CE2-CG1 4.06Å; F313-V382 HydrophobicContact CE2-CG2 4.41Å; F313-V382 HydrophobicContact CZ-CG1 3.87Å; F313-I387 HydrophobicContact CD2-CD1 3.75Å; F313-I387 HydrophobicContact CE2-CD1 3.73Å
314	T	96.5	Very high	96.1	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.2	171.2	-179.2	0	0	0	0	110	I316 K352 F353 L355	T314-I316 VanDerWaalsContact C-N 3.25Å; T314-I316 WeakPolarHBondContact CG2-O 3.48Å; T314-I316 PolarHBondContact OG1-N 3.44Å; T314-I316 VanDerWaalsContact OG1-N 3.12Å; T314-K352 HydrophobicContact CG2-CB 4.13Å; T314-F353 PolarHBondContact N-O 3.33Å; T314-L355 WeakPolarHBondContact O-CB 3.28Å; T314-L355 PolarHBondContact O-N 3.14Å
315	H	96.8	Very high	96	Very high	31 Å²	31	66 Å²	66	14%	0.144	33%	0.328	C	S	.	.	S	Bend	trans	-76.1	-17	171	62.7	-83.7	0	0	0	111.7	Q299 F303 L309 D335 L355	Q299-H315 HydrophobicContact CB-CB 4.27Å; Q299-H315 VanDerWaalsContact CD-O 3.24Å; Q299-H315 WeakPolarHBondContact CG-O 2.93Å; Q299-H315 PolarHBondContact NE2-O 3.03Å; Q299-H315 WeakPolarHBondContact O-CB 3.01Å; F303-H315 AromaticContact CD2-NE2 3.74Å; L309-H315 HydrophobicContact CD1-CB 4.32Å; H315-D335 IonicContact CD2-OD1 2.86Å; H315-D335 PolarHBondContact CD2-OD1 2.89Å; H315-D335 IonicContact NE2-OD1 2.68Å; H315-L355 HydrophobicContact CB-CD2 4.48Å
316	I	96.8	Very high	96	Very high	24 Å²	24	61.5 Å²	61.5	12%	0.123	31%	0.312	C	S	.	.			trans	-74.5	133.6	177.9	-59.5	179.1	0	0	0	109.5	T314 F318 Y333	T314-I316 VanDerWaalsContact C-N 3.25Å; T314-I316 WeakPolarHBondContact CG2-O 3.48Å; T314-I316 PolarHBondContact OG1-N 3.44Å; T314-I316 VanDerWaalsContact OG1-N 3.12Å; I316-F318 HydrophobicContact CB-CE2 4.13Å; I316-F318 HydrophobicContact CG2-CD2 4.28Å; I316-F318 HydrophobicContact CG2-CE1 4.43Å; I316-F318 HydrophobicContact CG2-CE2 3.61Å; I316-F318 HydrophobicContact CG2-CZ 3.7Å; I316-Y333 HydrophobicContact CG2-CD2 3.79Å; I316-Y333 HydrophobicContact CG2-CG 4.37Å
317	E	96.3	Very high	96.1	Very high	34 Å²	34	60.9 Å²	60.9	16%	0.159	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-101.1	137.6	177.6	-172.3	-177.4	157	0	0	111.7	R295 Y333 R334 W341	R295-E317 WeakPolarHBondContact CD-OE2 3.39Å; E317-Y333 CarbonylContact O-C 3.47Å; E317-Y333 WeakPolarHBondContact O-CA 3.47Å; E317-R334 HydrophobicContact CB-CG 3.89Å; E317-R334 HydrophobicContact CG-CG 4.43Å; E317-R334 PolarHBondContact N-O 2.99Å; E317-R334 PolarHBondContact O-N 3.43Å; E317-R334 IonicContact OE1-CZ 3.77Å; E317-R334 VanDerWaalsContact OE1-CZ 3.29Å; E317-R334 IonicContact OE1-NE 3.99Å; E317-R334 PolarHBondContact OE1-NE 2.86Å; E317-R334 IonicContact OE1-NH2 3.66Å; E317-R334 PolarHBondContact OE1-NH2 3.04Å; E317-R334 IonicContact OE2-CZ 3.66Å; E317-R334 IonicContact OE2-NE 2.73Å; E317-R334 PolarHBondContact OE2-NE 3.19Å; E317-R334 IonicContact OE2-NH2 3.93Å; E317-R334 PolarHBondContact OE2-NH2 3.48Å; E317-W341 HydrophobicContact CG-CH2 4.25Å
318	F	96.4	Very high	96.1	Very high	22 Å²	22	58.3 Å²	58.3	10%	0.096	31%	0.307	C	S	.	.			trans	-122.2	151.8	173	-63.1	-85.6	0	0	0	109.2	I316 R320 I322 M331 L332 K344 D350	I316-F318 HydrophobicContact CB-CE2 4.13Å; I316-F318 HydrophobicContact CG2-CD2 4.28Å; I316-F318 HydrophobicContact CG2-CE1 4.43Å; I316-F318 HydrophobicContact CG2-CE2 3.61Å; I316-F318 HydrophobicContact CG2-CZ 3.7Å; F318-R320 WeakPolarHBondContact CB-O 3.26Å; F318-R320 PolarHBondContact O-N 2.96Å; F318-I322 HydrophobicContact CB-CD1 4.42Å; F318-I322 HydrophobicContact CB-CG1 4.5Å; F318-I322 HydrophobicContact CD1-CD1 3.59Å; F318-I322 HydrophobicContact CD1-CG1 4.3Å; F318-I322 HydrophobicContact CD2-CD1 3.57Å; F318-I322 HydrophobicContact CD2-CG1 4.4Å; F318-I322 HydrophobicContact CE1-CD1 3.59Å; F318-I322 HydrophobicContact CE2-CD1 3.56Å; F318-I322 HydrophobicContact CG-CD1 3.58Å; F318-I322 HydrophobicContact CG-CG1 4.15Å; F318-I322 HydrophobicContact CZ-CD1 3.57Å; F318-M331 HydrophobicContact CB-CE 4.28Å; F318-M331 HydrophobicContact CD1-CG 4.27Å; F318-M331 HydrophobicContact CD1-SD 4.39Å; F318-L332 VanDerWaalsContact CD1-O 3.31Å; F318-L332 WeakPolarHBondContact CD1-O 3.42Å; F318-K344 HydrophobicContact CE1-CD 4.09Å; F318-K344 HydrophobicContact CE1-CG 4.22Å; F318-K344 HydrophobicContact CZ-CD 4.03Å; F318-D350 HydrophobicContact CE2-CB 3.84Å; F318-D350 HydrophobicContact CZ-CB 3.69Å; F318-D350 WeakPolarHBondContact CZ-OD1 3.22Å
319	P	94.5	Very high	96.2	Very high	65 Å²	65	62.2 Å²	62.2	42%	0.422	32%	0.323	S	S	.	.	S	Bend	trans	-60.7	-18	179.3	-24	32.8	0	0	0	114.4	L332 W341	P319-L332 WeakPolarHBondContact CD-O 3.44Å; P319-L332 HydrophobicContact CG-CB 3.8Å; P319-L332 HydrophobicContact CG-CD1 4.42Å; P319-W341 VanDerWaalsContact CD-CZ3 3.5Å; P319-W341 HydrophobicContact CG-CE3 4.16Å; P319-W341 HydrophobicContact CG-CH2 4.03Å; P319-W341 HydrophobicContact CG-CZ3 3.72Å
320	R	93.2	Very high	96.2	Very high	117 Å²	117	69.3 Å²	69.3	44%	0.442	35%	0.353	S	S	.	.	S	Bend	trans	-159.6	170.4	172.1	60.1	159.5	173.7	79.5	0.4	110.3	F318 I322 E326 M331	F318-R320 WeakPolarHBondContact CB-O 3.26Å; F318-R320 PolarHBondContact O-N 2.96Å; R320-I322 PolarHBondContact O-N 2.73Å; R320-E326 IonicContact CZ-OE1 3.22Å; R320-E326 IonicContact CZ-OE2 3.47Å; R320-E326 IonicContact NH1-OE1 3.67Å; R320-E326 PolarHBondContact NH1-OE1 3.26Å; R320-E326 IonicContact NH1-OE2 3.37Å; R320-E326 PolarHBondContact NH1-OE2 2.87Å; R320-E326 IonicContact NH2-OE1 2.66Å; R320-E326 PolarHBondContact NH2-OE1 3.19Å; R320-E326 IonicContact NH2-OE2 2.82Å; R320-M331 HydrophobicContact CG-CE 3.63Å
321	R	92.7	Very high	96.3	Very high	152 Å²	152	68.7 Å²	68.7	57%	0.574	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-57	132.4	171	-167.3	172.2	-174.7	-173.2	1.8	111.3	F353	R321-F353 VanDerWaalsContact NH2-CE1 3.32Å; R321-F353 VanDerWaalsContact NH2-CZ 3.32Å
322	I	95.6	Very high	96.5	Very high	12 Å²	12	65.8 Å²	65.8	6%	0.062	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-79.1	144.2	177.6	-65.5	167.6	0	0	0	110	F318 R320 E326 M331 I346 D350 L351	F318-I322 HydrophobicContact CB-CD1 4.42Å; F318-I322 HydrophobicContact CB-CG1 4.5Å; F318-I322 HydrophobicContact CD1-CD1 3.59Å; F318-I322 HydrophobicContact CD1-CG1 4.3Å; F318-I322 HydrophobicContact CD2-CD1 3.57Å; F318-I322 HydrophobicContact CD2-CG1 4.4Å; F318-I322 HydrophobicContact CE1-CD1 3.59Å; F318-I322 HydrophobicContact CE2-CD1 3.56Å; F318-I322 HydrophobicContact CG-CD1 3.58Å; F318-I322 HydrophobicContact CG-CG1 4.15Å; F318-I322 HydrophobicContact CZ-CD1 3.57Å; R320-I322 PolarHBondContact O-N 2.73Å; I322-E326 HydrophobicContact CG2-CB 4.34Å; I322-M331 HydrophobicContact CG1-SD 3.9Å; I322-I346 HydrophobicContact CD1-CG1 4.33Å; I322-I346 HydrophobicContact CD1-CG2 4.22Å; I322-I346 HydrophobicContact CG2-CD1 4.1Å; I322-I346 HydrophobicContact CG2-CG2 3.6Å; I322-D350 HydrophobicContact CD1-CB 3.57Å; I322-D350 WeakPolarHBondContact CD1-O 3.45Å; I322-L351 HydrophobicContact CB-CD2 4.1Å; I322-L351 HydrophobicContact CG2-CD2 3.58Å
323	Q	95.6	Very high	96.7	Very high	109 Å²	109	64 Å²	64	51%	0.509	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-102.2	148.9	174	-54	178.5	18.9	0	0	110.9	S325 E326	Q323-S325 PolarHBondContact O-N 2.73Å; Q323-S325 VanDerWaalsContact O-N 3.11Å; Q323-E326 HydrophobicContact CB-CG 4.14Å; Q323-E326 PolarHBondContact N-OE2 3.49Å; Q323-E326 WeakPolarHBondContact O-CB 2.96Å; Q323-E326 PolarHBondContact O-N 2.91Å
324	H	96.9	Very high	96.7	Very high	129 Å²	129	65.6 Å²	65.6	60%	0.597	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-55.5	-31	176.2	-78.7	-86.9	0	0	0	113.4	E326 L327 E348 L351	H324-E326 PolarHBondContact O-N 3.39Å; H324-E326 VanDerWaalsContact O-N 3.12Å; H324-L327 WeakPolarHBondContact O-CD1 3.44Å; H324-L327 WeakPolarHBondContact O-CG 3.24Å; H324-L327 PolarHBondContact O-N 3.46Å; H324-E348 IonicContact CE1-OE1 3.69Å; H324-E348 IonicContact ND1-OE1 3.64Å; H324-L351 WeakPolarHBondContact CE1-CD1 3.13Å; H324-L351 VanDerWaalsContact ND1-CD1 3.31Å; H324-L351 WeakPolarHBondContact ND1-CD1 3.28Å
325	S	97.6	Very high	96.6	Very high	80 Å²	80	66.7 Å²	66.7	56%	0.559	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-69.2	-3	176.7	60.7	0	0	0	0	114.1	Q323 K329	Q323-S325 PolarHBondContact O-N 2.73Å; Q323-S325 VanDerWaalsContact O-N 3.11Å; S325-K329 WeakPolarHBondContact O-CE 3.43Å; S325-K329 PolarHBondContact O-NZ 2.97Å
326	E	97.4	Very high	96.6	Very high	27 Å²	27	66.5 Å²	66.5	13%	0.126	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-106.7	-3.2	-178.2	-55.2	179.7	122.4	0	0	113.2	R320 I322 Q323 H324 G328 K329 I346	R320-E326 IonicContact CZ-OE1 3.22Å; R320-E326 IonicContact CZ-OE2 3.47Å; R320-E326 IonicContact NH1-OE1 3.67Å; R320-E326 PolarHBondContact NH1-OE1 3.26Å; R320-E326 IonicContact NH1-OE2 3.37Å; R320-E326 PolarHBondContact NH1-OE2 2.87Å; R320-E326 IonicContact NH2-OE1 2.66Å; R320-E326 PolarHBondContact NH2-OE1 3.19Å; R320-E326 IonicContact NH2-OE2 2.82Å; I322-E326 HydrophobicContact CG2-CB 4.34Å; Q323-E326 HydrophobicContact CB-CG 4.14Å; Q323-E326 PolarHBondContact N-OE2 3.49Å; Q323-E326 WeakPolarHBondContact O-CB 2.96Å; Q323-E326 PolarHBondContact O-N 2.91Å; H324-E326 PolarHBondContact O-N 3.39Å; H324-E326 VanDerWaalsContact O-N 3.12Å; E326-G328 PolarHBondContact O-N 3.44Å; E326-K329 HydrophobicContact CB-CD 4.45Å; E326-K329 VanDerWaalsContact O-CB 3.28Å; E326-K329 WeakPolarHBondContact O-CB 3.39Å; E326-K329 PolarHBondContact O-N 2.95Å; E326-I346 HydrophobicContact CB-CD1 3.75Å; E326-I346 WeakPolarHBondContact O-CD1 3.25Å
327	L	97.9	Very high	96.6	Very high	63 Å²	63	70 Å²	70	33%	0.33	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	133	172.8	-68.5	170.9	0	0	0	110.9	H324 K329 I346 V347 E348 L351	H324-L327 WeakPolarHBondContact O-CD1 3.44Å; H324-L327 WeakPolarHBondContact O-CG 3.24Å; H324-L327 PolarHBondContact O-N 3.46Å; L327-K329 VanDerWaalsContact C-N 3.25Å; L327-K329 PolarHBondContact O-N 3.34Å; L327-I346 HydrophobicContact CD2-CG2 4.08Å; L327-V347 VanDerWaalsContact CD2-C 3.49Å; L327-E348 WeakPolarHBondContact CD1-OE2 3.4Å; L327-L351 HydrophobicContact CD1-CD1 4.42Å; L327-L351 HydrophobicContact CD2-CD1 4.08Å; L327-L351 HydrophobicContact CD2-CG 4.31Å
328	G	97.9	Very high	96.6	Very high	57 Å²	57	70.5 Å²	70.5	59%	0.588	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-8.2	-176.4	0	0	0	0	0	115.5	E326 I346	E326-G328 PolarHBondContact O-N 3.44Å; G328-I346 PolarHBondContact N-O 3.36Å
329	K	98.4	Very high	96.6	Very high	117 Å²	117	75.3 Å²	75.3	51%	0.509	38%	0.382	S	S	.	.	S	Bend	trans	-83.9	161.8	171.7	-58.7	-178.9	-175.6	152.8	0	110.8	S325 E326 L327 T345 I346	S325-K329 WeakPolarHBondContact O-CE 3.43Å; S325-K329 PolarHBondContact O-NZ 2.97Å; E326-K329 HydrophobicContact CB-CD 4.45Å; E326-K329 VanDerWaalsContact O-CB 3.28Å; E326-K329 WeakPolarHBondContact O-CB 3.39Å; E326-K329 PolarHBondContact O-N 2.95Å; L327-K329 VanDerWaalsContact C-N 3.25Å; L327-K329 PolarHBondContact O-N 3.34Å; K329-T345 CarbonylContact O-C 3.58Å; K329-T345 WeakPolarHBondContact O-CA 3.26Å; K329-I346 WeakPolarHBondContact O-CG1 3.47Å; K329-I346 PolarHBondContact O-N 3.07Å
330	K	98.3	Very high	96.7	Very high	154 Å²	154	74 Å²	74	67%	0.67	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.4	171.7	-70.4	-172.7	176.9	-175.2	0	111.1	Y343 K344	K330-Y343 HydrophobicContact CB-CD1 4.25Å; K330-K344 CarbonylContact C-O 3.5Å; K330-K344 VanDerWaalsContact CA-O 3.24Å; K330-K344 WeakPolarHBondContact CA-O 3.42Å
331	M	97.8	Very high	96.9	Very high	23 Å²	23	73.6 Å²	73.6	11%	0.113	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.7	173.9	-177.3	165	-178.2	0	0	110.9	F318 R320 I322 Y343 K344 I346	F318-M331 HydrophobicContact CB-CE 4.28Å; F318-M331 HydrophobicContact CD1-CG 4.27Å; F318-M331 HydrophobicContact CD1-SD 4.39Å; R320-M331 HydrophobicContact CG-CE 3.63Å; I322-M331 HydrophobicContact CG1-SD 3.9Å; M331-Y343 WeakPolarHBondContact O-CA 3.38Å; M331-K344 PolarHBondContact N-O 3.44Å; M331-K344 PolarHBondContact O-N 3.33Å; M331-I346 HydrophobicContact CB-CD1 3.62Å; M331-I346 HydrophobicContact CB-CG1 3.9Å; M331-I346 HydrophobicContact SD-CD1 4.19Å
332	L	98.4	Very high	97.2	Very high	60 Å²	60	68 Å²	68	31%	0.314	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	134	171.8	-70.4	170.6	0	0	0	109.7	F318 P319 W341 A342 Y343	F318-L332 VanDerWaalsContact CD1-O 3.31Å; F318-L332 WeakPolarHBondContact CD1-O 3.42Å; P319-L332 WeakPolarHBondContact CD-O 3.44Å; P319-L332 HydrophobicContact CG-CB 3.8Å; P319-L332 HydrophobicContact CG-CD1 4.42Å; L332-W341 HydrophobicContact CB-CE3 4.12Å; L332-W341 HydrophobicContact CD2-CB 4.15Å; L332-A342 CarbonylContact C-O 3.59Å; L332-A342 VanDerWaalsContact CA-O 3.24Å; L332-A342 WeakPolarHBondContact CA-O 3.26Å; L332-Y343 HydrophobicContact CD2-CD1 4.26Å; L332-Y343 HydrophobicContact CD2-CD2 4.12Å; L332-Y343 HydrophobicContact CD2-CE1 3.87Å; L332-Y343 HydrophobicContact CD2-CE2 3.72Å; L332-Y343 HydrophobicContact CD2-CG 4.37Å; L332-Y343 HydrophobicContact CG-CD1 4.4Å; L332-Y343 HydrophobicContact CG-CE1 3.83Å
333	Y	98.1	Very high	97.3	Very high	45 Å²	45	74.9 Å²	74.9	18%	0.176	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	162.5	173.4	83.7	-72.1	0	0	0	110.1	I316 E317 D335 M338 W341 A342 K344	I316-Y333 HydrophobicContact CG2-CD2 3.79Å; I316-Y333 HydrophobicContact CG2-CG 4.37Å; E317-Y333 CarbonylContact O-C 3.47Å; E317-Y333 WeakPolarHBondContact O-CA 3.47Å; Y333-D335 HydrophobicContact CE2-CB 4.28Å; Y333-M338 HydrophobicContact CE2-CE 4.03Å; Y333-M338 HydrophobicContact CE2-SD 4.23Å; Y333-M338 WeakPolarHBondContact OH-CE 3.48Å; Y333-W341 VanDerWaalsContact C-CE3 3.44Å; Y333-A342 HydrophobicContact CD1-CB 4.27Å; Y333-A342 WeakPolarHBondContact CD1-O 3.29Å; Y333-A342 HydrophobicContact CE1-CB 3.69Å; Y333-A342 PolarHBondContact N-O 3.09Å; Y333-A342 PolarHBondContact O-N 3.15Å; Y333-K344 HydrophobicContact CD1-CB 3.57Å; Y333-K344 HydrophobicContact CD1-CD 3.73Å; Y333-K344 HydrophobicContact CD1-CG 3.53Å; Y333-K344 HydrophobicContact CD2-CD 3.64Å; Y333-K344 HydrophobicContact CD2-CG 4.39Å; Y333-K344 HydrophobicContact CE1-CB 3.54Å; Y333-K344 HydrophobicContact CE1-CD 4.14Å; Y333-K344 HydrophobicContact CE1-CG 4.01Å; Y333-K344 HydrophobicContact CE2-CD 4.02Å; Y333-K344 HydrophobicContact CG-CB 4.24Å; Y333-K344 HydrophobicContact CG-CD 3.45Å; Y333-K344 VanDerWaalsContact CG-CD 3.45Å; Y333-K344 HydrophobicContact CG-CG 3.74Å
334	R	96.9	Very high	97.4	Very high	52 Å²	52	71.7 Å²	71.7	20%	0.196	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-140.6	143.8	164.5	65.9	-178.7	-177.6	-176.1	-3.8	110.8	E317 M338 G340 W341	E317-R334 HydrophobicContact CB-CG 3.89Å; E317-R334 HydrophobicContact CG-CG 4.43Å; E317-R334 PolarHBondContact N-O 2.99Å; E317-R334 PolarHBondContact O-N 3.43Å; E317-R334 IonicContact OE1-CZ 3.77Å; E317-R334 VanDerWaalsContact OE1-CZ 3.29Å; E317-R334 IonicContact OE1-NE 3.99Å; E317-R334 PolarHBondContact OE1-NE 2.86Å; E317-R334 IonicContact OE1-NH2 3.66Å; E317-R334 PolarHBondContact OE1-NH2 3.04Å; E317-R334 IonicContact OE2-CZ 3.66Å; E317-R334 IonicContact OE2-NE 2.73Å; E317-R334 PolarHBondContact OE2-NE 3.19Å; E317-R334 IonicContact OE2-NH2 3.93Å; E317-R334 PolarHBondContact OE2-NH2 3.48Å; R334-M338 HydrophobicContact CB-CB 4.28Å; R334-G340 VanDerWaalsContact CB-O 3.31Å; R334-G340 WeakPolarHBondContact CB-O 3.3Å; R334-W341 HydrophobicContact CB-CD2 4.34Å; R334-W341 HydrophobicContact CB-CE3 4.1Å; R334-W341 HydrophobicContact CB-CZ3 4.35Å; R334-W341 HydrophobicContact CG-CD2 4.4Å; R334-W341 HydrophobicContact CG-CE3 4.11Å; R334-W341 HydrophobicContact CG-CH2 4.03Å; R334-W341 HydrophobicContact CG-CZ2 4.33Å; R334-W341 HydrophobicContact CG-CZ3 3.9Å
335	D	95.8	Very high	97.5	Very high	28 Å²	28	68.9 Å²	68.9	15%	0.15	37%	0.368	C	S	.	.			trans	-112.8	175.9	-179.5	-164.9	9.4	0	0	0	111.1	R295 H315 Y333 T337 M338	R295-D335 PolarHBondContact NH1-O 2.85Å; H315-D335 IonicContact CD2-OD1 2.86Å; H315-D335 PolarHBondContact CD2-OD1 2.89Å; H315-D335 IonicContact NE2-OD1 2.68Å; Y333-D335 HydrophobicContact CE2-CB 4.28Å; D335-T337 PolarHBondContact O-N 3.37Å; D335-T337 VanDerWaalsContact O-N 3.15Å; D335-M338 HydrophobicContact CB-CG 4.48Å; D335-M338 HydrophobicContact CB-SD 4.34Å; D335-M338 PolarHBondContact O-N 3.27Å
336	H	96	Very high	97.5	Very high	26 Å²	26	65.3 Å²	65.3	12%	0.12	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.5	-177.3	74.5	89.1	0	0	0	113.3	Q296 Q299 Y300 F303 M338	Q296-H336 WeakPolarHBondContact CG-O 3.31Å; Q296-H336 PolarHBondContact NE2-O 2.63Å; Q299-H336 HydrophobicContact CB-CB 3.6Å; Y300-H336 AromaticContact CD2-CE1 3.44Å; Y300-H336 VanDerWaalsContact CD2-CE1 3.44Å; Y300-H336 WeakPolarHBondContact CD2-CE1 3.48Å; Y300-H336 AromaticContact CD2-ND1 3.39Å; Y300-H336 WeakPolarHBondContact CD2-ND1 3.33Å; Y300-H336 AromaticContact CE2-CE1 3.92Å; F303-H336 AromaticContact CD1-NE2 3.6Å; F303-H336 AromaticContact CE1-NE2 3.99Å; F303-H336 AromaticContact CG-CD2 3.86Å; F303-H336 AromaticContact CG-NE2 3.69Å; H336-M338 VanDerWaalsContact C-N 3.34Å
337	T	96.8	Very high	97.5	Very high	97 Å²	97	67.6 Å²	67.6	60%	0.595	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.7	177.7	58.2	0	0	0	0	114.1	D335	D335-T337 PolarHBondContact O-N 3.37Å; D335-T337 VanDerWaalsContact O-N 3.15Å
338	M	97.1	Very high	97.4	Very high	46 Å²	46	70.1 Å²	70.1	23%	0.227	37%	0.369	C	S	.	.			trans	-103.9	136.3	-169.6	-61.9	-179	178.1	0	0	111.6	R295 Y333 R334 D335 H336 A342	R295-M338 PolarHBondContact NH1-O 2.97Å; R295-M338 PolarHBondContact NH2-O 2.92Å; Y333-M338 HydrophobicContact CE2-CE 4.03Å; Y333-M338 HydrophobicContact CE2-SD 4.23Å; Y333-M338 WeakPolarHBondContact OH-CE 3.48Å; R334-M338 HydrophobicContact CB-CB 4.28Å; D335-M338 HydrophobicContact CB-CG 4.48Å; D335-M338 HydrophobicContact CB-SD 4.34Å; D335-M338 PolarHBondContact O-N 3.27Å; H336-M338 VanDerWaalsContact C-N 3.34Å; M338-A342 HydrophobicContact CE-CB 4.46Å; M338-A342 HydrophobicContact SD-CB 4.41Å
339	T	95.5	Very high	97.3	Very high	122 Å²	122	71.4 Å²	71.4	75%	0.748	36%	0.362	S	S	*	.	S	Bend	trans	-94.8	-26	163.8	54.8	0	0	0	0	112.1
340	G	96	Very high	97.2	Very high	37 Å²	37	66.1 Å²	66.1	38%	0.381	34%	0.34	S	S	.	.	S	Bend	trans	-101.1	-163	175.2	0	0	0	0	0	113.9	R334	R334-G340 VanDerWaalsContact CB-O 3.31Å; R334-G340 WeakPolarHBondContact CB-O 3.3Å
341	W	98.2	Very high	97.1	Very high	109 Å²	109	60 Å²	60	41%	0.413	31%	0.314	S	S	.	.			trans	-118.1	148.5	178.5	-63.7	86	0	0	0	111.2	E317 P319 L332 Y333 R334	E317-W341 HydrophobicContact CG-CH2 4.25Å; P319-W341 VanDerWaalsContact CD-CZ3 3.5Å; P319-W341 HydrophobicContact CG-CE3 4.16Å; P319-W341 HydrophobicContact CG-CH2 4.03Å; P319-W341 HydrophobicContact CG-CZ3 3.72Å; L332-W341 HydrophobicContact CB-CE3 4.12Å; L332-W341 HydrophobicContact CD2-CB 4.15Å; Y333-W341 VanDerWaalsContact C-CE3 3.44Å; R334-W341 HydrophobicContact CB-CD2 4.34Å; R334-W341 HydrophobicContact CB-CE3 4.1Å; R334-W341 HydrophobicContact CB-CZ3 4.35Å; R334-W341 HydrophobicContact CG-CD2 4.4Å; R334-W341 HydrophobicContact CG-CE3 4.11Å; R334-W341 HydrophobicContact CG-CH2 4.03Å; R334-W341 HydrophobicContact CG-CZ2 4.33Å; R334-W341 HydrophobicContact CG-CZ3 3.9Å
342	A	98.4	Very high	97	Very high	36 Å²	36	60.8 Å²	60.8	30%	0.298	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	170.6	172.7	0	0	0	0	0	110.6	L332 Y333 M338	L332-A342 CarbonylContact C-O 3.59Å; L332-A342 VanDerWaalsContact CA-O 3.24Å; L332-A342 WeakPolarHBondContact CA-O 3.26Å; Y333-A342 HydrophobicContact CD1-CB 4.27Å; Y333-A342 WeakPolarHBondContact CD1-O 3.29Å; Y333-A342 HydrophobicContact CE1-CB 3.69Å; Y333-A342 PolarHBondContact N-O 3.09Å; Y333-A342 PolarHBondContact O-N 3.15Å; M338-A342 HydrophobicContact CE-CB 4.46Å; M338-A342 HydrophobicContact SD-CB 4.41Å
343	Y	98.4	Very high	96.9	Very high	155 Å²	155	61.9 Å²	61.9	61%	0.608	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.3	172.4	-75.8	-82.4	0	0	0	111	K330 M331 L332	K330-Y343 HydrophobicContact CB-CD1 4.25Å; M331-Y343 WeakPolarHBondContact O-CA 3.38Å; L332-Y343 HydrophobicContact CD2-CD1 4.26Å; L332-Y343 HydrophobicContact CD2-CD2 4.12Å; L332-Y343 HydrophobicContact CD2-CE1 3.87Å; L332-Y343 HydrophobicContact CD2-CE2 3.72Å; L332-Y343 HydrophobicContact CD2-CG 4.37Å; L332-Y343 HydrophobicContact CG-CD1 4.4Å; L332-Y343 HydrophobicContact CG-CE1 3.83Å
344	K	97.6	Very high	96.7	Very high	43 Å²	43	61.3 Å²	61.3	19%	0.187	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.2	165.5	70.6	-174.3	-65.9	-93.8	0	111.2	F318 K330 M331 Y333 D350	F318-K344 HydrophobicContact CE1-CD 4.09Å; F318-K344 HydrophobicContact CE1-CG 4.22Å; F318-K344 HydrophobicContact CZ-CD 4.03Å; K330-K344 CarbonylContact C-O 3.5Å; K330-K344 VanDerWaalsContact CA-O 3.24Å; K330-K344 WeakPolarHBondContact CA-O 3.42Å; M331-K344 PolarHBondContact N-O 3.44Å; M331-K344 PolarHBondContact O-N 3.33Å; Y333-K344 HydrophobicContact CD1-CB 3.57Å; Y333-K344 HydrophobicContact CD1-CD 3.73Å; Y333-K344 HydrophobicContact CD1-CG 3.53Å; Y333-K344 HydrophobicContact CD2-CD 3.64Å; Y333-K344 HydrophobicContact CD2-CG 4.39Å; Y333-K344 HydrophobicContact CE1-CB 3.54Å; Y333-K344 HydrophobicContact CE1-CD 4.14Å; Y333-K344 HydrophobicContact CE1-CG 4.01Å; Y333-K344 HydrophobicContact CE2-CD 4.02Å; Y333-K344 HydrophobicContact CG-CB 4.24Å; Y333-K344 HydrophobicContact CG-CD 3.45Å; Y333-K344 VanDerWaalsContact CG-CD 3.45Å; Y333-K344 HydrophobicContact CG-CG 3.74Å; K344-D350 IonicContact NZ-OD1 3.12Å; K344-D350 PolarHBondContact NZ-OD1 3.1Å; K344-D350 IonicContact NZ-OD2 2.93Å; K344-D350 PolarHBondContact NZ-OD2 3.28Å
345	T	98.4	Very high	96.7	Very high	70 Å²	70	59 Å²	59	43%	0.429	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.1	167.2	-56.9	0	0	0	0	109	K329	K329-T345 CarbonylContact O-C 3.58Å; K329-T345 WeakPolarHBondContact O-CA 3.26Å
346	I	98.1	Very high	96.8	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.31	C	S	.	.			trans	-70.7	131.7	179.5	-63.9	165.2	0	0	0	109.7	I322 E326 L327 G328 K329 M331 D350	I322-I346 HydrophobicContact CD1-CG1 4.33Å; I322-I346 HydrophobicContact CD1-CG2 4.22Å; I322-I346 HydrophobicContact CG2-CD1 4.1Å; I322-I346 HydrophobicContact CG2-CG2 3.6Å; E326-I346 HydrophobicContact CB-CD1 3.75Å; E326-I346 WeakPolarHBondContact O-CD1 3.25Å; L327-I346 HydrophobicContact CD2-CG2 4.08Å; G328-I346 PolarHBondContact N-O 3.36Å; K329-I346 WeakPolarHBondContact O-CG1 3.47Å; K329-I346 PolarHBondContact O-N 3.07Å; M331-I346 HydrophobicContact CB-CD1 3.62Å; M331-I346 HydrophobicContact CB-CG1 3.9Å; M331-I346 HydrophobicContact SD-CD1 4.19Å; I346-D350 WeakPolarHBondContact CA-OD2 3.37Å; I346-D350 HydrophobicContact CG2-CB 4.24Å
347	V	97.4	Very high	96.7	Very high	75 Å²	75	62.5 Å²	62.5	46%	0.455	32%	0.324	S	S	.	.			trans	-119.5	169.1	173.7	-60.4	0	0	0	0	111.2	L327 D349 D350	L327-V347 VanDerWaalsContact CD2-C 3.49Å; V347-D349 HydrophobicContact CG2-CB 4.23Å; V347-D349 PolarHBondContact O-N 3Å; V347-D350 WeakPolarHBondContact CG2-OD2 3.45Å; V347-D350 PolarHBondContact N-OD2 3.29Å; V347-D350 WeakPolarHBondContact O-CB 3.36Å; V347-D350 PolarHBondContact O-N 3.23Å
348	E	96.7	Very high	96.6	Very high	116 Å²	116	59.6 Å²	59.6	54%	0.542	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-55.3	-38.1	-177.9	-164.3	69.5	-165.1	0	0	112.6	H324 L327 D350 L351	H324-E348 IonicContact CE1-OE1 3.69Å; H324-E348 IonicContact ND1-OE1 3.64Å; L327-E348 WeakPolarHBondContact CD1-OE2 3.4Å; E348-D350 PolarHBondContact O-N 3.36Å; E348-L351 HydrophobicContact CG-CD1 4.45Å; E348-L351 VanDerWaalsContact O-CB 3.31Å; E348-L351 WeakPolarHBondContact O-CB 3.43Å; E348-L351 WeakPolarHBondContact O-CG 3.45Å; E348-L351 PolarHBondContact O-N 3.12Å; E348-L351 VanDerWaalsContact O-N 3.1Å
349	D	95.1	Very high	96.4	Very high	85 Å²	85	64.9 Å²	64.9	46%	0.455	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-63.2	-25.4	-179.8	-145.5	73.4	0	0	0	113.3	V347 L351 K352	V347-D349 HydrophobicContact CG2-CB 4.23Å; V347-D349 PolarHBondContact O-N 3Å; D349-L351 PolarHBondContact O-N 3.04Å; D349-K352 WeakPolarHBondContact O-CB 3.03Å; D349-K352 WeakPolarHBondContact O-CG 3.35Å; D349-K352 PolarHBondContact O-N 2.84Å; D349-K352 WeakPolarHBondContact OD1-CE 3.37Å; D349-K352 IonicContact OD1-NZ 2.73Å; D349-K352 PolarHBondContact OD1-NZ 3.22Å; D349-K352 IonicContact OD2-NZ 3.12Å; D349-K352 PolarHBondContact OD2-NZ 3.03Å
350	D	96.4	Very high	96.2	Very high	6 Å²	6	61 Å²	61	3%	0.032	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-74.2	-9.8	178.9	-59.6	-42.7	0	0	0	112.9	F318 I322 K344 I346 V347 E348 K352	F318-D350 HydrophobicContact CE2-CB 3.84Å; F318-D350 HydrophobicContact CZ-CB 3.69Å; F318-D350 WeakPolarHBondContact CZ-OD1 3.22Å; I322-D350 HydrophobicContact CD1-CB 3.57Å; I322-D350 WeakPolarHBondContact CD1-O 3.45Å; K344-D350 IonicContact NZ-OD1 3.12Å; K344-D350 PolarHBondContact NZ-OD1 3.1Å; K344-D350 IonicContact NZ-OD2 2.93Å; K344-D350 PolarHBondContact NZ-OD2 3.28Å; I346-D350 WeakPolarHBondContact CA-OD2 3.37Å; I346-D350 HydrophobicContact CG2-CB 4.24Å; V347-D350 WeakPolarHBondContact CG2-OD2 3.45Å; V347-D350 PolarHBondContact N-OD2 3.29Å; V347-D350 WeakPolarHBondContact O-CB 3.36Å; V347-D350 PolarHBondContact O-N 3.23Å; E348-D350 PolarHBondContact O-N 3.36Å; D350-K352 PolarHBondContact O-N 3.14Å
351	L	96.8	Very high	95.8	Very high	25 Å²	25	64.8 Å²	64.8	13%	0.131	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-76.1	-10.6	176.7	-63	172.5	0	0	0	113.3	I322 H324 L327 E348 D349	I322-L351 HydrophobicContact CB-CD2 4.1Å; I322-L351 HydrophobicContact CG2-CD2 3.58Å; H324-L351 WeakPolarHBondContact CE1-CD1 3.13Å; H324-L351 VanDerWaalsContact ND1-CD1 3.31Å; H324-L351 WeakPolarHBondContact ND1-CD1 3.28Å; L327-L351 HydrophobicContact CD1-CD1 4.42Å; L327-L351 HydrophobicContact CD2-CD1 4.08Å; L327-L351 HydrophobicContact CD2-CG 4.31Å; E348-L351 HydrophobicContact CG-CD1 4.45Å; E348-L351 VanDerWaalsContact O-CB 3.31Å; E348-L351 WeakPolarHBondContact O-CB 3.43Å; E348-L351 WeakPolarHBondContact O-CG 3.45Å; E348-L351 PolarHBondContact O-N 3.12Å; E348-L351 VanDerWaalsContact O-N 3.1Å; D349-L351 PolarHBondContact O-N 3.04Å
352	K	96.1	Very high	95.6	Very high	40 Å²	40	66 Å²	66	17%	0.174	34%	0.337	C	S	.	.	S	Bend	trans	-60.6	159.6	174	-70.6	177.2	-169	166.9	0	111.7	N311 E312 T314 D349 D350	N311-K352 WeakPolarHBondContact O-CE 3.37Å; N311-K352 WeakPolarHBondContact OD1-CE 3.47Å; N311-K352 PolarHBondContact OD1-NZ 2.99Å; E312-K352 WeakPolarHBondContact O-CB 3.44Å; T314-K352 HydrophobicContact CG2-CB 4.13Å; D349-K352 WeakPolarHBondContact O-CB 3.03Å; D349-K352 WeakPolarHBondContact O-CG 3.35Å; D349-K352 PolarHBondContact O-N 2.84Å; D349-K352 WeakPolarHBondContact OD1-CE 3.37Å; D349-K352 IonicContact OD1-NZ 2.73Å; D349-K352 PolarHBondContact OD1-NZ 3.22Å; D349-K352 IonicContact OD2-NZ 3.12Å; D349-K352 PolarHBondContact OD2-NZ 3.03Å; D350-K352 PolarHBondContact O-N 3.14Å
353	F	95.3	Very high	95.5	Very high	83 Å²	83	64.4 Å²	64.4	36%	0.364	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	144.6	178.6	-65.5	-79.3	0	0	0	111	E312 F313 T314 R321	E312-F353 PolarHBondContact O-N 3.31Å; F313-F353 CarbonylContact C-O 3.59Å; F313-F353 WeakPolarHBondContact CA-O 3.33Å; F313-F353 WeakPolarHBondContact CB-O 2.97Å; F313-F353 HydrophobicContact CD1-CB 3.5Å; F313-F353 VanDerWaalsContact CD1-CB 3.5Å; F313-F353 HydrophobicContact CE1-CB 3.59Å; F313-F353 HydrophobicContact CE1-CG 4.43Å; F313-F353 HydrophobicContact CG-CB 4.3Å; F313-F353 HydrophobicContact CZ-CB 4.46Å; T314-F353 PolarHBondContact N-O 3.33Å; R321-F353 VanDerWaalsContact NH2-CE1 3.32Å; R321-F353 VanDerWaalsContact NH2-CZ 3.32Å
354	P	94.7	Very high	95.5	Very high	33 Å²	33	61.2 Å²	61.2	21%	0.214	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	141	177.7	31.2	-35.8	0	0	0	110.5	I356 Y357	P354-I356 WeakPolarHBondContact CB-O 3.44Å; P354-I356 PolarHBondContact O-N 2.97Å; P354-Y357 HydrophobicContact CG-CD2 4.29Å
355	L	97	Very high	95.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.301	C	S	.	.	S	Bend	trans	-56	-35.1	173.5	173.8	59.4	0	0	0	112	L298 L309 T314 H315 V365 M366 F392	L298-L355 HydrophobicContact CB-CD2 4.01Å; L298-L355 VanDerWaalsContact O-CD2 3.26Å; L298-L355 WeakPolarHBondContact O-CD2 3.06Å; L309-L355 HydrophobicContact CD2-CD1 3.85Å; L309-L355 HydrophobicContact CD2-CD2 4.38Å; L309-L355 HydrophobicContact CD2-CG 4.49Å; T314-L355 WeakPolarHBondContact O-CB 3.28Å; T314-L355 PolarHBondContact O-N 3.14Å; H315-L355 HydrophobicContact CB-CD2 4.48Å; L355-V365 HydrophobicContact CD1-CG1 4Å; L355-V365 CarbonylContact O-C 3.46Å; L355-M366 HydrophobicContact CD1-CE 4.18Å; L355-M366 HydrophobicContact CD1-CG 3.72Å; L355-M366 HydrophobicContact CD1-SD 4.16Å; L355-M366 PolarHBondContact O-N 2.69Å; L355-F392 HydrophobicContact CD1-CD1 4.15Å; L355-F392 HydrophobicContact CD1-CE1 3.8Å; L355-F392 HydrophobicContact CD1-CZ 4.02Å; L355-F392 HydrophobicContact CD2-CD1 4.42Å; L355-F392 HydrophobicContact CD2-CE1 3.94Å
356	I	96.9	Very high	95.5	Very high	19 Å²	19	55.9 Å²	55.9	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.9	174.2	-61.9	158	0	0	0	107.7	P291 R295 L298 P354	P291-I356 HydrophobicContact CB-CG1 4.21Å; P291-I356 HydrophobicContact CB-CG2 3.74Å; P291-I356 VanDerWaalsContact O-CD1 3.31Å; P291-I356 WeakPolarHBondContact O-CD1 3.25Å; R295-I356 HydrophobicContact CB-CD1 3.76Å; R295-I356 HydrophobicContact CG-CD1 3.59Å; L298-I356 HydrophobicContact CB-CD1 4.48Å; L298-I356 HydrophobicContact CD1-CD1 3.97Å; L298-I356 HydrophobicContact CD1-CG1 3.96Å; P354-I356 WeakPolarHBondContact CB-O 3.44Å; P354-I356 PolarHBondContact O-N 2.97Å
357	Y	94.1	Very high	95.3	Very high	109 Å²	109	58.7 Å²	58.7	43%	0.427	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130	-177.3	-179.2	-92.6	0	0	0	110.7	P354 A363 R364 A367	P354-Y357 HydrophobicContact CG-CD2 4.29Å; Y357-A363 CarbonylContact O-C 3.59Å; Y357-A363 VanDerWaalsContact O-CA 3.31Å; Y357-A363 WeakPolarHBondContact O-CA 3.32Å; Y357-R364 PolarHBondContact N-O 3.44Å; Y357-R364 PolarHBondContact O-N 3.47Å; Y357-A367 HydrophobicContact CD1-CB 4.07Å; Y357-A367 HydrophobicContact CG-CB 4.23Å
358	G	93.6	Very high	95.3	Very high	37 Å²	37	57.1 Å²	57.1	38%	0.381	30%	0.295	S	S	.	.	S	Bend	trans	91.1	179.6	-177.3	0	0	0	0	0	112.6
359	E	92.8	Very high	95.4	Very high	156 Å²	156	52.1 Å²	52.1	73%	0.729	27%	0.272	S	S	*	.	S	Bend	trans	-137.3	152.1	-176.6	-66.5	179.5	179.8	0	0	110.1	E292 K361 K362	E292-E359 WeakPolarHBondContact OE1-CA 3.21Å; E359-K361 PolarHBondContact O-N 2.93Å; E359-K362 PolarHBondContact O-N 2.87Å; E359-K362 VanDerWaalsContact O-N 3.11Å
360	G	92.4	Very high	95.5	Very high	40 Å²	40	49 Å²	49	41%	0.412	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	52.4	-134.1	-176.8	0	0	0	0	0	111.7	E292 K362 A363	E292-G360 PolarHBondContact OE1-N 3.08Å; E292-G360 WeakPolarHBondContact OE2-CA 3.01Å; E292-G360 PolarHBondContact OE2-N 2.92Å; G360-K362 PolarHBondContact O-N 3.41Å; G360-A363 WeakPolarHBondContact O-CB 3.16Å; G360-A363 PolarHBondContact O-N 3.44Å
361	K	88.4	Confident	95.6	Very high	117 Å²	117	49.1 Å²	49.1	51%	0.509	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-63	-13.4	-179.6	-53.7	-166.9	-175.5	-159.5	0	115.3	E359 R364 D424	E359-K361 PolarHBondContact O-N 2.93Å; K361-R364 PolarHBondContact O-NH1 3.26Å; K361-D424 WeakPolarHBondContact CE-OD1 3.47Å; K361-D424 PolarHBondContact NZ-O 3.44Å; K361-D424 IonicContact NZ-OD1 3.87Å; K361-D424 PolarHBondContact NZ-OD1 2.86Å; K361-D424 IonicContact NZ-OD2 2.66Å; K361-D424 PolarHBondContact NZ-OD2 2.71Å; K361-D424 VanDerWaalsContact NZ-OD2 3.09Å
362	K	93	Very high	95.6	Very high	136 Å²	136	48 Å²	48	59%	0.591	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-96.4	-2.2	176.6	-62.4	-176.6	-178.6	-179.5	0	112.2	E359 G360	E359-K362 PolarHBondContact O-N 2.87Å; E359-K362 VanDerWaalsContact O-N 3.11Å; G360-K362 PolarHBondContact O-N 3.41Å
363	A	96.4	Very high	95.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	25%	0.253	C	S	.	.			trans	-64.4	135.2	174.8	0	0	0	0	0	110.1	P291 E292 Y357 G360	P291-A363 HydrophobicContact CB-CB 4.18Å; P291-A363 HydrophobicContact CG-CB 4.37Å; E292-A363 HydrophobicContact CG-CB 3.84Å; Y357-A363 CarbonylContact O-C 3.59Å; Y357-A363 VanDerWaalsContact O-CA 3.31Å; Y357-A363 WeakPolarHBondContact O-CA 3.32Å; G360-A363 WeakPolarHBondContact O-CB 3.16Å; G360-A363 PolarHBondContact O-N 3.44Å
364	R	97.9	Very high	95.9	Very high	88 Å²	88	44.2 Å²	44.2	33%	0.332	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.6	-177.7	-63.6	-66.6	178.5	-88.1	6.9	110.5	Y357 K361 M366 I369 G370	Y357-R364 PolarHBondContact N-O 3.44Å; Y357-R364 PolarHBondContact O-N 3.47Å; K361-R364 PolarHBondContact O-NH1 3.26Å; R364-M366 PolarHBondContact O-N 3.41Å; R364-I369 CarbonylContact C-O 3.48Å; R364-I369 WeakPolarHBondContact CA-O 3.35Å; R364-I369 WeakPolarHBondContact CD-O 3.2Å; R364-G370 VanDerWaalsContact CD-N 3.29Å
365	V	98.2	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.7	166.9	-173.7	0	0	0	0	108.2	P291 L298 L355 A367 T368 I369 T372 F392	P291-V365 HydrophobicContact CB-CG2 4.24Å; P291-V365 HydrophobicContact CG-CG2 3.92Å; L298-V365 HydrophobicContact CD1-CG2 3.85Å; L298-V365 HydrophobicContact CD2-CG2 4.48Å; L355-V365 HydrophobicContact CD1-CG1 4Å; L355-V365 CarbonylContact O-C 3.46Å; V365-A367 PolarHBondContact O-N 2.88Å; V365-A367 VanDerWaalsContact O-N 3.12Å; V365-T368 WeakPolarHBondContact O-CB 3.3Å; V365-T368 PolarHBondContact O-N 3Å; V365-I369 HydrophobicContact CB-CG2 4.05Å; V365-I369 HydrophobicContact CG2-CG2 4.33Å; V365-I369 PolarHBondContact N-O 3.3Å; V365-T372 HydrophobicContact CG2-CG2 3.94Å; V365-F392 HydrophobicContact CG1-CB 4.11Å; V365-F392 HydrophobicContact CG1-CG 4.28Å
366	M	97.3	Very high	96.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	43.3	-177.7	-62.5	-177.2	-85.6	0	0	112.7	F313 L355 R364 T368 V382 I387 I389 F392	F313-M366 HydrophobicContact CB-SD 4.47Å; F313-M366 HydrophobicContact CD1-CB 4.1Å; F313-M366 HydrophobicContact CD1-CG 3.71Å; F313-M366 HydrophobicContact CD1-SD 4.37Å; F313-M366 HydrophobicContact CD2-CG 4.15Å; F313-M366 HydrophobicContact CD2-SD 3.75Å; F313-M366 HydrophobicContact CE1-CB 3.68Å; F313-M366 HydrophobicContact CE1-CG 3.83Å; F313-M366 HydrophobicContact CE2-CB 4.28Å; F313-M366 HydrophobicContact CE2-CG 4.27Å; F313-M366 HydrophobicContact CE2-SD 4.05Å; F313-M366 HydrophobicContact CG-CG 3.89Å; F313-M366 HydrophobicContact CG-SD 3.94Å; F313-M366 HydrophobicContact CZ-CB 3.79Å; F313-M366 HydrophobicContact CZ-CG 4.12Å; F313-M366 HydrophobicContact CZ-SD 4.48Å; L355-M366 HydrophobicContact CD1-CE 4.18Å; L355-M366 HydrophobicContact CD1-CG 3.72Å; L355-M366 HydrophobicContact CD1-SD 4.16Å; L355-M366 PolarHBondContact O-N 2.69Å; R364-M366 PolarHBondContact O-N 3.41Å; M366-T368 PolarHBondContact O-N 2.9Å; M366-T368 PolarHBondContact O-OG1 2.88Å; M366-V382 HydrophobicContact CB-CG2 3.66Å; M366-V382 HydrophobicContact CE-CG2 4.18Å; M366-V382 HydrophobicContact CG-CG2 4.38Å; M366-V382 HydrophobicContact SD-CG2 3.87Å; M366-I387 HydrophobicContact CE-CG2 3.86Å; M366-I387 HydrophobicContact SD-CG2 3.79Å; M366-I389 HydrophobicContact CB-CD1 4.3Å; M366-I389 HydrophobicContact CE-CD1 3.65Å; M366-F392 HydrophobicContact CE-CD2 3.54Å; M366-F392 HydrophobicContact CE-CE2 3.42Å; M366-F392 VanDerWaalsContact CE-CE2 3.42Å; M366-F392 HydrophobicContact CE-CG 4.43Å; M366-F392 HydrophobicContact CE-CZ 4.25Å
367	A	95.8	Very high	96.2	Very high	63 Å²	63	42.2 Å²	42.2	52%	0.521	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	21.9	-177.4	0	0	0	0	0	115.1	Y357 V365	Y357-A367 HydrophobicContact CD1-CB 4.07Å; Y357-A367 HydrophobicContact CG-CB 4.23Å; V365-A367 PolarHBondContact O-N 2.88Å; V365-A367 VanDerWaalsContact O-N 3.12Å
368	T	97.3	Very high	96.4	Very high	43 Å²	43	37.8 Å²	37.8	26%	0.264	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-58.7	-171.1	-55	0	0	0	0	112.7	V365 M366 L380 I389	V365-T368 WeakPolarHBondContact O-CB 3.3Å; V365-T368 PolarHBondContact O-N 3Å; M366-T368 PolarHBondContact O-N 2.9Å; M366-T368 PolarHBondContact O-OG1 2.88Å; T368-L380 HydrophobicContact CG2-CD1 3.97Å; T368-L380 HydrophobicContact CG2-CD2 4.19Å; T368-L380 HydrophobicContact CG2-CG 4.1Å; T368-I389 HydrophobicContact CG2-CD1 4.19Å; T368-I389 HydrophobicContact CG2-CG1 3.89Å
369	I	97.6	Very high	96.4	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.056	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-125.9	141.9	-171.4	-168.7	169.8	0	0	0	112.9	R364 V365 V371 D377 L380 I389 L393	R364-I369 CarbonylContact C-O 3.48Å; R364-I369 WeakPolarHBondContact CA-O 3.35Å; R364-I369 WeakPolarHBondContact CD-O 3.2Å; V365-I369 HydrophobicContact CB-CG2 4.05Å; V365-I369 HydrophobicContact CG2-CG2 4.33Å; V365-I369 PolarHBondContact N-O 3.3Å; I369-V371 HydrophobicContact CD1-CG2 3.74Å; I369-V371 HydrophobicContact CG1-CG2 3.84Å; I369-D377 WeakPolarHBondContact CD1-OD2 3.48Å; I369-L380 HydrophobicContact CB-CD2 4.11Å; I369-L380 HydrophobicContact CD1-CD2 3.86Å; I369-L380 HydrophobicContact CG1-CD2 4.47Å; I369-I389 HydrophobicContact CG2-CG2 3.62Å; I369-L393 HydrophobicContact CD1-CD1 3.84Å; I369-L393 HydrophobicContact CD1-CD2 4.22Å; I369-L393 HydrophobicContact CG2-CD2 3.98Å
370	G	97.4	Very high	96.6	Very high	19 Å²	19	35.7 Å²	35.7	20%	0.196	20%	0.195	C	C	.	.	S	Bend	trans	-89.2	-8.6	-175.6	0	0	0	0	0	115.5	P291 R364	P291-G370 WeakPolarHBondContact CD-O 3.35Å; R364-G370 VanDerWaalsContact CD-N 3.29Å
371	V	97.9	Very high	96.9	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.055	19%	0.19	C	C	.	.			trans	-118.7	156.4	177.9	-63.5	0	0	0	0	110.3	D271 I369 L393	D271-V371 HydrophobicContact CB-CG1 4.17Å; D271-V371 VanDerWaalsContact CG-CG1 3.41Å; D271-V371 WeakPolarHBondContact OD2-CG1 3.11Å; I369-V371 HydrophobicContact CD1-CG2 3.74Å; I369-V371 HydrophobicContact CG1-CG2 3.84Å; V371-L393 VanDerWaalsContact O-CD2 3.28Å; V371-L393 WeakPolarHBondContact O-CD2 3.31Å
372	T	98.4	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-121.5	-3.7	-178.1	65.5	0	0	0	0	113.1	F289 T290 P291 E294 R297 L298 V365 L393 S394	F289-T372 PolarHBondContact O-N 3.22Å; F289-T372 PolarHBondContact O-OG1 3.34Å; T290-T372 VanDerWaalsContact C-CG2 3.43Å; T290-T372 WeakPolarHBondContact O-CG2 3.32Å; P291-T372 HydrophobicContact CB-CG2 4.38Å; P291-T372 HydrophobicContact CG-CG2 4.1Å; E294-T372 HydrophobicContact CB-CG2 4.33Å; E294-T372 WeakPolarHBondContact CG-OG1 3.35Å; R297-T372 PolarHBondContact NH2-O 2.88Å; R297-T372 VanDerWaalsContact NH2-O 3.12Å; L298-T372 HydrophobicContact CD1-CG2 3.82Å; L298-T372 HydrophobicContact CD2-CG2 4.37Å; L298-T372 HydrophobicContact CG-CG2 4.47Å; V365-T372 HydrophobicContact CG2-CG2 3.94Å; T372-L393 WeakPolarHBondContact O-CA 3.37Å; T372-S394 PolarHBondContact O-N 3.26Å
373	R	98.7	Very high	97.1	Very high	39 Å²	39	35 Å²	35	15%	0.147	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-136.9	150.7	171.3	-58.2	-164.5	-170.8	-173	12.5	110.2	A269 G270 F289 E294 S394 V396	A269-R373 HydrophobicContact CB-CB 4.18Å; G270-R373 WeakPolarHBondContact CA-O 3.13Å; F289-R373 HydrophobicContact CB-CB 3.91Å; F289-R373 HydrophobicContact CB-CG 3.76Å; F289-R373 HydrophobicContact CD1-CG 4.22Å; F289-R373 VanDerWaalsContact CD1-NE 3.35Å; F289-R373 HydrophobicContact CD2-CB 4.48Å; F289-R373 HydrophobicContact CD2-CG 4.49Å; F289-R373 VanDerWaalsContact CE1-CZ 3.45Å; F289-R373 HydrophobicContact CG-CB 4.22Å; F289-R373 HydrophobicContact CG-CG 3.89Å; E294-R373 IonicContact OE1-NH2 2.63Å; E294-R373 PolarHBondContact OE1-NH2 3.31Å; E294-R373 IonicContact OE2-CZ 2.88Å; E294-R373 IonicContact OE2-NE 3.4Å; E294-R373 PolarHBondContact OE2-NE 3.33Å; E294-R373 VanDerWaalsContact OE2-NE 3.12Å; E294-R373 IonicContact OE2-NH2 3.8Å; E294-R373 PolarHBondContact OE2-NH2 3.17Å; R373-S394 CarbonylContact C-O 3.53Å; R373-S394 WeakPolarHBondContact CA-O 3.5Å; R373-S394 WeakPolarHBondContact CB-O 3.34Å; R373-V396 WeakPolarHBondContact CD-O 3.31Å; R373-V396 PolarHBondContact NH1-O 3.3Å
374	G	98.4	Very high	96.9	Very high	5 Å²	5	41.4 Å²	41.4	5%	0.052	21%	0.211	C	C	.	.			trans	153.4	175.4	-175.8	0	0	0	0	0	112.2	C252 S394 C395	C252-G374 CarbonylContact O-C 3.48Å; C252-G374 WeakPolarHBondContact O-CA 3.12Å; G374-S394 PolarHBondContact N-O 3.3Å; G374-C395 VanDerWaalsContact O-CA 3.25Å; G374-C395 WeakPolarHBondContact O-CA 3.11Å
375	L	98.8	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	151.8	178.1	-55.2	173.9	0	0	0	110.2	A149 F232 M235 D236 I239 G251 C252 A254 C395	A149-L375 HydrophobicContact CB-CD1 3.69Å; F232-L375 HydrophobicContact CD1-CD2 4.37Å; F232-L375 WeakPolarHBondContact O-CD2 3.25Å; M235-L375 HydrophobicContact CG-CD1 3.87Å; D236-L375 HydrophobicContact CB-CD2 3.91Å; I239-L375 HydrophobicContact CD1-CB 3.87Å; G251-L375 CarbonylContact C-O 3.58Å; G251-L375 WeakPolarHBondContact CA-O 3.36Å; C252-L375 PolarHBondContact N-O 3.27Å; C252-L375 PolarHBondContact O-N 3.18Å; A254-L375 HydrophobicContact CB-CD1 3.94Å; A254-L375 HydrophobicContact CB-CG 4.21Å; L375-C395 HydrophobicContact CD2-CB 3.98Å
376	G	98.3	Very high	96.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.6	-145.4	177.2	0	0	0	0	0	113.9	D236 H378 K390	D236-G376 PolarHBondContact OD1-N 3.44Å; G376-H378 PolarHBondContact O-N 3.46Å; G376-H378 VanDerWaalsContact O-N 3.09Å; G376-K390 PolarHBondContact O-NZ 3.17Å
377	D	98	Very high	96.5	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.059	24%	0.24	C	C	.	.			trans	56.4	21.5	-177	-65.8	-47.5	0	0	0	116.3	H140 G250 G251 I369 D379 L380 L393	H140-D377 IonicContact CD2-OD1 2.9Å; H140-D377 IonicContact CD2-OD2 3.29Å; H140-D377 IonicContact CE1-OD2 3.24Å; H140-D377 PolarHBondContact CE1-OD2 2.83Å; H140-D377 VanDerWaalsContact NE2-CG 3.34Å; H140-D377 IonicContact NE2-OD1 3.36Å; H140-D377 PolarHBondContact NE2-OD1 2.96Å; H140-D377 IonicContact NE2-OD2 2.7Å; H140-D377 PolarHBondContact NE2-OD2 2.88Å; G250-D377 PolarHBondContact O-N 2.98Å; G250-D377 VanDerWaalsContact O-N 3.12Å; G251-D377 PolarHBondContact N-OD1 2.79Å; I369-D377 WeakPolarHBondContact CD1-OD2 3.48Å; D377-D379 PolarHBondContact O-N 2.72Å; D377-L380 HydrophobicContact CB-CB 3.97Å; D377-L380 HydrophobicContact CB-CD2 4.18Å; D377-L380 VanDerWaalsContact O-CB 3.32Å; D377-L380 WeakPolarHBondContact O-CB 3.33Å; D377-L380 PolarHBondContact O-N 2.81Å; D377-L393 HydrophobicContact CB-CD1 3.69Å
378	H	97.4	Very high	96.6	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.079	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.7	-176.2	-68.4	-70.9	0	0	0	113.9	D236 E240 K243 G376 K390	D236-H378 PolarHBondContact O-NE2 3.37Å; D236-H378 IonicContact OD1-CE1 2.73Å; D236-H378 IonicContact OD1-NE2 3.91Å; D236-H378 PolarHBondContact OD1-NE2 3.48Å; D236-H378 IonicContact OD2-CE1 2.73Å; D236-H378 PolarHBondContact OD2-CE1 3.26Å; D236-H378 IonicContact OD2-NE2 3.99Å; E240-H378 HydrophobicContact CG-CB 4.36Å; E240-H378 IonicContact OE2-CE1 3.81Å; K243-H378 HydrophobicContact CD-CB 4.47Å; G376-H378 PolarHBondContact O-N 3.46Å; G376-H378 VanDerWaalsContact O-N 3.09Å; H378-K390 WeakPolarHBondContact CE1-CE 3.47Å; H378-K390 PolarHBondContact CE1-NZ 2.71Å; H378-K390 VanDerWaalsContact ND1-CE 3.33Å; H378-K390 WeakPolarHBondContact ND1-CE 3.4Å
379	D	94.9	Very high	96.6	Very high	101 Å²	101	45.3 Å²	45.3	54%	0.54	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.1	179.4	-58.3	-54.2	0	0	0	113.6	K243 D377 K381	K243-D379 WeakPolarHBondContact CE-OD2 3.38Å; K243-D379 IonicContact NZ-OD2 3.43Å; K243-D379 PolarHBondContact NZ-OD2 3.43Å; D377-D379 PolarHBondContact O-N 2.72Å; D379-K381 PolarHBondContact O-N 3.31Å
380	L	97.1	Very high	96.6	Very high	48 Å²	48	46.4 Å²	46.4	25%	0.251	23%	0.227	S	C	.	.			trans	-67.2	125.7	-174.3	-177.3	63.9	0	0	0	110.3	T368 I369 D377 I389	T368-L380 HydrophobicContact CG2-CD1 3.97Å; T368-L380 HydrophobicContact CG2-CD2 4.19Å; T368-L380 HydrophobicContact CG2-CG 4.1Å; I369-L380 HydrophobicContact CB-CD2 4.11Å; I369-L380 HydrophobicContact CD1-CD2 3.86Å; I369-L380 HydrophobicContact CG1-CD2 4.47Å; D377-L380 HydrophobicContact CB-CB 3.97Å; D377-L380 HydrophobicContact CB-CD2 4.18Å; D377-L380 VanDerWaalsContact O-CB 3.32Å; D377-L380 WeakPolarHBondContact O-CB 3.33Å; D377-L380 PolarHBondContact O-N 2.81Å; L380-I389 HydrophobicContact CB-CB 4.29Å; L380-I389 HydrophobicContact CD2-CB 3.97Å; L380-I389 HydrophobicContact CD2-CG1 4.09Å; L380-I389 HydrophobicContact CD2-CG2 3.97Å; L380-I389 HydrophobicContact CG-CB 3.99Å; L380-I389 HydrophobicContact CG-CG1 3.87Å; L380-I389 PolarHBondContact O-N 3.3Å
381	K	97.4	Very high	96.6	Very high	73 Å²	73	48.2 Å²	48.2	32%	0.317	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-121.3	152.4	178.9	-69.2	176.1	-179.9	-178.2	0	111.2	D379 Y383 I387 Y388	D379-K381 PolarHBondContact O-N 3.31Å; K381-Y383 PolarHBondContact O-N 3.29Å; K381-I387 CarbonylContact C-O 3.56Å; K381-I387 VanDerWaalsContact CA-O 3.25Å; K381-I387 WeakPolarHBondContact CA-O 3.23Å; K381-Y388 VanDerWaalsContact CE-CE1 3.43Å; K381-Y388 WeakPolarHBondContact CE-OH 3.48Å; K381-Y388 HydrophobicContact CG-CD1 4.11Å; K381-Y388 HydrophobicContact CG-CE1 4.21Å; K381-Y388 HydrophobicContact CG-CG 4.31Å; K381-Y388 PolarHBondContact NZ-OH 2.85Å; K381-Y388 VanDerWaalsContact NZ-OH 3.14Å
382	V	96.9	Very high	96.6	Very high	12 Å²	12	47.8 Å²	47.8	7%	0.073	23%	0.233	C	C	.	.			trans	-56.5	135.1	164.8	178.6	0	0	0	0	109.1	F313 M366 N384 S385 I387 I389	F313-V382 HydrophobicContact CE2-CG1 4.06Å; F313-V382 HydrophobicContact CE2-CG2 4.41Å; F313-V382 HydrophobicContact CZ-CG1 3.87Å; M366-V382 HydrophobicContact CB-CG2 3.66Å; M366-V382 HydrophobicContact CE-CG2 4.18Å; M366-V382 HydrophobicContact CG-CG2 4.38Å; M366-V382 HydrophobicContact SD-CG2 3.87Å; V382-N384 PolarHBondContact O-N 2.66Å; V382-S385 PolarHBondContact O-N 3.42Å; V382-I387 HydrophobicContact CB-CB 4.26Å; V382-I387 HydrophobicContact CG2-CB 3.87Å; V382-I387 HydrophobicContact CG2-CG2 3.86Å; V382-I387 PolarHBondContact N-O 3.46Å; V382-I389 HydrophobicContact CG2-CD1 3.47Å; V382-I389 VanDerWaalsContact CG2-CD1 3.47Å; V382-I389 HydrophobicContact CG2-CG1 4.47Å
383	Y	89.9	Confident	96.6	Very high	192 Å²	192	48.5 Å²	48.5	75%	0.753	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127.9	-179.1	179	-101.9	0	0	0	111.9	K381 S385	K381-Y383 PolarHBondContact O-N 3.29Å; Y383-S385 PolarHBondContact O-N 2.98Å
384	N	90.6	Very high	96.5	Very high	136 Å²	136	48.3 Å²	48.3	73%	0.727	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	25.9	-177	-70.8	-16	0	0	0	115.4	V382	V382-N384 PolarHBondContact O-N 2.66Å
385	S	93.9	Very high	96.5	Very high	22 Å²	22	48.7 Å²	48.7	15%	0.154	24%	0.243	C	C	.	.	S	Bend	trans	-132	169.5	173.3	-177.6	0	0	0	0	111.3	E312 V382 Y383 I387	E312-S385 PolarHBondContact OE1-OG 3.26Å; V382-S385 PolarHBondContact O-N 3.42Å; Y383-S385 PolarHBondContact O-N 2.98Å; S385-I387 WeakPolarHBondContact OG-CD1 3.41Å; S385-I387 WeakPolarHBondContact OG-CG1 3.42Å; S385-I387 PolarHBondContact OG-N 3.18Å
386	N	94	Very high	96.5	Very high	136 Å²	136	51.1 Å²	51.1	73%	0.727	26%	0.258	S	S	*	.			trans	-98.3	10.6	173.9	-73.6	-46.4	0	0	0	112.6	Y388	N386-Y388 PolarHBondContact O-N 2.84Å
387	I	97.5	Very high	96.5	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.067	26%	0.258	C	S	.	.			trans	-77.6	117.9	176.8	-61.8	162.8	0	0	0	109	L308 E312 F313 M366 K381 V382 S385	L308-I387 VanDerWaalsContact O-CG2 3.22Å; L308-I387 WeakPolarHBondContact O-CG2 3.44Å; E312-I387 HydrophobicContact CB-CD1 4.32Å; E312-I387 HydrophobicContact CG-CD1 4.46Å; F313-I387 HydrophobicContact CD2-CD1 3.75Å; F313-I387 HydrophobicContact CE2-CD1 3.73Å; M366-I387 HydrophobicContact CE-CG2 3.86Å; M366-I387 HydrophobicContact SD-CG2 3.79Å; K381-I387 CarbonylContact C-O 3.56Å; K381-I387 VanDerWaalsContact CA-O 3.25Å; K381-I387 WeakPolarHBondContact CA-O 3.23Å; V382-I387 HydrophobicContact CB-CB 4.26Å; V382-I387 HydrophobicContact CG2-CB 3.87Å; V382-I387 HydrophobicContact CG2-CG2 3.86Å; V382-I387 PolarHBondContact N-O 3.46Å; S385-I387 WeakPolarHBondContact OG-CD1 3.41Å; S385-I387 WeakPolarHBondContact OG-CG1 3.42Å; S385-I387 PolarHBondContact OG-N 3.18Å
388	Y	97.5	Very high	96.5	Very high	107 Å²	107	54 Å²	54	42%	0.42	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-79.4	139.5	174.2	-76.5	-96.3	0	0	0	111	K381 N386	K381-Y388 VanDerWaalsContact CE-CE1 3.43Å; K381-Y388 WeakPolarHBondContact CE-OH 3.48Å; K381-Y388 HydrophobicContact CG-CD1 4.11Å; K381-Y388 HydrophobicContact CG-CE1 4.21Å; K381-Y388 HydrophobicContact CG-CG 4.31Å; K381-Y388 PolarHBondContact NZ-OH 2.85Å; K381-Y388 VanDerWaalsContact NZ-OH 3.14Å; N386-Y388 PolarHBondContact O-N 2.84Å
389	I	97.9	Very high	96.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-84.7	-33	179.1	-60.6	-59.7	0	0	0	111.8	M366 T368 I369 L380 V382 P391 F392 L393	M366-I389 HydrophobicContact CB-CD1 4.3Å; M366-I389 HydrophobicContact CE-CD1 3.65Å; T368-I389 HydrophobicContact CG2-CD1 4.19Å; T368-I389 HydrophobicContact CG2-CG1 3.89Å; I369-I389 HydrophobicContact CG2-CG2 3.62Å; L380-I389 HydrophobicContact CB-CB 4.29Å; L380-I389 HydrophobicContact CD2-CB 3.97Å; L380-I389 HydrophobicContact CD2-CG1 4.09Å; L380-I389 HydrophobicContact CD2-CG2 3.97Å; L380-I389 HydrophobicContact CG-CB 3.99Å; L380-I389 HydrophobicContact CG-CG1 3.87Å; L380-I389 PolarHBondContact O-N 3.3Å; V382-I389 HydrophobicContact CG2-CD1 3.47Å; V382-I389 VanDerWaalsContact CG2-CD1 3.47Å; V382-I389 HydrophobicContact CG2-CG1 4.47Å; I389-P391 VanDerWaalsContact C-N 3.29Å; I389-P391 WeakPolarHBondContact O-CD 3.15Å; I389-F392 WeakPolarHBondContact O-CB 3.15Å; I389-F392 PolarHBondContact O-N 3.28Å; I389-L393 HydrophobicContact CG2-CD1 3.78Å; I389-L393 HydrophobicContact CG2-CD2 4.19Å; I389-L393 HydrophobicContact CG2-CG 3.83Å
390	K	96.9	Very high	96.8	Very high	33 Å²	33	53.2 Å²	53.2	14%	0.143	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-45.9	-40.1	-174.6	-173.9	64.4	178.9	-169.2	0	115.1	D236 G376 H378 F392 L393	D236-K390 IonicContact OD1-NZ 3.96Å; D236-K390 PolarHBondContact OD1-NZ 2.96Å; D236-K390 VanDerWaalsContact OD2-CE 3.3Å; D236-K390 WeakPolarHBondContact OD2-CE 3.46Å; D236-K390 IonicContact OD2-NZ 3.08Å; D236-K390 PolarHBondContact OD2-NZ 3.33Å; G376-K390 PolarHBondContact O-NZ 3.17Å; H378-K390 WeakPolarHBondContact CE1-CE 3.47Å; H378-K390 PolarHBondContact CE1-NZ 2.71Å; H378-K390 VanDerWaalsContact ND1-CE 3.33Å; H378-K390 WeakPolarHBondContact ND1-CE 3.4Å; K390-F392 PolarHBondContact O-N 3.12Å; K390-F392 VanDerWaalsContact O-N 3.08Å; K390-L393 HydrophobicContact CD-CB 4.47Å; K390-L393 PolarHBondContact O-N 2.75Å; K390-L393 VanDerWaalsContact O-O 3.05Å
391	P	97.5	Very high	96.8	Very high	58 Å²	58	52.7 Å²	52.7	38%	0.377	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-56.1	-27	175.9	-28.1	37.3	0	0	0	115.1	L301 L308 I389	L301-P391 WeakPolarHBondContact CD2-O 3.5Å; L308-P391 HydrophobicContact CD1-CB 3.84Å; L308-P391 HydrophobicContact CD2-CB 4.23Å; L308-P391 HydrophobicContact CD2-CG 4.12Å; I389-P391 VanDerWaalsContact C-N 3.29Å; I389-P391 WeakPolarHBondContact O-CD 3.15Å
392	F	98.2	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-88.8	-11.5	177.6	-64.3	-83.3	0	0	0	113.3	R297 L298 L301 L308 L309 L355 V365 M366 I389 K390	R297-F392 PolarHBondContact NH1-O 3.14Å; R297-F392 PolarHBondContact NH2-O 3.17Å; L298-F392 HydrophobicContact CD2-CB 3.88Å; L298-F392 HydrophobicContact CD2-CD1 4Å; L298-F392 HydrophobicContact CD2-CG 4.43Å; L301-F392 HydrophobicContact CB-CE1 4.35Å; L301-F392 HydrophobicContact CD2-CD1 3.75Å; L301-F392 HydrophobicContact CD2-CE1 3.94Å; L301-F392 HydrophobicContact CD2-CG 4.26Å; L301-F392 HydrophobicContact CG-CD1 4.38Å; L301-F392 HydrophobicContact CG-CE1 4.1Å; L308-F392 HydrophobicContact CB-CE2 3.93Å; L308-F392 HydrophobicContact CB-CZ 3.86Å; L308-F392 HydrophobicContact CD1-CZ 4.47Å; L309-F392 HydrophobicContact CD2-CE1 4.47Å; L309-F392 HydrophobicContact CD2-CZ 3.86Å; L355-F392 HydrophobicContact CD1-CD1 4.15Å; L355-F392 HydrophobicContact CD1-CE1 3.8Å; L355-F392 HydrophobicContact CD1-CZ 4.02Å; L355-F392 HydrophobicContact CD2-CD1 4.42Å; L355-F392 HydrophobicContact CD2-CE1 3.94Å; V365-F392 HydrophobicContact CG1-CB 4.11Å; V365-F392 HydrophobicContact CG1-CG 4.28Å; M366-F392 HydrophobicContact CE-CD2 3.54Å; M366-F392 HydrophobicContact CE-CE2 3.42Å; M366-F392 VanDerWaalsContact CE-CE2 3.42Å; M366-F392 HydrophobicContact CE-CG 4.43Å; M366-F392 HydrophobicContact CE-CZ 4.25Å; I389-F392 WeakPolarHBondContact O-CB 3.15Å; I389-F392 PolarHBondContact O-N 3.28Å; K390-F392 PolarHBondContact O-N 3.12Å; K390-F392 VanDerWaalsContact O-N 3.08Å
393	L	97.9	Very high	96.8	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.079	25%	0.254	C	S	.	.			trans	-100.1	118.2	-179.1	-56.8	-178.6	0	0	0	110.9	I369 V371 T372 D377 I389 K390	I369-L393 HydrophobicContact CD1-CD1 3.84Å; I369-L393 HydrophobicContact CD1-CD2 4.22Å; I369-L393 HydrophobicContact CG2-CD2 3.98Å; V371-L393 VanDerWaalsContact O-CD2 3.28Å; V371-L393 WeakPolarHBondContact O-CD2 3.31Å; T372-L393 WeakPolarHBondContact O-CA 3.37Å; D377-L393 HydrophobicContact CB-CD1 3.69Å; I389-L393 HydrophobicContact CG2-CD1 3.78Å; I389-L393 HydrophobicContact CG2-CD2 4.19Å; I389-L393 HydrophobicContact CG2-CG 3.83Å; K390-L393 HydrophobicContact CD-CB 4.47Å; K390-L393 PolarHBondContact O-N 2.75Å; K390-L393 VanDerWaalsContact O-O 3.05Å
394	S	98.3	Very high	97	Very high	34 Å²	34	41.8 Å²	41.8	24%	0.238	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-95.1	130.5	174.8	-172.4	0	0	0	0	111.3	T372 R373 G374 V396	T372-S394 PolarHBondContact O-N 3.26Å; R373-S394 CarbonylContact C-O 3.53Å; R373-S394 WeakPolarHBondContact CA-O 3.5Å; R373-S394 WeakPolarHBondContact CB-O 3.34Å; G374-S394 PolarHBondContact N-O 3.3Å; S394-V396 VanDerWaalsContact C-N 3.26Å; S394-V396 PolarHBondContact OG-N 2.87Å
395	C	98.4	Very high	96.9	Very high	14 Å²	14	40.7 Å²	40.7	10%	0.095	21%	0.213	C	C	.	.			trans	-80	-6.7	169.1	54.6	0	0	0	0	113.6	F232 D236 G374 L375	F232-C395 WeakPolarHBondContact CB-O 3.39Å; D236-C395 HydrophobicContact CB-CB 3.53Å; D236-C395 WeakPolarHBondContact OD2-CB 3.37Å; D236-C395 PolarHBondContact OD2-SG 3.08Å; G374-C395 VanDerWaalsContact O-CA 3.25Å; G374-C395 WeakPolarHBondContact O-CA 3.11Å; L375-C395 HydrophobicContact CD2-CB 3.98Å
396	V	97.8	Very high	96.7	Very high	51 Å²	51	46.8 Å²	46.8	31%	0.309	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-81.2	123.3	-174.5	-176.8	0	0	0	0	110.3	E229 R373 S394	E229-V396 HydrophobicContact CB-CG1 4.3Å; E229-V396 HydrophobicContact CG-CG1 4.39Å; R373-V396 WeakPolarHBondContact CD-O 3.31Å; R373-V396 PolarHBondContact NH1-O 3.3Å; S394-V396 VanDerWaalsContact C-N 3.26Å; S394-V396 PolarHBondContact OG-N 2.87Å
397	P	98.6	Very high	96.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-76.1	161.1	-179.2	33.7	-36.7	0	0	0	111.4	E229 F232 A267 N268 A269 V399	E229-P397 HydrophobicContact CG-CG 4.34Å; F232-P397 HydrophobicContact CB-CG 4.13Å; F232-P397 HydrophobicContact CD1-CB 3.96Å; F232-P397 HydrophobicContact CD1-CG 3.83Å; F232-P397 HydrophobicContact CD2-CG 3.77Å; F232-P397 HydrophobicContact CE1-CB 3.85Å; F232-P397 HydrophobicContact CE1-CG 4.1Å; F232-P397 HydrophobicContact CE2-CB 4.43Å; F232-P397 HydrophobicContact CE2-CG 4.04Å; F232-P397 HydrophobicContact CG-CB 4.29Å; F232-P397 HydrophobicContact CG-CG 3.65Å; F232-P397 HydrophobicContact CZ-CB 4.1Å; F232-P397 HydrophobicContact CZ-CG 4.2Å; A267-P397 HydrophobicContact CB-CB 4.01Å; A267-P397 HydrophobicContact CB-CG 4.19Å; N268-P397 CarbonylContact O-C 3.59Å; N268-P397 WeakPolarHBondContact O-CA 3.02Å; N268-P397 WeakPolarHBondContact O-CB 3.39Å; A269-P397 HydrophobicContact CB-CB 4.23Å; P397-V399 HydrophobicContact CG-CG2 4.24Å
398	E	98.6	Very high	96.1	Very high	70 Å²	70	51.5 Å²	51.5	33%	0.327	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.1	154.1	177	179.6	84.8	0	0	108.8	A267 N268 N287 F289	A267-E398 CarbonylContact C-O 3.57Å; A267-E398 VanDerWaalsContact CA-O 3.32Å; A267-E398 WeakPolarHBondContact CA-O 3.24Å; N268-E398 PolarHBondContact N-O 2.96Å; N268-E398 PolarHBondContact O-N 2.95Å; N287-E398 PolarHBondContact ND2-OE1 2.89Å; F289-E398 HydrophobicContact CE2-CB 3.98Å; F289-E398 HydrophobicContact CZ-CB 3.5Å; F289-E398 VanDerWaalsContact CZ-CB 3.5Å; F289-E398 HydrophobicContact CZ-CG 4.4Å
399	V	98.8	Very high	96	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.7	178.3	-172.7	0	0	0	0	110.1	M225 I228 E229 Y265 V266 A267 P397	M225-V399 HydrophobicContact CB-CG1 4.46Å; M225-V399 HydrophobicContact CE-CB 4.05Å; M225-V399 HydrophobicContact CE-CG1 4.43Å; M225-V399 WeakPolarHBondContact CE-O 3.16Å; M225-V399 HydrophobicContact CG-CB 4.38Å; M225-V399 HydrophobicContact CG-CG1 3.97Å; I228-V399 HydrophobicContact CG2-CG2 4.22Å; E229-V399 HydrophobicContact CG-CG2 3.92Å; Y265-V399 HydrophobicContact CD1-CG1 4.43Å; V266-V399 CarbonylContact O-C 3.41Å; V266-V399 WeakPolarHBondContact O-CA 3.29Å; A267-V399 HydrophobicContact CB-CG2 3.92Å; P397-V399 HydrophobicContact CG-CG2 4.24Å
400	K	98.6	Very high	95.8	Very high	88 Å²	88	49.5 Å²	49.5	38%	0.383	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.1	171.5	-170.5	171.3	174.4	177.8	0	110.5	V266 P284 M285	V266-K400 PolarHBondContact N-O 3.44Å; V266-K400 PolarHBondContact O-N 2.67Å; P284-K400 PolarHBondContact O-NZ 2.87Å; M285-K400 HydrophobicContact CE-CB 4.11Å; M285-K400 HydrophobicContact CE-CD 3.96Å; M285-K400 HydrophobicContact CE-CG 3.76Å; M285-K400 WeakPolarHBondContact O-CB 3.46Å; M285-K400 HydrophobicContact SD-CD 4.18Å
401	V	98.4	Very high	95.7	Very high	36 Å²	36	50.6 Å²	50.6	22%	0.218	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.7	-178.3	-170.5	0	0	0	0	110.2	E221 M225 K263 L264 Y265	E221-V401 HydrophobicContact CG-CG1 4.35Å; E221-V401 HydrophobicContact CG-CG2 4.04Å; M225-V401 HydrophobicContact CG-CG2 4.08Å; M225-V401 HydrophobicContact SD-CG2 3.87Å; K263-V401 HydrophobicContact CB-CG1 4.15Å; K263-V401 HydrophobicContact CD-CG1 4.03Å; K263-V401 HydrophobicContact CG-CG1 4.46Å; L264-V401 CarbonylContact O-C 3.47Å; L264-V401 WeakPolarHBondContact O-CA 3.44Å; Y265-V401 HydrophobicContact CD1-CG1 4.35Å; Y265-V401 HydrophobicContact CD1-CG2 3.65Å; Y265-V401 HydrophobicContact CE1-CG1 4.18Å; Y265-V401 HydrophobicContact CE1-CG2 3.84Å
402	Y	97.9	Very high	95.6	Very high	18 Å²	18	50.4 Å²	50.4	7%	0.071	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.9	170.5	-177.7	-94.1	0	0	0	109.5	K263 L264 I276 R278 I283 M285 L404 H409	K263-Y402 WeakPolarHBondContact CA-O 3.43Å; L264-Y402 HydrophobicContact CD1-CD1 4.25Å; L264-Y402 PolarHBondContact N-O 3.29Å; L264-Y402 PolarHBondContact O-N 3.28Å; I276-Y402 HydrophobicContact CD1-CD1 3.72Å; I276-Y402 HydrophobicContact CD1-CD2 3.55Å; I276-Y402 HydrophobicContact CD1-CE1 3.97Å; I276-Y402 HydrophobicContact CD1-CE2 3.81Å; I276-Y402 HydrophobicContact CD1-CG 3.49Å; I276-Y402 VanDerWaalsContact CD1-CG 3.49Å; R278-Y402 PolarHBondContact NH1-OH 3.45Å; I283-Y402 HydrophobicContact CD1-CE2 4.3Å; M285-Y402 HydrophobicContact SD-CD2 4.45Å; Y402-L404 HydrophobicContact CD1-CD2 4.22Å; Y402-L404 HydrophobicContact CD1-CG 4.23Å; Y402-L404 HydrophobicContact CE1-CD2 3.91Å; Y402-L404 HydrophobicContact CE1-CG 4.32Å; Y402-L404 PolarHBondContact O-N 3.01Å; Y402-H409 AromaticContact CE1-CE1 3.95Å; Y402-H409 AromaticContact CE1-NE2 3.52Å; Y402-H409 AromaticContact CZ-NE2 3.62Å; Y402-H409 PolarHBondContact OH-NE2 3.43Å
403	N	95.6	Very high	95.5	Very high	28 Å²	28	50.8 Å²	50.8	15%	0.15	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	112.4	177.3	-166.5	-19.7	0	0	0	109.7	G262 K263 D405 E406 N407	G262-N403 PolarHBondContact O-OD1 2.76Å; K263-N403 HydrophobicContact CG-CB 4.5Å; N403-D405 PolarHBondContact OD1-N 2.98Å; N403-D405 VanDerWaalsContact OD1-N 3.08Å; N403-E406 HydrophobicContact CB-CB 4.15Å; N403-E406 HydrophobicContact CB-CG 4.1Å; N403-E406 WeakPolarHBondContact ND2-CG 3.44Å; N403-E406 PolarHBondContact ND2-OE1 3.05Å; N403-N407 PolarHBondContact O-ND2 3.33Å
404	L	93.6	Very high	95.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-70.1	-42	177.7	-78.6	161.6	0	0	0	110.4	W80 Y259 G262 L264 Y402 E406 N407 L490	W80-L404 HydrophobicContact CH2-CD1 3.71Å; W80-L404 HydrophobicContact CZ3-CD1 4.2Å; Y259-L404 HydrophobicContact CD2-CD1 3.58Å; Y259-L404 HydrophobicContact CE2-CD1 3.47Å; Y259-L404 VanDerWaalsContact CE2-CD1 3.47Å; G262-L404 WeakPolarHBondContact O-CB 3.39Å; G262-L404 PolarHBondContact O-N 2.88Å; L264-L404 HydrophobicContact CD1-CD1 4Å; L264-L404 HydrophobicContact CD1-CD2 4.22Å; L264-L404 HydrophobicContact CD1-CG 4.15Å; L264-L404 HydrophobicContact CD2-CD1 4.12Å; L264-L404 HydrophobicContact CG-CD1 3.7Å; L264-L404 HydrophobicContact CG-CG 4.14Å; Y402-L404 HydrophobicContact CD1-CD2 4.22Å; Y402-L404 HydrophobicContact CD1-CG 4.23Å; Y402-L404 HydrophobicContact CE1-CD2 3.91Å; Y402-L404 HydrophobicContact CE1-CG 4.32Å; Y402-L404 PolarHBondContact O-N 3.01Å; L404-E406 PolarHBondContact O-N 3.11Å; L404-N407 CarbonylContact O-C 3.45Å; L404-N407 PolarHBondContact O-N 2.77Å; L404-L490 HydrophobicContact CD2-CB 4.03Å; L404-L490 HydrophobicContact CD2-CD2 4.08Å
405	D	88.1	Confident	95.6	Very high	114 Å²	114	48.5 Å²	48.5	61%	0.61	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.2	-174	-58.8	-14.4	0	0	0	113.3	N403 N407	N403-D405 PolarHBondContact OD1-N 2.98Å; N403-D405 VanDerWaalsContact OD1-N 3.08Å; D405-N407 VanDerWaalsContact C-N 3.26Å; D405-N407 PolarHBondContact O-N 3.32Å
406	E	91	Very high	95.6	Very high	149 Å²	149	47.9 Å²	47.9	70%	0.696	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.5	177	-77	172.9	-160.8	0	0	113.4	N403 L404	N403-E406 HydrophobicContact CB-CB 4.15Å; N403-E406 HydrophobicContact CB-CG 4.1Å; N403-E406 WeakPolarHBondContact ND2-CG 3.44Å; N403-E406 PolarHBondContact ND2-OE1 3.05Å; L404-E406 PolarHBondContact O-N 3.11Å
407	N	88.5	Confident	95.6	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	23%	0.231	S	C	.	.	S	Bend	trans	-130.1	137.9	-170.8	-62	-81.2	0	0	0	110.1	R278 N403 L404 D405 H409	R278-N407 PolarHBondContact NH1-OD1 2.88Å; N403-N407 PolarHBondContact O-ND2 3.33Å; L404-N407 CarbonylContact O-C 3.45Å; L404-N407 PolarHBondContact O-N 2.77Å; D405-N407 VanDerWaalsContact C-N 3.26Å; D405-N407 PolarHBondContact O-N 3.32Å; N407-H409 PolarHBondContact O-CE1 2.87Å; N407-H409 PolarHBondContact O-ND1 3.12Å; N407-H409 VanDerWaalsContact O-ND1 3.1Å
408	K	90.1	Very high	95.6	Very high	199 Å²	199	45.3 Å²	45.3	87%	0.865	23%	0.23	S	C	*	.			trans	-87	137.3	171.8	-66.9	-172.8	179	-175.3	0	109.7
409	H	94.9	Very high	95.6	Very high	36 Å²	36	42 Å²	42	17%	0.167	22%	0.215	C	C	.	.			trans	-122.4	134.5	179.6	-54.5	87.2	0	0	0	111.1	Y402 N407 D413 L490 A491	Y402-H409 AromaticContact CE1-CE1 3.95Å; Y402-H409 AromaticContact CE1-NE2 3.52Å; Y402-H409 AromaticContact CZ-NE2 3.62Å; Y402-H409 PolarHBondContact OH-NE2 3.43Å; N407-H409 PolarHBondContact O-CE1 2.87Å; N407-H409 PolarHBondContact O-ND1 3.12Å; N407-H409 VanDerWaalsContact O-ND1 3.1Å; H409-D413 VanDerWaalsContact CA-OD2 3.23Å; H409-D413 WeakPolarHBondContact CA-OD2 3.16Å; H409-D413 HydrophobicContact CB-CB 4.04Å; H409-L490 HydrophobicContact CB-CB 3.92Å; H409-L490 VanDerWaalsContact CD2-CB 3.5Å; H409-L490 WeakPolarHBondContact CD2-CB 3.38Å; H409-A491 HydrophobicContact CB-CB 4.18Å
410	G	94.2	Very high	95.6	Very high	28 Å²	28	42.5 Å²	42.5	29%	0.289	22%	0.217	S	C	.	.			trans	-89.9	173.6	167	0	0	0	0	0	112.3	D412 D413 A491	G410-D412 PolarHBondContact O-N 2.75Å; G410-D413 PolarHBondContact N-OD2 3.47Å; G410-D413 PolarHBondContact O-N 2.99Å; G410-A491 VanDerWaalsContact O-CB 3.31Å; G410-A491 WeakPolarHBondContact O-CB 3.31Å
411	P	93.9	Very high	95.5	Very high	56 Å²	56	38.3 Å²	38.3	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-4.7	178.9	29.8	-37.1	0	0	0	114.7	P444 Y450	P411-P444 HydrophobicContact CB-CB 3.97Å; P411-P444 HydrophobicContact CG-CB 4.14Å; P411-P444 HydrophobicContact CG-CG 4.24Å; P411-Y450 PolarHBondContact O-OH 2.94Å
412	D	95.9	Very high	95.5	Very high	54 Å²	54	36.6 Å²	36.6	29%	0.289	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-9.8	175.9	-66	-13.5	0	0	0	112.4	G410 R449	G410-D412 PolarHBondContact O-N 2.75Å; D412-R449 IonicContact OD1-CZ 3.39Å; D412-R449 IonicContact OD1-NH2 3.37Å; D412-R449 PolarHBondContact OD1-NH2 3.3Å
413	D	97.1	Very high	95.5	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.048	19%	0.187	C	C	.	.			trans	-84.9	119.4	-179.9	-60.2	-35.2	0	0	0	109.3	I277 R278 N279 H409 G410 L490	I277-D413 CarbonylContact O-C 3.59Å; I277-D413 VanDerWaalsContact O-CA 3.27Å; I277-D413 WeakPolarHBondContact O-CA 3.15Å; R278-D413 WeakPolarHBondContact CA-OD1 3.4Å; R278-D413 HydrophobicContact CB-CB 4.47Å; R278-D413 HydrophobicContact CG-CB 4.3Å; N279-D413 PolarHBondContact N-OD1 2.92Å; H409-D413 VanDerWaalsContact CA-OD2 3.23Å; H409-D413 WeakPolarHBondContact CA-OD2 3.16Å; H409-D413 HydrophobicContact CB-CB 4.04Å; G410-D413 PolarHBondContact N-OD2 3.47Å; G410-D413 PolarHBondContact O-N 2.99Å; D413-L490 HydrophobicContact CB-CD1 4.49Å; D413-L490 WeakPolarHBondContact O-CB 3.33Å; D413-L490 PolarHBondContact O-N 3Å
414	V	98.4	Very high	95.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.5	-169.9	-60.5	0	0	0	0	111.5	I276 I277 V416 V435 L439 Y450 I487 I488	I276-V414 WeakPolarHBondContact CA-O 3.16Å; I277-V414 HydrophobicContact CB-CG2 4.22Å; I277-V414 HydrophobicContact CD1-CG2 4.04Å; I277-V414 PolarHBondContact N-O 3.32Å; I277-V414 PolarHBondContact O-N 2.79Å; V414-V416 HydrophobicContact CG2-CG2 4.04Å; V414-V435 HydrophobicContact CG2-CG1 3.77Å; V414-L439 HydrophobicContact CG1-CD1 3.76Å; V414-L439 HydrophobicContact CG2-CD1 4.39Å; V414-Y450 HydrophobicContact CG1-CD1 4.06Å; V414-Y450 HydrophobicContact CG1-CE1 3.78Å; V414-I487 HydrophobicContact CB-CG2 3.9Å; V414-I487 HydrophobicContact CG1-CG2 3.84Å; V414-I487 HydrophobicContact CG2-CG2 4.09Å; V414-I488 CarbonylContact C-O 3.58Å; V414-I488 WeakPolarHBondContact CA-O 3.28Å; V414-I488 WeakPolarHBondContact CB-O 3.32Å
415	L	98.8	Very high	95.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.3	161.1	-172	161.4	0	0	0	108.4	V257 L264 V266 A274 I275 I276 M417 I488 L490	V257-L415 HydrophobicContact CG1-CD1 4.26Å; V257-L415 HydrophobicContact CG2-CD1 4.12Å; V257-L415 HydrophobicContact CG2-CD2 4.07Å; L264-L415 HydrophobicContact CD1-CD1 4.07Å; V266-L415 HydrophobicContact CG2-CD1 4.17Å; A274-L415 HydrophobicContact CB-CD2 4.13Å; I275-L415 CarbonylContact O-C 3.58Å; I275-L415 WeakPolarHBondContact O-CA 3.01Å; I276-L415 HydrophobicContact CD1-CD1 4.45Å; I276-L415 HydrophobicContact CG1-CB 4.05Å; I276-L415 HydrophobicContact CG1-CD1 4.09Å; I276-L415 HydrophobicContact CG1-CG 4.02Å; L415-M417 HydrophobicContact CD2-CG 3.22Å; L415-M417 HydrophobicContact CD2-SD 4.04Å; L415-I488 HydrophobicContact CB-CB 4.42Å; L415-I488 HydrophobicContact CD2-CD1 4.3Å; L415-I488 PolarHBondContact N-O 2.75Å; L415-I488 PolarHBondContact O-N 3.3Å; L415-L490 HydrophobicContact CB-CD2 4.03Å
416	V	98.9	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128	174.7	-173.9	0	0	0	0	108.6	A274 I275 I277 V414 W423 V431 V435 L457 V485 F486	A274-V416 CarbonylContact C-O 3.52Å; A274-V416 WeakPolarHBondContact CA-O 3.35Å; I275-V416 HydrophobicContact CG1-CB 4.12Å; I275-V416 PolarHBondContact N-O 3.32Å; I275-V416 PolarHBondContact O-N 2.73Å; I277-V416 HydrophobicContact CD1-CG2 3.61Å; I277-V416 HydrophobicContact CG1-CG2 4.43Å; V414-V416 HydrophobicContact CG2-CG2 4.04Å; V416-W423 HydrophobicContact CG1-CH2 4.29Å; V416-W423 HydrophobicContact CG1-CZ2 4.45Å; V416-V431 HydrophobicContact CB-CG1 4.47Å; V416-V431 HydrophobicContact CG1-CG1 4Å; V416-V431 HydrophobicContact CG2-CG1 4.44Å; V416-V435 HydrophobicContact CG2-CG2 4.29Å; V416-L457 HydrophobicContact CG1-CD2 3.92Å; V416-V485 HydrophobicContact CG1-CG1 4.49Å; V416-F486 WeakPolarHBondContact CA-O 3.46Å
417	M	98.6	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.3	172.2	-49.1	168.4	63.8	0	0	109	W134 V136 L255 V257 A274 L415 V485 F486 I488	W134-M417 HydrophobicContact CB-CE 4.48Å; W134-M417 HydrophobicContact CB-SD 3.94Å; V136-M417 HydrophobicContact CG2-CB 4.34Å; V136-M417 HydrophobicContact CG2-CE 4.25Å; L255-M417 HydrophobicContact CD2-CB 4.07Å; L255-M417 HydrophobicContact CD2-CE 4.05Å; L255-M417 HydrophobicContact CG-CE 3.7Å; V257-M417 HydrophobicContact CB-CE 4.3Å; V257-M417 HydrophobicContact CB-SD 4.11Å; V257-M417 HydrophobicContact CG2-CE 3.64Å; V257-M417 HydrophobicContact CG2-CG 4.21Å; V257-M417 HydrophobicContact CG2-SD 3.5Å; V257-M417 WeakPolarHBondContact CG2-SD 3.18Å; A274-M417 HydrophobicContact CB-CG 4.17Å; L415-M417 HydrophobicContact CD2-CG 3.22Å; L415-M417 HydrophobicContact CD2-SD 4.04Å; M417-V485 WeakPolarHBondContact O-CA 3.42Å; M417-F486 HydrophobicContact CB-CB 4.17Å; M417-F486 HydrophobicContact CG-CB 4.41Å; M417-F486 PolarHBondContact N-O 3.08Å; M417-F486 PolarHBondContact O-N 2.91Å; M417-F486 HydrophobicContact SD-CB 4.32Å; M417-F486 HydrophobicContact SD-CD2 4.48Å; M417-I488 HydrophobicContact CG-CD1 4.48Å; M417-I488 HydrophobicContact SD-CD1 3.65Å
418	G	98.6	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	165.4	167	0	0	0	0	0	114.8	R273 W423 T484	R273-G418 PolarHBondContact N-O 3.39Å; R273-G418 PolarHBondContact O-N 3.08Å; G418-W423 VanDerWaalsContact C-NE1 3.31Å; G418-W423 PolarHBondContact O-NE1 3.4Å; G418-T484 WeakPolarHBondContact CA-O 3.37Å
419	T	98.7	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.			trans	-73.2	168.3	171.5	45.1	0	0	0	0	112.2	D98 V136 D138 G421 L422 T484	D98-T419 VanDerWaalsContact OD2-CG2 3.3Å; D98-T419 WeakPolarHBondContact OD2-CG2 3.45Å; D98-T419 PolarHBondContact OD2-OG1 3.45Å; V136-T419 HydrophobicContact CG1-CG2 3.33Å; D138-T419 HydrophobicContact CB-CG2 3.61Å; D138-T419 WeakPolarHBondContact OD2-CB 3.41Å; T419-G421 PolarHBondContact O-N 3.48Å; T419-G421 VanDerWaalsContact O-N 3.14Å; T419-L422 WeakPolarHBondContact O-CB 3.37Å; T419-L422 PolarHBondContact O-N 2.87Å; T419-T484 PolarHBondContact N-O 3.24Å; T419-T484 PolarHBondContact OG1-N 3.37Å
420	D	97.4	Very high	97	Very high	24 Å²	24	31 Å²	31	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-29.4	-177.6	78.5	-16.7	0	0	0	111.6	D138 L422 W423 D424	D138-D420 PolarHBondContact OD2-N 2.87Å; D420-L422 CarbonylContact O-C 3.58Å; D420-L422 PolarHBondContact O-N 2.57Å; D420-W423 PolarHBondContact O-N 2.91Å; D420-D424 WeakPolarHBondContact O-CB 3.48Å; D420-D424 PolarHBondContact O-N 3.01Å
421	G	97.6	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-21.2	175.2	0	0	0	0	0	114.6	T419 S479 D482	T419-G421 PolarHBondContact O-N 3.48Å; T419-G421 VanDerWaalsContact O-N 3.14Å; G421-S479 WeakPolarHBondContact CA-OG 3.48Å; G421-S479 WeakPolarHBondContact O-CB 3.37Å; G421-S479 PolarHBondContact O-OG 2.94Å; G421-D482 WeakPolarHBondContact CA-O 3.42Å
422	L	98.1	Very high	97.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-80.4	-58.1	166.9	173.9	61.4	0	0	0	111.2	T419 D420 D424 V425 T426 L457 S461 I483 V485	T419-L422 WeakPolarHBondContact O-CB 3.37Å; T419-L422 PolarHBondContact O-N 2.87Å; D420-L422 CarbonylContact O-C 3.58Å; D420-L422 PolarHBondContact O-N 2.57Å; L422-D424 PolarHBondContact O-N 3.28Å; L422-V425 PolarHBondContact O-N 2.89Å; L422-T426 PolarHBondContact O-N 3.2Å; L422-T426 PolarHBondContact O-OG1 3.1Å; L422-L457 HydrophobicContact CD1-CD1 4.18Å; L422-L457 HydrophobicContact CD1-CD2 4.33Å; L422-L457 HydrophobicContact CD1-CG 3.96Å; L422-L457 HydrophobicContact CD2-CD2 4.18Å; L422-S461 WeakPolarHBondContact CD1-OG 3.27Å; L422-I483 HydrophobicContact CB-CG2 4.18Å; L422-V485 HydrophobicContact CD1-CG2 4.47Å; L422-V485 HydrophobicContact CD2-CG2 4.06Å
423	W	97.2	Very high	97.4	Very high	11 Å²	11	30.5 Å²	30.5	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-72.9	-16.7	-168.3	-52.7	109	0	0	0	113.4	R273 I275 V416 G418 D420 V425 T426 V431	R273-W423 HydrophobicContact CB-CD2 3.92Å; R273-W423 HydrophobicContact CB-CG 3.94Å; R273-W423 HydrophobicContact CB-CZ2 4.23Å; R273-W423 HydrophobicContact CG-CD2 4.45Å; R273-W423 VanDerWaalsContact O-CZ2 3.32Å; R273-W423 WeakPolarHBondContact O-CZ2 3.37Å; R273-W423 PolarHBondContact O-NE1 2.72Å; I275-W423 HydrophobicContact CD1-CH2 4.04Å; I275-W423 HydrophobicContact CD1-CZ3 4.17Å; I275-W423 HydrophobicContact CG1-CH2 4.03Å; I275-W423 HydrophobicContact CG2-CH2 4.32Å; V416-W423 HydrophobicContact CG1-CH2 4.29Å; V416-W423 HydrophobicContact CG1-CZ2 4.45Å; G418-W423 VanDerWaalsContact C-NE1 3.31Å; G418-W423 PolarHBondContact O-NE1 3.4Å; D420-W423 PolarHBondContact O-N 2.91Å; W423-V425 PolarHBondContact O-N 2.83Å; W423-T426 CarbonylContact C-O 3.41Å; W423-V431 HydrophobicContact CE3-CG2 4.11Å; W423-V431 HydrophobicContact CH2-CG1 4.11Å; W423-V431 HydrophobicContact CH2-CG2 4.29Å; W423-V431 HydrophobicContact CZ3-CB 4.1Å; W423-V431 HydrophobicContact CZ3-CG1 4.16Å; W423-V431 HydrophobicContact CZ3-CG2 3.62Å
424	D	95.2	Very high	97.4	Very high	62 Å²	62	30.3 Å²	30.3	33%	0.332	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.7	-178.8	-106.8	11.6	0	0	0	112.9	K361 D420 L422	K361-D424 WeakPolarHBondContact CE-OD1 3.47Å; K361-D424 PolarHBondContact NZ-O 3.44Å; K361-D424 IonicContact NZ-OD1 3.87Å; K361-D424 PolarHBondContact NZ-OD1 2.86Å; K361-D424 IonicContact NZ-OD2 2.66Å; K361-D424 PolarHBondContact NZ-OD2 2.71Å; K361-D424 VanDerWaalsContact NZ-OD2 3.09Å; D420-D424 WeakPolarHBondContact O-CB 3.48Å; D420-D424 PolarHBondContact O-N 3.01Å; L422-D424 PolarHBondContact O-N 3.28Å
425	V	95.8	Very high	97.4	Very high	34 Å²	34	30.4 Å²	30.4	21%	0.206	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-1.8	-175.2	-62	0	0	0	0	112.8	L422 W423 S461 L472	L422-V425 PolarHBondContact O-N 2.89Å; W423-V425 PolarHBondContact O-N 2.83Å; V425-S461 WeakPolarHBondContact CG2-O 3.34Å; V425-L472 HydrophobicContact CB-CD1 4.36Å
426	T	95.3	Very high	97.3	Very high	17 Å²	17	31.1 Å²	31.1	10%	0.104	16%	0.159	C	C	.	.			trans	-133.6	141	178.4	60.2	0	0	0	0	111.6	L422 W423 V431 S461	L422-T426 PolarHBondContact O-N 3.2Å; L422-T426 PolarHBondContact O-OG1 3.1Å; W423-T426 CarbonylContact C-O 3.41Å; T426-V431 WeakPolarHBondContact OG1-CG2 3.43Å; T426-S461 VanDerWaalsContact CG2-OG 3.24Å; T426-S461 WeakPolarHBondContact CG2-OG 3.43Å
427	T	96.2	Very high	97.2	Very high	75 Å²	75	33.1 Å²	33.1	46%	0.46	17%	0.172	S	C	.	.			trans	-87.2	158.6	171.5	60.1	0	0	0	0	110.9	K429 E430 V431	T427-K429 PolarHBondContact O-N 3.04Å; T427-K429 VanDerWaalsContact O-N 3.08Å; T427-E430 PolarHBondContact N-OE2 2.67Å; T427-E430 PolarHBondContact O-N 2.93Å; T427-E430 VanDerWaalsContact OG1-CG 3.31Å; T427-E430 WeakPolarHBondContact OG1-CG 3.41Å; T427-E430 PolarHBondContact OG1-N 3.12Å; T427-E430 PolarHBondContact OG1-OE2 2.81Å; T427-V431 WeakPolarHBondContact O-CG2 3.35Å; T427-V431 PolarHBondContact O-N 2.7Å
428	D	97.5	Very high	97.1	Very high	38 Å²	38	35.8 Å²	35.8	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-54.1	-34.8	177	-55.8	-14.7	0	0	0	112.4	R273 I275 V282 A432	R273-D428 IonicContact CZ-OD1 2.91Å; R273-D428 IonicContact NH1-OD1 2.79Å; R273-D428 PolarHBondContact NH1-OD1 2.87Å; R273-D428 IonicContact NH1-OD2 2.64Å; I275-D428 HydrophobicContact CD1-CB 4.21Å; I275-D428 HydrophobicContact CG2-CB 4.43Å; V282-D428 HydrophobicContact CG1-CB 3.89Å; D428-A432 VanDerWaalsContact O-CB 3.3Å; D428-A432 WeakPolarHBondContact O-CB 3.5Å; D428-A432 PolarHBondContact O-N 3.4Å
429	K	97.2	Very high	97	Very high	157 Å²	157	35.8 Å²	35.8	68%	0.683	18%	0.182	S	C	*	.	H	α-helix	trans	-67.6	-43.8	176.2	-174.5	-179.7	176.9	-176.8	0	112.2	T427 V431 A432 E433	T427-K429 PolarHBondContact O-N 3.04Å; T427-K429 VanDerWaalsContact O-N 3.08Å; K429-V431 VanDerWaalsContact C-N 3.33Å; K429-A432 PolarHBondContact O-N 3.45Å; K429-E433 WeakPolarHBondContact O-CB 3.16Å; K429-E433 PolarHBondContact O-N 2.71Å
430	E	96.7	Very high	96.8	Very high	84 Å²	84	39.5 Å²	39.5	39%	0.393	21%	0.208	S	C	.	.	H	α-helix	trans	-65.8	-38.2	177.5	-73.6	164.2	143.3	0	0	111.3	T427 A434	T427-E430 PolarHBondContact N-OE2 2.67Å; T427-E430 PolarHBondContact O-N 2.93Å; T427-E430 VanDerWaalsContact OG1-CG 3.31Å; T427-E430 WeakPolarHBondContact OG1-CG 3.41Å; T427-E430 PolarHBondContact OG1-N 3.12Å; T427-E430 PolarHBondContact OG1-OE2 2.81Å; E430-A434 VanDerWaalsContact O-CB 3.29Å; E430-A434 WeakPolarHBondContact O-CB 3.5Å; E430-A434 PolarHBondContact O-N 3.42Å
431	V	97.8	Very high	96.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-50.6	172.9	173.2	0	0	0	0	110.5	I275 V416 W423 T426 T427 K429 E433 A434 V435 L457	I275-V431 HydrophobicContact CD1-CB 4.3Å; I275-V431 HydrophobicContact CD1-CG1 3.98Å; V416-V431 HydrophobicContact CB-CG1 4.47Å; V416-V431 HydrophobicContact CG1-CG1 4Å; V416-V431 HydrophobicContact CG2-CG1 4.44Å; W423-V431 HydrophobicContact CE3-CG2 4.11Å; W423-V431 HydrophobicContact CH2-CG1 4.11Å; W423-V431 HydrophobicContact CH2-CG2 4.29Å; W423-V431 HydrophobicContact CZ3-CB 4.1Å; W423-V431 HydrophobicContact CZ3-CG1 4.16Å; W423-V431 HydrophobicContact CZ3-CG2 3.62Å; T426-V431 WeakPolarHBondContact OG1-CG2 3.43Å; T427-V431 WeakPolarHBondContact O-CG2 3.35Å; T427-V431 PolarHBondContact O-N 2.7Å; K429-V431 VanDerWaalsContact C-N 3.33Å; V431-E433 PolarHBondContact O-N 3.39Å; V431-A434 PolarHBondContact O-N 2.88Å; V431-V435 HydrophobicContact CG1-CG2 4.43Å; V431-V435 WeakPolarHBondContact O-CG2 3.36Å; V431-V435 PolarHBondContact O-N 2.84Å; V431-L457 HydrophobicContact CB-CD1 4.41Å; V431-L457 HydrophobicContact CG1-CD1 4.2Å; V431-L457 HydrophobicContact CG1-CD2 3.82Å; V431-L457 HydrophobicContact CG2-CD1 4.2Å
432	A	98.2	Very high	96.5	Very high	7 Å²	7	49.2 Å²	49.2	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-45.2	179.4	0	0	0	0	0	112.5	I277 V282 D428 K429 A434 V435 S436	I277-A432 HydrophobicContact CD1-CB 4.1Å; I277-A432 HydrophobicContact CG1-CB 3.96Å; I277-A432 HydrophobicContact CG2-CB 4.44Å; V282-A432 HydrophobicContact CG2-CB 3.45Å; V282-A432 VanDerWaalsContact CG2-CB 3.45Å; D428-A432 VanDerWaalsContact O-CB 3.3Å; D428-A432 WeakPolarHBondContact O-CB 3.5Å; D428-A432 PolarHBondContact O-N 3.4Å; K429-A432 PolarHBondContact O-N 3.45Å; A432-A434 PolarHBondContact O-N 3.36Å; A432-V435 PolarHBondContact O-N 2.76Å; A432-S436 VanDerWaalsContact O-CB 3.26Å; A432-S436 WeakPolarHBondContact O-CB 3.45Å; A432-S436 PolarHBondContact O-N 3.49Å; A432-S436 PolarHBondContact O-OG 2.96Å
433	E	97.1	Very high	96.3	Very high	121 Å²	121	53.7 Å²	53.7	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-62	-44.2	177	-175.6	176.8	171.5	0	0	111.8	K429 V431 T437	K429-E433 WeakPolarHBondContact O-CB 3.16Å; K429-E433 PolarHBondContact O-N 2.71Å; V431-E433 PolarHBondContact O-N 3.39Å; E433-T437 WeakPolarHBondContact O-CB 3.36Å; E433-T437 PolarHBondContact O-N 2.65Å; E433-T437 PolarHBondContact O-OG1 3.12Å
434	A	96.4	Very high	96.1	Very high	6 Å²	6	56.8 Å²	56.8	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-46.9	179.3	0	0	0	0	0	111.9	E430 V431 A432 Y438 L457	E430-A434 VanDerWaalsContact O-CB 3.29Å; E430-A434 WeakPolarHBondContact O-CB 3.5Å; E430-A434 PolarHBondContact O-N 3.42Å; V431-A434 PolarHBondContact O-N 2.88Å; A432-A434 PolarHBondContact O-N 3.36Å; A434-Y438 WeakPolarHBondContact O-CB 3.32Å; A434-Y438 PolarHBondContact O-N 2.89Å; A434-Y438 VanDerWaalsContact O-N 3.09Å; A434-L457 HydrophobicContact CB-CD1 4.16Å
435	V	98	Very high	95.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-51	-179.1	174.4	0	0	0	0	111	I277 V414 V416 V431 A432 T437 Y438 L439 L457 I487	I277-V435 HydrophobicContact CD1-CB 3.82Å; I277-V435 HydrophobicContact CD1-CG1 3.94Å; I277-V435 HydrophobicContact CD1-CG2 4.32Å; V414-V435 HydrophobicContact CG2-CG1 3.77Å; V416-V435 HydrophobicContact CG2-CG2 4.29Å; V431-V435 HydrophobicContact CG1-CG2 4.43Å; V431-V435 WeakPolarHBondContact O-CG2 3.36Å; V431-V435 PolarHBondContact O-N 2.84Å; A432-V435 PolarHBondContact O-N 2.76Å; V435-T437 VanDerWaalsContact C-N 3.31Å; V435-T437 PolarHBondContact O-N 2.66Å; V435-Y438 PolarHBondContact O-N 3.4Å; V435-Y438 VanDerWaalsContact O-N 3.15Å; V435-L439 HydrophobicContact CG1-CD1 3.67Å; V435-L439 HydrophobicContact CG1-CG 4.18Å; V435-L439 WeakPolarHBondContact O-CG 3.21Å; V435-L439 PolarHBondContact O-N 3.26Å; V435-L457 HydrophobicContact CG2-CD2 3.87Å; V435-I487 HydrophobicContact CG1-CD1 4.22Å; V435-I487 HydrophobicContact CG2-CD1 3.88Å
436	S	97.1	Very high	95.7	Very high	15 Å²	15	59.3 Å²	59.3	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-42.4	177.5	-70.2	0	0	0	0	112	N280 A432 Y438 S440	N280-S436 WeakPolarHBondContact OD1-CB 3.47Å; N280-S436 PolarHBondContact OD1-OG 2.85Å; A432-S436 VanDerWaalsContact O-CB 3.26Å; A432-S436 WeakPolarHBondContact O-CB 3.45Å; A432-S436 PolarHBondContact O-N 3.49Å; A432-S436 PolarHBondContact O-OG 2.96Å; S436-Y438 VanDerWaalsContact C-N 3.32Å; S436-Y438 PolarHBondContact O-N 3.12Å; S436-S440 VanDerWaalsContact O-CB 3.29Å; S436-S440 WeakPolarHBondContact O-CB 3.32Å; S436-S440 PolarHBondContact O-N 2.92Å; S436-S440 PolarHBondContact O-OG 3.07Å
437	T	96.3	Very high	95.4	Very high	43 Å²	43	61.6 Å²	61.6	26%	0.264	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-37.2	178.6	-62.8	0	0	0	0	112.4	E433 V435 S440 R441	E433-T437 WeakPolarHBondContact O-CB 3.36Å; E433-T437 PolarHBondContact O-N 2.65Å; E433-T437 PolarHBondContact O-OG1 3.12Å; V435-T437 VanDerWaalsContact C-N 3.31Å; V435-T437 PolarHBondContact O-N 2.66Å; T437-S440 PolarHBondContact O-OG 2.94Å; T437-R441 WeakPolarHBondContact O-CD 3.21Å; T437-R441 WeakPolarHBondContact O-CG 3.31Å
438	Y	96.8	Very high	95.2	Very high	55 Å²	55	60 Å²	60	22%	0.216	32%	0.315	C	S	.	.	H	α-helix	trans	-69.9	-53.9	177.4	-174.1	-87.2	0	0	0	110.5	A434 V435 S436 S440 R441 C442 L452 A453 E456	A434-Y438 WeakPolarHBondContact O-CB 3.32Å; A434-Y438 PolarHBondContact O-N 2.89Å; A434-Y438 VanDerWaalsContact O-N 3.09Å; V435-Y438 PolarHBondContact O-N 3.4Å; V435-Y438 VanDerWaalsContact O-N 3.15Å; S436-Y438 VanDerWaalsContact C-N 3.32Å; S436-Y438 PolarHBondContact O-N 3.12Å; Y438-S440 VanDerWaalsContact C-N 3.33Å; Y438-S440 PolarHBondContact O-N 2.68Å; Y438-R441 PolarHBondContact O-N 3.01Å; Y438-R441 VanDerWaalsContact O-N 3.1Å; Y438-C442 WeakPolarHBondContact CE1-SG 3.39Å; Y438-C442 VanDerWaalsContact CZ-SG 3.56Å; Y438-C442 PolarHBondContact O-N 2.79Å; Y438-C442 PolarHBondContact O-SG 2.93Å; Y438-L452 HydrophobicContact CE1-CB 3.95Å; Y438-L452 WeakPolarHBondContact OH-CB 3.48Å; Y438-L452 WeakPolarHBondContact OH-CD1 3.47Å; Y438-A453 HydrophobicContact CD1-CB 3.49Å; Y438-A453 VanDerWaalsContact CD1-CB 3.49Å; Y438-A453 HydrophobicContact CE1-CB 3.94Å; Y438-A453 HydrophobicContact CG-CB 4.26Å; Y438-E456 HydrophobicContact CD2-CB 4Å; Y438-E456 HydrophobicContact CD2-CG 3.93Å; Y438-E456 HydrophobicContact CE2-CB 4.3Å
439	L	96.7	Very high	95.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-39.9	-176.6	-64.4	178.9	0	0	0	112.1	V414 V435 R441 C442 R449 Y450 A453	V414-L439 HydrophobicContact CG1-CD1 3.76Å; V414-L439 HydrophobicContact CG2-CD1 4.39Å; V435-L439 HydrophobicContact CG1-CD1 3.67Å; V435-L439 HydrophobicContact CG1-CG 4.18Å; V435-L439 WeakPolarHBondContact O-CG 3.21Å; V435-L439 PolarHBondContact O-N 3.26Å; L439-R441 PolarHBondContact O-N 2.7Å; L439-C442 PolarHBondContact O-N 3.24Å; L439-C442 VanDerWaalsContact O-N 3.08Å; L439-R449 HydrophobicContact CD2-CG 3.64Å; L439-R449 PolarHBondContact O-NH1 2.9Å; L439-R449 PolarHBondContact O-NH2 2.64Å; L439-Y450 HydrophobicContact CD1-CE1 4.34Å; L439-Y450 HydrophobicContact CD2-CD1 3.9Å; L439-Y450 HydrophobicContact CD2-CE1 3.99Å; L439-A453 HydrophobicContact CD2-CB 3.93Å
440	S	95.3	Very high	95.1	Very high	78 Å²	78	52.1 Å²	52.1	55%	0.545	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.9	180	81.7	0	0	0	0	114.2	S436 T437 Y438	S436-S440 VanDerWaalsContact O-CB 3.29Å; S436-S440 WeakPolarHBondContact O-CB 3.32Å; S436-S440 PolarHBondContact O-N 2.92Å; S436-S440 PolarHBondContact O-OG 3.07Å; T437-S440 PolarHBondContact O-OG 2.94Å; Y438-S440 VanDerWaalsContact C-N 3.33Å; Y438-S440 PolarHBondContact O-N 2.68Å
441	R	94.9	Very high	95.1	Very high	199 Å²	199	48.4 Å²	48.4	75%	0.751	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-9.1	-179.5	-63.4	175.9	-174.8	-176.4	2	113	T437 Y438 L439	T437-R441 WeakPolarHBondContact O-CD 3.21Å; T437-R441 WeakPolarHBondContact O-CG 3.31Å; Y438-R441 PolarHBondContact O-N 3.01Å; Y438-R441 VanDerWaalsContact O-N 3.1Å; L439-R441 PolarHBondContact O-N 2.7Å
442	C	93.4	Very high	95.1	Very high	28 Å²	28	51.1 Å²	51.1	19%	0.189	28%	0.276	C	S	.	.	S	Bend	trans	-96	155.3	-179.1	-69.8	0	0	0	0	110.9	Y438 L439 P444 R449	Y438-C442 WeakPolarHBondContact CE1-SG 3.39Å; Y438-C442 VanDerWaalsContact CZ-SG 3.56Å; Y438-C442 PolarHBondContact O-N 2.79Å; Y438-C442 PolarHBondContact O-SG 2.93Å; L439-C442 PolarHBondContact O-N 3.24Å; L439-C442 VanDerWaalsContact O-N 3.08Å; C442-P444 WeakPolarHBondContact O-CD 3.45Å; C442-R449 HydrophobicContact CB-CG 4.18Å; C442-R449 PolarHBondContact O-NH1 3Å
443	D	93.4	Very high	95.1	Very high	94 Å²	94	50.9 Å²	50.9	50%	0.503	27%	0.274	S	S	.	.			trans	-70.1	127.1	170.2	-172.3	-32.9	0	0	0	109.8	S445 D446 R449	D443-S445 PolarHBondContact O-N 2.81Å; D443-S445 VanDerWaalsContact O-N 3.14Å; D443-S445 WeakPolarHBondContact OD1-CB 3.17Å; D443-S445 PolarHBondContact OD1-N 2.86Å; D443-S445 PolarHBondContact OD1-OG 2.61Å; D443-S445 PolarHBondContact OD2-OG 3.41Å; D443-D446 HydrophobicContact CB-CB 4.36Å; D443-D446 WeakPolarHBondContact O-CB 3.32Å; D443-D446 PolarHBondContact O-N 3.3Å; D443-R449 PolarHBondContact O-NH1 3.11Å
444	P	92.1	Very high	95.1	Very high	77 Å²	77	45.1 Å²	45.1	50%	0.5	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.1	176.8	-28.6	37.6	0	0	0	114.5	P411 C442 R449	P411-P444 HydrophobicContact CB-CB 3.97Å; P411-P444 HydrophobicContact CG-CB 4.14Å; P411-P444 HydrophobicContact CG-CG 4.24Å; C442-P444 WeakPolarHBondContact O-CD 3.45Å; P444-R449 VanDerWaalsContact CA-NH1 3.27Å
445	S	90.4	Very high	95.2	Very high	91 Å²	91	47.4 Å²	47.4	64%	0.636	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.5	178	70.1	0	0	0	0	114.2	D443 P447	D443-S445 PolarHBondContact O-N 2.81Å; D443-S445 VanDerWaalsContact O-N 3.14Å; D443-S445 WeakPolarHBondContact OD1-CB 3.17Å; D443-S445 PolarHBondContact OD1-N 2.86Å; D443-S445 PolarHBondContact OD1-OG 2.61Å; D443-S445 PolarHBondContact OD2-OG 3.41Å; S445-P447 WeakPolarHBondContact O-CD 3.33Å
446	D	92	Very high	95.2	Very high	58 Å²	58	50 Å²	50	31%	0.31	27%	0.268	S	S	.	.			trans	-65.7	117.2	179.5	-178	-8	0	0	0	110.2	D443 M448 R449	D443-D446 HydrophobicContact CB-CB 4.36Å; D443-D446 WeakPolarHBondContact O-CB 3.32Å; D443-D446 PolarHBondContact O-N 3.3Å; D446-M448 PolarHBondContact O-N 2.78Å; D446-M448 VanDerWaalsContact O-N 3.11Å; D446-M448 PolarHBondContact OD1-N 3.44Å; D446-R449 HydrophobicContact CB-CB 4.25Å; D446-R449 WeakPolarHBondContact O-CB 3.4Å; D446-R449 PolarHBondContact O-N 2.9Å; D446-R449 VanDerWaalsContact O-N 3.09Å
447	P	89.4	Confident	95.2	Very high	65 Å²	65	49.4 Å²	49.4	42%	0.422	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.9	-179.2	28.4	-37.5	0	0	0	114.3	S445	S445-P447 WeakPolarHBondContact O-CD 3.33Å
448	M	92.8	Very high	95.3	Very high	41 Å²	41	47.3 Å²	47.3	20%	0.202	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	0.8	178.6	-59.7	-72.7	81.3	0	0	113.2	D446 Y450 T451 L452	D446-M448 PolarHBondContact O-N 2.78Å; D446-M448 VanDerWaalsContact O-N 3.11Å; D446-M448 PolarHBondContact OD1-N 3.44Å; M448-Y450 PolarHBondContact O-N 3.09Å; M448-T451 PolarHBondContact O-N 3.1Å; M448-T451 VanDerWaalsContact O-N 3.12Å; M448-L452 HydrophobicContact CB-CD1 4.03Å; M448-L452 HydrophobicContact CB-CG 4.11Å; M448-L452 WeakPolarHBondContact O-CG 3.49Å; M448-L452 PolarHBondContact O-N 2.75Å
449	R	94.8	Very high	95.3	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.011	26%	0.256	C	S	.	.	H	α-helix	trans	-43.9	-55.8	-177.2	180	-173.2	-173	82.8	0.5	112.7	D412 L439 C442 D443 P444 D446 A453	D412-R449 IonicContact OD1-CZ 3.39Å; D412-R449 IonicContact OD1-NH2 3.37Å; D412-R449 PolarHBondContact OD1-NH2 3.3Å; L439-R449 HydrophobicContact CD2-CG 3.64Å; L439-R449 PolarHBondContact O-NH1 2.9Å; L439-R449 PolarHBondContact O-NH2 2.64Å; C442-R449 HydrophobicContact CB-CG 4.18Å; C442-R449 PolarHBondContact O-NH1 3Å; D443-R449 PolarHBondContact O-NH1 3.11Å; P444-R449 VanDerWaalsContact CA-NH1 3.27Å; D446-R449 HydrophobicContact CB-CB 4.25Å; D446-R449 WeakPolarHBondContact O-CB 3.4Å; D446-R449 PolarHBondContact O-N 2.9Å; D446-R449 VanDerWaalsContact O-N 3.09Å; R449-A453 WeakPolarHBondContact O-CB 3.35Å; R449-A453 PolarHBondContact O-N 2.92Å
450	Y	97.3	Very high	95.3	Very high	27 Å²	27	53.1 Å²	53.1	11%	0.106	28%	0.276	C	S	.	.	H	α-helix	trans	-77.2	-33.1	-175.8	-54.7	-66.1	0	0	0	112.8	G81 G83 P411 V414 L439 M448 A453 A454 I487 P489	G81-Y450 WeakPolarHBondContact O-CD2 3.18Å; G83-Y450 VanDerWaalsContact CA-C 3.47Å; P411-Y450 PolarHBondContact O-OH 2.94Å; V414-Y450 HydrophobicContact CG1-CD1 4.06Å; V414-Y450 HydrophobicContact CG1-CE1 3.78Å; L439-Y450 HydrophobicContact CD1-CE1 4.34Å; L439-Y450 HydrophobicContact CD2-CD1 3.9Å; L439-Y450 HydrophobicContact CD2-CE1 3.99Å; M448-Y450 PolarHBondContact O-N 3.09Å; Y450-A453 PolarHBondContact O-N 2.69Å; Y450-A454 WeakPolarHBondContact O-CB 3.1Å; Y450-A454 PolarHBondContact O-N 3.4Å; Y450-I487 HydrophobicContact CD1-CG2 3.87Å; Y450-I487 HydrophobicContact CG-CG2 4.43Å; Y450-P489 HydrophobicContact CD2-CB 4.34Å; Y450-P489 HydrophobicContact CD2-CG 4Å; Y450-P489 HydrophobicContact CE1-CB 4Å; Y450-P489 HydrophobicContact CE2-CB 3.68Å; Y450-P489 HydrophobicContact CE2-CG 3.67Å; Y450-P489 VanDerWaalsContact CZ-CB 3.49Å
451	T	97.1	Very high	95.3	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.037	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-44.6	174.8	-58.6	0	0	0	0	111.2	T71 L72 M448 A454 Q455	T71-T451 HydrophobicContact CG2-CG2 4.45Å; L72-T451 HydrophobicContact CB-CG2 4.35Å; L72-T451 HydrophobicContact CG-CG2 4.5Å; M448-T451 PolarHBondContact O-N 3.1Å; M448-T451 VanDerWaalsContact O-N 3.12Å; T451-A454 PolarHBondContact O-N 2.78Å; T451-Q455 WeakPolarHBondContact O-CB 3.31Å; T451-Q455 PolarHBondContact O-N 2.78Å
452	L	97	Very high	95.4	Very high	57 Å²	57	41.8 Å²	41.8	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-72.1	-32.1	178.3	-63.5	173.7	0	0	0	111.9	Y438 M448 Q455 E456	Y438-L452 HydrophobicContact CE1-CB 3.95Å; Y438-L452 WeakPolarHBondContact OH-CB 3.48Å; Y438-L452 WeakPolarHBondContact OH-CD1 3.47Å; M448-L452 HydrophobicContact CB-CD1 4.03Å; M448-L452 HydrophobicContact CB-CG 4.11Å; M448-L452 WeakPolarHBondContact O-CG 3.49Å; M448-L452 PolarHBondContact O-N 2.75Å; L452-Q455 PolarHBondContact O-N 2.84Å; L452-E456 WeakPolarHBondContact O-CB 3.38Å; L452-E456 PolarHBondContact O-N 3.38Å
453	A	98.1	Very high	95.5	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-43.3	170.1	0	0	0	0	0	111.5	Y438 L439 R449 Y450 E456 L457 I487	Y438-A453 HydrophobicContact CD1-CB 3.49Å; Y438-A453 VanDerWaalsContact CD1-CB 3.49Å; Y438-A453 HydrophobicContact CE1-CB 3.94Å; Y438-A453 HydrophobicContact CG-CB 4.26Å; L439-A453 HydrophobicContact CD2-CB 3.93Å; R449-A453 WeakPolarHBondContact O-CB 3.35Å; R449-A453 PolarHBondContact O-N 2.92Å; Y450-A453 PolarHBondContact O-N 2.69Å; A453-E456 PolarHBondContact O-N 3.14Å; A453-L457 WeakPolarHBondContact O-CB 2.99Å; A453-L457 PolarHBondContact O-N 3.43Å; A453-I487 VanDerWaalsContact C-CD1 3.45Å; A453-I487 HydrophobicContact CB-CD1 3.57Å
454	A	98.5	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-41.9	176.7	0	0	0	0	0	111	A85 Y450 T451 L457 L458 V485 I487	A85-A454 HydrophobicContact CB-CB 4.03Å; Y450-A454 WeakPolarHBondContact O-CB 3.1Å; Y450-A454 PolarHBondContact O-N 3.4Å; T451-A454 PolarHBondContact O-N 2.78Å; A454-L457 PolarHBondContact O-N 3.16Å; A454-L458 VanDerWaalsContact O-CB 3.32Å; A454-L458 WeakPolarHBondContact O-CB 3.47Å; A454-L458 PolarHBondContact O-N 2.71Å; A454-V485 HydrophobicContact CB-CG1 4.22Å; A454-I487 HydrophobicContact CB-CD1 4.12Å; A454-I487 HydrophobicContact CB-CG1 4.03Å; A454-I487 VanDerWaalsContact N-CD1 3.34Å
455	Q	98.1	Very high	95.6	Very high	54 Å²	54	41.6 Å²	41.6	25%	0.252	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-48	175.6	-171.6	-177	-8.8	0	0	112	V69 T71 A85 T451 L452 L458 M459	V69-Q455 HydrophobicContact CG1-CG 3.92Å; T71-Q455 HydrophobicContact CG2-CB 4.01Å; T71-Q455 HydrophobicContact CG2-CG 4Å; A85-Q455 HydrophobicContact CB-CB 4.46Å; T451-Q455 WeakPolarHBondContact O-CB 3.31Å; T451-Q455 PolarHBondContact O-N 2.78Å; L452-Q455 PolarHBondContact O-N 2.84Å; Q455-L458 PolarHBondContact O-N 3Å; Q455-M459 HydrophobicContact CG-CE 4.13Å; Q455-M459 HydrophobicContact CG-SD 4.42Å; Q455-M459 WeakPolarHBondContact O-CB 3.25Å; Q455-M459 VanDerWaalsContact O-CG 3.27Å; Q455-M459 WeakPolarHBondContact O-CG 3.45Å; Q455-M459 PolarHBondContact O-N 2.87Å
456	E	97.1	Very high	95.7	Very high	55 Å²	55	40.9 Å²	40.9	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-60.9	-45.8	177.9	175.1	64.9	-169.3	0	0	111.2	Y438 L452 A453 M459 R460	Y438-E456 HydrophobicContact CD2-CB 4Å; Y438-E456 HydrophobicContact CD2-CG 3.93Å; Y438-E456 HydrophobicContact CE2-CB 4.3Å; L452-E456 WeakPolarHBondContact O-CB 3.38Å; L452-E456 PolarHBondContact O-N 3.38Å; A453-E456 PolarHBondContact O-N 3.14Å; E456-M459 PolarHBondContact O-N 3.05Å; E456-R460 WeakPolarHBondContact O-CG 3.44Å; E456-R460 PolarHBondContact O-N 3.39Å; E456-R460 VanDerWaalsContact O-N 3.08Å; E456-R460 IonicContact OE1-CZ 3.7Å; E456-R460 IonicContact OE1-NE 3.48Å; E456-R460 PolarHBondContact OE1-NE 2.79Å; E456-R460 IonicContact OE1-NH2 2.59Å; E456-R460 PolarHBondContact OE1-NH2 3.06Å
457	L	98	Very high	95.4	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-47.6	177.1	179.6	59.5	0	0	0	111.5	V416 L422 V431 A434 V435 A453 A454 M459 R460 S461 V485	V416-L457 HydrophobicContact CG1-CD2 3.92Å; L422-L457 HydrophobicContact CD1-CD1 4.18Å; L422-L457 HydrophobicContact CD1-CD2 4.33Å; L422-L457 HydrophobicContact CD1-CG 3.96Å; L422-L457 HydrophobicContact CD2-CD2 4.18Å; V431-L457 HydrophobicContact CB-CD1 4.41Å; V431-L457 HydrophobicContact CG1-CD1 4.2Å; V431-L457 HydrophobicContact CG1-CD2 3.82Å; V431-L457 HydrophobicContact CG2-CD1 4.2Å; A434-L457 HydrophobicContact CB-CD1 4.16Å; V435-L457 HydrophobicContact CG2-CD2 3.87Å; A453-L457 WeakPolarHBondContact O-CB 2.99Å; A453-L457 PolarHBondContact O-N 3.43Å; A454-L457 PolarHBondContact O-N 3.16Å; L457-M459 PolarHBondContact O-N 3.31Å; L457-R460 WeakPolarHBondContact O-CB 3.25Å; L457-R460 PolarHBondContact O-N 3.34Å; L457-S461 PolarHBondContact O-N 3.35Å; L457-S461 PolarHBondContact O-OG 3.16Å; L457-V485 HydrophobicContact CD2-CG1 3.94Å
458	L	98.1	Very high	95.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-45.9	177.4	-178	155.9	0	0	0	111.6	V69 A85 E86 A87 A454 Q455 R460 S461 R462 I483 V485	V69-L458 HydrophobicContact CB-CD2 4.26Å; V69-L458 HydrophobicContact CG1-CD1 4.32Å; V69-L458 HydrophobicContact CG1-CD2 3.75Å; V69-L458 HydrophobicContact CG2-CD2 3.58Å; A85-L458 HydrophobicContact CB-CB 4.23Å; A85-L458 HydrophobicContact CB-CD1 3.86Å; E86-L458 VanDerWaalsContact C-CD1 3.41Å; A87-L458 HydrophobicContact CB-CD1 4.27Å; A87-L458 HydrophobicContact CB-CD2 3.88Å; A454-L458 VanDerWaalsContact O-CB 3.32Å; A454-L458 WeakPolarHBondContact O-CB 3.47Å; A454-L458 PolarHBondContact O-N 2.71Å; Q455-L458 PolarHBondContact O-N 3Å; L458-R460 VanDerWaalsContact C-N 3.26Å; L458-R460 PolarHBondContact O-N 3.3Å; L458-S461 PolarHBondContact O-N 3.26Å; L458-S461 VanDerWaalsContact O-N 3.14Å; L458-R462 HydrophobicContact CD2-CB 4.3Å; L458-R462 WeakPolarHBondContact O-CB 3.3Å; L458-R462 PolarHBondContact O-N 3.24Å; L458-I483 HydrophobicContact CD1-CB 4.19Å; L458-I483 HydrophobicContact CD1-CG2 4.09Å; L458-I483 HydrophobicContact CG-CB 4.22Å; L458-I483 HydrophobicContact CG-CG2 3.93Å; L458-V485 HydrophobicContact CB-CG2 4.23Å
459	M	97.2	Very high	95.1	Very high	63 Å²	63	54 Å²	54	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-38.2	179.6	-76.8	-171.8	-58	0	0	112.1	V69 Q455 E456 L457 G463	V69-M459 HydrophobicContact CG2-CG 3.9Å; Q455-M459 HydrophobicContact CG-CE 4.13Å; Q455-M459 HydrophobicContact CG-SD 4.42Å; Q455-M459 WeakPolarHBondContact O-CB 3.25Å; Q455-M459 VanDerWaalsContact O-CG 3.27Å; Q455-M459 WeakPolarHBondContact O-CG 3.45Å; Q455-M459 PolarHBondContact O-N 2.87Å; E456-M459 PolarHBondContact O-N 3.05Å; L457-M459 PolarHBondContact O-N 3.31Å; M459-G463 PolarHBondContact O-N 3.24Å
460	R	95.8	Very high	95	Very high	114 Å²	114	55.3 Å²	55.3	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-60.2	-47.4	175	-72.9	172.5	-179	-130.4	-1	111.2	E456 L457 L458 G463 L472	E456-R460 WeakPolarHBondContact O-CG 3.44Å; E456-R460 PolarHBondContact O-N 3.39Å; E456-R460 VanDerWaalsContact O-N 3.08Å; E456-R460 IonicContact OE1-CZ 3.7Å; E456-R460 IonicContact OE1-NE 3.48Å; E456-R460 PolarHBondContact OE1-NE 2.79Å; E456-R460 IonicContact OE1-NH2 2.59Å; E456-R460 PolarHBondContact OE1-NH2 3.06Å; L457-R460 WeakPolarHBondContact O-CB 3.25Å; L457-R460 PolarHBondContact O-N 3.34Å; L458-R460 VanDerWaalsContact C-N 3.26Å; L458-R460 PolarHBondContact O-N 3.3Å; R460-G463 PolarHBondContact O-N 3.17Å; R460-L472 WeakPolarHBondContact O-CD2 3.24Å
461	S	96.7	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.9	-40.4	-177.5	-55.4	0	0	0	0	112.9	L422 V425 T426 L457 L458 G463 S479	L422-S461 WeakPolarHBondContact CD1-OG 3.27Å; V425-S461 WeakPolarHBondContact CG2-O 3.34Å; T426-S461 VanDerWaalsContact CG2-OG 3.24Å; T426-S461 WeakPolarHBondContact CG2-OG 3.43Å; L457-S461 PolarHBondContact O-N 3.35Å; L457-S461 PolarHBondContact O-OG 3.16Å; L458-S461 PolarHBondContact O-N 3.26Å; L458-S461 VanDerWaalsContact O-N 3.14Å; S461-G463 VanDerWaalsContact C-N 3.26Å; S461-G463 PolarHBondContact O-N 3.49Å; S461-S479 PolarHBondContact O-N 3.34Å
462	R	97	Very high	94.7	Very high	39 Å²	39	57 Å²	57	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-38.8	173.1	-170.9	-170.7	66.9	167.1	-3.2	111.5	R67 L458 W470 I483	R67-R462 PolarHBondContact O-NH1 3.36Å; L458-R462 HydrophobicContact CD2-CB 4.3Å; L458-R462 WeakPolarHBondContact O-CB 3.3Å; L458-R462 PolarHBondContact O-N 3.24Å; R462-W470 HydrophobicContact CG-CE3 4.11Å; R462-W470 HydrophobicContact CG-CZ3 4.1Å; R462-I483 HydrophobicContact CB-CD1 3.86Å; R462-I483 HydrophobicContact CG-CD1 4.48Å
463	G	95.1	Very high	94.2	Very high	4 Å²	4	60.1 Å²	60.1	4%	0.041	29%	0.29	C	S	.	.			trans	71.6	-165.2	-174	0	0	0	0	0	112.9	M459 R460 S461 R471	M459-G463 PolarHBondContact O-N 3.24Å; R460-G463 PolarHBondContact O-N 3.17Å; S461-G463 VanDerWaalsContact C-N 3.26Å; S461-G463 PolarHBondContact O-N 3.49Å; G463-R471 VanDerWaalsContact CA-O 3.3Å; G463-R471 WeakPolarHBondContact CA-O 3.32Å
464	V	94	Very high	93.8	Very high	95 Å²	95	63.9 Å²	63.9	58%	0.576	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.4	-179.3	-178	0	0	0	0	109.7	K466 W470 R471	V464-K466 PolarHBondContact O-N 2.82Å; V464-W470 WeakPolarHBondContact O-CA 3.34Å; V464-R471 PolarHBondContact N-O 2.96Å; V464-R471 PolarHBondContact O-N 2.83Å
465	L	93.3	Very high	93.5	Very high	96 Å²	96	69.2 Å²	69.2	50%	0.503	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	120.7	174.7	-175.6	62.8	0	0	0	110.4	W470	L465-W470 HydrophobicContact CB-CD2 4.29Å; L465-W470 HydrophobicContact CB-CE3 4.33Å; L465-W470 HydrophobicContact CB-CH2 4.21Å; L465-W470 HydrophobicContact CB-CZ2 4.17Å; L465-W470 HydrophobicContact CB-CZ3 4.3Å; L465-W470 HydrophobicContact CD1-CD2 4.46Å
466	K	91.9	Very high	93.2	Very high	77 Å²	77	73 Å²	73	34%	0.335	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	175.3	171.1	-59.6	-171.6	-172.8	171.2	0	109.5	V464 R468 G469 R471 E475	V464-K466 PolarHBondContact O-N 2.82Å; K466-R468 PolarHBondContact O-N 3.46Å; K466-G469 PolarHBondContact N-O 2.8Å; K466-G469 PolarHBondContact O-N 3.03Å; K466-R471 HydrophobicContact CB-CG 4.25Å; K466-R471 HydrophobicContact CD-CB 3.93Å; K466-R471 HydrophobicContact CD-CG 4.07Å; K466-R471 HydrophobicContact CG-CB 4.29Å; K466-R471 HydrophobicContact CG-CG 4.32Å; K466-E475 IonicContact NZ-OE1 2.61Å; K466-E475 PolarHBondContact NZ-OE1 3.08Å; K466-E475 IonicContact NZ-OE2 2.84Å; K466-E475 PolarHBondContact NZ-OE2 3.13Å
467	E	87.1	Confident	93	Very high	202 Å²	202	75.6 Å²	75.6	94%	0.944	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.6	178.7	-66	-176	169.9	0	0	113.6
468	R	84	Confident	92.9	Very high	208 Å²	208	75.8 Å²	75.8	79%	0.785	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	26.9	-179.9	-59.5	-176	-178	-176.7	0.2	113.1	K466 R471	K466-R468 PolarHBondContact O-N 3.46Å; R468-R471 PolarHBondContact O-NE 3.03Å; R468-R471 VanDerWaalsContact O-NE 3.16Å; R468-R471 PolarHBondContact O-NH2 3.21Å
469	G	90.3	Very high	92.8	Very high	28 Å²	28	76 Å²	76	29%	0.289	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91	-166.1	-178.8	0	0	0	0	0	113.8	K466	K466-G469 PolarHBondContact N-O 2.8Å; K466-G469 PolarHBondContact O-N 3.03Å
470	W	93	Very high	92.7	Very high	31 Å²	31	74.4 Å²	74.4	12%	0.117	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.7	-179.8	-65.1	90.7	0	0	0	111.3	A65 R67 R462 V464 L465 G478	A65-W470 WeakPolarHBondContact O-CZ2 3.39Å; R67-W470 HydrophobicContact CB-CH2 3.94Å; R67-W470 HydrophobicContact CB-CZ2 3.93Å; R67-W470 HydrophobicContact CG-CH2 4.17Å; R67-W470 HydrophobicContact CG-CZ2 3.62Å; R462-W470 HydrophobicContact CG-CE3 4.11Å; R462-W470 HydrophobicContact CG-CZ3 4.1Å; V464-W470 WeakPolarHBondContact O-CA 3.34Å; L465-W470 HydrophobicContact CB-CD2 4.29Å; L465-W470 HydrophobicContact CB-CE3 4.33Å; L465-W470 HydrophobicContact CB-CH2 4.21Å; L465-W470 HydrophobicContact CB-CZ2 4.17Å; L465-W470 HydrophobicContact CB-CZ3 4.3Å; L465-W470 HydrophobicContact CD1-CD2 4.46Å; W470-G478 PolarHBondContact O-N 2.9Å
471	R	94.6	Very high	92.8	Very high	53 Å²	53	70.2 Å²	70.2	20%	0.2	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.3	-173.8	-61.1	-66.2	169.5	178.9	-6.6	112.5	G463 V464 K466 R468 E475 K476	G463-R471 VanDerWaalsContact CA-O 3.3Å; G463-R471 WeakPolarHBondContact CA-O 3.32Å; V464-R471 PolarHBondContact N-O 2.96Å; V464-R471 PolarHBondContact O-N 2.83Å; K466-R471 HydrophobicContact CB-CG 4.25Å; K466-R471 HydrophobicContact CD-CB 3.93Å; K466-R471 HydrophobicContact CD-CG 4.07Å; K466-R471 HydrophobicContact CG-CB 4.29Å; K466-R471 HydrophobicContact CG-CG 4.32Å; R468-R471 PolarHBondContact O-NE 3.03Å; R468-R471 VanDerWaalsContact O-NE 3.16Å; R468-R471 PolarHBondContact O-NH2 3.21Å; R471-E475 WeakPolarHBondContact CD-O 3.39Å; R471-E475 PolarHBondContact NH1-O 3.42Å; R471-K476 WeakPolarHBondContact CA-O 3.47Å; R471-K476 WeakPolarHBondContact CD-O 3.31Å
472	L	92.9	Very high	92.9	Very high	15 Å²	15	70.3 Å²	70.3	8%	0.079	36%	0.356	C	S	.	.			trans	-73.2	166.7	167.8	-58	-175.6	0	0	0	110.6	V425 R460 N474 E475 K476	V425-L472 HydrophobicContact CB-CD1 4.36Å; R460-L472 WeakPolarHBondContact O-CD2 3.24Å; L472-N474 WeakPolarHBondContact CB-OD1 3.17Å; L472-N474 PolarHBondContact O-N 3.4Å; L472-N474 VanDerWaalsContact O-N 3.13Å; L472-E475 PolarHBondContact O-N 2.85Å; L472-K476 HydrophobicContact CD1-CB 4.22Å; L472-K476 PolarHBondContact N-O 3.35Å
473	P	88.3	Confident	92.9	Very high	123 Å²	123	68.5 Å²	68.5	80%	0.799	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.9	176.6	-27.8	36.4	0	0	0	114.7	E475	P473-E475 VanDerWaalsContact C-N 3.29Å; P473-E475 PolarHBondContact O-N 3.1Å
474	N	89.1	Confident	93.1	Very high	82 Å²	82	68.3 Å²	68.3	44%	0.439	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	15.5	177.7	63.9	12.7	0	0	0	113.8	L472 K476	L472-N474 WeakPolarHBondContact CB-OD1 3.17Å; L472-N474 PolarHBondContact O-N 3.4Å; L472-N474 VanDerWaalsContact O-N 3.13Å; N474-K476 PolarHBondContact O-N 3.01Å; N474-K476 VanDerWaalsContact O-N 3.08Å; N474-K476 WeakPolarHBondContact OD1-CB 3.4Å; N474-K476 VanDerWaalsContact OD1-CG 3.31Å; N474-K476 WeakPolarHBondContact OD1-CG 3.1Å; N474-K476 PolarHBondContact OD1-N 3.21Å; N474-K476 VanDerWaalsContact OD1-N 3.08Å
475	E	91.1	Very high	93.3	Very high	112 Å²	112	63.8 Å²	63.8	52%	0.523	32%	0.32	S	S	.	.	S	Bend	trans	64	2.3	-177.1	-54.5	-59.8	157.7	0	0	116	K466 R471 L472 P473	K466-E475 IonicContact NZ-OE1 2.61Å; K466-E475 PolarHBondContact NZ-OE1 3.08Å; K466-E475 IonicContact NZ-OE2 2.84Å; K466-E475 PolarHBondContact NZ-OE2 3.13Å; R471-E475 WeakPolarHBondContact CD-O 3.39Å; R471-E475 PolarHBondContact NH1-O 3.42Å; L472-E475 PolarHBondContact O-N 2.85Å; P473-E475 VanDerWaalsContact C-N 3.29Å; P473-E475 PolarHBondContact O-N 3.1Å
476	K	92.5	Very high	93.6	Very high	133 Å²	133	59.2 Å²	59.2	58%	0.578	30%	0.296	S	S	*	.	S	Bend	trans	-65.1	160	167.4	-63.3	-178.6	-175.6	175.8	0	110.2	R471 L472 N474 G478	R471-K476 WeakPolarHBondContact CA-O 3.47Å; R471-K476 WeakPolarHBondContact CD-O 3.31Å; L472-K476 HydrophobicContact CD1-CB 4.22Å; L472-K476 PolarHBondContact N-O 3.35Å; N474-K476 PolarHBondContact O-N 3.01Å; N474-K476 VanDerWaalsContact O-N 3.08Å; N474-K476 WeakPolarHBondContact OD1-CB 3.4Å; N474-K476 VanDerWaalsContact OD1-CG 3.31Å; N474-K476 WeakPolarHBondContact OD1-CG 3.1Å; N474-K476 PolarHBondContact OD1-N 3.21Å; N474-K476 VanDerWaalsContact OD1-N 3.08Å; K476-G478 PolarHBondContact O-N 2.92Å
477	L	93.3	Very high	93.9	Very high	110 Å²	110	55.5 Å²	55.5	58%	0.576	28%	0.28	S	S	*	.	B	Isolated β-bridge	trans	-59.7	129.5	174.2	-74.3	167.3	0	0	0	109.5
478	G	95.1	Very high	94.4	Very high	7 Å²	7	46 Å²	46	7%	0.072	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-71.6	168.8	162.5	0	0	0	0	0	110.1	W470 K476 G480	W470-G478 PolarHBondContact O-N 2.9Å; K476-G478 PolarHBondContact O-N 2.92Å; G478-G480 PolarHBondContact O-N 2.88Å
479	S	96.4	Very high	95.1	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.028	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-62.1	128.7	178.9	174.3	0	0	0	0	110.4	R67 G421 S461 D481	R67-S479 PolarHBondContact NH1-O 3Å; R67-S479 PolarHBondContact NH2-O 2.93Å; G421-S479 WeakPolarHBondContact CA-OG 3.48Å; G421-S479 WeakPolarHBondContact O-CB 3.37Å; G421-S479 PolarHBondContact O-OG 2.94Å; S461-S479 PolarHBondContact O-N 3.34Å; S479-D481 PolarHBondContact OG-N 3.35Å; S479-D481 VanDerWaalsContact OG-N 3.16Å
480	G	95.4	Very high	95.3	Very high	29 Å²	29	35 Å²	35	30%	0.299	19%	0.186	S	C	.	.			trans	-91.4	-1.2	171.3	0	0	0	0	0	113.1	N89 A90 K92 G478	N89-G480 WeakPolarHBondContact CB-O 3.48Å; A90-G480 PolarHBondContact N-O 3.31Å; K92-G480 VanDerWaalsContact CE-O 3.25Å; K92-G480 WeakPolarHBondContact CE-O 3.38Å; G478-G480 PolarHBondContact O-N 2.88Å
481	D	97.1	Very high	95.2	Very high	27 Å²	27	34.8 Å²	34.8	14%	0.144	19%	0.191	C	C	.	.	S	Bend	trans	-96.8	170.7	-173.4	-128.6	-9.7	0	0	0	113.8	R67 N89 K92 S479 I483	R67-D481 PolarHBondContact NH2-O 2.98Å; N89-D481 VanDerWaalsContact CA-C 3.41Å; N89-D481 WeakPolarHBondContact CA-O 3.24Å; N89-D481 VanDerWaalsContact CB-C 3.49Å; K92-D481 WeakPolarHBondContact CD-OD1 3.34Å; K92-D481 IonicContact NZ-OD1 2.69Å; K92-D481 PolarHBondContact NZ-OD1 3.38Å; K92-D481 IonicContact NZ-OD2 3.09Å; K92-D481 PolarHBondContact NZ-OD2 2.95Å; S479-D481 PolarHBondContact OG-N 3.35Å; S479-D481 VanDerWaalsContact OG-N 3.16Å; D481-I483 WeakPolarHBondContact O-CG1 3.31Å
482	D	98.5	Very high	94.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.011	21%	0.206	C	C	.	.			trans	-58.3	138.8	161.5	-72.9	-45.8	0	0	0	107.9	I88 N89 N96 E97 D98 G421	I88-D482 VanDerWaalsContact C-OD1 3.28Å; I88-D482 WeakPolarHBondContact CA-OD1 3.42Å; N89-D482 PolarHBondContact N-OD1 3.36Å; N89-D482 PolarHBondContact ND2-OD1 2.9Å; N89-D482 VanDerWaalsContact ND2-OD1 3.12Å; N89-D482 PolarHBondContact ND2-OD2 2.82Å; N89-D482 VanDerWaalsContact ND2-OD2 3.1Å; N96-D482 WeakPolarHBondContact CA-OD1 3.18Å; N96-D482 VanDerWaalsContact CG-OD1 3.28Å; N96-D482 VanDerWaalsContact ND2-CG 3.27Å; N96-D482 PolarHBondContact ND2-OD1 2.89Å; E97-D482 PolarHBondContact N-OD2 3.37Å; D98-D482 HydrophobicContact CB-CB 4.32Å; G421-D482 WeakPolarHBondContact CA-O 3.42Å
483	I	98.7	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.7	-179.8	-46.2	177.7	0	0	0	107.1	E86 A87 L422 L458 R462 D481 V485	E86-I483 CarbonylContact C-O 3.54Å; E86-I483 WeakPolarHBondContact CA-O 3.45Å; A87-I483 PolarHBondContact N-O 3.08Å; A87-I483 PolarHBondContact O-N 3.11Å; L422-I483 HydrophobicContact CB-CG2 4.18Å; L458-I483 HydrophobicContact CD1-CB 4.19Å; L458-I483 HydrophobicContact CD1-CG2 4.09Å; L458-I483 HydrophobicContact CG-CB 4.22Å; L458-I483 HydrophobicContact CG-CG2 3.93Å; R462-I483 HydrophobicContact CB-CD1 3.86Å; R462-I483 HydrophobicContact CG-CD1 4.48Å; D481-I483 WeakPolarHBondContact O-CG1 3.31Å; I483-V485 HydrophobicContact CG2-CG2 4.03Å
484	T	98.8	Very high	92.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.5	173.6	-64.6	0	0	0	0	109.1	Y84 D98 A100 V136 G418 T419	Y84-T484 HydrophobicContact CE2-CG2 3.53Å; Y84-T484 VanDerWaalsContact OH-CG2 3.3Å; Y84-T484 WeakPolarHBondContact OH-CG2 3.31Å; D98-T484 WeakPolarHBondContact CB-OG1 3.2Å; D98-T484 WeakPolarHBondContact OD2-CB 3.39Å; D98-T484 PolarHBondContact OD2-N 3.43Å; D98-T484 PolarHBondContact OD2-OG1 3.31Å; A100-T484 HydrophobicContact CB-CG2 4.32Å; V136-T484 HydrophobicContact CG1-CG2 3.93Å; V136-T484 HydrophobicContact CG2-CG2 4.11Å; G418-T484 WeakPolarHBondContact CA-O 3.37Å; T419-T484 PolarHBondContact N-O 3.24Å; T419-T484 PolarHBondContact OG1-N 3.37Å
485	V	98.7	Very high	91	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.5	-175.9	-175.6	0	0	0	0	111	Y84 A85 V416 M417 L422 A454 L457 L458 I483 I487	Y84-V485 WeakPolarHBondContact CA-O 3.36Å; Y84-V485 WeakPolarHBondContact CD2-O 3.46Å; A85-V485 PolarHBondContact N-O 2.84Å; A85-V485 VanDerWaalsContact N-O 3.08Å; A85-V485 PolarHBondContact O-N 3.46Å; V416-V485 HydrophobicContact CG1-CG1 4.49Å; M417-V485 WeakPolarHBondContact O-CA 3.42Å; L422-V485 HydrophobicContact CD1-CG2 4.47Å; L422-V485 HydrophobicContact CD2-CG2 4.06Å; A454-V485 HydrophobicContact CB-CG1 4.22Å; L457-V485 HydrophobicContact CD2-CG1 3.94Å; L458-V485 HydrophobicContact CB-CG2 4.23Å; I483-V485 HydrophobicContact CG2-CG2 4.03Å; V485-I487 HydrophobicContact CG1-CG1 4.38Å
486	F	98.8	Very high	89.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.7	160.7	-81	-78.7	0	0	0	111.3	F50 L78 G83 Y84 A100 C102 V136 V416 M417 I488	F50-F486 HydrophobicContact CE1-CZ 4.15Å; F50-F486 HydrophobicContact CZ-CE1 4.38Å; F50-F486 AromaticContact CZ-CZ 3.9Å; F50-F486 HydrophobicContact CZ-CZ 3.9Å; L78-F486 HydrophobicContact CD1-CD1 4.45Å; L78-F486 HydrophobicContact CD1-CE1 3.74Å; G83-F486 WeakPolarHBondContact O-CA 3.35Å; G83-F486 WeakPolarHBondContact O-CD1 3.5Å; Y84-F486 AromaticContact CD2-CD1 3.78Å; Y84-F486 HydrophobicContact CD2-CD1 3.78Å; Y84-F486 AromaticContact CD2-CD2 3.98Å; Y84-F486 HydrophobicContact CD2-CD2 3.98Å; Y84-F486 AromaticContact CD2-CE1 3.47Å; Y84-F486 HydrophobicContact CD2-CE1 3.47Å; Y84-F486 VanDerWaalsContact CD2-CE1 3.47Å; Y84-F486 AromaticContact CD2-CE2 3.7Å; Y84-F486 HydrophobicContact CD2-CE2 3.7Å; Y84-F486 HydrophobicContact CD2-CG 4.03Å; Y84-F486 AromaticContact CD2-CZ 3.43Å; Y84-F486 HydrophobicContact CD2-CZ 3.43Å; Y84-F486 VanDerWaalsContact CD2-CZ 3.43Å; Y84-F486 HydrophobicContact CE2-CD2 4.22Å; Y84-F486 HydrophobicContact CE2-CE1 4.3Å; Y84-F486 AromaticContact CE2-CE2 3.75Å; Y84-F486 HydrophobicContact CE2-CE2 3.75Å; Y84-F486 AromaticContact CE2-CZ 3.79Å; Y84-F486 HydrophobicContact CE2-CZ 3.79Å; Y84-F486 HydrophobicContact CG-CE1 4.2Å; Y84-F486 HydrophobicContact CG-CZ 4.44Å; A100-F486 HydrophobicContact CB-CE2 3.77Å; A100-F486 HydrophobicContact CB-CZ 4.04Å; C102-F486 HydrophobicContact CB-CE1 4.23Å; C102-F486 HydrophobicContact CB-CZ 4.2Å; V136-F486 HydrophobicContact CG2-CD2 3.53Å; V136-F486 HydrophobicContact CG2-CE2 3.81Å; V416-F486 WeakPolarHBondContact CA-O 3.46Å; M417-F486 HydrophobicContact CB-CB 4.17Å; M417-F486 HydrophobicContact CG-CB 4.41Å; M417-F486 PolarHBondContact N-O 3.08Å; M417-F486 PolarHBondContact O-N 2.91Å; M417-F486 HydrophobicContact SD-CB 4.32Å; M417-F486 HydrophobicContact SD-CD2 4.48Å; F486-I488 HydrophobicContact CB-CG1 4.23Å
487	I	98.6	Very high	87.6	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	110.6	163.1	-62.3	-172.8	0	0	0	108	A82 G83 V414 V435 Y450 A453 A454 V485	A82-I487 WeakPolarHBondContact CA-O 3.24Å; G83-I487 PolarHBondContact N-O 2.61Å; G83-I487 PolarHBondContact O-N 3.47Å; V414-I487 HydrophobicContact CB-CG2 3.9Å; V414-I487 HydrophobicContact CG1-CG2 3.84Å; V414-I487 HydrophobicContact CG2-CG2 4.09Å; V435-I487 HydrophobicContact CG1-CD1 4.22Å; V435-I487 HydrophobicContact CG2-CD1 3.88Å; Y450-I487 HydrophobicContact CD1-CG2 3.87Å; Y450-I487 HydrophobicContact CG-CG2 4.43Å; A453-I487 VanDerWaalsContact C-CD1 3.45Å; A453-I487 HydrophobicContact CB-CD1 3.57Å; A454-I487 HydrophobicContact CB-CD1 4.12Å; A454-I487 HydrophobicContact CB-CG1 4.03Å; A454-I487 VanDerWaalsContact N-CD1 3.34Å; V485-I487 HydrophobicContact CG1-CG1 4.38Å
488	I	98.3	Very high	87.3	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.3	-174.5	-53.6	172.4	0	0	0	108.4	W80 A82 W134 V414 L415 M417 F486	W80-I488 HydrophobicContact CE3-CG2 3.92Å; A82-I488 HydrophobicContact CB-CG1 4.15Å; W134-I488 HydrophobicContact CB-CD1 3.76Å; W134-I488 HydrophobicContact CD2-CD1 3.59Å; W134-I488 HydrophobicContact CD2-CG1 4.41Å; W134-I488 HydrophobicContact CE3-CD1 4.15Å; W134-I488 HydrophobicContact CG-CD1 3.39Å; W134-I488 HydrophobicContact CG-CG1 4.23Å; W134-I488 HydrophobicContact CH2-CG2 4.33Å; W134-I488 HydrophobicContact CZ2-CG2 3.98Å; V414-I488 CarbonylContact C-O 3.58Å; V414-I488 WeakPolarHBondContact CA-O 3.28Å; V414-I488 WeakPolarHBondContact CB-O 3.32Å; L415-I488 HydrophobicContact CB-CB 4.42Å; L415-I488 HydrophobicContact CD2-CD1 4.3Å; L415-I488 PolarHBondContact N-O 2.75Å; L415-I488 PolarHBondContact O-N 3.3Å; M417-I488 HydrophobicContact CG-CD1 4.48Å; M417-I488 HydrophobicContact SD-CD1 3.65Å; F486-I488 HydrophobicContact CB-CG1 4.23Å
489	P	97	Very high	86.9	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	144	175.3	26.3	-31.5	0	0	0	112.3	W80 Y450	W80-P489 HydrophobicContact CB-CG 4.25Å; W80-P489 VanDerWaalsContact CE3-O 3.23Å; W80-P489 WeakPolarHBondContact O-CG 3.15Å; Y450-P489 HydrophobicContact CD2-CB 4.34Å; Y450-P489 HydrophobicContact CD2-CG 4Å; Y450-P489 HydrophobicContact CE1-CB 4Å; Y450-P489 HydrophobicContact CE2-CB 3.68Å; Y450-P489 HydrophobicContact CE2-CG 3.67Å; Y450-P489 VanDerWaalsContact CZ-CB 3.49Å
490	L	95.8	Very high	86.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-96.4	-21.2	176.2	-56.3	179.1	0	0	0	112.4	L264 I276 L404 H409 D413 L415 H493	L264-L490 HydrophobicContact CD1-CD2 3.74Å; I276-L490 HydrophobicContact CD1-CD1 4.42Å; I276-L490 HydrophobicContact CG1-CD1 4.23Å; I276-L490 HydrophobicContact CG2-CD1 3.69Å; L404-L490 HydrophobicContact CD2-CB 4.03Å; L404-L490 HydrophobicContact CD2-CD2 4.08Å; H409-L490 HydrophobicContact CB-CB 3.92Å; H409-L490 VanDerWaalsContact CD2-CB 3.5Å; H409-L490 WeakPolarHBondContact CD2-CB 3.38Å; D413-L490 HydrophobicContact CB-CD1 4.49Å; D413-L490 WeakPolarHBondContact O-CB 3.33Å; D413-L490 PolarHBondContact O-N 3Å; L415-L490 HydrophobicContact CB-CD2 4.03Å; L490-H493 PolarHBondContact O-ND1 3.16Å
491	A	90.8	Very high	85.9	Confident	28 Å²	28	31.9 Å²	31.9	23%	0.231	20%	0.195	C	C	.	.	S	Bend	trans	-84.6	153.7	173.6	0	0	0	0	0	112.4	H409 G410 H493	H409-A491 HydrophobicContact CB-CB 4.18Å; G410-A491 VanDerWaalsContact O-CB 3.31Å; G410-A491 WeakPolarHBondContact O-CB 3.31Å; A491-H493 VanDerWaalsContact C-N 3.26Å; A491-H493 PolarHBondContact O-N 3.29Å
492	G	77.1	Confident	85.2	Confident	50 Å²	50	32.3 Å²	32.3	52%	0.515	20%	0.198	S	C	.	.	S	Bend	trans	78	3	171.2	0	0	0	0	0	115.6	E494 S495	G492-E494 PolarHBondContact O-N 3.22Å; G492-S495 PolarHBondContact O-N 3.49Å; G492-S495 VanDerWaalsContact O-N 3.16Å; G492-S495 PolarHBondContact O-OG 2.92Å
493	H	72.3	Confident	84.3	Confident	15 Å²	15	34.3 Å²	34.3	7%	0.069	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-59.2	-30.2	179	69.7	-92.4	0	0	0	113	W80 Y259 L490 A491 S495 E496 T497	W80-H493 HydrophobicContact CD2-CB 3.89Å; W80-H493 HydrophobicContact CE3-CB 4.07Å; W80-H493 HydrophobicContact CH2-CB 3.54Å; W80-H493 HydrophobicContact CZ2-CB 3.36Å; W80-H493 HydrophobicContact CZ3-CB 3.9Å; Y259-H493 AromaticContact CZ-CD2 3.93Å; Y259-H493 PolarHBondContact OH-CD2 2.93Å; L490-H493 PolarHBondContact O-ND1 3.16Å; A491-H493 VanDerWaalsContact C-N 3.26Å; A491-H493 PolarHBondContact O-N 3.29Å; H493-S495 PolarHBondContact O-N 2.87Å; H493-E496 PolarHBondContact O-N 2.92Å; H493-T497 WeakPolarHBondContact O-CG2 3.45Å; H493-T497 PolarHBondContact O-N 3.01Å; H493-T497 PolarHBondContact O-OG1 3.25Å
494	E	66.9	Low	83.2	Confident	158 Å²	158	36.7 Å²	36.7	74%	0.738	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-55	-23	176.7	-60.2	174	-179.2	0	0	113.9	G492 T497	G492-E494 PolarHBondContact O-N 3.22Å; E494-T497 WeakPolarHBondContact CA-OG1 3.48Å
495	S	59.2	Low	82.1	Confident	105 Å²	105	39.5 Å²	39.5	73%	0.734	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-82.4	-12.5	177.9	66.8	0	0	0	0	114.1	G492 H493	G492-S495 PolarHBondContact O-N 3.49Å; G492-S495 VanDerWaalsContact O-N 3.16Å; G492-S495 PolarHBondContact O-OG 2.92Å; H493-S495 PolarHBondContact O-N 2.87Å
496	E	59.2	Low	80.7	Confident	67 Å²	67	42.8 Å²	42.8	31%	0.313	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-4.4	-177.8	-66.7	-166.4	-159	0	0	113.8	W80 K104 H493	W80-E496 WeakPolarHBondContact CA-OE1 3.35Å; W80-E496 WeakPolarHBondContact CA-OE2 3.48Å; W80-E496 PolarHBondContact N-OE1 2.91Å; W80-E496 PolarHBondContact N-OE2 2.66Å; K104-E496 PolarHBondContact NZ-O 3.12Å; H493-E496 PolarHBondContact O-N 2.92Å
497	T	53.9	Low	79	Confident	85 Å²	85	46.7 Å²	46.7	52%	0.521	29%	0.287	S	S	.	.			trans	-106.4	0	178.5	57	0	0	0	0	111.2	Y259 H493 E494	Y259-T497 HydrophobicContact CD1-CG2 4.19Å; Y259-T497 HydrophobicContact CE1-CG2 3.31Å; H493-T497 WeakPolarHBondContact O-CG2 3.45Å; H493-T497 PolarHBondContact O-N 3.01Å; H493-T497 PolarHBondContact O-OG1 3.25Å; E494-T497 WeakPolarHBondContact CA-OG1 3.48Å

Retrieved 497 of 497 residues in 1263.6 ms (Link to these results)

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