A0A096NRF7_PAPAN Loading...

Glutaminyl-peptide cyclotransferase

AlphaFold DB , UniProt , Accession A0A096NRF7, Species PAPAN (Papio anubis, Olive baboon), Gene QPCT, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	34.7	Very low	245 Å²	245	140.2 Å²	140.2	100%	1.207	86%	0.86	S	S	*	*				0	127.9	0	-72.8	-162.1	-129.5	0	0	107.6
2	A	34.9	Very low	34.7	Very low	113 Å²	113	140.3 Å²	140.3	93%	0.934	86%	0.861	S	S	*	*			trans	18.8	134.1	166.1	0	0	0	0	0	119.9
3	G	32.8	Very low	34.5	Very low	78 Å²	78	142.2 Å²	142.2	80%	0.804	86%	0.861	S	S	*	*			cis	163.5	151.2	5.9	0	0	0	0	0	110.5
4	G	32.6	Very low	34.4	Very low	88 Å²	88	144.6 Å²	144.6	91%	0.907	86%	0.858	S	S	*	*			trans	37.8	140.3	157.4	0	0	0	0	0	121.9
5	G	33.3	Very low	34.2	Very low	78 Å²	78	145.6 Å²	145.6	80%	0.804	86%	0.856	S	S	*	*			cis	-177.8	152.1	5.7	0	0	0	0	0	113.2
6	D	34.3	Very low	34.1	Very low	141 Å²	141	146 Å²	146	75%	0.754	85%	0.853	S	S	*	*			trans	39	108.7	151.2	-78.5	4.3	0	0	0	123
7	R	36.9	Very low	33.9	Very low	250 Å²	250	146.2 Å²	146.2	94%	0.943	85%	0.848	S	S	*	*			trans	-107.6	116.9	144.2	-83	-178.6	172.5	-178.4	-2.2	108.7
8	R	34.2	Very low	33.8	Very low	218 Å²	218	147.2 Å²	147.2	82%	0.823	85%	0.849	S	S	*	*			trans	-88.9	122.8	168.7	-74.8	-175.4	-176.5	-172.9	0.4	110.3
9	V	37.1	Very low	33.9	Very low	141 Å²	141	146.4 Å²	146.4	86%	0.855	85%	0.846	S	S	*	*			trans	-110.8	122.6	158.3	174.7	0	0	0	0	105.7
10	V	34.2	Very low	33.9	Very low	124 Å²	124	143 Å²	143	75%	0.752	84%	0.836	S	S	*	*			trans	-134.8	118.3	170	-179.3	0	0	0	0	107.3
11	G	33.6	Very low	33.9	Very low	66 Å²	66	142 Å²	142	68%	0.68	83%	0.834	S	S	*	*			trans	-72.1	143.5	172.7	0	0	0	0	0	111.2
12	T	34.8	Very low	33.8	Very low	142 Å²	142	137.7 Å²	137.7	87%	0.871	82%	0.815	S	S	*	*			trans	-107.4	131.2	-179.6	2.5	0	0	0	0	111.2
13	L	31.8	Very low	33.8	Very low	165 Å²	165	137.9 Å²	137.9	86%	0.864	81%	0.807	S	S	*	*			trans	-54.5	148.5	175.3	-99.3	72.1	0	0	0	113.6
14	H	33.5	Very low	33.8	Very low	176 Å²	176	146.3 Å²	146.3	82%	0.815	82%	0.815	S	S	*	*			trans	-61.5	133.7	165.8	-69.6	-8.7	0	0	0	112.6
15	L	31.3	Very low	34	Very low	159 Å²	159	146.6 Å²	146.6	83%	0.832	81%	0.808	S	S	*	*			trans	-133	109.1	157.3	-155.8	77.7	0	0	0	108	L17	L15-L17 PolarHBondContact O-N 3.48Å
16	L	33.1	Very low	34.3	Very low	152 Å²	152	147.8 Å²	147.8	80%	0.796	80%	0.804	S	S	*	*			trans	-68.6	122.7	172.1	-91.1	103.8	0	0	0	109.6
17	L	30.2	Very low	34.5	Very low	149 Å²	149	146.9 Å²	146.9	78%	0.78	81%	0.806	S	S	*	*			trans	-114.9	103.7	160.8	-96.6	151.3	0	0	0	107.7	L15 V19	L15-L17 PolarHBondContact O-N 3.48Å; L17-V19 PolarHBondContact O-N 3.22Å
18	L	32.1	Very low	34.5	Very low	164 Å²	164	138.5 Å²	138.5	86%	0.859	80%	0.797	S	S	*	*			trans	-64.9	107.6	167.2	-90.5	138.2	0	0	0	108.7
19	V	35.1	Very low	34.7	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	79%	0.791	S	S	*	*			trans	-94.3	107.6	164.5	-178.7	0	0	0	0	106.9	L17	L17-V19 PolarHBondContact O-N 3.22Å
20	A	34.3	Very low	34.7	Very low	78 Å²	78	129.9 Å²	129.9	65%	0.645	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.5	137	171.1	0	0	0	0	0	109.7	L22	A20-L22 PolarHBondContact O-N 3.26Å
21	P	33.7	Very low	35.3	Very low	123 Å²	123	130.2 Å²	130.2	80%	0.799	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-73.4	116.2	172.4	29.6	-29.2	0	0	0	108.5
22	L	35.8	Very low	35.8	Very low	154 Å²	154	132.1 Å²	132.1	81%	0.806	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-64.6	126.7	162	-86.4	134.6	0	0	0	107.8	A20 W24	A20-L22 PolarHBondContact O-N 3.26Å; L22-W24 PolarHBondContact O-N 2.9Å
23	P	34.6	Very low	36.5	Very low	117 Å²	117	129.2 Å²	129.2	76%	0.76	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-66.6	122.7	172.1	17.1	-13.3	0	0	0	107.9	A25	P23-A25 VanDerWaalsContact C-N 3.29Å; P23-A25 PolarHBondContact O-N 3.22Å
24	W	33.7	Very low	37.8	Very low	256 Å²	256	122.9 Å²	122.9	97%	0.97	74%	0.741	S	S	*	*			trans	-62.3	97.4	162.5	-79.5	-0.4	0	0	0	107.8	L22 S26	L22-W24 PolarHBondContact O-N 2.9Å; W24-S26 PolarHBondContact O-N 3.08Å; W24-S26 VanDerWaalsContact O-N 3.08Å
25	A	36.7	Very low	40.1	Very low	93 Å²	93	117.2 Å²	117.2	77%	0.769	73%	0.725	S	S	*	*			trans	-66.7	101.9	161.2	0	0	0	0	0	106.9	P23	P23-A25 VanDerWaalsContact C-N 3.29Å; P23-A25 PolarHBondContact O-N 3.22Å
26	S	40.1	Very low	43	Very low	103 Å²	103	111.4 Å²	111.4	72%	0.72	69%	0.692	S	S	*	*			trans	-51	132.8	158.7	-58.5	0	0	0	0	107.5	W24 G28	W24-S26 PolarHBondContact O-N 3.08Å; W24-S26 VanDerWaalsContact O-N 3.08Å; S26-G28 PolarHBondContact O-N 3.1Å
27	P	38.3	Very low	46	Very low	123 Å²	123	105.4 Å²	105.4	80%	0.799	66%	0.662	S	S	*	*			trans	-63.6	109.2	174.4	3.6	6.2	0	0	0	106.9	V29	P27-V29 PolarHBondContact O-N 2.89Å; P27-V29 VanDerWaalsContact O-N 3.1Å
28	G	36.8	Very low	49.2	Very low	73 Å²	73	102.9 Å²	102.9	75%	0.753	65%	0.646	S	S	*	*			trans	-57.9	115.5	167.6	0	0	0	0	0	107.4	S26 S30	S26-G28 PolarHBondContact O-N 3.1Å; G28-S30 PolarHBondContact O-N 2.9Å
29	V	37.9	Very low	52.2	Low	115 Å²	115	97.9 Å²	97.9	70%	0.697	62%	0.618	S	S	*	*			trans	-60.9	110.1	167.5	176.8	0	0	0	0	105.7	P27	P27-V29 PolarHBondContact O-N 2.89Å; P27-V29 VanDerWaalsContact O-N 3.1Å
30	S	38.3	Very low	55.1	Low	63 Å²	63	93 Å²	93	44%	0.441	59%	0.586	S	S	.	*			trans	-59.6	141.5	169.1	56.7	0	0	0	0	108.1	G28 S32	G28-S30 PolarHBondContact O-N 2.9Å; S30-S32 PolarHBondContact O-N 2.85Å; S30-S32 PolarHBondContact OG-OG 3.03Å
31	P	45.5	Very low	58.1	Low	132 Å²	132	94 Å²	94	86%	0.857	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-59.4	-5.7	176.7	-22.3	32	0	0	0	114.4	A33	P31-A33 VanDerWaalsContact C-N 3.3Å; P31-A33 PolarHBondContact O-N 3.34Å
32	S	44.3	Very low	61.1	Low	106 Å²	106	94.8 Å²	94.8	74%	0.741	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-80.8	3.8	-173.1	67.1	0	0	0	0	115.1	S30	S30-S32 PolarHBondContact O-N 2.85Å; S30-S32 PolarHBondContact OG-OG 3.03Å
33	A	48.9	Very low	64	Low	80 Å²	80	88.1 Å²	88.1	66%	0.661	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-132.4	6.1	-174.1	0	0	0	0	0	115.6	P31	P31-A33 VanDerWaalsContact C-N 3.3Å; P31-A33 PolarHBondContact O-N 3.34Å
34	A	58.8	Low	67	Low	32 Å²	32	88.3 Å²	88.3	26%	0.264	52%	0.524	S	S	.	.	S	Bend	trans	-74.5	136.7	173.5	0	0	0	0	0	110.2	E38 Y42	A34-E38 HydrophobicContact CB-CB 4.32Å; A34-Y42 HydrophobicContact CB-CE2 4.28Å
35	A	83.6	Confident	70.1	Confident	57 Å²	57	77.2 Å²	77.2	47%	0.471	49%	0.485	S	S	.	.			trans	-63.5	141.8	168.3	0	0	0	0	0	108.8	P37 E38	A35-P37 VanDerWaalsContact C-N 3.27Å; A35-P37 WeakPolarHBondContact O-CD 3.29Å; A35-E38 WeakPolarHBondContact O-CB 3.42Å; A35-E38 PolarHBondContact O-N 2.85Å
36	W	92.4	Very high	73	Confident	38 Å²	38	74.8 Å²	74.8	14%	0.144	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-50.3	-33.1	-171	79.1	-95.2	0	0	0	116	E38 E39 K132 R133 T235 H239	W36-E38 PolarHBondContact O-N 3.26Å; W36-E39 WeakPolarHBondContact CA-OE1 3.22Å; W36-E39 WeakPolarHBondContact CB-OE1 3.34Å; W36-E39 WeakPolarHBondContact O-CB 3.34Å; W36-E39 WeakPolarHBondContact O-CG 3.35Å; W36-E39 PolarHBondContact O-N 3.28Å; W36-K132 HydrophobicContact CB-CD 4.16Å; W36-K132 HydrophobicContact CD2-CB 4.09Å; W36-K132 HydrophobicContact CD2-CD 3.96Å; W36-K132 HydrophobicContact CD2-CG 4.47Å; W36-K132 HydrophobicContact CE3-CB 3.65Å; W36-K132 HydrophobicContact CE3-CD 4.3Å; W36-K132 HydrophobicContact CE3-CG 4.5Å; W36-K132 HydrophobicContact CG-CD 3.88Å; W36-K132 HydrophobicContact CH2-CB 4.33Å; W36-K132 WeakPolarHBondContact CH2-O 3.4Å; W36-K132 HydrophobicContact CZ3-CB 3.8Å; W36-K132 WeakPolarHBondContact CZ3-O 3.4Å; W36-R133 HydrophobicContact CE3-CG 3.92Å; W36-R133 HydrophobicContact CZ3-CG 3.88Å; W36-T235 HydrophobicContact CZ2-CG2 3.92Å; W36-H239 HydrophobicContact CH2-CB 4.16Å; W36-H239 HydrophobicContact CZ2-CB 4.49Å
37	P	95.8	Very high	75.8	Confident	25 Å²	25	74.8 Å²	74.8	16%	0.162	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-67.3	-20.1	176.8	-21.3	35.9	0	0	0	114.2	A35 K40 T235 H239	A35-P37 VanDerWaalsContact C-N 3.27Å; A35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-K40 WeakPolarHBondContact O-CE 3.37Å; P37-K40 WeakPolarHBondContact O-CG 3.47Å; P37-T235 HydrophobicContact CG-CG2 3.94Å; P37-H239 HydrophobicContact CB-CB 4.28Å; P37-H239 HydrophobicContact CG-CB 4.44Å
38	E	96.2	Very high	78.6	Confident	96 Å²	96	70 Å²	70	45%	0.449	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-86.6	-12	179.3	-63.2	177.6	-176.3	0	0	112.4	A34 A35 W36 K40 N41 Y42	A34-E38 HydrophobicContact CB-CB 4.32Å; A35-E38 WeakPolarHBondContact O-CB 3.42Å; A35-E38 PolarHBondContact O-N 2.85Å; W36-E38 PolarHBondContact O-N 3.26Å; E38-K40 PolarHBondContact O-N 3.33Å; E38-K40 VanDerWaalsContact O-N 3.13Å; E38-N41 VanDerWaalsContact O-CB 3.29Å; E38-N41 WeakPolarHBondContact O-CB 3.47Å; E38-N41 PolarHBondContact O-N 3.13Å; E38-Y42 WeakPolarHBondContact O-CD2 3.12Å
39	E	96.1	Very high	81.6	Confident	60 Å²	60	71.6 Å²	71.6	28%	0.28	42%	0.415	S	S	.	.	H	α-helix	trans	-56	-32.8	-180	-67.8	171.9	-163.3	0	0	112.3	W36 N41 Y42 H43 R133	W36-E39 WeakPolarHBondContact CA-OE1 3.22Å; W36-E39 WeakPolarHBondContact CB-OE1 3.34Å; W36-E39 WeakPolarHBondContact O-CB 3.34Å; W36-E39 WeakPolarHBondContact O-CG 3.35Å; W36-E39 PolarHBondContact O-N 3.28Å; E39-N41 PolarHBondContact O-N 2.95Å; E39-Y42 PolarHBondContact O-N 2.97Å; E39-H43 PolarHBondContact O-N 3.04Å; E39-R133 VanDerWaalsContact CB-NH1 3.27Å; E39-R133 WeakPolarHBondContact OE2-CD 3.24Å; E39-R133 IonicContact OE2-CZ 3.37Å; E39-R133 IonicContact OE2-NE 2.7Å; E39-R133 IonicContact OE2-NH1 3.85Å; E39-R133 PolarHBondContact OE2-NH1 3.21Å
40	K	96.2	Very high	84.4	Confident	28 Å²	28	69.2 Å²	69.2	12%	0.122	40%	0.403	C	S	.	.	H	α-helix	trans	-60.1	-25.6	175.9	67.6	-166.7	170.9	-161.1	0	114.5	P37 E38 Y42 H239 M241 D242 R266	P37-K40 WeakPolarHBondContact O-CE 3.37Å; P37-K40 WeakPolarHBondContact O-CG 3.47Å; E38-K40 PolarHBondContact O-N 3.33Å; E38-K40 VanDerWaalsContact O-N 3.13Å; K40-Y42 VanDerWaalsContact C-N 3.29Å; K40-H239 PolarHBondContact NZ-O 2.99Å; K40-M241 PolarHBondContact NZ-O 3.22Å; K40-M241 VanDerWaalsContact NZ-O 3.09Å; K40-D242 HydrophobicContact CB-CB 4.34Å; K40-D242 WeakPolarHBondContact CB-OD1 3.48Å; K40-R266 PolarHBondContact O-NH2 3.12Å
41	N	97	Very high	87.3	Confident	99 Å²	99	70.5 Å²	70.5	53%	0.529	41%	0.412	S	S	.	.	H	α-helix	trans	-72.7	-26.9	177.3	-60.1	-27.5	0	0	0	111.6	E38 E39	E38-N41 VanDerWaalsContact O-CB 3.29Å; E38-N41 WeakPolarHBondContact O-CB 3.47Å; E38-N41 PolarHBondContact O-N 3.13Å; E39-N41 PolarHBondContact O-N 2.95Å
42	Y	96	Very high	89.8	Confident	141 Å²	141	65.2 Å²	65.2	55%	0.553	38%	0.379	S	S	*	.	H	α-helix	trans	-103.5	-14.1	-177.9	-57.4	-77.8	0	0	0	113.2	A34 E38 E39 K40 Q44	A34-Y42 HydrophobicContact CB-CE2 4.28Å; E38-Y42 WeakPolarHBondContact O-CD2 3.12Å; E39-Y42 PolarHBondContact O-N 2.97Å; K40-Y42 VanDerWaalsContact C-N 3.29Å; Y42-Q44 PolarHBondContact O-N 3.48Å; Y42-Q44 PolarHBondContact O-NE2 3.4Å
43	H	96.8	Very high	92.4	Very high	14 Å²	14	60.2 Å²	60.2	7%	0.065	34%	0.344	C	S	.	.			trans	-54.5	125.9	-177.9	-170	64.8	0	0	0	112.5	E39 R266 W267 Y358 H360	E39-H43 PolarHBondContact O-N 3.04Å; H43-R266 VanDerWaalsContact O-CZ 3.31Å; H43-R266 PolarHBondContact O-NH1 3.07Å; H43-R266 PolarHBondContact O-NH2 3.33Å; H43-W267 HydrophobicContact CB-CZ2 4.41Å; H43-W267 AromaticContact CD2-CH2 3.63Å; H43-W267 AromaticContact CD2-CZ2 3.75Å; H43-W267 WeakPolarHBondContact O-CZ2 3.34Å; H43-Y358 AromaticContact CD2-CD1 3.92Å; H43-Y358 AromaticContact CD2-CE1 3.59Å; H43-Y358 AromaticContact CD2-CZ 3.68Å; H43-Y358 PolarHBondContact CE1-O 2.97Å; H43-Y358 AromaticContact NE2-CD1 3.65Å; H43-Y358 AromaticContact NE2-CE1 3.72Å; H43-Y358 PolarHBondContact NE2-O 3.39Å; H43-H360 AromaticContact CE1-CE1 3.87Å; H43-H360 AromaticContact CE1-NE2 3.55Å; H43-H360 AromaticContact NE2-NE2 3.98Å
44	Q	97.6	Very high	94.8	Very high	120 Å²	120	61.7 Å²	61.7	56%	0.561	33%	0.333	S	S	*	.			trans	-112.7	148.3	178.6	-63.2	-54.8	-47	0	0	110.7	Y42 H360	Y42-Q44 PolarHBondContact O-N 3.48Å; Y42-Q44 PolarHBondContact O-NE2 3.4Å; Q44-H360 PolarHBondContact O-NE2 3.44Å
45	P	98.1	Very high	96.7	Very high	24 Å²	24	66.1 Å²	66.1	16%	0.156	35%	0.348	C	S	.	.			trans	-68.9	148.5	172	28.9	-33	0	0	0	111.6	I47 W267 R270 E357	P45-I47 HydrophobicContact CG-CG1 4.31Å; P45-W267 HydrophobicContact CB-CZ3 4.17Å; P45-W267 HydrophobicContact CG-CZ3 4.23Å; P45-R270 HydrophobicContact CG-CG 4.23Å; P45-E357 CarbonylContact C-O 3.41Å; P45-E357 VanDerWaalsContact CA-O 3.29Å; P45-E357 WeakPolarHBondContact CA-O 3.37Å; P45-E357 HydrophobicContact CB-CB 3.93Å
46	A	98	Very high	97.3	Very high	41 Å²	41	63.9 Å²	63.9	34%	0.339	33%	0.328	S	S	.	.			trans	-93.5	93.1	162.5	0	0	0	0	0	108.6	L48 E357 H360	A46-L48 PolarHBondContact O-N 2.88Å; A46-E357 PolarHBondContact N-O 2.98Å; A46-H360 HydrophobicContact CB-CB 4.05Å
47	I	98.6	Very high	97.6	Very high	103 Å²	103	62.7 Å²	62.7	53%	0.528	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61.4	131.6	-171.4	-61.5	176.1	0	0	0	111.2	P45 E357	P45-I47 HydrophobicContact CG-CG1 4.31Å; I47-E357 WeakPolarHBondContact CA-OE1 3.28Å
48	L	98.4	Very high	97.6	Very high	24 Å²	24	69 Å²	69	13%	0.126	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-79.4	141.4	179.5	-63.2	-173.2	0	0	0	111	A46 A52 L53 I56 V353 L356 E357	A46-L48 PolarHBondContact O-N 2.88Å; L48-A52 HydrophobicContact CB-CB 4.03Å; L48-A52 HydrophobicContact CD1-CB 4.44Å; L48-A52 HydrophobicContact CD2-CB 4.32Å; L48-A52 HydrophobicContact CG-CB 4.5Å; L48-L53 HydrophobicContact CB-CD2 3.99Å; L48-L53 HydrophobicContact CB-CG 4.26Å; L48-L53 HydrophobicContact CD1-CD2 4.49Å; L48-I56 HydrophobicContact CD1-CG1 4.19Å; L48-V353 HydrophobicContact CD1-CG1 4.28Å; L48-L356 HydrophobicContact CD1-CB 4.14Å; L48-L356 HydrophobicContact CD1-CD1 4.2Å; L48-E357 HydrophobicContact CG-CG 4.01Å; L48-E357 PolarHBondContact N-OE1 3.35Å
49	N	98.5	Very high	97.6	Very high	106 Å²	106	66.2 Å²	66.2	57%	0.567	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-79.4	168	172.8	70.1	37.9	0	0	0	111.6	S51 A52 L53	N49-S51 PolarHBondContact O-N 2.99Å; N49-S51 VanDerWaalsContact O-N 3.13Å; N49-S51 WeakPolarHBondContact OD1-CB 3.49Å; N49-S51 PolarHBondContact OD1-N 2.63Å; N49-A52 WeakPolarHBondContact O-CB 3.41Å; N49-A52 PolarHBondContact O-N 3.05Å; N49-A52 PolarHBondContact OD1-N 3.04Å; N49-L53 WeakPolarHBondContact O-CG 3.18Å; N49-L53 PolarHBondContact O-N 2.76Å
50	S	98.4	Very high	97.7	Very high	64 Å²	64	63.9 Å²	63.9	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-31.1	-177.1	-44.8	0	0	0	0	114.5	R54	S50-R54 WeakPolarHBondContact O-CG 3.31Å; S50-R54 PolarHBondContact O-N 3.39Å; S50-R54 VanDerWaalsContact O-N 3.08Å
51	S	98.4	Very high	97.8	Very high	90 Å²	90	64.2 Å²	64.2	63%	0.629	35%	0.347	S	S	*	.	H	α-helix	trans	-70	-41.2	176.6	-174.1	0	0	0	0	111.3	N49 Q55	N49-S51 PolarHBondContact O-N 2.99Å; N49-S51 VanDerWaalsContact O-N 3.13Å; N49-S51 WeakPolarHBondContact OD1-CB 3.49Å; N49-S51 PolarHBondContact OD1-N 2.63Å; S51-Q55 PolarHBondContact O-N 2.78Å; S51-Q55 VanDerWaalsContact O-N 3.15Å
52	A	98.4	Very high	97.9	Very high	21 Å²	21	59.9 Å²	59.9	17%	0.174	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-43.7	174.7	0	0	0	0	0	110.6	L48 N49 R54 Q55 I56	L48-A52 HydrophobicContact CB-CB 4.03Å; L48-A52 HydrophobicContact CD1-CB 4.44Å; L48-A52 HydrophobicContact CD2-CB 4.32Å; L48-A52 HydrophobicContact CG-CB 4.5Å; N49-A52 WeakPolarHBondContact O-CB 3.41Å; N49-A52 PolarHBondContact O-N 3.05Å; N49-A52 PolarHBondContact OD1-N 3.04Å; A52-R54 VanDerWaalsContact C-N 3.34Å; A52-R54 PolarHBondContact O-N 3.35Å; A52-Q55 WeakPolarHBondContact O-CB 3.26Å; A52-Q55 PolarHBondContact O-N 3.06Å; A52-Q55 VanDerWaalsContact O-N 3.09Å; A52-I56 WeakPolarHBondContact O-CG1 3.1Å; A52-I56 PolarHBondContact O-N 2.95Å
53	L	98.6	Very high	98	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-56.5	-44.5	176.2	-67.6	176.6	0	0	0	112.4	L48 N49 Q55 I56 A57 E277 L278 L281 L283 V353	L48-L53 HydrophobicContact CB-CD2 3.99Å; L48-L53 HydrophobicContact CB-CG 4.26Å; L48-L53 HydrophobicContact CD1-CD2 4.49Å; N49-L53 WeakPolarHBondContact O-CG 3.18Å; N49-L53 PolarHBondContact O-N 2.76Å; L53-Q55 PolarHBondContact O-N 3Å; L53-I56 PolarHBondContact O-N 2.93Å; L53-A57 WeakPolarHBondContact O-CB 3.42Å; L53-A57 PolarHBondContact O-N 3.35Å; L53-E277 HydrophobicContact CD1-CB 4.26Å; L53-L278 HydrophobicContact CB-CD2 4.15Å; L53-L278 HydrophobicContact CD2-CD2 4.27Å; L53-L281 HydrophobicContact CB-CD1 4.07Å; L53-L281 HydrophobicContact CD1-CD1 3.74Å; L53-L283 HydrophobicContact CB-CD1 4.39Å; L53-V353 HydrophobicContact CD2-CB 4.29Å; L53-V353 HydrophobicContact CD2-CG1 3.55Å; L53-V353 HydrophobicContact CD2-CG2 3.66Å
54	R	98.6	Very high	98.1	Very high	111 Å²	111	59.5 Å²	59.5	42%	0.419	33%	0.334	S	S	.	.	H	α-helix	trans	-59.6	-45.8	173.9	-72.7	176.4	-171.8	-84.3	-6	111.9	S50 A52 I56 A57 E58 L283	S50-R54 WeakPolarHBondContact O-CG 3.31Å; S50-R54 PolarHBondContact O-N 3.39Å; S50-R54 VanDerWaalsContact O-N 3.08Å; A52-R54 VanDerWaalsContact C-N 3.34Å; A52-R54 PolarHBondContact O-N 3.35Å; R54-I56 VanDerWaalsContact C-N 3.31Å; R54-I56 PolarHBondContact O-N 2.96Å; R54-A57 PolarHBondContact O-N 3.19Å; R54-E58 WeakPolarHBondContact O-CB 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.4Å; R54-E58 PolarHBondContact O-N 3.28Å; R54-L283 HydrophobicContact CG-CD1 3.99Å; R54-L283 HydrophobicContact CG-CD2 4.13Å
55	Q	98.3	Very high	98.2	Very high	125 Å²	125	53.8 Å²	53.8	58%	0.584	31%	0.308	S	S	*	.	H	α-helix	trans	-60.1	-39.7	178.2	-173.8	-175.5	11.9	0	0	112.4	S51 A52 L53 G59	S51-Q55 PolarHBondContact O-N 2.78Å; S51-Q55 VanDerWaalsContact O-N 3.15Å; A52-Q55 WeakPolarHBondContact O-CB 3.26Å; A52-Q55 PolarHBondContact O-N 3.06Å; A52-Q55 VanDerWaalsContact O-N 3.09Å; L53-Q55 PolarHBondContact O-N 3Å; Q55-G59 PolarHBondContact O-N 3.16Å; Q55-G59 VanDerWaalsContact O-N 3.08Å
56	I	97.8	Very high	98.2	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-69	-45.5	177	-57.6	-45	0	0	0	110.6	L48 A52 L53 R54 E58 G59 T60 K177 Q352 V353 L356	L48-I56 HydrophobicContact CD1-CG1 4.19Å; A52-I56 WeakPolarHBondContact O-CG1 3.1Å; A52-I56 PolarHBondContact O-N 2.95Å; L53-I56 PolarHBondContact O-N 2.93Å; R54-I56 VanDerWaalsContact C-N 3.31Å; R54-I56 PolarHBondContact O-N 2.96Å; I56-E58 PolarHBondContact O-N 3.09Å; I56-G59 PolarHBondContact O-N 2.65Å; I56-T60 PolarHBondContact O-N 3.21Å; I56-K177 HydrophobicContact CD1-CD 4.42Å; I56-Q352 HydrophobicContact CG2-CB 3.82Å; I56-V353 HydrophobicContact CB-CG2 4.21Å; I56-V353 HydrophobicContact CG2-CG2 3.93Å; I56-L356 HydrophobicContact CD1-CD1 3.28Å; I56-L356 HydrophobicContact CG1-CD1 3.68Å
57	A	97.1	Very high	98.2	Very high	13 Å²	13	58.9 Å²	58.9	11%	0.107	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-34	178.5	0	0	0	0	0	113.2	L53 R54 L283 K349	L53-A57 WeakPolarHBondContact O-CB 3.42Å; L53-A57 PolarHBondContact O-N 3.35Å; R54-A57 PolarHBondContact O-N 3.19Å; A57-L283 HydrophobicContact CB-CB 4.01Å; A57-L283 HydrophobicContact CB-CD1 4.03Å; A57-L283 HydrophobicContact CB-CD2 4.12Å; A57-L283 HydrophobicContact CB-CG 4.27Å; A57-K349 HydrophobicContact CB-CD 4.09Å; A57-K349 HydrophobicContact CB-CG 4.42Å
58	E	96.8	Very high	98.2	Very high	157 Å²	157	55.6 Å²	55.6	73%	0.734	30%	0.299	S	S	*	.	H	α-helix	trans	-81.7	-20.1	175.8	-69.6	170.1	-170.9	0	0	113.5	R54 I56	R54-E58 WeakPolarHBondContact O-CB 3.32Å; R54-E58 WeakPolarHBondContact O-CG 3.4Å; R54-E58 PolarHBondContact O-N 3.28Å; I56-E58 PolarHBondContact O-N 3.09Å
59	G	96.3	Very high	98.3	Very high	38 Å²	38	54.6 Å²	54.6	39%	0.392	29%	0.293	S	S	.	.	H	α-helix	trans	-85.1	-19.5	-174.3	0	0	0	0	0	115.1	Q55 I56 R172	Q55-G59 PolarHBondContact O-N 3.16Å; Q55-G59 VanDerWaalsContact O-N 3.08Å; I56-G59 PolarHBondContact O-N 2.65Å; G59-R172 PolarHBondContact O-NH2 3.15Å; G59-R172 VanDerWaalsContact O-NH2 3.08Å
60	T	97.9	Very high	98.3	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.074	27%	0.266	C	S	.	.			trans	-87.8	146.9	173.6	-164.6	0	0	0	0	110.7	I56 E169 K349 Q352	I56-T60 PolarHBondContact O-N 3.21Å; T60-E169 WeakPolarHBondContact CA-OE1 3.46Å; T60-E169 PolarHBondContact OG1-OE1 3.46Å; T60-K349 HydrophobicContact CG2-CG 3.7Å; T60-Q352 PolarHBondContact OG1-NE2 3.23Å
61	S	98.6	Very high	98.3	Very high	34 Å²	34	50.4 Å²	50.4	24%	0.238	26%	0.263	C	S	.	.			trans	-135.4	102.8	179.1	178.1	0	0	0	0	110.9	S63 E64 M65 E169	S61-S63 VanDerWaalsContact C-N 3.27Å; S61-S63 PolarHBondContact O-N 2.75Å; S61-S63 PolarHBondContact OG-OG 2.78Å; S61-E64 PolarHBondContact O-N 2.86Å; S61-E64 WeakPolarHBondContact OG-CG 3.45Å; S61-E64 PolarHBondContact OG-N 2.74Å; S61-M65 PolarHBondContact O-N 2.98Å; S61-E169 PolarHBondContact N-OE1 3.21Å
62	I	98.8	Very high	98.3	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-37.8	179.4	-174.6	59.2	0	0	0	112.3	M65 W66 E341 I344 D345	I62-M65 HydrophobicContact CD1-CE 3.41Å; I62-M65 VanDerWaalsContact CD1-CE 3.41Å; I62-M65 HydrophobicContact CD1-SD 4.42Å; I62-M65 PolarHBondContact O-N 2.8Å; I62-W66 HydrophobicContact CD1-CE3 4.33Å; I62-W66 HydrophobicContact CG1-CE3 4.47Å; I62-W66 VanDerWaalsContact O-CB 3.26Å; I62-W66 WeakPolarHBondContact O-CB 3.37Å; I62-W66 PolarHBondContact O-N 3.27Å; I62-E341 HydrophobicContact CD1-CG 4.48Å; I62-E341 HydrophobicContact CG1-CG 3.48Å; I62-E341 VanDerWaalsContact CG1-CG 3.48Å; I62-E341 HydrophobicContact CG2-CG 4.21Å; I62-E341 WeakPolarHBondContact CG2-OE1 3.43Å; I62-I344 HydrophobicContact CD1-CB 4.05Å; I62-I344 HydrophobicContact CD1-CG2 3.77Å; I62-D345 HydrophobicContact CB-CB 3.89Å; I62-D345 HydrophobicContact CD1-CB 4.48Å; I62-D345 HydrophobicContact CG1-CB 4.08Å; I62-D345 HydrophobicContact CG2-CB 4.15Å
63	S	98.6	Very high	98.4	Very high	71 Å²	71	47.5 Å²	47.5	50%	0.497	24%	0.241	S	C	.	.	H	α-helix	trans	-72.7	-34.2	179.6	60.3	0	0	0	0	113.3	S61 R67	S61-S63 VanDerWaalsContact C-N 3.27Å; S61-S63 PolarHBondContact O-N 2.75Å; S61-S63 PolarHBondContact OG-OG 2.78Å; S63-R67 PolarHBondContact O-N 3Å; S63-R67 VanDerWaalsContact O-N 3.15Å
64	E	98.6	Very high	98.4	Very high	75 Å²	75	48.7 Å²	48.7	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-67.9	-44	171.9	-74.3	-78.6	137.1	0	0	110.6	S61 R67 N68	S61-E64 PolarHBondContact O-N 2.86Å; S61-E64 WeakPolarHBondContact OG-CG 3.45Å; S61-E64 PolarHBondContact OG-N 2.74Å; E64-R67 VanDerWaalsContact CD-NH2 3.35Å; E64-R67 IonicContact OE1-CZ 2.62Å; E64-R67 IonicContact OE1-NH2 3.32Å; E64-R67 PolarHBondContact OE1-NH2 3.13Å; E64-R67 IonicContact OE2-NH2 3.24Å; E64-R67 PolarHBondContact OE2-NH2 3.34Å; E64-N68 WeakPolarHBondContact O-CB 3.29Å; E64-N68 PolarHBondContact O-N 3.13Å; E64-N68 PolarHBondContact O-ND2 3.24Å; E64-N68 PolarHBondContact OE2-ND2 3.12Å
65	M	98.9	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-47	174.5	-178.9	-168.2	88.7	0	0	110.7	S61 I62 R67 N68 D69 L70 A165 M166 E169 I344 N348	S61-M65 PolarHBondContact O-N 2.98Å; I62-M65 HydrophobicContact CD1-CE 3.41Å; I62-M65 VanDerWaalsContact CD1-CE 3.41Å; I62-M65 HydrophobicContact CD1-SD 4.42Å; I62-M65 PolarHBondContact O-N 2.8Å; M65-R67 PolarHBondContact O-N 3.2Å; M65-N68 PolarHBondContact O-N 2.83Å; M65-D69 HydrophobicContact CG-CB 4.16Å; M65-D69 CarbonylContact O-C 3.57Å; M65-D69 WeakPolarHBondContact O-CA 3.4Å; M65-D69 WeakPolarHBondContact O-CB 3.38Å; M65-D69 PolarHBondContact O-N 2.85Å; M65-L70 PolarHBondContact O-N 3.28Å; M65-A165 HydrophobicContact CE-CB 4.32Å; M65-A165 HydrophobicContact CG-CB 3.95Å; M65-A165 HydrophobicContact SD-CB 4.17Å; M65-M166 HydrophobicContact SD-CG 4.36Å; M65-E169 HydrophobicContact CB-CB 3.89Å; M65-E169 HydrophobicContact CB-CG 4Å; M65-E169 HydrophobicContact CG-CB 3.64Å; M65-E169 HydrophobicContact CG-CG 4.24Å; M65-E169 HydrophobicContact SD-CB 3.71Å; M65-E169 HydrophobicContact SD-CG 4.15Å; M65-I344 HydrophobicContact CE-CG2 3.59Å; M65-N348 PolarHBondContact SD-ND2 3.28Å
66	W	98.8	Very high	98.4	Very high	37 Å²	37	42.4 Å²	42.4	14%	0.14	22%	0.224	C	C	.	.	I	π-helix	trans	-55.6	-53.1	-178.3	-158.5	-74.9	0	0	0	111.3	I62 L70 Q71 E336 L339 E341 I344	I62-W66 HydrophobicContact CD1-CE3 4.33Å; I62-W66 HydrophobicContact CG1-CE3 4.47Å; I62-W66 VanDerWaalsContact O-CB 3.26Å; I62-W66 WeakPolarHBondContact O-CB 3.37Å; I62-W66 PolarHBondContact O-N 3.27Å; W66-L70 HydrophobicContact CD2-CD2 3.93Å; W66-L70 HydrophobicContact CE3-CD2 4.06Å; W66-L70 HydrophobicContact CG-CD2 4.37Å; W66-L70 HydrophobicContact CZ2-CD2 4.45Å; W66-L70 HydrophobicContact CZ3-CD2 4.39Å; W66-Q71 WeakPolarHBondContact O-CB 3.44Å; W66-Q71 WeakPolarHBondContact O-CG 3.12Å; W66-Q71 PolarHBondContact O-N 3.03Å; W66-E336 HydrophobicContact CZ2-CG 3.74Å; W66-E336 PolarHBondContact NE1-OE1 2.92Å; W66-L339 HydrophobicContact CH2-CB 3.58Å; W66-L339 HydrophobicContact CH2-CD1 3.88Å; W66-L339 HydrophobicContact CH2-CG 4.4Å; W66-L339 HydrophobicContact CZ2-CB 4.28Å; W66-L339 HydrophobicContact CZ2-CD1 4.11Å; W66-L339 HydrophobicContact CZ3-CB 4.4Å; W66-E341 HydrophobicContact CE3-CG 4.27Å; W66-E341 HydrophobicContact CH2-CB 4.48Å; W66-E341 HydrophobicContact CZ3-CB 3.96Å; W66-E341 HydrophobicContact CZ3-CG 4.09Å; W66-I344 HydrophobicContact CZ3-CD1 4.03Å
67	R	98.8	Very high	98.4	Very high	136 Å²	136	41.9 Å²	41.9	51%	0.513	22%	0.221	S	C	.	.	I	π-helix	trans	-71.4	-43.8	-178.2	-175.2	-178.5	66	-149.5	-7.9	113.1	S63 E64 M65	S63-R67 PolarHBondContact O-N 3Å; S63-R67 VanDerWaalsContact O-N 3.15Å; E64-R67 VanDerWaalsContact CD-NH2 3.35Å; E64-R67 IonicContact OE1-CZ 2.62Å; E64-R67 IonicContact OE1-NH2 3.32Å; E64-R67 PolarHBondContact OE1-NH2 3.13Å; E64-R67 IonicContact OE2-NH2 3.24Å; E64-R67 PolarHBondContact OE2-NH2 3.34Å; M65-R67 PolarHBondContact O-N 3.2Å
68	N	98.8	Very high	98.5	Very high	34 Å²	34	43.5 Å²	43.5	18%	0.182	23%	0.225	C	C	.	.	I	π-helix	trans	-99.7	-19.1	-164.7	-52.7	-39.7	0	0	0	114	E64 M65 H90	E64-N68 WeakPolarHBondContact O-CB 3.29Å; E64-N68 PolarHBondContact O-N 3.13Å; E64-N68 PolarHBondContact O-ND2 3.24Å; E64-N68 PolarHBondContact OE2-ND2 3.12Å; M65-N68 PolarHBondContact O-N 2.83Å; N68-H90 PolarHBondContact O-CE1 2.97Å
69	D	98.9	Very high	98.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	19%	0.191	C	C	.	.	I	π-helix	trans	-122.3	-43.4	-173.1	-63.7	-64.8	0	0	0	111.3	M65 L73 H90 R94 A165 L168	M65-D69 HydrophobicContact CG-CB 4.16Å; M65-D69 CarbonylContact O-C 3.57Å; M65-D69 WeakPolarHBondContact O-CA 3.4Å; M65-D69 WeakPolarHBondContact O-CB 3.38Å; M65-D69 PolarHBondContact O-N 2.85Å; D69-L73 WeakPolarHBondContact O-CD1 3.32Å; D69-H90 PolarHBondContact O-NE2 3.24Å; D69-R94 WeakPolarHBondContact OD1-CG 3.41Å; D69-R94 IonicContact OD1-CZ 3.84Å; D69-R94 VanDerWaalsContact OD1-CZ 3.27Å; D69-R94 IonicContact OD1-NE 3.27Å; D69-R94 PolarHBondContact OD1-NE 3.35Å; D69-R94 IonicContact OD1-NH2 2.75Å; D69-R94 PolarHBondContact OD1-NH2 3.01Å; D69-R94 VanDerWaalsContact OD1-NH2 3.13Å; D69-R94 IonicContact OD2-CZ 3.28Å; D69-R94 IonicContact OD2-NH2 2.8Å; D69-R94 PolarHBondContact OD2-NH2 3.02Å; D69-R94 VanDerWaalsContact OD2-NH2 3.11Å; D69-A165 HydrophobicContact CB-CB 4.22Å; D69-L168 HydrophobicContact CB-CB 4.15Å; D69-L168 HydrophobicContact CB-CD1 4.15Å
70	L	98.9	Very high	98.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-82	-57.2	-178.2	177.8	59.9	0	0	0	114.1	M65 W66 P72 L73 L74 A161 V162 A165 L339	M65-L70 PolarHBondContact O-N 3.28Å; W66-L70 HydrophobicContact CD2-CD2 3.93Å; W66-L70 HydrophobicContact CE3-CD2 4.06Å; W66-L70 HydrophobicContact CG-CD2 4.37Å; W66-L70 HydrophobicContact CZ2-CD2 4.45Å; W66-L70 HydrophobicContact CZ3-CD2 4.39Å; L70-P72 VanDerWaalsContact C-CD 3.45Å; L70-P72 VanDerWaalsContact C-N 3.32Å; L70-L73 WeakPolarHBondContact O-CA 3.43Å; L70-L73 WeakPolarHBondContact O-CB 3.49Å; L70-L73 PolarHBondContact O-N 3.44Å; L70-L74 HydrophobicContact CD1-CD1 4.39Å; L70-L74 HydrophobicContact CD1-CD2 4.18Å; L70-L74 HydrophobicContact CD1-CG 4.14Å; L70-L74 HydrophobicContact CG-CD1 4.04Å; L70-L74 HydrophobicContact CG-CG 4.25Å; L70-L74 PolarHBondContact O-N 3.34Å; L70-A161 HydrophobicContact CD1-CB 3.89Å; L70-V162 HydrophobicContact CD1-CG2 3.83Å; L70-V162 HydrophobicContact CD2-CG2 4.04Å; L70-A165 HydrophobicContact CB-CB 3.73Å; L70-A165 HydrophobicContact CD1-CB 4.19Å; L70-L339 HydrophobicContact CD2-CD1 3.78Å
71	Q	98.9	Very high	98.7	Very high	82 Å²	82	37.2 Å²	37.2	38%	0.383	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-51.8	-40.8	-175.9	-80.5	177.2	-15.8	0	0	114.3	W66 L73 L74 E336	W66-Q71 WeakPolarHBondContact O-CB 3.44Å; W66-Q71 WeakPolarHBondContact O-CG 3.12Å; W66-Q71 PolarHBondContact O-N 3.03Å; Q71-L73 PolarHBondContact O-N 3Å; Q71-L74 PolarHBondContact O-N 3.42Å; Q71-E336 WeakPolarHBondContact CG-OE1 3.38Å; Q71-E336 PolarHBondContact NE2-OE1 2.76Å
72	P	98.9	Very high	98.8	Very high	51 Å²	51	41 Å²	41	33%	0.331	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-66.4	-18.3	176.1	-23.9	37.1	0	0	0	114.6	L70	L70-P72 VanDerWaalsContact C-CD 3.45Å; L70-P72 VanDerWaalsContact C-N 3.32Å
73	L	98.9	Very high	98.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-90.2	-17.2	176.1	-66.8	175.1	0	0	0	112.9	D69 L70 Q71 I75 R77 A87 I91 A161 C164	D69-L73 WeakPolarHBondContact O-CD1 3.32Å; L70-L73 WeakPolarHBondContact O-CA 3.43Å; L70-L73 WeakPolarHBondContact O-CB 3.49Å; L70-L73 PolarHBondContact O-N 3.44Å; Q71-L73 PolarHBondContact O-N 3Å; L73-I75 PolarHBondContact O-N 3.28Å; L73-R77 PolarHBondContact O-NH1 3.18Å; L73-A87 HydrophobicContact CD2-CB 3.67Å; L73-I91 HydrophobicContact CD2-CD1 4.34Å; L73-I91 HydrophobicContact CD2-CG1 4.25Å; L73-A161 HydrophobicContact CB-CB 4.21Å; L73-C164 HydrophobicContact CD1-CB 3.47Å; L73-C164 VanDerWaalsContact CD1-CB 3.47Å
74	L	98.8	Very high	98.8	Very high	26 Å²	26	37.8 Å²	37.8	14%	0.136	21%	0.206	C	C	.	.			trans	-75.5	58.3	179	-66.8	173.8	0	0	0	112.3	L70 Q71 V155 A157 A161 E336	L70-L74 HydrophobicContact CD1-CD1 4.39Å; L70-L74 HydrophobicContact CD1-CD2 4.18Å; L70-L74 HydrophobicContact CD1-CG 4.14Å; L70-L74 HydrophobicContact CG-CD1 4.04Å; L70-L74 HydrophobicContact CG-CG 4.25Å; L70-L74 PolarHBondContact O-N 3.34Å; Q71-L74 PolarHBondContact O-N 3.42Å; L74-V155 HydrophobicContact CD2-CG2 4.3Å; L74-A157 HydrophobicContact CD2-CB 3.66Å; L74-A161 HydrophobicContact CD2-CB 3.96Å; L74-E336 HydrophobicContact CD1-CB 3.71Å; L74-E336 HydrophobicContact CD1-CG 3.66Å; L74-E336 WeakPolarHBondContact CD1-OE2 3.13Å
75	I	98.8	Very high	98.8	Very high	60 Å²	60	40.8 Å²	40.8	31%	0.308	22%	0.215	S	C	.	.	S	Bend	trans	-135.1	161.1	179.5	61.6	173.5	0	0	0	109.4	L73 R77 A86	L73-I75 PolarHBondContact O-N 3.28Å; I75-R77 PolarHBondContact O-N 3.27Å; I75-R77 PolarHBondContact O-NH1 2.95Å; I75-A86 HydrophobicContact CD1-CB 3.94Å
76	E	98.7	Very high	98.8	Very high	43 Å²	43	42.8 Å²	42.8	20%	0.201	23%	0.232	C	C	.	.			trans	-65.6	116.3	171.7	-167.5	173.5	-158.9	0	0	111.1	Y78 S81 G83 H148 V153	E76-Y78 HydrophobicContact CG-CD1 3.63Å; E76-Y78 HydrophobicContact CG-CE1 3.78Å; E76-Y78 VanDerWaalsContact OE1-CE1 3.27Å; E76-Y78 WeakPolarHBondContact OE1-CE1 3.44Å; E76-S81 PolarHBondContact O-OG 3.18Å; E76-G83 VanDerWaalsContact O-CA 3.28Å; E76-G83 WeakPolarHBondContact O-CA 3.31Å; E76-H148 IonicContact OE1-CD2 3.47Å; E76-H148 IonicContact OE1-NE2 3.7Å; E76-H148 PolarHBondContact OE1-NE2 2.81Å; E76-H148 IonicContact OE2-CE1 2.67Å; E76-H148 IonicContact OE2-NE2 2.87Å; E76-H148 PolarHBondContact OE2-NE2 3.03Å; E76-V153 HydrophobicContact CB-CG1 3.53Å; E76-V153 HydrophobicContact CG-CG1 3.92Å
77	R	98.8	Very high	98.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.			trans	-136.7	30.6	-169.1	61.9	-173.8	-172.4	-79.8	-17.6	114	L73 I75 A87 Y141 S143 V155 G156 D159	L73-R77 PolarHBondContact O-NH1 3.18Å; I75-R77 PolarHBondContact O-N 3.27Å; I75-R77 PolarHBondContact O-NH1 2.95Å; R77-A87 HydrophobicContact CB-CB 4.27Å; R77-Y141 WeakPolarHBondContact CD-O 3.36Å; R77-Y141 WeakPolarHBondContact CG-O 3.36Å; R77-Y141 PolarHBondContact NE-O 3.42Å; R77-S143 PolarHBondContact N-OG 3.24Å; R77-V155 PolarHBondContact NH1-O 3.5Å; R77-V155 PolarHBondContact NH2-O 2.92Å; R77-G156 PolarHBondContact NH2-O 3.27Å; R77-D159 PolarHBondContact NH2-O 2.94Å
78	Y	98.8	Very high	98.8	Very high	47 Å²	47	36.1 Å²	36.1	18%	0.184	21%	0.206	C	C	.	.			trans	-57.3	154.9	172.9	66	-100.6	0	0	0	112.3	E76 G80 S81 S84 S143 Y145	E76-Y78 HydrophobicContact CG-CD1 3.63Å; E76-Y78 HydrophobicContact CG-CE1 3.78Å; E76-Y78 VanDerWaalsContact OE1-CE1 3.27Å; E76-Y78 WeakPolarHBondContact OE1-CE1 3.44Å; Y78-G80 PolarHBondContact O-N 3.39Å; Y78-S81 VanDerWaalsContact O-CB 3.27Å; Y78-S81 WeakPolarHBondContact O-CB 3.12Å; Y78-S81 PolarHBondContact O-N 3.27Å; Y78-S81 PolarHBondContact O-OG 3.4Å; Y78-S84 WeakPolarHBondContact O-CB 3.25Å; Y78-S143 WeakPolarHBondContact CA-O 3.33Å; Y78-S143 VanDerWaalsContact CB-O 3.24Å; Y78-S143 WeakPolarHBondContact CB-O 3.47Å; Y78-S143 PolarHBondContact N-OG 2.81Å; Y78-Y145 AromaticContact CD1-CD2 3.76Å; Y78-Y145 HydrophobicContact CD1-CD2 3.76Å; Y78-Y145 HydrophobicContact CD2-CD2 4.29Å; Y78-Y145 AromaticContact CE1-CD2 3.84Å; Y78-Y145 HydrophobicContact CE1-CD2 3.84Å; Y78-Y145 HydrophobicContact CE1-CE2 4.22Å; Y78-Y145 HydrophobicContact CE2-CD2 4.36Å; Y78-Y145 HydrophobicContact CG-CD2 4.01Å
79	P	98.8	Very high	98.8	Very high	4 Å²	4	37 Å²	37	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	128.3	-170.2	-20.1	29.5	0	0	0	112.8	F120 D142 D199 F204	P79-F120 HydrophobicContact CB-CD1 3.71Å; P79-F120 HydrophobicContact CB-CE1 3.69Å; P79-F120 HydrophobicContact CG-CD1 4.03Å; P79-F120 HydrophobicContact CG-CE1 3.81Å; P79-D142 HydrophobicContact CG-CB 4.09Å; P79-D199 WeakPolarHBondContact CG-OD1 3.28Å; P79-F204 HydrophobicContact CB-CZ 3.9Å; P79-F204 HydrophobicContact CG-CE2 4.27Å; P79-F204 HydrophobicContact CG-CZ 3.87Å
80	G	98	Very high	98.8	Very high	62 Å²	62	38.1 Å²	38.1	64%	0.639	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-2.1	-177.5	0	0	0	0	0	115.7	Y78	Y78-G80 PolarHBondContact O-N 3.39Å
81	S	98.6	Very high	98.8	Very high	8 Å²	8	38.1 Å²	38.1	6%	0.056	22%	0.215	C	C	.	.	S	Bend	trans	-73	161.6	173.6	87	0	0	0	0	112.1	E76 Y78 G83 S84 Y85	E76-S81 PolarHBondContact O-OG 3.18Å; Y78-S81 VanDerWaalsContact O-CB 3.27Å; Y78-S81 WeakPolarHBondContact O-CB 3.12Å; Y78-S81 PolarHBondContact O-N 3.27Å; Y78-S81 PolarHBondContact O-OG 3.4Å; S81-G83 PolarHBondContact O-N 3.29Å; S81-G83 PolarHBondContact OG-N 2.89Å; S81-G83 VanDerWaalsContact OG-N 3.14Å; S81-S84 PolarHBondContact O-N 3.46Å; S81-S84 PolarHBondContact OG-N 2.76Å; S81-Y85 PolarHBondContact O-N 3.37Å
82	P	98.8	Very high	98.8	Very high	113 Å²	113	35.3 Å²	35.3	73%	0.734	20%	0.202	S	C	*	.	H	α-helix	trans	-56.3	-34.7	168.4	-25.5	35.5	0	0	0	113.1	Y85 A86	P82-Y85 PolarHBondContact O-N 3.22Å; P82-A86 PolarHBondContact O-N 2.99Å
83	G	98.8	Very high	98.8	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-72.6	-30.8	177.4	0	0	0	0	0	113.6	E76 S81 Y85 A86 A87	E76-G83 VanDerWaalsContact O-CA 3.28Å; E76-G83 WeakPolarHBondContact O-CA 3.31Å; S81-G83 PolarHBondContact O-N 3.29Å; S81-G83 PolarHBondContact OG-N 2.89Å; S81-G83 VanDerWaalsContact OG-N 3.14Å; G83-Y85 VanDerWaalsContact C-N 3.31Å; G83-Y85 PolarHBondContact O-N 2.86Å; G83-A86 PolarHBondContact O-N 2.92Å; G83-A87 VanDerWaalsContact O-CB 3.27Å; G83-A87 WeakPolarHBondContact O-CB 3.31Å; G83-A87 PolarHBondContact O-N 3.09Å
84	S	98.9	Very high	98.8	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-42.7	169.4	164.4	0	0	0	0	110.9	Y78 S81 R88	Y78-S84 WeakPolarHBondContact O-CB 3.25Å; S81-S84 PolarHBondContact O-N 3.46Å; S81-S84 PolarHBondContact OG-N 2.76Å; S84-R88 WeakPolarHBondContact O-CB 3.43Å; S84-R88 PolarHBondContact O-N 3.21Å; S84-R88 PolarHBondContact O-NH1 3.39Å
85	Y	98.9	Very high	98.8	Very high	138 Å²	138	38.4 Å²	38.4	54%	0.541	21%	0.21	S	C	.	.	H	α-helix	trans	-63	-47.3	173.1	177.5	-93.1	0	0	0	111.9	S81 P82 G83 R88 Q89	S81-Y85 PolarHBondContact O-N 3.37Å; P82-Y85 PolarHBondContact O-N 3.22Å; G83-Y85 VanDerWaalsContact C-N 3.31Å; G83-Y85 PolarHBondContact O-N 2.86Å; Y85-R88 PolarHBondContact O-N 3.18Å; Y85-Q89 HydrophobicContact CD1-CG 4.03Å; Y85-Q89 HydrophobicContact CD2-CG 4.49Å; Y85-Q89 HydrophobicContact CE1-CG 3.56Å; Y85-Q89 HydrophobicContact CE2-CG 4.07Å; Y85-Q89 HydrophobicContact CG-CG 4.48Å; Y85-Q89 WeakPolarHBondContact O-CG 3.34Å; Y85-Q89 PolarHBondContact O-N 2.75Å
86	A	98.9	Very high	98.8	Very high	43 Å²	43	41.3 Å²	41.3	36%	0.355	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-45	-179.9	0	0	0	0	0	112.4	I75 P82 G83 R88 Q89 H90	I75-A86 HydrophobicContact CD1-CB 3.94Å; P82-A86 PolarHBondContact O-N 2.99Å; G83-A86 PolarHBondContact O-N 2.92Å; A86-R88 PolarHBondContact O-N 3.05Å; A86-Q89 PolarHBondContact O-N 3.49Å; A86-H90 WeakPolarHBondContact O-CB 3.41Å; A86-H90 PolarHBondContact O-N 3.33Å
87	A	98.9	Very high	98.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-45.5	175.9	0	0	0	0	0	111.5	L73 R77 G83 Q89 H90 I91 Y141	L73-A87 HydrophobicContact CD2-CB 3.67Å; R77-A87 HydrophobicContact CB-CB 4.27Å; G83-A87 VanDerWaalsContact O-CB 3.27Å; G83-A87 WeakPolarHBondContact O-CB 3.31Å; G83-A87 PolarHBondContact O-N 3.09Å; A87-Q89 PolarHBondContact O-N 2.81Å; A87-H90 WeakPolarHBondContact O-CB 3.48Å; A87-H90 PolarHBondContact O-N 3.01Å; A87-I91 WeakPolarHBondContact O-CG1 3.49Å; A87-I91 PolarHBondContact O-N 3Å; A87-Y141 HydrophobicContact CB-CD2 3.95Å; A87-Y141 HydrophobicContact CB-CE2 4.38Å
88	R	98.8	Very high	98.8	Very high	33 Å²	33	47.8 Å²	47.8	13%	0.125	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-45.2	175.9	176.4	164.4	68.4	-96.6	-2.1	112.5	S84 Y85 A86 H90 M92 I123 Y141	S84-R88 WeakPolarHBondContact O-CB 3.43Å; S84-R88 PolarHBondContact O-N 3.21Å; S84-R88 PolarHBondContact O-NH1 3.39Å; Y85-R88 PolarHBondContact O-N 3.18Å; A86-R88 PolarHBondContact O-N 3.05Å; R88-H90 VanDerWaalsContact C-N 3.33Å; R88-M92 HydrophobicContact CG-SD 3.92Å; R88-M92 WeakPolarHBondContact O-CB 3.4Å; R88-M92 WeakPolarHBondContact O-CG 3.44Å; R88-M92 PolarHBondContact O-N 2.92Å; R88-M92 VanDerWaalsContact O-N 3.08Å; R88-I123 HydrophobicContact CB-CD1 3.89Å; R88-I123 HydrophobicContact CG-CD1 3.63Å; R88-I123 HydrophobicContact CG-CG1 3.87Å; R88-Y141 HydrophobicContact CB-CE2 4.27Å; R88-Y141 PolarHBondContact NH1-OH 3.26Å
89	Q	98.9	Very high	98.7	Very high	52 Å²	52	51.4 Å²	51.4	24%	0.243	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-42.9	176.3	-70.5	-52	-57.4	0	0	111.8	Y85 A86 A87 M92 Q93	Y85-Q89 HydrophobicContact CD1-CG 4.03Å; Y85-Q89 HydrophobicContact CD2-CG 4.49Å; Y85-Q89 HydrophobicContact CE1-CG 3.56Å; Y85-Q89 HydrophobicContact CE2-CG 4.07Å; Y85-Q89 HydrophobicContact CG-CG 4.48Å; Y85-Q89 WeakPolarHBondContact O-CG 3.34Å; Y85-Q89 PolarHBondContact O-N 2.75Å; A86-Q89 PolarHBondContact O-N 3.49Å; A87-Q89 PolarHBondContact O-N 2.81Å; Q89-M92 PolarHBondContact O-N 2.91Å; Q89-Q93 WeakPolarHBondContact O-CB 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.35Å; Q89-Q93 PolarHBondContact O-N 2.88Å
90	H	98.9	Very high	98.7	Very high	26 Å²	26	51.5 Å²	51.5	12%	0.12	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-58.7	176.4	176.1	67.3	0	0	0	110.9	N68 D69 A86 A87 R88 M92 Q93 R94	N68-H90 PolarHBondContact O-CE1 2.97Å; D69-H90 PolarHBondContact O-NE2 3.24Å; A86-H90 WeakPolarHBondContact O-CB 3.41Å; A86-H90 PolarHBondContact O-N 3.33Å; A87-H90 WeakPolarHBondContact O-CB 3.48Å; A87-H90 PolarHBondContact O-N 3.01Å; R88-H90 VanDerWaalsContact C-N 3.33Å; H90-M92 VanDerWaalsContact C-N 3.28Å; H90-M92 PolarHBondContact O-N 3.35Å; H90-Q93 PolarHBondContact O-N 3.45Å; H90-R94 VanDerWaalsContact CE1-CG 3.47Å; H90-R94 WeakPolarHBondContact CE1-CG 3.45Å; H90-R94 VanDerWaalsContact O-CG 3.24Å; H90-R94 WeakPolarHBondContact O-CG 3.32Å; H90-R94 PolarHBondContact O-N 3.45Å
91	I	98.9	Very high	98.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-50.6	-49.2	179.2	-69.8	164	0	0	0	111.1	L73 A87 R94 I95 I123 Y141 L168 F197	L73-I91 HydrophobicContact CD2-CD1 4.34Å; L73-I91 HydrophobicContact CD2-CG1 4.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.49Å; A87-I91 PolarHBondContact O-N 3Å; I91-R94 PolarHBondContact O-N 2.93Å; I91-I95 HydrophobicContact CG2-CD1 4.08Å; I91-I95 WeakPolarHBondContact O-CG1 3.44Å; I91-I95 PolarHBondContact O-N 2.82Å; I91-I95 VanDerWaalsContact O-N 3.16Å; I91-I123 HydrophobicContact CB-CD1 4.01Å; I91-I123 HydrophobicContact CD1-CD1 3.9Å; I91-I123 HydrophobicContact CG2-CD1 3.9Å; I91-I123 HydrophobicContact CG2-CG2 4.32Å; I91-Y141 HydrophobicContact CD1-CD2 4.41Å; I91-Y141 HydrophobicContact CD1-CG 4.1Å; I91-L168 HydrophobicContact CG1-CD1 4.39Å; I91-L168 HydrophobicContact CG2-CD2 4.33Å; I91-F197 HydrophobicContact CD1-CB 4.43Å; I91-F197 HydrophobicContact CD1-CD1 3.99Å; I91-F197 HydrophobicContact CD1-CE1 4.49Å; I91-F197 HydrophobicContact CD1-CG 4.23Å; I91-F197 HydrophobicContact CG2-CD1 4.24Å; I91-F197 HydrophobicContact CG2-CD2 3.75Å; I91-F197 HydrophobicContact CG2-CE1 4.14Å; I91-F197 HydrophobicContact CG2-CE2 3.65Å; I91-F197 HydrophobicContact CG2-CG 4.05Å; I91-F197 HydrophobicContact CG2-CZ 3.85Å
92	M	98.9	Very high	98.6	Very high	23 Å²	23	53.1 Å²	53.1	11%	0.113	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-46.7	179.6	-69.7	174.9	68	0	0	112.4	R88 Q89 H90 R94 I95 Q96 L104 I106 I123	R88-M92 HydrophobicContact CG-SD 3.92Å; R88-M92 WeakPolarHBondContact O-CB 3.4Å; R88-M92 WeakPolarHBondContact O-CG 3.44Å; R88-M92 PolarHBondContact O-N 2.92Å; R88-M92 VanDerWaalsContact O-N 3.08Å; Q89-M92 PolarHBondContact O-N 2.91Å; H90-M92 VanDerWaalsContact C-N 3.28Å; H90-M92 PolarHBondContact O-N 3.35Å; M92-R94 VanDerWaalsContact C-N 3.34Å; M92-R94 PolarHBondContact O-N 3.33Å; M92-I95 PolarHBondContact O-N 2.93Å; M92-Q96 WeakPolarHBondContact O-CB 3.43Å; M92-Q96 WeakPolarHBondContact O-CG 3.31Å; M92-Q96 PolarHBondContact O-N 2.59Å; M92-L104 HydrophobicContact CB-CD1 4.08Å; M92-L104 HydrophobicContact CG-CD1 4.32Å; M92-L104 HydrophobicContact CG-CD2 4.45Å; M92-I106 HydrophobicContact CE-CD1 3.81Å; M92-I106 HydrophobicContact CE-CG1 4.13Å; M92-I106 HydrophobicContact SD-CD1 3.6Å; M92-I106 VanDerWaalsContact SD-CD1 3.6Å; M92-I106 HydrophobicContact SD-CG1 4.01Å; M92-I123 HydrophobicContact CG-CG2 4.13Å
93	Q	98.9	Very high	98.6	Very high	109 Å²	109	50.5 Å²	50.5	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-65.4	-37.6	-179.5	-73.1	171.1	23.2	0	0	112.1	Q89 H90 I95 Q96 R97	Q89-Q93 WeakPolarHBondContact O-CB 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.35Å; Q89-Q93 PolarHBondContact O-N 2.88Å; H90-Q93 PolarHBondContact O-N 3.45Å; Q93-I95 VanDerWaalsContact C-N 3.29Å; Q93-I95 PolarHBondContact O-N 2.88Å; Q93-Q96 PolarHBondContact O-N 3.16Å; Q93-R97 WeakPolarHBondContact O-CG 3.31Å; Q93-R97 PolarHBondContact O-N 3.47Å
94	R	98.9	Very high	98.6	Very high	32 Å²	32	52 Å²	52	12%	0.121	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-36.9	175.5	-66.7	-49.5	-59	-174.5	-10.8	112.4	D69 H90 I91 M92 R97 L168	D69-R94 WeakPolarHBondContact OD1-CG 3.41Å; D69-R94 IonicContact OD1-CZ 3.84Å; D69-R94 VanDerWaalsContact OD1-CZ 3.27Å; D69-R94 IonicContact OD1-NE 3.27Å; D69-R94 PolarHBondContact OD1-NE 3.35Å; D69-R94 IonicContact OD1-NH2 2.75Å; D69-R94 PolarHBondContact OD1-NH2 3.01Å; D69-R94 VanDerWaalsContact OD1-NH2 3.13Å; D69-R94 IonicContact OD2-CZ 3.28Å; D69-R94 IonicContact OD2-NH2 2.8Å; D69-R94 PolarHBondContact OD2-NH2 3.02Å; D69-R94 VanDerWaalsContact OD2-NH2 3.11Å; H90-R94 VanDerWaalsContact CE1-CG 3.47Å; H90-R94 WeakPolarHBondContact CE1-CG 3.45Å; H90-R94 VanDerWaalsContact O-CG 3.24Å; H90-R94 WeakPolarHBondContact O-CG 3.32Å; H90-R94 PolarHBondContact O-N 3.45Å; I91-R94 PolarHBondContact O-N 2.93Å; M92-R94 VanDerWaalsContact C-N 3.34Å; M92-R94 PolarHBondContact O-N 3.33Å; R94-R97 WeakPolarHBondContact O-CG 3.48Å; R94-L168 HydrophobicContact CB-CD1 4.12Å; R94-L168 HydrophobicContact CB-CD2 3.86Å; R94-L168 HydrophobicContact CB-CG 4.49Å; R94-L168 HydrophobicContact CG-CD1 4.14Å
95	I	98.9	Very high	98.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-76.2	-44	175.2	-67.5	169	0	0	0	111.3	I91 M92 Q93 R97 L98 W102 L104 S125 L168 F197	I91-I95 HydrophobicContact CG2-CD1 4.08Å; I91-I95 WeakPolarHBondContact O-CG1 3.44Å; I91-I95 PolarHBondContact O-N 2.82Å; I91-I95 VanDerWaalsContact O-N 3.16Å; M92-I95 PolarHBondContact O-N 2.93Å; Q93-I95 VanDerWaalsContact C-N 3.29Å; Q93-I95 PolarHBondContact O-N 2.88Å; I95-R97 PolarHBondContact O-N 2.91Å; I95-L98 VanDerWaalsContact O-CB 3.28Å; I95-L98 WeakPolarHBondContact O-CB 3.32Å; I95-L98 WeakPolarHBondContact O-CG 3.16Å; I95-L98 PolarHBondContact O-N 3Å; I95-W102 HydrophobicContact CG2-CB 3.57Å; I95-W102 HydrophobicContact CG2-CD2 4.24Å; I95-W102 HydrophobicContact CG2-CG 3.67Å; I95-L104 HydrophobicContact CB-CD1 4.48Å; I95-L104 HydrophobicContact CD1-CD2 4.14Å; I95-L104 HydrophobicContact CG2-CD1 4.29Å; I95-L104 HydrophobicContact CG2-CD2 4.19Å; I95-L104 HydrophobicContact CG2-CG 4.26Å; I95-S125 WeakPolarHBondContact CG2-OG 3.33Å; I95-L168 HydrophobicContact CD1-CD2 4.1Å; I95-L168 HydrophobicContact CG1-CD2 3.75Å; I95-F197 HydrophobicContact CD1-CE2 3.97Å; I95-F197 HydrophobicContact CD1-CZ 4.42Å
96	Q	98.6	Very high	98.6	Very high	120 Å²	120	53.6 Å²	53.6	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-62.4	-25.4	-176.4	-76.5	169.1	-19.6	0	0	114.5	M92 Q93 L98 L104	M92-Q96 WeakPolarHBondContact O-CB 3.43Å; M92-Q96 WeakPolarHBondContact O-CG 3.31Å; M92-Q96 PolarHBondContact O-N 2.59Å; Q93-Q96 PolarHBondContact O-N 3.16Å; Q96-L98 VanDerWaalsContact C-N 3.27Å; Q96-L98 PolarHBondContact O-N 3.28Å; Q96-L104 HydrophobicContact CG-CD1 3.45Å; Q96-L104 VanDerWaalsContact CG-CD1 3.45Å
97	R	98.5	Very high	98.6	Very high	156 Å²	156	52 Å²	52	59%	0.589	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.2	177.1	61.1	170.4	-77.5	176.8	-3	114	Q93 R94 I95	Q93-R97 WeakPolarHBondContact O-CG 3.31Å; Q93-R97 PolarHBondContact O-N 3.47Å; R94-R97 WeakPolarHBondContact O-CG 3.48Å; I95-R97 PolarHBondContact O-N 2.91Å
98	L	98.6	Very high	98.6	Very high	24 Å²	24	55.8 Å²	55.8	13%	0.126	27%	0.267	C	S	.	.	S	Bend	trans	-78.3	158.6	-179.4	-59.1	-178.1	0	0	0	110.9	I95 Q96 A171 R172 D175	I95-L98 VanDerWaalsContact O-CB 3.28Å; I95-L98 WeakPolarHBondContact O-CB 3.32Å; I95-L98 WeakPolarHBondContact O-CG 3.16Å; I95-L98 PolarHBondContact O-N 3Å; Q96-L98 VanDerWaalsContact C-N 3.27Å; Q96-L98 PolarHBondContact O-N 3.28Å; L98-A171 HydrophobicContact CD1-CB 3.58Å; L98-R172 HydrophobicContact CD2-CB 4.11Å; L98-R172 HydrophobicContact CD2-CG 4.21Å; L98-D175 HydrophobicContact CD2-CB 4.48Å
99	Q	98.1	Very high	98.6	Very high	122 Å²	122	55.3 Å²	55.3	57%	0.57	27%	0.265	S	S	*	.	S	Bend	trans	-82.3	-32.6	-179.7	-61.2	178.4	34.2	0	0	112.3	D175 L179	Q99-D175 WeakPolarHBondContact CB-OD2 3.39Å; Q99-D175 WeakPolarHBondContact CG-OD2 3.41Å; Q99-D175 VanDerWaalsContact N-CG 3.34Å; Q99-D175 PolarHBondContact N-OD1 3.13Å; Q99-D175 PolarHBondContact N-OD2 3.47Å; Q99-L179 HydrophobicContact CB-CD2 4.28Å; Q99-L179 WeakPolarHBondContact O-CD1 3.43Å
100	A	97.1	Very high	98.6	Very high	6 Å²	6	58.9 Å²	58.9	5%	0.05	29%	0.286	C	S	.	.	S	Bend	trans	-59	145.9	176.2	0	0	0	0	0	111	W102 L127 D175 L178	A100-W102 PolarHBondContact O-N 2.81Å; A100-L127 HydrophobicContact CB-CD2 3.97Å; A100-D175 WeakPolarHBondContact CB-OD1 3.23Å; A100-D175 PolarHBondContact N-OD1 3.28Å; A100-L178 HydrophobicContact CB-CB 4.02Å
101	D	96.9	Very high	98.6	Very high	74 Å²	74	58.8 Å²	58.8	40%	0.396	29%	0.288	S	S	.	.			trans	-79.8	53.6	-166.6	-151	49.4	0	0	0	112.9	V103 K182	D101-V103 PolarHBondContact O-N 3.28Å; D101-K182 HydrophobicContact CB-CD 4.02Å; D101-K182 HydrophobicContact CB-CG 4.28Å; D101-K182 VanDerWaalsContact CG-NZ 3.29Å; D101-K182 IonicContact OD1-NZ 3.53Å; D101-K182 PolarHBondContact OD1-NZ 3.25Å; D101-K182 WeakPolarHBondContact OD2-CE 3.23Å; D101-K182 IonicContact OD2-NZ 2.81Å; D101-K182 PolarHBondContact OD2-NZ 3.07Å
102	W	98.5	Very high	98.6	Very high	30 Å²	30	63.5 Å²	63.5	11%	0.114	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-66.5	125.4	-177.1	-70.1	103.6	0	0	0	111.5	I95 A100 S125 L127 A171 L178 L193 L195	I95-W102 HydrophobicContact CG2-CB 3.57Å; I95-W102 HydrophobicContact CG2-CD2 4.24Å; I95-W102 HydrophobicContact CG2-CG 3.67Å; A100-W102 PolarHBondContact O-N 2.81Å; W102-S125 WeakPolarHBondContact CZ3-O 3.36Å; W102-L127 HydrophobicContact CB-CD2 4.46Å; W102-L127 HydrophobicContact CD2-CD1 4.36Å; W102-L127 HydrophobicContact CD2-CD2 3.71Å; W102-L127 HydrophobicContact CD2-CG 3.73Å; W102-L127 HydrophobicContact CE3-CD1 4.47Å; W102-L127 HydrophobicContact CE3-CD2 4.06Å; W102-L127 HydrophobicContact CE3-CG 3.66Å; W102-L127 HydrophobicContact CG-CD2 3.87Å; W102-L127 HydrophobicContact CG-CG 4.43Å; W102-L127 HydrophobicContact CH2-CD1 3.98Å; W102-L127 HydrophobicContact CH2-CG 4Å; W102-L127 HydrophobicContact CZ2-CD1 3.83Å; W102-L127 HydrophobicContact CZ2-CG 4.06Å; W102-L127 HydrophobicContact CZ3-CD1 4.3Å; W102-L127 HydrophobicContact CZ3-CG 3.8Å; W102-A171 HydrophobicContact CZ2-CB 4.01Å; W102-L178 HydrophobicContact CZ2-CD1 3.94Å; W102-L193 HydrophobicContact CH2-CB 4.42Å; W102-L193 HydrophobicContact CH2-CD2 3.8Å; W102-L193 HydrophobicContact CH2-CG 4.01Å; W102-L193 HydrophobicContact CZ2-CD2 4.32Å; W102-L195 HydrophobicContact CH2-CD1 3.69Å; W102-L195 HydrophobicContact CH2-CD2 4.28Å; W102-L195 HydrophobicContact CH2-CG 3.63Å; W102-L195 HydrophobicContact CZ2-CD1 4.15Å; W102-L195 HydrophobicContact CZ3-CD1 4.09Å; W102-L195 HydrophobicContact CZ3-CG 3.83Å
103	V	98.6	Very high	98.5	Very high	59 Å²	59	62.7 Å²	62.7	36%	0.358	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.7	171.1	-179.4	0	0	0	0	108.7	D101 S125 T126 P129	D101-V103 PolarHBondContact O-N 3.28Å; V103-S125 WeakPolarHBondContact O-CA 3.48Å; V103-T126 PolarHBondContact N-O 3.17Å; V103-T126 PolarHBondContact O-N 3.22Å; V103-P129 HydrophobicContact CB-CG 3.75Å; V103-P129 HydrophobicContact CG1-CG 4.19Å; V103-P129 HydrophobicContact CG2-CG 3.62Å
104	L	98.8	Very high	98.5	Very high	40 Å²	40	60.7 Å²	60.7	21%	0.209	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.2	178.2	-77	166.5	0	0	0	111.4	M92 I95 Q96 I123 I124	M92-L104 HydrophobicContact CB-CD1 4.08Å; M92-L104 HydrophobicContact CG-CD1 4.32Å; M92-L104 HydrophobicContact CG-CD2 4.45Å; I95-L104 HydrophobicContact CB-CD1 4.48Å; I95-L104 HydrophobicContact CD1-CD2 4.14Å; I95-L104 HydrophobicContact CG2-CD1 4.29Å; I95-L104 HydrophobicContact CG2-CD2 4.19Å; I95-L104 HydrophobicContact CG2-CG 4.26Å; Q96-L104 HydrophobicContact CG-CD1 3.45Å; Q96-L104 VanDerWaalsContact CG-CD1 3.45Å; L104-I123 HydrophobicContact CD2-CG2 4.13Å; L104-I124 WeakPolarHBondContact CA-O 3.46Å
105	E	98.8	Very high	98.5	Very high	103 Å²	103	64.6 Å²	64.6	48%	0.481	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139	171.7	-60.1	-175	147.3	0	0	109.4	I124	E105-I124 HydrophobicContact CB-CB 4.44Å; E105-I124 PolarHBondContact N-O 3.01Å; E105-I124 PolarHBondContact O-N 2.9Å
106	I	98.9	Very high	98.4	Very high	73 Å²	73	65.8 Å²	65.8	37%	0.374	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121	170.4	-53	179.8	0	0	0	107.8	M92 T108 N122	M92-I106 HydrophobicContact CE-CD1 3.81Å; M92-I106 HydrophobicContact CE-CG1 4.13Å; M92-I106 HydrophobicContact SD-CD1 3.6Å; M92-I106 VanDerWaalsContact SD-CD1 3.6Å; M92-I106 HydrophobicContact SD-CG1 4.01Å; I106-T108 WeakPolarHBondContact CG2-OG1 3.24Å; I106-T108 PolarHBondContact O-N 3.48Å; I106-N122 WeakPolarHBondContact CA-O 3.36Å
107	D	98.9	Very high	98.4	Very high	8 Å²	8	68.5 Å²	68.5	4%	0.043	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	85	174.5	178.9	51.3	0	0	0	109.6	S121 N122 I124 H218 K222	D107-S121 WeakPolarHBondContact O-CA 3.36Å; D107-N122 HydrophobicContact CB-CB 4.16Å; D107-N122 PolarHBondContact N-O 3.45Å; D107-N122 PolarHBondContact O-N 2.72Å; D107-N122 VanDerWaalsContact O-N 3.1Å; D107-N122 PolarHBondContact OD2-ND2 3Å; D107-N122 VanDerWaalsContact OD2-ND2 3.15Å; D107-I124 HydrophobicContact CB-CD1 3.65Å; D107-H218 IonicContact OD1-CE1 2.65Å; D107-H218 PolarHBondContact OD1-CE1 2.9Å; D107-H218 VanDerWaalsContact OD1-CE1 3.28Å; D107-H218 IonicContact OD1-ND1 3.67Å; D107-H218 IonicContact OD2-CE1 3.33Å; D107-H218 PolarHBondContact OD2-CE1 2.86Å; D107-H218 VanDerWaalsContact OD2-CE1 3.27Å; D107-H218 IonicContact OD2-ND1 3.21Å; D107-H218 PolarHBondContact OD2-ND1 3.1Å; D107-K222 WeakPolarHBondContact OD1-CD 3.48Å; D107-K222 IonicContact OD1-NZ 3.85Å; D107-K222 PolarHBondContact OD1-NZ 2.87Å
108	T	98.9	Very high	98.4	Very high	81 Å²	81	64.8 Å²	64.8	50%	0.497	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.1	178.6	-58	0	0	0	0	111.5	I106 S119 F120 S121	I106-T108 WeakPolarHBondContact CG2-OG1 3.24Å; I106-T108 PolarHBondContact O-N 3.48Å; T108-S119 WeakPolarHBondContact CG2-OG 3.43Å; T108-F120 VanDerWaalsContact CA-O 3.23Å; T108-F120 WeakPolarHBondContact CA-O 3.49Å; T108-F120 WeakPolarHBondContact CG2-O 3.35Å; T108-S121 PolarHBondContact OG1-OG 3.36Å
109	F	98.9	Very high	98.4	Very high	22 Å²	22	66.2 Å²	66.2	10%	0.096	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.3	179.3	66.1	-82.6	0	0	0	111.9	S119 F120 Y214 H218	F109-S119 WeakPolarHBondContact O-CA 3.42Å; F109-F120 HydrophobicContact CD1-CB 4.21Å; F109-F120 HydrophobicContact CE1-CB 3.6Å; F109-F120 HydrophobicContact CE2-CB 3.95Å; F109-F120 AromaticContact CE2-CD2 3.98Å; F109-F120 HydrophobicContact CE2-CD2 3.98Å; F109-F120 HydrophobicContact CE2-CG 4.14Å; F109-F120 HydrophobicContact CZ-CB 3.43Å; F109-F120 VanDerWaalsContact CZ-CB 3.43Å; F109-F120 HydrophobicContact CZ-CD2 4.25Å; F109-F120 AromaticContact CZ-CG 3.94Å; F109-F120 HydrophobicContact CZ-CG 3.94Å; F109-F120 PolarHBondContact N-O 3.02Å; F109-F120 PolarHBondContact O-N 3.39Å; F109-Y214 WeakPolarHBondContact CZ-O 3.47Å; F109-H218 WeakPolarHBondContact CB-NE2 3.37Å; F109-H218 HydrophobicContact CD1-CB 4.04Å; F109-H218 AromaticContact CD1-CD2 3.99Å; F109-H218 AromaticContact CD1-CE1 3.72Å; F109-H218 AromaticContact CD1-CG 3.52Å; F109-H218 AromaticContact CD1-ND1 3.34Å; F109-H218 VanDerWaalsContact CD1-ND1 3.34Å; F109-H218 WeakPolarHBondContact CD1-ND1 3.39Å; F109-H218 HydrophobicContact CD2-CB 3.99Å; F109-H218 AromaticContact CD2-CD2 3.65Å; F109-H218 AromaticContact CD2-CG 3.73Å; F109-H218 HydrophobicContact CE1-CB 3.75Å; F109-H218 AromaticContact CE1-CG 3.76Å; F109-H218 AromaticContact CE1-ND1 3.79Å; F109-H218 HydrophobicContact CE2-CB 3.68Å; F109-H218 AromaticContact CE2-CG 3.95Å; F109-H218 HydrophobicContact CG-CB 4.17Å; F109-H218 AromaticContact CG-CD2 3.51Å; F109-H218 AromaticContact CG-CE1 3.76Å; F109-H218 AromaticContact CG-CG 3.52Å; F109-H218 AromaticContact CG-ND1 3.69Å; F109-H218 AromaticContact CG-NE2 3.69Å; F109-H218 HydrophobicContact CZ-CB 3.56Å; F109-H218 AromaticContact CZ-CG 3.98Å
110	L	98.8	Very high	98.5	Very high	127 Å²	127	60.4 Å²	60.4	67%	0.665	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	139	174	-70.8	172.3	0	0	0	110.4	R118	L110-R118 WeakPolarHBondContact CA-O 3.43Å
111	S	98.8	Very high	98.6	Very high	25 Å²	25	60.5 Å²	60.5	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.9	169.8	-176.3	0	0	0	0	111.2	Y117 R118	S111-Y117 WeakPolarHBondContact O-CA 3.28Å; S111-R118 PolarHBondContact N-O 3.38Å; S111-R118 PolarHBondContact O-N 2.87Å
112	Q	98.6	Very high	98.7	Very high	98 Å²	98	57 Å²	57	46%	0.458	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.9	166.7	-178.7	64.2	29.6	0	0	109.1	Y117 Y214	Q112-Y117 HydrophobicContact CB-CD1 4.27Å; Q112-Y117 HydrophobicContact CB-CE1 3.96Å; Q112-Y214 WeakPolarHBondContact O-CE1 3.46Å
113	T	98.6	Very high	98.7	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.043	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	173	174.8	74.8	0	0	0	0	109.3	Y115 G116 R118 F120 F204 Y214	T113-Y115 PolarHBondContact O-N 3.46Å; T113-Y115 VanDerWaalsContact O-N 3.1Å; T113-Y115 PolarHBondContact OG1-N 3.4Å; T113-G116 WeakPolarHBondContact CB-O 3.25Å; T113-G116 PolarHBondContact N-O 3.3Å; T113-G116 PolarHBondContact O-N 3.02Å; T113-G116 VanDerWaalsContact O-N 3.09Å; T113-G116 PolarHBondContact OG1-N 2.94Å; T113-G116 PolarHBondContact OG1-O 3.25Å; T113-R118 HydrophobicContact CG2-CB 3.94Å; T113-R118 HydrophobicContact CG2-CG 4.14Å; T113-F120 HydrophobicContact CG2-CE2 4.03Å; T113-F120 HydrophobicContact CG2-CZ 3.71Å; T113-F204 HydrophobicContact CG2-CD2 3.95Å; T113-F204 HydrophobicContact CG2-CE2 3.8Å; T113-Y214 HydrophobicContact CG2-CE1 3.86Å
114	P	98.4	Very high	98.7	Very high	66 Å²	66	53.1 Å²	53.1	43%	0.429	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.4	168.5	-26.7	35.5	0	0	0	114	F204 L205 D211 Y214	P114-F204 HydrophobicContact CG-CB 4.38Å; P114-L205 HydrophobicContact CB-CB 4.32Å; P114-L205 HydrophobicContact CG-CB 4.24Å; P114-D211 WeakPolarHBondContact CD-OD1 3.39Å; P114-D211 HydrophobicContact CG-CB 4Å; P114-D211 VanDerWaalsContact CG-CG 3.48Å; P114-D211 WeakPolarHBondContact CG-OD2 3.3Å; P114-Y214 WeakPolarHBondContact CD-OH 3.27Å
115	Y	97.7	Very high	98.7	Very high	115 Å²	115	51.2 Å²	51.2	45%	0.451	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	19.4	179.8	-58.5	-64.4	0	0	0	113.7	T113 Y145 F204	T113-Y115 PolarHBondContact O-N 3.46Å; T113-Y115 VanDerWaalsContact O-N 3.1Å; T113-Y115 PolarHBondContact OG1-N 3.4Å; Y115-Y145 HydrophobicContact CE2-CD1 4.42Å; Y115-F204 HydrophobicContact CD2-CB 3.91Å; Y115-F204 AromaticContact CD2-CD1 3.83Å; Y115-F204 HydrophobicContact CD2-CD1 3.83Å; Y115-F204 HydrophobicContact CD2-CG 4.07Å; Y115-F204 HydrophobicContact CE2-CB 3.81Å; Y115-F204 HydrophobicContact CE2-CD1 4.07Å; Y115-F204 HydrophobicContact CE2-CG 4.33Å
116	G	98.3	Very high	98.7	Very high	25 Å²	25	46.6 Å²	46.6	26%	0.258	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	94	-169.3	-177.3	0	0	0	0	0	113.2	T113 R118	T113-G116 WeakPolarHBondContact CB-O 3.25Å; T113-G116 PolarHBondContact N-O 3.3Å; T113-G116 PolarHBondContact O-N 3.02Å; T113-G116 VanDerWaalsContact O-N 3.09Å; T113-G116 PolarHBondContact OG1-N 2.94Å; T113-G116 PolarHBondContact OG1-O 3.25Å; G116-R118 PolarHBondContact O-N 3.19Å
117	Y	98.4	Very high	98.6	Very high	178 Å²	178	43.3 Å²	43.3	70%	0.698	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.4	177.2	-74.6	-72.9	0	0	0	111.3	S111 Q112	S111-Y117 WeakPolarHBondContact O-CA 3.28Å; Q112-Y117 HydrophobicContact CB-CD1 4.27Å; Q112-Y117 HydrophobicContact CB-CE1 3.96Å
118	R	98.4	Very high	98.5	Very high	77 Å²	77	44.5 Å²	44.5	29%	0.291	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.8	173.9	-69.2	-164.2	138.9	152.2	-2.4	111.4	L110 S111 T113 G116 F120	L110-R118 WeakPolarHBondContact CA-O 3.43Å; S111-R118 PolarHBondContact N-O 3.38Å; S111-R118 PolarHBondContact O-N 2.87Å; T113-R118 HydrophobicContact CG2-CB 3.94Å; T113-R118 HydrophobicContact CG2-CG 4.14Å; G116-R118 PolarHBondContact O-N 3.19Å; R118-F120 HydrophobicContact CB-CE2 3.98Å; R118-F120 HydrophobicContact CB-CZ 4.32Å; R118-F120 WeakPolarHBondContact O-CD2 3.21Å; R118-F120 WeakPolarHBondContact O-CE2 3.09Å
119	S	98.7	Very high	98.3	Very high	54 Å²	54	43.5 Å²	43.5	38%	0.378	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.9	173.6	-168.6	0	0	0	0	110	T108 F109	T108-S119 WeakPolarHBondContact CG2-OG 3.43Å; F109-S119 WeakPolarHBondContact O-CA 3.42Å
120	F	98.9	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159.4	175.3	-60.1	-97.8	0	0	0	108.4	P79 T108 F109 T113 R118 D199 F204 Y214	P79-F120 HydrophobicContact CB-CD1 3.71Å; P79-F120 HydrophobicContact CB-CE1 3.69Å; P79-F120 HydrophobicContact CG-CD1 4.03Å; P79-F120 HydrophobicContact CG-CE1 3.81Å; T108-F120 VanDerWaalsContact CA-O 3.23Å; T108-F120 WeakPolarHBondContact CA-O 3.49Å; T108-F120 WeakPolarHBondContact CG2-O 3.35Å; F109-F120 HydrophobicContact CD1-CB 4.21Å; F109-F120 HydrophobicContact CE1-CB 3.6Å; F109-F120 HydrophobicContact CE2-CB 3.95Å; F109-F120 AromaticContact CE2-CD2 3.98Å; F109-F120 HydrophobicContact CE2-CD2 3.98Å; F109-F120 HydrophobicContact CE2-CG 4.14Å; F109-F120 HydrophobicContact CZ-CB 3.43Å; F109-F120 VanDerWaalsContact CZ-CB 3.43Å; F109-F120 HydrophobicContact CZ-CD2 4.25Å; F109-F120 AromaticContact CZ-CG 3.94Å; F109-F120 HydrophobicContact CZ-CG 3.94Å; F109-F120 PolarHBondContact N-O 3.02Å; F109-F120 PolarHBondContact O-N 3.39Å; T113-F120 HydrophobicContact CG2-CE2 4.03Å; T113-F120 HydrophobicContact CG2-CZ 3.71Å; R118-F120 HydrophobicContact CB-CE2 3.98Å; R118-F120 HydrophobicContact CB-CZ 4.32Å; R118-F120 WeakPolarHBondContact O-CD2 3.21Å; R118-F120 WeakPolarHBondContact O-CE2 3.09Å; F120-D199 WeakPolarHBondContact CA-OD2 3.11Å; F120-D199 HydrophobicContact CB-CB 4.34Å; F120-F204 AromaticContact CE1-CE2 3.85Å; F120-F204 HydrophobicContact CE1-CE2 3.85Å; F120-F204 HydrophobicContact CE1-CZ 4.42Å; F120-F204 AromaticContact CZ-CE2 3.72Å; F120-F204 HydrophobicContact CZ-CE2 3.72Å; F120-F204 HydrophobicContact CZ-CZ 4.44Å; F120-Y214 HydrophobicContact CD1-CG 4.38Å; F120-Y214 HydrophobicContact CE1-CD1 4.17Å; F120-Y214 AromaticContact CE1-CD2 3.86Å; F120-Y214 HydrophobicContact CE1-CD2 3.86Å; F120-Y214 AromaticContact CE1-CG 3.62Å; F120-Y214 HydrophobicContact CE1-CG 3.62Å; F120-Y214 HydrophobicContact CE2-CD1 4.08Å; F120-Y214 HydrophobicContact CE2-CG 4.31Å; F120-Y214 AromaticContact CZ-CD1 3.61Å; F120-Y214 HydrophobicContact CZ-CD1 3.61Å; F120-Y214 HydrophobicContact CZ-CD2 4.01Å; F120-Y214 HydrophobicContact CZ-CE1 4.06Å; F120-Y214 HydrophobicContact CZ-CE2 4.43Å; F120-Y214 AromaticContact CZ-CG 3.57Å; F120-Y214 HydrophobicContact CZ-CG 3.57Å
121	S	98.9	Very high	97.9	Very high	8 Å²	8	41.8 Å²	41.8	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	94.9	-178.5	-69.3	0	0	0	0	111	D107 T108 Y141 D199	D107-S121 WeakPolarHBondContact O-CA 3.36Å; T108-S121 PolarHBondContact OG1-OG 3.36Å; S121-Y141 VanDerWaalsContact O-CE1 3.31Å; S121-Y141 WeakPolarHBondContact O-CE1 3.35Å; S121-Y141 PolarHBondContact O-OH 3.34Å; S121-D199 PolarHBondContact N-OD2 3.38Å
122	N	98.9	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	149.3	169.2	-53.1	-55.9	0	0	0	109.5	I106 D107 I124 F197 F198 D199 G215 L219	I106-N122 WeakPolarHBondContact CA-O 3.36Å; D107-N122 HydrophobicContact CB-CB 4.16Å; D107-N122 PolarHBondContact N-O 3.45Å; D107-N122 PolarHBondContact O-N 2.72Å; D107-N122 VanDerWaalsContact O-N 3.1Å; D107-N122 PolarHBondContact OD2-ND2 3Å; D107-N122 VanDerWaalsContact OD2-ND2 3.15Å; N122-I124 HydrophobicContact CB-CD1 4.13Å; N122-F197 WeakPolarHBondContact CA-O 3.31Å; N122-F198 WeakPolarHBondContact OD1-CA 3.34Å; N122-D199 PolarHBondContact OD1-N 3.17Å; N122-G215 PolarHBondContact ND2-O 3.42Å; N122-G215 VanDerWaalsContact ND2-O 3.1Å; N122-G215 WeakPolarHBondContact OD1-CA 3.29Å; N122-L219 HydrophobicContact CB-CD2 4.41Å
123	I	98.9	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.4	174.1	-48.6	166.4	0	0	0	107.6	R88 I91 M92 L104 Y141 I196 F197	R88-I123 HydrophobicContact CB-CD1 3.89Å; R88-I123 HydrophobicContact CG-CD1 3.63Å; R88-I123 HydrophobicContact CG-CG1 3.87Å; I91-I123 HydrophobicContact CB-CD1 4.01Å; I91-I123 HydrophobicContact CD1-CD1 3.9Å; I91-I123 HydrophobicContact CG2-CD1 3.9Å; I91-I123 HydrophobicContact CG2-CG2 4.32Å; M92-I123 HydrophobicContact CG-CG2 4.13Å; L104-I123 HydrophobicContact CD2-CG2 4.13Å; I123-Y141 HydrophobicContact CD1-CD1 4.31Å; I123-Y141 HydrophobicContact CD1-CE1 4.27Å; I123-Y141 HydrophobicContact CG1-CE1 4.34Å; I123-I196 WeakPolarHBondContact O-CA 3.41Å; I123-F197 HydrophobicContact CB-CB 4.12Å; I123-F197 HydrophobicContact CB-CD2 4.2Å; I123-F197 HydrophobicContact CD1-CB 4.33Å; I123-F197 HydrophobicContact CG2-CD2 4.38Å; I123-F197 PolarHBondContact N-O 2.84Å; I123-F197 PolarHBondContact O-N 2.83Å
124	I	98.9	Very high	97.7	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.9	176.8	-55.5	87.2	0	0	0	107.6	L104 E105 D107 N122 Q194 L219	L104-I124 WeakPolarHBondContact CA-O 3.46Å; E105-I124 HydrophobicContact CB-CB 4.44Å; E105-I124 PolarHBondContact N-O 3.01Å; E105-I124 PolarHBondContact O-N 2.9Å; D107-I124 HydrophobicContact CB-CD1 3.65Å; N122-I124 HydrophobicContact CB-CD1 4.13Å; I124-Q194 HydrophobicContact CG2-CG 4.04Å; I124-L219 HydrophobicContact CD1-CD1 4.34Å; I124-L219 HydrophobicContact CD1-CD2 4.21Å; I124-L219 HydrophobicContact CG1-CD2 3.99Å
125	S	98.9	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.4	174.6	-171.3	0	0	0	0	109.3	I95 W102 V103 Q194 L195	I95-S125 WeakPolarHBondContact CG2-OG 3.33Å; W102-S125 WeakPolarHBondContact CZ3-O 3.36Å; V103-S125 WeakPolarHBondContact O-CA 3.48Å; S125-Q194 CarbonylContact O-C 3.52Å; S125-Q194 WeakPolarHBondContact O-CA 3.43Å; S125-L195 PolarHBondContact N-O 2.83Å; S125-L195 PolarHBondContact O-N 2.97Å
126	T	98.8	Very high	97.8	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.043	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.1	-172.3	-43.6	0	0	0	0	112	V103 H134 Q194	V103-T126 PolarHBondContact N-O 3.17Å; V103-T126 PolarHBondContact O-N 3.22Å; T126-H134 WeakPolarHBondContact CG2-NE2 3.32Å; T126-Q194 HydrophobicContact CG2-CB 4.2Å; T126-Q194 HydrophobicContact CG2-CG 4.31Å; T126-Q194 PolarHBondContact OG1-NE2 3.45Å
127	L	97.8	Very high	97.8	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	-84.1	138.6	161.8	-66.8	174	0	0	0	109.2	A100 W102 H134 L178 L181 S192 L193	A100-L127 HydrophobicContact CB-CD2 3.97Å; W102-L127 HydrophobicContact CB-CD2 4.46Å; W102-L127 HydrophobicContact CD2-CD1 4.36Å; W102-L127 HydrophobicContact CD2-CD2 3.71Å; W102-L127 HydrophobicContact CD2-CG 3.73Å; W102-L127 HydrophobicContact CE3-CD1 4.47Å; W102-L127 HydrophobicContact CE3-CD2 4.06Å; W102-L127 HydrophobicContact CE3-CG 3.66Å; W102-L127 HydrophobicContact CG-CD2 3.87Å; W102-L127 HydrophobicContact CG-CG 4.43Å; W102-L127 HydrophobicContact CH2-CD1 3.98Å; W102-L127 HydrophobicContact CH2-CG 4Å; W102-L127 HydrophobicContact CZ2-CD1 3.83Å; W102-L127 HydrophobicContact CZ2-CG 4.06Å; W102-L127 HydrophobicContact CZ3-CD1 4.3Å; W102-L127 HydrophobicContact CZ3-CG 3.8Å; L127-H134 PolarHBondContact O-CD2 3.49Å; L127-H134 PolarHBondContact O-NE2 3.45Å; L127-L178 HydrophobicContact CD1-CB 3.85Å; L127-L178 HydrophobicContact CD1-CD1 4.33Å; L127-L178 HydrophobicContact CD1-CD2 4.08Å; L127-L178 HydrophobicContact CD1-CG 4.3Å; L127-L181 HydrophobicContact CD1-CD1 4.1Å; L127-S192 WeakPolarHBondContact CB-OG 3.42Å; L127-S192 WeakPolarHBondContact O-CB 3.01Å; L127-S192 PolarHBondContact O-OG 3.34Å; L127-L193 HydrophobicContact CD1-CB 4.37Å; L127-L193 PolarHBondContact N-O 2.86Å
128	N	95.2	Very high	97.9	Very high	33 Å²	33	21.2 Å²	21.2	18%	0.176	12%	0.118	C	C	.	.	S	Bend	trans	46.1	71.3	-178	-59.3	-22.7	0	0	0	113.3	T130 A131 H134 L181	N128-T130 PolarHBondContact O-N 3.11Å; N128-A131 HydrophobicContact CB-CB 3.89Å; N128-A131 VanDerWaalsContact O-CB 3.25Å; N128-A131 WeakPolarHBondContact O-CB 3.31Å; N128-A131 PolarHBondContact O-N 3.47Å; N128-H134 PolarHBondContact O-CE1 3.1Å; N128-H134 PolarHBondContact O-NE2 3.4Å; N128-H134 VanDerWaalsContact O-NE2 3.1Å; N128-L181 PolarHBondContact ND2-O 3.04Å; N128-L181 PolarHBondContact OD1-O 3.17Å
129	P	96.1	Very high	97.9	Very high	60 Å²	60	17.6 Å²	17.6	39%	0.39	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.7	-175.1	-26.1	34.9	0	0	0	115.6	V103 H228	V103-P129 HydrophobicContact CB-CG 3.75Å; V103-P129 HydrophobicContact CG1-CG 4.19Å; V103-P129 HydrophobicContact CG2-CG 3.62Å; P129-H228 PolarHBondContact O-CE1 2.88Å
130	T	93.8	Very high	97.9	Very high	101 Å²	101	15 Å²	15	62%	0.62	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.9	178.1	59.7	0	0	0	0	113.8	N128 K132 P230	N128-T130 PolarHBondContact O-N 3.11Å; T130-K132 PolarHBondContact O-N 2.93Å; T130-P230 HydrophobicContact CG2-CG 4.38Å
131	A	94.6	Very high	97.9	Very high	12 Å²	12	15 Å²	15	10%	0.099	9%	0.086	C	C	.	.			trans	-58.2	137.6	169.8	0	0	0	0	0	108.9	N128 R133 H134 H228	N128-A131 HydrophobicContact CB-CB 3.89Å; N128-A131 VanDerWaalsContact O-CB 3.25Å; N128-A131 WeakPolarHBondContact O-CB 3.31Å; N128-A131 PolarHBondContact O-N 3.47Å; A131-R133 VanDerWaalsContact C-N 3.28Å; A131-R133 PolarHBondContact O-N 3.46Å; A131-H134 PolarHBondContact O-CE1 2.93Å; A131-H228 PolarHBondContact O-CE1 3.01Å; A131-H228 VanDerWaalsContact O-CE1 3.27Å; A131-H228 PolarHBondContact O-NE2 3.38Å
132	K	95.5	Very high	97.9	Very high	64 Å²	64	14.6 Å²	14.6	28%	0.278	8%	0.083	S	C	.	.	S	Bend	trans	-67.2	-34.8	-173.5	-65.5	179.8	-174.8	165.9	0	111.6	W36 T130 H190 H228 P229 G240	W36-K132 HydrophobicContact CB-CD 4.16Å; W36-K132 HydrophobicContact CD2-CB 4.09Å; W36-K132 HydrophobicContact CD2-CD 3.96Å; W36-K132 HydrophobicContact CD2-CG 4.47Å; W36-K132 HydrophobicContact CE3-CB 3.65Å; W36-K132 HydrophobicContact CE3-CD 4.3Å; W36-K132 HydrophobicContact CE3-CG 4.5Å; W36-K132 HydrophobicContact CG-CD 3.88Å; W36-K132 HydrophobicContact CH2-CB 4.33Å; W36-K132 WeakPolarHBondContact CH2-O 3.4Å; W36-K132 HydrophobicContact CZ3-CB 3.8Å; W36-K132 WeakPolarHBondContact CZ3-O 3.4Å; T130-K132 PolarHBondContact O-N 2.93Å; K132-H190 HydrophobicContact CB-CB 4.38Å; K132-H190 PolarHBondContact N-O 3.18Å; K132-H228 PolarHBondContact O-CD2 2.87Å; K132-H228 VanDerWaalsContact O-CD2 3.29Å; K132-H228 PolarHBondContact O-NE2 2.7Å; K132-P229 HydrophobicContact CG-CG 4.18Å; K132-G240 WeakPolarHBondContact O-CA 3.4Å
133	R	97.8	Very high	97.9	Very high	8 Å²	8	14.6 Å²	14.6	3%	0.03	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143	-173.1	-67.5	164.9	56.9	-149.2	-6.2	110.9	W36 E39 A131 H190 L191 S192 G240 D242	W36-R133 HydrophobicContact CE3-CG 3.92Å; W36-R133 HydrophobicContact CZ3-CG 3.88Å; E39-R133 VanDerWaalsContact CB-NH1 3.27Å; E39-R133 WeakPolarHBondContact OE2-CD 3.24Å; E39-R133 IonicContact OE2-CZ 3.37Å; E39-R133 IonicContact OE2-NE 2.7Å; E39-R133 IonicContact OE2-NH1 3.85Å; E39-R133 PolarHBondContact OE2-NH1 3.21Å; A131-R133 VanDerWaalsContact C-N 3.28Å; A131-R133 PolarHBondContact O-N 3.46Å; R133-H190 PolarHBondContact N-O 2.92Å; R133-L191 HydrophobicContact CB-CB 4.38Å; R133-L191 HydrophobicContact CB-CD1 3.86Å; R133-L191 CarbonylContact O-C 3.5Å; R133-L191 VanDerWaalsContact O-CA 3.25Å; R133-L191 WeakPolarHBondContact O-CA 3.49Å; R133-S192 PolarHBondContact O-N 2.96Å; R133-G240 CarbonylContact C-O 3.59Å; R133-G240 VanDerWaalsContact CA-O 3.28Å; R133-G240 WeakPolarHBondContact CA-O 3.47Å; R133-D242 WeakPolarHBondContact CB-OD1 3.34Å; R133-D242 VanDerWaalsContact CG-OD1 3.26Å; R133-D242 WeakPolarHBondContact CG-OD1 3.5Å; R133-D242 IonicContact CZ-OD1 3.91Å; R133-D242 IonicContact CZ-OD2 3.82Å; R133-D242 VanDerWaalsContact NE-CG 3.35Å; R133-D242 IonicContact NE-OD1 3.07Å; R133-D242 PolarHBondContact NE-OD1 3.32Å; R133-D242 IonicContact NE-OD2 2.99Å; R133-D242 PolarHBondContact NE-OD2 3.39Å; R133-D242 IonicContact NH2-OD1 3.49Å; R133-D242 IonicContact NH2-OD2 3.7Å; R133-D242 PolarHBondContact NH2-OD2 3.2Å
134	H	98.7	Very high	97.9	Very high	10 Å²	10	15.7 Å²	15.7	5%	0.046	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.9	173.4	-66.7	83	0	0	0	110.3	T126 L127 N128 A131 V136 S192 Q194 G240 D242	T126-H134 WeakPolarHBondContact CG2-NE2 3.32Å; L127-H134 PolarHBondContact O-CD2 3.49Å; L127-H134 PolarHBondContact O-NE2 3.45Å; N128-H134 PolarHBondContact O-CE1 3.1Å; N128-H134 PolarHBondContact O-NE2 3.4Å; N128-H134 VanDerWaalsContact O-NE2 3.1Å; A131-H134 PolarHBondContact O-CE1 2.93Å; H134-V136 HydrophobicContact CB-CG2 4.27Å; H134-S192 VanDerWaalsContact CA-O 3.31Å; H134-S192 WeakPolarHBondContact CA-O 3.43Å; H134-Q194 HydrophobicContact CB-CB 4.1Å; H134-G240 PolarHBondContact N-O 3.44Å; H134-D242 WeakPolarHBondContact O-CB 3.27Å; H134-D242 PolarHBondContact O-N 3.47Å
135	L	98.9	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.4	154.3	176.1	63.4	0	0	0	106.7	S192 L193 Q194 L243 V245 F354 V355 Y358 L359	L135-S192 PolarHBondContact N-O 2.79Å; L135-L193 HydrophobicContact CB-CD1 4.28Å; L135-L193 HydrophobicContact CD2-CD1 4.25Å; L135-L193 HydrophobicContact CG-CD1 4.23Å; L135-L193 WeakPolarHBondContact O-CA 3.3Å; L135-Q194 PolarHBondContact O-N 3.11Å; L135-L243 HydrophobicContact CD1-CB 3.9Å; L135-L243 HydrophobicContact CD1-CD2 4.15Å; L135-L243 HydrophobicContact CD1-CG 4.38Å; L135-V245 HydrophobicContact CD1-CG2 3.97Å; L135-F354 HydrophobicContact CD1-CE1 4.49Å; L135-F354 HydrophobicContact CD2-CE1 4.45Å; L135-V355 HydrophobicContact CD2-CB 4.49Å; L135-V355 HydrophobicContact CD2-CG1 4.41Å; L135-V355 HydrophobicContact CD2-CG2 4.04Å; L135-Y358 HydrophobicContact CB-CD1 3.92Å; L135-Y358 HydrophobicContact CB-CE1 3.98Å; L135-Y358 HydrophobicContact CD1-CD1 4.26Å; L135-Y358 HydrophobicContact CD1-CD2 4.25Å; L135-Y358 HydrophobicContact CD1-CE1 4.21Å; L135-Y358 HydrophobicContact CD1-CE2 4.14Å; L135-Y358 HydrophobicContact CD1-CG 4.32Å; L135-Y358 HydrophobicContact CD2-CD1 3.9Å; L135-Y358 HydrophobicContact CD2-CD2 4.42Å; L135-Y358 HydrophobicContact CD2-CG 3.83Å; L135-Y358 HydrophobicContact CG-CD1 4.25Å; L135-Y358 HydrophobicContact CG-CE1 4.49Å; L135-Y358 HydrophobicContact CG-CG 4.5Å; L135-L359 HydrophobicContact CB-CD2 4.24Å
136	V	98.9	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.7	-177.8	-177.4	0	0	0	0	108.5	H134 Q194 I196 M241 L243 L244 V245	H134-V136 HydrophobicContact CB-CG2 4.27Å; V136-Q194 WeakPolarHBondContact CA-O 3.21Å; V136-Q194 HydrophobicContact CG2-CB 4.09Å; V136-I196 HydrophobicContact CG1-CD1 3.67Å; V136-I196 HydrophobicContact CG1-CG1 3.91Å; V136-M241 HydrophobicContact CB-CE 4.01Å; V136-M241 HydrophobicContact CG1-CE 4Å; V136-M241 HydrophobicContact CG2-CB 4.49Å; V136-M241 HydrophobicContact CG2-CE 3.74Å; V136-M241 HydrophobicContact CG2-CG 4.13Å; V136-L243 PolarHBondContact N-O 3.46Å; V136-L244 HydrophobicContact CB-CD1 4.1Å; V136-L244 HydrophobicContact CG1-CD1 3.68Å; V136-V245 PolarHBondContact O-N 3.28Å
137	L	99	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139	165	-50.6	-177.5	0	0	0	108.6	M167 L170 L193 Q194 L195 I196 V245 L351 V355	L137-M167 HydrophobicContact CB-CE 4.35Å; L137-M167 HydrophobicContact CB-CG 4.44Å; L137-M167 WeakPolarHBondContact O-CE 3.49Å; L137-L170 HydrophobicContact CD1-CD1 3.87Å; L137-L170 HydrophobicContact CD1-CD2 4.17Å; L137-L193 HydrophobicContact CG-CD1 4.2Å; L137-Q194 PolarHBondContact N-O 3.37Å; L137-L195 HydrophobicContact CB-CD2 3.82Å; L137-L195 HydrophobicContact CD1-CD2 3.95Å; L137-L195 HydrophobicContact CG-CD2 4.12Å; L137-L195 CarbonylContact O-C 3.21Å; L137-L195 VanDerWaalsContact O-CA 3.31Å; L137-L195 WeakPolarHBondContact O-CA 3.38Å; L137-I196 PolarHBondContact O-N 2.62Å; L137-V245 CarbonylContact C-O 3.59Å; L137-V245 WeakPolarHBondContact CA-O 3.45Å; L137-V245 HydrophobicContact CD2-CB 3.63Å; L137-V245 HydrophobicContact CD2-CG1 4.14Å; L137-V245 HydrophobicContact CD2-CG2 3.92Å; L137-L351 HydrophobicContact CD2-CD1 4.44Å; L137-V355 HydrophobicContact CD1-CG2 3.99Å; L137-V355 HydrophobicContact CD2-CG2 4.15Å
138	A	99	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.4	177.7	0	0	0	0	0	113.3	M167 I196 F198 L244 V245 L246 L247	A138-M167 VanDerWaalsContact C-SD 3.58Å; A138-I196 WeakPolarHBondContact CA-O 3.15Å; A138-I196 HydrophobicContact CB-CB 4.03Å; A138-I196 WeakPolarHBondContact CB-O 3.43Å; A138-F198 HydrophobicContact CB-CD2 4.21Å; A138-F198 HydrophobicContact CB-CE2 3.58Å; A138-F198 HydrophobicContact CB-CZ 4.41Å; A138-L244 HydrophobicContact CB-CD1 3.73Å; A138-V245 PolarHBondContact N-O 3Å; A138-L246 HydrophobicContact CB-CD1 4.11Å; A138-L246 WeakPolarHBondContact O-CA 3.38Å; A138-L247 PolarHBondContact O-N 2.75Å
139	C	99	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	174.3	163.7	61.1	0	0	0	0	107.8	P163 C164 M167 I196 F197 F198 L247	C139-P163 HydrophobicContact CB-CB 3.56Å; C139-C164 PolarHBondContact SG-SG 3.48Å; C139-M167 HydrophobicContact CB-SD 4.04Å; C139-M167 PolarHBondContact SG-SD 3.37Å; C139-I196 PolarHBondContact N-O 3.32Å; C139-F197 CarbonylContact O-C 3.52Å; C139-F197 WeakPolarHBondContact O-CA 3.32Å; C139-F198 PolarHBondContact O-N 3.14Å; C139-L247 VanDerWaalsContact CB-O 3.3Å; C139-L247 WeakPolarHBondContact CB-O 3.47Å
140	H	98.9	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145	166.9	72.2	102.7	0	0	0	110.5	D142 D159 S160 C164 F198 E201 D248	H140-D142 IonicContact CG-OD1 3.57Å; H140-D142 PolarHBondContact ND1-O 2.94Å; H140-D142 IonicContact ND1-OD1 2.68Å; H140-D142 PolarHBondContact ND1-OD1 3.46Å; H140-D159 IonicContact CE1-OD1 2.81Å; H140-D159 PolarHBondContact CE1-OD1 3.46Å; H140-D159 IonicContact NE2-OD1 3.47Å; H140-D159 PolarHBondContact NE2-OD1 3.08Å; H140-S160 VanDerWaalsContact CD2-CB 3.49Å; H140-S160 WeakPolarHBondContact CD2-CB 3.27Å; H140-S160 PolarHBondContact CD2-OG 2.9Å; H140-S160 WeakPolarHBondContact NE2-CB 3.38Å; H140-S160 PolarHBondContact NE2-OG 2.97Å; H140-S160 VanDerWaalsContact O-CB 3.25Å; H140-S160 WeakPolarHBondContact O-CB 3.41Å; H140-C164 PolarHBondContact O-SG 2.91Å; H140-F198 CarbonylContact C-O 3.59Å; H140-F198 WeakPolarHBondContact CA-O 3.44Å; H140-F198 HydrophobicContact CB-CB 4.24Å; H140-E201 HydrophobicContact CB-CB 3.39Å; H140-E201 HydrophobicContact CB-CG 3.99Å; H140-E201 VanDerWaalsContact CG-CB 3.48Å; H140-D248 IonicContact CD2-OD1 3.28Å; H140-D248 IonicContact NE2-OD1 2.75Å; H140-D248 PolarHBondContact NE2-OD1 2.68Å
141	Y	98.9	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.			trans	-105.9	-11.4	178.7	82.8	-88.1	0	0	0	113.4	R77 A87 R88 I91 S121 I123 F197 F198 D199	R77-Y141 WeakPolarHBondContact CD-O 3.36Å; R77-Y141 WeakPolarHBondContact CG-O 3.36Å; R77-Y141 PolarHBondContact NE-O 3.42Å; A87-Y141 HydrophobicContact CB-CD2 3.95Å; A87-Y141 HydrophobicContact CB-CE2 4.38Å; R88-Y141 HydrophobicContact CB-CE2 4.27Å; R88-Y141 PolarHBondContact NH1-OH 3.26Å; I91-Y141 HydrophobicContact CD1-CD2 4.41Å; I91-Y141 HydrophobicContact CD1-CG 4.1Å; S121-Y141 VanDerWaalsContact O-CE1 3.31Å; S121-Y141 WeakPolarHBondContact O-CE1 3.35Å; S121-Y141 PolarHBondContact O-OH 3.34Å; I123-Y141 HydrophobicContact CD1-CD1 4.31Å; I123-Y141 HydrophobicContact CD1-CE1 4.27Å; I123-Y141 HydrophobicContact CG1-CE1 4.34Å; Y141-F197 HydrophobicContact CD1-CB 4.04Å; Y141-F198 WeakPolarHBondContact CD1-O 3.29Å; Y141-F198 PolarHBondContact N-O 2.87Å; Y141-D199 HydrophobicContact CD1-CB 4.47Å; Y141-D199 HydrophobicContact CE1-CB 3.56Å; Y141-D199 VanDerWaalsContact OH-CG 3.3Å; Y141-D199 PolarHBondContact OH-OD2 3.22Å; Y141-D199 VanDerWaalsContact OH-OD2 3.07Å
142	D	98.9	Very high	94.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.221	C	C	.	.			trans	-69.3	164.7	172.1	66.2	-63	0	0	0	111	P79 H140 G200 E201 E202	P79-D142 HydrophobicContact CG-CB 4.09Å; H140-D142 IonicContact CG-OD1 3.57Å; H140-D142 PolarHBondContact ND1-O 2.94Å; H140-D142 IonicContact ND1-OD1 2.68Å; H140-D142 PolarHBondContact ND1-OD1 3.46Å; D142-G200 PolarHBondContact OD1-N 3.02Å; D142-G200 VanDerWaalsContact OD2-CA 3.28Å; D142-G200 WeakPolarHBondContact OD2-CA 3.32Å; D142-G200 PolarHBondContact OD2-N 3.4Å; D142-E201 PolarHBondContact OD1-N 3.44Å; D142-E201 PolarHBondContact OD2-N 2.94Å; D142-E202 PolarHBondContact OD2-N 2.92Å
143	S	98.9	Very high	94.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.			trans	-119.5	145.7	169.1	66.8	0	0	0	0	108.2	R77 Y78 Y145	R77-S143 PolarHBondContact N-OG 3.24Å; Y78-S143 WeakPolarHBondContact CA-O 3.33Å; Y78-S143 VanDerWaalsContact CB-O 3.24Å; Y78-S143 WeakPolarHBondContact CB-O 3.47Å; Y78-S143 PolarHBondContact N-OG 2.81Å; S143-Y145 PolarHBondContact O-N 2.97Å
144	K	98.6	Very high	94.9	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.096	22%	0.223	C	C	.	.			trans	-52.9	136.2	175.8	-164.8	164.8	-166.6	65.5	0	112.7	F146 F154 E202 A203	K144-F146 HydrophobicContact CB-CD2 4.19Å; K144-F146 HydrophobicContact CB-CE2 3.83Å; K144-F146 HydrophobicContact CD-CE2 3.61Å; K144-F146 HydrophobicContact CD-CZ 3.66Å; K144-F146 HydrophobicContact CG-CD2 4.17Å; K144-F146 HydrophobicContact CG-CE2 3.73Å; K144-F146 HydrophobicContact CG-CZ 4.19Å; K144-F146 PolarHBondContact O-N 3.02Å; K144-F154 HydrophobicContact CB-CD1 3.93Å; K144-F154 HydrophobicContact CB-CE1 3.63Å; K144-F154 HydrophobicContact CB-CZ 4.46Å; K144-F154 WeakPolarHBondContact O-CD1 3.49Å; K144-E202 HydrophobicContact CB-CB 4.35Å; K144-E202 HydrophobicContact CB-CG 3.93Å; K144-E202 WeakPolarHBondContact CB-OE1 3.14Å; K144-E202 HydrophobicContact CG-CB 4.39Å; K144-E202 HydrophobicContact CG-CG 4.33Å; K144-E202 IonicContact NZ-OE2 3.74Å; K144-E202 PolarHBondContact NZ-OE2 3.47Å; K144-A203 PolarHBondContact NZ-O 3.42Å
145	Y	97.9	Very high	94.9	Very high	81 Å²	81	46.8 Å²	46.8	32%	0.318	23%	0.227	S	C	.	.			trans	-75.3	122.1	173	175	-103.7	0	0	0	110.7	Y78 Y115 S143	Y78-Y145 AromaticContact CD1-CD2 3.76Å; Y78-Y145 HydrophobicContact CD1-CD2 3.76Å; Y78-Y145 HydrophobicContact CD2-CD2 4.29Å; Y78-Y145 AromaticContact CE1-CD2 3.84Å; Y78-Y145 HydrophobicContact CE1-CD2 3.84Å; Y78-Y145 HydrophobicContact CE1-CE2 4.22Å; Y78-Y145 HydrophobicContact CE2-CD2 4.36Å; Y78-Y145 HydrophobicContact CG-CD2 4.01Å; Y115-Y145 HydrophobicContact CE2-CD1 4.42Å; S143-Y145 PolarHBondContact O-N 2.97Å
146	F	94.8	Very high	94.8	Very high	64 Å²	64	46.8 Å²	46.8	28%	0.281	23%	0.227	S	C	.	.			trans	-127.4	146.3	166.8	-73.3	-79.8	0	0	0	109.9	K144 F154 H330 M332	K144-F146 HydrophobicContact CB-CD2 4.19Å; K144-F146 HydrophobicContact CB-CE2 3.83Å; K144-F146 HydrophobicContact CD-CE2 3.61Å; K144-F146 HydrophobicContact CD-CZ 3.66Å; K144-F146 HydrophobicContact CG-CD2 4.17Å; K144-F146 HydrophobicContact CG-CE2 3.73Å; K144-F146 HydrophobicContact CG-CZ 4.19Å; K144-F146 PolarHBondContact O-N 3.02Å; F146-F154 HydrophobicContact CB-CB 4.4Å; F146-F154 HydrophobicContact CD2-CB 3.58Å; F146-F154 AromaticContact CD2-CD1 3.89Å; F146-F154 HydrophobicContact CD2-CD1 3.89Å; F146-F154 HydrophobicContact CD2-CD2 4.1Å; F146-F154 AromaticContact CD2-CG 3.58Å; F146-F154 HydrophobicContact CD2-CG 3.58Å; F146-F154 HydrophobicContact CE2-CB 4.3Å; F146-F154 HydrophobicContact CE2-CD1 4.02Å; F146-F154 AromaticContact CE2-CD2 3.96Å; F146-F154 HydrophobicContact CE2-CD2 3.96Å; F146-F154 HydrophobicContact CE2-CE1 4.33Å; F146-F154 HydrophobicContact CE2-CE2 4.27Å; F146-F154 AromaticContact CE2-CG 3.82Å; F146-F154 HydrophobicContact CE2-CG 3.82Å; F146-F154 HydrophobicContact CE2-CZ 4.44Å; F146-F154 HydrophobicContact CG-CB 4.39Å; F146-H330 HydrophobicContact CZ-CB 4.19Å; F146-M332 HydrophobicContact CB-CE 4Å
147	S	89.3	Confident	94.8	Very high	86 Å²	86	46.8 Å²	46.8	60%	0.601	23%	0.227	S	C	*	.			trans	-63.5	137.2	164.2	55.1	0	0	0	0	109.5	W149	S147-W149 PolarHBondContact O-N 2.88Å
148	H	82.6	Confident	94.8	Very high	119 Å²	119	46.8 Å²	46.8	55%	0.551	23%	0.227	S	C	*	.			trans	-55.7	132.3	176.3	-62.8	175.9	0	0	0	110.5	E76	E76-H148 IonicContact OE1-CD2 3.47Å; E76-H148 IonicContact OE1-NE2 3.7Å; E76-H148 PolarHBondContact OE1-NE2 2.81Å; E76-H148 IonicContact OE2-CE1 2.67Å; E76-H148 IonicContact OE2-NE2 2.87Å; E76-H148 PolarHBondContact OE2-NE2 3.03Å
149	W	78.4	Confident	94.8	Very high	168 Å²	168	46.9 Å²	46.9	64%	0.636	23%	0.228	S	C	*	.	B	Isolated β-bridge	trans	-130.5	124.5	-179	-174	86.6	0	0	0	109.1	S147 N151 R152 M332	S147-W149 PolarHBondContact O-N 2.88Å; W149-N151 VanDerWaalsContact C-N 3.31Å; W149-N151 PolarHBondContact O-N 2.73Å; W149-R152 PolarHBondContact N-O 3.33Å; W149-R152 WeakPolarHBondContact O-CA 3.42Å; W149-R152 VanDerWaalsContact O-CB 3.3Å; W149-R152 WeakPolarHBondContact O-CB 3.36Å; W149-R152 PolarHBondContact O-N 3.09Å; W149-M332 HydrophobicContact CB-CE 4.31Å
150	D	84.4	Confident	94.8	Very high	118 Å²	118	46.9 Å²	46.9	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	42.9	178.6	-160.2	26.9	0	0	0	114.7	R152	D150-R152 PolarHBondContact O-N 2.76Å
151	N	88.6	Confident	94.8	Very high	164 Å²	164	46.9 Å²	46.9	88%	0.877	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	12.4	-173.6	-53.5	-53.5	0	0	0	115.1	W149	W149-N151 VanDerWaalsContact C-N 3.31Å; W149-N151 PolarHBondContact O-N 2.73Å
152	R	93.6	Very high	94.8	Very high	80 Å²	80	46.9 Å²	46.9	30%	0.302	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-93.7	151.3	172.9	-56.1	-178.4	65.7	178.4	3.5	110.7	W149 D150 M332 D333	W149-R152 PolarHBondContact N-O 3.33Å; W149-R152 WeakPolarHBondContact O-CA 3.42Å; W149-R152 VanDerWaalsContact O-CB 3.3Å; W149-R152 WeakPolarHBondContact O-CB 3.36Å; W149-R152 PolarHBondContact O-N 3.09Å; D150-R152 PolarHBondContact O-N 2.76Å; R152-M332 HydrophobicContact CB-CB 4.33Å; R152-M332 HydrophobicContact CB-CG 4.22Å; R152-M332 HydrophobicContact CB-SD 4.3Å; R152-M332 PolarHBondContact NH2-O 3.35Å; R152-D333 IonicContact CZ-OD1 3.65Å; R152-D333 VanDerWaalsContact CZ-OD1 3.24Å; R152-D333 IonicContact NH1-OD1 2.81Å; R152-D333 PolarHBondContact NH1-OD1 3.46Å; R152-D333 IonicContact NH2-OD1 3.17Å; R152-D333 PolarHBondContact NH2-OD1 3.28Å
153	V	96.4	Very high	94.8	Very high	52 Å²	52	46.9 Å²	46.9	32%	0.315	23%	0.228	S	C	.	.			trans	-130.5	134.4	-178.2	176.9	0	0	0	0	107.6	E76 V155	E76-V153 HydrophobicContact CB-CG1 3.53Å; E76-V153 HydrophobicContact CG-CG1 3.92Å; V153-V155 PolarHBondContact O-N 3.2Å
154	F	98.3	Very high	94.8	Very high	5 Å²	5	46.9 Å²	46.9	2%	0.022	23%	0.228	C	C	.	.			trans	-75.6	122.5	175.4	-178	-101.1	0	0	0	109	K144 F146 T331 M332 D334	K144-F154 HydrophobicContact CB-CD1 3.93Å; K144-F154 HydrophobicContact CB-CE1 3.63Å; K144-F154 HydrophobicContact CB-CZ 4.46Å; K144-F154 WeakPolarHBondContact O-CD1 3.49Å; F146-F154 HydrophobicContact CB-CB 4.4Å; F146-F154 HydrophobicContact CD2-CB 3.58Å; F146-F154 AromaticContact CD2-CD1 3.89Å; F146-F154 HydrophobicContact CD2-CD1 3.89Å; F146-F154 HydrophobicContact CD2-CD2 4.1Å; F146-F154 AromaticContact CD2-CG 3.58Å; F146-F154 HydrophobicContact CD2-CG 3.58Å; F146-F154 HydrophobicContact CE2-CB 4.3Å; F146-F154 HydrophobicContact CE2-CD1 4.02Å; F146-F154 AromaticContact CE2-CD2 3.96Å; F146-F154 HydrophobicContact CE2-CD2 3.96Å; F146-F154 HydrophobicContact CE2-CE1 4.33Å; F146-F154 HydrophobicContact CE2-CE2 4.27Å; F146-F154 AromaticContact CE2-CG 3.82Å; F146-F154 HydrophobicContact CE2-CG 3.82Å; F146-F154 HydrophobicContact CE2-CZ 4.44Å; F146-F154 HydrophobicContact CG-CB 4.39Å; F154-T331 VanDerWaalsContact CD2-O 3.24Å; F154-T331 WeakPolarHBondContact CD2-O 3.39Å; F154-T331 VanDerWaalsContact CE2-O 3.24Å; F154-T331 WeakPolarHBondContact CE2-O 3.5Å; F154-M332 HydrophobicContact CB-CE 4.43Å; F154-M332 HydrophobicContact CB-SD 3.84Å; F154-M332 PolarHBondContact N-SD 3.45Å; F154-M332 VanDerWaalsContact N-SD 3.37Å; F154-D334 HydrophobicContact CE2-CB 3.99Å
155	V	98.5	Very high	94.8	Very high	23 Å²	23	45.9 Å²	45.9	14%	0.139	22%	0.223	C	C	.	.			trans	-112.2	-6.7	179.8	-60.6	0	0	0	0	112.6	L74 R77 V153 A157 N335	L74-V155 HydrophobicContact CD2-CG2 4.3Å; R77-V155 PolarHBondContact NH1-O 3.5Å; R77-V155 PolarHBondContact NH2-O 2.92Å; V153-V155 PolarHBondContact O-N 3.2Å; V155-A157 PolarHBondContact O-N 3.07Å; V155-N335 HydrophobicContact CG2-CB 4.48Å
156	G	98.6	Very high	94.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.			trans	49	65.2	178	0	0	0	0	0	112.2	R77 D159 A161 D334	R77-G156 PolarHBondContact NH2-O 3.27Å; G156-D159 CarbonylContact C-O 3.58Å; G156-D159 VanDerWaalsContact CA-O 3.3Å; G156-D159 WeakPolarHBondContact CA-O 3.48Å; G156-D159 CarbonylContact O-C 3.24Å; G156-D159 VanDerWaalsContact O-C 3.24Å; G156-D159 PolarHBondContact O-N 3.3Å; G156-D159 VanDerWaalsContact O-O 3.12Å; G156-A161 WeakPolarHBondContact O-CB 3.4Å; G156-A161 PolarHBondContact O-N 2.92Å; G156-D334 WeakPolarHBondContact CA-OD2 3.39Å
157	A	98.9	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-66.5	-50.9	-175.3	0	0	0	0	0	111.1	L74 V155 A161 V162 D334 N335 L339	L74-A157 HydrophobicContact CD2-CB 3.66Å; V155-A157 PolarHBondContact O-N 3.07Å; A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 2.95Å; A157-V162 WeakPolarHBondContact O-CG2 3.47Å; A157-V162 PolarHBondContact O-N 3.43Å; A157-D334 PolarHBondContact N-O 3.49Å; A157-D334 PolarHBondContact N-OD1 3.35Å; A157-D334 PolarHBondContact N-OD2 3.49Å; A157-N335 VanDerWaalsContact CB-C 3.45Å; A157-N335 WeakPolarHBondContact CB-O 3.45Å; A157-L339 HydrophobicContact CB-CD1 4.23Å; A157-L339 HydrophobicContact CB-CD2 4Å; A157-L339 HydrophobicContact CB-CG 4.21Å
158	T	98.9	Very high	95.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.168	C	C	.	.	I	π-helix	trans	-74	-19.3	170.2	65.5	0	0	0	0	112.7	P163 L249 I250 A252 D334 L339	T158-P163 WeakPolarHBondContact O-CD 3.34Å; T158-L249 CarbonylContact O-C 3.57Å; T158-L249 VanDerWaalsContact O-CA 3.25Å; T158-L249 WeakPolarHBondContact O-CA 3.28Å; T158-L249 PolarHBondContact O-N 3.44Å; T158-I250 WeakPolarHBondContact CA-O 3.41Å; T158-I250 PolarHBondContact O-N 3.42Å; T158-A252 HydrophobicContact CG2-CB 4.42Å; T158-D334 WeakPolarHBondContact CG2-OD1 3.35Å; T158-D334 PolarHBondContact N-OD1 2.94Å; T158-D334 PolarHBondContact N-OD2 2.92Å; T158-D334 VanDerWaalsContact OG1-CG 3.31Å; T158-D334 PolarHBondContact OG1-OD1 3.31Å; T158-D334 PolarHBondContact OG1-OD2 3.06Å; T158-D334 VanDerWaalsContact OG1-OD2 3.1Å; T158-L339 HydrophobicContact CG2-CD2 3.64Å
159	D	98.8	Very high	96.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.011	14%	0.141	C	C	.	.	I	π-helix	trans	-127	73.8	-161.4	-171.6	-2.4	0	0	0	113.2	R77 H140 G156 L249 H330 D334	R77-D159 PolarHBondContact NH2-O 2.94Å; H140-D159 IonicContact CE1-OD1 2.81Å; H140-D159 PolarHBondContact CE1-OD1 3.46Å; H140-D159 IonicContact NE2-OD1 3.47Å; H140-D159 PolarHBondContact NE2-OD1 3.08Å; G156-D159 CarbonylContact C-O 3.58Å; G156-D159 VanDerWaalsContact CA-O 3.3Å; G156-D159 WeakPolarHBondContact CA-O 3.48Å; G156-D159 CarbonylContact O-C 3.24Å; G156-D159 VanDerWaalsContact O-C 3.24Å; G156-D159 PolarHBondContact O-N 3.3Å; G156-D159 VanDerWaalsContact O-O 3.12Å; D159-L249 HydrophobicContact CB-CD2 3.53Å; D159-H330 IonicContact OD2-CD2 2.7Å; D159-H330 PolarHBondContact OD2-CD2 3.01Å; D159-H330 IonicContact OD2-NE2 3.17Å; D159-D334 VanDerWaalsContact CB-OD2 3.28Å; D159-D334 WeakPolarHBondContact CB-OD2 3.34Å
160	S	98.9	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	I	π-helix	cis	-126.6	46.9	-6.5	-91.9	0	0	0	0	111.2	H140 V162 P163 C164 D248	H140-S160 VanDerWaalsContact CD2-CB 3.49Å; H140-S160 WeakPolarHBondContact CD2-CB 3.27Å; H140-S160 PolarHBondContact CD2-OG 2.9Å; H140-S160 WeakPolarHBondContact NE2-CB 3.38Å; H140-S160 PolarHBondContact NE2-OG 2.97Å; H140-S160 VanDerWaalsContact O-CB 3.25Å; H140-S160 WeakPolarHBondContact O-CB 3.41Å; S160-V162 PolarHBondContact O-N 2.86Å; S160-P163 WeakPolarHBondContact O-CD 3.46Å; S160-C164 PolarHBondContact O-N 3.09Å; S160-C164 PolarHBondContact O-SG 3.06Å; S160-D248 PolarHBondContact OG-OD1 3.35Å
161	A	98.9	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-63.2	-41.6	179.6	0	0	0	0	0	112.7	L70 L73 L74 G156 A157 C164 A165	L70-A161 HydrophobicContact CD1-CB 3.89Å; L73-A161 HydrophobicContact CB-CB 4.21Å; L74-A161 HydrophobicContact CD2-CB 3.96Å; G156-A161 WeakPolarHBondContact O-CB 3.4Å; G156-A161 PolarHBondContact O-N 2.92Å; A157-A161 WeakPolarHBondContact O-CB 3.45Å; A157-A161 PolarHBondContact O-N 2.95Å; A161-C164 WeakPolarHBondContact O-CB 3.42Å; A161-C164 PolarHBondContact O-N 2.82Å; A161-A165 WeakPolarHBondContact O-CB 3.39Å; A161-A165 PolarHBondContact O-N 3.49Å
162	V	98.9	Very high	98.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.5	-51.7	174.3	165.5	0	0	0	0	111.5	L70 A157 S160 C164 A165 M166 I250 L339 I344	L70-V162 HydrophobicContact CD1-CG2 3.83Å; L70-V162 HydrophobicContact CD2-CG2 4.04Å; A157-V162 WeakPolarHBondContact O-CG2 3.47Å; A157-V162 PolarHBondContact O-N 3.43Å; S160-V162 PolarHBondContact O-N 2.86Å; V162-C164 VanDerWaalsContact C-N 3.28Å; V162-C164 PolarHBondContact O-N 2.82Å; V162-A165 PolarHBondContact O-N 3.24Å; V162-M166 HydrophobicContact CG1-CG 4.17Å; V162-M166 HydrophobicContact CG1-SD 3.83Å; V162-M166 VanDerWaalsContact O-CG 3.3Å; V162-M166 WeakPolarHBondContact O-CG 3.46Å; V162-M166 PolarHBondContact O-N 3.02Å; V162-I250 WeakPolarHBondContact CB-O 3.35Å; V162-I250 HydrophobicContact CG1-CG2 4.28Å; V162-I250 WeakPolarHBondContact CG1-O 3.31Å; V162-L339 HydrophobicContact CG2-CD1 3.57Å; V162-L339 HydrophobicContact CG2-CD2 3.79Å; V162-L339 HydrophobicContact CG2-CG 4.33Å; V162-I344 HydrophobicContact CG1-CD1 3.92Å; V162-I344 HydrophobicContact CG1-CG1 3.94Å; V162-I344 HydrophobicContact CG1-CG2 3.96Å; V162-I344 HydrophobicContact CG2-CD1 3.94Å
163	P	99	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-49.8	-44.5	170.5	-33.2	36.3	0	0	0	114.4	C139 T158 S160 A165 M166 M167 L247 I250	C139-P163 HydrophobicContact CB-CB 3.56Å; T158-P163 WeakPolarHBondContact O-CD 3.34Å; S160-P163 WeakPolarHBondContact O-CD 3.46Å; P163-A165 PolarHBondContact O-N 3.06Å; P163-M166 PolarHBondContact O-N 3.13Å; P163-M167 WeakPolarHBondContact O-CG 3.41Å; P163-M167 PolarHBondContact O-N 2.97Å; P163-M167 VanDerWaalsContact O-N 3.1Å; P163-L247 HydrophobicContact CB-CB 3.84Å; P163-L247 HydrophobicContact CG-CB 4.37Å; P163-I250 HydrophobicContact CG-CB 4.16Å
164	C	99	Very high	98.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-58.3	-49.1	174.6	-73.4	0	0	0	0	111.6	L73 C139 H140 S160 A161 V162 M167 L168 F197	L73-C164 HydrophobicContact CD1-CB 3.47Å; L73-C164 VanDerWaalsContact CD1-CB 3.47Å; C139-C164 PolarHBondContact SG-SG 3.48Å; H140-C164 PolarHBondContact O-SG 2.91Å; S160-C164 PolarHBondContact O-N 3.09Å; S160-C164 PolarHBondContact O-SG 3.06Å; A161-C164 WeakPolarHBondContact O-CB 3.42Å; A161-C164 PolarHBondContact O-N 2.82Å; V162-C164 VanDerWaalsContact C-N 3.28Å; V162-C164 PolarHBondContact O-N 2.82Å; C164-M167 PolarHBondContact O-N 2.91Å; C164-L168 WeakPolarHBondContact O-CG 3.38Å; C164-L168 PolarHBondContact O-N 3.46Å; C164-L168 VanDerWaalsContact O-N 3.13Å; C164-F197 HydrophobicContact CB-CD1 4.39Å; C164-F197 HydrophobicContact CB-CE1 4.33Å
165	A	99	Very high	98.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.1	-38.2	-179.6	0	0	0	0	0	112.6	M65 D69 L70 A161 V162 P163 M167 L168 E169	M65-A165 HydrophobicContact CE-CB 4.32Å; M65-A165 HydrophobicContact CG-CB 3.95Å; M65-A165 HydrophobicContact SD-CB 4.17Å; D69-A165 HydrophobicContact CB-CB 4.22Å; L70-A165 HydrophobicContact CB-CB 3.73Å; L70-A165 HydrophobicContact CD1-CB 4.19Å; A161-A165 WeakPolarHBondContact O-CB 3.39Å; A161-A165 PolarHBondContact O-N 3.49Å; V162-A165 PolarHBondContact O-N 3.24Å; P163-A165 PolarHBondContact O-N 3.06Å; A165-M167 VanDerWaalsContact C-N 3.34Å; A165-M167 PolarHBondContact O-N 2.92Å; A165-L168 PolarHBondContact O-N 3.08Å; A165-E169 WeakPolarHBondContact O-CB 3.28Å; A165-E169 PolarHBondContact O-N 2.65Å
166	M	99	Very high	98.8	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-41.9	175.2	-69.8	173.1	66	0	0	111.6	M65 V162 P163 E169 L170 L247 I250 I344 L347 N348	M65-M166 HydrophobicContact SD-CG 4.36Å; V162-M166 HydrophobicContact CG1-CG 4.17Å; V162-M166 HydrophobicContact CG1-SD 3.83Å; V162-M166 VanDerWaalsContact O-CG 3.3Å; V162-M166 WeakPolarHBondContact O-CG 3.46Å; V162-M166 PolarHBondContact O-N 3.02Å; P163-M166 PolarHBondContact O-N 3.13Å; M166-E169 PolarHBondContact O-N 3.14Å; M166-L170 VanDerWaalsContact O-CB 3.29Å; M166-L170 WeakPolarHBondContact O-CB 3.34Å; M166-L170 PolarHBondContact O-N 3.49Å; M166-L247 HydrophobicContact CB-CD2 4.46Å; M166-L247 HydrophobicContact CE-CD2 4.05Å; M166-L247 HydrophobicContact SD-CD2 4.37Å; M166-I250 HydrophobicContact CE-CG2 4.38Å; M166-I250 HydrophobicContact SD-CB 4.36Å; M166-I250 HydrophobicContact SD-CD1 4.49Å; M166-I250 HydrophobicContact SD-CG2 3.71Å; M166-I344 HydrophobicContact CG-CG2 4.12Å; M166-I344 HydrophobicContact SD-CG2 4.35Å; M166-L347 HydrophobicContact CE-CB 3.72Å; M166-N348 WeakPolarHBondContact CB-OD1 3.24Å; M166-N348 WeakPolarHBondContact CG-OD1 3.45Å
167	M	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.7	-38.5	176.2	-72.8	170.7	55.4	0	0	112.3	L137 A138 C139 P163 C164 A165 A171 L195 F197	L137-M167 HydrophobicContact CB-CE 4.35Å; L137-M167 HydrophobicContact CB-CG 4.44Å; L137-M167 WeakPolarHBondContact O-CE 3.49Å; A138-M167 VanDerWaalsContact C-SD 3.58Å; C139-M167 HydrophobicContact CB-SD 4.04Å; C139-M167 PolarHBondContact SG-SD 3.37Å; P163-M167 WeakPolarHBondContact O-CG 3.41Å; P163-M167 PolarHBondContact O-N 2.97Å; P163-M167 VanDerWaalsContact O-N 3.1Å; C164-M167 PolarHBondContact O-N 2.91Å; A165-M167 VanDerWaalsContact C-N 3.34Å; A165-M167 PolarHBondContact O-N 2.92Å; M167-A171 PolarHBondContact O-N 3.48Å; M167-A171 VanDerWaalsContact O-N 3.11Å; M167-L195 HydrophobicContact CE-CB 3.76Å; M167-L195 HydrophobicContact CE-CD2 4.18Å; M167-L195 HydrophobicContact CE-CG 4.44Å; M167-F197 HydrophobicContact CB-CE1 4.07Å; M167-F197 HydrophobicContact CB-CZ 4.05Å; M167-F197 HydrophobicContact CE-CD1 4.16Å; M167-F197 HydrophobicContact CE-CD2 4.4Å; M167-F197 HydrophobicContact CE-CE1 3.75Å; M167-F197 HydrophobicContact CE-CE2 4Å; M167-F197 HydrophobicContact CE-CG 4.47Å; M167-F197 HydrophobicContact CE-CZ 3.67Å; M167-F197 HydrophobicContact SD-CE1 4.22Å
168	L	98.9	Very high	98.6	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-67.8	-43.8	175.3	-67.2	175.5	0	0	0	112	D69 I91 R94 I95 C164 A165 A171 R172 F197	D69-L168 HydrophobicContact CB-CB 4.15Å; D69-L168 HydrophobicContact CB-CD1 4.15Å; I91-L168 HydrophobicContact CG1-CD1 4.39Å; I91-L168 HydrophobicContact CG2-CD2 4.33Å; R94-L168 HydrophobicContact CB-CD1 4.12Å; R94-L168 HydrophobicContact CB-CD2 3.86Å; R94-L168 HydrophobicContact CB-CG 4.49Å; R94-L168 HydrophobicContact CG-CD1 4.14Å; I95-L168 HydrophobicContact CD1-CD2 4.1Å; I95-L168 HydrophobicContact CG1-CD2 3.75Å; C164-L168 WeakPolarHBondContact O-CG 3.38Å; C164-L168 PolarHBondContact O-N 3.46Å; C164-L168 VanDerWaalsContact O-N 3.13Å; A165-L168 PolarHBondContact O-N 3.08Å; L168-A171 PolarHBondContact O-N 3.38Å; L168-R172 PolarHBondContact O-N 3.27Å; L168-F197 HydrophobicContact CD2-CZ 4.21Å
169	E	98.9	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-40.3	176.3	172.8	57.4	-168.7	0	0	111.6	T60 S61 M65 A165 M166 A171 R172 A173	T60-E169 WeakPolarHBondContact CA-OE1 3.46Å; T60-E169 PolarHBondContact OG1-OE1 3.46Å; S61-E169 PolarHBondContact N-OE1 3.21Å; M65-E169 HydrophobicContact CB-CB 3.89Å; M65-E169 HydrophobicContact CB-CG 4Å; M65-E169 HydrophobicContact CG-CB 3.64Å; M65-E169 HydrophobicContact CG-CG 4.24Å; M65-E169 HydrophobicContact SD-CB 3.71Å; M65-E169 HydrophobicContact SD-CG 4.15Å; A165-E169 WeakPolarHBondContact O-CB 3.28Å; A165-E169 PolarHBondContact O-N 2.65Å; M166-E169 PolarHBondContact O-N 3.14Å; E169-A171 VanDerWaalsContact C-N 3.34Å; E169-A171 PolarHBondContact O-N 2.7Å; E169-R172 PolarHBondContact O-N 3.28Å; E169-R172 IonicContact OE1-CZ 3.49Å; E169-R172 IonicContact OE1-NE 2.98Å; E169-R172 IonicContact OE1-NH2 3.78Å; E169-R172 PolarHBondContact OE1-NH2 2.96Å; E169-R172 IonicContact OE2-CZ 3.13Å; E169-R172 IonicContact OE2-NE 3.11Å; E169-R172 PolarHBondContact OE2-NE 3.1Å; E169-R172 IonicContact OE2-NH2 3.95Å; E169-R172 PolarHBondContact OE2-NH2 3.22Å; E169-A173 VanDerWaalsContact O-CB 3.24Å; E169-A173 WeakPolarHBondContact O-CB 3.39Å; E169-A173 PolarHBondContact O-N 2.93Å
170	L	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-47.5	173.6	-178.3	148.5	0	0	0	111.1	L137 M166 R172 L174 L193 L351 Q352 V355	L137-L170 HydrophobicContact CD1-CD1 3.87Å; L137-L170 HydrophobicContact CD1-CD2 4.17Å; M166-L170 VanDerWaalsContact O-CB 3.29Å; M166-L170 WeakPolarHBondContact O-CB 3.34Å; M166-L170 PolarHBondContact O-N 3.49Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 2.8Å; L170-L174 HydrophobicContact CD2-CD1 3.95Å; L170-L174 HydrophobicContact CG-CD1 3.88Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.46Å; L170-L174 VanDerWaalsContact O-CG 3.31Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.28Å; L170-L193 HydrophobicContact CD2-CD2 4.22Å; L170-L351 HydrophobicContact CD1-CB 4.46Å; L170-L351 HydrophobicContact CD1-CD2 3.9Å; L170-L351 HydrophobicContact CD1-CG 3.75Å; L170-Q352 HydrophobicContact CB-CG 4.19Å; L170-Q352 HydrophobicContact CD1-CG 4.02Å; L170-Q352 HydrophobicContact CG-CG 3.92Å; L170-V355 HydrophobicContact CD1-CB 4.31Å; L170-V355 HydrophobicContact CD1-CG2 3.8Å; L170-V355 HydrophobicContact CD2-CG1 4.44Å
171	A	98.8	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-39.6	177.6	0	0	0	0	0	111.6	L98 W102 M167 L168 E169 D175 L195	L98-A171 HydrophobicContact CD1-CB 3.58Å; W102-A171 HydrophobicContact CZ2-CB 4.01Å; M167-A171 PolarHBondContact O-N 3.48Å; M167-A171 VanDerWaalsContact O-N 3.11Å; L168-A171 PolarHBondContact O-N 3.38Å; E169-A171 VanDerWaalsContact C-N 3.34Å; E169-A171 PolarHBondContact O-N 2.7Å; A171-D175 WeakPolarHBondContact O-CA 3.06Å; A171-D175 WeakPolarHBondContact O-CB 3.11Å; A171-D175 PolarHBondContact O-N 3.08Å; A171-D175 VanDerWaalsContact O-N 3.1Å; A171-L195 HydrophobicContact CB-CD1 4.28Å
172	R	98.8	Very high	97.1	Very high	68 Å²	68	26.6 Å²	26.6	26%	0.257	13%	0.128	S	C	.	.	H	α-helix	trans	-70.6	-49.7	177.8	-172.1	-146	63.5	70.6	-1.8	113.1	G59 L98 L168 E169 L170 L174 D175	G59-R172 PolarHBondContact O-NH2 3.15Å; G59-R172 VanDerWaalsContact O-NH2 3.08Å; L98-R172 HydrophobicContact CD2-CB 4.11Å; L98-R172 HydrophobicContact CD2-CG 4.21Å; L168-R172 PolarHBondContact O-N 3.27Å; E169-R172 PolarHBondContact O-N 3.28Å; E169-R172 IonicContact OE1-CZ 3.49Å; E169-R172 IonicContact OE1-NE 2.98Å; E169-R172 IonicContact OE1-NH2 3.78Å; E169-R172 PolarHBondContact OE1-NH2 2.96Å; E169-R172 IonicContact OE2-CZ 3.13Å; E169-R172 IonicContact OE2-NE 3.11Å; E169-R172 PolarHBondContact OE2-NE 3.1Å; E169-R172 IonicContact OE2-NH2 3.95Å; E169-R172 PolarHBondContact OE2-NH2 3.22Å; L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 PolarHBondContact O-N 2.8Å; R172-L174 VanDerWaalsContact C-N 3.28Å; R172-L174 PolarHBondContact O-N 3.47Å; R172-D175 VanDerWaalsContact O-CB 3.32Å; R172-D175 WeakPolarHBondContact O-CB 3.41Å; R172-D175 PolarHBondContact O-N 2.9Å
173	A	98.8	Very high	95.6	Very high	26 Å²	26	31.5 Å²	31.5	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-36.2	-177.4	0	0	0	0	0	111.3	E169	E169-A173 VanDerWaalsContact O-CB 3.24Å; E169-A173 WeakPolarHBondContact O-CB 3.39Å; E169-A173 PolarHBondContact O-N 2.93Å
174	L	98.7	Very high	93.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.5	-179.5	-54.6	-172.7	0	0	0	113.9	L170 R172 K176 K177 L178 Q352 V355 L356	L170-L174 HydrophobicContact CD2-CD1 3.95Å; L170-L174 HydrophobicContact CG-CD1 3.88Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.46Å; L170-L174 VanDerWaalsContact O-CG 3.31Å; L170-L174 WeakPolarHBondContact O-CG 3.43Å; L170-L174 PolarHBondContact O-N 3.28Å; R172-L174 VanDerWaalsContact C-N 3.28Å; R172-L174 PolarHBondContact O-N 3.47Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 3.33Å; L174-K176 VanDerWaalsContact O-N 3.14Å; L174-K177 WeakPolarHBondContact O-CA 3.38Å; L174-K177 WeakPolarHBondContact O-CB 3.49Å; L174-K177 PolarHBondContact O-N 2.75Å; L174-L178 HydrophobicContact CB-CD1 3.91Å; L174-L178 HydrophobicContact CB-CG 3.93Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 2.97Å; L174-Q352 HydrophobicContact CD1-CB 4.28Å; L174-Q352 HydrophobicContact CD1-CG 4.31Å; L174-Q352 HydrophobicContact CD2-CB 4.3Å; L174-Q352 HydrophobicContact CD2-CG 4.46Å; L174-Q352 HydrophobicContact CG-CG 4.31Å; L174-V355 HydrophobicContact CD1-CB 4.48Å; L174-V355 HydrophobicContact CD1-CG1 4.28Å; L174-L356 HydrophobicContact CD1-CD2 3.95Å; L174-L356 HydrophobicContact CD1-CG 3.95Å; L174-L356 HydrophobicContact CD2-CD1 3.76Å; L174-L356 HydrophobicContact CD2-CD2 4.1Å; L174-L356 HydrophobicContact CD2-CG 4.01Å; L174-L356 HydrophobicContact CG-CD2 4.48Å
175	D	98.6	Very high	91.9	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.08	21%	0.208	C	C	.	.	H	α-helix	trans	-48	-48.8	-170.9	-174.3	31.6	0	0	0	113.3	L98 Q99 A100 A171 R172 K177 L178 L179	L98-D175 HydrophobicContact CD2-CB 4.48Å; Q99-D175 WeakPolarHBondContact CB-OD2 3.39Å; Q99-D175 WeakPolarHBondContact CG-OD2 3.41Å; Q99-D175 VanDerWaalsContact N-CG 3.34Å; Q99-D175 PolarHBondContact N-OD1 3.13Å; Q99-D175 PolarHBondContact N-OD2 3.47Å; A100-D175 WeakPolarHBondContact CB-OD1 3.23Å; A100-D175 PolarHBondContact N-OD1 3.28Å; A171-D175 WeakPolarHBondContact O-CA 3.06Å; A171-D175 WeakPolarHBondContact O-CB 3.11Å; A171-D175 PolarHBondContact O-N 3.08Å; A171-D175 VanDerWaalsContact O-N 3.1Å; R172-D175 VanDerWaalsContact O-CB 3.32Å; R172-D175 WeakPolarHBondContact O-CB 3.41Å; R172-D175 PolarHBondContact O-N 2.9Å; D175-K177 VanDerWaalsContact C-N 3.35Å; D175-K177 PolarHBondContact O-N 2.75Å; D175-L178 PolarHBondContact O-N 2.9Å; D175-L179 WeakPolarHBondContact O-CB 3.4Å; D175-L179 PolarHBondContact O-N 3.2Å
176	K	97.3	Very high	90	Very high	168 Å²	168	47.1 Å²	47.1	73%	0.73	25%	0.25	S	C	*	.	H	α-helix	trans	-63	-37.2	178.2	-69.7	-176.7	-179.7	176.5	0	113.4	L174	L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 3.33Å; L174-K176 VanDerWaalsContact O-N 3.14Å
177	K	96.6	Very high	87.9	Confident	53 Å²	53	51.9 Å²	51.9	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-73.8	-43.1	178.1	-75.1	177.2	161.4	-84.8	0	110.5	I56 L174 D175 L179 S180 L356 L361	I56-K177 HydrophobicContact CD1-CD 4.42Å; L174-K177 WeakPolarHBondContact O-CA 3.38Å; L174-K177 WeakPolarHBondContact O-CB 3.49Å; L174-K177 PolarHBondContact O-N 2.75Å; D175-K177 VanDerWaalsContact C-N 3.35Å; D175-K177 PolarHBondContact O-N 2.75Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 PolarHBondContact O-N 3.1Å; K177-S180 VanDerWaalsContact O-CB 3.29Å; K177-S180 WeakPolarHBondContact O-CB 3.49Å; K177-S180 PolarHBondContact O-N 2.88Å; K177-S180 VanDerWaalsContact O-N 3.11Å; K177-S180 PolarHBondContact O-OG 2.8Å; K177-L356 HydrophobicContact CB-CD2 4.17Å; K177-L356 HydrophobicContact CD-CD1 3.79Å; K177-L356 HydrophobicContact CD-CD2 3.61Å; K177-L356 HydrophobicContact CD-CG 4.37Å; K177-L361 VanDerWaalsContact NZ-C 3.27Å; K177-L361 PolarHBondContact NZ-O 2.88Å; K177-L361 PolarHBondContact NZ-OXT 3.04Å
178	L	97	Very high	86.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-33.6	177.1	-67.7	177.3	0	0	0	112.5	A100 W102 L127 L174 D175 S180 L181 L193 L359 L361	A100-L178 HydrophobicContact CB-CB 4.02Å; W102-L178 HydrophobicContact CZ2-CD1 3.94Å; L127-L178 HydrophobicContact CD1-CB 3.85Å; L127-L178 HydrophobicContact CD1-CD1 4.33Å; L127-L178 HydrophobicContact CD1-CD2 4.08Å; L127-L178 HydrophobicContact CD1-CG 4.3Å; L174-L178 HydrophobicContact CB-CD1 3.91Å; L174-L178 HydrophobicContact CB-CG 3.93Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 2.97Å; D175-L178 PolarHBondContact O-N 2.9Å; L178-S180 PolarHBondContact O-N 3.35Å; L178-S180 VanDerWaalsContact O-N 3.16Å; L178-L181 HydrophobicContact CD2-CD1 4.02Å; L178-L181 VanDerWaalsContact O-CB 3.24Å; L178-L181 WeakPolarHBondContact O-CB 3.13Å; L178-L181 PolarHBondContact O-N 2.97Å; L178-L193 HydrophobicContact CD1-CD2 4.13Å; L178-L193 HydrophobicContact CD2-CD2 3.91Å; L178-L359 HydrophobicContact CD2-CD1 4.12Å; L178-L361 HydrophobicContact CD2-CD1 3.95Å
179	L	96.3	Very high	84.3	Confident	55 Å²	55	58.2 Å²	58.2	29%	0.288	32%	0.317	S	S	.	.	H	α-helix	trans	-55.7	-31.5	172.3	178	61.3	0	0	0	112.3	Q99 D175 K177 L181 K182	Q99-L179 HydrophobicContact CB-CD2 4.28Å; Q99-L179 WeakPolarHBondContact O-CD1 3.43Å; D175-L179 WeakPolarHBondContact O-CB 3.4Å; D175-L179 PolarHBondContact O-N 3.2Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 PolarHBondContact O-N 3.1Å; L179-L181 PolarHBondContact O-N 2.9Å; L179-L181 VanDerWaalsContact O-N 3.17Å; L179-K182 HydrophobicContact CD1-CD 4.44Å; L179-K182 VanDerWaalsContact O-CB 3.23Å; L179-K182 WeakPolarHBondContact O-CB 3.37Å; L179-K182 PolarHBondContact O-N 3.07Å
180	S	93.3	Very high	83.7	Confident	44 Å²	44	62.7 Å²	62.7	31%	0.308	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.1	177.7	83.9	0	0	0	0	114.2	K177 L178 K182 K188 L361	K177-S180 VanDerWaalsContact O-CB 3.29Å; K177-S180 WeakPolarHBondContact O-CB 3.49Å; K177-S180 PolarHBondContact O-N 2.88Å; K177-S180 VanDerWaalsContact O-N 3.11Å; K177-S180 PolarHBondContact O-OG 2.8Å; L178-S180 PolarHBondContact O-N 3.35Å; L178-S180 VanDerWaalsContact O-N 3.16Å; S180-K182 VanDerWaalsContact C-N 3.31Å; S180-K188 PolarHBondContact O-NZ 2.54Å; S180-K188 VanDerWaalsContact O-NZ 3.08Å; S180-K188 PolarHBondContact OG-NZ 3.2Å; S180-L361 WeakPolarHBondContact OG-CD2 3.17Å
181	L	90.9	Very high	83.5	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.068	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.5	171.3	-63	174.6	0	0	0	112	L127 N128 L178 L179 T183 L359 L361	L127-L181 HydrophobicContact CD1-CD1 4.1Å; N128-L181 PolarHBondContact ND2-O 3.04Å; N128-L181 PolarHBondContact OD1-O 3.17Å; L178-L181 HydrophobicContact CD2-CD1 4.02Å; L178-L181 VanDerWaalsContact O-CB 3.24Å; L178-L181 WeakPolarHBondContact O-CB 3.13Å; L178-L181 PolarHBondContact O-N 2.97Å; L179-L181 PolarHBondContact O-N 2.9Å; L179-L181 VanDerWaalsContact O-N 3.17Å; L181-T183 VanDerWaalsContact C-N 3.26Å; L181-T183 PolarHBondContact O-N 3.4Å; L181-L359 HydrophobicContact CD1-CD1 4.42Å; L181-L361 HydrophobicContact CD1-CD1 4.09Å; L181-L361 HydrophobicContact CD2-CD1 4.21Å; L181-L361 HydrophobicContact CD2-CD2 3.97Å; L181-L361 HydrophobicContact CD2-CG 4.44Å; L181-L361 HydrophobicContact CG-CD1 4.1Å; L181-L361 HydrophobicContact CG-CD2 4.39Å
182	K	84.1	Confident	83.4	Confident	106 Å²	106	63.1 Å²	63.1	46%	0.461	34%	0.34	S	S	.	.	S	Bend	trans	-62.3	-34.6	176.6	-171.7	173.8	-171.2	148.4	0	112.3	D101 L179 S180 V184	D101-K182 HydrophobicContact CB-CD 4.02Å; D101-K182 HydrophobicContact CB-CG 4.28Å; D101-K182 VanDerWaalsContact CG-NZ 3.29Å; D101-K182 IonicContact OD1-NZ 3.53Å; D101-K182 PolarHBondContact OD1-NZ 3.25Å; D101-K182 WeakPolarHBondContact OD2-CE 3.23Å; D101-K182 IonicContact OD2-NZ 2.81Å; D101-K182 PolarHBondContact OD2-NZ 3.07Å; L179-K182 HydrophobicContact CD1-CD 4.44Å; L179-K182 VanDerWaalsContact O-CB 3.23Å; L179-K182 WeakPolarHBondContact O-CB 3.37Å; L179-K182 PolarHBondContact O-N 3.07Å; S180-K182 VanDerWaalsContact C-N 3.31Å; K182-V184 PolarHBondContact O-N 3.12Å; K182-V184 VanDerWaalsContact O-N 3.11Å
183	T	67.4	Low	83.4	Confident	103 Å²	103	59.9 Å²	59.9	63%	0.632	33%	0.327	S	S	*	.	S	Bend	trans	-80.8	94.1	179.3	-49.6	0	0	0	0	109.5	L181 S185	L181-T183 VanDerWaalsContact C-N 3.26Å; L181-T183 PolarHBondContact O-N 3.4Å; T183-S185 PolarHBondContact O-N 2.91Å; T183-S185 VanDerWaalsContact O-N 3.09Å
184	V	59.9	Low	83.4	Confident	111 Å²	111	59.5 Å²	59.5	67%	0.673	32%	0.321	S	S	*	.			trans	-67.9	105	172.2	-175.6	0	0	0	0	108.3	K182	K182-V184 PolarHBondContact O-N 3.12Å; K182-V184 VanDerWaalsContact O-N 3.11Å
185	S	59.6	Low	83.4	Confident	54 Å²	54	59.3 Å²	59.3	38%	0.378	32%	0.32	S	S	.	.			trans	-101.8	138.2	162.9	178.3	0	0	0	0	107.6	T183 S187 K188	T183-S185 PolarHBondContact O-N 2.91Å; T183-S185 VanDerWaalsContact O-N 3.09Å; S185-S187 PolarHBondContact O-N 3.01Å; S185-S187 PolarHBondContact OG-N 3.03Å; S185-S187 PolarHBondContact OG-OG 2.77Å; S185-K188 PolarHBondContact O-N 3.49Å
186	D	58.5	Low	83.4	Confident	163 Å²	163	58.6 Å²	58.6	87%	0.872	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-13.5	173	-68.9	-30.2	0	0	0	112.8
187	S	56.7	Low	83.5	Confident	101 Å²	101	50.6 Å²	50.6	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.3	177.5	70.5	0	0	0	0	115.3	S185	S185-S187 PolarHBondContact O-N 3.01Å; S185-S187 PolarHBondContact OG-N 3.03Å; S185-S187 PolarHBondContact OG-OG 2.77Å
188	K	59.8	Low	83.6	Confident	79 Å²	79	48.1 Å²	48.1	34%	0.343	27%	0.271	S	S	.	.	S	Bend	trans	-96.9	142.5	178.2	-82	-168.3	176.7	-173.6	0	110.6	S180 S185	S180-K188 PolarHBondContact O-NZ 2.54Å; S180-K188 VanDerWaalsContact O-NZ 3.08Å; S180-K188 PolarHBondContact OG-NZ 3.2Å; S185-K188 PolarHBondContact O-N 3.49Å
189	P	62.1	Low	83.7	Confident	59 Å²	59	48.1 Å²	48.1	38%	0.383	27%	0.271	S	S	.	.			trans	-56.5	143.1	174.9	24.1	-32.2	0	0	0	109.9	L191	P189-L191 HydrophobicContact CB-CB 4.33Å; P189-L191 PolarHBondContact O-N 3.16Å
190	H	85.1	Confident	83.9	Confident	93 Å²	93	45.5 Å²	45.5	43%	0.431	26%	0.257	S	S	.	.	S	Bend	trans	-72.1	44.1	177.2	-63.7	-73.6	0	0	0	112.5	K132 R133	K132-H190 HydrophobicContact CB-CB 4.38Å; K132-H190 PolarHBondContact N-O 3.18Å; R133-H190 PolarHBondContact N-O 2.92Å
191	L	95.4	Very high	84.1	Confident	10 Å²	10	43.9 Å²	43.9	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132	-175.1	174.9	64.2	0	0	0	109.4	R133 P189 D242 Y358 L359	R133-L191 HydrophobicContact CB-CB 4.38Å; R133-L191 HydrophobicContact CB-CD1 3.86Å; R133-L191 CarbonylContact O-C 3.5Å; R133-L191 VanDerWaalsContact O-CA 3.25Å; R133-L191 WeakPolarHBondContact O-CA 3.49Å; P189-L191 HydrophobicContact CB-CB 4.33Å; P189-L191 PolarHBondContact O-N 3.16Å; L191-D242 HydrophobicContact CD1-CB 4.24Å; L191-Y358 HydrophobicContact CD1-CE1 4.15Å; L191-Y358 HydrophobicContact CD2-CD1 3.81Å; L191-Y358 HydrophobicContact CD2-CE1 3.7Å; L191-L359 HydrophobicContact CD2-CD2 4.18Å; L191-L359 HydrophobicContact CG-CD2 3.91Å
192	S	97.1	Very high	84.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	-164.1	175.1	-156.8	0	0	0	0	111.4	L127 R133 H134 L135 L359	L127-S192 WeakPolarHBondContact CB-OG 3.42Å; L127-S192 WeakPolarHBondContact O-CB 3.01Å; L127-S192 PolarHBondContact O-OG 3.34Å; R133-S192 PolarHBondContact O-N 2.96Å; H134-S192 VanDerWaalsContact CA-O 3.31Å; H134-S192 WeakPolarHBondContact CA-O 3.43Å; L135-S192 PolarHBondContact N-O 2.79Å; S192-L359 WeakPolarHBondContact O-CD2 3.47Å
193	L	98.6	Very high	85.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.1	-176.6	-172.8	61.9	0	0	0	111	W102 L127 L135 L137 L170 L178 L195 V355 L359	W102-L193 HydrophobicContact CH2-CB 4.42Å; W102-L193 HydrophobicContact CH2-CD2 3.8Å; W102-L193 HydrophobicContact CH2-CG 4.01Å; W102-L193 HydrophobicContact CZ2-CD2 4.32Å; L127-L193 HydrophobicContact CD1-CB 4.37Å; L127-L193 PolarHBondContact N-O 2.86Å; L135-L193 HydrophobicContact CB-CD1 4.28Å; L135-L193 HydrophobicContact CD2-CD1 4.25Å; L135-L193 HydrophobicContact CG-CD1 4.23Å; L135-L193 WeakPolarHBondContact O-CA 3.3Å; L137-L193 HydrophobicContact CG-CD1 4.2Å; L170-L193 HydrophobicContact CD2-CD2 4.22Å; L178-L193 HydrophobicContact CD1-CD2 4.13Å; L178-L193 HydrophobicContact CD2-CD2 3.91Å; L193-L195 HydrophobicContact CG-CD2 4.4Å; L193-V355 HydrophobicContact CD1-CG1 4.27Å; L193-V355 HydrophobicContact CD2-CG1 4.17Å; L193-L359 HydrophobicContact CB-CD1 3.97Å; L193-L359 HydrophobicContact CD1-CD1 4.41Å; L193-L359 HydrophobicContact CD2-CD1 4.38Å; L193-L359 HydrophobicContact CG-CD1 4.49Å
194	Q	98.9	Very high	86.7	Confident	18 Å²	18	34 Å²	34	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.2	170.5	-177.9	171.9	78.3	0	0	109.6	I124 S125 T126 H134 L135 V136 L137 I196	I124-Q194 HydrophobicContact CG2-CG 4.04Å; S125-Q194 CarbonylContact O-C 3.52Å; S125-Q194 WeakPolarHBondContact O-CA 3.43Å; T126-Q194 HydrophobicContact CG2-CB 4.2Å; T126-Q194 HydrophobicContact CG2-CG 4.31Å; T126-Q194 PolarHBondContact OG1-NE2 3.45Å; H134-Q194 HydrophobicContact CB-CB 4.1Å; L135-Q194 PolarHBondContact O-N 3.11Å; V136-Q194 WeakPolarHBondContact CA-O 3.21Å; V136-Q194 HydrophobicContact CG2-CB 4.09Å; L137-Q194 PolarHBondContact N-O 3.37Å; Q194-I196 HydrophobicContact CG-CG1 4.19Å
195	L	98.9	Very high	88.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.1	171.2	-50.9	179.5	0	0	0	108.4	W102 S125 L137 M167 A171 L193 F197	W102-L195 HydrophobicContact CH2-CD1 3.69Å; W102-L195 HydrophobicContact CH2-CD2 4.28Å; W102-L195 HydrophobicContact CH2-CG 3.63Å; W102-L195 HydrophobicContact CZ2-CD1 4.15Å; W102-L195 HydrophobicContact CZ3-CD1 4.09Å; W102-L195 HydrophobicContact CZ3-CG 3.83Å; S125-L195 PolarHBondContact N-O 2.83Å; S125-L195 PolarHBondContact O-N 2.97Å; L137-L195 HydrophobicContact CB-CD2 3.82Å; L137-L195 HydrophobicContact CD1-CD2 3.95Å; L137-L195 HydrophobicContact CG-CD2 4.12Å; L137-L195 CarbonylContact O-C 3.21Å; L137-L195 VanDerWaalsContact O-CA 3.31Å; L137-L195 WeakPolarHBondContact O-CA 3.38Å; M167-L195 HydrophobicContact CE-CB 3.76Å; M167-L195 HydrophobicContact CE-CD2 4.18Å; M167-L195 HydrophobicContact CE-CG 4.44Å; A171-L195 HydrophobicContact CB-CD1 4.28Å; L193-L195 HydrophobicContact CG-CD2 4.4Å; L195-F197 HydrophobicContact CB-CE2 3.95Å; L195-F197 HydrophobicContact CB-CZ 4.49Å
196	I	99	Very high	90.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.7	174.4	-56.5	177.6	0	0	0	109.1	I123 V136 L137 A138 C139 Q194 F198 L219	I123-I196 WeakPolarHBondContact O-CA 3.41Å; V136-I196 HydrophobicContact CG1-CD1 3.67Å; V136-I196 HydrophobicContact CG1-CG1 3.91Å; L137-I196 PolarHBondContact O-N 2.62Å; A138-I196 WeakPolarHBondContact CA-O 3.15Å; A138-I196 HydrophobicContact CB-CB 4.03Å; A138-I196 WeakPolarHBondContact CB-O 3.43Å; C139-I196 PolarHBondContact N-O 3.32Å; Q194-I196 HydrophobicContact CG-CG1 4.19Å; I196-F198 HydrophobicContact CB-CE2 4.48Å; I196-F198 HydrophobicContact CB-CZ 4.3Å; I196-F198 HydrophobicContact CD1-CZ 4.42Å; I196-F198 HydrophobicContact CG2-CD1 3.72Å; I196-F198 HydrophobicContact CG2-CD2 4.18Å; I196-F198 HydrophobicContact CG2-CE1 3.48Å; I196-F198 VanDerWaalsContact CG2-CE1 3.48Å; I196-F198 HydrophobicContact CG2-CE2 3.97Å; I196-F198 HydrophobicContact CG2-CG 4.07Å; I196-F198 HydrophobicContact CG2-CZ 3.6Å; I196-L219 HydrophobicContact CD1-CD2 4.07Å; I196-L219 HydrophobicContact CG2-CD2 3.73Å
197	F	99	Very high	92	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	103.3	170.3	-52.6	-99.1	0	0	0	107.3	I91 I95 N122 I123 C139 Y141 C164 M167 L168 L195	I91-F197 HydrophobicContact CD1-CB 4.43Å; I91-F197 HydrophobicContact CD1-CD1 3.99Å; I91-F197 HydrophobicContact CD1-CE1 4.49Å; I91-F197 HydrophobicContact CD1-CG 4.23Å; I91-F197 HydrophobicContact CG2-CD1 4.24Å; I91-F197 HydrophobicContact CG2-CD2 3.75Å; I91-F197 HydrophobicContact CG2-CE1 4.14Å; I91-F197 HydrophobicContact CG2-CE2 3.65Å; I91-F197 HydrophobicContact CG2-CG 4.05Å; I91-F197 HydrophobicContact CG2-CZ 3.85Å; I95-F197 HydrophobicContact CD1-CE2 3.97Å; I95-F197 HydrophobicContact CD1-CZ 4.42Å; N122-F197 WeakPolarHBondContact CA-O 3.31Å; I123-F197 HydrophobicContact CB-CB 4.12Å; I123-F197 HydrophobicContact CB-CD2 4.2Å; I123-F197 HydrophobicContact CD1-CB 4.33Å; I123-F197 HydrophobicContact CG2-CD2 4.38Å; I123-F197 PolarHBondContact N-O 2.84Å; I123-F197 PolarHBondContact O-N 2.83Å; C139-F197 CarbonylContact O-C 3.52Å; C139-F197 WeakPolarHBondContact O-CA 3.32Å; Y141-F197 HydrophobicContact CD1-CB 4.04Å; C164-F197 HydrophobicContact CB-CD1 4.39Å; C164-F197 HydrophobicContact CB-CE1 4.33Å; M167-F197 HydrophobicContact CB-CE1 4.07Å; M167-F197 HydrophobicContact CB-CZ 4.05Å; M167-F197 HydrophobicContact CE-CD1 4.16Å; M167-F197 HydrophobicContact CE-CD2 4.4Å; M167-F197 HydrophobicContact CE-CE1 3.75Å; M167-F197 HydrophobicContact CE-CE2 4Å; M167-F197 HydrophobicContact CE-CG 4.47Å; M167-F197 HydrophobicContact CE-CZ 3.67Å; M167-F197 HydrophobicContact SD-CE1 4.22Å; L168-F197 HydrophobicContact CD2-CZ 4.21Å; L195-F197 HydrophobicContact CB-CE2 3.95Å; L195-F197 HydrophobicContact CB-CZ 4.49Å
198	F	99	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	146.7	-178.3	-64.7	-70.2	0	0	0	111.4	N122 A138 C139 H140 Y141 I196 L219 D306 F310	N122-F198 WeakPolarHBondContact OD1-CA 3.34Å; A138-F198 HydrophobicContact CB-CD2 4.21Å; A138-F198 HydrophobicContact CB-CE2 3.58Å; A138-F198 HydrophobicContact CB-CZ 4.41Å; C139-F198 PolarHBondContact O-N 3.14Å; H140-F198 CarbonylContact C-O 3.59Å; H140-F198 WeakPolarHBondContact CA-O 3.44Å; H140-F198 HydrophobicContact CB-CB 4.24Å; Y141-F198 WeakPolarHBondContact CD1-O 3.29Å; Y141-F198 PolarHBondContact N-O 2.87Å; I196-F198 HydrophobicContact CB-CE2 4.48Å; I196-F198 HydrophobicContact CB-CZ 4.3Å; I196-F198 HydrophobicContact CD1-CZ 4.42Å; I196-F198 HydrophobicContact CG2-CD1 3.72Å; I196-F198 HydrophobicContact CG2-CD2 4.18Å; I196-F198 HydrophobicContact CG2-CE1 3.48Å; I196-F198 VanDerWaalsContact CG2-CE1 3.48Å; I196-F198 HydrophobicContact CG2-CE2 3.97Å; I196-F198 HydrophobicContact CG2-CG 4.07Å; I196-F198 HydrophobicContact CG2-CZ 3.6Å; F198-L219 HydrophobicContact CD1-CD2 4.39Å; F198-L219 HydrophobicContact CE1-CB 4.33Å; F198-L219 HydrophobicContact CE1-CD2 3.83Å; F198-D306 WeakPolarHBondContact CB-OD2 3.34Å; F198-D306 HydrophobicContact CD2-CB 3.7Å; F198-D306 WeakPolarHBondContact CD2-OD2 3.07Å; F198-D306 HydrophobicContact CE2-CB 3.87Å; F198-D306 HydrophobicContact CG-CB 4.35Å; F198-D306 WeakPolarHBondContact CG-OD2 3.41Å; F198-F310 AromaticContact CE1-CE2 3.76Å; F198-F310 HydrophobicContact CE1-CE2 3.76Å; F198-F310 AromaticContact CE1-CZ 3.84Å; F198-F310 HydrophobicContact CE1-CZ 3.84Å; F198-F310 HydrophobicContact CE2-CE2 4.48Å; F198-F310 HydrophobicContact CZ-CD2 4.48Å; F198-F310 AromaticContact CZ-CE2 3.44Å; F198-F310 HydrophobicContact CZ-CE2 3.44Å; F198-F310 VanDerWaalsContact CZ-CE2 3.44Å; F198-F310 AromaticContact CZ-CZ 3.7Å; F198-F310 HydrophobicContact CZ-CZ 3.7Å
199	D	98.9	Very high	95.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.161	C	C	.	.	S	Bend	trans	-108.6	139.2	171.7	-164.3	1.5	0	0	0	110.2	P79 F120 S121 N122 Y141 G215	P79-D199 WeakPolarHBondContact CG-OD1 3.28Å; F120-D199 WeakPolarHBondContact CA-OD2 3.11Å; F120-D199 HydrophobicContact CB-CB 4.34Å; S121-D199 PolarHBondContact N-OD2 3.38Å; N122-D199 PolarHBondContact OD1-N 3.17Å; Y141-D199 HydrophobicContact CD1-CB 4.47Å; Y141-D199 HydrophobicContact CE1-CB 3.56Å; Y141-D199 VanDerWaalsContact OH-CG 3.3Å; Y141-D199 PolarHBondContact OH-OD2 3.22Å; Y141-D199 VanDerWaalsContact OH-OD2 3.07Å; D199-G215 WeakPolarHBondContact O-CA 3.4Å; D199-G215 PolarHBondContact O-N 3.47Å
200	G	98.8	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.			trans	63.7	47.1	179	0	0	0	0	0	112.3	D142 L213 Y214	D142-G200 PolarHBondContact OD1-N 3.02Å; D142-G200 VanDerWaalsContact OD2-CA 3.28Å; D142-G200 WeakPolarHBondContact OD2-CA 3.32Å; D142-G200 PolarHBondContact OD2-N 3.4Å; G200-L213 CarbonylContact O-C 3.41Å; G200-L213 PolarHBondContact O-N 3.37Å; G200-Y214 WeakPolarHBondContact O-CB 3.33Å; G200-Y214 VanDerWaalsContact O-CD2 3.27Å; G200-Y214 WeakPolarHBondContact O-CD2 3.33Å; G200-Y214 PolarHBondContact O-N 2.89Å
201	E	98.9	Very high	98.1	Very high	10 Å²	10	30.7 Å²	30.7	5%	0.047	16%	0.155	C	C	.	.			trans	-58.5	-44.5	160.8	-170.8	-69	146.8	0	0	108.4	H140 D142 W207 S212 L213 D306	H140-E201 HydrophobicContact CB-CB 3.39Å; H140-E201 HydrophobicContact CB-CG 3.99Å; H140-E201 VanDerWaalsContact CG-CB 3.48Å; D142-E201 PolarHBondContact OD1-N 3.44Å; D142-E201 PolarHBondContact OD2-N 2.94Å; E201-W207 WeakPolarHBondContact OE1-CH2 3.31Å; E201-W207 VanDerWaalsContact OE1-CZ3 3.32Å; E201-W207 WeakPolarHBondContact OE1-CZ3 3.46Å; E201-S212 CarbonylContact O-C 3.51Å; E201-L213 HydrophobicContact CG-CD2 3.99Å; E201-L213 PolarHBondContact O-N 3.17Å; E201-L213 WeakPolarHBondContact OE1-CD2 3.17Å; E201-D306 WeakPolarHBondContact CG-OD2 3.47Å
202	E	98.8	Very high	98.3	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.028	15%	0.153	C	C	.	.	S	Bend	trans	-73.7	148	-167	-79.9	-76.4	-148.7	0	0	113.8	D142 K144 H330	D142-E202 PolarHBondContact OD2-N 2.92Å; K144-E202 HydrophobicContact CB-CB 4.35Å; K144-E202 HydrophobicContact CB-CG 3.93Å; K144-E202 WeakPolarHBondContact CB-OE1 3.14Å; K144-E202 HydrophobicContact CG-CB 4.39Å; K144-E202 HydrophobicContact CG-CG 4.33Å; K144-E202 IonicContact NZ-OE2 3.74Å; K144-E202 PolarHBondContact NZ-OE2 3.47Å; E202-H330 IonicContact OE1-CD2 2.93Å; E202-H330 IonicContact OE1-CE1 3.27Å; E202-H330 IonicContact OE1-NE2 2.69Å; E202-H330 PolarHBondContact OE1-NE2 3.44Å; E202-H330 IonicContact OE2-NE2 3.63Å
203	A	98.5	Very high	98.4	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	16%	0.156	C	C	.	.			trans	-67.9	133.8	166.2	0	0	0	0	0	110.3	K144 L205 W207 D211	K144-A203 PolarHBondContact NZ-O 3.42Å; A203-L205 VanDerWaalsContact C-N 3.3Å; A203-W207 HydrophobicContact CB-CB 4.19Å; A203-W207 HydrophobicContact CB-CE3 4.22Å; A203-D211 VanDerWaalsContact CA-O 3.25Å; A203-D211 WeakPolarHBondContact CA-O 3.26Å; A203-D211 WeakPolarHBondContact CB-O 3.25Å
204	F	98.3	Very high	98.4	Very high	8 Å²	8	31 Å²	31	4%	0.035	16%	0.156	C	C	.	.	S	Bend	trans	-69.9	-29.5	172.2	-90.1	-75.9	0	0	0	112.7	P79 T113 P114 Y115 F120 D211 Y214	P79-F204 HydrophobicContact CB-CZ 3.9Å; P79-F204 HydrophobicContact CG-CE2 4.27Å; P79-F204 HydrophobicContact CG-CZ 3.87Å; T113-F204 HydrophobicContact CG2-CD2 3.95Å; T113-F204 HydrophobicContact CG2-CE2 3.8Å; P114-F204 HydrophobicContact CG-CB 4.38Å; Y115-F204 HydrophobicContact CD2-CB 3.91Å; Y115-F204 AromaticContact CD2-CD1 3.83Å; Y115-F204 HydrophobicContact CD2-CD1 3.83Å; Y115-F204 HydrophobicContact CD2-CG 4.07Å; Y115-F204 HydrophobicContact CE2-CB 3.81Å; Y115-F204 HydrophobicContact CE2-CD1 4.07Å; Y115-F204 HydrophobicContact CE2-CG 4.33Å; F120-F204 AromaticContact CE1-CE2 3.85Å; F120-F204 HydrophobicContact CE1-CE2 3.85Å; F120-F204 HydrophobicContact CE1-CZ 4.42Å; F120-F204 AromaticContact CZ-CE2 3.72Å; F120-F204 HydrophobicContact CZ-CE2 3.72Å; F120-F204 HydrophobicContact CZ-CZ 4.44Å; F204-D211 WeakPolarHBondContact CB-OD1 3.43Å; F204-D211 PolarHBondContact N-OD1 2.96Å; F204-D211 PolarHBondContact N-OD2 3.37Å; F204-Y214 AromaticContact CD2-CE2 3.85Å; F204-Y214 HydrophobicContact CD2-CE2 3.85Å; F204-Y214 AromaticContact CD2-CZ 4Å; F204-Y214 HydrophobicContact CE2-CE2 4.22Å
205	L	96.2	Very high	98.4	Very high	93 Å²	93	30.1 Å²	30.1	49%	0.487	15%	0.152	S	C	.	.	S	Bend	trans	-138.7	-63.2	-178	-177.2	67.3	0	0	0	111.8	P114 A203 D211	P114-L205 HydrophobicContact CB-CB 4.32Å; P114-L205 HydrophobicContact CG-CB 4.24Å; A203-L205 VanDerWaalsContact C-N 3.3Å; L205-D211 PolarHBondContact N-OD2 3.09Å
206	H	96.5	Very high	98.4	Very high	135 Å²	135	30.1 Å²	30.1	63%	0.625	15%	0.152	S	C	*	.	S	Bend	trans	-137.6	119.8	-175.1	-70.1	-44	0	0	0	109.6	S208 D211	H206-S208 PolarHBondContact O-N 3.45Å; H206-S208 PolarHBondContact O-OG 3.06Å; H206-D211 PolarHBondContact N-OD2 3.15Å; H206-D211 WeakPolarHBondContact O-CB 3.3Å
207	W	97.8	Very high	98.4	Very high	92 Å²	92	34 Å²	34	35%	0.348	17%	0.167	S	C	.	.			trans	-52.5	116.7	178	-174.1	-84.3	0	0	0	110.8	E201 A203 S212 L213 Q304	E201-W207 WeakPolarHBondContact OE1-CH2 3.31Å; E201-W207 VanDerWaalsContact OE1-CZ3 3.32Å; E201-W207 WeakPolarHBondContact OE1-CZ3 3.46Å; A203-W207 HydrophobicContact CB-CB 4.19Å; A203-W207 HydrophobicContact CB-CE3 4.22Å; W207-S212 VanDerWaalsContact CE3-CB 3.45Å; W207-S212 WeakPolarHBondContact CZ2-OG 3.38Å; W207-L213 HydrophobicContact CH2-CD1 4.42Å; W207-L213 HydrophobicContact CH2-CD2 3.58Å; W207-L213 HydrophobicContact CH2-CG 3.81Å; W207-L213 HydrophobicContact CZ2-CD1 4.24Å; W207-L213 HydrophobicContact CZ2-CD2 4.23Å; W207-L213 HydrophobicContact CZ2-CG 4.04Å; W207-L213 HydrophobicContact CZ3-CD2 4.49Å; W207-Q304 HydrophobicContact CZ2-CB 3.52Å
208	S	98.1	Very high	98.4	Very high	36 Å²	36	37 Å²	37	25%	0.252	18%	0.181	S	C	.	.	S	Bend	trans	-154.6	163.9	-178.5	67.4	0	0	0	0	109.3	H206 Q210 D211 S212	H206-S208 PolarHBondContact O-N 3.45Å; H206-S208 PolarHBondContact O-OG 3.06Å; S208-Q210 PolarHBondContact O-N 2.96Å; S208-D211 CarbonylContact O-C 3.52Å; S208-D211 PolarHBondContact O-N 3.5Å; S208-D211 VanDerWaalsContact O-N 3.12Å; S208-D211 WeakPolarHBondContact OG-CB 3.45Å; S208-D211 PolarHBondContact OG-N 3.48Å; S208-S212 PolarHBondContact O-OG 3.21Å
209	P	97.2	Very high	98.4	Very high	92 Å²	92	37.3 Å²	37.3	60%	0.597	18%	0.182	S	C	*	.	S	Bend	trans	-57.9	-16.4	179.5	-24.4	34.4	0	0	0	115.2
210	Q	97.7	Very high	98.4	Very high	136 Å²	136	37.2 Å²	37.2	64%	0.636	18%	0.182	S	C	*	.	S	Bend	trans	-104	-29.8	178.6	-63	76.3	26	0	0	113	S208 R217	S208-Q210 PolarHBondContact O-N 2.96Å; Q210-R217 PolarHBondContact O-NH2 3.31Å
211	D	98.7	Very high	98.4	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	20%	0.199	C	C	.	.	S	Bend	trans	-110.8	61.9	179.6	-174.9	34.3	0	0	0	111	P114 A203 F204 L205 H206 S208 Y214	P114-D211 WeakPolarHBondContact CD-OD1 3.39Å; P114-D211 HydrophobicContact CG-CB 4Å; P114-D211 VanDerWaalsContact CG-CG 3.48Å; P114-D211 WeakPolarHBondContact CG-OD2 3.3Å; A203-D211 VanDerWaalsContact CA-O 3.25Å; A203-D211 WeakPolarHBondContact CA-O 3.26Å; A203-D211 WeakPolarHBondContact CB-O 3.25Å; F204-D211 WeakPolarHBondContact CB-OD1 3.43Å; F204-D211 PolarHBondContact N-OD1 2.96Å; F204-D211 PolarHBondContact N-OD2 3.37Å; L205-D211 PolarHBondContact N-OD2 3.09Å; H206-D211 PolarHBondContact N-OD2 3.15Å; H206-D211 WeakPolarHBondContact O-CB 3.3Å; S208-D211 CarbonylContact O-C 3.52Å; S208-D211 PolarHBondContact O-N 3.5Å; S208-D211 VanDerWaalsContact O-N 3.12Å; S208-D211 WeakPolarHBondContact OG-CB 3.45Å; S208-D211 PolarHBondContact OG-N 3.48Å; D211-Y214 WeakPolarHBondContact CA-OH 3.32Å; D211-Y214 PolarHBondContact OD1-OH 3.38Å
212	S	98.8	Very high	98.4	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.028	21%	0.214	C	C	.	.	S	Bend	trans	-175	168.4	167.1	61.9	0	0	0	0	110.2	E201 W207 S208 Y214 R217	E201-S212 CarbonylContact O-C 3.51Å; W207-S212 VanDerWaalsContact CE3-CB 3.45Å; W207-S212 WeakPolarHBondContact CZ2-OG 3.38Å; S208-S212 PolarHBondContact O-OG 3.21Å; S212-Y214 PolarHBondContact O-N 2.89Å; S212-Y214 VanDerWaalsContact O-N 3.13Å; S212-R217 VanDerWaalsContact O-CZ 3.24Å; S212-R217 PolarHBondContact O-NE 2.93Å; S212-R217 PolarHBondContact O-NH2 2.9Å
213	L	98.8	Very high	98.4	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.047	21%	0.214	C	C	.	.			trans	55.1	36.4	168.8	-53.3	-174.5	0	0	0	112.9	G200 E201 W207 S216 R217 D305 I308	G200-L213 CarbonylContact O-C 3.41Å; G200-L213 PolarHBondContact O-N 3.37Å; E201-L213 HydrophobicContact CG-CD2 3.99Å; E201-L213 PolarHBondContact O-N 3.17Å; E201-L213 WeakPolarHBondContact OE1-CD2 3.17Å; W207-L213 HydrophobicContact CH2-CD1 4.42Å; W207-L213 HydrophobicContact CH2-CD2 3.58Å; W207-L213 HydrophobicContact CH2-CG 3.81Å; W207-L213 HydrophobicContact CZ2-CD1 4.24Å; W207-L213 HydrophobicContact CZ2-CD2 4.23Å; W207-L213 HydrophobicContact CZ2-CG 4.04Å; W207-L213 HydrophobicContact CZ3-CD2 4.49Å; L213-S216 WeakPolarHBondContact CB-OG 3.46Å; L213-S216 PolarHBondContact O-OG 2.68Å; L213-R217 HydrophobicContact CB-CG 4.03Å; L213-R217 WeakPolarHBondContact O-CB 3.33Å; L213-R217 WeakPolarHBondContact O-CG 3.37Å; L213-R217 PolarHBondContact O-N 3.08Å; L213-R217 PolarHBondContact O-NE 2.96Å; L213-R217 VanDerWaalsContact O-NE 3.08Å; L213-D305 WeakPolarHBondContact CD1-O 3.3Å; L213-D305 VanDerWaalsContact CD2-C 3.41Å; L213-I308 HydrophobicContact CD1-CB 4.26Å
214	Y	98.9	Very high	98.4	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-53.2	-175.5	-66.4	-88.2	0	0	0	110.5	F109 Q112 T113 P114 F120 G200 F204 D211 S212 H218	F109-Y214 WeakPolarHBondContact CZ-O 3.47Å; Q112-Y214 WeakPolarHBondContact O-CE1 3.46Å; T113-Y214 HydrophobicContact CG2-CE1 3.86Å; P114-Y214 WeakPolarHBondContact CD-OH 3.27Å; F120-Y214 HydrophobicContact CD1-CG 4.38Å; F120-Y214 HydrophobicContact CE1-CD1 4.17Å; F120-Y214 AromaticContact CE1-CD2 3.86Å; F120-Y214 HydrophobicContact CE1-CD2 3.86Å; F120-Y214 AromaticContact CE1-CG 3.62Å; F120-Y214 HydrophobicContact CE1-CG 3.62Å; F120-Y214 HydrophobicContact CE2-CD1 4.08Å; F120-Y214 HydrophobicContact CE2-CG 4.31Å; F120-Y214 AromaticContact CZ-CD1 3.61Å; F120-Y214 HydrophobicContact CZ-CD1 3.61Å; F120-Y214 HydrophobicContact CZ-CD2 4.01Å; F120-Y214 HydrophobicContact CZ-CE1 4.06Å; F120-Y214 HydrophobicContact CZ-CE2 4.43Å; F120-Y214 AromaticContact CZ-CG 3.57Å; F120-Y214 HydrophobicContact CZ-CG 3.57Å; G200-Y214 WeakPolarHBondContact O-CB 3.33Å; G200-Y214 VanDerWaalsContact O-CD2 3.27Å; G200-Y214 WeakPolarHBondContact O-CD2 3.33Å; G200-Y214 PolarHBondContact O-N 2.89Å; F204-Y214 AromaticContact CD2-CE2 3.85Å; F204-Y214 HydrophobicContact CD2-CE2 3.85Å; F204-Y214 AromaticContact CD2-CZ 4Å; F204-Y214 HydrophobicContact CE2-CE2 4.22Å; D211-Y214 WeakPolarHBondContact CA-OH 3.32Å; D211-Y214 PolarHBondContact OD1-OH 3.38Å; S212-Y214 PolarHBondContact O-N 2.89Å; S212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-H218 WeakPolarHBondContact O-CB 3.45Å; Y214-H218 PolarHBondContact O-N 3.06Å
215	G	98.9	Very high	98.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-54.3	-179.3	0	0	0	0	0	113.5	N122 D199 H218 L219	N122-G215 PolarHBondContact ND2-O 3.42Å; N122-G215 VanDerWaalsContact ND2-O 3.1Å; N122-G215 WeakPolarHBondContact OD1-CA 3.29Å; D199-G215 WeakPolarHBondContact O-CA 3.4Å; D199-G215 PolarHBondContact O-N 3.47Å; G215-H218 PolarHBondContact O-N 2.94Å; G215-L219 WeakPolarHBondContact O-CB 3.36Å; G215-L219 PolarHBondContact O-N 2.9Å
216	S	98.9	Very high	98.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.2	-37.6	-177.9	55.1	0	0	0	0	113.4	L213 H218 L219 A220 D306	L213-S216 WeakPolarHBondContact CB-OG 3.46Å; L213-S216 PolarHBondContact O-OG 2.68Å; S216-H218 VanDerWaalsContact C-N 3.32Å; S216-H218 PolarHBondContact O-N 2.98Å; S216-L219 PolarHBondContact O-N 3.35Å; S216-A220 WeakPolarHBondContact O-CB 3.01Å; S216-A220 PolarHBondContact O-N 2.9Å; S216-D306 WeakPolarHBondContact CB-O 3.28Å; S216-D306 WeakPolarHBondContact CB-OD1 3.01Å; S216-D306 PolarHBondContact OG-OD1 3.23Å
217	R	98.9	Very high	98.6	Very high	82 Å²	82	43.3 Å²	43.3	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-44	174	-75.6	-177.4	-64.5	121	-8.3	111.1	Q210 S212 L213 A221 P309	Q210-R217 PolarHBondContact O-NH2 3.31Å; S212-R217 VanDerWaalsContact O-CZ 3.24Å; S212-R217 PolarHBondContact O-NE 2.93Å; S212-R217 PolarHBondContact O-NH2 2.9Å; L213-R217 HydrophobicContact CB-CG 4.03Å; L213-R217 WeakPolarHBondContact O-CB 3.33Å; L213-R217 WeakPolarHBondContact O-CG 3.37Å; L213-R217 PolarHBondContact O-N 3.08Å; L213-R217 PolarHBondContact O-NE 2.96Å; L213-R217 VanDerWaalsContact O-NE 3.08Å; R217-A221 WeakPolarHBondContact O-CB 3.46Å; R217-A221 PolarHBondContact O-N 2.91Å; R217-P309 HydrophobicContact CB-CG 4.36Å; R217-P309 HydrophobicContact CG-CG 3.71Å
218	H	98.9	Very high	98.6	Very high	63 Å²	63	39.4 Å²	39.4	29%	0.292	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-54.5	176.8	179.5	-94.8	0	0	0	111.3	D107 F109 Y214 G215 S216 A220 A221 K222	D107-H218 IonicContact OD1-CE1 2.65Å; D107-H218 PolarHBondContact OD1-CE1 2.9Å; D107-H218 VanDerWaalsContact OD1-CE1 3.28Å; D107-H218 IonicContact OD1-ND1 3.67Å; D107-H218 IonicContact OD2-CE1 3.33Å; D107-H218 PolarHBondContact OD2-CE1 2.86Å; D107-H218 VanDerWaalsContact OD2-CE1 3.27Å; D107-H218 IonicContact OD2-ND1 3.21Å; D107-H218 PolarHBondContact OD2-ND1 3.1Å; F109-H218 WeakPolarHBondContact CB-NE2 3.37Å; F109-H218 HydrophobicContact CD1-CB 4.04Å; F109-H218 AromaticContact CD1-CD2 3.99Å; F109-H218 AromaticContact CD1-CE1 3.72Å; F109-H218 AromaticContact CD1-CG 3.52Å; F109-H218 AromaticContact CD1-ND1 3.34Å; F109-H218 VanDerWaalsContact CD1-ND1 3.34Å; F109-H218 WeakPolarHBondContact CD1-ND1 3.39Å; F109-H218 HydrophobicContact CD2-CB 3.99Å; F109-H218 AromaticContact CD2-CD2 3.65Å; F109-H218 AromaticContact CD2-CG 3.73Å; F109-H218 HydrophobicContact CE1-CB 3.75Å; F109-H218 AromaticContact CE1-CG 3.76Å; F109-H218 AromaticContact CE1-ND1 3.79Å; F109-H218 HydrophobicContact CE2-CB 3.68Å; F109-H218 AromaticContact CE2-CG 3.95Å; F109-H218 HydrophobicContact CG-CB 4.17Å; F109-H218 AromaticContact CG-CD2 3.51Å; F109-H218 AromaticContact CG-CE1 3.76Å; F109-H218 AromaticContact CG-CG 3.52Å; F109-H218 AromaticContact CG-ND1 3.69Å; F109-H218 AromaticContact CG-NE2 3.69Å; F109-H218 HydrophobicContact CZ-CB 3.56Å; F109-H218 AromaticContact CZ-CG 3.98Å; Y214-H218 WeakPolarHBondContact O-CB 3.45Å; Y214-H218 PolarHBondContact O-N 3.06Å; G215-H218 PolarHBondContact O-N 2.94Å; S216-H218 VanDerWaalsContact C-N 3.32Å; S216-H218 PolarHBondContact O-N 2.98Å; H218-A220 PolarHBondContact O-N 3.46Å; H218-A221 PolarHBondContact O-N 3.39Å; H218-K222 PolarHBondContact O-N 2.99Å
219	L	98.9	Very high	98.4	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-41.4	-172.6	-172.7	56.8	0	0	0	112.3	N122 I124 I196 F198 G215 S216 A221 K222 M223	N122-L219 HydrophobicContact CB-CD2 4.41Å; I124-L219 HydrophobicContact CD1-CD1 4.34Å; I124-L219 HydrophobicContact CD1-CD2 4.21Å; I124-L219 HydrophobicContact CG1-CD2 3.99Å; I196-L219 HydrophobicContact CD1-CD2 4.07Å; I196-L219 HydrophobicContact CG2-CD2 3.73Å; F198-L219 HydrophobicContact CD1-CD2 4.39Å; F198-L219 HydrophobicContact CE1-CB 4.33Å; F198-L219 HydrophobicContact CE1-CD2 3.83Å; G215-L219 WeakPolarHBondContact O-CB 3.36Å; G215-L219 PolarHBondContact O-N 2.9Å; S216-L219 PolarHBondContact O-N 3.35Å; L219-A221 VanDerWaalsContact C-N 3.29Å; L219-A221 PolarHBondContact O-N 2.81Å; L219-K222 HydrophobicContact CD1-CD 4.32Å; L219-K222 PolarHBondContact O-N 2.92Å; L219-M223 HydrophobicContact CD1-CG 4.01Å; L219-M223 HydrophobicContact CD1-SD 4.2Å; L219-M223 HydrophobicContact CD2-SD 4.41Å; L219-M223 HydrophobicContact CG-CG 4.21Å; L219-M223 HydrophobicContact CG-SD 3.89Å; L219-M223 WeakPolarHBondContact O-CB 3.44Å; L219-M223 VanDerWaalsContact O-CG 3.3Å; L219-M223 WeakPolarHBondContact O-CG 3.48Å; L219-M223 PolarHBondContact O-N 2.82Å
220	A	98.9	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-37.7	176	0	0	0	0	0	112.2	S216 H218 A224 P309 F310	S216-A220 WeakPolarHBondContact O-CB 3.01Å; S216-A220 PolarHBondContact O-N 2.9Å; H218-A220 PolarHBondContact O-N 3.46Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 2.88Å; A220-P309 HydrophobicContact CB-CB 3.55Å; A220-F310 HydrophobicContact CB-CD1 3.95Å; A220-F310 HydrophobicContact CB-CD2 4.04Å; A220-F310 HydrophobicContact CB-CE1 3.82Å; A220-F310 HydrophobicContact CB-CE2 3.91Å; A220-F310 HydrophobicContact CB-CG 4.06Å; A220-F310 HydrophobicContact CB-CZ 3.8Å
221	A	98.9	Very high	98	Very high	43 Å²	43	36.6 Å²	36.6	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-68.1	-44.7	175.6	0	0	0	0	0	111.6	R217 H218 L219 A224 S225	R217-A221 WeakPolarHBondContact O-CB 3.46Å; R217-A221 PolarHBondContact O-N 2.91Å; H218-A221 PolarHBondContact O-N 3.39Å; L219-A221 VanDerWaalsContact C-N 3.29Å; L219-A221 PolarHBondContact O-N 2.81Å; A221-A224 PolarHBondContact O-N 3.1Å; A221-S225 PolarHBondContact O-N 2.59Å; A221-S225 PolarHBondContact O-OG 3.38Å
222	K	98.9	Very high	97.8	Very high	83 Å²	83	37.5 Å²	37.5	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-57.2	-55.2	174.8	-177.7	-177.8	-178.5	-176.2	0	110.8	D107 H218 L219 A224 S225 T226	D107-K222 WeakPolarHBondContact OD1-CD 3.48Å; D107-K222 IonicContact OD1-NZ 3.85Å; D107-K222 PolarHBondContact OD1-NZ 2.87Å; H218-K222 PolarHBondContact O-N 2.99Å; L219-K222 HydrophobicContact CD1-CD 4.32Å; L219-K222 PolarHBondContact O-N 2.92Å; K222-A224 VanDerWaalsContact C-N 3.27Å; K222-A224 PolarHBondContact O-N 3.36Å; K222-S225 CarbonylContact O-C 3.57Å; K222-S225 WeakPolarHBondContact O-CA 3.47Å; K222-S225 PolarHBondContact O-N 2.97Å; K222-S225 PolarHBondContact O-OG 3.06Å; K222-T226 PolarHBondContact O-N 3.42Å; K222-T226 PolarHBondContact O-OG1 3.42Å
223	M	98.9	Very high	97.4	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.044	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-32.9	179.9	-69.8	179.9	79.5	0	0	113.2	L219 S225 S236 Q237 L238 M241 F310	L219-M223 HydrophobicContact CD1-CG 4.01Å; L219-M223 HydrophobicContact CD1-SD 4.2Å; L219-M223 HydrophobicContact CD2-SD 4.41Å; L219-M223 HydrophobicContact CG-CG 4.21Å; L219-M223 HydrophobicContact CG-SD 3.89Å; L219-M223 WeakPolarHBondContact O-CB 3.44Å; L219-M223 VanDerWaalsContact O-CG 3.3Å; L219-M223 WeakPolarHBondContact O-CG 3.48Å; L219-M223 PolarHBondContact O-N 2.82Å; M223-S225 PolarHBondContact O-N 2.87Å; M223-S236 WeakPolarHBondContact O-CB 3.42Å; M223-Q237 HydrophobicContact CB-CB 3.91Å; M223-Q237 HydrophobicContact CE-CB 3.92Å; M223-Q237 HydrophobicContact CG-CB 4.2Å; M223-Q237 PolarHBondContact O-N 2.8Å; M223-L238 HydrophobicContact CB-CD2 3.67Å; M223-L238 HydrophobicContact CB-CG 4.04Å; M223-L238 HydrophobicContact SD-CD2 4.45Å; M223-M241 HydrophobicContact CE-CG 3.95Å; M223-M241 HydrophobicContact CE-SD 3.62Å; M223-M241 HydrophobicContact SD-SD 4.24Å; M223-F310 HydrophobicContact SD-CE1 3.91Å
224	A	98.8	Very high	97.2	Very high	38 Å²	38	52.4 Å²	52.4	31%	0.314	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-32.7	174.5	0	0	0	0	0	112.3	A220 A221 K222 S236 L238	A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.37Å; A220-A224 PolarHBondContact O-N 2.88Å; A221-A224 PolarHBondContact O-N 3.1Å; K222-A224 VanDerWaalsContact C-N 3.27Å; K222-A224 PolarHBondContact O-N 3.36Å; A224-S236 WeakPolarHBondContact O-CB 3.44Å; A224-S236 PolarHBondContact O-OG 3.44Å; A224-L238 HydrophobicContact CB-CD1 3.6Å; A224-L238 HydrophobicContact CB-CG 4.22Å
225	S	98.5	Very high	97.1	Very high	92 Å²	92	53.5 Å²	53.5	64%	0.643	33%	0.326	S	S	*	.	H	α-helix	trans	-92.9	-13.3	-177.5	69.5	0	0	0	0	114.7	A221 K222 M223 P227	A221-S225 PolarHBondContact O-N 2.59Å; A221-S225 PolarHBondContact O-OG 3.38Å; K222-S225 CarbonylContact O-C 3.57Å; K222-S225 WeakPolarHBondContact O-CA 3.47Å; K222-S225 PolarHBondContact O-N 2.97Å; K222-S225 PolarHBondContact O-OG 3.06Å; M223-S225 PolarHBondContact O-N 2.87Å; S225-P227 WeakPolarHBondContact O-CD 3.39Å
226	T	98.6	Very high	97.1	Very high	42 Å²	42	54 Å²	54	26%	0.258	33%	0.33	S	S	.	.	S	Bend	trans	-87.7	118.7	179.4	-55.1	0	0	0	0	110.7	K222 S236 Q237	K222-T226 PolarHBondContact O-N 3.42Å; K222-T226 PolarHBondContact O-OG1 3.42Å; T226-S236 CarbonylContact O-C 3.45Å; T226-S236 WeakPolarHBondContact O-CA 3.46Å; T226-S236 WeakPolarHBondContact O-CB 3.35Å; T226-Q237 VanDerWaalsContact CB-OE1 3.24Å; T226-Q237 HydrophobicContact CG2-CG 3.95Å; T226-Q237 PolarHBondContact O-N 3.02Å; T226-Q237 PolarHBondContact OG1-OE1 3.37Å
227	P	98.3	Very high	97.1	Very high	74 Å²	74	56.5 Å²	56.5	48%	0.481	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-60.2	137	175.8	-23.7	34.7	0	0	0	112.5	S225 T235	S225-P227 WeakPolarHBondContact O-CD 3.39Å; P227-T235 WeakPolarHBondContact CA-O 3.38Å
228	H	96.9	Very high	97.1	Very high	11 Å²	11	53.2 Å²	53.2	5%	0.051	33%	0.329	C	S	.	.	S	Bend	trans	-144.9	134.5	177.9	-166.9	64.7	0	0	0	111.9	P129 A131 K132 T235 S236 Q237	P129-H228 PolarHBondContact O-CE1 2.88Å; A131-H228 PolarHBondContact O-CE1 3.01Å; A131-H228 VanDerWaalsContact O-CE1 3.27Å; A131-H228 PolarHBondContact O-NE2 3.38Å; K132-H228 PolarHBondContact O-CD2 2.87Å; K132-H228 VanDerWaalsContact O-CD2 3.29Å; K132-H228 PolarHBondContact O-NE2 2.7Å; H228-T235 PolarHBondContact N-O 3.07Å; H228-T235 VanDerWaalsContact O-CB 3.31Å; H228-T235 WeakPolarHBondContact O-CB 3.23Å; H228-T235 PolarHBondContact O-OG1 2.99Å; H228-S236 VanDerWaalsContact CB-C 3.45Å; H228-Q237 HydrophobicContact CB-CB 4.31Å; H228-Q237 HydrophobicContact CB-CG 3.82Å
229	P	95.4	Very high	97	Very high	30 Å²	30	54 Å²	54	20%	0.195	33%	0.333	C	S	.	.	S	Bend	cis	-63.2	170.7	-8.6	29.8	-37.1	0	0	0	112.4	K132 G231 A232	K132-P229 HydrophobicContact CG-CG 4.18Å; P229-G231 PolarHBondContact O-N 2.99Å; P229-A232 WeakPolarHBondContact O-CB 3.36Å; P229-A232 PolarHBondContact O-N 3.49Å
230	P	93.4	Very high	97	Very high	97 Å²	97	53.9 Å²	53.9	63%	0.63	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	129.7	179.2	-29.2	36	0	0	0	112.8	T130	T130-P230 HydrophobicContact CG2-CG 4.38Å
231	G	93.4	Very high	97	Very high	77 Å²	77	54 Å²	54	79%	0.794	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-0.4	-177.1	0	0	0	0	0	115.4	P229	P229-G231 PolarHBondContact O-N 2.99Å
232	A	94.1	Very high	97	Very high	26 Å²	26	52 Å²	52	22%	0.215	32%	0.317	C	S	.	.			trans	-64.1	143.6	176.4	0	0	0	0	0	112.6	P229 T235	P229-A232 WeakPolarHBondContact O-CB 3.36Å; P229-A232 PolarHBondContact O-N 3.49Å; A232-T235 WeakPolarHBondContact CB-OG1 3.48Å
233	R	90.8	Very high	97	Very high	251 Å²	251	48.1 Å²	48.1	95%	0.947	30%	0.3	S	S	*	.	S	Bend	trans	-111.7	100.9	173.1	-62.7	-176.8	-65.8	177.6	-0.1	107.9
234	G	93.3	Very high	97	Very high	74 Å²	74	47.7 Å²	47.7	76%	0.763	30%	0.298	S	S	*	.	S	Bend	trans	108	3.3	174	0	0	0	0	0	116.4
235	T	97.6	Very high	97	Very high	27 Å²	27	45.9 Å²	45.9	17%	0.166	28%	0.283	C	S	.	.			trans	-126.7	150.7	170.3	51.2	0	0	0	0	110.5	W36 P37 P227 H228 A232	W36-T235 HydrophobicContact CZ2-CG2 3.92Å; P37-T235 HydrophobicContact CG-CG2 3.94Å; P227-T235 WeakPolarHBondContact CA-O 3.38Å; H228-T235 PolarHBondContact N-O 3.07Å; H228-T235 VanDerWaalsContact O-CB 3.31Å; H228-T235 WeakPolarHBondContact O-CB 3.23Å; H228-T235 PolarHBondContact O-OG1 2.99Å; A232-T235 WeakPolarHBondContact CB-OG1 3.48Å
236	S	98.4	Very high	97	Very high	11 Å²	11	41.5 Å²	41.5	8%	0.077	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-127.8	170.9	-176.9	69.2	0	0	0	0	111.5	M223 A224 T226 H228 L238 H239 G240	M223-S236 WeakPolarHBondContact O-CB 3.42Å; A224-S236 WeakPolarHBondContact O-CB 3.44Å; A224-S236 PolarHBondContact O-OG 3.44Å; T226-S236 CarbonylContact O-C 3.45Å; T226-S236 WeakPolarHBondContact O-CA 3.46Å; T226-S236 WeakPolarHBondContact O-CB 3.35Å; H228-S236 VanDerWaalsContact CB-C 3.45Å; S236-L238 PolarHBondContact O-N 3.11Å; S236-H239 PolarHBondContact N-ND1 3.48Å; S236-H239 WeakPolarHBondContact O-CB 3.43Å; S236-H239 PolarHBondContact O-N 3.25Å; S236-H239 PolarHBondContact OG-CE1 3.29Å; S236-H239 PolarHBondContact OG-ND1 3.4Å; S236-G240 PolarHBondContact O-N 3.36Å
237	Q	98.7	Very high	97	Very high	52 Å²	52	39.6 Å²	39.6	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-33.8	179	-69	177.6	-47.1	0	0	112.3	M223 T226 H228 H239 G240 M241	M223-Q237 HydrophobicContact CB-CB 3.91Å; M223-Q237 HydrophobicContact CE-CB 3.92Å; M223-Q237 HydrophobicContact CG-CB 4.2Å; M223-Q237 PolarHBondContact O-N 2.8Å; T226-Q237 VanDerWaalsContact CB-OE1 3.24Å; T226-Q237 HydrophobicContact CG2-CG 3.95Å; T226-Q237 PolarHBondContact O-N 3.02Å; T226-Q237 PolarHBondContact OG1-OE1 3.37Å; H228-Q237 HydrophobicContact CB-CB 4.31Å; H228-Q237 HydrophobicContact CB-CG 3.82Å; Q237-H239 VanDerWaalsContact C-N 3.29Å; Q237-H239 PolarHBondContact O-N 3.4Å; Q237-G240 CarbonylContact O-C 3.56Å; Q237-G240 WeakPolarHBondContact O-CA 3.41Å; Q237-G240 PolarHBondContact O-N 3.37Å; Q237-M241 PolarHBondContact O-N 3.13Å
238	L	98.7	Very high	97.1	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-31.9	174.4	-65.4	-169.7	0	0	0	113.7	M223 A224 S236 G240 M241 F310 R313 V315	M223-L238 HydrophobicContact CB-CD2 3.67Å; M223-L238 HydrophobicContact CB-CG 4.04Å; M223-L238 HydrophobicContact SD-CD2 4.45Å; A224-L238 HydrophobicContact CB-CD1 3.6Å; A224-L238 HydrophobicContact CB-CG 4.22Å; S236-L238 PolarHBondContact O-N 3.11Å; L238-G240 PolarHBondContact O-N 3.1Å; L238-M241 HydrophobicContact CD2-SD 3.52Å; L238-M241 VanDerWaalsContact CD2-SD 3.52Å; L238-M241 PolarHBondContact O-N 3.11Å; L238-F310 HydrophobicContact CD2-CD1 3.68Å; L238-F310 HydrophobicContact CD2-CE1 3.93Å; L238-R313 HydrophobicContact CD1-CB 3.66Å; L238-R313 VanDerWaalsContact CD1-CD 3.46Å; L238-R313 HydrophobicContact CD1-CG 4.19Å; L238-V315 HydrophobicContact CB-CG2 4.22Å; L238-V315 HydrophobicContact CD2-CG2 4.07Å
239	H	98.5	Very high	97.2	Very high	80 Å²	80	36.1 Å²	36.1	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-66.3	-30.5	175.4	-63.7	89.3	0	0	0	111.3	W36 P37 K40 S236 Q237	W36-H239 HydrophobicContact CH2-CB 4.16Å; W36-H239 HydrophobicContact CZ2-CB 4.49Å; P37-H239 HydrophobicContact CB-CB 4.28Å; P37-H239 HydrophobicContact CG-CB 4.44Å; K40-H239 PolarHBondContact NZ-O 2.99Å; S236-H239 PolarHBondContact N-ND1 3.48Å; S236-H239 WeakPolarHBondContact O-CB 3.43Å; S236-H239 PolarHBondContact O-N 3.25Å; S236-H239 PolarHBondContact OG-CE1 3.29Å; S236-H239 PolarHBondContact OG-ND1 3.4Å; Q237-H239 VanDerWaalsContact C-N 3.29Å; Q237-H239 PolarHBondContact O-N 3.4Å
240	G	98.2	Very high	97.3	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-79.5	-10.7	174.5	0	0	0	0	0	115.4	K132 R133 H134 S236 Q237 L238 D242	K132-G240 WeakPolarHBondContact O-CA 3.4Å; R133-G240 CarbonylContact C-O 3.59Å; R133-G240 VanDerWaalsContact CA-O 3.28Å; R133-G240 WeakPolarHBondContact CA-O 3.47Å; H134-G240 PolarHBondContact N-O 3.44Å; S236-G240 PolarHBondContact O-N 3.36Å; Q237-G240 CarbonylContact O-C 3.56Å; Q237-G240 WeakPolarHBondContact O-CA 3.41Å; Q237-G240 PolarHBondContact O-N 3.37Å; L238-G240 PolarHBondContact O-N 3.1Å; G240-D242 PolarHBondContact O-N 3.25Å
241	M	98.8	Very high	97.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	109.8	170.3	-62.6	-177.8	79.2	0	0	108.8	K40 V136 M223 Q237 L238 L244 F310 V315	K40-M241 PolarHBondContact NZ-O 3.22Å; K40-M241 VanDerWaalsContact NZ-O 3.09Å; V136-M241 HydrophobicContact CB-CE 4.01Å; V136-M241 HydrophobicContact CG1-CE 4Å; V136-M241 HydrophobicContact CG2-CB 4.49Å; V136-M241 HydrophobicContact CG2-CE 3.74Å; V136-M241 HydrophobicContact CG2-CG 4.13Å; M223-M241 HydrophobicContact CE-CG 3.95Å; M223-M241 HydrophobicContact CE-SD 3.62Å; M223-M241 HydrophobicContact SD-SD 4.24Å; Q237-M241 PolarHBondContact O-N 3.13Å; L238-M241 HydrophobicContact CD2-SD 3.52Å; L238-M241 VanDerWaalsContact CD2-SD 3.52Å; L238-M241 PolarHBondContact O-N 3.11Å; M241-L244 HydrophobicContact CE-CB 4.21Å; M241-L244 HydrophobicContact CE-CD1 4.24Å; M241-L244 HydrophobicContact CE-CD2 4.41Å; M241-F310 HydrophobicContact CE-CD1 3.81Å; M241-F310 HydrophobicContact CE-CE1 3.88Å; M241-F310 HydrophobicContact SD-CD1 3.62Å; M241-F310 HydrophobicContact SD-CE1 3.76Å; M241-V315 HydrophobicContact CB-CG1 3.84Å; M241-V315 HydrophobicContact CB-CG2 4.36Å; M241-V315 HydrophobicContact CE-CG1 4.35Å; M241-V315 HydrophobicContact SD-CG1 4.34Å; M241-V315 HydrophobicContact SD-CG2 4.19Å
242	D	98.8	Very high	97.8	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-46.1	-176.8	-117.2	48.3	0	0	0	111	K40 R133 H134 L191 G240 Y358	K40-D242 HydrophobicContact CB-CB 4.34Å; K40-D242 WeakPolarHBondContact CB-OD1 3.48Å; R133-D242 WeakPolarHBondContact CB-OD1 3.34Å; R133-D242 VanDerWaalsContact CG-OD1 3.26Å; R133-D242 WeakPolarHBondContact CG-OD1 3.5Å; R133-D242 IonicContact CZ-OD1 3.91Å; R133-D242 IonicContact CZ-OD2 3.82Å; R133-D242 VanDerWaalsContact NE-CG 3.35Å; R133-D242 IonicContact NE-OD1 3.07Å; R133-D242 PolarHBondContact NE-OD1 3.32Å; R133-D242 IonicContact NE-OD2 2.99Å; R133-D242 PolarHBondContact NE-OD2 3.39Å; R133-D242 IonicContact NH2-OD1 3.49Å; R133-D242 IonicContact NH2-OD2 3.7Å; R133-D242 PolarHBondContact NH2-OD2 3.2Å; H134-D242 WeakPolarHBondContact O-CB 3.27Å; H134-D242 PolarHBondContact O-N 3.47Å; L191-D242 HydrophobicContact CD1-CB 4.24Å; G240-D242 PolarHBondContact O-N 3.25Å; D242-Y358 HydrophobicContact CB-CE1 4.39Å; D242-Y358 WeakPolarHBondContact CB-OH 3.36Å; D242-Y358 PolarHBondContact OD2-OH 2.97Å
243	L	98.9	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	133	176.2	-179	67.9	0	0	0	107.4	L135 V136 V245 W267 P316 L318 F354 Y358	L135-L243 HydrophobicContact CD1-CB 3.9Å; L135-L243 HydrophobicContact CD1-CD2 4.15Å; L135-L243 HydrophobicContact CD1-CG 4.38Å; V136-L243 PolarHBondContact N-O 3.46Å; L243-V245 HydrophobicContact CD2-CG2 3.82Å; L243-V245 HydrophobicContact CG-CG2 4.04Å; L243-W267 HydrophobicContact CD2-CB 4.13Å; L243-W267 HydrophobicContact CD2-CG 3.92Å; L243-P316 HydrophobicContact CD1-CB 3.98Å; L243-L318 HydrophobicContact CD1-CB 4.07Å; L243-L318 HydrophobicContact CD2-CB 4.2Å; L243-L318 HydrophobicContact CD2-CD2 4.24Å; L243-L318 HydrophobicContact CG-CB 4.28Å; L243-F354 HydrophobicContact CD2-CE1 4.39Å; L243-F354 HydrophobicContact CD2-CZ 3.95Å; L243-Y358 HydrophobicContact CB-CE2 4.41Å; L243-Y358 HydrophobicContact CD2-CE2 4.07Å
244	L	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.6	167	175.4	58.1	0	0	0	108.6	V136 A138 M241 H307 F310 V315 P316 I317 L318	V136-L244 HydrophobicContact CB-CD1 4.1Å; V136-L244 HydrophobicContact CG1-CD1 3.68Å; A138-L244 HydrophobicContact CB-CD1 3.73Å; M241-L244 HydrophobicContact CE-CB 4.21Å; M241-L244 HydrophobicContact CE-CD1 4.24Å; M241-L244 HydrophobicContact CE-CD2 4.41Å; L244-H307 HydrophobicContact CD2-CB 4.4Å; L244-F310 HydrophobicContact CD2-CB 3.96Å; L244-F310 HydrophobicContact CD2-CD1 4.46Å; L244-F310 HydrophobicContact CD2-CD2 3.84Å; L244-F310 HydrophobicContact CD2-CE2 4.46Å; L244-F310 HydrophobicContact CD2-CG 3.84Å; L244-V315 HydrophobicContact CB-CG1 4.07Å; L244-P316 PolarHBondContact N-O 2.89Å; L244-I317 HydrophobicContact CB-CD1 3.78Å; L244-I317 HydrophobicContact CD2-CD1 3.86Å; L244-I317 HydrophobicContact CG-CD1 4.2Å; L244-I317 CarbonylContact O-C 3.58Å; L244-I317 WeakPolarHBondContact O-CA 3.44Å; L244-L318 PolarHBondContact O-N 2.8Å
245	V	98.9	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	104.8	171.1	-172.3	0	0	0	0	107.5	L135 V136 L137 A138 L243 L247 L318 L320 L351 F354	L135-V245 HydrophobicContact CD1-CG2 3.97Å; V136-V245 PolarHBondContact O-N 3.28Å; L137-V245 CarbonylContact C-O 3.59Å; L137-V245 WeakPolarHBondContact CA-O 3.45Å; L137-V245 HydrophobicContact CD2-CB 3.63Å; L137-V245 HydrophobicContact CD2-CG1 4.14Å; L137-V245 HydrophobicContact CD2-CG2 3.92Å; A138-V245 PolarHBondContact N-O 3Å; L243-V245 HydrophobicContact CD2-CG2 3.82Å; L243-V245 HydrophobicContact CG-CG2 4.04Å; V245-L247 HydrophobicContact CG1-CD1 4.15Å; V245-L318 VanDerWaalsContact CA-O 3.32Å; V245-L318 WeakPolarHBondContact CA-O 3.41Å; V245-L318 HydrophobicContact CG1-CD2 4.39Å; V245-L318 HydrophobicContact CG2-CB 4.27Å; V245-L318 HydrophobicContact CG2-CD2 4.24Å; V245-L320 HydrophobicContact CG1-CD1 3.67Å; V245-L320 HydrophobicContact CG1-CG 3.97Å; V245-L351 HydrophobicContact CG1-CD1 4.4Å; V245-F354 HydrophobicContact CG2-CE1 4.09Å
246	L	98.9	Very high	98.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.6	-178.6	177.9	59.8	0	0	0	109.3	A138 D305 D306 H307 L318 L320	A138-L246 HydrophobicContact CB-CD1 4.11Å; A138-L246 WeakPolarHBondContact O-CA 3.38Å; L246-D305 HydrophobicContact CD2-CB 4.34Å; L246-D305 WeakPolarHBondContact CD2-OD2 3.49Å; L246-D306 HydrophobicContact CD1-CB 4.27Å; L246-D306 HydrophobicContact CD2-CB 4Å; L246-H307 HydrophobicContact CD2-CB 3.64Å; L246-H307 VanDerWaalsContact CD2-N 3.3Å; L246-L318 PolarHBondContact N-O 2.88Å; L246-L320 WeakPolarHBondContact O-CA 3.22Å; L246-L320 WeakPolarHBondContact O-CB 3.49Å; L246-L320 PolarHBondContact O-N 3.46Å
247	L	98.9	Very high	98.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.8	177.1	-68.8	78.7	0	0	0	108.8	A138 C139 P163 M166 V245 I250 L351	A138-L247 PolarHBondContact O-N 2.75Å; C139-L247 VanDerWaalsContact CB-O 3.3Å; C139-L247 WeakPolarHBondContact CB-O 3.47Å; P163-L247 HydrophobicContact CB-CB 3.84Å; P163-L247 HydrophobicContact CG-CB 4.37Å; M166-L247 HydrophobicContact CB-CD2 4.46Å; M166-L247 HydrophobicContact CE-CD2 4.05Å; M166-L247 HydrophobicContact SD-CD2 4.37Å; V245-L247 HydrophobicContact CG1-CD1 4.15Å; L247-I250 HydrophobicContact CB-CD1 4Å; L247-I250 HydrophobicContact CD2-CD1 4.13Å; L247-I250 HydrophobicContact CG-CD1 4.12Å; L247-L351 HydrophobicContact CD2-CD2 3.81Å
248	D	98.9	Very high	98.6	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.053	10%	0.097	C	C	.	.			trans	-151.9	148.3	178.2	-171.9	23.2	0	0	0	111.3	H140 S160 I250 L320 I321 P322	H140-D248 IonicContact CD2-OD1 3.28Å; H140-D248 IonicContact NE2-OD1 2.75Å; H140-D248 PolarHBondContact NE2-OD1 2.68Å; S160-D248 PolarHBondContact OG-OD1 3.35Å; D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 WeakPolarHBondContact O-CG1 3.25Å; D248-I250 PolarHBondContact O-N 3.1Å; D248-L320 PolarHBondContact N-O 3.36Å; D248-I321 HydrophobicContact CB-CB 4.36Å; D248-I321 HydrophobicContact CB-CD1 4.14Å; D248-I321 HydrophobicContact CB-CG1 4.14Å; D248-I321 VanDerWaalsContact OD2-CD1 3.25Å; D248-I321 WeakPolarHBondContact OD2-CD1 3.44Å; D248-P322 WeakPolarHBondContact O-CD 3Å
249	L	98.8	Very high	98.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.102	C	C	.	.	S	Bend	trans	51.3	39.6	179.8	-50.1	-173.5	0	0	0	114.3	T158 D159 I321 P322 F325 P326 W329	T158-L249 CarbonylContact O-C 3.57Å; T158-L249 VanDerWaalsContact O-CA 3.25Å; T158-L249 WeakPolarHBondContact O-CA 3.28Å; T158-L249 PolarHBondContact O-N 3.44Å; D159-L249 HydrophobicContact CB-CD2 3.53Å; L249-I321 HydrophobicContact CB-CG1 4.21Å; L249-I321 HydrophobicContact CD1-CD1 3.94Å; L249-I321 HydrophobicContact CD1-CG1 4.15Å; L249-I321 HydrophobicContact CG-CD1 4.13Å; L249-I321 HydrophobicContact CG-CG1 4.15Å; L249-P322 HydrophobicContact CB-CG 4.2Å; L249-P322 WeakPolarHBondContact O-CG 3.35Å; L249-F325 HydrophobicContact CD1-CB 3.91Å; L249-F325 HydrophobicContact CD1-CD1 3.59Å; L249-F325 HydrophobicContact CD1-CD2 3.71Å; L249-F325 HydrophobicContact CD1-CE1 3.94Å; L249-F325 HydrophobicContact CD1-CE2 4.04Å; L249-F325 HydrophobicContact CD1-CG 3.47Å; L249-F325 VanDerWaalsContact CD1-CG 3.47Å; L249-F325 HydrophobicContact CD1-CZ 4.15Å; L249-P326 HydrophobicContact CB-CG 4.07Å; L249-W329 HydrophobicContact CD1-CG 4.31Å
250	I	98.9	Very high	98.5	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.015	9%	0.091	C	C	.	.			trans	-97.1	134.3	179.7	-58.6	-175.9	0	0	0	109.8	T158 V162 P163 M166 L247 D248 F257 L320 L347	T158-I250 WeakPolarHBondContact CA-O 3.41Å; T158-I250 PolarHBondContact O-N 3.42Å; V162-I250 WeakPolarHBondContact CB-O 3.35Å; V162-I250 HydrophobicContact CG1-CG2 4.28Å; V162-I250 WeakPolarHBondContact CG1-O 3.31Å; P163-I250 HydrophobicContact CG-CB 4.16Å; M166-I250 HydrophobicContact CE-CG2 4.38Å; M166-I250 HydrophobicContact SD-CB 4.36Å; M166-I250 HydrophobicContact SD-CD1 4.49Å; M166-I250 HydrophobicContact SD-CG2 3.71Å; L247-I250 HydrophobicContact CB-CD1 4Å; L247-I250 HydrophobicContact CD2-CD1 4.13Å; L247-I250 HydrophobicContact CG-CD1 4.12Å; D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 WeakPolarHBondContact O-CG1 3.25Å; D248-I250 PolarHBondContact O-N 3.1Å; I250-F257 HydrophobicContact CD1-CE1 4.24Å; I250-F257 HydrophobicContact CD1-CZ 4.1Å; I250-F257 HydrophobicContact CG1-CE1 4.14Å; I250-F257 HydrophobicContact CG1-CZ 4.03Å; I250-L320 HydrophobicContact CD1-CB 4.49Å; I250-L347 HydrophobicContact CG2-CD1 3.49Å; I250-L347 VanDerWaalsContact CG2-CD1 3.49Å
251	G	98.7	Very high	98.5	Very high	1 Å²	1	18 Å²	18	1%	0.01	10%	0.098	C	C	.	.			trans	140.6	-17.8	169.7	0	0	0	0	0	114.1	L339 D340	G251-L339 WeakPolarHBondContact O-CA 3.36Å; G251-D340 PolarHBondContact O-N 2.85Å
252	A	98.7	Very high	98.4	Very high	15 Å²	15	23.6 Å²	23.6	12%	0.124	14%	0.137	C	C	.	.	S	Bend	trans	-72.6	156.6	170.7	0	0	0	0	0	111.9	T158 P326	T158-A252 HydrophobicContact CG2-CB 4.42Å; A252-P326 HydrophobicContact CB-CB 3.73Å; A252-P326 HydrophobicContact CB-CG 3.89Å
253	P	98.3	Very high	98.3	Very high	66 Å²	66	27.6 Å²	27.6	43%	0.429	16%	0.159	S	C	.	.	S	Bend	trans	-69.5	148.8	178.7	28.9	-36.5	0	0	0	112.6	D340	P253-D340 HydrophobicContact CB-CB 3.9Å
254	N	97.4	Very high	98.3	Very high	90 Å²	90	27.7 Å²	27.7	48%	0.481	16%	0.159	S	C	.	.	S	Bend	trans	54.9	47.5	176.3	-43.8	-83.6	0	0	0	115.3
255	P	98.4	Very high	98.2	Very high	11 Å²	11	28.5 Å²	28.5	7%	0.071	17%	0.166	C	C	.	.			trans	-65.6	144.6	177.9	30.1	-34.9	0	0	0	110.6	F257 Y293 P322 T343 L347	P255-F257 HydrophobicContact CB-CE2 3.94Å; P255-F257 HydrophobicContact CB-CZ 4.03Å; P255-F257 HydrophobicContact CG-CE2 4Å; P255-F257 HydrophobicContact CG-CZ 4.36Å; P255-Y293 HydrophobicContact CG-CD1 3.8Å; P255-Y293 HydrophobicContact CG-CE1 4.34Å; P255-Y293 HydrophobicContact CG-CG 4.39Å; P255-Y293 WeakPolarHBondContact O-CA 3.08Å; P255-P322 HydrophobicContact CB-CB 4.01Å; P255-T343 HydrophobicContact CG-CG2 3.66Å; P255-L347 HydrophobicContact CG-CD1 4.31Å
256	M	98.3	Very high	98.2	Very high	70 Å²	70	31.8 Å²	31.8	35%	0.345	18%	0.178	S	C	.	.			trans	-121.5	107.5	174.6	-71.7	-171.5	-64.1	0	0	109.6	P258 Y293 Q295 P322 S323	M256-P258 WeakPolarHBondContact O-CD 3.34Å; M256-Y293 CarbonylContact C-O 3.56Å; M256-Y293 WeakPolarHBondContact CA-O 3.37Å; M256-Q295 HydrophobicContact CB-CG 3.97Å; M256-Q295 HydrophobicContact CG-CG 4.09Å; M256-Q295 HydrophobicContact SD-CG 4.44Å; M256-P322 CarbonylContact O-C 3.57Å; M256-P322 VanDerWaalsContact O-CA 3.29Å; M256-P322 WeakPolarHBondContact O-CA 3.33Å; M256-S323 PolarHBondContact O-N 3.36Å
257	F	98.6	Very high	98.2	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.4	177.3	-59.9	-76.7	0	0	0	110.1	I250 P255 F268 Y293 F294 Q295 L320 I321 P322 L347	I250-F257 HydrophobicContact CD1-CE1 4.24Å; I250-F257 HydrophobicContact CD1-CZ 4.1Å; I250-F257 HydrophobicContact CG1-CE1 4.14Å; I250-F257 HydrophobicContact CG1-CZ 4.03Å; P255-F257 HydrophobicContact CB-CE2 3.94Å; P255-F257 HydrophobicContact CB-CZ 4.03Å; P255-F257 HydrophobicContact CG-CE2 4Å; P255-F257 HydrophobicContact CG-CZ 4.36Å; F257-F268 HydrophobicContact CB-CE2 4.16Å; F257-F268 VanDerWaalsContact O-CZ 3.24Å; F257-F268 WeakPolarHBondContact O-CZ 3.38Å; F257-Y293 PolarHBondContact N-O 3.27Å; F257-F294 HydrophobicContact CB-CD1 3.86Å; F257-F294 HydrophobicContact CB-CE1 4.11Å; F257-F294 HydrophobicContact CD2-CD1 4.07Å; F257-F294 AromaticContact CD2-CE1 3.77Å; F257-F294 HydrophobicContact CD2-CE1 3.77Å; F257-F294 HydrophobicContact CD2-CZ 4.19Å; F257-F294 HydrophobicContact CE2-CE1 4.49Å; F257-F294 HydrophobicContact CG-CD1 4.25Å; F257-F294 HydrophobicContact CG-CE1 4.04Å; F257-Q295 PolarHBondContact O-N 2.88Å; F257-Q295 VanDerWaalsContact O-N 3.09Å; F257-L320 HydrophobicContact CD1-CB 4.31Å; F257-L320 HydrophobicContact CE1-CB 4.28Å; F257-I321 VanDerWaalsContact CD1-C 3.47Å; F257-P322 HydrophobicContact CE1-CB 4.43Å; F257-L347 HydrophobicContact CE2-CD1 4.12Å; F257-L347 HydrophobicContact CE2-CD2 3.87Å; F257-L347 HydrophobicContact CZ-CD1 4.16Å
258	P	98.1	Very high	98.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	157.3	170.5	-14.3	29.6	0	0	0	113.1	M256 F260 F268 Y297 Y299	M256-P258 WeakPolarHBondContact O-CD 3.34Å; P258-F260 HydrophobicContact CB-CD2 4.36Å; P258-F260 HydrophobicContact CB-CE1 4.21Å; P258-F260 HydrophobicContact CB-CE2 4.03Å; P258-F260 HydrophobicContact CB-CZ 3.94Å; P258-F260 HydrophobicContact CG-CE1 4.08Å; P258-F260 HydrophobicContact CG-CE2 3.93Å; P258-F260 HydrophobicContact CG-CZ 3.55Å; P258-F260 VanDerWaalsContact O-CD2 3.32Å; P258-F260 WeakPolarHBondContact O-CD2 3.43Å; P258-F260 PolarHBondContact O-N 2.91Å; P258-F268 VanDerWaalsContact C-CE2 3.49Å; P258-F268 WeakPolarHBondContact O-CE2 3.33Å; P258-Y297 HydrophobicContact CB-CD2 4.19Å; P258-Y297 HydrophobicContact CB-CE2 3.64Å; P258-Y297 HydrophobicContact CG-CE2 3.7Å; P258-Y299 HydrophobicContact CG-CD2 4.42Å
259	N	97.9	Very high	98.2	Very high	31 Å²	31	37 Å²	37	17%	0.166	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	96.1	165	-172.7	-4.5	0	0	0	110.4	A265 F268 Y297 S298	N259-A265 WeakPolarHBondContact ND2-CB 3.43Å; N259-F268 HydrophobicContact CB-CD1 3.71Å; N259-F268 HydrophobicContact CB-CD2 4.25Å; N259-F268 HydrophobicContact CB-CE1 3.89Å; N259-F268 HydrophobicContact CB-CE2 4.4Å; N259-F268 HydrophobicContact CB-CG 3.91Å; N259-F268 HydrophobicContact CB-CZ 4.23Å; N259-Y297 PolarHBondContact N-O 3.35Å; N259-S298 WeakPolarHBondContact O-CA 3.37Å; N259-S298 WeakPolarHBondContact O-CB 3.32Å
260	F	97.7	Very high	98.2	Very high	31 Å²	31	38.7 Å²	38.7	14%	0.136	21%	0.208	C	C	.	.			trans	-76.3	-38.9	-172.4	-68	-82.1	0	0	0	114.9	P258 Y299 I303 H319 I321	P258-F260 HydrophobicContact CB-CD2 4.36Å; P258-F260 HydrophobicContact CB-CE1 4.21Å; P258-F260 HydrophobicContact CB-CE2 4.03Å; P258-F260 HydrophobicContact CB-CZ 3.94Å; P258-F260 HydrophobicContact CG-CE1 4.08Å; P258-F260 HydrophobicContact CG-CE2 3.93Å; P258-F260 HydrophobicContact CG-CZ 3.55Å; P258-F260 VanDerWaalsContact O-CD2 3.32Å; P258-F260 WeakPolarHBondContact O-CD2 3.43Å; P258-F260 PolarHBondContact O-N 2.91Å; F260-Y299 HydrophobicContact CD1-CD1 4.07Å; F260-Y299 HydrophobicContact CD1-CG 4.1Å; F260-Y299 AromaticContact CE1-CD1 3.72Å; F260-Y299 HydrophobicContact CE1-CD1 3.72Å; F260-Y299 HydrophobicContact CE1-CD2 4.38Å; F260-Y299 AromaticContact CE1-CG 3.64Å; F260-Y299 HydrophobicContact CE1-CG 3.64Å; F260-I303 HydrophobicContact CE1-CD1 3.67Å; F260-I303 HydrophobicContact CE1-CG1 4.34Å; F260-I303 HydrophobicContact CZ-CD1 3.75Å; F260-H319 HydrophobicContact CD2-CB 3.93Å; F260-H319 WeakPolarHBondContact CD2-O 3.35Å; F260-H319 HydrophobicContact CE2-CB 4.31Å; F260-H319 WeakPolarHBondContact CE2-O 3.48Å; F260-I321 HydrophobicContact CE2-CG2 3.81Å; F260-I321 HydrophobicContact CZ-CG2 3.67Å
261	F	97.4	Very high	98.2	Very high	41 Å²	41	38.6 Å²	38.6	18%	0.18	21%	0.208	C	C	.	.			trans	-129	128.2	-165.9	-52.8	-71.2	0	0	0	112.6	N263 S264 A265 H307 L311 I317 H319	F261-N263 VanDerWaalsContact C-N 3.29Å; F261-N263 WeakPolarHBondContact CB-OD1 3.22Å; F261-N263 PolarHBondContact O-N 3.44Å; F261-S264 PolarHBondContact O-N 3.49Å; F261-S264 PolarHBondContact O-OG 3.34Å; F261-A265 PolarHBondContact O-N 2.96Å; F261-H307 AromaticContact CZ-CD2 3.92Å; F261-H307 AromaticContact CZ-NE2 3.67Å; F261-L311 HydrophobicContact CD1-CD1 4.29Å; F261-L311 HydrophobicContact CE1-CD1 4.11Å; F261-L311 HydrophobicContact CE1-CD2 3.59Å; F261-L311 HydrophobicContact CZ-CD1 4.48Å; F261-L311 HydrophobicContact CZ-CD2 3.81Å; F261-I317 HydrophobicContact CD2-CB 3.86Å; F261-I317 HydrophobicContact CD2-CG2 4.14Å; F261-I317 WeakPolarHBondContact CD2-O 3.33Å; F261-I317 HydrophobicContact CE2-CB 3.77Å; F261-I317 HydrophobicContact CE2-CG2 3.69Å; F261-H319 HydrophobicContact CE2-CB 4.07Å
262	S	96.5	Very high	98.2	Very high	119 Å²	119	40 Å²	40	83%	0.832	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.5	-178.9	56.7	0	0	0	0	113.8	S264 A265	S262-S264 VanDerWaalsContact C-N 3.27Å; S262-S264 PolarHBondContact O-N 3.39Å; S262-A265 PolarHBondContact O-N 3.21Å
263	N	97.1	Very high	98.2	Very high	87 Å²	87	40.6 Å²	40.6	47%	0.465	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.5	-179.8	67	-13.5	0	0	0	113.9	F261	F261-N263 VanDerWaalsContact C-N 3.29Å; F261-N263 WeakPolarHBondContact CB-OD1 3.22Å; F261-N263 PolarHBondContact O-N 3.44Å
264	S	98.2	Very high	98.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	0.9	173.3	63.4	0	0	0	0	113.3	F261 S262 R266 W267 F268 I317	F261-S264 PolarHBondContact O-N 3.49Å; F261-S264 PolarHBondContact O-OG 3.34Å; S262-S264 VanDerWaalsContact C-N 3.27Å; S262-S264 PolarHBondContact O-N 3.39Å; S264-R266 PolarHBondContact O-N 3.05Å; S264-R266 VanDerWaalsContact O-N 3.13Å; S264-W267 WeakPolarHBondContact O-CA 3.25Å; S264-W267 WeakPolarHBondContact O-CB 3.49Å; S264-W267 PolarHBondContact O-N 3.08Å; S264-F268 PolarHBondContact O-N 3.28Å; S264-F268 VanDerWaalsContact O-N 3.13Å; S264-I317 WeakPolarHBondContact CB-O 3.49Å; S264-I317 PolarHBondContact OG-O 3.38Å
265	A	98.1	Very high	98.3	Very high	17 Å²	17	33.3 Å²	33.3	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-51.1	-39.9	-179.1	0	0	0	0	0	113.4	N259 F261 S262 W267 F268 E269	N259-A265 WeakPolarHBondContact ND2-CB 3.43Å; F261-A265 PolarHBondContact O-N 2.96Å; S262-A265 PolarHBondContact O-N 3.21Å; A265-W267 PolarHBondContact O-N 3.49Å; A265-F268 WeakPolarHBondContact O-CB 3.29Å; A265-F268 PolarHBondContact O-N 2.97Å; A265-F268 VanDerWaalsContact O-N 3.12Å; A265-E269 WeakPolarHBondContact O-CG 3.24Å; A265-E269 PolarHBondContact O-N 3.25Å
266	R	98.5	Very high	98.3	Very high	69 Å²	69	37 Å²	37	26%	0.26	19%	0.192	S	C	.	.	H	α-helix	trans	-60.3	-30.7	176	71.7	-172.9	-173	90	-10.1	113.7	K40 H43 S264 R270	K40-R266 PolarHBondContact O-NH2 3.12Å; H43-R266 VanDerWaalsContact O-CZ 3.31Å; H43-R266 PolarHBondContact O-NH1 3.07Å; H43-R266 PolarHBondContact O-NH2 3.33Å; S264-R266 PolarHBondContact O-N 3.05Å; S264-R266 VanDerWaalsContact O-N 3.13Å; R266-R270 PolarHBondContact O-N 3.07Å
267	W	98.9	Very high	98.3	Very high	10 Å²	10	36.5 Å²	36.5	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-81.8	-33.4	176.9	-65	124.3	0	0	0	111.4	H43 P45 L243 S264 A265 R270 L271 L318 F354 Y358	H43-W267 HydrophobicContact CB-CZ2 4.41Å; H43-W267 AromaticContact CD2-CH2 3.63Å; H43-W267 AromaticContact CD2-CZ2 3.75Å; H43-W267 WeakPolarHBondContact O-CZ2 3.34Å; P45-W267 HydrophobicContact CB-CZ3 4.17Å; P45-W267 HydrophobicContact CG-CZ3 4.23Å; L243-W267 HydrophobicContact CD2-CB 4.13Å; L243-W267 HydrophobicContact CD2-CG 3.92Å; S264-W267 WeakPolarHBondContact O-CA 3.25Å; S264-W267 WeakPolarHBondContact O-CB 3.49Å; S264-W267 PolarHBondContact O-N 3.08Å; A265-W267 PolarHBondContact O-N 3.49Å; W267-R270 HydrophobicContact CE3-CG 4.27Å; W267-R270 WeakPolarHBondContact O-CB 3.44Å; W267-R270 PolarHBondContact O-N 2.86Å; W267-L271 PolarHBondContact O-N 2.99Å; W267-L271 VanDerWaalsContact O-N 3.16Å; W267-L318 HydrophobicContact CB-CD2 4.17Å; W267-F354 HydrophobicContact CB-CE2 4.04Å; W267-F354 HydrophobicContact CB-CZ 4.08Å; W267-F354 HydrophobicContact CD2-CE2 4.49Å; W267-F354 HydrophobicContact CD2-CZ 4.41Å; W267-F354 AromaticContact CE3-CE2 3.95Å; W267-F354 HydrophobicContact CE3-CE2 3.95Å; W267-F354 HydrophobicContact CE3-CZ 4.17Å; W267-F354 HydrophobicContact CG-CZ 4.42Å; W267-Y358 HydrophobicContact CD2-CD2 4.17Å; W267-Y358 AromaticContact CD2-CE2 3.86Å; W267-Y358 HydrophobicContact CD2-CE2 3.86Å; W267-Y358 AromaticContact CE2-CE2 3.39Å; W267-Y358 AromaticContact CE3-CD2 3.96Å; W267-Y358 HydrophobicContact CE3-CD2 3.96Å; W267-Y358 HydrophobicContact CE3-CE2 4.12Å; W267-Y358 AromaticContact CH2-CD2 3.59Å; W267-Y358 HydrophobicContact CH2-CD2 3.59Å; W267-Y358 AromaticContact CH2-CE2 3.56Å; W267-Y358 HydrophobicContact CH2-CE2 3.56Å; W267-Y358 HydrophobicContact CH2-CG 4.45Å; W267-Y358 AromaticContact CZ2-CD2 3.77Å; W267-Y358 HydrophobicContact CZ2-CD2 3.77Å; W267-Y358 AromaticContact CZ2-CE2 3.21Å; W267-Y358 HydrophobicContact CZ2-CE2 3.21Å; W267-Y358 AromaticContact CZ2-CZ 3.87Å; W267-Y358 AromaticContact CZ3-CD2 3.68Å; W267-Y358 HydrophobicContact CZ3-CD2 3.68Å; W267-Y358 AromaticContact CZ3-CE2 4Å; W267-Y358 HydrophobicContact CZ3-CE2 4Å; W267-Y358 AromaticContact NE1-CE2 3.94Å
268	F	98.8	Very high	98.3	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-45.2	168.5	-172.4	-84.6	0	0	0	111.4	F257 P258 N259 S264 A265 R270 L271 Q272 F294 Q295 L318	F257-F268 HydrophobicContact CB-CE2 4.16Å; F257-F268 VanDerWaalsContact O-CZ 3.24Å; F257-F268 WeakPolarHBondContact O-CZ 3.38Å; P258-F268 VanDerWaalsContact C-CE2 3.49Å; P258-F268 WeakPolarHBondContact O-CE2 3.33Å; N259-F268 HydrophobicContact CB-CD1 3.71Å; N259-F268 HydrophobicContact CB-CD2 4.25Å; N259-F268 HydrophobicContact CB-CE1 3.89Å; N259-F268 HydrophobicContact CB-CE2 4.4Å; N259-F268 HydrophobicContact CB-CG 3.91Å; N259-F268 HydrophobicContact CB-CZ 4.23Å; S264-F268 PolarHBondContact O-N 3.28Å; S264-F268 VanDerWaalsContact O-N 3.13Å; A265-F268 WeakPolarHBondContact O-CB 3.29Å; A265-F268 PolarHBondContact O-N 2.97Å; A265-F268 VanDerWaalsContact O-N 3.12Å; F268-R270 PolarHBondContact O-N 3.02Å; F268-L271 WeakPolarHBondContact O-CA 3.25Å; F268-L271 WeakPolarHBondContact O-CB 3.48Å; F268-L271 PolarHBondContact O-N 2.81Å; F268-Q272 HydrophobicContact CD1-CG 4.09Å; F268-Q272 HydrophobicContact CE1-CG 3.85Å; F268-Q272 PolarHBondContact O-N 2.65Å; F268-F294 HydrophobicContact CD2-CD1 4.47Å; F268-F294 HydrophobicContact CE1-CB 4.11Å; F268-F294 AromaticContact CE2-CD1 3.84Å; F268-F294 HydrophobicContact CE2-CD1 3.84Å; F268-F294 HydrophobicContact CZ-CB 3.85Å; F268-F294 HydrophobicContact CZ-CD1 4.02Å; F268-F294 HydrophobicContact CZ-CG 4.44Å; F268-Q295 WeakPolarHBondContact CE1-O 3.43Å; F268-L318 HydrophobicContact CB-CD1 3.83Å; F268-L318 HydrophobicContact CD2-CD1 4.08Å; F268-L318 HydrophobicContact CG-CD1 4.48Å
269	E	98.7	Very high	98.4	Very high	109 Å²	109	38.9 Å²	38.9	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-32.3	174.2	-72	168.5	-171.1	0	0	112.4	A265 Q272 A273	A265-E269 WeakPolarHBondContact O-CG 3.24Å; A265-E269 PolarHBondContact O-N 3.25Å; E269-Q272 WeakPolarHBondContact O-CB 3.35Å; E269-Q272 PolarHBondContact O-N 3.09Å; E269-A273 PolarHBondContact O-N 2.73Å
270	R	98.9	Very high	98.4	Very high	37 Å²	37	43 Å²	43	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-39.7	171	-75.8	-52.4	-53.4	148.4	0.2	112.6	P45 R266 W267 F268 Q272 A273 I274 F354 E357	P45-R270 HydrophobicContact CG-CG 4.23Å; R266-R270 PolarHBondContact O-N 3.07Å; W267-R270 HydrophobicContact CE3-CG 4.27Å; W267-R270 WeakPolarHBondContact O-CB 3.44Å; W267-R270 PolarHBondContact O-N 2.86Å; F268-R270 PolarHBondContact O-N 3.02Å; R270-Q272 VanDerWaalsContact C-N 3.31Å; R270-Q272 PolarHBondContact O-N 2.83Å; R270-A273 PolarHBondContact O-N 2.75Å; R270-I274 WeakPolarHBondContact O-CB 3.3Å; R270-I274 WeakPolarHBondContact O-CD1 3.43Å; R270-I274 VanDerWaalsContact O-CG1 3.23Å; R270-I274 WeakPolarHBondContact O-CG1 3.19Å; R270-I274 PolarHBondContact O-N 3.31Å; R270-F354 HydrophobicContact CB-CD2 4.48Å; R270-F354 HydrophobicContact CB-CE2 4.45Å; R270-E357 IonicContact CZ-OE2 3.11Å; R270-E357 IonicContact NE-OE2 3.76Å; R270-E357 PolarHBondContact NE-OE2 3.41Å; R270-E357 IonicContact NH2-OE1 3.67Å; R270-E357 PolarHBondContact NH2-OE1 2.92Å; R270-E357 IonicContact NH2-OE2 3.91Å; R270-E357 PolarHBondContact NH2-OE2 3.41Å
271	L	98.9	Very high	98.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-41.3	173.2	-67	171.4	0	0	0	111.5	W267 F268 A273 I274 E275 F294 L318 L320 I350 F354	W267-L271 PolarHBondContact O-N 2.99Å; W267-L271 VanDerWaalsContact O-N 3.16Å; F268-L271 WeakPolarHBondContact O-CA 3.25Å; F268-L271 WeakPolarHBondContact O-CB 3.48Å; F268-L271 PolarHBondContact O-N 2.81Å; L271-A273 PolarHBondContact O-N 2.81Å; L271-I274 PolarHBondContact O-N 3.01Å; L271-E275 WeakPolarHBondContact O-CB 3.47Å; L271-E275 PolarHBondContact O-N 2.99Å; L271-F294 HydrophobicContact CB-CD1 3.95Å; L271-F294 HydrophobicContact CB-CD2 4.04Å; L271-F294 HydrophobicContact CB-CE1 3.96Å; L271-F294 HydrophobicContact CB-CE2 4.07Å; L271-F294 HydrophobicContact CB-CG 4Å; L271-F294 HydrophobicContact CB-CZ 4.02Å; L271-F294 HydrophobicContact CD1-CD1 4.14Å; L271-F294 HydrophobicContact CD1-CE1 3.63Å; L271-F294 HydrophobicContact CD1-CZ 4.05Å; L271-F294 HydrophobicContact CD2-CZ 4.4Å; L271-F294 HydrophobicContact CG-CE1 4.33Å; L271-F294 HydrophobicContact CG-CZ 4.4Å; L271-L318 HydrophobicContact CD1-CD2 3.71Å; L271-L318 HydrophobicContact CD1-CG 4.34Å; L271-L320 HydrophobicContact CD1-CD1 4.29Å; L271-L320 HydrophobicContact CD1-CD2 3.72Å; L271-I350 HydrophobicContact CD2-CG2 3.82Å; L271-F354 HydrophobicContact CD2-CB 3.78Å; L271-F354 HydrophobicContact CD2-CD2 3.63Å; L271-F354 HydrophobicContact CD2-CE2 4.4Å; L271-F354 HydrophobicContact CD2-CG 3.77Å; L271-F354 HydrophobicContact CG-CD2 3.98Å; L271-F354 HydrophobicContact CG-CE2 4.34Å
272	Q	98.8	Very high	98.5	Very high	30 Å²	30	44.4 Å²	44.4	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-43.9	174.9	-63.6	-173.5	-63.8	0	0	112.6	F268 E269 R270 H276 F294 N296	F268-Q272 HydrophobicContact CD1-CG 4.09Å; F268-Q272 HydrophobicContact CE1-CG 3.85Å; F268-Q272 PolarHBondContact O-N 2.65Å; E269-Q272 WeakPolarHBondContact O-CB 3.35Å; E269-Q272 PolarHBondContact O-N 3.09Å; R270-Q272 VanDerWaalsContact C-N 3.31Å; R270-Q272 PolarHBondContact O-N 2.83Å; Q272-H276 WeakPolarHBondContact O-CB 3.48Å; Q272-H276 PolarHBondContact O-N 3.46Å; Q272-F294 HydrophobicContact CB-CB 4.43Å; Q272-F294 HydrophobicContact CG-CB 3.49Å; Q272-F294 VanDerWaalsContact CG-CB 3.49Å; Q272-F294 PolarHBondContact NE2-O 2.7Å; Q272-N296 PolarHBondContact NE2-OD1 3.43Å
273	A	98.8	Very high	98.6	Very high	27 Å²	27	40 Å²	40	22%	0.223	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-43	178.5	0	0	0	0	0	111.9	E269 R270 L271 H276 E277	E269-A273 PolarHBondContact O-N 2.73Å; R270-A273 PolarHBondContact O-N 2.75Å; L271-A273 PolarHBondContact O-N 2.81Å; A273-H276 PolarHBondContact O-N 3.07Å; A273-E277 WeakPolarHBondContact O-CB 3.15Å; A273-E277 VanDerWaalsContact O-CG 3.28Å; A273-E277 WeakPolarHBondContact O-CG 3.21Å; A273-E277 PolarHBondContact O-N 3.07Å
274	I	98.9	Very high	98.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-46.3	176.2	-69.4	163.1	0	0	0	110.8	R270 L271 H276 E277 L278 I350 V353 F354	R270-I274 WeakPolarHBondContact O-CB 3.3Å; R270-I274 WeakPolarHBondContact O-CD1 3.43Å; R270-I274 VanDerWaalsContact O-CG1 3.23Å; R270-I274 WeakPolarHBondContact O-CG1 3.19Å; R270-I274 PolarHBondContact O-N 3.31Å; L271-I274 PolarHBondContact O-N 3.01Å; I274-H276 VanDerWaalsContact C-N 3.34Å; I274-H276 PolarHBondContact O-N 3.04Å; I274-E277 PolarHBondContact O-N 3.42Å; I274-L278 HydrophobicContact CG2-CD1 3.84Å; I274-L278 HydrophobicContact CG2-CG 4.31Å; I274-L278 WeakPolarHBondContact O-CB 3.46Å; I274-L278 VanDerWaalsContact O-CG 3.31Å; I274-L278 WeakPolarHBondContact O-CG 3.39Å; I274-L278 PolarHBondContact O-N 3.08Å; I274-I350 HydrophobicContact CB-CG2 4.42Å; I274-I350 HydrophobicContact CG2-CB 4.25Å; I274-I350 HydrophobicContact CG2-CG1 4.32Å; I274-I350 HydrophobicContact CG2-CG2 3.92Å; I274-V353 HydrophobicContact CB-CG1 4.39Å; I274-V353 HydrophobicContact CD1-CB 4.46Å; I274-V353 HydrophobicContact CD1-CG1 3.85Å; I274-V353 HydrophobicContact CG1-CG1 3.8Å; I274-V353 HydrophobicContact CG2-CB 3.79Å; I274-V353 HydrophobicContact CG2-CG1 3.68Å; I274-V353 HydrophobicContact CG2-CG2 4.47Å; I274-F354 HydrophobicContact CD1-CB 3.86Å; I274-F354 HydrophobicContact CD1-CD2 4.3Å
275	E	98.9	Very high	98.6	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-56.1	-48.7	175.3	172.6	174.4	-134.3	0	0	111.6	L271 H279 L284 H287 R292 Y293 F294 I350	L271-E275 WeakPolarHBondContact O-CB 3.47Å; L271-E275 PolarHBondContact O-N 2.99Å; E275-H279 WeakPolarHBondContact O-CB 3.47Å; E275-H279 PolarHBondContact O-N 3.46Å; E275-L284 HydrophobicContact CG-CD1 4.36Å; E275-H287 IonicContact OE1-NE2 2.73Å; E275-H287 PolarHBondContact OE1-NE2 3.26Å; E275-H287 VanDerWaalsContact OE1-NE2 3.17Å; E275-R292 WeakPolarHBondContact OE1-CA 3.35Å; E275-Y293 WeakPolarHBondContact OE1-CB 3.31Å; E275-Y293 WeakPolarHBondContact OE1-CD2 3.21Å; E275-Y293 PolarHBondContact OE1-N 2.88Å; E275-F294 HydrophobicContact CB-CD2 4.19Å; E275-F294 WeakPolarHBondContact OE2-CD2 3.22Å; E275-F294 PolarHBondContact OE2-N 2.97Å; E275-I350 HydrophobicContact CB-CD1 3.94Å; E275-I350 HydrophobicContact CB-CG1 4.45Å; E275-I350 HydrophobicContact CG-CD1 4.17Å
276	H	98.6	Very high	98.6	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.417	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-47.8	178.4	-179.1	62.4	0	0	0	111.9	Q272 A273 I274 L278 H279 E280	Q272-H276 WeakPolarHBondContact O-CB 3.48Å; Q272-H276 PolarHBondContact O-N 3.46Å; A273-H276 PolarHBondContact O-N 3.07Å; I274-H276 VanDerWaalsContact C-N 3.34Å; I274-H276 PolarHBondContact O-N 3.04Å; H276-L278 PolarHBondContact O-N 3.19Å; H276-H279 WeakPolarHBondContact O-CB 3.48Å; H276-H279 PolarHBondContact O-N 3.47Å; H276-E280 IonicContact CE1-OE1 2.76Å; H276-E280 WeakPolarHBondContact O-CG 3.47Å; H276-E280 PolarHBondContact O-N 3.49Å
277	E	98.6	Very high	98.6	Very high	59 Å²	59	45.5 Å²	45.5	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-42.5	179.9	-72.4	171.9	-148.2	0	0	112.4	L53 A273 I274 H279 E280 L281	L53-E277 HydrophobicContact CD1-CB 4.26Å; A273-E277 WeakPolarHBondContact O-CB 3.15Å; A273-E277 VanDerWaalsContact O-CG 3.28Å; A273-E277 WeakPolarHBondContact O-CG 3.21Å; A273-E277 PolarHBondContact O-N 3.07Å; I274-E277 PolarHBondContact O-N 3.42Å; E277-H279 VanDerWaalsContact C-N 3.32Å; E277-H279 PolarHBondContact O-N 3.22Å; E277-E280 PolarHBondContact O-N 3.04Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 VanDerWaalsContact O-CG 3.28Å; E277-L281 WeakPolarHBondContact O-CG 3.32Å; E277-L281 PolarHBondContact O-N 2.76Å; E277-L281 VanDerWaalsContact O-N 3.1Å
278	L	98.8	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-35.8	175.4	-70.1	175.9	0	0	0	111.8	L53 I274 H276 G282 L283 L284 K349 I350 V353	L53-L278 HydrophobicContact CB-CD2 4.15Å; L53-L278 HydrophobicContact CD2-CD2 4.27Å; I274-L278 HydrophobicContact CG2-CD1 3.84Å; I274-L278 HydrophobicContact CG2-CG 4.31Å; I274-L278 WeakPolarHBondContact O-CB 3.46Å; I274-L278 VanDerWaalsContact O-CG 3.31Å; I274-L278 WeakPolarHBondContact O-CG 3.39Å; I274-L278 PolarHBondContact O-N 3.08Å; H276-L278 PolarHBondContact O-N 3.19Å; L278-G282 PolarHBondContact O-N 3.26Å; L278-L283 HydrophobicContact CB-CB 4.43Å; L278-L283 HydrophobicContact CD2-CB 4.15Å; L278-L283 HydrophobicContact CD2-CD1 3.74Å; L278-L283 WeakPolarHBondContact O-CB 3.38Å; L278-L283 PolarHBondContact O-N 3.39Å; L278-L284 HydrophobicContact CB-CD1 4.22Å; L278-L284 HydrophobicContact CB-CD2 3.79Å; L278-L284 HydrophobicContact CB-CG 3.82Å; L278-L284 HydrophobicContact CD1-CD2 4.1Å; L278-K349 HydrophobicContact CD1-CB 4Å; L278-I350 HydrophobicContact CD1-CG1 3.81Å; L278-V353 HydrophobicContact CD1-CG2 4.47Å
279	H	98.6	Very high	98	Very high	50 Å²	50	50.3 Å²	50.3	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-51.6	173.7	178.1	71.1	0	0	0	112	E275 H276 E277 L281 G282 L284 H287 L289	E275-H279 WeakPolarHBondContact O-CB 3.47Å; E275-H279 PolarHBondContact O-N 3.46Å; H276-H279 WeakPolarHBondContact O-CB 3.48Å; H276-H279 PolarHBondContact O-N 3.47Å; E277-H279 VanDerWaalsContact C-N 3.32Å; E277-H279 PolarHBondContact O-N 3.22Å; H279-L281 PolarHBondContact O-N 3.41Å; H279-G282 WeakPolarHBondContact O-CA 3.44Å; H279-G282 PolarHBondContact O-N 3.07Å; H279-L284 HydrophobicContact CB-CD1 4.18Å; H279-H287 AromaticContact CE1-ND1 3.93Å; H279-H287 PolarHBondContact CE1-O 3.41Å; H279-H287 AromaticContact CG-ND1 3.58Å; H279-H287 AromaticContact ND1-CE1 3.93Å; H279-H287 AromaticContact ND1-ND1 3.08Å; H279-H287 PolarHBondContact ND1-ND1 3.47Å; H279-L289 HydrophobicContact CB-CD2 4.23Å; H279-L289 WeakPolarHBondContact CD2-CG 3.48Å
280	E	98.5	Very high	97.6	Very high	119 Å²	119	54 Å²	54	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-30.1	-179.5	-68.6	-60.2	126.3	0	0	112.4	H276 E277 G282	H276-E280 IonicContact CE1-OE1 2.76Å; H276-E280 WeakPolarHBondContact O-CG 3.47Å; H276-E280 PolarHBondContact O-N 3.49Å; E277-E280 PolarHBondContact O-N 3.04Å; E280-G282 VanDerWaalsContact C-N 3.27Å; E280-G282 PolarHBondContact O-N 3.16Å
281	L	98.6	Very high	97.1	Very high	40 Å²	40	59.8 Å²	59.8	21%	0.209	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-4.6	174.9	-69.1	173.3	0	0	0	114	L53 E277 H279 L283	L53-L281 HydrophobicContact CB-CD1 4.07Å; L53-L281 HydrophobicContact CD1-CD1 3.74Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 VanDerWaalsContact O-CG 3.28Å; E277-L281 WeakPolarHBondContact O-CG 3.32Å; E277-L281 PolarHBondContact O-N 2.76Å; E277-L281 VanDerWaalsContact O-N 3.1Å; H279-L281 PolarHBondContact O-N 3.41Å; L281-L283 HydrophobicContact CB-CD1 3.75Å; L281-L283 HydrophobicContact CB-CG 3.8Å; L281-L283 HydrophobicContact CD1-CD1 4.04Å
282	G	98.5	Very high	96.9	Very high	61 Å²	61	63.3 Å²	63.3	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	30.9	-177.6	0	0	0	0	0	113.5	L278 H279 E280	L278-G282 PolarHBondContact O-N 3.26Å; H279-G282 WeakPolarHBondContact O-CA 3.44Å; H279-G282 PolarHBondContact O-N 3.07Å; E280-G282 VanDerWaalsContact C-N 3.27Å; E280-G282 PolarHBondContact O-N 3.16Å
283	L	98.7	Very high	96.9	Very high	26 Å²	26	62.2 Å²	62.2	14%	0.136	31%	0.313	C	S	.	.			trans	-99.7	-9.1	-174.4	-60	175.8	0	0	0	113.8	L53 R54 A57 L278 L281 K349	L53-L283 HydrophobicContact CB-CD1 4.39Å; R54-L283 HydrophobicContact CG-CD1 3.99Å; R54-L283 HydrophobicContact CG-CD2 4.13Å; A57-L283 HydrophobicContact CB-CB 4.01Å; A57-L283 HydrophobicContact CB-CD1 4.03Å; A57-L283 HydrophobicContact CB-CD2 4.12Å; A57-L283 HydrophobicContact CB-CG 4.27Å; L278-L283 HydrophobicContact CB-CB 4.43Å; L278-L283 HydrophobicContact CD2-CB 4.15Å; L278-L283 HydrophobicContact CD2-CD1 3.74Å; L278-L283 WeakPolarHBondContact O-CB 3.38Å; L278-L283 PolarHBondContact O-N 3.39Å; L281-L283 HydrophobicContact CB-CD1 3.75Å; L281-L283 HydrophobicContact CB-CG 3.8Å; L281-L283 HydrophobicContact CD1-CD1 4.04Å; L283-K349 WeakPolarHBondContact O-CD 3.41Å; L283-K349 PolarHBondContact O-NZ 3.41Å
284	L	98.6	Very high	96.9	Very high	19 Å²	19	61.1 Å²	61.1	10%	0.099	30%	0.304	C	S	.	.	S	Bend	trans	-97.8	143.3	172.9	-55.2	-175	0	0	0	110.6	E275 L278 H279 H287 N346 K349	E275-L284 HydrophobicContact CG-CD1 4.36Å; L278-L284 HydrophobicContact CB-CD1 4.22Å; L278-L284 HydrophobicContact CB-CD2 3.79Å; L278-L284 HydrophobicContact CB-CG 3.82Å; L278-L284 HydrophobicContact CD1-CD2 4.1Å; H279-L284 HydrophobicContact CB-CD1 4.18Å; L284-H287 HydrophobicContact CB-CB 3.72Å; L284-H287 HydrophobicContact CD1-CB 4.36Å; L284-N346 WeakPolarHBondContact CA-OD1 3.27Å; L284-N346 WeakPolarHBondContact CB-OD1 3.46Å; L284-N346 HydrophobicContact CD2-CB 3.96Å; L284-K349 HydrophobicContact CD2-CD 4.36Å
285	K	97.9	Very high	96.6	Very high	99 Å²	99	62.7 Å²	62.7	43%	0.43	31%	0.311	S	S	.	.	S	Bend	trans	-99.8	141.4	179	-63.2	178.6	-175	155.7	0	110.4	H287 D345 N346	K285-H287 PolarHBondContact O-N 2.91Å; K285-D345 WeakPolarHBondContact CE-OD2 3.27Å; K285-D345 IonicContact NZ-OD2 3.88Å; K285-D345 PolarHBondContact NZ-OD2 2.98Å; K285-N346 PolarHBondContact N-OD1 3.28Å; K285-N346 PolarHBondContact O-ND2 3.23Å
286	D	97.4	Very high	96.1	Very high	149 Å²	149	68 Å²	68	80%	0.797	34%	0.34	S	S	*	.	S	Bend	trans	50.4	30.9	176.6	-51.4	-42.2	0	0	0	114.5	S342	D286-S342 WeakPolarHBondContact OD2-CB 3.27Å; D286-S342 PolarHBondContact OD2-OG 3.38Å
287	H	98.1	Very high	95.6	Very high	23 Å²	23	67.5 Å²	67.5	11%	0.106	33%	0.334	C	S	.	.			trans	-111.7	139	-173.1	178.2	-91.7	0	0	0	111.9	E275 H279 L284 K285 Y293	E275-H287 IonicContact OE1-NE2 2.73Å; E275-H287 PolarHBondContact OE1-NE2 3.26Å; E275-H287 VanDerWaalsContact OE1-NE2 3.17Å; H279-H287 AromaticContact CE1-ND1 3.93Å; H279-H287 PolarHBondContact CE1-O 3.41Å; H279-H287 AromaticContact CG-ND1 3.58Å; H279-H287 AromaticContact ND1-CE1 3.93Å; H279-H287 AromaticContact ND1-ND1 3.08Å; H279-H287 PolarHBondContact ND1-ND1 3.47Å; L284-H287 HydrophobicContact CB-CB 3.72Å; L284-H287 HydrophobicContact CD1-CB 4.36Å; K285-H287 PolarHBondContact O-N 2.91Å; H287-Y293 AromaticContact CD2-CE2 3.71Å; H287-Y293 AromaticContact CD2-CZ 3.58Å
288	S	95.4	Very high	95.1	Very high	44 Å²	44	69.2 Å²	69.2	31%	0.308	35%	0.353	S	S	.	.			trans	-131.1	147.4	172.4	75.9	0	0	0	0	111.5	E290 R291 R292	S288-E290 PolarHBondContact O-N 3.28Å; S288-R291 CarbonylContact O-C 3.59Å; S288-R291 PolarHBondContact O-N 2.96Å; S288-R291 PolarHBondContact OG-N 3.26Å; S288-R292 PolarHBondContact O-N 3.05Å; S288-R292 VanDerWaalsContact O-N 3.14Å
289	L	90.4	Very high	94.4	Very high	69 Å²	69	73.2 Å²	73.2	36%	0.361	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-64.9	-25.3	177.4	-66.3	175.9	0	0	0	113.5	H279 R291	H279-L289 HydrophobicContact CB-CD2 4.23Å; H279-L289 WeakPolarHBondContact CD2-CG 3.48Å; L289-R291 PolarHBondContact O-N 3.49Å
290	E	89.8	Confident	93.5	Very high	186 Å²	186	75 Å²	75	87%	0.869	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-65.1	-26.2	172.7	-64.4	-177	172.6	0	0	112	S288	S288-E290 PolarHBondContact O-N 3.28Å
291	R	87.5	Confident	93	Very high	160 Å²	160	71.2 Å²	71.2	60%	0.604	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-122.4	36.7	-179.4	-59.6	-174.5	-176.8	-176.6	1.5	112.2	S288 L289	S288-R291 CarbonylContact O-C 3.59Å; S288-R291 PolarHBondContact O-N 2.96Å; S288-R291 PolarHBondContact OG-N 3.26Å; L289-R291 PolarHBondContact O-N 3.49Å
292	R	95.4	Very high	92.7	Very high	75 Å²	75	74.9 Å²	74.9	28%	0.283	42%	0.417	S	S	.	.			trans	-54.6	148.3	171.7	63.9	-179.3	173.5	174.1	-0.7	111	E275 S288 Q295 N296	E275-R292 WeakPolarHBondContact OE1-CA 3.35Å; S288-R292 PolarHBondContact O-N 3.05Å; S288-R292 VanDerWaalsContact O-N 3.14Å; R292-Q295 PolarHBondContact O-NE2 3.47Å; R292-N296 PolarHBondContact NH2-ND2 3.46Å; R292-N296 PolarHBondContact NH2-OD1 3.1Å
293	Y	98.5	Very high	92.6	Very high	8 Å²	8	72.8 Å²	72.8	3%	0.031	39%	0.391	C	S	.	.	S	Bend	trans	-76	-41	-180	-45.9	-52.4	0	0	0	111.6	P255 M256 F257 E275 H287 Q295 T343 N346 L347 I350	P255-Y293 HydrophobicContact CG-CD1 3.8Å; P255-Y293 HydrophobicContact CG-CE1 4.34Å; P255-Y293 HydrophobicContact CG-CG 4.39Å; P255-Y293 WeakPolarHBondContact O-CA 3.08Å; M256-Y293 CarbonylContact C-O 3.56Å; M256-Y293 WeakPolarHBondContact CA-O 3.37Å; F257-Y293 PolarHBondContact N-O 3.27Å; E275-Y293 WeakPolarHBondContact OE1-CB 3.31Å; E275-Y293 WeakPolarHBondContact OE1-CD2 3.21Å; E275-Y293 PolarHBondContact OE1-N 2.88Å; H287-Y293 AromaticContact CD2-CE2 3.71Å; H287-Y293 AromaticContact CD2-CZ 3.58Å; Y293-Q295 PolarHBondContact O-N 2.84Å; Y293-T343 HydrophobicContact CE1-CG2 4.21Å; Y293-N346 HydrophobicContact CE2-CB 3.83Å; Y293-N346 PolarHBondContact OH-ND2 3.49Å; Y293-L347 HydrophobicContact CD2-CD2 3.77Å; Y293-L347 HydrophobicContact CD2-CG 4.37Å; Y293-L347 HydrophobicContact CE2-CD2 4.38Å; Y293-L347 HydrophobicContact CG-CD2 4.22Å; Y293-I350 HydrophobicContact CD2-CD1 4.07Å; Y293-I350 HydrophobicContact CE2-CD1 4.26Å
294	F	98.5	Very high	92.6	Very high	4 Å²	4	75.9 Å²	75.9	2%	0.018	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106.6	-173.3	-61	-76.1	0	0	0	111.6	F257 F268 L271 Q272 E275 L320 L347 I350	F257-F294 HydrophobicContact CB-CD1 3.86Å; F257-F294 HydrophobicContact CB-CE1 4.11Å; F257-F294 HydrophobicContact CD2-CD1 4.07Å; F257-F294 AromaticContact CD2-CE1 3.77Å; F257-F294 HydrophobicContact CD2-CE1 3.77Å; F257-F294 HydrophobicContact CD2-CZ 4.19Å; F257-F294 HydrophobicContact CE2-CE1 4.49Å; F257-F294 HydrophobicContact CG-CD1 4.25Å; F257-F294 HydrophobicContact CG-CE1 4.04Å; F268-F294 HydrophobicContact CD2-CD1 4.47Å; F268-F294 HydrophobicContact CE1-CB 4.11Å; F268-F294 AromaticContact CE2-CD1 3.84Å; F268-F294 HydrophobicContact CE2-CD1 3.84Å; F268-F294 HydrophobicContact CZ-CB 3.85Å; F268-F294 HydrophobicContact CZ-CD1 4.02Å; F268-F294 HydrophobicContact CZ-CG 4.44Å; L271-F294 HydrophobicContact CB-CD1 3.95Å; L271-F294 HydrophobicContact CB-CD2 4.04Å; L271-F294 HydrophobicContact CB-CE1 3.96Å; L271-F294 HydrophobicContact CB-CE2 4.07Å; L271-F294 HydrophobicContact CB-CG 4Å; L271-F294 HydrophobicContact CB-CZ 4.02Å; L271-F294 HydrophobicContact CD1-CD1 4.14Å; L271-F294 HydrophobicContact CD1-CE1 3.63Å; L271-F294 HydrophobicContact CD1-CZ 4.05Å; L271-F294 HydrophobicContact CD2-CZ 4.4Å; L271-F294 HydrophobicContact CG-CE1 4.33Å; L271-F294 HydrophobicContact CG-CZ 4.4Å; Q272-F294 HydrophobicContact CB-CB 4.43Å; Q272-F294 HydrophobicContact CG-CB 3.49Å; Q272-F294 VanDerWaalsContact CG-CB 3.49Å; Q272-F294 PolarHBondContact NE2-O 2.7Å; E275-F294 HydrophobicContact CB-CD2 4.19Å; E275-F294 WeakPolarHBondContact OE2-CD2 3.22Å; E275-F294 PolarHBondContact OE2-N 2.97Å; F294-L320 HydrophobicContact CE1-CD2 4.06Å; F294-L347 HydrophobicContact CE2-CD2 4.21Å; F294-L347 HydrophobicContact CZ-CD2 4.08Å; F294-I350 HydrophobicContact CE2-CD1 4.11Å; F294-I350 HydrophobicContact CE2-CG2 3.83Å; F294-I350 HydrophobicContact CZ-CG2 4.29Å
295	Q	93.3	Very high	92.6	Very high	33 Å²	33	75 Å²	75	15%	0.154	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	149.4	-165.3	-65.4	-69.4	-22.5	0	0	114.2	M256 F257 F268 R292 Y293 Y297	M256-Q295 HydrophobicContact CB-CG 3.97Å; M256-Q295 HydrophobicContact CG-CG 4.09Å; M256-Q295 HydrophobicContact SD-CG 4.44Å; F257-Q295 PolarHBondContact O-N 2.88Å; F257-Q295 VanDerWaalsContact O-N 3.09Å; F268-Q295 WeakPolarHBondContact CE1-O 3.43Å; R292-Q295 PolarHBondContact O-NE2 3.47Å; Y293-Q295 PolarHBondContact O-N 2.84Å; Q295-Y297 HydrophobicContact CB-CD1 3.41Å; Q295-Y297 VanDerWaalsContact CB-CD1 3.41Å; Q295-Y297 HydrophobicContact CB-CE1 3.32Å; Q295-Y297 HydrophobicContact CB-CG 4.42Å; Q295-Y297 HydrophobicContact CG-CD1 4.21Å; Q295-Y297 HydrophobicContact CG-CE1 3.7Å; Q295-Y297 PolarHBondContact O-N 3.33Å
296	N	88.7	Confident	92.6	Very high	115 Å²	115	70.3 Å²	70.3	62%	0.615	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	36.5	177.4	-75	-1.6	0	0	0	112.9	Q272 R292	Q272-N296 PolarHBondContact NE2-OD1 3.43Å; R292-N296 PolarHBondContact NH2-ND2 3.46Å; R292-N296 PolarHBondContact NH2-OD1 3.1Å
297	Y	88.8	Confident	92.7	Very high	78 Å²	78	63.3 Å²	63.3	31%	0.306	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.9	175.5	72.6	-99.9	0	0	0	111	P258 N259 Q295 S323	P258-Y297 HydrophobicContact CB-CD2 4.19Å; P258-Y297 HydrophobicContact CB-CE2 3.64Å; P258-Y297 HydrophobicContact CG-CE2 3.7Å; N259-Y297 PolarHBondContact N-O 3.35Å; Q295-Y297 HydrophobicContact CB-CD1 3.41Å; Q295-Y297 VanDerWaalsContact CB-CD1 3.41Å; Q295-Y297 HydrophobicContact CB-CE1 3.32Å; Q295-Y297 HydrophobicContact CB-CG 4.42Å; Q295-Y297 HydrophobicContact CG-CD1 4.21Å; Q295-Y297 HydrophobicContact CG-CE1 3.7Å; Q295-Y297 PolarHBondContact O-N 3.33Å; Y297-S323 PolarHBondContact OH-O 2.93Å
298	S	86.3	Confident	92.7	Very high	95 Å²	95	62.8 Å²	62.8	66%	0.664	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	150.5	170.3	54.8	0	0	0	0	110.5	N259	N259-S298 WeakPolarHBondContact O-CA 3.37Å; N259-S298 WeakPolarHBondContact O-CB 3.32Å
299	Y	85.8	Confident	92.9	Very high	85 Å²	85	61 Å²	61	33%	0.333	33%	0.328	S	S	.	.			trans	-95.5	123.5	175.2	-171.7	-95.4	0	0	0	109.6	P258 F260 G301 I303 S323	P258-Y299 HydrophobicContact CG-CD2 4.42Å; F260-Y299 HydrophobicContact CD1-CD1 4.07Å; F260-Y299 HydrophobicContact CD1-CG 4.1Å; F260-Y299 AromaticContact CE1-CD1 3.72Å; F260-Y299 HydrophobicContact CE1-CD1 3.72Å; F260-Y299 HydrophobicContact CE1-CD2 4.38Å; F260-Y299 AromaticContact CE1-CG 3.64Å; F260-Y299 HydrophobicContact CE1-CG 3.64Å; Y299-G301 VanDerWaalsContact CD1-N 3.28Å; Y299-G301 VanDerWaalsContact CD1-O 3.31Å; Y299-G301 WeakPolarHBondContact CD1-O 3.39Å; Y299-G301 VanDerWaalsContact CE1-C 3.43Å; Y299-I303 HydrophobicContact CE1-CD1 4.33Å; Y299-I303 HydrophobicContact CE1-CG1 3.94Å; Y299-S323 WeakPolarHBondContact CE2-OG 3.45Å
300	G	79.1	Confident	93.3	Very high	88 Å²	88	57.7 Å²	57.7	91%	0.907	31%	0.31	S	S	*	.			trans	-82.3	-11	-175.9	0	0	0	0	0	115.2
301	G	88	Confident	93.7	Very high	39 Å²	39	51.2 Å²	51.2	40%	0.402	28%	0.281	S	S	.	.	S	Bend	trans	-95.1	-176	178.8	0	0	0	0	0	113.3	Y299	Y299-G301 VanDerWaalsContact CD1-N 3.28Å; Y299-G301 VanDerWaalsContact CD1-O 3.31Å; Y299-G301 WeakPolarHBondContact CD1-O 3.39Å; Y299-G301 VanDerWaalsContact CE1-C 3.43Å
302	V	91.5	Very high	94.2	Very high	116 Å²	116	52.7 Å²	52.7	70%	0.703	29%	0.287	S	S	*	.			trans	-117.9	120.6	171.9	178.7	0	0	0	0	107.9	I308	V302-I308 HydrophobicContact CG1-CD1 4.05Å
303	I	96.6	Very high	94.4	Very high	18 Å²	18	54.7 Å²	54.7	9%	0.092	30%	0.295	C	S	.	.			trans	-89	127.9	167.6	-62.6	176.9	0	0	0	107	F260 Y299 H307 I321 F325	F260-I303 HydrophobicContact CE1-CD1 3.67Å; F260-I303 HydrophobicContact CE1-CG1 4.34Å; F260-I303 HydrophobicContact CZ-CD1 3.75Å; Y299-I303 HydrophobicContact CE1-CD1 4.33Å; Y299-I303 HydrophobicContact CE1-CG1 3.94Å; I303-H307 PolarHBondContact O-CE1 2.83Å; I303-I321 HydrophobicContact CD1-CG2 3.9Å; I303-I321 HydrophobicContact CG2-CD1 4.08Å; I303-F325 HydrophobicContact CD1-CE1 4Å; I303-F325 HydrophobicContact CD1-CZ 4.33Å; I303-F325 HydrophobicContact CG2-CZ 4.02Å
304	Q	98.3	Very high	94.4	Very high	90 Å²	90	57 Å²	57	42%	0.421	32%	0.321	S	S	.	.			trans	-89.6	125.7	175.3	-56	-168.1	-58.6	0	0	108.7	W207	W207-Q304 HydrophobicContact CZ2-CB 3.52Å
305	D	98.8	Very high	94.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	32%	0.321	C	S	.	.	S	Bend	trans	-163.7	176.8	-175.6	-173.7	-0.8	0	0	0	107.4	L213 L246 H307 I308 H319	L213-D305 WeakPolarHBondContact CD1-O 3.3Å; L213-D305 VanDerWaalsContact CD2-C 3.41Å; L246-D305 HydrophobicContact CD2-CB 4.34Å; L246-D305 WeakPolarHBondContact CD2-OD2 3.49Å; D305-H307 PolarHBondContact O-N 3.31Å; D305-I308 WeakPolarHBondContact O-CB 3.3Å; D305-I308 VanDerWaalsContact O-CG1 3.3Å; D305-I308 WeakPolarHBondContact O-CG1 3.42Å; D305-I308 PolarHBondContact O-N 2.73Å; D305-H319 IonicContact OD2-CD2 3.43Å; D305-H319 IonicContact OD2-CE1 3.5Å; D305-H319 PolarHBondContact OD2-CE1 3.47Å; D305-H319 IonicContact OD2-NE2 3.46Å; D305-H319 PolarHBondContact OD2-NE2 3.34Å
306	D	98.9	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-18.8	-174.4	-85.7	-30.8	0	0	0	114.8	F198 E201 S216 L246 I308 P309 F310	F198-D306 WeakPolarHBondContact CB-OD2 3.34Å; F198-D306 HydrophobicContact CD2-CB 3.7Å; F198-D306 WeakPolarHBondContact CD2-OD2 3.07Å; F198-D306 HydrophobicContact CE2-CB 3.87Å; F198-D306 HydrophobicContact CG-CB 4.35Å; F198-D306 WeakPolarHBondContact CG-OD2 3.41Å; E201-D306 WeakPolarHBondContact CG-OD2 3.47Å; S216-D306 WeakPolarHBondContact CB-O 3.28Å; S216-D306 WeakPolarHBondContact CB-OD1 3.01Å; S216-D306 PolarHBondContact OG-OD1 3.23Å; L246-D306 HydrophobicContact CD1-CB 4.27Å; L246-D306 HydrophobicContact CD2-CB 4Å; D306-I308 VanDerWaalsContact C-N 3.31Å; D306-I308 PolarHBondContact O-N 2.85Å; D306-P309 WeakPolarHBondContact O-CD 3.4Å; D306-F310 VanDerWaalsContact O-CD2 3.31Å; D306-F310 WeakPolarHBondContact O-CD2 3.43Å
307	H	98.8	Very high	95.1	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.014	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.1	174.4	72.5	-83.3	0	0	0	112.6	L244 L246 F261 I303 D305 F310 L311 I317 H319	L244-H307 HydrophobicContact CD2-CB 4.4Å; L246-H307 HydrophobicContact CD2-CB 3.64Å; L246-H307 VanDerWaalsContact CD2-N 3.3Å; F261-H307 AromaticContact CZ-CD2 3.92Å; F261-H307 AromaticContact CZ-NE2 3.67Å; I303-H307 PolarHBondContact O-CE1 2.83Å; D305-H307 PolarHBondContact O-N 3.31Å; H307-F310 PolarHBondContact O-N 3.04Å; H307-L311 WeakPolarHBondContact O-CB 3.4Å; H307-L311 PolarHBondContact O-N 2.96Å; H307-I317 HydrophobicContact CB-CD1 4.04Å; H307-I317 HydrophobicContact CB-CG1 4.15Å; H307-I317 HydrophobicContact CB-CG2 3.6Å; H307-H319 AromaticContact CE1-CE1 3.42Å; H307-H319 PolarHBondContact CE1-CE1 3.43Å; H307-H319 VanDerWaalsContact CE1-CE1 3.42Å; H307-H319 AromaticContact CE1-ND1 3.26Å; H307-H319 PolarHBondContact CE1-ND1 3.25Å; H307-H319 VanDerWaalsContact CE1-ND1 3.26Å; H307-H319 AromaticContact ND1-CE1 3.46Å; H307-H319 PolarHBondContact ND1-CE1 2.86Å; H307-H319 AromaticContact ND1-CG 3.97Å; H307-H319 AromaticContact ND1-ND1 3.47Å; H307-H319 PolarHBondContact ND1-ND1 2.81Å; H307-H319 AromaticContact ND1-NE2 3.93Å
308	I	98.8	Very high	95.6	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-45.8	-171.5	-69.4	-68.9	0	0	0	112.9	L213 V302 D305 D306 F310 L311 R312	L213-I308 HydrophobicContact CD1-CB 4.26Å; V302-I308 HydrophobicContact CG1-CD1 4.05Å; D305-I308 WeakPolarHBondContact O-CB 3.3Å; D305-I308 VanDerWaalsContact O-CG1 3.3Å; D305-I308 WeakPolarHBondContact O-CG1 3.42Å; D305-I308 PolarHBondContact O-N 2.73Å; D306-I308 VanDerWaalsContact C-N 3.31Å; D306-I308 PolarHBondContact O-N 2.85Å; I308-F310 VanDerWaalsContact C-N 3.26Å; I308-F310 PolarHBondContact O-N 2.68Å; I308-L311 HydrophobicContact CD1-CD2 4.44Å; I308-L311 PolarHBondContact O-N 3.25Å; I308-R312 HydrophobicContact CG2-CG 4.46Å; I308-R312 WeakPolarHBondContact O-CB 3.42Å; I308-R312 VanDerWaalsContact O-CG 3.31Å; I308-R312 WeakPolarHBondContact O-CG 3.45Å; I308-R312 PolarHBondContact O-N 3.08Å
309	P	98.9	Very high	96.2	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.039	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-30.6	176.8	-25.4	37.9	0	0	0	113.9	R217 A220 D306 R313	R217-P309 HydrophobicContact CB-CG 4.36Å; R217-P309 HydrophobicContact CG-CG 3.71Å; A220-P309 HydrophobicContact CB-CB 3.55Å; D306-P309 WeakPolarHBondContact O-CD 3.4Å; P309-R313 WeakPolarHBondContact O-CG 3.28Å; P309-R313 PolarHBondContact O-NH1 2.96Å
310	F	98.9	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-81.6	-44.9	178.5	-63.2	-91.6	0	0	0	111.5	F198 A220 M223 L238 M241 L244 D306 H307 I308 R312 R313 G314 V315 I317	F198-F310 AromaticContact CE1-CE2 3.76Å; F198-F310 HydrophobicContact CE1-CE2 3.76Å; F198-F310 AromaticContact CE1-CZ 3.84Å; F198-F310 HydrophobicContact CE1-CZ 3.84Å; F198-F310 HydrophobicContact CE2-CE2 4.48Å; F198-F310 HydrophobicContact CZ-CD2 4.48Å; F198-F310 AromaticContact CZ-CE2 3.44Å; F198-F310 HydrophobicContact CZ-CE2 3.44Å; F198-F310 VanDerWaalsContact CZ-CE2 3.44Å; F198-F310 AromaticContact CZ-CZ 3.7Å; F198-F310 HydrophobicContact CZ-CZ 3.7Å; A220-F310 HydrophobicContact CB-CD1 3.95Å; A220-F310 HydrophobicContact CB-CD2 4.04Å; A220-F310 HydrophobicContact CB-CE1 3.82Å; A220-F310 HydrophobicContact CB-CE2 3.91Å; A220-F310 HydrophobicContact CB-CG 4.06Å; A220-F310 HydrophobicContact CB-CZ 3.8Å; M223-F310 HydrophobicContact SD-CE1 3.91Å; L238-F310 HydrophobicContact CD2-CD1 3.68Å; L238-F310 HydrophobicContact CD2-CE1 3.93Å; M241-F310 HydrophobicContact CE-CD1 3.81Å; M241-F310 HydrophobicContact CE-CE1 3.88Å; M241-F310 HydrophobicContact SD-CD1 3.62Å; M241-F310 HydrophobicContact SD-CE1 3.76Å; L244-F310 HydrophobicContact CD2-CB 3.96Å; L244-F310 HydrophobicContact CD2-CD1 4.46Å; L244-F310 HydrophobicContact CD2-CD2 3.84Å; L244-F310 HydrophobicContact CD2-CE2 4.46Å; L244-F310 HydrophobicContact CD2-CG 3.84Å; D306-F310 VanDerWaalsContact O-CD2 3.31Å; D306-F310 WeakPolarHBondContact O-CD2 3.43Å; H307-F310 PolarHBondContact O-N 3.04Å; I308-F310 VanDerWaalsContact C-N 3.26Å; I308-F310 PolarHBondContact O-N 2.68Å; F310-R312 VanDerWaalsContact C-N 3.33Å; F310-R312 PolarHBondContact O-N 3.21Å; F310-R313 CarbonylContact O-C 3.57Å; F310-R313 WeakPolarHBondContact O-CA 3.43Å; F310-R313 PolarHBondContact O-N 2.97Å; F310-G314 PolarHBondContact O-N 2.68Å; F310-V315 HydrophobicContact CB-CB 3.98Å; F310-V315 HydrophobicContact CB-CG1 4.44Å; F310-V315 HydrophobicContact CB-CG2 4.09Å; F310-V315 HydrophobicContact CD1-CG2 4.42Å; F310-V315 PolarHBondContact O-N 3.02Å; F310-I317 HydrophobicContact CB-CD1 4.18Å
311	L	98.6	Very high	97.7	Very high	50 Å²	50	34.8 Å²	34.8	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-55.5	-47.3	176.1	-179.8	64.9	0	0	0	111.3	F261 H307 I308 R313 G314 I317	F261-L311 HydrophobicContact CD1-CD1 4.29Å; F261-L311 HydrophobicContact CE1-CD1 4.11Å; F261-L311 HydrophobicContact CE1-CD2 3.59Å; F261-L311 HydrophobicContact CZ-CD1 4.48Å; F261-L311 HydrophobicContact CZ-CD2 3.81Å; H307-L311 WeakPolarHBondContact O-CB 3.4Å; H307-L311 PolarHBondContact O-N 2.96Å; I308-L311 HydrophobicContact CD1-CD2 4.44Å; I308-L311 PolarHBondContact O-N 3.25Å; L311-R313 PolarHBondContact O-N 3.36Å; L311-G314 PolarHBondContact O-N 3.32Å; L311-I317 HydrophobicContact CB-CD1 4.44Å; L311-I317 HydrophobicContact CB-CG1 3.87Å; L311-I317 HydrophobicContact CD1-CG1 3.81Å; L311-I317 HydrophobicContact CG-CG1 4.37Å
312	R	98.5	Very high	98.2	Very high	192 Å²	192	33.1 Å²	33.1	73%	0.725	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.1	177.5	-74.6	177.9	174.7	173.9	1.1	113.7	I308 F310	I308-R312 HydrophobicContact CG2-CG 4.46Å; I308-R312 WeakPolarHBondContact O-CB 3.42Å; I308-R312 VanDerWaalsContact O-CG 3.31Å; I308-R312 WeakPolarHBondContact O-CG 3.45Å; I308-R312 PolarHBondContact O-N 3.08Å; F310-R312 VanDerWaalsContact C-N 3.33Å; F310-R312 PolarHBondContact O-N 3.21Å
313	R	98.6	Very high	98.5	Very high	116 Å²	116	28.7 Å²	28.7	44%	0.438	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	11.4	177.6	-65.3	177	174.2	81.3	-4.6	112.7	L238 P309 F310 L311	L238-R313 HydrophobicContact CD1-CB 3.66Å; L238-R313 VanDerWaalsContact CD1-CD 3.46Å; L238-R313 HydrophobicContact CD1-CG 4.19Å; P309-R313 WeakPolarHBondContact O-CG 3.28Å; P309-R313 PolarHBondContact O-NH1 2.96Å; F310-R313 CarbonylContact O-C 3.57Å; F310-R313 WeakPolarHBondContact O-CA 3.43Å; F310-R313 PolarHBondContact O-N 2.97Å; L311-R313 PolarHBondContact O-N 3.36Å
314	G	98.3	Very high	98.6	Very high	57 Å²	57	32.4 Å²	32.4	59%	0.588	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	11.7	171.8	0	0	0	0	0	115.4	F310 L311	F310-G314 PolarHBondContact O-N 2.68Å; L311-G314 PolarHBondContact O-N 3.32Å
315	V	98.8	Very high	98.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	16%	0.162	C	C	.	.			trans	-71.4	129.6	172.7	-179.7	0	0	0	0	109.2	L238 M241 L244 F310 I317	L238-V315 HydrophobicContact CB-CG2 4.22Å; L238-V315 HydrophobicContact CD2-CG2 4.07Å; M241-V315 HydrophobicContact CB-CG1 3.84Å; M241-V315 HydrophobicContact CB-CG2 4.36Å; M241-V315 HydrophobicContact CE-CG1 4.35Å; M241-V315 HydrophobicContact SD-CG1 4.34Å; M241-V315 HydrophobicContact SD-CG2 4.19Å; L244-V315 HydrophobicContact CB-CG1 4.07Å; F310-V315 HydrophobicContact CB-CB 3.98Å; F310-V315 HydrophobicContact CB-CG1 4.44Å; F310-V315 HydrophobicContact CB-CG2 4.09Å; F310-V315 HydrophobicContact CD1-CG2 4.42Å; F310-V315 PolarHBondContact O-N 3.02Å; V315-I317 HydrophobicContact CB-CD1 4.3Å; V315-I317 HydrophobicContact CG1-CD1 4.14Å; V315-I317 WeakPolarHBondContact O-CD1 3.47Å; V315-I317 WeakPolarHBondContact O-CG1 3.37Å
316	P	98.7	Very high	98.6	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.091	17%	0.165	C	C	.	.			trans	-63.5	132.7	171.2	-21.1	33.9	0	0	0	110.9	L243 L244	L243-P316 HydrophobicContact CD1-CB 3.98Å; L244-P316 PolarHBondContact N-O 2.89Å
317	I	98.8	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133	-175.7	-52.6	-54.4	0	0	0	110	L244 F261 S264 H307 F310 L311 V315 H319	L244-I317 HydrophobicContact CB-CD1 3.78Å; L244-I317 HydrophobicContact CD2-CD1 3.86Å; L244-I317 HydrophobicContact CG-CD1 4.2Å; L244-I317 CarbonylContact O-C 3.58Å; L244-I317 WeakPolarHBondContact O-CA 3.44Å; F261-I317 HydrophobicContact CD2-CB 3.86Å; F261-I317 HydrophobicContact CD2-CG2 4.14Å; F261-I317 WeakPolarHBondContact CD2-O 3.33Å; F261-I317 HydrophobicContact CE2-CB 3.77Å; F261-I317 HydrophobicContact CE2-CG2 3.69Å; S264-I317 WeakPolarHBondContact CB-O 3.49Å; S264-I317 PolarHBondContact OG-O 3.38Å; H307-I317 HydrophobicContact CB-CD1 4.04Å; H307-I317 HydrophobicContact CB-CG1 4.15Å; H307-I317 HydrophobicContact CB-CG2 3.6Å; F310-I317 HydrophobicContact CB-CD1 4.18Å; L311-I317 HydrophobicContact CB-CD1 4.44Å; L311-I317 HydrophobicContact CB-CG1 3.87Å; L311-I317 HydrophobicContact CD1-CG1 3.81Å; L311-I317 HydrophobicContact CG-CG1 4.37Å; V315-I317 HydrophobicContact CB-CD1 4.3Å; V315-I317 HydrophobicContact CG1-CD1 4.14Å; V315-I317 WeakPolarHBondContact O-CD1 3.47Å; V315-I317 WeakPolarHBondContact O-CG1 3.37Å; I317-H319 HydrophobicContact CG2-CB 4.05Å
318	L	98.8	Very high	98.5	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	98.1	162.5	-174.5	62.3	0	0	0	107.5	L243 L244 V245 L246 W267 F268 L271 L320 F354	L243-L318 HydrophobicContact CD1-CB 4.07Å; L243-L318 HydrophobicContact CD2-CB 4.2Å; L243-L318 HydrophobicContact CD2-CD2 4.24Å; L243-L318 HydrophobicContact CG-CB 4.28Å; L244-L318 PolarHBondContact O-N 2.8Å; V245-L318 VanDerWaalsContact CA-O 3.32Å; V245-L318 WeakPolarHBondContact CA-O 3.41Å; V245-L318 HydrophobicContact CG1-CD2 4.39Å; V245-L318 HydrophobicContact CG2-CB 4.27Å; V245-L318 HydrophobicContact CG2-CD2 4.24Å; L246-L318 PolarHBondContact N-O 2.88Å; W267-L318 HydrophobicContact CB-CD2 4.17Å; F268-L318 HydrophobicContact CB-CD1 3.83Å; F268-L318 HydrophobicContact CD2-CD1 4.08Å; F268-L318 HydrophobicContact CG-CD1 4.48Å; L271-L318 HydrophobicContact CD1-CD2 3.71Å; L271-L318 HydrophobicContact CD1-CG 4.34Å; L318-L320 HydrophobicContact CD1-CD2 4.42Å; L318-L320 HydrophobicContact CG-CD2 3.95Å; L318-L320 PolarHBondContact O-N 3.29Å; L318-F354 HydrophobicContact CD2-CE2 4.34Å; L318-F354 HydrophobicContact CD2-CZ 3.98Å
319	H	98.8	Very high	98.5	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	104.7	-173.7	-169.2	-173.6	0	0	0	109.9	F260 F261 D305 H307 I317 I321	F260-H319 HydrophobicContact CD2-CB 3.93Å; F260-H319 WeakPolarHBondContact CD2-O 3.35Å; F260-H319 HydrophobicContact CE2-CB 4.31Å; F260-H319 WeakPolarHBondContact CE2-O 3.48Å; F261-H319 HydrophobicContact CE2-CB 4.07Å; D305-H319 IonicContact OD2-CD2 3.43Å; D305-H319 IonicContact OD2-CE1 3.5Å; D305-H319 PolarHBondContact OD2-CE1 3.47Å; D305-H319 IonicContact OD2-NE2 3.46Å; D305-H319 PolarHBondContact OD2-NE2 3.34Å; H307-H319 AromaticContact CE1-CE1 3.42Å; H307-H319 PolarHBondContact CE1-CE1 3.43Å; H307-H319 VanDerWaalsContact CE1-CE1 3.42Å; H307-H319 AromaticContact CE1-ND1 3.26Å; H307-H319 PolarHBondContact CE1-ND1 3.25Å; H307-H319 VanDerWaalsContact CE1-ND1 3.26Å; H307-H319 AromaticContact ND1-CE1 3.46Å; H307-H319 PolarHBondContact ND1-CE1 2.86Å; H307-H319 AromaticContact ND1-CG 3.97Å; H307-H319 AromaticContact ND1-ND1 3.47Å; H307-H319 PolarHBondContact ND1-ND1 2.81Å; H307-H319 AromaticContact ND1-NE2 3.93Å; I317-H319 HydrophobicContact CG2-CB 4.05Å; H319-I321 VanDerWaalsContact C-N 3.32Å; H319-I321 WeakPolarHBondContact CE1-CG2 3.35Å; H319-I321 WeakPolarHBondContact NE2-CB 3.18Å; H319-I321 WeakPolarHBondContact NE2-CG2 3.37Å; H319-I321 PolarHBondContact O-N 2.75Å
320	L	98.9	Very high	98.5	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.047	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	68.5	179.1	-55.3	-169	0	0	0	109.6	V245 L246 D248 I250 F257 L271 F294 L318 L351	V245-L320 HydrophobicContact CG1-CD1 3.67Å; V245-L320 HydrophobicContact CG1-CG 3.97Å; L246-L320 WeakPolarHBondContact O-CA 3.22Å; L246-L320 WeakPolarHBondContact O-CB 3.49Å; L246-L320 PolarHBondContact O-N 3.46Å; D248-L320 PolarHBondContact N-O 3.36Å; I250-L320 HydrophobicContact CD1-CB 4.49Å; F257-L320 HydrophobicContact CD1-CB 4.31Å; F257-L320 HydrophobicContact CE1-CB 4.28Å; L271-L320 HydrophobicContact CD1-CD1 4.29Å; L271-L320 HydrophobicContact CD1-CD2 3.72Å; F294-L320 HydrophobicContact CE1-CD2 4.06Å; L318-L320 HydrophobicContact CD1-CD2 4.42Å; L318-L320 HydrophobicContact CG-CD2 3.95Å; L318-L320 PolarHBondContact O-N 3.29Å; L320-L351 HydrophobicContact CD1-CD1 4.45Å
321	I	98.6	Very high	98.4	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.256	C	S	.	.			trans	-118.1	132.6	170.2	-164.4	174	0	0	0	109	D248 L249 F257 F260 I303 H319 F325	D248-I321 HydrophobicContact CB-CB 4.36Å; D248-I321 HydrophobicContact CB-CD1 4.14Å; D248-I321 HydrophobicContact CB-CG1 4.14Å; D248-I321 VanDerWaalsContact OD2-CD1 3.25Å; D248-I321 WeakPolarHBondContact OD2-CD1 3.44Å; L249-I321 HydrophobicContact CB-CG1 4.21Å; L249-I321 HydrophobicContact CD1-CD1 3.94Å; L249-I321 HydrophobicContact CD1-CG1 4.15Å; L249-I321 HydrophobicContact CG-CD1 4.13Å; L249-I321 HydrophobicContact CG-CG1 4.15Å; F257-I321 VanDerWaalsContact CD1-C 3.47Å; F260-I321 HydrophobicContact CE2-CG2 3.81Å; F260-I321 HydrophobicContact CZ-CG2 3.67Å; I303-I321 HydrophobicContact CD1-CG2 3.9Å; I303-I321 HydrophobicContact CG2-CD1 4.08Å; H319-I321 VanDerWaalsContact C-N 3.32Å; H319-I321 WeakPolarHBondContact CE1-CG2 3.35Å; H319-I321 WeakPolarHBondContact NE2-CB 3.18Å; H319-I321 WeakPolarHBondContact NE2-CG2 3.37Å; H319-I321 PolarHBondContact O-N 2.75Å; I321-F325 HydrophobicContact CD1-CD1 4.33Å; I321-F325 HydrophobicContact CD1-CE1 3.5Å; I321-F325 VanDerWaalsContact CD1-CE1 3.5Å; I321-F325 HydrophobicContact CD1-CZ 3.81Å; I321-F325 HydrophobicContact CG1-CD1 4.39Å; I321-F325 HydrophobicContact CG1-CE1 3.9Å
322	P	98.4	Very high	98.4	Very high	3 Å²	3	50 Å²	50	2%	0.019	25%	0.25	C	C	.	.			trans	-69.1	153.8	177.7	29.9	-35.9	0	0	0	111.7	D248 L249 P255 M256 F257 P324 F325	D248-P322 WeakPolarHBondContact O-CD 3Å; L249-P322 HydrophobicContact CB-CG 4.2Å; L249-P322 WeakPolarHBondContact O-CG 3.35Å; P255-P322 HydrophobicContact CB-CB 4.01Å; M256-P322 CarbonylContact O-C 3.57Å; M256-P322 VanDerWaalsContact O-CA 3.29Å; M256-P322 WeakPolarHBondContact O-CA 3.33Å; F257-P322 HydrophobicContact CE1-CB 4.43Å; P322-P324 CarbonylContact C-O 3.59Å; P322-F325 VanDerWaalsContact O-CD1 3.27Å; P322-F325 WeakPolarHBondContact O-CD1 3.33Å
323	S	97.4	Very high	98.4	Very high	24 Å²	24	44.2 Å²	44.2	17%	0.168	23%	0.233	C	C	.	.	S	Bend	trans	-135.6	116.9	167.2	169.6	0	0	0	0	108.7	M256 Y297 Y299	M256-S323 PolarHBondContact O-N 3.36Å; Y297-S323 PolarHBondContact OH-O 2.93Å; Y299-S323 WeakPolarHBondContact CE2-OG 3.45Å
324	P	97.6	Very high	98.4	Very high	95 Å²	95	38.7 Å²	38.7	62%	0.617	21%	0.213	S	C	*	.	S	Bend	cis	-67.8	165.2	2.2	31.7	-36.8	0	0	0	113.2	P322	P322-P324 CarbonylContact C-O 3.59Å
325	F	98.5	Very high	98.4	Very high	64 Å²	64	37.3 Å²	37.3	28%	0.281	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-64.1	158.5	169.8	-65.3	-10.7	0	0	0	111	L249 I303 I321 P322 W329	L249-F325 HydrophobicContact CD1-CB 3.91Å; L249-F325 HydrophobicContact CD1-CD1 3.59Å; L249-F325 HydrophobicContact CD1-CD2 3.71Å; L249-F325 HydrophobicContact CD1-CE1 3.94Å; L249-F325 HydrophobicContact CD1-CE2 4.04Å; L249-F325 HydrophobicContact CD1-CG 3.47Å; L249-F325 VanDerWaalsContact CD1-CG 3.47Å; L249-F325 HydrophobicContact CD1-CZ 4.15Å; I303-F325 HydrophobicContact CD1-CE1 4Å; I303-F325 HydrophobicContact CD1-CZ 4.33Å; I303-F325 HydrophobicContact CG2-CZ 4.02Å; I321-F325 HydrophobicContact CD1-CD1 4.33Å; I321-F325 HydrophobicContact CD1-CE1 3.5Å; I321-F325 VanDerWaalsContact CD1-CE1 3.5Å; I321-F325 HydrophobicContact CD1-CZ 3.81Å; I321-F325 HydrophobicContact CG1-CD1 4.39Å; I321-F325 HydrophobicContact CG1-CE1 3.9Å; P322-F325 VanDerWaalsContact O-CD1 3.27Å; P322-F325 WeakPolarHBondContact O-CD1 3.33Å; F325-W329 HydrophobicContact CB-CB 4.21Å; F325-W329 HydrophobicContact CB-CG 4.27Å; F325-W329 AromaticContact CD2-CD2 3.84Å; F325-W329 HydrophobicContact CD2-CD2 3.84Å; F325-W329 AromaticContact CD2-CE2 3.82Å; F325-W329 HydrophobicContact CD2-CE3 4.26Å; F325-W329 HydrophobicContact CD2-CG 4.14Å; F325-W329 HydrophobicContact CD2-CZ2 4.18Å; F325-W329 HydrophobicContact CE2-CZ2 4.11Å
326	P	98.6	Very high	98.4	Very high	13 Å²	13	40.4 Å²	40.4	8%	0.084	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-49.2	141	172.2	-29.2	37.5	0	0	0	112	L249 A252 V328 W329	L249-P326 HydrophobicContact CB-CG 4.07Å; A252-P326 HydrophobicContact CB-CB 3.73Å; A252-P326 HydrophobicContact CB-CG 3.89Å; P326-V328 HydrophobicContact CB-CG2 3.95Å; P326-V328 PolarHBondContact O-N 2.66Å; P326-V328 VanDerWaalsContact O-N 3.07Å; P326-W329 WeakPolarHBondContact O-CB 3.44Å; P326-W329 PolarHBondContact O-N 3.2Å
327	E	98.5	Very high	98.4	Very high	201 Å²	201	48 Å²	48	94%	0.939	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25	178.1	-64.8	-174.7	174	0	0	112.6
328	V	98.5	Very high	98.4	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.145	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.6	178.7	-62.8	0	0	0	0	114.1	P326 H330 T331 D333 D334 N338	P326-V328 HydrophobicContact CB-CG2 3.95Å; P326-V328 PolarHBondContact O-N 2.66Å; P326-V328 VanDerWaalsContact O-N 3.07Å; V328-H330 PolarHBondContact O-N 3.34Å; V328-T331 WeakPolarHBondContact O-CB 3.49Å; V328-T331 PolarHBondContact O-N 3.26Å; V328-T331 PolarHBondContact O-OG1 3.31Å; V328-D333 HydrophobicContact CB-CB 4.39Å; V328-D333 HydrophobicContact CG1-CB 3.94Å; V328-D334 HydrophobicContact CB-CB 4.15Å; V328-D334 HydrophobicContact CG2-CB 3.94Å; V328-N338 HydrophobicContact CG1-CB 4.34Å
329	W	98.5	Very high	98.4	Very high	99 Å²	99	52.3 Å²	52.3	38%	0.375	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	130.3	-175.2	176.8	70.4	0	0	0	112.7	L249 F325 P326 T331	L249-W329 HydrophobicContact CD1-CG 4.31Å; F325-W329 HydrophobicContact CB-CB 4.21Å; F325-W329 HydrophobicContact CB-CG 4.27Å; F325-W329 AromaticContact CD2-CD2 3.84Å; F325-W329 HydrophobicContact CD2-CD2 3.84Å; F325-W329 AromaticContact CD2-CE2 3.82Å; F325-W329 HydrophobicContact CD2-CE3 4.26Å; F325-W329 HydrophobicContact CD2-CG 4.14Å; F325-W329 HydrophobicContact CD2-CZ2 4.18Å; F325-W329 HydrophobicContact CE2-CZ2 4.11Å; P326-W329 WeakPolarHBondContact O-CB 3.44Å; P326-W329 PolarHBondContact O-N 3.2Å; W329-T331 PolarHBondContact O-N 2.93Å
330	H	97.6	Very high	98.4	Very high	48 Å²	48	54.6 Å²	54.6	22%	0.222	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	27.5	-175.7	-70.6	-176.5	0	0	0	114.9	F146 D159 E202 V328	F146-H330 HydrophobicContact CZ-CB 4.19Å; D159-H330 IonicContact OD2-CD2 2.7Å; D159-H330 PolarHBondContact OD2-CD2 3.01Å; D159-H330 IonicContact OD2-NE2 3.17Å; E202-H330 IonicContact OE1-CD2 2.93Å; E202-H330 IonicContact OE1-CE1 3.27Å; E202-H330 IonicContact OE1-NE2 2.69Å; E202-H330 PolarHBondContact OE1-NE2 3.44Å; E202-H330 IonicContact OE2-NE2 3.63Å; V328-H330 PolarHBondContact O-N 3.34Å
331	T	98	Very high	98.4	Very high	52 Å²	52	58.6 Å²	58.6	32%	0.319	29%	0.294	S	S	.	.	S	Bend	trans	-117.6	159.7	172	78.3	0	0	0	0	110.8	F154 V328 W329 D333 D334	F154-T331 VanDerWaalsContact CD2-O 3.24Å; F154-T331 WeakPolarHBondContact CD2-O 3.39Å; F154-T331 VanDerWaalsContact CE2-O 3.24Å; F154-T331 WeakPolarHBondContact CE2-O 3.5Å; V328-T331 WeakPolarHBondContact O-CB 3.49Å; V328-T331 PolarHBondContact O-N 3.26Å; V328-T331 PolarHBondContact O-OG1 3.31Å; W329-T331 PolarHBondContact O-N 2.93Å; T331-D333 PolarHBondContact O-N 3.05Å; T331-D333 VanDerWaalsContact O-N 3.09Å; T331-D333 PolarHBondContact OG1-N 3.29Å; T331-D334 PolarHBondContact O-N 3.33Å; T331-D334 VanDerWaalsContact O-N 3.08Å
332	M	97.8	Very high	98.4	Very high	29 Å²	29	59.5 Å²	59.5	14%	0.143	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.1	174.5	-61	-64.9	178.7	0	0	112.8	F146 W149 R152 F154 D334	F146-M332 HydrophobicContact CB-CE 4Å; W149-M332 HydrophobicContact CB-CE 4.31Å; R152-M332 HydrophobicContact CB-CB 4.33Å; R152-M332 HydrophobicContact CB-CG 4.22Å; R152-M332 HydrophobicContact CB-SD 4.3Å; R152-M332 PolarHBondContact NH2-O 3.35Å; F154-M332 HydrophobicContact CB-CE 4.43Å; F154-M332 HydrophobicContact CB-SD 3.84Å; F154-M332 PolarHBondContact N-SD 3.45Å; F154-M332 VanDerWaalsContact N-SD 3.37Å; M332-D334 VanDerWaalsContact C-N 3.25Å
333	D	98.3	Very high	98.4	Very high	71 Å²	71	59.8 Å²	59.8	38%	0.38	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5	177.6	-60.6	-35.5	0	0	0	112.2	R152 V328 T331 N335 N338	R152-D333 IonicContact CZ-OD1 3.65Å; R152-D333 VanDerWaalsContact CZ-OD1 3.24Å; R152-D333 IonicContact NH1-OD1 2.81Å; R152-D333 PolarHBondContact NH1-OD1 3.46Å; R152-D333 IonicContact NH2-OD1 3.17Å; R152-D333 PolarHBondContact NH2-OD1 3.28Å; V328-D333 HydrophobicContact CB-CB 4.39Å; V328-D333 HydrophobicContact CG1-CB 3.94Å; T331-D333 PolarHBondContact O-N 3.05Å; T331-D333 VanDerWaalsContact O-N 3.09Å; T331-D333 PolarHBondContact OG1-N 3.29Å; D333-N335 PolarHBondContact O-N 3.45Å; D333-N335 PolarHBondContact O-OD1 3.39Å; D333-N338 PolarHBondContact O-ND2 2.86Å
334	D	98.7	Very high	98.5	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.294	C	S	.	.			trans	-75.3	77	165.7	-172.8	16.8	0	0	0	110.3	F154 G156 A157 T158 D159 V328 T331 M332	F154-D334 HydrophobicContact CE2-CB 3.99Å; G156-D334 WeakPolarHBondContact CA-OD2 3.39Å; A157-D334 PolarHBondContact N-O 3.49Å; A157-D334 PolarHBondContact N-OD1 3.35Å; A157-D334 PolarHBondContact N-OD2 3.49Å; T158-D334 WeakPolarHBondContact CG2-OD1 3.35Å; T158-D334 PolarHBondContact N-OD1 2.94Å; T158-D334 PolarHBondContact N-OD2 2.92Å; T158-D334 VanDerWaalsContact OG1-CG 3.31Å; T158-D334 PolarHBondContact OG1-OD1 3.31Å; T158-D334 PolarHBondContact OG1-OD2 3.06Å; T158-D334 VanDerWaalsContact OG1-OD2 3.1Å; D159-D334 VanDerWaalsContact CB-OD2 3.28Å; D159-D334 WeakPolarHBondContact CB-OD2 3.34Å; V328-D334 HydrophobicContact CB-CB 4.15Å; V328-D334 HydrophobicContact CG2-CB 3.94Å; T331-D334 PolarHBondContact O-N 3.33Å; T331-D334 VanDerWaalsContact O-N 3.08Å; M332-D334 VanDerWaalsContact C-N 3.25Å
335	N	98.6	Very high	98.5	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.144	27%	0.266	C	S	.	.	S	Bend	trans	-136.8	176.6	-169.8	66.2	31.8	0	0	0	111	V155 A157 D333 E337 N338	V155-N335 HydrophobicContact CG2-CB 4.48Å; A157-N335 VanDerWaalsContact CB-C 3.45Å; A157-N335 WeakPolarHBondContact CB-O 3.45Å; D333-N335 PolarHBondContact O-N 3.45Å; D333-N335 PolarHBondContact O-OD1 3.39Å; N335-E337 VanDerWaalsContact C-N 3.29Å; N335-E337 PolarHBondContact O-N 3.17Å; N335-E337 PolarHBondContact OD1-N 2.99Å; N335-E337 VanDerWaalsContact OD1-N 3.09Å; N335-N338 PolarHBondContact O-N 3.14Å; N335-N338 PolarHBondContact OD1-N 3.32Å; N335-N338 PolarHBondContact OD1-ND2 2.92Å
336	E	98.8	Very high	98.6	Very high	67 Å²	67	51.2 Å²	51.2	31%	0.313	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59.5	-35.8	-178.2	-162.5	172.2	169.8	0	0	113.7	W66 Q71 L74 N338 L339	W66-E336 HydrophobicContact CZ2-CG 3.74Å; W66-E336 PolarHBondContact NE1-OE1 2.92Å; Q71-E336 WeakPolarHBondContact CG-OE1 3.38Å; Q71-E336 PolarHBondContact NE2-OE1 2.76Å; L74-E336 HydrophobicContact CD1-CB 3.71Å; L74-E336 HydrophobicContact CD1-CG 3.66Å; L74-E336 WeakPolarHBondContact CD1-OE2 3.13Å; E336-N338 VanDerWaalsContact C-N 3.28Å; E336-N338 PolarHBondContact O-N 3.24Å; E336-L339 PolarHBondContact O-N 2.8Å
337	E	98.6	Very high	98.6	Very high	174 Å²	174	51 Å²	51	81%	0.813	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-69.5	-26.8	-173.8	-61.6	-178.5	173.2	0	0	112.7	N335	N335-E337 VanDerWaalsContact C-N 3.29Å; N335-E337 PolarHBondContact O-N 3.17Å; N335-E337 PolarHBondContact OD1-N 2.99Å; N335-E337 VanDerWaalsContact OD1-N 3.09Å
338	N	98.7	Very high	98.6	Very high	74 Å²	74	41.4 Å²	41.4	40%	0.396	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-96	6.8	-178.3	-69.4	-50.1	0	0	0	113.6	V328 D333 N335 E336	V328-N338 HydrophobicContact CG1-CB 4.34Å; D333-N338 PolarHBondContact O-ND2 2.86Å; N335-N338 PolarHBondContact O-N 3.14Å; N335-N338 PolarHBondContact OD1-N 3.32Å; N335-N338 PolarHBondContact OD1-ND2 2.92Å; E336-N338 VanDerWaalsContact C-N 3.28Å; E336-N338 PolarHBondContact O-N 3.24Å
339	L	98.9	Very high	98.6	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.099	20%	0.201	C	C	.	.			trans	-79.7	143.5	173.8	-65.8	-177.8	0	0	0	111.6	W66 L70 A157 T158 V162 G251 E336 I344	W66-L339 HydrophobicContact CH2-CB 3.58Å; W66-L339 HydrophobicContact CH2-CD1 3.88Å; W66-L339 HydrophobicContact CH2-CG 4.4Å; W66-L339 HydrophobicContact CZ2-CB 4.28Å; W66-L339 HydrophobicContact CZ2-CD1 4.11Å; W66-L339 HydrophobicContact CZ3-CB 4.4Å; L70-L339 HydrophobicContact CD2-CD1 3.78Å; A157-L339 HydrophobicContact CB-CD1 4.23Å; A157-L339 HydrophobicContact CB-CD2 4Å; A157-L339 HydrophobicContact CB-CG 4.21Å; T158-L339 HydrophobicContact CG2-CD2 3.64Å; V162-L339 HydrophobicContact CG2-CD1 3.57Å; V162-L339 HydrophobicContact CG2-CD2 3.79Å; V162-L339 HydrophobicContact CG2-CG 4.33Å; G251-L339 WeakPolarHBondContact O-CA 3.36Å; E336-L339 PolarHBondContact O-N 2.8Å; L339-I344 HydrophobicContact CB-CD1 4.18Å; L339-I344 HydrophobicContact CD1-CD1 4.43Å
340	D	98.8	Very high	98.6	Very high	51 Å²	51	36 Å²	36	27%	0.273	18%	0.183	S	C	.	.			trans	-100.7	101	174.8	-171.5	-77.7	0	0	0	110.5	G251 P253 S342 T343 I344	G251-D340 PolarHBondContact O-N 2.85Å; P253-D340 HydrophobicContact CB-CB 3.9Å; D340-S342 VanDerWaalsContact C-N 3.33Å; D340-S342 PolarHBondContact O-N 2.89Å; D340-S342 PolarHBondContact OD1-N 2.69Å; D340-T343 VanDerWaalsContact CG-OG1 3.27Å; D340-T343 PolarHBondContact O-N 3.17Å; D340-T343 WeakPolarHBondContact OD1-CB 3.36Å; D340-T343 PolarHBondContact OD1-N 3.44Å; D340-T343 PolarHBondContact OD1-OG1 2.68Å; D340-I344 WeakPolarHBondContact O-CG1 3.18Å; D340-I344 PolarHBondContact O-N 2.65Å; D340-I344 VanDerWaalsContact O-N 3.12Å
341	E	98.8	Very high	98.7	Very high	93 Å²	93	34 Å²	34	44%	0.435	17%	0.174	S	C	.	.	H	α-helix	trans	-57	-43.7	-176.2	-173.3	-175.1	158.3	0	0	112.6	I62 W66 I344 D345	I62-E341 HydrophobicContact CD1-CG 4.48Å; I62-E341 HydrophobicContact CG1-CG 3.48Å; I62-E341 VanDerWaalsContact CG1-CG 3.48Å; I62-E341 HydrophobicContact CG2-CG 4.21Å; I62-E341 WeakPolarHBondContact CG2-OE1 3.43Å; W66-E341 HydrophobicContact CE3-CG 4.27Å; W66-E341 HydrophobicContact CH2-CB 4.48Å; W66-E341 HydrophobicContact CZ3-CB 3.96Å; W66-E341 HydrophobicContact CZ3-CG 4.09Å; E341-I344 PolarHBondContact O-N 3.18Å; E341-D345 WeakPolarHBondContact O-CB 3.34Å; E341-D345 PolarHBondContact O-N 2.83Å
342	S	98.7	Very high	98.8	Very high	21 Å²	21	31.6 Å²	31.6	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-43.4	-179.2	-74.5	0	0	0	0	111.6	D286 D340 I344 D345 N346	D286-S342 WeakPolarHBondContact OD2-CB 3.27Å; D286-S342 PolarHBondContact OD2-OG 3.38Å; D340-S342 VanDerWaalsContact C-N 3.33Å; D340-S342 PolarHBondContact O-N 2.89Å; D340-S342 PolarHBondContact OD1-N 2.69Å; S342-I344 PolarHBondContact O-N 3.28Å; S342-D345 PolarHBondContact O-N 3.22Å; S342-N346 WeakPolarHBondContact O-CB 3.24Å; S342-N346 PolarHBondContact O-N 3.13Å; S342-N346 PolarHBondContact O-ND2 3.43Å
343	T	98.8	Very high	98.8	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-45.8	176	-63.1	0	0	0	0	110.8	P255 Y293 D340 N346 L347	P255-T343 HydrophobicContact CG-CG2 3.66Å; Y293-T343 HydrophobicContact CE1-CG2 4.21Å; D340-T343 VanDerWaalsContact CG-OG1 3.27Å; D340-T343 PolarHBondContact O-N 3.17Å; D340-T343 WeakPolarHBondContact OD1-CB 3.36Å; D340-T343 PolarHBondContact OD1-N 3.44Å; D340-T343 PolarHBondContact OD1-OG1 2.68Å; T343-N346 PolarHBondContact O-N 2.85Å; T343-L347 HydrophobicContact CG2-CD1 4.02Å; T343-L347 WeakPolarHBondContact O-CG 3.35Å; T343-L347 PolarHBondContact O-N 2.93Å
344	I	98.9	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-43	179.4	-58.6	163.2	0	0	0	111.1	I62 M65 W66 V162 M166 L339 D340 E341 S342 N346 L347 N348	I62-I344 HydrophobicContact CD1-CB 4.05Å; I62-I344 HydrophobicContact CD1-CG2 3.77Å; M65-I344 HydrophobicContact CE-CG2 3.59Å; W66-I344 HydrophobicContact CZ3-CD1 4.03Å; V162-I344 HydrophobicContact CG1-CD1 3.92Å; V162-I344 HydrophobicContact CG1-CG1 3.94Å; V162-I344 HydrophobicContact CG1-CG2 3.96Å; V162-I344 HydrophobicContact CG2-CD1 3.94Å; M166-I344 HydrophobicContact CG-CG2 4.12Å; M166-I344 HydrophobicContact SD-CG2 4.35Å; L339-I344 HydrophobicContact CB-CD1 4.18Å; L339-I344 HydrophobicContact CD1-CD1 4.43Å; D340-I344 WeakPolarHBondContact O-CG1 3.18Å; D340-I344 PolarHBondContact O-N 2.65Å; D340-I344 VanDerWaalsContact O-N 3.12Å; E341-I344 PolarHBondContact O-N 3.18Å; S342-I344 PolarHBondContact O-N 3.28Å; I344-N346 VanDerWaalsContact C-N 3.29Å; I344-N346 PolarHBondContact O-N 2.78Å; I344-L347 PolarHBondContact O-N 2.9Å; I344-N348 WeakPolarHBondContact O-CB 3.47Å; I344-N348 PolarHBondContact O-N 2.89Å; I344-N348 PolarHBondContact O-ND2 3.15Å
345	D	98.9	Very high	98.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-42.4	174.3	-173.3	33.6	0	0	0	111.3	I62 K285 E341 S342 N348 K349	I62-D345 HydrophobicContact CB-CB 3.89Å; I62-D345 HydrophobicContact CD1-CB 4.48Å; I62-D345 HydrophobicContact CG1-CB 4.08Å; I62-D345 HydrophobicContact CG2-CB 4.15Å; K285-D345 WeakPolarHBondContact CE-OD2 3.27Å; K285-D345 IonicContact NZ-OD2 3.88Å; K285-D345 PolarHBondContact NZ-OD2 2.98Å; E341-D345 WeakPolarHBondContact O-CB 3.34Å; E341-D345 PolarHBondContact O-N 2.83Å; S342-D345 PolarHBondContact O-N 3.22Å; D345-N348 PolarHBondContact O-N 3.41Å; D345-K349 WeakPolarHBondContact O-CG 3.36Å; D345-K349 PolarHBondContact O-N 2.81Å; D345-K349 WeakPolarHBondContact OD1-CE 3.47Å; D345-K349 IonicContact OD1-NZ 3.41Å; D345-K349 WeakPolarHBondContact OD2-CE 3.37Å; D345-K349 IonicContact OD2-NZ 3.54Å; D345-K349 PolarHBondContact OD2-NZ 3.36Å
346	N	98.9	Very high	98.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-47.3	178	-67.4	-27.5	0	0	0	112.3	L284 K285 Y293 S342 T343 I344 N348 K349 I350	L284-N346 WeakPolarHBondContact CA-OD1 3.27Å; L284-N346 WeakPolarHBondContact CB-OD1 3.46Å; L284-N346 HydrophobicContact CD2-CB 3.96Å; K285-N346 PolarHBondContact N-OD1 3.28Å; K285-N346 PolarHBondContact O-ND2 3.23Å; Y293-N346 HydrophobicContact CE2-CB 3.83Å; Y293-N346 PolarHBondContact OH-ND2 3.49Å; S342-N346 WeakPolarHBondContact O-CB 3.24Å; S342-N346 PolarHBondContact O-N 3.13Å; S342-N346 PolarHBondContact O-ND2 3.43Å; T343-N346 PolarHBondContact O-N 2.85Å; I344-N346 VanDerWaalsContact C-N 3.29Å; I344-N346 PolarHBondContact O-N 2.78Å; N346-N348 VanDerWaalsContact C-N 3.31Å; N346-N348 PolarHBondContact O-N 3.11Å; N346-K349 PolarHBondContact O-N 3Å; N346-I350 WeakPolarHBondContact O-CG1 3.22Å; N346-I350 PolarHBondContact O-N 2.73Å
347	L	98.9	Very high	98.9	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-66.4	-33.6	179.3	-69.7	171.8	0	0	0	112.2	M166 I250 P255 F257 Y293 F294 T343 I344 I350 L351	M166-L347 HydrophobicContact CE-CB 3.72Å; I250-L347 HydrophobicContact CG2-CD1 3.49Å; I250-L347 VanDerWaalsContact CG2-CD1 3.49Å; P255-L347 HydrophobicContact CG-CD1 4.31Å; F257-L347 HydrophobicContact CE2-CD1 4.12Å; F257-L347 HydrophobicContact CE2-CD2 3.87Å; F257-L347 HydrophobicContact CZ-CD1 4.16Å; Y293-L347 HydrophobicContact CD2-CD2 3.77Å; Y293-L347 HydrophobicContact CD2-CG 4.37Å; Y293-L347 HydrophobicContact CE2-CD2 4.38Å; Y293-L347 HydrophobicContact CG-CD2 4.22Å; F294-L347 HydrophobicContact CE2-CD2 4.21Å; F294-L347 HydrophobicContact CZ-CD2 4.08Å; T343-L347 HydrophobicContact CG2-CD1 4.02Å; T343-L347 WeakPolarHBondContact O-CG 3.35Å; T343-L347 PolarHBondContact O-N 2.93Å; I344-L347 PolarHBondContact O-N 2.9Å; L347-I350 HydrophobicContact CD2-CD1 4.49Å; L347-I350 PolarHBondContact O-N 3.48Å; L347-L351 VanDerWaalsContact O-CB 3.3Å; L347-L351 WeakPolarHBondContact O-CB 3.36Å; L347-L351 PolarHBondContact O-N 3.22Å
348	N	98.9	Very high	98.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-57	-49.7	170.5	-87.9	-35.9	0	0	0	111.6	M65 M166 I344 D345 N346 I350 L351 Q352	M65-N348 PolarHBondContact SD-ND2 3.28Å; M166-N348 WeakPolarHBondContact CB-OD1 3.24Å; M166-N348 WeakPolarHBondContact CG-OD1 3.45Å; I344-N348 WeakPolarHBondContact O-CB 3.47Å; I344-N348 PolarHBondContact O-N 2.89Å; I344-N348 PolarHBondContact O-ND2 3.15Å; D345-N348 PolarHBondContact O-N 3.41Å; N346-N348 VanDerWaalsContact C-N 3.31Å; N346-N348 PolarHBondContact O-N 3.11Å; N348-I350 PolarHBondContact O-N 3.49Å; N348-L351 PolarHBondContact O-N 3.09Å; N348-Q352 WeakPolarHBondContact O-CB 3.13Å; N348-Q352 WeakPolarHBondContact O-CG 3.24Å; N348-Q352 PolarHBondContact O-N 3.08Å
349	K	98.9	Very high	98.8	Very high	9 Å²	9	11.1 Å²	11.1	4%	0.039	6%	0.058	C	C	.	.	H	α-helix	trans	-61.4	-46.3	179.3	-64.6	167.3	-169.6	156.2	0	111.4	A57 T60 L278 L283 L284 D345 N346 Q352 V353	A57-K349 HydrophobicContact CB-CD 4.09Å; A57-K349 HydrophobicContact CB-CG 4.42Å; T60-K349 HydrophobicContact CG2-CG 3.7Å; L278-K349 HydrophobicContact CD1-CB 4Å; L283-K349 WeakPolarHBondContact O-CD 3.41Å; L283-K349 PolarHBondContact O-NZ 3.41Å; L284-K349 HydrophobicContact CD2-CD 4.36Å; D345-K349 WeakPolarHBondContact O-CG 3.36Å; D345-K349 PolarHBondContact O-N 2.81Å; D345-K349 WeakPolarHBondContact OD1-CE 3.47Å; D345-K349 IonicContact OD1-NZ 3.41Å; D345-K349 WeakPolarHBondContact OD2-CE 3.37Å; D345-K349 IonicContact OD2-NZ 3.54Å; D345-K349 PolarHBondContact OD2-NZ 3.36Å; N346-K349 PolarHBondContact O-N 3Å; K349-Q352 PolarHBondContact O-N 3.42Å; K349-V353 WeakPolarHBondContact O-CG2 3.44Å; K349-V353 PolarHBondContact O-N 3.09Å
350	I	98.9	Very high	98.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-61.5	-48.1	-179.6	-66	162	0	0	0	110.6	L271 I274 E275 L278 Y293 F294 N346 L347 N348 V353 F354	L271-I350 HydrophobicContact CD2-CG2 3.82Å; I274-I350 HydrophobicContact CB-CG2 4.42Å; I274-I350 HydrophobicContact CG2-CB 4.25Å; I274-I350 HydrophobicContact CG2-CG1 4.32Å; I274-I350 HydrophobicContact CG2-CG2 3.92Å; E275-I350 HydrophobicContact CB-CD1 3.94Å; E275-I350 HydrophobicContact CB-CG1 4.45Å; E275-I350 HydrophobicContact CG-CD1 4.17Å; L278-I350 HydrophobicContact CD1-CG1 3.81Å; Y293-I350 HydrophobicContact CD2-CD1 4.07Å; Y293-I350 HydrophobicContact CE2-CD1 4.26Å; F294-I350 HydrophobicContact CE2-CD1 4.11Å; F294-I350 HydrophobicContact CE2-CG2 3.83Å; F294-I350 HydrophobicContact CZ-CG2 4.29Å; N346-I350 WeakPolarHBondContact O-CG1 3.22Å; N346-I350 PolarHBondContact O-N 2.73Å; L347-I350 HydrophobicContact CD2-CD1 4.49Å; L347-I350 PolarHBondContact O-N 3.48Å; N348-I350 PolarHBondContact O-N 3.49Å; I350-V353 PolarHBondContact O-N 3.23Å; I350-F354 WeakPolarHBondContact O-CB 3.49Å; I350-F354 PolarHBondContact O-N 2.77Å
351	L	98.9	Very high	98.4	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.026	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-40.4	-179.2	-173.7	67.3	0	0	0	112.2	L137 L170 V245 L247 L320 L347 N348 F354 V355	L137-L351 HydrophobicContact CD2-CD1 4.44Å; L170-L351 HydrophobicContact CD1-CB 4.46Å; L170-L351 HydrophobicContact CD1-CD2 3.9Å; L170-L351 HydrophobicContact CD1-CG 3.75Å; V245-L351 HydrophobicContact CG1-CD1 4.4Å; L247-L351 HydrophobicContact CD2-CD2 3.81Å; L320-L351 HydrophobicContact CD1-CD1 4.45Å; L347-L351 VanDerWaalsContact O-CB 3.3Å; L347-L351 WeakPolarHBondContact O-CB 3.36Å; L347-L351 PolarHBondContact O-N 3.22Å; N348-L351 PolarHBondContact O-N 3.09Å; L351-F354 WeakPolarHBondContact O-CB 3.48Å; L351-F354 PolarHBondContact O-N 2.72Å; L351-V355 WeakPolarHBondContact O-CG2 3.49Å; L351-V355 PolarHBondContact O-N 3.38Å
352	Q	98.9	Very high	98.4	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-63.2	-44.2	177	-74.3	171.1	34.2	0	0	111.8	I56 T60 L170 L174 N348 K349 V355 L356	I56-Q352 HydrophobicContact CG2-CB 3.82Å; T60-Q352 PolarHBondContact OG1-NE2 3.23Å; L170-Q352 HydrophobicContact CB-CG 4.19Å; L170-Q352 HydrophobicContact CD1-CG 4.02Å; L170-Q352 HydrophobicContact CG-CG 3.92Å; L174-Q352 HydrophobicContact CD1-CB 4.28Å; L174-Q352 HydrophobicContact CD1-CG 4.31Å; L174-Q352 HydrophobicContact CD2-CB 4.3Å; L174-Q352 HydrophobicContact CD2-CG 4.46Å; L174-Q352 HydrophobicContact CG-CG 4.31Å; N348-Q352 WeakPolarHBondContact O-CB 3.13Å; N348-Q352 WeakPolarHBondContact O-CG 3.24Å; N348-Q352 PolarHBondContact O-N 3.08Å; K349-Q352 PolarHBondContact O-N 3.42Å; Q352-V355 PolarHBondContact O-N 3.32Å; Q352-L356 WeakPolarHBondContact O-CG 3.24Å; Q352-L356 PolarHBondContact O-N 3Å
353	V	98.9	Very high	98.4	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-60.7	-47.3	173.6	171.7	0	0	0	0	110.3	L48 L53 I56 I274 L278 K349 I350 V355 L356 E357	L48-V353 HydrophobicContact CD1-CG1 4.28Å; L53-V353 HydrophobicContact CD2-CB 4.29Å; L53-V353 HydrophobicContact CD2-CG1 3.55Å; L53-V353 HydrophobicContact CD2-CG2 3.66Å; I56-V353 HydrophobicContact CB-CG2 4.21Å; I56-V353 HydrophobicContact CG2-CG2 3.93Å; I274-V353 HydrophobicContact CB-CG1 4.39Å; I274-V353 HydrophobicContact CD1-CB 4.46Å; I274-V353 HydrophobicContact CD1-CG1 3.85Å; I274-V353 HydrophobicContact CG1-CG1 3.8Å; I274-V353 HydrophobicContact CG2-CB 3.79Å; I274-V353 HydrophobicContact CG2-CG1 3.68Å; I274-V353 HydrophobicContact CG2-CG2 4.47Å; L278-V353 HydrophobicContact CD1-CG2 4.47Å; K349-V353 WeakPolarHBondContact O-CG2 3.44Å; K349-V353 PolarHBondContact O-N 3.09Å; I350-V353 PolarHBondContact O-N 3.23Å; V353-V355 VanDerWaalsContact C-N 3.33Å; V353-V355 PolarHBondContact O-N 3.4Å; V353-L356 PolarHBondContact O-N 3.24Å; V353-E357 HydrophobicContact CG1-CG 4.15Å; V353-E357 WeakPolarHBondContact O-CB 3.37Å; V353-E357 WeakPolarHBondContact O-CG 3.26Å; V353-E357 PolarHBondContact O-N 2.88Å
354	F	98.9	Very high	98.4	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.009	5%	0.045	C	C	.	.	H	α-helix	trans	-55.7	-46.9	178.8	177	-91.3	0	0	0	112.2	L135 L243 V245 W267 R270 L271 I274 L318 I350 L351 E357 Y358	L135-F354 HydrophobicContact CD1-CE1 4.49Å; L135-F354 HydrophobicContact CD2-CE1 4.45Å; L243-F354 HydrophobicContact CD2-CE1 4.39Å; L243-F354 HydrophobicContact CD2-CZ 3.95Å; V245-F354 HydrophobicContact CG2-CE1 4.09Å; W267-F354 HydrophobicContact CB-CE2 4.04Å; W267-F354 HydrophobicContact CB-CZ 4.08Å; W267-F354 HydrophobicContact CD2-CE2 4.49Å; W267-F354 HydrophobicContact CD2-CZ 4.41Å; W267-F354 AromaticContact CE3-CE2 3.95Å; W267-F354 HydrophobicContact CE3-CE2 3.95Å; W267-F354 HydrophobicContact CE3-CZ 4.17Å; W267-F354 HydrophobicContact CG-CZ 4.42Å; R270-F354 HydrophobicContact CB-CD2 4.48Å; R270-F354 HydrophobicContact CB-CE2 4.45Å; L271-F354 HydrophobicContact CD2-CB 3.78Å; L271-F354 HydrophobicContact CD2-CD2 3.63Å; L271-F354 HydrophobicContact CD2-CE2 4.4Å; L271-F354 HydrophobicContact CD2-CG 3.77Å; L271-F354 HydrophobicContact CG-CD2 3.98Å; L271-F354 HydrophobicContact CG-CE2 4.34Å; I274-F354 HydrophobicContact CD1-CB 3.86Å; I274-F354 HydrophobicContact CD1-CD2 4.3Å; L318-F354 HydrophobicContact CD2-CE2 4.34Å; L318-F354 HydrophobicContact CD2-CZ 3.98Å; I350-F354 WeakPolarHBondContact O-CB 3.49Å; I350-F354 PolarHBondContact O-N 2.77Å; L351-F354 WeakPolarHBondContact O-CB 3.48Å; L351-F354 PolarHBondContact O-N 2.72Å; F354-E357 PolarHBondContact O-N 3.36Å; F354-Y358 HydrophobicContact CE1-CD2 4.2Å; F354-Y358 HydrophobicContact CZ-CD2 4.03Å; F354-Y358 VanDerWaalsContact O-CB 3.31Å; F354-Y358 WeakPolarHBondContact O-CB 3.3Å; F354-Y358 PolarHBondContact O-N 3.37Å
355	V	98.9	Very high	98.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.4	-42.6	179.4	170.2	0	0	0	0	111.7	L135 L137 L170 L174 L193 L351 Q352 V353 Y358 L359	L135-V355 HydrophobicContact CD2-CB 4.49Å; L135-V355 HydrophobicContact CD2-CG1 4.41Å; L135-V355 HydrophobicContact CD2-CG2 4.04Å; L137-V355 HydrophobicContact CD1-CG2 3.99Å; L137-V355 HydrophobicContact CD2-CG2 4.15Å; L170-V355 HydrophobicContact CD1-CB 4.31Å; L170-V355 HydrophobicContact CD1-CG2 3.8Å; L170-V355 HydrophobicContact CD2-CG1 4.44Å; L174-V355 HydrophobicContact CD1-CB 4.48Å; L174-V355 HydrophobicContact CD1-CG1 4.28Å; L193-V355 HydrophobicContact CD1-CG1 4.27Å; L193-V355 HydrophobicContact CD2-CG1 4.17Å; L351-V355 WeakPolarHBondContact O-CG2 3.49Å; L351-V355 PolarHBondContact O-N 3.38Å; Q352-V355 PolarHBondContact O-N 3.32Å; V353-V355 VanDerWaalsContact C-N 3.33Å; V353-V355 PolarHBondContact O-N 3.4Å; V355-Y358 PolarHBondContact O-N 3.43Å; V355-L359 HydrophobicContact CG1-CD1 3.64Å; V355-L359 HydrophobicContact CG1-CG 4.28Å; V355-L359 WeakPolarHBondContact O-CB 3.33Å; V355-L359 VanDerWaalsContact O-CG 3.27Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 2.75Å
356	L	98.7	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.4	-43.2	177.2	-69.3	179.7	0	0	0	112.4	L48 I56 L174 K177 Q352 V353 Y358 L359 H360 L361	L48-L356 HydrophobicContact CD1-CB 4.14Å; L48-L356 HydrophobicContact CD1-CD1 4.2Å; I56-L356 HydrophobicContact CD1-CD1 3.28Å; I56-L356 HydrophobicContact CG1-CD1 3.68Å; L174-L356 HydrophobicContact CD1-CD2 3.95Å; L174-L356 HydrophobicContact CD1-CG 3.95Å; L174-L356 HydrophobicContact CD2-CD1 3.76Å; L174-L356 HydrophobicContact CD2-CD2 4.1Å; L174-L356 HydrophobicContact CD2-CG 4.01Å; L174-L356 HydrophobicContact CG-CD2 4.48Å; K177-L356 HydrophobicContact CB-CD2 4.17Å; K177-L356 HydrophobicContact CD-CD1 3.79Å; K177-L356 HydrophobicContact CD-CD2 3.61Å; K177-L356 HydrophobicContact CD-CG 4.37Å; Q352-L356 WeakPolarHBondContact O-CG 3.24Å; Q352-L356 PolarHBondContact O-N 3Å; V353-L356 PolarHBondContact O-N 3.24Å; L356-Y358 VanDerWaalsContact C-N 3.3Å; L356-Y358 PolarHBondContact O-N 2.86Å; L356-L359 PolarHBondContact O-N 2.67Å; L356-H360 PolarHBondContact O-N 2.87Å; L356-L361 HydrophobicContact CD2-CB 3.6Å; L356-L361 HydrophobicContact CD2-CD1 4.33Å; L356-L361 PolarHBondContact O-N 3.26Å; L356-L361 VanDerWaalsContact O-N 3.09Å
357	E	98.7	Very high	98.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-40.4	174.6	-74.2	-163.4	166.3	0	0	111.3	P45 A46 I47 L48 R270 V353 F354 H360	P45-E357 CarbonylContact C-O 3.41Å; P45-E357 VanDerWaalsContact CA-O 3.29Å; P45-E357 WeakPolarHBondContact CA-O 3.37Å; P45-E357 HydrophobicContact CB-CB 3.93Å; A46-E357 PolarHBondContact N-O 2.98Å; I47-E357 WeakPolarHBondContact CA-OE1 3.28Å; L48-E357 HydrophobicContact CG-CG 4.01Å; L48-E357 PolarHBondContact N-OE1 3.35Å; R270-E357 IonicContact CZ-OE2 3.11Å; R270-E357 IonicContact NE-OE2 3.76Å; R270-E357 PolarHBondContact NE-OE2 3.41Å; R270-E357 IonicContact NH2-OE1 3.67Å; R270-E357 PolarHBondContact NH2-OE1 2.92Å; R270-E357 IonicContact NH2-OE2 3.91Å; R270-E357 PolarHBondContact NH2-OE2 3.41Å; V353-E357 HydrophobicContact CG1-CG 4.15Å; V353-E357 WeakPolarHBondContact O-CB 3.37Å; V353-E357 WeakPolarHBondContact O-CG 3.26Å; V353-E357 PolarHBondContact O-N 2.88Å; F354-E357 PolarHBondContact O-N 3.36Å; E357-H360 PolarHBondContact O-CD2 2.7Å
358	Y	98.6	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68.4	-41	178.5	-160.6	-75.1	0	0	0	111.9	H43 L135 L191 D242 L243 W267 F354 V355 L356	H43-Y358 AromaticContact CD2-CD1 3.92Å; H43-Y358 AromaticContact CD2-CE1 3.59Å; H43-Y358 AromaticContact CD2-CZ 3.68Å; H43-Y358 PolarHBondContact CE1-O 2.97Å; H43-Y358 AromaticContact NE2-CD1 3.65Å; H43-Y358 AromaticContact NE2-CE1 3.72Å; H43-Y358 PolarHBondContact NE2-O 3.39Å; L135-Y358 HydrophobicContact CB-CD1 3.92Å; L135-Y358 HydrophobicContact CB-CE1 3.98Å; L135-Y358 HydrophobicContact CD1-CD1 4.26Å; L135-Y358 HydrophobicContact CD1-CD2 4.25Å; L135-Y358 HydrophobicContact CD1-CE1 4.21Å; L135-Y358 HydrophobicContact CD1-CE2 4.14Å; L135-Y358 HydrophobicContact CD1-CG 4.32Å; L135-Y358 HydrophobicContact CD2-CD1 3.9Å; L135-Y358 HydrophobicContact CD2-CD2 4.42Å; L135-Y358 HydrophobicContact CD2-CG 3.83Å; L135-Y358 HydrophobicContact CG-CD1 4.25Å; L135-Y358 HydrophobicContact CG-CE1 4.49Å; L135-Y358 HydrophobicContact CG-CG 4.5Å; L191-Y358 HydrophobicContact CD1-CE1 4.15Å; L191-Y358 HydrophobicContact CD2-CD1 3.81Å; L191-Y358 HydrophobicContact CD2-CE1 3.7Å; D242-Y358 HydrophobicContact CB-CE1 4.39Å; D242-Y358 WeakPolarHBondContact CB-OH 3.36Å; D242-Y358 PolarHBondContact OD2-OH 2.97Å; L243-Y358 HydrophobicContact CB-CE2 4.41Å; L243-Y358 HydrophobicContact CD2-CE2 4.07Å; W267-Y358 HydrophobicContact CD2-CD2 4.17Å; W267-Y358 AromaticContact CD2-CE2 3.86Å; W267-Y358 HydrophobicContact CD2-CE2 3.86Å; W267-Y358 AromaticContact CE2-CE2 3.39Å; W267-Y358 AromaticContact CE3-CD2 3.96Å; W267-Y358 HydrophobicContact CE3-CD2 3.96Å; W267-Y358 HydrophobicContact CE3-CE2 4.12Å; W267-Y358 AromaticContact CH2-CD2 3.59Å; W267-Y358 HydrophobicContact CH2-CD2 3.59Å; W267-Y358 AromaticContact CH2-CE2 3.56Å; W267-Y358 HydrophobicContact CH2-CE2 3.56Å; W267-Y358 HydrophobicContact CH2-CG 4.45Å; W267-Y358 AromaticContact CZ2-CD2 3.77Å; W267-Y358 HydrophobicContact CZ2-CD2 3.77Å; W267-Y358 AromaticContact CZ2-CE2 3.21Å; W267-Y358 HydrophobicContact CZ2-CE2 3.21Å; W267-Y358 AromaticContact CZ2-CZ 3.87Å; W267-Y358 AromaticContact CZ3-CD2 3.68Å; W267-Y358 HydrophobicContact CZ3-CD2 3.68Å; W267-Y358 AromaticContact CZ3-CE2 4Å; W267-Y358 HydrophobicContact CZ3-CE2 4Å; W267-Y358 AromaticContact NE1-CE2 3.94Å; F354-Y358 HydrophobicContact CE1-CD2 4.2Å; F354-Y358 HydrophobicContact CZ-CD2 4.03Å; F354-Y358 VanDerWaalsContact O-CB 3.31Å; F354-Y358 WeakPolarHBondContact O-CB 3.3Å; F354-Y358 PolarHBondContact O-N 3.37Å; V355-Y358 PolarHBondContact O-N 3.43Å; L356-Y358 VanDerWaalsContact C-N 3.3Å; L356-Y358 PolarHBondContact O-N 2.86Å
359	L	97.1	Very high	98.1	Very high	9 Å²	9	11.8 Å²	11.8	5%	0.047	6%	0.057	C	C	.	.	H	α-helix	trans	-89.2	-3.4	-175.7	-62.5	178.3	0	0	0	114.2	L135 L178 L181 L191 S192 L193 V355 L356 L361	L135-L359 HydrophobicContact CB-CD2 4.24Å; L178-L359 HydrophobicContact CD2-CD1 4.12Å; L181-L359 HydrophobicContact CD1-CD1 4.42Å; L191-L359 HydrophobicContact CD2-CD2 4.18Å; L191-L359 HydrophobicContact CG-CD2 3.91Å; S192-L359 WeakPolarHBondContact O-CD2 3.47Å; L193-L359 HydrophobicContact CB-CD1 3.97Å; L193-L359 HydrophobicContact CD1-CD1 4.41Å; L193-L359 HydrophobicContact CD2-CD1 4.38Å; L193-L359 HydrophobicContact CG-CD1 4.49Å; V355-L359 HydrophobicContact CG1-CD1 3.64Å; V355-L359 HydrophobicContact CG1-CG 4.28Å; V355-L359 WeakPolarHBondContact O-CB 3.33Å; V355-L359 VanDerWaalsContact O-CG 3.27Å; V355-L359 WeakPolarHBondContact O-CG 3.48Å; V355-L359 PolarHBondContact O-N 2.75Å; L356-L359 PolarHBondContact O-N 2.67Å; L359-L361 HydrophobicContact CB-CD1 3.89Å; L359-L361 HydrophobicContact CB-CG 3.91Å; L359-L361 HydrophobicContact CD1-CD1 4.19Å
360	H	96.3	Very high	98.1	Very high	83 Å²	83	12.1 Å²	12.1	38%	0.384	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	52.4	-177.5	-55	178.3	0	0	0	112.7	H43 Q44 A46 L356 E357	H43-H360 AromaticContact CE1-CE1 3.87Å; H43-H360 AromaticContact CE1-NE2 3.55Å; H43-H360 AromaticContact NE2-NE2 3.98Å; Q44-H360 PolarHBondContact O-NE2 3.44Å; A46-H360 HydrophobicContact CB-CB 4.05Å; L356-H360 PolarHBondContact O-N 2.87Å; E357-H360 PolarHBondContact O-CD2 2.7Å
361	L	93.9	Very high	98	Very high	42 Å²	42	13.1 Å²	13.1	22%	0.22	6%	0.064	C	C	.	.			trans	-121	0	-170.2	-71.9	-176.1	0	0	0	117.9	K177 L178 S180 L181 L356 L359	K177-L361 VanDerWaalsContact NZ-C 3.27Å; K177-L361 PolarHBondContact NZ-O 2.88Å; K177-L361 PolarHBondContact NZ-OXT 3.04Å; L178-L361 HydrophobicContact CD2-CD1 3.95Å; S180-L361 WeakPolarHBondContact OG-CD2 3.17Å; L181-L361 HydrophobicContact CD1-CD1 4.09Å; L181-L361 HydrophobicContact CD2-CD1 4.21Å; L181-L361 HydrophobicContact CD2-CD2 3.97Å; L181-L361 HydrophobicContact CD2-CG 4.44Å; L181-L361 HydrophobicContact CG-CD1 4.1Å; L181-L361 HydrophobicContact CG-CD2 4.39Å; L356-L361 HydrophobicContact CD2-CB 3.6Å; L356-L361 HydrophobicContact CD2-CD1 4.33Å; L356-L361 PolarHBondContact O-N 3.26Å; L356-L361 VanDerWaalsContact O-N 3.09Å; L359-L361 HydrophobicContact CB-CD1 3.89Å; L359-L361 HydrophobicContact CB-CG 3.91Å; L359-L361 HydrophobicContact CD1-CD1 4.19Å

Retrieved 361 of 361 residues in 167.3 ms (Link to these results)

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