A0A087X4X4_POEFO Loading...

Perforin-1-like

AlphaFold DB , UniProt , Accession A0A087X4X4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 573 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	38.4	Very low	251 Å²	251	171.5 Å²	171.5	100%	1.236	84%	0.842	S	S	*	*				0	82	0	-70.8	-159.5	-75.4	0	0	108.3
2	A	38.6	Very low	38.3	Very low	90 Å²	90	177.2 Å²	177.2	74%	0.744	85%	0.847	S	S	*	*			trans	-126.6	153.2	173	0	0	0	0	0	106
3	N	43.3	Very low	38.2	Very low	132 Å²	132	176.7 Å²	176.7	71%	0.706	85%	0.847	S	S	*	*			trans	96.4	56.9	175.2	-54.7	-10	0	0	0	117
4	F	35.5	Very low	38.2	Very low	197 Å²	197	182.4 Å²	182.4	86%	0.864	86%	0.856	S	S	*	*	S	Bend	trans	-130.6	16	155.5	-112.8	-86.3	0	0	0	114
5	W	37.1	Very low	38.3	Very low	245 Å²	245	179.6 Å²	179.6	93%	0.928	85%	0.847	S	S	*	*	S	Bend	trans	-113	-2.2	-176.9	-101.1	44.7	0	0	0	115.1
6	Q	36.5	Very low	38.2	Very low	158 Å²	158	174.1 Å²	174.1	74%	0.738	83%	0.831	S	S	*	*	S	Bend	trans	-102.4	-2.2	-178.6	-84.6	-177.6	-29.8	0	0	115.4
7	L	37.5	Very low	38.3	Very low	146 Å²	146	172.4 Å²	172.4	76%	0.764	84%	0.837	S	S	*	*	S	Bend	trans	-95.4	-5	-178.8	-94.2	147.2	0	0	0	114.9
8	M	37.9	Very low	38.5	Very low	175 Å²	175	166.3 Å²	166.3	86%	0.862	83%	0.827	S	S	*	*	S	Bend	trans	-95.4	-3.2	179.6	-86.1	-78.9	158.4	0	0	114.5
9	L	38.8	Very low	38.7	Very low	149 Å²	149	165.6 Å²	165.6	78%	0.78	83%	0.826	S	S	*	*	S	Bend	trans	-107.2	1.4	-177.2	-78.3	164.4	0	0	0	114.9
10	L	38.5	Very low	38.9	Very low	154 Å²	154	161.4 Å²	161.4	81%	0.806	81%	0.813	S	S	*	*	S	Bend	trans	-106.2	9.1	179.4	-80.8	163.1	0	0	0	114.6
11	F	35.6	Very low	39.3	Very low	190 Å²	190	156.2 Å²	156.2	83%	0.833	79%	0.792	S	S	*	*	S	Bend	trans	-102.3	15.1	176.7	-109.2	-85.2	0	0	0	114.2
12	W	36.3	Very low	39.9	Very low	239 Å²	239	148.3 Å²	148.3	91%	0.905	76%	0.758	S	S	*	*	S	Bend	trans	-118	30.4	-177.5	-95.4	42.4	0	0	0	113.6
13	M	37.8	Very low	41.6	Very low	171 Å²	171	150.8 Å²	150.8	84%	0.842	76%	0.755	S	S	*	*	S	Bend	trans	-144.5	16.7	175.6	-110.8	-172.4	-73.1	0	0	116.6
14	W	38.1	Very low	43.8	Very low	256 Å²	256	147.1 Å²	147.1	97%	0.97	74%	0.74	S	S	*	*			trans	-121.3	68.5	167.5	-88.4	41.6	0	0	0	109.8	P16	W14-P16 WeakPolarHBondContact O-CD 3.45Å
15	I	39.6	Very low	46.6	Very low	141 Å²	141	141.1 Å²	141.1	72%	0.723	71%	0.714	S	S	*	*			trans	-75.4	114.5	155	-59.8	174.7	0	0	0	104.9
16	P	35.9	Very low	49.4	Very low	92 Å²	92	134.4 Å²	134.4	60%	0.597	70%	0.695	S	S	*	*			trans	-58.5	130.9	171.1	24.4	-31.3	0	0	0	107.8	W14 G18	W14-P16 WeakPolarHBondContact O-CD 3.45Å; P16-G18 PolarHBondContact O-N 3.2Å
17	P	40.6	Very low	52.2	Low	144 Å²	144	127 Å²	127	94%	0.935	66%	0.661	S	S	*	*	S	Bend	trans	-69.7	80.5	174.2	28.3	-31.4	0	0	0	108.4
18	G	41.4	Very low	55	Low	63 Å²	63	122.4 Å²	122.4	65%	0.649	64%	0.641	S	S	*	*			trans	-148	4.8	-176.4	0	0	0	0	0	113.6	P16	P16-G18 PolarHBondContact O-N 3.2Å
19	L	42.9	Very low	57.8	Low	154 Å²	154	117.4 Å²	117.4	81%	0.806	62%	0.622	S	S	*	*			trans	-110.9	95	177.3	-85.9	137.9	0	0	0	109.9
20	S	42.2	Very low	60.5	Low	80 Å²	80	118.1 Å²	118.1	56%	0.559	62%	0.619	S	S	*	*			trans	163.6	72.8	135.6	-167.9	0	0	0	0	110.5
21	S	48.4	Very low	63.2	Low	54 Å²	54	114.7 Å²	114.7	38%	0.378	60%	0.598	S	S	.	*	S	Bend	trans	-112.4	10.2	163.4	50.2	0	0	0	0	112.2	R79	S21-R79 PolarHBondContact OG-NH1 2.91Å; S21-R79 VanDerWaalsContact OG-NH1 3.1Å
22	T	56.1	Low	66	Low	85 Å²	85	105.6 Å²	105.6	52%	0.521	56%	0.559	S	S	.	*	S	Bend	trans	-126.3	-4.8	-174.7	43.1	0	0	0	0	113.7
23	M	73.7	Confident	68.7	Low	141 Å²	141	101.4 Å²	101.4	70%	0.695	55%	0.549	S	S	*	.			trans	-87.1	119.5	-179.9	-63	-158.8	75.3	0	0	110.3
24	S	89.3	Confident	71.4	Confident	56 Å²	56	98 Å²	98	39%	0.392	54%	0.538	S	S	.	.			trans	-65	150.3	165.8	55.8	0	0	0	0	110.2	M75	S24-M75 VanDerWaalsContact CA-O 3.3Å; S24-M75 WeakPolarHBondContact CA-O 3.21Å
25	F	93.8	Very high	74.1	Confident	70 Å²	70	86.2 Å²	86.2	31%	0.307	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.9	170	64.1	-85.7	0	0	0	110.3	M75 N85	F25-M75 HydrophobicContact CD1-CB 4.48Å; F25-M75 HydrophobicContact CD2-CB 4.29Å; F25-M75 HydrophobicContact CE1-CB 3.96Å; F25-M75 HydrophobicContact CE2-CB 3.75Å; F25-M75 HydrophobicContact CE2-CG 4.3Å; F25-M75 HydrophobicContact CE2-SD 3.93Å; F25-M75 HydrophobicContact CZ-CB 3.55Å; F25-M75 HydrophobicContact CZ-CG 4.44Å; F25-M75 HydrophobicContact CZ-SD 4.19Å; F25-M75 PolarHBondContact N-O 3.08Å; F25-M75 VanDerWaalsContact N-O 3.07Å; F25-M75 PolarHBondContact O-N 2.86Å; F25-N85 HydrophobicContact CZ-CB 3.89Å; F25-N85 VanDerWaalsContact CZ-CG 3.47Å
26	I	96.4	Very high	76.8	Confident	105 Å²	105	85.5 Å²	85.5	54%	0.538	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.8	177.3	-55.9	-56.8	0	0	0	108.6	L68 T72 C73	I26-L68 HydrophobicContact CD1-CD1 3.82Å; I26-T72 HydrophobicContact CG2-CG2 4.42Å; I26-C73 WeakPolarHBondContact CA-O 2.96Å
27	G	95.6	Very high	79.7	Confident	1 Å²	1	83.1 Å²	83.1	1%	0.01	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	145.2	174.6	0	0	0	0	0	111.7	C32 C73	G27-C32 VanDerWaalsContact C-SG 3.59Å; G27-C32 PolarHBondContact O-SG 3.39Å; G27-C73 PolarHBondContact N-O 2.85Å
28	S	96.3	Very high	82.4	Confident	51 Å²	51	76.4 Å²	76.4	36%	0.357	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-66.6	160	167.6	63.1	0	0	0	0	111.3	K30 Q31 C32	S28-K30 VanDerWaalsContact C-N 3.29Å; S28-K30 PolarHBondContact O-N 3.4Å; S28-Q31 WeakPolarHBondContact O-CB 3.29Å; S28-Q31 PolarHBondContact O-N 2.91Å; S28-Q31 VanDerWaalsContact OG-CD 3.31Å; S28-Q31 VanDerWaalsContact OG-CG 3.31Å; S28-Q31 WeakPolarHBondContact OG-CG 3.42Å; S28-Q31 PolarHBondContact OG-OE1 2.69Å; S28-C32 PolarHBondContact O-N 3.39Å; S28-C32 PolarHBondContact O-SG 2.57Å; S28-C32 VanDerWaalsContact O-SG 3.36Å
29	P	96.4	Very high	85.1	Confident	69 Å²	69	74.1 Å²	74.1	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-51.7	-45	-179.3	-30.1	37.1	0	0	0	114.4	Q31 C32 E33 N70 G71 T72	P29-Q31 PolarHBondContact O-N 3.49Å; P29-C32 PolarHBondContact O-N 3.34Å; P29-E33 PolarHBondContact O-N 2.81Å; P29-N70 WeakPolarHBondContact CG-O 3.48Å; P29-G71 VanDerWaalsContact CA-O 3.28Å; P29-G71 WeakPolarHBondContact CA-O 3.46Å; P29-T72 HydrophobicContact CG-CG2 4.49Å
30	K	94.9	Very high	87.6	Confident	165 Å²	165	67.5 Å²	67.5	72%	0.717	37%	0.368	S	S	*	.	H	α-helix	trans	-63	-39.5	177.2	-173.3	173.8	-177.5	176.3	0	112.9	S28 T34	S28-K30 VanDerWaalsContact C-N 3.29Å; S28-K30 PolarHBondContact O-N 3.4Å; K30-T34 PolarHBondContact O-N 3.19Å; K30-T34 PolarHBondContact O-OG1 3.22Å
31	Q	95.3	Very high	90.2	Very high	81 Å²	81	65.9 Å²	65.9	38%	0.379	35%	0.35	S	S	.	.	H	α-helix	trans	-66.1	-44	177.4	-73	168.9	-49.7	0	0	110.7	S28 P29 T34 A35 M75	S28-Q31 WeakPolarHBondContact O-CB 3.29Å; S28-Q31 PolarHBondContact O-N 2.91Å; S28-Q31 VanDerWaalsContact OG-CD 3.31Å; S28-Q31 VanDerWaalsContact OG-CG 3.31Å; S28-Q31 WeakPolarHBondContact OG-CG 3.42Å; S28-Q31 PolarHBondContact OG-OE1 2.69Å; P29-Q31 PolarHBondContact O-N 3.49Å; Q31-T34 PolarHBondContact O-N 3.1Å; Q31-T34 PolarHBondContact O-OG1 2.83Å; Q31-A35 WeakPolarHBondContact O-CB 3.39Å; Q31-A35 PolarHBondContact O-N 3.23Å; Q31-M75 HydrophobicContact CB-SD 4.23Å
32	C	95.6	Very high	92.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-68.7	-34.7	-176.3	-67.1	0	0	0	0	113.9	G27 S28 P29 W66 C73 K87	G27-C32 VanDerWaalsContact C-SG 3.59Å; G27-C32 PolarHBondContact O-SG 3.39Å; S28-C32 PolarHBondContact O-N 3.39Å; S28-C32 PolarHBondContact O-SG 2.57Å; S28-C32 VanDerWaalsContact O-SG 3.36Å; P29-C32 PolarHBondContact O-N 3.34Å; C32-W66 HydrophobicContact CB-CE3 4.15Å; C32-W66 HydrophobicContact CB-CH2 4.11Å; C32-W66 HydrophobicContact CB-CZ3 3.52Å; C32-C73 WeakPolarHBondContact CA-SG 3.27Å; C32-C73 HydrophobicContact CB-CB 3.63Å; C32-C73 WeakPolarHBondContact CB-SG 3.46Å; C32-C73 VanDerWaalsContact SG-CA 3.51Å; C32-C73 WeakPolarHBondContact SG-CB 3.42Å; C32-C73 PolarHBondContact SG-N 3.4Å; C32-C73 CovalentContact SG-SG 2.03Å; C32-C73 PolarHBondContact SG-SG 3.09Å; C32-K87 PolarHBondContact O-NZ 3.1Å
33	E	92.7	Very high	94.4	Very high	150 Å²	150	62.3 Å²	62.3	70%	0.701	32%	0.323	S	S	*	.	H	α-helix	trans	-62	-45	173.8	-170.6	175.1	-165.4	0	0	111.4	P29	P29-E33 PolarHBondContact O-N 2.81Å
34	T	94.1	Very high	95.5	Very high	99 Å²	99	55.6 Å²	55.6	61%	0.607	29%	0.29	S	S	*	.	H	α-helix	trans	-84.7	-23.4	-176.8	59.1	0	0	0	0	115.3	K30 Q31	K30-T34 PolarHBondContact O-N 3.19Å; K30-T34 PolarHBondContact O-OG1 3.22Å; Q31-T34 PolarHBondContact O-N 3.1Å; Q31-T34 PolarHBondContact O-OG1 2.83Å
35	A	95.6	Very high	95.8	Very high	10 Å²	10	53 Å²	53	8%	0.083	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-73.1	136.3	-171.4	0	0	0	0	0	112.7	Q31 M75 K87	Q31-A35 WeakPolarHBondContact O-CB 3.39Å; Q31-A35 PolarHBondContact O-N 3.23Å; A35-M75 HydrophobicContact CB-CE 3.27Å; A35-K87 HydrophobicContact CB-CB 4.41Å; A35-K87 HydrophobicContact CB-CD 4.46Å; A35-K87 HydrophobicContact CB-CG 4.48Å; A35-K87 WeakPolarHBondContact O-CD 3.14Å; A35-K87 WeakPolarHBondContact O-CE 3.31Å; A35-K87 PolarHBondContact O-NZ 3.43Å
36	H	96.1	Very high	96	Very high	125 Å²	125	50.2 Å²	50.2	58%	0.579	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-75	155.9	171.7	-59.9	-59.7	0	0	0	111.8	E84 Q86 K87	H36-E84 IonicContact CD2-OE1 3.51Å; H36-Q86 CarbonylContact O-C 3.57Å; H36-Q86 VanDerWaalsContact O-CA 3.27Å; H36-Q86 WeakPolarHBondContact O-CA 3.38Å; H36-Q86 WeakPolarHBondContact O-CB 2.99Å; H36-K87 PolarHBondContact O-N 2.93Å
37	F	97.4	Very high	96.1	Very high	43 Å²	43	45.2 Å²	45.2	19%	0.189	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-69.9	153.8	170.2	-76.5	-79.4	0	0	0	111.6	Y41 W66 K87 P89	F37-Y41 HydrophobicContact CB-CD1 3.27Å; F37-Y41 HydrophobicContact CB-CD2 4.33Å; F37-Y41 HydrophobicContact CB-CE1 3.62Å; F37-Y41 HydrophobicContact CB-CG 3.66Å; F37-Y41 HydrophobicContact CD1-CD1 4.3Å; F37-Y41 AromaticContact CD1-CD2 3.82Å; F37-Y41 HydrophobicContact CD1-CD2 3.82Å; F37-Y41 HydrophobicContact CD1-CE2 4.13Å; F37-Y41 AromaticContact CD1-CG 3.88Å; F37-Y41 HydrophobicContact CD1-CG 3.88Å; F37-Y41 HydrophobicContact CD2-CD1 4.36Å; F37-Y41 AromaticContact CD2-CE1 3.93Å; F37-Y41 HydrophobicContact CD2-CE1 3.93Å; F37-Y41 HydrophobicContact CD2-CE2 4.14Å; F37-Y41 AromaticContact CD2-CZ 3.81Å; F37-Y41 HydrophobicContact CE1-CD2 4.18Å; F37-Y41 HydrophobicContact CE1-CE2 4.26Å; F37-Y41 HydrophobicContact CE2-CE2 4.26Å; F37-Y41 AromaticContact CG-CD1 3.77Å; F37-Y41 HydrophobicContact CG-CD1 3.77Å; F37-Y41 HydrophobicContact CG-CD2 4.01Å; F37-Y41 AromaticContact CG-CE1 3.83Å; F37-Y41 HydrophobicContact CG-CE1 3.83Å; F37-Y41 HydrophobicContact CG-CE2 4.05Å; F37-Y41 AromaticContact CG-CG 3.85Å; F37-Y41 HydrophobicContact CG-CG 3.85Å; F37-Y41 AromaticContact CG-CZ 3.96Å; F37-Y41 HydrophobicContact CZ-CE2 4.31Å; F37-W66 HydrophobicContact CE1-CB 3.97Å; F37-W66 HydrophobicContact CZ-CB 3.94Å; F37-W66 AromaticContact CZ-CD1 3.7Å; F37-W66 HydrophobicContact CZ-CG 4.12Å; F37-K87 WeakPolarHBondContact CA-O 3.47Å; F37-K87 HydrophobicContact CD1-CG 3.89Å; F37-K87 HydrophobicContact CE1-CG 4.07Å; F37-K87 HydrophobicContact CG-CG 4.21Å; F37-P89 HydrophobicContact CD1-CG 4.24Å; F37-P89 HydrophobicContact CE1-CG 3.86Å
38	V	97.1	Very high	96.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-60.1	149.1	169.2	-62.5	0	0	0	0	111.3	G40 Y41 Q86 K87 V88 W95	V38-G40 PolarHBondContact O-N 2.82Å; V38-Y41 WeakPolarHBondContact O-CB 3.44Å; V38-Y41 PolarHBondContact O-N 3.29Å; V38-Q86 HydrophobicContact CG1-CB 3.72Å; V38-K87 PolarHBondContact N-O 3.14Å; V38-K87 VanDerWaalsContact N-O 3.09Å; V38-V88 HydrophobicContact CB-CG1 4.45Å; V38-V88 HydrophobicContact CG1-CG1 3.79Å; V38-V88 HydrophobicContact CG2-CG1 3.77Å; V38-W95 HydrophobicContact CB-CD2 4.47Å; V38-W95 HydrophobicContact CB-CZ2 3.93Å; V38-W95 HydrophobicContact CG1-CD2 3.99Å; V38-W95 HydrophobicContact CG1-CE3 4.48Å; V38-W95 HydrophobicContact CG1-CG 4.43Å; V38-W95 HydrophobicContact CG1-CH2 4.3Å; V38-W95 HydrophobicContact CG1-CZ2 3.78Å; V38-W95 HydrophobicContact CG2-CG 4.42Å
39	P	96.9	Very high	96.3	Very high	16 Å²	16	43.1 Å²	43.1	10%	0.104	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	130.2	176.8	-28.7	36.4	0	0	0	112.9	Y41 Y178 P332	P39-Y41 VanDerWaalsContact C-N 3.33Å; P39-Y41 PolarHBondContact O-N 2.87Å; P39-Y178 HydrophobicContact CB-CE2 4.02Å; P39-Y178 HydrophobicContact CG-CE2 4.28Å; P39-P332 HydrophobicContact CB-CG 3.71Å
40	G	96.6	Very high	96.4	Very high	15 Å²	15	39.8 Å²	39.8	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	27.3	179.2	0	0	0	0	0	115	V38 N42 L43 Y180 L227	V38-G40 PolarHBondContact O-N 2.82Å; G40-N42 PolarHBondContact O-N 2.92Å; G40-N42 VanDerWaalsContact O-N 3.17Å; G40-L43 WeakPolarHBondContact O-CG 3.31Å; G40-L43 PolarHBondContact O-N 3.14Å; G40-Y180 WeakPolarHBondContact O-CE1 3.28Å; G40-Y180 PolarHBondContact O-OH 3.18Å; G40-L227 WeakPolarHBondContact O-CD1 2.96Å
41	Y	96.6	Very high	96.5	Very high	46 Å²	46	32 Å²	32	18%	0.18	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.6	-178.2	73	-86.1	0	0	0	114.5	F37 V38 P39 T63 E64 P89 Y180	F37-Y41 HydrophobicContact CB-CD1 3.27Å; F37-Y41 HydrophobicContact CB-CD2 4.33Å; F37-Y41 HydrophobicContact CB-CE1 3.62Å; F37-Y41 HydrophobicContact CB-CG 3.66Å; F37-Y41 HydrophobicContact CD1-CD1 4.3Å; F37-Y41 AromaticContact CD1-CD2 3.82Å; F37-Y41 HydrophobicContact CD1-CD2 3.82Å; F37-Y41 HydrophobicContact CD1-CE2 4.13Å; F37-Y41 AromaticContact CD1-CG 3.88Å; F37-Y41 HydrophobicContact CD1-CG 3.88Å; F37-Y41 HydrophobicContact CD2-CD1 4.36Å; F37-Y41 AromaticContact CD2-CE1 3.93Å; F37-Y41 HydrophobicContact CD2-CE1 3.93Å; F37-Y41 HydrophobicContact CD2-CE2 4.14Å; F37-Y41 AromaticContact CD2-CZ 3.81Å; F37-Y41 HydrophobicContact CE1-CD2 4.18Å; F37-Y41 HydrophobicContact CE1-CE2 4.26Å; F37-Y41 HydrophobicContact CE2-CE2 4.26Å; F37-Y41 AromaticContact CG-CD1 3.77Å; F37-Y41 HydrophobicContact CG-CD1 3.77Å; F37-Y41 HydrophobicContact CG-CD2 4.01Å; F37-Y41 AromaticContact CG-CE1 3.83Å; F37-Y41 HydrophobicContact CG-CE1 3.83Å; F37-Y41 HydrophobicContact CG-CE2 4.05Å; F37-Y41 AromaticContact CG-CG 3.85Å; F37-Y41 HydrophobicContact CG-CG 3.85Å; F37-Y41 AromaticContact CG-CZ 3.96Å; F37-Y41 HydrophobicContact CZ-CE2 4.31Å; V38-Y41 WeakPolarHBondContact O-CB 3.44Å; V38-Y41 PolarHBondContact O-N 3.29Å; P39-Y41 VanDerWaalsContact C-N 3.33Å; P39-Y41 PolarHBondContact O-N 2.87Å; Y41-T63 WeakPolarHBondContact CD2-O 3.2Å; Y41-T63 WeakPolarHBondContact CE2-O 3.46Å; Y41-E64 WeakPolarHBondContact CE2-OE1 3.34Å; Y41-E64 PolarHBondContact OH-OE1 3.41Å; Y41-E64 PolarHBondContact OH-OE2 2.99Å; Y41-P89 HydrophobicContact CD2-CG 3.57Å; Y41-P89 HydrophobicContact CE2-CG 4.33Å; Y41-P89 HydrophobicContact CG-CG 4.43Å; Y41-Y180 VanDerWaalsContact C-OH 3.31Å; Y41-Y180 PolarHBondContact O-OH 3.43Å; Y41-Y180 VanDerWaalsContact O-OH 3.05Å
42	N	95.3	Very high	96.6	Very high	44 Å²	44	29.5 Å²	29.5	24%	0.235	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	13.3	-176	66.7	-23.3	0	0	0	112.9	G40 Y59	G40-N42 PolarHBondContact O-N 2.92Å; G40-N42 VanDerWaalsContact O-N 3.17Å; N42-Y59 HydrophobicContact CB-CE1 3.97Å; N42-Y59 PolarHBondContact ND2-OH 3.4Å; N42-Y59 WeakPolarHBondContact O-CE1 3.4Å; N42-Y59 PolarHBondContact O-OH 2.92Å
43	L	96.7	Very high	96.7	Very high	20 Å²	20	31 Å²	31	11%	0.105	16%	0.161	C	C	.	.	S	Bend	trans	-87.8	-20.3	179	-56.4	175.4	0	0	0	112.7	G40 Y180 I222 L227 V334	G40-L43 WeakPolarHBondContact O-CG 3.31Å; G40-L43 PolarHBondContact O-N 3.14Å; L43-Y180 PolarHBondContact N-OH 3.19Å; L43-I222 WeakPolarHBondContact O-CD1 3.34Å; L43-L227 HydrophobicContact CB-CD2 4.2Å; L43-L227 HydrophobicContact CD1-CD1 4.2Å; L43-L227 HydrophobicContact CD1-CD2 3.72Å; L43-V334 HydrophobicContact CB-CG2 3.55Å; L43-V334 HydrophobicContact CD1-CG2 4.04Å; L43-V334 HydrophobicContact CG-CG2 4.32Å
44	G	96.3	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-92.1	131.9	168	0	0	0	0	0	109.8	T63 Y180	G44-T63 WeakPolarHBondContact O-CG2 3.41Å; G44-Y180 PolarHBondContact N-OH 3.22Å
45	G	96.6	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	106.8	-11.8	-177.3	0	0	0	0	0	114.2	V60 I61 I222	G45-V60 PolarHBondContact O-N 3.25Å; G45-I61 PolarHBondContact O-N 2.88Å; G45-I61 VanDerWaalsContact O-N 3.12Å; G45-I222 WeakPolarHBondContact CA-O 3.4Å; G45-I222 PolarHBondContact N-O 2.82Å
46	E	97.9	Very high	97.1	Very high	13 Å²	13	30.2 Å²	30.2	6%	0.061	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.6	173.1	-159.4	-177.9	157.9	0	0	111.4	R55 G57 Y221 I222	E46-R55 HydrophobicContact CG-CB 4.4Å; E46-R55 WeakPolarHBondContact OE1-CB 3.45Å; E46-R55 VanDerWaalsContact OE2-CD 3.22Å; E46-R55 WeakPolarHBondContact OE2-CD 3.31Å; E46-R55 IonicContact OE2-NE 3.98Å; E46-R55 PolarHBondContact OE2-NE 3.45Å; E46-G57 WeakPolarHBondContact OE1-CA 3.48Å; E46-G57 PolarHBondContact OE1-N 2.83Å; E46-Y221 WeakPolarHBondContact O-CA 3.33Å; E46-I222 HydrophobicContact CB-CD1 4.45Å; E46-I222 PolarHBondContact O-N 3.34Å
47	G	98.5	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	146.1	170.2	0	0	0	0	0	112.4	K56 A58 Y217	G47-K56 PolarHBondContact O-N 3Å; G47-A58 PolarHBondContact N-O 3.02Å; G47-Y217 CarbonylContact C-O 3.52Å; G47-Y217 WeakPolarHBondContact CA-O 3.1Å
48	Y	98.6	Very high	97.1	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.9	-171.1	-164.9	-88	0	0	0	111.4	I50 M53 R55 Y217 G218 T219 H220 I222 Y337 L339	Y48-I50 HydrophobicContact CE1-CD1 4.47Å; Y48-M53 HydrophobicContact CE1-SD 4.3Å; Y48-M53 WeakPolarHBondContact OH-CA 3.41Å; Y48-M53 WeakPolarHBondContact OH-CE 3.14Å; Y48-M53 PolarHBondContact OH-O 3.48Å; Y48-R55 HydrophobicContact CD2-CB 4.42Å; Y48-R55 HydrophobicContact CD2-CG 3.83Å; Y48-R55 HydrophobicContact CE2-CG 3.95Å; Y48-Y217 PolarHBondContact N-O 2.9Å; Y48-G218 CarbonylContact O-C 3.58Å; Y48-T219 PolarHBondContact O-N 3.47Å; Y48-T219 PolarHBondContact O-OG1 3.01Å; Y48-H220 PolarHBondContact N-O 3.02Å; Y48-H220 PolarHBondContact O-N 3.24Å; Y48-I222 HydrophobicContact CD2-CD1 4.14Å; Y48-I222 HydrophobicContact CD2-CG1 4.25Å; Y48-Y337 HydrophobicContact CD2-CE2 4.35Å; Y48-Y337 HydrophobicContact CE1-CE2 4.05Å; Y48-Y337 AromaticContact CE2-CE2 3.73Å; Y48-Y337 HydrophobicContact CE2-CE2 3.73Å; Y48-Y337 AromaticContact CE2-CZ 3.97Å; Y48-Y337 AromaticContact CZ-CE2 3.57Å; Y48-Y337 AromaticContact CZ-CZ 3.8Å; Y48-Y337 PolarHBondContact OH-OH 3.05Å; Y48-L339 HydrophobicContact CD1-CD1 3.5Å; Y48-L339 VanDerWaalsContact CD1-CD1 3.5Å; Y48-L339 HydrophobicContact CD1-CD2 3.92Å; Y48-L339 HydrophobicContact CD1-CG 4.37Å; Y48-L339 HydrophobicContact CD2-CD2 4.31Å; Y48-L339 HydrophobicContact CE1-CD1 3.79Å; Y48-L339 HydrophobicContact CG-CD1 4.2Å; Y48-L339 HydrophobicContact CG-CD2 3.73Å
49	D	98.4	Very high	97.1	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.8	171.2	-173.3	-0.5	0	0	0	111.5	V51 T52 M53 E54 K56 Y363	D49-V51 PolarHBondContact O-N 2.98Å; D49-V51 WeakPolarHBondContact OD1-CB 3.22Å; D49-V51 PolarHBondContact OD1-N 3.42Å; D49-T52 WeakPolarHBondContact CB-OG1 3.36Å; D49-M53 VanDerWaalsContact O-CA 3.29Å; D49-M53 WeakPolarHBondContact O-CA 3.35Å; D49-M53 PolarHBondContact O-N 2.9Å; D49-E54 PolarHBondContact N-O 3.46Å; D49-E54 PolarHBondContact O-N 2.68Å; D49-K56 HydrophobicContact CB-CD 4.08Å; D49-Y363 WeakPolarHBondContact OD1-CE1 3.37Å; D49-Y363 PolarHBondContact OD2-OH 3.11Å
50	I	97.6	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.4	177.2	-162.7	62.4	0	0	0	113.7	Y48 M53 T121 V124 W128 G147 G148 T219 L339 I364	Y48-I50 HydrophobicContact CE1-CD1 4.47Å; I50-M53 HydrophobicContact CD1-SD 3.9Å; I50-T121 HydrophobicContact CD1-CG2 4.07Å; I50-T121 HydrophobicContact CG1-CG2 4.47Å; I50-V124 HydrophobicContact CD1-CG2 4.07Å; I50-W128 HydrophobicContact CD1-CD2 3.96Å; I50-W128 HydrophobicContact CD1-CG 3.99Å; I50-W128 HydrophobicContact CG1-CD2 3.75Å; I50-W128 HydrophobicContact CG1-CE3 3.93Å; I50-W128 HydrophobicContact CG1-CG 4.31Å; I50-W128 HydrophobicContact CG1-CH2 4.05Å; I50-W128 HydrophobicContact CG1-CZ2 3.88Å; I50-W128 HydrophobicContact CG1-CZ3 4.1Å; I50-W128 HydrophobicContact CG2-CH2 4.42Å; I50-W128 HydrophobicContact CG2-CZ3 4.21Å; I50-G147 CarbonylContact O-C 3.58Å; I50-G147 VanDerWaalsContact O-CA 3.28Å; I50-G147 WeakPolarHBondContact O-CA 3.34Å; I50-G148 PolarHBondContact O-N 3.28Å; I50-T219 WeakPolarHBondContact CG2-OG1 3.38Å; I50-T219 PolarHBondContact N-OG1 3.35Å; I50-L339 HydrophobicContact CD1-CD1 3.78Å; I50-I364 HydrophobicContact CG2-CD1 3.82Å; I50-I364 HydrophobicContact CG2-CG1 3.81Å
51	V	97	Very high	97.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-44.8	-177.6	170	0	0	0	0	110.9	D49 G148 S149 H150 Y363 I364 N367	D49-V51 PolarHBondContact O-N 2.98Å; D49-V51 WeakPolarHBondContact OD1-CB 3.22Å; D49-V51 PolarHBondContact OD1-N 3.42Å; V51-G148 CarbonylContact O-C 3.47Å; V51-G148 WeakPolarHBondContact O-CA 3.36Å; V51-G148 PolarHBondContact O-N 2.97Å; V51-S149 PolarHBondContact O-N 2.82Å; V51-H150 HydrophobicContact CG1-CB 4.03Å; V51-H150 PolarHBondContact O-N 3.01Å; V51-Y363 HydrophobicContact CB-CE1 3.86Å; V51-Y363 HydrophobicContact CG2-CD1 3.93Å; V51-Y363 HydrophobicContact CG2-CE1 3.57Å; V51-I364 HydrophobicContact CG2-CG1 4.29Å; V51-N367 HydrophobicContact CB-CB 4.42Å; V51-N367 HydrophobicContact CG1-CB 3.47Å; V51-N367 VanDerWaalsContact CG1-CB 3.47Å; V51-N367 HydrophobicContact CG2-CB 4.03Å
52	T	97.4	Very high	97.3	Very high	28 Å²	28	26.2 Å²	26.2	17%	0.172	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-15.9	177.5	63.3	0	0	0	0	112.6	D49 E54 H150 S151	D49-T52 WeakPolarHBondContact CB-OG1 3.36Å; T52-E54 PolarHBondContact O-N 3.18Å; T52-E54 PolarHBondContact OG1-N 2.84Å; T52-H150 HydrophobicContact CG2-CB 4.26Å; T52-S151 WeakPolarHBondContact O-CA 3.28Å; T52-S151 WeakPolarHBondContact O-CB 3.3Å
53	M	96.9	Very high	97.4	Very high	32 Å²	32	24.2 Å²	24.2	16%	0.158	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	34.4	-171.2	-62.5	-67.1	-59.5	0	0	112.9	Y48 D49 I50 S120 T121 V124 G148 Y337	Y48-M53 HydrophobicContact CE1-SD 4.3Å; Y48-M53 WeakPolarHBondContact OH-CA 3.41Å; Y48-M53 WeakPolarHBondContact OH-CE 3.14Å; Y48-M53 PolarHBondContact OH-O 3.48Å; D49-M53 VanDerWaalsContact O-CA 3.29Å; D49-M53 WeakPolarHBondContact O-CA 3.35Å; D49-M53 PolarHBondContact O-N 2.9Å; I50-M53 HydrophobicContact CD1-SD 3.9Å; M53-S120 WeakPolarHBondContact CE-O 3.35Å; M53-T121 HydrophobicContact SD-CG2 3.93Å; M53-V124 HydrophobicContact CE-CG2 4.01Å; M53-G148 VanDerWaalsContact CG-CA 3.43Å; M53-Y337 VanDerWaalsContact CE-OH 3.24Å; M53-Y337 WeakPolarHBondContact CE-OH 3.34Å
54	E	96.8	Very high	97.3	Very high	92 Å²	92	27.6 Å²	27.6	43%	0.43	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.9	-179.1	-65.3	-178.9	160.3	0	0	111.5	D49 T52	D49-E54 PolarHBondContact N-O 3.46Å; D49-E54 PolarHBondContact O-N 2.68Å; T52-E54 PolarHBondContact O-N 3.18Å; T52-E54 PolarHBondContact OG1-N 2.84Å
55	R	97.2	Very high	97.3	Very high	78 Å²	78	30.5 Å²	30.5	29%	0.294	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	149.5	167.1	-48.6	-173.7	-67.4	-143.3	-19.8	109.5	E46 Y48 I222 D333	E46-R55 HydrophobicContact CG-CB 4.4Å; E46-R55 WeakPolarHBondContact OE1-CB 3.45Å; E46-R55 VanDerWaalsContact OE2-CD 3.22Å; E46-R55 WeakPolarHBondContact OE2-CD 3.31Å; E46-R55 IonicContact OE2-NE 3.98Å; E46-R55 PolarHBondContact OE2-NE 3.45Å; Y48-R55 HydrophobicContact CD2-CB 4.42Å; Y48-R55 HydrophobicContact CD2-CG 3.83Å; Y48-R55 HydrophobicContact CE2-CG 3.95Å; R55-I222 HydrophobicContact CG-CD1 4.14Å; R55-D333 IonicContact CZ-OD1 2.77Å; R55-D333 IonicContact CZ-OD2 3.9Å; R55-D333 IonicContact NH1-OD1 3.07Å; R55-D333 PolarHBondContact NH1-OD1 3.48Å; R55-D333 VanDerWaalsContact NH2-CG 3.3Å; R55-D333 IonicContact NH2-OD1 2.98Å; R55-D333 PolarHBondContact NH2-OD1 3.42Å; R55-D333 IonicContact NH2-OD2 3.36Å; R55-D333 PolarHBondContact NH2-OD2 3.12Å
56	K	97.4	Very high	97.3	Very high	73 Å²	73	33.8 Å²	33.8	32%	0.317	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-9.6	-169.8	-64	-64.1	-60	-176.7	0	114.4	G47 D49 A58 D215 T216	G47-K56 PolarHBondContact O-N 3Å; D49-K56 HydrophobicContact CB-CD 4.08Å; K56-A58 PolarHBondContact O-N 3.42Å; K56-D215 WeakPolarHBondContact CE-O 3.19Å; K56-D215 PolarHBondContact NZ-O 2.85Å; K56-T216 WeakPolarHBondContact CB-O 3.46Å
57	G	95.7	Very high	97.2	Very high	52 Å²	52	36.4 Å²	36.4	54%	0.536	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.4	-12.6	-170.5	0	0	0	0	0	114	E46	E46-G57 WeakPolarHBondContact OE1-CA 3.48Å; E46-G57 PolarHBondContact OE1-N 2.83Å
58	A	97.5	Very high	96.9	Very high	19 Å²	19	40.3 Å²	40.3	16%	0.157	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.9	178.8	0	0	0	0	0	111	G47 K56 T216 Y217	G47-A58 PolarHBondContact N-O 3.02Å; K56-A58 PolarHBondContact O-N 3.42Å; A58-T216 HydrophobicContact CB-CG2 4.11Å; A58-T216 VanDerWaalsContact CB-O 3.29Å; A58-T216 WeakPolarHBondContact CB-O 3.39Å; A58-Y217 HydrophobicContact CB-CD1 3.6Å; A58-Y217 HydrophobicContact CB-CE1 3.75Å; A58-Y217 HydrophobicContact CB-CG 4.28Å
59	Y	97.7	Very high	96.6	Very high	59 Å²	59	41.6 Å²	41.6	23%	0.231	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.7	-174.5	-76.5	-94.9	0	0	0	112	N42 T63 S189 Y217	N42-Y59 HydrophobicContact CB-CE1 3.97Å; N42-Y59 PolarHBondContact ND2-OH 3.4Å; N42-Y59 WeakPolarHBondContact O-CE1 3.4Å; N42-Y59 PolarHBondContact O-OH 2.92Å; Y59-T63 HydrophobicContact CD1-CG2 4.05Å; Y59-T63 WeakPolarHBondContact CD1-OG1 3.24Å; Y59-T63 HydrophobicContact CE1-CG2 4.12Å; Y59-T63 WeakPolarHBondContact CE1-OG1 2.9Å; Y59-S189 WeakPolarHBondContact O-CB 3.11Å; Y59-S189 PolarHBondContact O-OG 2.88Å; Y59-Y217 WeakPolarHBondContact O-CE1 3.29Å
60	V	98.3	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-87.9	-37.7	173.6	178.4	0	0	0	0	110	G45 S189 F192 Y217 Y221 L342 I345	G45-V60 PolarHBondContact O-N 3.25Å; V60-S189 PolarHBondContact O-N 3.42Å; V60-S189 VanDerWaalsContact O-N 3.09Å; V60-F192 HydrophobicContact CB-CG 4.49Å; V60-F192 HydrophobicContact CG1-CD1 3.88Å; V60-F192 HydrophobicContact CG1-CD2 4.3Å; V60-F192 HydrophobicContact CG1-CE1 3.74Å; V60-F192 HydrophobicContact CG1-CE2 4.15Å; V60-F192 HydrophobicContact CG1-CG 4.16Å; V60-F192 HydrophobicContact CG1-CZ 3.87Å; V60-F192 HydrophobicContact CG2-CD2 4.25Å; V60-F192 HydrophobicContact CG2-CE2 4.31Å; V60-Y217 HydrophobicContact CG2-CD1 3.96Å; V60-Y217 HydrophobicContact CG2-CG 4.45Å; V60-Y221 HydrophobicContact CB-CG 4.41Å; V60-Y221 HydrophobicContact CG1-CD1 4.47Å; V60-Y221 HydrophobicContact CG1-CG 4.13Å; V60-L342 HydrophobicContact CB-CD2 4.5Å; V60-L342 HydrophobicContact CG1-CD2 4.17Å; V60-L342 HydrophobicContact CG2-CD2 3.55Å; V60-I345 HydrophobicContact CG1-CG2 4.21Å
61	I	98.3	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-103.9	143.1	179.4	-58.3	-49.1	0	0	0	110	G45 T63 L182 P186 P187 L188 Y221 I345	G45-I61 PolarHBondContact O-N 2.88Å; G45-I61 VanDerWaalsContact O-N 3.12Å; I61-T63 PolarHBondContact O-N 3.13Å; I61-L182 HydrophobicContact CB-CD1 4.29Å; I61-L182 HydrophobicContact CG1-CD1 3.91Å; I61-L182 HydrophobicContact CG2-CD1 4.18Å; I61-P186 HydrophobicContact CD1-CB 4.19Å; I61-P186 HydrophobicContact CD1-CG 3.51Å; I61-P186 HydrophobicContact CG1-CG 4.08Å; I61-P186 HydrophobicContact CG2-CB 3.69Å; I61-P186 HydrophobicContact CG2-CG 4.18Å; I61-P187 WeakPolarHBondContact CG2-O 3.41Å; I61-L188 HydrophobicContact CD1-CD2 3.93Å; I61-Y221 HydrophobicContact CD1-CD2 4.34Å; I61-Y221 HydrophobicContact CD1-CE2 4.25Å; I61-Y221 HydrophobicContact CG1-CD2 4.01Å; I61-Y221 HydrophobicContact CG1-CE2 4.26Å; I61-I345 HydrophobicContact CD1-CD1 3.79Å; I61-I345 HydrophobicContact CD1-CG1 3.92Å
62	D	97.9	Very high	96	Very high	32 Å²	32	51.7 Å²	51.7	17%	0.171	28%	0.283	C	S	.	.			trans	-70.7	114.3	169.3	173.7	14.8	0	0	0	110	E64 T65 S91 P187	D62-E64 PolarHBondContact OD1-N 3.43Å; D62-T65 PolarHBondContact OD1-N 3.07Å; D62-T65 VanDerWaalsContact OD1-N 3.14Å; D62-T65 WeakPolarHBondContact OD2-CB 3.32Å; D62-T65 PolarHBondContact OD2-OG1 2.61Å; D62-S91 VanDerWaalsContact O-CB 3.32Å; D62-S91 WeakPolarHBondContact O-CB 3.15Å; D62-S91 PolarHBondContact O-OG 3.2Å; D62-P187 HydrophobicContact CB-CB 4.2Å; D62-P187 HydrophobicContact CB-CG 4.13Å; D62-P187 PolarHBondContact N-O 3.03Å
63	T	96	Very high	96	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	28%	0.275	C	S	.	.			trans	-108.5	3.8	178.5	55	0	0	0	0	112.7	Y41 G44 Y59 I61 P89	Y41-T63 WeakPolarHBondContact CD2-O 3.2Å; Y41-T63 WeakPolarHBondContact CE2-O 3.46Å; G44-T63 WeakPolarHBondContact O-CG2 3.41Å; Y59-T63 HydrophobicContact CD1-CG2 4.05Å; Y59-T63 WeakPolarHBondContact CD1-OG1 3.24Å; Y59-T63 HydrophobicContact CE1-CG2 4.12Å; Y59-T63 WeakPolarHBondContact CE1-OG1 2.9Å; I61-T63 PolarHBondContact O-N 3.13Å; T63-P89 WeakPolarHBondContact O-CB 3.5Å; T63-P89 WeakPolarHBondContact O-CG 3.22Å
64	E	95.9	Very high	96	Very high	90 Å²	90	50.9 Å²	50.9	42%	0.421	28%	0.276	S	S	.	.	S	Bend	trans	-104	-32.2	-175.1	-60	-50.1	132	0	0	112.2	Y41 D62 W66	Y41-E64 WeakPolarHBondContact CE2-OE1 3.34Å; Y41-E64 PolarHBondContact OH-OE1 3.41Å; Y41-E64 PolarHBondContact OH-OE2 2.99Å; D62-E64 PolarHBondContact OD1-N 3.43Å; E64-W66 PolarHBondContact O-N 3.15Å
65	T	96.7	Very high	95.9	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	26%	0.257	S	S	.	.			trans	-65.2	120.8	177.8	-60.8	0	0	0	0	110.6	D62 P89 V90	D62-T65 PolarHBondContact OD1-N 3.07Å; D62-T65 VanDerWaalsContact OD1-N 3.14Å; D62-T65 WeakPolarHBondContact OD2-CB 3.32Å; D62-T65 PolarHBondContact OD2-OG1 2.61Å; T65-P89 CarbonylContact O-C 3.48Å; T65-P89 VanDerWaalsContact O-CA 3.24Å; T65-P89 WeakPolarHBondContact O-CA 3.44Å; T65-V90 HydrophobicContact CG2-CG1 4.1Å; T65-V90 HydrophobicContact CG2-CG2 4.01Å; T65-V90 PolarHBondContact O-N 3.03Å
66	W	95.8	Very high	95.8	Very high	68 Å²	68	43.5 Å²	43.5	26%	0.258	25%	0.245	S	C	.	.			trans	-118	-20.8	178.6	58.4	-96.4	0	0	0	113.5	C32 F37 E64 L68 C73 K87	C32-W66 HydrophobicContact CB-CE3 4.15Å; C32-W66 HydrophobicContact CB-CH2 4.11Å; C32-W66 HydrophobicContact CB-CZ3 3.52Å; F37-W66 HydrophobicContact CE1-CB 3.97Å; F37-W66 HydrophobicContact CZ-CB 3.94Å; F37-W66 AromaticContact CZ-CD1 3.7Å; F37-W66 HydrophobicContact CZ-CG 4.12Å; E64-W66 PolarHBondContact O-N 3.15Å; W66-L68 PolarHBondContact O-N 3.09Å; W66-C73 HydrophobicContact CE3-CB 3.6Å; W66-C73 HydrophobicContact CZ3-CB 4.11Å; W66-K87 HydrophobicContact CB-CD 4.31Å; W66-K87 HydrophobicContact CD2-CD 4.19Å; W66-K87 HydrophobicContact CG-CD 4.06Å
67	D	95.1	Very high	95.6	Very high	68 Å²	68	47.6 Å²	47.6	36%	0.364	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-72.8	121.7	-177.7	-173.3	12.1	0	0	0	109.9	G69 G71 T72	D67-G69 WeakPolarHBondContact OD1-CA 3.34Å; D67-G69 PolarHBondContact OD1-N 2.83Å; D67-G71 VanDerWaalsContact OD1-CA 3.29Å; D67-G71 WeakPolarHBondContact OD1-CA 3.44Å; D67-G71 PolarHBondContact OD1-N 2.74Å; D67-G71 VanDerWaalsContact OD1-N 3.1Å; D67-T72 WeakPolarHBondContact CA-O 3.33Å; D67-T72 PolarHBondContact OD1-N 2.9Å
68	L	93.4	Very high	95.5	Very high	82 Å²	82	45.1 Å²	45.1	43%	0.429	23%	0.233	S	C	.	.			trans	-83.2	-5.2	175.1	-62.5	172.8	0	0	0	112	I26 W66 T72 K74 V90	I26-L68 HydrophobicContact CD1-CD1 3.82Å; W66-L68 PolarHBondContact O-N 3.09Å; L68-T72 PolarHBondContact N-O 3.05Å; L68-K74 HydrophobicContact CD1-CB 4.33Å; L68-V90 HydrophobicContact CD2-CB 4.46Å; L68-V90 HydrophobicContact CD2-CG1 3.85Å
69	G	91.3	Very high	95.2	Very high	31 Å²	31	49 Å²	49	32%	0.32	24%	0.243	S	C	.	.	S	Bend	trans	113.9	147.5	-169.6	0	0	0	0	0	110.9	D67 G71 T72	D67-G69 WeakPolarHBondContact OD1-CA 3.34Å; D67-G69 PolarHBondContact OD1-N 2.83Å; G69-G71 PolarHBondContact O-N 3.38Å; G69-T72 PolarHBondContact O-N 3.14Å; G69-T72 PolarHBondContact O-OG1 2.88Å
70	N	91.2	Very high	94.9	Very high	160 Å²	160	48.7 Å²	48.7	86%	0.856	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	24.7	-177.9	-56.2	-27.9	0	0	0	114	P29 T72	P29-N70 WeakPolarHBondContact CG-O 3.48Å; N70-T72 VanDerWaalsContact C-N 3.28Å; N70-T72 PolarHBondContact O-N 2.79Å
71	G	93.4	Very high	94.6	Very high	20 Å²	20	50.7 Å²	50.7	21%	0.206	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	9.1	-178.4	0	0	0	0	0	114.4	P29 D67 G69	P29-G71 VanDerWaalsContact CA-O 3.28Å; P29-G71 WeakPolarHBondContact CA-O 3.46Å; D67-G71 VanDerWaalsContact OD1-CA 3.29Å; D67-G71 WeakPolarHBondContact OD1-CA 3.44Å; D67-G71 PolarHBondContact OD1-N 2.74Å; D67-G71 VanDerWaalsContact OD1-N 3.1Å; G69-G71 PolarHBondContact O-N 3.38Å
72	T	96.7	Very high	94.2	Very high	37 Å²	37	58.7 Å²	58.7	23%	0.227	29%	0.294	C	S	.	.			trans	-88.8	156.7	-178.4	64.7	0	0	0	0	111.8	I26 P29 D67 L68 G69 N70	I26-T72 HydrophobicContact CG2-CG2 4.42Å; P29-T72 HydrophobicContact CG-CG2 4.49Å; D67-T72 WeakPolarHBondContact CA-O 3.33Å; D67-T72 PolarHBondContact OD1-N 2.9Å; L68-T72 PolarHBondContact N-O 3.05Å; G69-T72 PolarHBondContact O-N 3.14Å; G69-T72 PolarHBondContact O-OG1 2.88Å; N70-T72 VanDerWaalsContact C-N 3.28Å; N70-T72 PolarHBondContact O-N 2.79Å
73	C	96.6	Very high	93.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.9	-175.6	70.9	0	0	0	0	111.9	I26 G27 C32 W66 M75	I26-C73 WeakPolarHBondContact CA-O 2.96Å; G27-C73 PolarHBondContact N-O 2.85Å; C32-C73 WeakPolarHBondContact CA-SG 3.27Å; C32-C73 HydrophobicContact CB-CB 3.63Å; C32-C73 WeakPolarHBondContact CB-SG 3.46Å; C32-C73 VanDerWaalsContact SG-CA 3.51Å; C32-C73 WeakPolarHBondContact SG-CB 3.42Å; C32-C73 PolarHBondContact SG-N 3.4Å; C32-C73 CovalentContact SG-SG 2.03Å; C32-C73 PolarHBondContact SG-SG 3.09Å; W66-C73 HydrophobicContact CE3-CB 3.6Å; W66-C73 HydrophobicContact CZ3-CB 4.11Å; C73-M75 WeakPolarHBondContact SG-CG 3.42Å
74	K	96.4	Very high	93.6	Very high	43 Å²	43	61.2 Å²	61.2	19%	0.187	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.4	171.7	-169.6	-176.9	-63.7	159.8	0	109.8	L68 Y76 K87 V88 V92	L68-K74 HydrophobicContact CD1-CB 4.33Å; K74-Y76 HydrophobicContact CD-CE2 3.94Å; K74-Y76 HydrophobicContact CG-CE2 4.05Å; K74-K87 WeakPolarHBondContact O-CA 3.48Å; K74-V88 HydrophobicContact CB-CG2 3.96Å; K74-V88 HydrophobicContact CD-CG2 3.98Å; K74-V88 HydrophobicContact CG-CG2 4.1Å; K74-V88 PolarHBondContact O-N 3.19Å; K74-V88 VanDerWaalsContact O-N 3.09Å; K74-V92 PolarHBondContact NZ-O 2.03Å
75	M	95.6	Very high	93.6	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.1	-177.6	-58.2	-170.2	79.8	0	0	112.5	S24 F25 Q31 A35 C73 N85 Q86 K87	S24-M75 VanDerWaalsContact CA-O 3.3Å; S24-M75 WeakPolarHBondContact CA-O 3.21Å; F25-M75 HydrophobicContact CD1-CB 4.48Å; F25-M75 HydrophobicContact CD2-CB 4.29Å; F25-M75 HydrophobicContact CE1-CB 3.96Å; F25-M75 HydrophobicContact CE2-CB 3.75Å; F25-M75 HydrophobicContact CE2-CG 4.3Å; F25-M75 HydrophobicContact CE2-SD 3.93Å; F25-M75 HydrophobicContact CZ-CB 3.55Å; F25-M75 HydrophobicContact CZ-CG 4.44Å; F25-M75 HydrophobicContact CZ-SD 4.19Å; F25-M75 PolarHBondContact N-O 3.08Å; F25-M75 VanDerWaalsContact N-O 3.07Å; F25-M75 PolarHBondContact O-N 2.86Å; Q31-M75 HydrophobicContact CB-SD 4.23Å; A35-M75 HydrophobicContact CB-CE 3.27Å; C73-M75 WeakPolarHBondContact SG-CG 3.42Å; M75-N85 HydrophobicContact CE-CB 3.68Å; M75-N85 WeakPolarHBondContact CE-O 3.46Å; M75-Q86 CarbonylContact C-O 3.5Å; M75-Q86 VanDerWaalsContact CA-O 3.28Å; M75-Q86 WeakPolarHBondContact CA-O 3.44Å; M75-K87 HydrophobicContact CG-CB 4.45Å
76	Y	94.9	Very high	93.6	Very high	12 Å²	12	57.2 Å²	57.2	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.9	174.4	-67.1	-94.9	0	0	0	110.3	K74 Q86 V88 W95	K74-Y76 HydrophobicContact CD-CE2 3.94Å; K74-Y76 HydrophobicContact CG-CE2 4.05Å; Y76-Q86 PolarHBondContact N-O 3.33Å; Y76-Q86 PolarHBondContact O-N 3.1Å; Y76-V88 HydrophobicContact CD2-CG1 3.69Å; Y76-V88 HydrophobicContact CD2-CG2 4.17Å; Y76-V88 HydrophobicContact CE2-CB 4.49Å; Y76-V88 HydrophobicContact CE2-CG1 3.9Å; Y76-V88 HydrophobicContact CE2-CG2 3.74Å; Y76-W95 HydrophobicContact CD1-CB 4.45Å; Y76-W95 AromaticContact CD1-CE3 3.81Å; Y76-W95 HydrophobicContact CD1-CE3 3.81Å; Y76-W95 WeakPolarHBondContact CD1-O 3.45Å; Y76-W95 HydrophobicContact CD2-CB 4.09Å; Y76-W95 HydrophobicContact CD2-CE3 4.25Å; Y76-W95 HydrophobicContact CE1-CB 4.25Å; Y76-W95 WeakPolarHBondContact CE1-O 3.33Å; Y76-W95 HydrophobicContact CE2-CB 3.89Å; Y76-W95 HydrophobicContact CG-CB 4.36Å; Y76-W95 HydrophobicContact CG-CD2 4.34Å; Y76-W95 AromaticContact CG-CE3 3.57Å; Y76-W95 HydrophobicContact CG-CE3 3.57Å; Y76-W95 HydrophobicContact CG-CZ3 4.25Å
77	R	93.6	Very high	93.6	Very high	158 Å²	158	54.7 Å²	54.7	60%	0.596	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	115.4	174.4	-165.7	172.6	-175.3	149.5	-0.9	110.5	R79 G83 E84	R77-R79 PolarHBondContact O-N 3.36Å; R77-G83 WeakPolarHBondContact CG-O 3.22Å; R77-G83 PolarHBondContact NE-O 3.3Å; R77-E84 CarbonylContact C-O 3.41Å; R77-E84 WeakPolarHBondContact CA-O 3.42Å
78	N	93.6	Very high	93.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	100.1	-178.8	-168.9	-9.5	0	0	0	112.3	Y80 Q81 G83 E84 Q86 W95 Y178	N78-Y80 PolarHBondContact O-N 3.44Å; N78-Y80 VanDerWaalsContact O-N 3.17Å; N78-Y80 PolarHBondContact OD1-N 3.13Å; N78-Q81 HydrophobicContact CB-CB 4.13Å; N78-Q81 HydrophobicContact CB-CG 4.36Å; N78-Q81 VanDerWaalsContact ND2-CG 3.33Å; N78-Q81 WeakPolarHBondContact ND2-CG 3.2Å; N78-Q81 CarbonylContact O-C 3.57Å; N78-Q81 PolarHBondContact O-N 3.25Å; N78-G83 WeakPolarHBondContact O-CA 3.41Å; N78-G83 PolarHBondContact O-N 3.36Å; N78-E84 PolarHBondContact N-O 3.03Å; N78-Q86 HydrophobicContact CB-CG 4.44Å; N78-Q86 PolarHBondContact ND2-OE1 2.99Å; N78-W95 HydrophobicContact CB-CH2 3.84Å; N78-Y178 PolarHBondContact ND2-OH 2.85Å
79	R	90.3	Very high	93.9	Very high	100 Å²	100	47.6 Å²	47.6	38%	0.377	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.4	176.5	41.7	179	167	-162.1	-7.8	115.4	S21 R77 S97	S21-R79 PolarHBondContact OG-NH1 2.91Å; S21-R79 VanDerWaalsContact OG-NH1 3.1Å; R77-R79 PolarHBondContact O-N 3.36Å; R79-S97 WeakPolarHBondContact CG-OG 3.5Å; R79-S97 PolarHBondContact NE-OG 3.35Å; R79-S97 PolarHBondContact NH2-O 3.31Å
80	Y	92.1	Very high	94.2	Very high	54 Å²	54	47.8 Å²	47.8	21%	0.212	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.9	174.2	-71.1	-58.7	0	0	0	113.9	N78 F98 F177 Y178 K329	N78-Y80 PolarHBondContact O-N 3.44Å; N78-Y80 VanDerWaalsContact O-N 3.17Å; N78-Y80 PolarHBondContact OD1-N 3.13Å; Y80-F98 VanDerWaalsContact CE2-O 3.26Å; Y80-F98 WeakPolarHBondContact CE2-O 3.29Å; Y80-F98 VanDerWaalsContact CZ-O 3.26Å; Y80-F98 PolarHBondContact OH-O 2.72Å; Y80-F177 HydrophobicContact CD2-CD1 4.15Å; Y80-F177 HydrophobicContact CE1-CD1 4.12Å; Y80-F177 HydrophobicContact CE1-CE1 4.13Å; Y80-F177 HydrophobicContact CE2-CB 4.46Å; Y80-F177 AromaticContact CE2-CD1 3.62Å; Y80-F177 HydrophobicContact CE2-CD1 3.62Å; Y80-F177 HydrophobicContact CE2-CE1 4.42Å; Y80-F177 AromaticContact CZ-CD1 3.61Å; Y80-F177 AromaticContact CZ-CE1 3.97Å; Y80-Y178 WeakPolarHBondContact CB-OH 3.26Å; Y80-Y178 AromaticContact CD2-CE1 3.91Å; Y80-Y178 HydrophobicContact CD2-CE1 3.91Å; Y80-K329 HydrophobicContact CD1-CD 3.97Å; Y80-K329 HydrophobicContact CD1-CG 4.07Å; Y80-K329 HydrophobicContact CG-CD 4.49Å; Y80-K329 HydrophobicContact CG-CG 4.19Å
81	Q	91.6	Very high	94.5	Very high	41 Å²	41	40.1 Å²	40.1	19%	0.192	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	54.4	179	-61.3	-62.1	-32.9	0	0	109.4	N78 G83 E84 K329	N78-Q81 HydrophobicContact CB-CB 4.13Å; N78-Q81 HydrophobicContact CB-CG 4.36Å; N78-Q81 VanDerWaalsContact ND2-CG 3.33Å; N78-Q81 WeakPolarHBondContact ND2-CG 3.2Å; N78-Q81 CarbonylContact O-C 3.57Å; N78-Q81 PolarHBondContact O-N 3.25Å; Q81-G83 PolarHBondContact O-N 3.27Å; Q81-E84 HydrophobicContact CB-CB 4.41Å; Q81-E84 VanDerWaalsContact O-CB 3.22Å; Q81-E84 WeakPolarHBondContact O-CB 3.47Å; Q81-E84 PolarHBondContact O-N 3.22Å; Q81-K329 PolarHBondContact NE2-O 2.98Å
82	N	89.6	Confident	94.6	Very high	168 Å²	168	39.2 Å²	39.2	90%	0.898	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	22.1	-179.5	-57.7	-41.5	0	0	0	115.1	E84	N82-E84 VanDerWaalsContact C-N 3.33Å
83	G	89.2	Confident	94.6	Very high	14 Å²	14	38.3 Å²	38.3	14%	0.144	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	24.9	-176.6	0	0	0	0	0	113.7	R77 N78 Q81	R77-G83 WeakPolarHBondContact CG-O 3.22Å; R77-G83 PolarHBondContact NE-O 3.3Å; N78-G83 WeakPolarHBondContact O-CA 3.41Å; N78-G83 PolarHBondContact O-N 3.36Å; Q81-G83 PolarHBondContact O-N 3.27Å
84	E	93.5	Very high	94.5	Very high	74 Å²	74	41.5 Å²	41.5	35%	0.346	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	145.3	173.8	-171.2	-173.2	-164.7	0	0	111.4	H36 R77 N78 Q81 N82 Q86	H36-E84 IonicContact CD2-OE1 3.51Å; R77-E84 CarbonylContact C-O 3.41Å; R77-E84 WeakPolarHBondContact CA-O 3.42Å; N78-E84 PolarHBondContact N-O 3.03Å; Q81-E84 HydrophobicContact CB-CB 4.41Å; Q81-E84 VanDerWaalsContact O-CB 3.22Å; Q81-E84 WeakPolarHBondContact O-CB 3.47Å; Q81-E84 PolarHBondContact O-N 3.22Å; N82-E84 VanDerWaalsContact C-N 3.33Å; E84-Q86 HydrophobicContact CB-CG 4.41Å; E84-Q86 HydrophobicContact CG-CG 4.2Å; E84-Q86 PolarHBondContact OE2-NE2 2.91Å
85	N	94.8	Very high	94.5	Very high	60 Å²	60	39.7 Å²	39.7	32%	0.321	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.5	171.7	-69.2	-29.6	0	0	0	109.4	F25 M75	F25-N85 HydrophobicContact CZ-CB 3.89Å; F25-N85 VanDerWaalsContact CZ-CG 3.47Å; M75-N85 HydrophobicContact CE-CB 3.68Å; M75-N85 WeakPolarHBondContact CE-O 3.46Å
86	Q	96.6	Very high	94.4	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143	-176.4	-66.3	-179.1	-34.3	0	0	110.2	H36 V38 M75 Y76 N78 E84	H36-Q86 CarbonylContact O-C 3.57Å; H36-Q86 VanDerWaalsContact O-CA 3.27Å; H36-Q86 WeakPolarHBondContact O-CA 3.38Å; H36-Q86 WeakPolarHBondContact O-CB 2.99Å; V38-Q86 HydrophobicContact CG1-CB 3.72Å; M75-Q86 CarbonylContact C-O 3.5Å; M75-Q86 VanDerWaalsContact CA-O 3.28Å; M75-Q86 WeakPolarHBondContact CA-O 3.44Å; Y76-Q86 PolarHBondContact N-O 3.33Å; Y76-Q86 PolarHBondContact O-N 3.1Å; N78-Q86 HydrophobicContact CB-CG 4.44Å; N78-Q86 PolarHBondContact ND2-OE1 2.99Å; E84-Q86 HydrophobicContact CB-CG 4.41Å; E84-Q86 HydrophobicContact CG-CG 4.2Å; E84-Q86 PolarHBondContact OE2-NE2 2.91Å
87	K	97	Very high	94.3	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	159.7	180	68.9	-174.9	177.1	-164.7	0	111.7	C32 A35 H36 F37 V38 W66 K74 M75	C32-K87 PolarHBondContact O-NZ 3.1Å; A35-K87 HydrophobicContact CB-CB 4.41Å; A35-K87 HydrophobicContact CB-CD 4.46Å; A35-K87 HydrophobicContact CB-CG 4.48Å; A35-K87 WeakPolarHBondContact O-CD 3.14Å; A35-K87 WeakPolarHBondContact O-CE 3.31Å; A35-K87 PolarHBondContact O-NZ 3.43Å; H36-K87 PolarHBondContact O-N 2.93Å; F37-K87 WeakPolarHBondContact CA-O 3.47Å; F37-K87 HydrophobicContact CD1-CG 3.89Å; F37-K87 HydrophobicContact CE1-CG 4.07Å; F37-K87 HydrophobicContact CG-CG 4.21Å; V38-K87 PolarHBondContact N-O 3.14Å; V38-K87 VanDerWaalsContact N-O 3.09Å; W66-K87 HydrophobicContact CB-CD 4.31Å; W66-K87 HydrophobicContact CD2-CD 4.19Å; W66-K87 HydrophobicContact CG-CD 4.06Å; K74-K87 WeakPolarHBondContact O-CA 3.48Å; M75-K87 HydrophobicContact CG-CB 4.45Å
88	V	97.2	Very high	94.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.186	C	C	.	.			trans	-127.2	155.9	172.5	-60.6	0	0	0	0	110.5	V38 K74 Y76 V92 W95	V38-V88 HydrophobicContact CB-CG1 4.45Å; V38-V88 HydrophobicContact CG1-CG1 3.79Å; V38-V88 HydrophobicContact CG2-CG1 3.77Å; K74-V88 HydrophobicContact CB-CG2 3.96Å; K74-V88 HydrophobicContact CD-CG2 3.98Å; K74-V88 HydrophobicContact CG-CG2 4.1Å; K74-V88 PolarHBondContact O-N 3.19Å; K74-V88 VanDerWaalsContact O-N 3.09Å; Y76-V88 HydrophobicContact CD2-CG1 3.69Å; Y76-V88 HydrophobicContact CD2-CG2 4.17Å; Y76-V88 HydrophobicContact CE2-CB 4.49Å; Y76-V88 HydrophobicContact CE2-CG1 3.9Å; Y76-V88 HydrophobicContact CE2-CG2 3.74Å; V88-V92 HydrophobicContact CB-CB 4.12Å; V88-V92 HydrophobicContact CB-CG1 4.03Å; V88-V92 HydrophobicContact CG1-CG1 4.29Å; V88-V92 HydrophobicContact CG2-CB 4.43Å; V88-V92 HydrophobicContact CG2-CG1 4.42Å; V88-W95 HydrophobicContact CG1-CB 4.34Å; V88-W95 HydrophobicContact CG1-CG 4.44Å
89	P	97.4	Very high	93.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.			trans	-61.9	156.9	171.9	-20.8	33	0	0	0	112.1	F37 Y41 T63 T65 S91 V92	F37-P89 HydrophobicContact CD1-CG 4.24Å; F37-P89 HydrophobicContact CE1-CG 3.86Å; Y41-P89 HydrophobicContact CD2-CG 3.57Å; Y41-P89 HydrophobicContact CE2-CG 4.33Å; Y41-P89 HydrophobicContact CG-CG 4.43Å; T63-P89 WeakPolarHBondContact O-CB 3.5Å; T63-P89 WeakPolarHBondContact O-CG 3.22Å; T65-P89 CarbonylContact O-C 3.48Å; T65-P89 VanDerWaalsContact O-CA 3.24Å; T65-P89 WeakPolarHBondContact O-CA 3.44Å; P89-S91 PolarHBondContact O-N 3.23Å; P89-V92 HydrophobicContact CB-CG2 4.15Å; P89-V92 HydrophobicContact CG-CG2 3.99Å; P89-V92 PolarHBondContact O-N 2.94Å
90	V	96.4	Very high	93.1	Very high	34 Å²	34	47 Å²	47	21%	0.206	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.9	176.6	-58.9	0	0	0	0	112.2	T65 L68 V92 P187	T65-V90 HydrophobicContact CG2-CG1 4.1Å; T65-V90 HydrophobicContact CG2-CG2 4.01Å; T65-V90 PolarHBondContact O-N 3.03Å; L68-V90 HydrophobicContact CD2-CB 4.46Å; L68-V90 HydrophobicContact CD2-CG1 3.85Å; V90-V92 VanDerWaalsContact C-N 3.26Å; V90-V92 PolarHBondContact O-N 3.29Å; V90-P187 HydrophobicContact CG2-CG 3.89Å
91	S	97.1	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.9	176.2	55.9	0	0	0	0	113.4	D62 P89 L182 T183	D62-S91 VanDerWaalsContact O-CB 3.32Å; D62-S91 WeakPolarHBondContact O-CB 3.15Å; D62-S91 PolarHBondContact O-OG 3.2Å; P89-S91 PolarHBondContact O-N 3.23Å; S91-L182 CarbonylContact O-C 3.44Å; S91-L182 WeakPolarHBondContact O-CA 3.33Å; S91-T183 PolarHBondContact O-N 3.1Å
92	V	97.1	Very high	91.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.7	-175.3	173.4	0	0	0	0	112.1	K74 V88 P89 V90 W95 Y180 L182	K74-V92 PolarHBondContact NZ-O 2.03Å; V88-V92 HydrophobicContact CB-CB 4.12Å; V88-V92 HydrophobicContact CB-CG1 4.03Å; V88-V92 HydrophobicContact CG1-CG1 4.29Å; V88-V92 HydrophobicContact CG2-CB 4.43Å; V88-V92 HydrophobicContact CG2-CG1 4.42Å; P89-V92 HydrophobicContact CB-CG2 4.15Å; P89-V92 HydrophobicContact CG-CG2 3.99Å; P89-V92 PolarHBondContact O-N 2.94Å; V90-V92 VanDerWaalsContact C-N 3.26Å; V90-V92 PolarHBondContact O-N 3.29Å; V92-W95 HydrophobicContact CG1-CB 4.5Å; V92-Y180 HydrophobicContact CB-CD2 4.47Å; V92-Y180 HydrophobicContact CG1-CD2 3.74Å; V92-Y180 HydrophobicContact CG1-CE2 4.46Å; V92-Y180 HydrophobicContact CG1-CG 3.87Å; V92-Y180 HydrophobicContact CG2-CD2 4.01Å; V92-Y180 HydrophobicContact CG2-CE2 3.99Å; V92-L182 HydrophobicContact CG2-CD2 4.08Å
93	V	95	Very high	91.4	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.115	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	161.3	176.2	-61.8	0	0	0	0	111.9	W95 R181 T183	V93-W95 PolarHBondContact O-N 2.76Å; V93-W95 VanDerWaalsContact O-N 3.14Å; V93-R181 HydrophobicContact CG2-CG 3.56Å; V93-R181 VanDerWaalsContact CG2-CZ 3.44Å; V93-R181 WeakPolarHBondContact CG2-O 3.29Å; V93-R181 PolarHBondContact N-O 3Å; V93-R181 PolarHBondContact O-N 2.98Å; V93-R181 VanDerWaalsContact O-N 3.07Å; V93-R181 VanDerWaalsContact O-O 3.04Å; V93-T183 HydrophobicContact CG1-CG2 3.58Å
94	D	94.8	Very high	91.4	Very high	67 Å²	67	46.5 Å²	46.5	36%	0.358	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.2	30.7	177.2	-57.4	-19.6	0	0	0	114.6	R96 R181	D94-R96 PolarHBondContact O-N 3.29Å; D94-R96 PolarHBondContact O-NE 2.82Å; D94-R181 HydrophobicContact CB-CG 4.48Å; D94-R181 IonicContact OD1-NH2 2.65Å; D94-R181 IonicContact OD2-CZ 3.96Å; D94-R181 IonicContact OD2-NE 2.66Å; D94-R181 PolarHBondContact OD2-NE 2.84Å; D94-R181 IonicContact OD2-NH2 3.17Å; D94-R181 PolarHBondContact OD2-NH2 2.97Å
95	W	96.5	Very high	91.2	Very high	5 Å²	5	44 Å²	44	2%	0.019	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	131.5	173	-175.6	95.2	0	0	0	110.1	V38 Y76 N78 V88 V92 V93 Y178 R179 Y180	V38-W95 HydrophobicContact CB-CD2 4.47Å; V38-W95 HydrophobicContact CB-CZ2 3.93Å; V38-W95 HydrophobicContact CG1-CD2 3.99Å; V38-W95 HydrophobicContact CG1-CE3 4.48Å; V38-W95 HydrophobicContact CG1-CG 4.43Å; V38-W95 HydrophobicContact CG1-CH2 4.3Å; V38-W95 HydrophobicContact CG1-CZ2 3.78Å; V38-W95 HydrophobicContact CG2-CG 4.42Å; Y76-W95 HydrophobicContact CD1-CB 4.45Å; Y76-W95 AromaticContact CD1-CE3 3.81Å; Y76-W95 HydrophobicContact CD1-CE3 3.81Å; Y76-W95 WeakPolarHBondContact CD1-O 3.45Å; Y76-W95 HydrophobicContact CD2-CB 4.09Å; Y76-W95 HydrophobicContact CD2-CE3 4.25Å; Y76-W95 HydrophobicContact CE1-CB 4.25Å; Y76-W95 WeakPolarHBondContact CE1-O 3.33Å; Y76-W95 HydrophobicContact CE2-CB 3.89Å; Y76-W95 HydrophobicContact CG-CB 4.36Å; Y76-W95 HydrophobicContact CG-CD2 4.34Å; Y76-W95 AromaticContact CG-CE3 3.57Å; Y76-W95 HydrophobicContact CG-CE3 3.57Å; Y76-W95 HydrophobicContact CG-CZ3 4.25Å; N78-W95 HydrophobicContact CB-CH2 3.84Å; V88-W95 HydrophobicContact CG1-CB 4.34Å; V88-W95 HydrophobicContact CG1-CG 4.44Å; V92-W95 HydrophobicContact CG1-CB 4.5Å; V93-W95 PolarHBondContact O-N 2.76Å; V93-W95 VanDerWaalsContact O-N 3.14Å; W95-Y178 HydrophobicContact CH2-CD1 4.15Å; W95-Y178 HydrophobicContact CH2-CE1 4.17Å; W95-Y178 AromaticContact CZ2-CD1 3.41Å; W95-Y178 HydrophobicContact CZ2-CD1 3.41Å; W95-Y178 VanDerWaalsContact CZ2-CD1 3.41Å; W95-Y178 AromaticContact CZ2-CE1 3.66Å; W95-Y178 HydrophobicContact CZ2-CE1 3.66Å; W95-Y178 HydrophobicContact CZ2-CG 4.35Å; W95-R179 CarbonylContact C-O 3.52Å; W95-R179 WeakPolarHBondContact CA-O 3.37Å; W95-Y180 AromaticContact CD1-CD1 3.79Å
96	R	93.6	Very high	91.1	Very high	90 Å²	90	44.1 Å²	44.1	34%	0.34	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	151.5	177.3	69.8	-172.2	91.2	179.8	6.2	110.7	D94 Y178 R179	D94-R96 PolarHBondContact O-N 3.29Å; D94-R96 PolarHBondContact O-NE 2.82Å; R96-Y178 CarbonylContact O-C 3.41Å; R96-Y178 WeakPolarHBondContact O-CA 3.44Å; R96-R179 HydrophobicContact CG-CB 4.39Å; R96-R179 PolarHBondContact N-O 3.05Å; R96-R179 PolarHBondContact O-N 3.33Å
97	S	92.9	Very high	91	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	145.9	168.4	48.4	0	0	0	0	111.9	R79 F177	R79-S97 WeakPolarHBondContact CG-OG 3.5Å; R79-S97 PolarHBondContact NE-OG 3.35Å; R79-S97 PolarHBondContact NH2-O 3.31Å; S97-F177 CarbonylContact C-O 3.22Å; S97-F177 WeakPolarHBondContact CA-O 3.46Å
98	F	89.8	Confident	91	Very high	56 Å²	56	49.3 Å²	49.3	25%	0.246	26%	0.261	C	S	.	.			trans	-93	133.5	173.8	-65.1	-68.4	0	0	0	110.1	Y80 N176 F177 R179 Y226	Y80-F98 VanDerWaalsContact CE2-O 3.26Å; Y80-F98 WeakPolarHBondContact CE2-O 3.29Å; Y80-F98 VanDerWaalsContact CZ-O 3.26Å; Y80-F98 PolarHBondContact OH-O 2.72Å; F98-N176 HydrophobicContact CD2-CB 4.15Å; F98-N176 HydrophobicContact CE2-CB 4.33Å; F98-F177 PolarHBondContact N-O 3.45Å; F98-R179 HydrophobicContact CE2-CB 3.63Å; F98-R179 HydrophobicContact CZ-CB 3.68Å; F98-Y226 AromaticContact CE2-CD1 3.94Å; F98-Y226 HydrophobicContact CE2-CD1 3.94Å; F98-Y226 HydrophobicContact CE2-CE1 4.35Å; F98-Y226 HydrophobicContact CZ-CD1 4.02Å; F98-Y226 AromaticContact CZ-CE1 3.95Å; F98-Y226 HydrophobicContact CZ-CE1 3.95Å
99	P	82.8	Confident	90.9	Very high	92 Å²	92	51.9 Å²	51.9	60%	0.597	28%	0.275	S	S	*	.	S	Bend	trans	-81.1	-13.1	-174.5	31.9	-36.4	0	0	0	114.7
100	K	80.3	Confident	90.8	Very high	185 Å²	185	52.4 Å²	52.4	80%	0.804	28%	0.277	S	S	*	.			trans	-136	131.9	-175.6	-67.8	-174.4	179	-178.3	0	110.2
101	C	81.7	Confident	90.6	Very high	44 Å²	44	53.8 Å²	53.8	30%	0.297	28%	0.283	S	S	.	.			trans	-113.1	127.7	168.2	173.4	0	0	0	0	108.9	C175 F177	C101-C175 HydrophobicContact CB-CB 4.39Å; C101-C175 WeakPolarHBondContact CB-SG 3.45Å; C101-C175 WeakPolarHBondContact SG-CA 3.18Å; C101-C175 WeakPolarHBondContact SG-CB 3.48Å; C101-C175 CovalentContact SG-SG 2.01Å; C101-C175 PolarHBondContact SG-SG 3.4Å; C101-F177 HydrophobicContact CB-CZ 4.48Å
102	S	73.6	Confident	90.4	Very high	73 Å²	73	54.1 Å²	54.1	51%	0.51	29%	0.285	S	S	.	.			trans	-114.6	98.1	176.2	-178.6	0	0	0	0	109.2	K104	S102-K104 PolarHBondContact O-N 2.74Å; S102-K104 VanDerWaalsContact O-N 3.09Å; S102-K104 VanDerWaalsContact OG-CE 3.31Å; S102-K104 WeakPolarHBondContact OG-CE 2.91Å
103	M	83.1	Confident	90.2	Very high	24 Å²	24	54.3 Å²	54.3	12%	0.118	29%	0.286	C	S	.	.			trans	-73	98.8	174.5	-64.9	-66.4	-75.8	0	0	109.5	V173 C175 F264 W324 L325	M103-V173 HydrophobicContact CB-CG2 3.94Å; M103-V173 HydrophobicContact CE-CB 4.21Å; M103-V173 HydrophobicContact CE-CG1 3.78Å; M103-V173 HydrophobicContact CE-CG2 3.41Å; M103-V173 VanDerWaalsContact CE-CG2 3.41Å; M103-V173 HydrophobicContact SD-CG2 3.89Å; M103-C175 HydrophobicContact SD-CB 3.64Å; M103-F264 HydrophobicContact CB-CD1 3.98Å; M103-F264 HydrophobicContact CE-CD1 4.19Å; M103-F264 HydrophobicContact CE-CE1 3.72Å; M103-W324 HydrophobicContact CE-CH2 4.27Å; M103-W324 HydrophobicContact CE-CZ3 3.55Å; M103-W324 HydrophobicContact SD-CZ3 4.45Å; M103-L325 HydrophobicContact SD-CD1 4.48Å
104	K	87.6	Confident	90.1	Very high	125 Å²	125	54 Å²	54	54%	0.543	28%	0.283	S	S	.	.			trans	-125.2	132.1	174.4	-68.8	179.1	-179.8	174.9	0	108.8	S102 S106	S102-K104 PolarHBondContact O-N 2.74Å; S102-K104 VanDerWaalsContact O-N 3.09Å; S102-K104 VanDerWaalsContact OG-CE 3.31Å; S102-K104 WeakPolarHBondContact OG-CE 2.91Å; K104-S106 PolarHBondContact O-N 3.3Å
105	V	91	Very high	89.9	Confident	21 Å²	21	52.6 Å²	52.6	13%	0.127	28%	0.279	C	S	.	.			trans	-71	123.1	175.3	-177.8	0	0	0	0	108.9	Q171 S172 T257 A260 F264	V105-Q171 HydrophobicContact CG1-CB 4.18Å; V105-Q171 HydrophobicContact CG1-CG 4.33Å; V105-S172 CarbonylContact C-O 3.59Å; V105-S172 WeakPolarHBondContact CA-O 3.49Å; V105-T257 HydrophobicContact CG1-CG2 4.16Å; V105-A260 HydrophobicContact CG1-CB 4.17Å; V105-A260 HydrophobicContact CG2-CB 4.4Å; V105-F264 HydrophobicContact CG2-CD2 3.67Å; V105-F264 HydrophobicContact CG2-CE2 4.24Å; V105-F264 HydrophobicContact CG2-CG 4.43Å
106	S	92.3	Very high	89.8	Confident	63 Å²	63	52.4 Å²	52.4	44%	0.441	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	152.3	163.6	65.2	0	0	0	0	109.3	K104 Q171 S172	K104-S106 PolarHBondContact O-N 3.3Å; S106-Q171 CarbonylContact O-C 3.53Å; S106-Q171 VanDerWaalsContact O-CA 3.26Å; S106-Q171 WeakPolarHBondContact O-CA 3.27Å; S106-S172 PolarHBondContact N-O 2.9Å; S106-S172 PolarHBondContact O-N 3.19Å; S106-S172 PolarHBondContact OG-O 2.91Å
107	S	94.4	Very high	89.8	Confident	37 Å²	37	48.1 Å²	48.1	26%	0.259	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.5	-179.2	-171.5	0	0	0	0	110.2	R170 S253 T257	S107-R170 CarbonylContact C-O 3.59Å; S107-R170 WeakPolarHBondContact CA-O 3.47Å; S107-S253 PolarHBondContact OG-OG 2.77Å; S107-T257 WeakPolarHBondContact CB-OG1 3.44Å; S107-T257 PolarHBondContact OG-OG1 3.28Å
108	M	95.8	Very high	89.6	Confident	96 Å²	96	52.8 Å²	52.8	47%	0.473	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.6	177.5	-71.4	-68.9	-78.1	0	0	109.7	Y110 V169 R170	M108-Y110 HydrophobicContact CB-CE1 4.44Å; M108-Y110 HydrophobicContact CB-CE2 3.85Å; M108-Y110 WeakPolarHBondContact CB-OH 3.04Å; M108-V169 CarbonylContact O-C 3.54Å; M108-V169 WeakPolarHBondContact O-CA 3.39Å; M108-R170 PolarHBondContact N-O 3.17Å; M108-R170 PolarHBondContact O-N 3.31Å
109	L	96.3	Very high	89.7	Confident	56 Å²	56	52.2 Å²	52.2	29%	0.293	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.1	175.3	176.1	67.1	0	0	0	109.6	V169 F237 A249	L109-V169 HydrophobicContact CD1-CG2 3.96Å; L109-F237 HydrophobicContact CD1-CE1 4.46Å; L109-F237 HydrophobicContact CD1-CZ 4.41Å; L109-A249 HydrophobicContact CD1-CB 4.12Å; L109-A249 HydrophobicContact CD2-CB 3.85Å
110	Y	94.9	Very high	90.2	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.4	177.4	-49.1	-88.2	0	0	0	110.2	M108 S112 L116 D119 F168 R170	M108-Y110 HydrophobicContact CB-CE1 4.44Å; M108-Y110 HydrophobicContact CB-CE2 3.85Å; M108-Y110 WeakPolarHBondContact CB-OH 3.04Å; Y110-S112 PolarHBondContact O-N 2.73Å; Y110-L116 HydrophobicContact CD1-CB 4.46Å; Y110-L116 HydrophobicContact CD2-CD1 3.74Å; Y110-L116 HydrophobicContact CE2-CD1 3.66Å; Y110-L116 HydrophobicContact CG-CB 4.21Å; Y110-L116 HydrophobicContact CG-CD1 4.21Å; Y110-D119 HydrophobicContact CD1-CB 4.45Å; Y110-D119 HydrophobicContact CE1-CB 3.49Å; Y110-D119 VanDerWaalsContact CE1-CB 3.49Å; Y110-D119 PolarHBondContact OH-OD2 3.33Å; Y110-F168 HydrophobicContact CD2-CB 4.22Å; Y110-F168 PolarHBondContact N-O 3.3Å; Y110-F168 PolarHBondContact O-N 2.86Å; Y110-R170 HydrophobicContact CE2-CB 3.64Å
111	D	92	Very high	90.8	Very high	64 Å²	64	40.9 Å²	40.9	34%	0.342	23%	0.232	S	C	.	.	S	Bend	trans	-71.1	-16.3	180	-59.9	-25.7	0	0	0	112.4
112	S	92.3	Very high	91.3	Very high	7 Å²	7	42.2 Å²	42.2	5%	0.049	24%	0.241	C	C	.	.	S	Bend	trans	-153.3	161.5	-177.3	68.7	0	0	0	0	112.6	Y110 E114 S115 L116 D387	Y110-S112 PolarHBondContact O-N 2.73Å; S112-E114 VanDerWaalsContact C-N 3.25Å; S112-E114 VanDerWaalsContact CB-OE2 3.27Å; S112-E114 WeakPolarHBondContact CB-OE2 3.1Å; S112-E114 PolarHBondContact O-N 2.97Å; S112-E114 PolarHBondContact OG-OE2 3.22Å; S112-S115 PolarHBondContact N-OG 2.89Å; S112-S115 VanDerWaalsContact N-OG 3.16Å; S112-S115 PolarHBondContact O-N 2.81Å; S112-S115 PolarHBondContact O-OG 3.29Å; S112-S115 PolarHBondContact OG-N 3.44Å; S112-S115 PolarHBondContact OG-OG 2.98Å; S112-L116 PolarHBondContact O-N 2.85Å; S112-D387 WeakPolarHBondContact CB-OD2 3.36Å
113	V	93.8	Very high	92.2	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-29	173.2	65.3	0	0	0	0	111.5	S115 L116 V117 G157 M158 F168 T548	V113-S115 VanDerWaalsContact C-N 3.33Å; V113-S115 PolarHBondContact O-N 3.12Å; V113-L116 WeakPolarHBondContact O-CB 3.48Å; V113-L116 PolarHBondContact O-N 3.2Å; V113-L116 VanDerWaalsContact O-N 3.15Å; V113-V117 HydrophobicContact CG2-CG2 4.44Å; V113-V117 VanDerWaalsContact O-CG2 3.31Å; V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 3.18Å; V113-G157 VanDerWaalsContact CG2-C 3.47Å; V113-M158 HydrophobicContact CG2-CB 4.5Å; V113-M158 HydrophobicContact CG2-CG 3.72Å; V113-F168 HydrophobicContact CB-CE2 3.91Å; V113-F168 HydrophobicContact CB-CZ 4.19Å; V113-T548 HydrophobicContact CG1-CG2 4.13Å
114	E	91.9	Very high	92.8	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-37	177	-62.4	74.9	-160.6	0	0	111.3	S112 V117 N118 K371 T548 N550	S112-E114 VanDerWaalsContact C-N 3.25Å; S112-E114 VanDerWaalsContact CB-OE2 3.27Å; S112-E114 WeakPolarHBondContact CB-OE2 3.1Å; S112-E114 PolarHBondContact O-N 2.97Å; S112-E114 PolarHBondContact OG-OE2 3.22Å; E114-V117 PolarHBondContact O-N 3.17Å; E114-N118 WeakPolarHBondContact O-CB 2.98Å; E114-N118 PolarHBondContact O-N 3.36Å; E114-K371 HydrophobicContact CB-CD 4.37Å; E114-K371 HydrophobicContact CG-CG 4.45Å; E114-T548 WeakPolarHBondContact OE1-CB 3.5Å; E114-T548 PolarHBondContact OE1-OG1 2.99Å; E114-N550 VanDerWaalsContact OE1-C 3.26Å; E114-N550 WeakPolarHBondContact OE1-CA 3.26Å; E114-N550 PolarHBondContact OE1-N 2.85Å
115	S	91.6	Very high	93.2	Very high	39 Å²	39	36 Å²	36	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-67.4	-35.7	171.1	41.1	0	0	0	0	112.7	S112 V113 N118 D119	S112-S115 PolarHBondContact N-OG 2.89Å; S112-S115 VanDerWaalsContact N-OG 3.16Å; S112-S115 PolarHBondContact O-N 2.81Å; S112-S115 PolarHBondContact O-OG 3.29Å; S112-S115 PolarHBondContact OG-N 3.44Å; S112-S115 PolarHBondContact OG-OG 2.98Å; V113-S115 VanDerWaalsContact C-N 3.33Å; V113-S115 PolarHBondContact O-N 3.12Å; S115-N118 PolarHBondContact O-N 3.05Å; S115-D119 PolarHBondContact O-N 2.7Å; S115-D119 VanDerWaalsContact O-N 3.16Å
116	L	93.8	Very high	93.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-43.7	174.2	179.9	68.3	0	0	0	111.5	Y110 S112 V113 D119 S120 F168 T234	Y110-L116 HydrophobicContact CD1-CB 4.46Å; Y110-L116 HydrophobicContact CD2-CD1 3.74Å; Y110-L116 HydrophobicContact CE2-CD1 3.66Å; Y110-L116 HydrophobicContact CG-CB 4.21Å; Y110-L116 HydrophobicContact CG-CD1 4.21Å; S112-L116 PolarHBondContact O-N 2.85Å; V113-L116 WeakPolarHBondContact O-CB 3.48Å; V113-L116 PolarHBondContact O-N 3.2Å; V113-L116 VanDerWaalsContact O-N 3.15Å; L116-D119 PolarHBondContact O-N 2.98Å; L116-S120 PolarHBondContact O-N 3.09Å; L116-S120 PolarHBondContact O-OG 2.87Å; L116-F168 HydrophobicContact CD2-CB 4.49Å; L116-F168 HydrophobicContact CD2-CD1 4.26Å; L116-F168 HydrophobicContact CD2-CG 4.2Å; L116-T234 HydrophobicContact CD1-CG2 4.24Å; L116-T234 HydrophobicContact CD2-CG2 4.12Å
117	V	93.5	Very high	93.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-48.5	175.2	171.9	0	0	0	0	110.4	V113 E114 D119 S120 S154 M158	V113-V117 HydrophobicContact CG2-CG2 4.44Å; V113-V117 VanDerWaalsContact O-CG2 3.31Å; V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 3.18Å; E114-V117 PolarHBondContact O-N 3.17Å; V117-D119 PolarHBondContact O-N 3.46Å; V117-S120 WeakPolarHBondContact O-CB 3.22Å; V117-S120 PolarHBondContact O-N 2.91Å; V117-S120 PolarHBondContact O-OG 3.02Å; V117-S154 WeakPolarHBondContact CG2-OG 3.21Å; V117-M158 HydrophobicContact CG2-CE 3.38Å
118	N	89.6	Confident	93.5	Very high	100 Å²	100	37.3 Å²	37.3	54%	0.535	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-32.3	-177.7	-169.3	41.8	0	0	0	112.9	E114 S115	E114-N118 WeakPolarHBondContact O-CB 2.98Å; E114-N118 PolarHBondContact O-N 3.36Å; S115-N118 PolarHBondContact O-N 3.05Å
119	D	91.9	Very high	93.4	Very high	44 Å²	44	36.8 Å²	36.8	24%	0.235	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.9	176.6	-171.2	72.8	0	0	0	113.7	Y110 S115 L116 V117 T121 S122 R170	Y110-D119 HydrophobicContact CD1-CB 4.45Å; Y110-D119 HydrophobicContact CE1-CB 3.49Å; Y110-D119 VanDerWaalsContact CE1-CB 3.49Å; Y110-D119 PolarHBondContact OH-OD2 3.33Å; S115-D119 PolarHBondContact O-N 2.7Å; S115-D119 VanDerWaalsContact O-N 3.16Å; L116-D119 PolarHBondContact O-N 2.98Å; V117-D119 PolarHBondContact O-N 3.46Å; D119-T121 PolarHBondContact O-N 2.93Å; D119-T121 VanDerWaalsContact O-N 3.13Å; D119-S122 VanDerWaalsContact O-CB 3.26Å; D119-S122 WeakPolarHBondContact O-CB 3.1Å; D119-S122 PolarHBondContact O-N 3.44Å; D119-S122 PolarHBondContact O-OG 3.23Å; D119-R170 IonicContact OD2-NH1 2.69Å
120	S	92.2	Very high	93.3	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.07	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.8	-175.6	-67.9	0	0	0	0	113.3	M53 L116 V117 S122 S154	M53-S120 WeakPolarHBondContact CE-O 3.35Å; L116-S120 PolarHBondContact O-N 3.09Å; L116-S120 PolarHBondContact O-OG 2.87Å; V117-S120 WeakPolarHBondContact O-CB 3.22Å; V117-S120 PolarHBondContact O-N 2.91Å; V117-S120 PolarHBondContact O-OG 3.02Å; S120-S122 VanDerWaalsContact C-N 3.31Å; S120-S122 PolarHBondContact O-N 2.91Å; S120-S154 PolarHBondContact OG-OG 2.99Å
121	T	93.1	Very high	93.1	Very high	30 Å²	30	41 Å²	41	18%	0.184	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	9.6	176	65.7	0	0	0	0	114.3	I50 M53 D119 S123 V124	I50-T121 HydrophobicContact CD1-CG2 4.07Å; I50-T121 HydrophobicContact CG1-CG2 4.47Å; M53-T121 HydrophobicContact SD-CG2 3.93Å; D119-T121 PolarHBondContact O-N 2.93Å; D119-T121 VanDerWaalsContact O-N 3.13Å; T121-S123 PolarHBondContact O-N 2.98Å; T121-V124 WeakPolarHBondContact O-CB 3.14Å; T121-V124 PolarHBondContact O-N 2.82Å
122	S	91.9	Very high	93.2	Very high	71 Å²	71	38.9 Å²	38.9	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.4	-175.9	53	0	0	0	0	114.8	D119 S120 V124	D119-S122 VanDerWaalsContact O-CB 3.26Å; D119-S122 WeakPolarHBondContact O-CB 3.1Å; D119-S122 PolarHBondContact O-N 3.44Å; D119-S122 PolarHBondContact O-OG 3.23Å; S120-S122 VanDerWaalsContact C-N 3.31Å; S120-S122 PolarHBondContact O-N 2.91Å; S122-V124 VanDerWaalsContact C-N 3.29Å
123	S	92.4	Very high	93	Very high	13 Å²	13	44.9 Å²	44.9	9%	0.091	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-16	172	-66.4	0	0	0	0	113.6	T121 K232 Y337	T121-S123 PolarHBondContact O-N 2.98Å; S123-K232 PolarHBondContact OG-NZ 2.72Å; S123-Y337 PolarHBondContact O-N 2.62Å
124	V	96.8	Very high	92.3	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.091	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-83.2	115.9	176	-171	0	0	0	0	109.2	I50 M53 T121 S122 W128 Y337 L339	I50-V124 HydrophobicContact CD1-CG2 4.07Å; M53-V124 HydrophobicContact CE-CG2 4.01Å; T121-V124 WeakPolarHBondContact O-CB 3.14Å; T121-V124 PolarHBondContact O-N 2.82Å; S122-V124 VanDerWaalsContact C-N 3.29Å; V124-W128 HydrophobicContact CG1-CB 4.1Å; V124-W128 HydrophobicContact CG1-CG 4.43Å; V124-Y337 WeakPolarHBondContact CA-O 3.46Å; V124-Y337 HydrophobicContact CG2-CD2 4.42Å; V124-Y337 HydrophobicContact CG2-CE2 3.77Å; V124-L339 HydrophobicContact CG1-CB 4.31Å; V124-L339 HydrophobicContact CG1-CD1 3.97Å; V124-L339 HydrophobicContact CG1-CG 4.03Å; V124-L339 HydrophobicContact CG2-CD1 3.86Å
125	S	95.7	Very high	90.9	Very high	64 Å²	64	48.8 Å²	48.8	45%	0.448	28%	0.279	S	S	.	.			trans	-86	-16.5	-169.2	-60.9	0	0	0	0	114.6	Y337 N338	S125-Y337 PolarHBondContact N-O 3.2Å; S125-N338 WeakPolarHBondContact CB-OD1 3.12Å
126	N	95.8	Very high	89.3	Confident	47 Å²	47	49.2 Å²	49.2	25%	0.251	28%	0.28	S	S	.	.	S	Bend	trans	-111.5	167.3	175.7	72.9	-56.7	0	0	0	111.5	W128 N338 L339	N126-W128 PolarHBondContact O-N 3.03Å; N126-N338 HydrophobicContact CB-CB 4.36Å; N126-N338 WeakPolarHBondContact OD1-CA 3Å; N126-N338 WeakPolarHBondContact OD1-CB 3.43Å; N126-L339 PolarHBondContact ND2-O 2.81Å; N126-L339 PolarHBondContact OD1-N 3.06Å
127	D	94.1	Very high	87.2	Confident	90 Å²	90	53.4 Å²	53.4	48%	0.481	30%	0.303	S	S	.	.			trans	-72.1	97.8	167.5	-173.6	2.1	0	0	0	109.8	K129 I130	D127-K129 PolarHBondContact O-N 3.44Å; D127-K129 VanDerWaalsContact OD1-CB 3.31Å; D127-K129 WeakPolarHBondContact OD1-CB 3.45Å; D127-K129 PolarHBondContact OD1-N 2.82Å; D127-I130 HydrophobicContact CB-CD1 3.91Å; D127-I130 HydrophobicContact CB-CG1 3.95Å; D127-I130 WeakPolarHBondContact O-CG1 3.47Å; D127-I130 PolarHBondContact O-N 2.87Å
128	W	94.8	Very high	85	Confident	11 Å²	11	58.7 Å²	58.7	4%	0.042	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.9	179.2	60.6	-97.4	0	0	0	112.9	I50 V124 N126 I130 L132 I134 L146 H220 L339 I364	I50-W128 HydrophobicContact CD1-CD2 3.96Å; I50-W128 HydrophobicContact CD1-CG 3.99Å; I50-W128 HydrophobicContact CG1-CD2 3.75Å; I50-W128 HydrophobicContact CG1-CE3 3.93Å; I50-W128 HydrophobicContact CG1-CG 4.31Å; I50-W128 HydrophobicContact CG1-CH2 4.05Å; I50-W128 HydrophobicContact CG1-CZ2 3.88Å; I50-W128 HydrophobicContact CG1-CZ3 4.1Å; I50-W128 HydrophobicContact CG2-CH2 4.42Å; I50-W128 HydrophobicContact CG2-CZ3 4.21Å; V124-W128 HydrophobicContact CG1-CB 4.1Å; V124-W128 HydrophobicContact CG1-CG 4.43Å; N126-W128 PolarHBondContact O-N 3.03Å; W128-I130 VanDerWaalsContact C-N 3.26Å; W128-I130 PolarHBondContact O-N 2.87Å; W128-L132 HydrophobicContact CE3-CD1 4.36Å; W128-L132 HydrophobicContact CZ3-CD1 4.2Å; W128-I134 HydrophobicContact CH2-CD1 4.38Å; W128-I134 HydrophobicContact CZ3-CD1 4.12Å; W128-L146 HydrophobicContact CH2-CB 3.91Å; W128-L146 HydrophobicContact CZ2-CB 4.1Å; W128-H220 AromaticContact CE3-CE1 3.7Å; W128-H220 AromaticContact CE3-NE2 3.55Å; W128-H220 PolarHBondContact O-NE2 2.74Å; W128-L339 HydrophobicContact CB-CB 4.16Å; W128-I364 HydrophobicContact CH2-CG2 4.16Å; W128-I364 HydrophobicContact CZ3-CD1 3.98Å; W128-I364 HydrophobicContact CZ3-CG2 4.44Å
129	K	93.6	Very high	82.9	Confident	86 Å²	86	58.5 Å²	58.5	37%	0.374	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-12.4	-179.2	-56.7	169.9	-170	169.6	0	112.5	D127 G131 L132 L146	D127-K129 PolarHBondContact O-N 3.44Å; D127-K129 VanDerWaalsContact OD1-CB 3.31Å; D127-K129 WeakPolarHBondContact OD1-CB 3.45Å; D127-K129 PolarHBondContact OD1-N 2.82Å; K129-G131 PolarHBondContact O-N 3.07Å; K129-L132 WeakPolarHBondContact O-CB 3.48Å; K129-L132 PolarHBondContact O-N 3.02Å; K129-L146 HydrophobicContact CD-CD1 4.33Å
130	I	93	Very high	81	Confident	119 Å²	119	58.9 Å²	58.9	61%	0.61	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	123	179.8	-66	174.5	0	0	0	110	D127 W128 P341	D127-I130 HydrophobicContact CB-CD1 3.91Å; D127-I130 HydrophobicContact CB-CG1 3.95Å; D127-I130 WeakPolarHBondContact O-CG1 3.47Å; D127-I130 PolarHBondContact O-N 2.87Å; W128-I130 VanDerWaalsContact C-N 3.26Å; W128-I130 PolarHBondContact O-N 2.87Å; I130-P341 WeakPolarHBondContact O-CG 3.32Å
131	G	91.8	Very high	78.9	Confident	34 Å²	34	61.2 Å²	61.2	35%	0.351	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	-7.5	-176.2	0	0	0	0	0	114.2	K129 H343 K357	K129-G131 PolarHBondContact O-N 3.07Å; G131-H343 PolarHBondContact O-CE1 3.16Å; G131-H343 PolarHBondContact O-NE2 3.49Å; G131-K357 WeakPolarHBondContact O-CE 3.3Å; G131-K357 PolarHBondContact O-NZ 3.38Å
132	L	93.4	Very high	77.2	Confident	20 Å²	20	65.5 Å²	65.5	11%	0.105	39%	0.39	C	S	.	.			trans	-104	140.7	174.6	-56.5	175.8	0	0	0	111.1	W128 K129 I134 P341 V360 E361 I364	W128-L132 HydrophobicContact CE3-CD1 4.36Å; W128-L132 HydrophobicContact CZ3-CD1 4.2Å; K129-L132 WeakPolarHBondContact O-CB 3.48Å; K129-L132 PolarHBondContact O-N 3.02Å; L132-I134 HydrophobicContact CB-CD1 4.19Å; L132-I134 HydrophobicContact CB-CG1 3.97Å; L132-I134 HydrophobicContact CD1-CD1 4.11Å; L132-P341 HydrophobicContact CD1-CB 4.42Å; L132-P341 HydrophobicContact CD1-CG 4.02Å; L132-P341 HydrophobicContact CD2-CB 3.84Å; L132-P341 HydrophobicContact CD2-CG 3.98Å; L132-P341 HydrophobicContact CG-CB 4.15Å; L132-P341 HydrophobicContact CG-CG 3.72Å; L132-V360 HydrophobicContact CD1-CG1 4.32Å; L132-V360 HydrophobicContact CD2-CG1 3.9Å; L132-E361 HydrophobicContact CB-CG 4.17Å; L132-E361 HydrophobicContact CD2-CG 3.97Å; L132-I364 HydrophobicContact CD1-CD1 3.85Å
133	E	88.7	Confident	76	Confident	133 Å²	133	63.4 Å²	63.4	62%	0.621	38%	0.379	S	S	*	.			trans	-100.3	83.4	171.4	-71.1	166.1	-141.7	0	0	108.5	P135 K357 E361	E133-P135 WeakPolarHBondContact O-CD 3.4Å; E133-K357 IonicContact OE1-NZ 3.12Å; E133-K357 PolarHBondContact OE1-NZ 2.9Å; E133-E361 PolarHBondContact N-OE1 3.01Å
134	I	79	Confident	75.4	Confident	23 Å²	23	63.2 Å²	63.2	12%	0.118	38%	0.377	C	S	.	.			trans	-100.4	96.6	176.3	-55.8	179.4	0	0	0	107.3	W128 L132 V136 L146 I364 L365	W128-I134 HydrophobicContact CH2-CD1 4.38Å; W128-I134 HydrophobicContact CZ3-CD1 4.12Å; L132-I134 HydrophobicContact CB-CD1 4.19Å; L132-I134 HydrophobicContact CB-CG1 3.97Å; L132-I134 HydrophobicContact CD1-CD1 4.11Å; I134-V136 VanDerWaalsContact C-N 3.3Å; I134-V136 PolarHBondContact O-N 2.8Å; I134-L146 HydrophobicContact CG2-CD1 4.1Å; I134-L146 HydrophobicContact CG2-CD2 3.89Å; I134-I364 HydrophobicContact CD1-CG2 4.01Å; I134-L365 HydrophobicContact CG2-CD2 3.56Å; I134-L365 HydrophobicContact CG2-CG 4.09Å
135	P	63.5	Low	74.9	Confident	74 Å²	74	62.7 Å²	62.7	48%	0.481	38%	0.375	S	S	.	.			trans	-70.4	89.4	178.7	29.9	-35.3	0	0	0	109.2	E133 F562	E133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-F562 HydrophobicContact CB-CE1 4.27Å; P135-F562 HydrophobicContact CG-CE1 3.9Å; P135-F562 HydrophobicContact CG-CZ 4.28Å
136	V	56.5	Low	74.5	Confident	48 Å²	48	60 Å²	60	29%	0.291	36%	0.356	S	S	.	.			trans	-91.5	109.2	159.1	-95.6	0	0	0	0	106.2	I134 V144 L146	I134-V136 VanDerWaalsContact C-N 3.3Å; I134-V136 PolarHBondContact O-N 2.8Å; V136-V144 HydrophobicContact CG1-CB 4.23Å; V136-V144 HydrophobicContact CG1-CG1 4.11Å; V136-V144 HydrophobicContact CG1-CG2 4.22Å; V136-L146 HydrophobicContact CG1-CD2 4.48Å
137	D	50.8	Low	74.3	Confident	89 Å²	89	58 Å²	58	48%	0.476	35%	0.345	S	S	.	.			trans	-46.8	126.2	169.5	-179.5	-32.2	0	0	0	108	S139 V140 S141	D137-S139 PolarHBondContact O-N 2.92Å; D137-S139 VanDerWaalsContact OD1-CB 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.5Å; D137-S139 PolarHBondContact OD1-N 2.96Å; D137-S139 PolarHBondContact OD1-OG 3.35Å; D137-S139 PolarHBondContact OD2-OG 3.17Å; D137-V140 HydrophobicContact CB-CB 4Å; D137-V140 HydrophobicContact CB-CG2 3.78Å; D137-V140 CarbonylContact O-C 3.57Å; D137-V140 WeakPolarHBondContact O-CA 3.29Å; D137-V140 PolarHBondContact O-N 2.95Å; D137-S141 PolarHBondContact O-N 2.95Å
138	P	45.7	Very low	74.4	Confident	111 Å²	111	53.7 Å²	53.7	72%	0.721	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.6	-179.5	-25.5	33	0	0	0	113	V140 S141	P138-V140 VanDerWaalsContact C-N 3.29Å; P138-V140 PolarHBondContact O-N 2.83Å; P138-S141 PolarHBondContact O-OG 3.26Å
139	S	47.1	Very low	74.4	Confident	97 Å²	97	53.2 Å²	53.2	68%	0.678	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.4	175.6	71.9	0	0	0	0	114.2	D137	D137-S139 PolarHBondContact O-N 2.92Å; D137-S139 VanDerWaalsContact OD1-CB 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.5Å; D137-S139 PolarHBondContact OD1-N 2.96Å; D137-S139 PolarHBondContact OD1-OG 3.35Å; D137-S139 PolarHBondContact OD2-OG 3.17Å
140	V	50.4	Low	74.5	Confident	52 Å²	52	50.9 Å²	50.9	32%	0.315	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-15.6	180	-173.7	0	0	0	0	111.9	D137 P138 V142 V144 L370	D137-V140 HydrophobicContact CB-CB 4Å; D137-V140 HydrophobicContact CB-CG2 3.78Å; D137-V140 CarbonylContact O-C 3.57Å; D137-V140 WeakPolarHBondContact O-CA 3.29Å; D137-V140 PolarHBondContact O-N 2.95Å; P138-V140 VanDerWaalsContact C-N 3.29Å; P138-V140 PolarHBondContact O-N 2.83Å; V140-V142 PolarHBondContact O-N 3.24Å; V140-V142 VanDerWaalsContact O-N 3.1Å; V140-V144 HydrophobicContact CG1-CG2 4.14Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.33Å; V140-L370 HydrophobicContact CG1-CD1 3.43Å; V140-L370 VanDerWaalsContact CG1-CD1 3.43Å
141	S	49.3	Very low	74.7	Confident	59 Å²	59	45.7 Å²	45.7	41%	0.413	29%	0.285	S	S	.	.			trans	-56.3	-28.8	-178.7	67	0	0	0	0	113.7	D137 P138 G143	D137-S141 PolarHBondContact O-N 2.95Å; P138-S141 PolarHBondContact O-OG 3.26Å; S141-G143 PolarHBondContact O-N 3.44Å; S141-G143 VanDerWaalsContact O-N 3.16Å
142	V	56.6	Low	74.9	Confident	120 Å²	120	50.5 Å²	50.5	73%	0.727	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	104.1	171.6	-178.5	0	0	0	0	109.3	V140	V140-V142 PolarHBondContact O-N 3.24Å; V140-V142 VanDerWaalsContact O-N 3.1Å
143	G	67	Low	75	Confident	26 Å²	26	49.6 Å²	49.6	27%	0.268	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.8	20.6	176	0	0	0	0	0	115.4	S141 K371	S141-G143 PolarHBondContact O-N 3.44Å; S141-G143 VanDerWaalsContact O-N 3.16Å; G143-K371 VanDerWaalsContact O-CB 3.22Å; G143-K371 WeakPolarHBondContact O-CB 3.48Å; G143-K371 PolarHBondContact O-N 2.78Å
144	V	79.9	Confident	75.4	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.055	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.1	170.3	-178	0	0	0	0	110.6	V136 V140 L146 A368 V369 L370 L554	V136-V144 HydrophobicContact CG1-CB 4.23Å; V136-V144 HydrophobicContact CG1-CG1 4.11Å; V136-V144 HydrophobicContact CG1-CG2 4.22Å; V140-V144 HydrophobicContact CG1-CG2 4.14Å; V140-V144 VanDerWaalsContact O-CG2 3.3Å; V140-V144 WeakPolarHBondContact O-CG2 3.33Å; V144-L146 HydrophobicContact CG1-CD2 3.68Å; V144-L146 HydrophobicContact CG1-CG 3.95Å; V144-L146 PolarHBondContact O-N 3.43Å; V144-A368 HydrophobicContact CG1-CB 4.24Å; V144-V369 CarbonylContact C-O 3.57Å; V144-V369 WeakPolarHBondContact CA-O 3.33Å; V144-L370 HydrophobicContact CG2-CD1 3.58Å; V144-L554 HydrophobicContact CG1-CD1 4.14Å
145	G	85.9	Confident	76.2	Confident	4 Å²	4	46.9 Å²	46.9	4%	0.041	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	99.1	169.7	0	0	0	0	0	110.9	A368 V369	G145-A368 WeakPolarHBondContact O-CA 3.42Å; G145-V369 PolarHBondContact N-O 3.08Å; G145-V369 PolarHBondContact O-N 2.83Å
146	L	88.8	Confident	77.8	Confident	9 Å²	9	45.1 Å²	45.1	5%	0.047	26%	0.26	C	S	.	.			trans	-83.4	-45.3	-177.9	-66.9	171.4	0	0	0	113.2	W128 K129 I134 V136 V144 I364 A368	W128-L146 HydrophobicContact CH2-CB 3.91Å; W128-L146 HydrophobicContact CZ2-CB 4.1Å; K129-L146 HydrophobicContact CD-CD1 4.33Å; I134-L146 HydrophobicContact CG2-CD1 4.1Å; I134-L146 HydrophobicContact CG2-CD2 3.89Å; V136-L146 HydrophobicContact CG1-CD2 4.48Å; V144-L146 HydrophobicContact CG1-CD2 3.68Å; V144-L146 HydrophobicContact CG1-CG 3.95Å; V144-L146 PolarHBondContact O-N 3.43Å; L146-I364 HydrophobicContact CB-CG2 4.33Å; L146-A368 HydrophobicContact CD2-CB 3.82Å
147	G	91.1	Very high	79.8	Confident	4 Å²	4	42.9 Å²	42.9	4%	0.041	25%	0.246	C	C	.	.	S	Bend	trans	-107.8	152.9	177.9	0	0	0	0	0	111.2	I50 S149	I50-G147 CarbonylContact O-C 3.58Å; I50-G147 VanDerWaalsContact O-CA 3.28Å; I50-G147 WeakPolarHBondContact O-CA 3.34Å; G147-S149 PolarHBondContact O-N 2.99Å
148	G	95.3	Very high	81.8	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	67.9	10.4	-179.8	0	0	0	0	0	115.7	I50 V51 M53 H150 S151 S154	I50-G148 PolarHBondContact O-N 3.28Å; V51-G148 CarbonylContact O-C 3.47Å; V51-G148 WeakPolarHBondContact O-CA 3.36Å; V51-G148 PolarHBondContact O-N 2.97Å; M53-G148 VanDerWaalsContact CG-CA 3.43Å; G148-H150 PolarHBondContact O-N 3.44Å; G148-H150 VanDerWaalsContact O-N 3.17Å; G148-S151 WeakPolarHBondContact O-CB 3.48Å; G148-S151 PolarHBondContact O-N 3.46Å; G148-S151 PolarHBondContact O-OG 2.9Å; G148-S154 VanDerWaalsContact O-CB 3.28Å; G148-S154 WeakPolarHBondContact O-CB 3.22Å; G148-S154 PolarHBondContact O-OG 3.24Å
149	S	95.1	Very high	84.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.6	177.2	58.7	0	0	0	0	114	V51 G147 M158 N367	V51-S149 PolarHBondContact O-N 2.82Å; G147-S149 PolarHBondContact O-N 2.99Å; S149-M158 WeakPolarHBondContact O-CE 3.31Å; S149-N367 VanDerWaalsContact CB-O 3.27Å; S149-N367 WeakPolarHBondContact CB-O 3.05Å; S149-N367 PolarHBondContact OG-O 2.85Å
150	H	96.1	Very high	86.5	Confident	38 Å²	38	39.5 Å²	39.5	18%	0.176	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	24.1	176.1	-60.8	49.2	0	0	0	110.6	V51 T52 G148 Y547	V51-H150 HydrophobicContact CG1-CB 4.03Å; V51-H150 PolarHBondContact O-N 3.01Å; T52-H150 HydrophobicContact CG2-CB 4.26Å; G148-H150 PolarHBondContact O-N 3.44Å; G148-H150 VanDerWaalsContact O-N 3.17Å; H150-Y547 PolarHBondContact CD2-OH 3.16Å; H150-Y547 VanDerWaalsContact CD2-OH 3.25Å; H150-Y547 AromaticContact CE1-CE1 3.91Å; H150-Y547 AromaticContact CE1-CZ 3.78Å; H150-Y547 AromaticContact NE2-CZ 3.69Å; H150-Y547 PolarHBondContact NE2-OH 3.18Å
151	S	96.9	Very high	88.6	Confident	10 Å²	10	37.2 Å²	37.2	7%	0.07	19%	0.191	C	C	.	.	S	Bend	trans	-66.5	149.3	168.9	60.6	0	0	0	0	110.4	T52 G148 A153 S154 E155	T52-S151 WeakPolarHBondContact O-CA 3.28Å; T52-S151 WeakPolarHBondContact O-CB 3.3Å; G148-S151 WeakPolarHBondContact O-CB 3.48Å; G148-S151 PolarHBondContact O-N 3.46Å; G148-S151 PolarHBondContact O-OG 2.9Å; S151-A153 PolarHBondContact O-N 3.01Å; S151-S154 CarbonylContact O-C 3.46Å; S151-S154 WeakPolarHBondContact O-CA 3.48Å; S151-S154 WeakPolarHBondContact O-CB 3.18Å; S151-S154 PolarHBondContact O-N 3.48Å; S151-S154 VanDerWaalsContact OG-CB 3.23Å; S151-S154 WeakPolarHBondContact OG-CB 3.48Å; S151-S154 PolarHBondContact OG-N 3.37Å; S151-S154 PolarHBondContact OG-OG 2.61Å; S151-E155 PolarHBondContact O-N 3.09Å
152	R	96.4	Very high	90.8	Very high	134 Å²	134	37 Å²	37	51%	0.506	18%	0.182	S	C	.	.	H	α-helix	trans	-54.2	-40	-179.9	-62.7	173.9	64.9	-165.3	0.6	112.5	F156 F298	R152-F156 WeakPolarHBondContact O-CB 3.47Å; R152-F156 PolarHBondContact O-N 3.35Å; R152-F298 HydrophobicContact CB-CE1 3.8Å; R152-F298 HydrophobicContact CB-CE2 4.13Å; R152-F298 HydrophobicContact CB-CZ 3.34Å; R152-F298 HydrophobicContact CG-CZ 4.42Å
153	A	95.8	Very high	92.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-38.2	174.5	0	0	0	0	0	112.7	S151 G157 F298	S151-A153 PolarHBondContact O-N 3.01Å; A153-G157 PolarHBondContact O-N 2.83Å; A153-F298 HydrophobicContact CB-CD1 3.78Å; A153-F298 HydrophobicContact CB-CE1 3.83Å
154	S	96.1	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-48.2	175.6	-73.2	0	0	0	0	111.3	V117 S120 G148 S151 F156 G157 M158	V117-S154 WeakPolarHBondContact CG2-OG 3.21Å; S120-S154 PolarHBondContact OG-OG 2.99Å; G148-S154 VanDerWaalsContact O-CB 3.28Å; G148-S154 WeakPolarHBondContact O-CB 3.22Å; G148-S154 PolarHBondContact O-OG 3.24Å; S151-S154 CarbonylContact O-C 3.46Å; S151-S154 WeakPolarHBondContact O-CA 3.48Å; S151-S154 WeakPolarHBondContact O-CB 3.18Å; S151-S154 PolarHBondContact O-N 3.48Å; S151-S154 VanDerWaalsContact OG-CB 3.23Å; S151-S154 WeakPolarHBondContact OG-CB 3.48Å; S151-S154 PolarHBondContact OG-N 3.37Å; S151-S154 PolarHBondContact OG-OG 2.61Å; S154-F156 VanDerWaalsContact C-N 3.31Å; S154-F156 PolarHBondContact O-N 2.97Å; S154-G157 CarbonylContact O-C 3.56Å; S154-G157 PolarHBondContact O-N 2.77Å; S154-M158 WeakPolarHBondContact O-CB 3.35Å; S154-M158 WeakPolarHBondContact O-CG 3.37Å; S154-M158 PolarHBondContact O-N 2.96Å
155	E	96.6	Very high	94.4	Very high	99 Å²	99	34.9 Å²	34.9	46%	0.463	16%	0.16	S	C	.	.	H	α-helix	trans	-58.2	-42.4	176.3	-67.4	-171.5	159.1	0	0	112.4	S151 M158 K159	S151-E155 PolarHBondContact O-N 3.09Å; E155-M158 PolarHBondContact O-N 3.32Å; E155-K159 PolarHBondContact O-N 3.09Å
156	F	97.4	Very high	94.9	Very high	38 Å²	38	35.6 Å²	35.6	17%	0.167	16%	0.162	C	C	.	.	H	α-helix	trans	-55	-52.6	171	167.6	-100.2	0	0	0	111.2	R152 S154 M158 K159 K160 S236 F298	R152-F156 WeakPolarHBondContact O-CB 3.47Å; R152-F156 PolarHBondContact O-N 3.35Å; S154-F156 VanDerWaalsContact C-N 3.31Å; S154-F156 PolarHBondContact O-N 2.97Å; F156-M158 VanDerWaalsContact C-N 3.31Å; F156-M158 PolarHBondContact O-N 3.39Å; F156-K159 PolarHBondContact O-N 3.37Å; F156-K160 HydrophobicContact CE2-CG 4.29Å; F156-K160 HydrophobicContact CZ-CG 4.21Å; F156-K160 WeakPolarHBondContact O-CG 3.3Å; F156-K160 PolarHBondContact O-N 3.49Å; F156-S236 WeakPolarHBondContact CZ-OG 3.45Å; F156-F298 HydrophobicContact CB-CB 4.23Å; F156-F298 HydrophobicContact CB-CG 4.41Å; F156-F298 HydrophobicContact CD1-CB 3.8Å; F156-F298 HydrophobicContact CD2-CB 4.04Å; F156-F298 HydrophobicContact CE1-CB 4.15Å; F156-F298 HydrophobicContact CE2-CB 4.36Å; F156-F298 HydrophobicContact CG-CB 3.75Å; F156-F298 HydrophobicContact CG-CG 4.44Å; F156-F298 HydrophobicContact CZ-CB 4.42Å
157	G	96.7	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-36.4	179.7	0	0	0	0	0	113.2	V113 A153 S154 K160 S161 F168	V113-G157 VanDerWaalsContact CG2-C 3.47Å; A153-G157 PolarHBondContact O-N 2.83Å; S154-G157 CarbonylContact O-C 3.56Å; S154-G157 PolarHBondContact O-N 2.77Å; G157-K160 PolarHBondContact O-N 3Å; G157-S161 WeakPolarHBondContact O-CB 3.37Å; G157-S161 PolarHBondContact O-N 2.86Å; G157-F168 VanDerWaalsContact CA-CE1 3.45Å; G157-F168 WeakPolarHBondContact O-CZ 3.44Å
158	M	94.8	Very high	95.6	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.039	16%	0.163	C	C	.	.	H	α-helix	trans	-66.4	-45.4	-179.3	-70.4	173.2	-177.3	0	0	111	V113 V117 S149 S154 E155 F156 K160 S161 K162 V369 Y547 T548	V113-M158 HydrophobicContact CG2-CB 4.5Å; V113-M158 HydrophobicContact CG2-CG 3.72Å; V117-M158 HydrophobicContact CG2-CE 3.38Å; S149-M158 WeakPolarHBondContact O-CE 3.31Å; S154-M158 WeakPolarHBondContact O-CB 3.35Å; S154-M158 WeakPolarHBondContact O-CG 3.37Å; S154-M158 PolarHBondContact O-N 2.96Å; E155-M158 PolarHBondContact O-N 3.32Å; F156-M158 VanDerWaalsContact C-N 3.31Å; F156-M158 PolarHBondContact O-N 3.39Å; M158-K160 VanDerWaalsContact C-N 3.32Å; M158-K160 PolarHBondContact O-N 2.85Å; M158-S161 PolarHBondContact O-N 3.33Å; M158-S161 PolarHBondContact O-OG 3.39Å; M158-K162 PolarHBondContact O-N 2.91Å; M158-V369 HydrophobicContact CE-CG2 4.18Å; M158-Y547 HydrophobicContact CE-CD1 3.87Å; M158-Y547 HydrophobicContact CE-CE1 3.52Å; M158-Y547 HydrophobicContact SD-CD1 3.6Å; M158-Y547 VanDerWaalsContact SD-CD1 3.6Å; M158-Y547 HydrophobicContact SD-CE1 3.14Å; M158-Y547 WeakPolarHBondContact SD-CE1 3.4Å; M158-T548 HydrophobicContact CB-CG2 4.46Å; M158-T548 HydrophobicContact CE-CG2 3.6Å; M158-T548 HydrophobicContact CG-CG2 3.52Å; M158-T548 HydrophobicContact SD-CG2 3.83Å
159	K	95.3	Very high	95.7	Very high	169 Å²	169	36.2 Å²	36.2	74%	0.735	16%	0.163	S	C	*	.	H	α-helix	trans	-57.5	-45.4	174.8	-174.1	176.9	180	178.2	0	111.4	E155 F156 K162	E155-K159 PolarHBondContact O-N 3.09Å; F156-K159 PolarHBondContact O-N 3.37Å; K159-K162 PolarHBondContact O-N 3.07Å
160	K	96.3	Very high	95.8	Very high	49 Å²	49	37.3 Å²	37.3	21%	0.213	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-46.9	177.8	-64.6	-64.6	-179.2	-178.9	0	112.2	F156 G157 M158 K162 S163 D164 Y166 F168 E296	F156-K160 HydrophobicContact CE2-CG 4.29Å; F156-K160 HydrophobicContact CZ-CG 4.21Å; F156-K160 WeakPolarHBondContact O-CG 3.3Å; F156-K160 PolarHBondContact O-N 3.49Å; G157-K160 PolarHBondContact O-N 3Å; M158-K160 VanDerWaalsContact C-N 3.32Å; M158-K160 PolarHBondContact O-N 2.85Å; K160-K162 PolarHBondContact O-N 2.89Å; K160-S163 PolarHBondContact O-N 2.86Å; K160-S163 PolarHBondContact O-OG 2.65Å; K160-D164 PolarHBondContact O-N 2.82Å; K160-Y166 HydrophobicContact CB-CD1 4.18Å; K160-Y166 HydrophobicContact CB-CD2 4.05Å; K160-Y166 HydrophobicContact CB-CE1 4.36Å; K160-Y166 HydrophobicContact CB-CE2 4.23Å; K160-Y166 HydrophobicContact CB-CG 4.02Å; K160-Y166 HydrophobicContact CD-CE1 4.23Å; K160-Y166 WeakPolarHBondContact O-CD2 3.16Å; K160-Y166 WeakPolarHBondContact O-CE2 3.42Å; K160-F168 HydrophobicContact CB-CE1 4.25Å; K160-F168 HydrophobicContact CB-CZ 4.41Å; K160-E296 WeakPolarHBondContact CD-OE2 3.48Å; K160-E296 VanDerWaalsContact CE-OE2 3.24Å; K160-E296 WeakPolarHBondContact CE-OE2 3.29Å; K160-E296 IonicContact NZ-OE2 2.74Å; K160-E296 PolarHBondContact NZ-OE2 2.88Å
161	S	94.2	Very high	95.8	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-57.6	-26.6	-179.5	78.4	0	0	0	0	113.9	G157 M158 D164 R549	G157-S161 WeakPolarHBondContact O-CB 3.37Å; G157-S161 PolarHBondContact O-N 2.86Å; M158-S161 PolarHBondContact O-N 3.33Å; M158-S161 PolarHBondContact O-OG 3.39Å; S161-D164 CarbonylContact C-O 3.53Å; S161-R549 WeakPolarHBondContact O-CB 3.38Å; S161-R549 VanDerWaalsContact O-CD 3.24Å; S161-R549 WeakPolarHBondContact O-CD 3.43Å; S161-R549 WeakPolarHBondContact O-CG 3.22Å; S161-R549 PolarHBondContact OG-N 2.93Å
162	K	93.9	Very high	95.6	Very high	54 Å²	54	35.4 Å²	35.4	24%	0.235	16%	0.158	C	C	.	.	H	α-helix	trans	-81.6	-26.1	177	-72	179.4	167.1	178.7	0	113.3	M158 K159 K160 M538 F546 Y547	M158-K162 PolarHBondContact O-N 2.91Å; K159-K162 PolarHBondContact O-N 3.07Å; K160-K162 PolarHBondContact O-N 2.89Å; K162-M538 HydrophobicContact CG-SD 3.99Å; K162-M538 WeakPolarHBondContact O-CB 3.35Å; K162-M538 PolarHBondContact O-N 3Å; K162-F546 VanDerWaalsContact CE-O 3.27Å; K162-F546 WeakPolarHBondContact CE-O 3.31Å; K162-F546 PolarHBondContact NZ-O 3.07Å; K162-Y547 WeakPolarHBondContact CE-O 3.49Å; K162-Y547 PolarHBondContact NZ-O 2.89Å
163	S	94.2	Very high	95.4	Very high	52 Å²	52	29 Å²	29	36%	0.364	13%	0.134	S	C	.	.	H	α-helix	trans	-82.4	-26.6	179.9	57.4	0	0	0	0	114.1	K160 P537	K160-S163 PolarHBondContact O-N 2.86Å; K160-S163 PolarHBondContact O-OG 2.65Å; S163-P537 VanDerWaalsContact O-CA 3.29Å; S163-P537 WeakPolarHBondContact O-CA 3.31Å; S163-P537 WeakPolarHBondContact O-CB 3.35Å
164	D	94.4	Very high	95.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.146	C	C	.	.	S	Bend	trans	-166.9	-178.3	179.3	-150.6	-15.2	0	0	0	111.3	K160 S161 Y166 Q238 Y533 S535 S536	K160-D164 PolarHBondContact O-N 2.82Å; S161-D164 CarbonylContact C-O 3.53Å; D164-Y166 HydrophobicContact CB-CD2 3.74Å; D164-Y166 HydrophobicContact CB-CE2 3.46Å; D164-Y166 VanDerWaalsContact CB-CE2 3.46Å; D164-Y166 PolarHBondContact O-N 2.89Å; D164-Q238 HydrophobicContact CB-CG 4.42Å; D164-Q238 PolarHBondContact OD2-NE2 3.07Å; D164-Y533 PolarHBondContact OD1-OH 3.14Å; D164-Y533 WeakPolarHBondContact OD2-CE1 2.96Å; D164-Y533 VanDerWaalsContact OD2-CZ 3.31Å; D164-Y533 PolarHBondContact OD2-OH 2.79Å; D164-S535 WeakPolarHBondContact OD2-CB 3.4Å; D164-S536 PolarHBondContact OD1-N 3.32Å
165	R	92.3	Very high	95.1	Very high	57 Å²	57	31.4 Å²	31.4	22%	0.215	15%	0.147	C	C	.	.			trans	-76.5	111.3	163.9	-68.7	-179.2	64.6	-165.5	-3.4	110.3	Q238 T239 N402	R165-Q238 WeakPolarHBondContact O-CA 3.14Å; R165-T239 PolarHBondContact O-N 2.8Å; R165-N402 PolarHBondContact NH1-O 2.82Å; R165-N402 VanDerWaalsContact NH1-O 3.15Å; R165-N402 PolarHBondContact NH2-O 2.95Å
166	Y	95.7	Very high	95	Very high	20 Å²	20	28.1 Å²	28.1	8%	0.078	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.4	-179.7	-83.2	-96	0	0	0	112.2	K160 D164 F237 Q238 E296	K160-Y166 HydrophobicContact CB-CD1 4.18Å; K160-Y166 HydrophobicContact CB-CD2 4.05Å; K160-Y166 HydrophobicContact CB-CE1 4.36Å; K160-Y166 HydrophobicContact CB-CE2 4.23Å; K160-Y166 HydrophobicContact CB-CG 4.02Å; K160-Y166 HydrophobicContact CD-CE1 4.23Å; K160-Y166 WeakPolarHBondContact O-CD2 3.16Å; K160-Y166 WeakPolarHBondContact O-CE2 3.42Å; D164-Y166 HydrophobicContact CB-CD2 3.74Å; D164-Y166 HydrophobicContact CB-CE2 3.46Å; D164-Y166 VanDerWaalsContact CB-CE2 3.46Å; D164-Y166 PolarHBondContact O-N 2.89Å; Y166-F237 WeakPolarHBondContact CA-O 3.15Å; Y166-F237 WeakPolarHBondContact CD1-O 3.5Å; Y166-Q238 HydrophobicContact CE1-CG 3.82Å; Y166-Q238 HydrophobicContact CE2-CG 3.9Å; Y166-Q238 VanDerWaalsContact CZ-CG 3.46Å; Y166-Q238 WeakPolarHBondContact OH-CG 2.84Å; Y166-E296 PolarHBondContact OH-OE1 2.84Å; Y166-E296 PolarHBondContact OH-OE2 2.94Å
167	E	96.4	Very high	94.9	Very high	26 Å²	26	26.7 Å²	26.7	12%	0.121	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	161	162.4	-77	161.3	147.3	0	0	108.9	S236 F237 T239 A249	E167-S236 WeakPolarHBondContact O-CA 3.34Å; E167-F237 HydrophobicContact CB-CE1 3.8Å; E167-F237 HydrophobicContact CB-CE2 3.92Å; E167-F237 HydrophobicContact CB-CZ 3.43Å; E167-F237 VanDerWaalsContact CB-CZ 3.43Å; E167-F237 HydrophobicContact CG-CZ 4.44Å; E167-F237 PolarHBondContact N-O 2.51Å; E167-F237 VanDerWaalsContact N-O 3.15Å; E167-F237 PolarHBondContact O-N 3.45Å; E167-F237 WeakPolarHBondContact OE2-CE2 3.36Å; E167-T239 HydrophobicContact CG-CG2 4.46Å; E167-T239 WeakPolarHBondContact CG-OG1 3.05Å; E167-T239 PolarHBondContact N-OG1 3Å; E167-T239 WeakPolarHBondContact OE2-CB 3.15Å; E167-T239 WeakPolarHBondContact OE2-CG2 3.27Å; E167-T239 PolarHBondContact OE2-OG1 3.36Å; E167-A249 WeakPolarHBondContact OE2-CB 3.34Å
168	F	97.7	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.3	-173.7	-53.3	-89.6	0	0	0	111.2	Y110 V113 L116 G157 K160 T235	Y110-F168 HydrophobicContact CD2-CB 4.22Å; Y110-F168 PolarHBondContact N-O 3.3Å; Y110-F168 PolarHBondContact O-N 2.86Å; V113-F168 HydrophobicContact CB-CE2 3.91Å; V113-F168 HydrophobicContact CB-CZ 4.19Å; L116-F168 HydrophobicContact CD2-CB 4.49Å; L116-F168 HydrophobicContact CD2-CD1 4.26Å; L116-F168 HydrophobicContact CD2-CG 4.2Å; G157-F168 VanDerWaalsContact CA-CE1 3.45Å; G157-F168 WeakPolarHBondContact O-CZ 3.44Å; K160-F168 HydrophobicContact CB-CE1 4.25Å; K160-F168 HydrophobicContact CB-CZ 4.41Å; F168-T235 CarbonylContact C-O 3.39Å; F168-T235 WeakPolarHBondContact CA-O 3.46Å
169	V	97.9	Very high	94.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.1	170	-168	0	0	0	0	108.5	M108 L109 T234 T235 F237	M108-V169 CarbonylContact O-C 3.54Å; M108-V169 WeakPolarHBondContact O-CA 3.39Å; L109-V169 HydrophobicContact CD1-CG2 3.96Å; V169-T234 CarbonylContact O-C 3.45Å; V169-T234 WeakPolarHBondContact O-CA 3.28Å; V169-T235 PolarHBondContact N-O 2.93Å; V169-T235 PolarHBondContact O-N 3.1Å; V169-F237 HydrophobicContact CG2-CD1 4.4Å; V169-F237 HydrophobicContact CG2-CE1 3.76Å
170	R	97.4	Very high	95	Very high	23 Å²	23	21.1 Å²	21.1	9%	0.087	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.9	170.8	-176.2	177.8	-76.7	166.6	-9.8	109.5	S107 M108 Y110 D119 A233 T234	S107-R170 CarbonylContact C-O 3.59Å; S107-R170 WeakPolarHBondContact CA-O 3.47Å; M108-R170 PolarHBondContact N-O 3.17Å; M108-R170 PolarHBondContact O-N 3.31Å; Y110-R170 HydrophobicContact CE2-CB 3.64Å; D119-R170 IonicContact OD2-NH1 2.69Å; R170-A233 CarbonylContact C-O 3.54Å; R170-A233 VanDerWaalsContact CA-O 3.31Å; R170-A233 WeakPolarHBondContact CA-O 3.26Å; R170-T234 PolarHBondContact NE-OG1 2.63Å
171	Q	95.3	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.2	164.3	-65.3	89.6	6.3	0	0	109.9	V105 S106 K232 A233 L311 F312	V105-Q171 HydrophobicContact CG1-CB 4.18Å; V105-Q171 HydrophobicContact CG1-CG 4.33Å; S106-Q171 CarbonylContact O-C 3.53Å; S106-Q171 VanDerWaalsContact O-CA 3.26Å; S106-Q171 WeakPolarHBondContact O-CA 3.27Å; Q171-K232 CarbonylContact O-C 3.47Å; Q171-K232 WeakPolarHBondContact O-CA 3.26Å; Q171-A233 PolarHBondContact N-O 3.22Å; Q171-A233 PolarHBondContact O-N 2.74Å; Q171-A233 PolarHBondContact OE1-O 2.98Å; Q171-L311 HydrophobicContact CB-CD1 3.66Å; Q171-F312 HydrophobicContact CG-CZ 4.38Å
172	S	94.1	Very high	95.2	Very high	7 Å²	7	23.3 Å²	23.3	5%	0.049	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.1	171	-172.9	0	0	0	0	111.1	V105 S106 E230 I231	V105-S172 CarbonylContact C-O 3.59Å; V105-S172 WeakPolarHBondContact CA-O 3.49Å; S106-S172 PolarHBondContact N-O 2.9Å; S106-S172 PolarHBondContact O-N 3.19Å; S106-S172 PolarHBondContact OG-O 2.91Å; S172-E230 WeakPolarHBondContact OG-CG 3.44Å; S172-E230 PolarHBondContact OG-OE1 3.12Å; S172-I231 CarbonylContact C-O 3.53Å; S172-I231 VanDerWaalsContact CA-O 3.29Å; S172-I231 WeakPolarHBondContact CA-O 3.16Å; S172-I231 PolarHBondContact OG-O 2.01Å
173	V	92.3	Very high	95.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133	163.5	69	0	0	0	0	108.2	M103 E230 I231 F264 L311	M103-V173 HydrophobicContact CB-CG2 3.94Å; M103-V173 HydrophobicContact CE-CB 4.21Å; M103-V173 HydrophobicContact CE-CG1 3.78Å; M103-V173 HydrophobicContact CE-CG2 3.41Å; M103-V173 VanDerWaalsContact CE-CG2 3.41Å; M103-V173 HydrophobicContact SD-CG2 3.89Å; V173-E230 CarbonylContact O-C 3.53Å; V173-E230 VanDerWaalsContact O-CA 3.32Å; V173-E230 WeakPolarHBondContact O-CA 2.94Å; V173-I231 HydrophobicContact CG1-CB 3.98Å; V173-I231 HydrophobicContact CG1-CD1 4.04Å; V173-I231 HydrophobicContact CG1-CG1 4.32Å; V173-I231 PolarHBondContact N-O 2.8Å; V173-I231 PolarHBondContact O-N 3.09Å; V173-F264 HydrophobicContact CG1-CE1 4.21Å; V173-F264 HydrophobicContact CG1-CE2 4.23Å; V173-F264 HydrophobicContact CG1-CZ 3.79Å; V173-F264 HydrophobicContact CG2-CD1 4.36Å; V173-F264 HydrophobicContact CG2-CE1 4.35Å; V173-L311 HydrophobicContact CB-CD2 4.32Å; V173-L311 HydrophobicContact CG1-CD2 3.69Å
174	N	92.8	Very high	95.2	Very high	49 Å²	49	25.9 Å²	25.9	26%	0.262	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.8	-179.2	65.1	45.6	0	0	0	113.5	G229 E230 V335	N174-G229 CarbonylContact C-O 3.55Å; N174-G229 VanDerWaalsContact CA-O 3.31Å; N174-G229 WeakPolarHBondContact CA-O 3.33Å; N174-E230 HydrophobicContact CB-CB 3.83Å; N174-E230 HydrophobicContact CB-CG 3.81Å; N174-E230 PolarHBondContact ND2-OE1 2.69Å; N174-V335 HydrophobicContact CB-CG1 3.72Å
175	C	92.2	Very high	95.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	128.5	-177.9	-170.3	0	0	0	0	109.5	C101 M103 F177 G228 G229 L325 L328	C101-C175 HydrophobicContact CB-CB 4.39Å; C101-C175 WeakPolarHBondContact CB-SG 3.45Å; C101-C175 WeakPolarHBondContact SG-CA 3.18Å; C101-C175 WeakPolarHBondContact SG-CB 3.48Å; C101-C175 CovalentContact SG-SG 2.01Å; C101-C175 PolarHBondContact SG-SG 3.4Å; M103-C175 HydrophobicContact SD-CB 3.64Å; C175-F177 HydrophobicContact CB-CE2 4.5Å; C175-F177 WeakPolarHBondContact SG-CE2 3.04Å; C175-G228 CarbonylContact O-C 3.29Å; C175-G228 VanDerWaalsContact O-CA 3.23Å; C175-G228 WeakPolarHBondContact O-CA 3.36Å; C175-G229 PolarHBondContact N-O 3.39Å; C175-G229 PolarHBondContact O-N 3.46Å; C175-L325 HydrophobicContact CB-CD1 4.14Å; C175-L325 WeakPolarHBondContact SG-CD1 3.25Å; C175-L328 HydrophobicContact CB-CD1 4.08Å
176	N	94.1	Very high	95.3	Very high	29 Å²	29	28.8 Å²	28.8	16%	0.155	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.3	175	-67.4	-43.9	0	0	0	110	F98 L227 V335	F98-N176 HydrophobicContact CD2-CB 4.15Å; F98-N176 HydrophobicContact CE2-CB 4.33Å; N176-L227 CarbonylContact C-O 3.59Å; N176-V335 VanDerWaalsContact OD1-CB 3.31Å; N176-V335 WeakPolarHBondContact OD1-CB 3.5Å
177	F	94.8	Very high	95.4	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-33.3	175.3	-77.1	-73.6	0	0	0	112.9	Y80 S97 F98 C101 C175 L227 L325 L328 K329	Y80-F177 HydrophobicContact CD2-CD1 4.15Å; Y80-F177 HydrophobicContact CE1-CD1 4.12Å; Y80-F177 HydrophobicContact CE1-CE1 4.13Å; Y80-F177 HydrophobicContact CE2-CB 4.46Å; Y80-F177 AromaticContact CE2-CD1 3.62Å; Y80-F177 HydrophobicContact CE2-CD1 3.62Å; Y80-F177 HydrophobicContact CE2-CE1 4.42Å; Y80-F177 AromaticContact CZ-CD1 3.61Å; Y80-F177 AromaticContact CZ-CE1 3.97Å; S97-F177 CarbonylContact C-O 3.22Å; S97-F177 WeakPolarHBondContact CA-O 3.46Å; F98-F177 PolarHBondContact N-O 3.45Å; C101-F177 HydrophobicContact CB-CZ 4.48Å; C175-F177 HydrophobicContact CB-CE2 4.5Å; C175-F177 WeakPolarHBondContact SG-CE2 3.04Å; F177-L227 PolarHBondContact N-O 2.93Å; F177-L325 HydrophobicContact CE2-CD1 3.97Å; F177-L325 HydrophobicContact CZ-CD1 3.89Å; F177-L325 HydrophobicContact CZ-CG 4.46Å; F177-L328 HydrophobicContact CD2-CB 3.64Å; F177-L328 HydrophobicContact CD2-CD1 4.46Å; F177-L328 HydrophobicContact CE2-CB 3.48Å; F177-L328 VanDerWaalsContact CE2-CB 3.48Å; F177-L328 HydrophobicContact CE2-CD1 3.96Å; F177-L328 HydrophobicContact CE2-CG 4.34Å; F177-K329 HydrophobicContact CD1-CG 4.11Å; F177-K329 HydrophobicContact CE1-CG 3.9Å; F177-K329 HydrophobicContact CE2-CG 4.49Å; F177-K329 HydrophobicContact CG-CG 4.48Å; F177-K329 HydrophobicContact CZ-CG 4.11Å
178	Y	95.8	Very high	95.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.4	-175.8	-47.6	-77.1	0	0	0	111.9	P39 N78 Y80 W95 R96 Y226 L227 K329 P332	P39-Y178 HydrophobicContact CB-CE2 4.02Å; P39-Y178 HydrophobicContact CG-CE2 4.28Å; N78-Y178 PolarHBondContact ND2-OH 2.85Å; Y80-Y178 WeakPolarHBondContact CB-OH 3.26Å; Y80-Y178 AromaticContact CD2-CE1 3.91Å; Y80-Y178 HydrophobicContact CD2-CE1 3.91Å; W95-Y178 HydrophobicContact CH2-CD1 4.15Å; W95-Y178 HydrophobicContact CH2-CE1 4.17Å; W95-Y178 AromaticContact CZ2-CD1 3.41Å; W95-Y178 HydrophobicContact CZ2-CD1 3.41Å; W95-Y178 VanDerWaalsContact CZ2-CD1 3.41Å; W95-Y178 AromaticContact CZ2-CE1 3.66Å; W95-Y178 HydrophobicContact CZ2-CE1 3.66Å; W95-Y178 HydrophobicContact CZ2-CG 4.35Å; R96-Y178 CarbonylContact O-C 3.41Å; R96-Y178 WeakPolarHBondContact O-CA 3.44Å; Y178-Y226 WeakPolarHBondContact O-CA 3.45Å; Y178-L227 HydrophobicContact CD2-CB 4.44Å; Y178-L227 PolarHBondContact N-O 2.94Å; Y178-L227 PolarHBondContact O-N 2.84Å; Y178-K329 PolarHBondContact OH-O 2.69Å; Y178-P332 HydrophobicContact CD2-CB 4.18Å; Y178-P332 HydrophobicContact CD2-CG 3.92Å; Y178-P332 HydrophobicContact CE2-CB 4.37Å; Y178-P332 HydrophobicContact CE2-CG 3.98Å
179	R	96.3	Very high	95.5	Very high	60 Å²	60	31.6 Å²	31.6	23%	0.226	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	141	167.1	174.1	-170.3	175.8	-170	-2.1	109.1	W95 R96 F98 V225 Y226	W95-R179 CarbonylContact C-O 3.52Å; W95-R179 WeakPolarHBondContact CA-O 3.37Å; R96-R179 HydrophobicContact CG-CB 4.39Å; R96-R179 PolarHBondContact N-O 3.05Å; R96-R179 PolarHBondContact O-N 3.33Å; F98-R179 HydrophobicContact CE2-CB 3.63Å; F98-R179 HydrophobicContact CZ-CB 3.68Å; R179-V225 VanDerWaalsContact CA-O 3.3Å; R179-V225 WeakPolarHBondContact CA-O 3.31Å; R179-V225 WeakPolarHBondContact CG-O 3.23Å; R179-Y226 HydrophobicContact CB-CD1 4.21Å; R179-Y226 HydrophobicContact CB-CE1 4.41Å; R179-Y226 HydrophobicContact CG-CD1 4.25Å; R179-Y226 HydrophobicContact CG-CE1 4.12Å; R179-Y226 HydrophobicContact CG-CE2 4.47Å; R179-Y226 PolarHBondContact NE-OH 2.76Å; R179-Y226 PolarHBondContact NH1-OH 3.01Å
180	Y	97.3	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	167	162.4	63.2	-95.8	0	0	0	110.5	G40 Y41 L43 G44 V92 W95 L182 Q224 V225 L227	G40-Y180 WeakPolarHBondContact O-CE1 3.28Å; G40-Y180 PolarHBondContact O-OH 3.18Å; Y41-Y180 VanDerWaalsContact C-OH 3.31Å; Y41-Y180 PolarHBondContact O-OH 3.43Å; Y41-Y180 VanDerWaalsContact O-OH 3.05Å; L43-Y180 PolarHBondContact N-OH 3.19Å; G44-Y180 PolarHBondContact N-OH 3.22Å; V92-Y180 HydrophobicContact CB-CD2 4.47Å; V92-Y180 HydrophobicContact CG1-CD2 3.74Å; V92-Y180 HydrophobicContact CG1-CE2 4.46Å; V92-Y180 HydrophobicContact CG1-CG 3.87Å; V92-Y180 HydrophobicContact CG2-CD2 4.01Å; V92-Y180 HydrophobicContact CG2-CE2 3.99Å; W95-Y180 AromaticContact CD1-CD1 3.79Å; Y180-L182 HydrophobicContact CE2-CD2 4.34Å; Y180-Q224 WeakPolarHBondContact O-CG 3.31Å; Y180-V225 HydrophobicContact CD1-CG2 3.65Å; Y180-V225 HydrophobicContact CD2-CG2 3.95Å; Y180-V225 HydrophobicContact CE1-CG2 3.34Å; Y180-V225 HydrophobicContact CE2-CG2 3.61Å; Y180-V225 HydrophobicContact CG-CG2 3.96Å; Y180-V225 PolarHBondContact N-O 2.89Å; Y180-V225 PolarHBondContact O-N 2.82Å; Y180-L227 HydrophobicContact CD1-CD1 4.3Å; Y180-L227 HydrophobicContact CE1-CD1 3.62Å; Y180-L227 HydrophobicContact CE1-CG 4.38Å
181	R	97.3	Very high	95.5	Very high	89 Å²	89	42.8 Å²	42.8	34%	0.336	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	165.2	171.1	70.1	-179.9	175.1	84.1	2.8	110.2	V93 D94 T223 Q224	V93-R181 HydrophobicContact CG2-CG 3.56Å; V93-R181 VanDerWaalsContact CG2-CZ 3.44Å; V93-R181 WeakPolarHBondContact CG2-O 3.29Å; V93-R181 PolarHBondContact N-O 3Å; V93-R181 PolarHBondContact O-N 2.98Å; V93-R181 VanDerWaalsContact O-N 3.07Å; V93-R181 VanDerWaalsContact O-O 3.04Å; D94-R181 HydrophobicContact CB-CG 4.48Å; D94-R181 IonicContact OD1-NH2 2.65Å; D94-R181 IonicContact OD2-CZ 3.96Å; D94-R181 IonicContact OD2-NE 2.66Å; D94-R181 PolarHBondContact OD2-NE 2.84Å; D94-R181 IonicContact OD2-NH2 3.17Å; D94-R181 PolarHBondContact OD2-NH2 2.97Å; R181-T223 WeakPolarHBondContact CA-O 3.42Å; R181-Q224 HydrophobicContact CB-CB 4.06Å; R181-Q224 HydrophobicContact CB-CG 3.92Å
182	L	97.5	Very high	95.6	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	158.3	173.5	-55.8	-176.3	0	0	0	111.6	I61 S91 V92 Y180 I222 T223	I61-L182 HydrophobicContact CB-CD1 4.29Å; I61-L182 HydrophobicContact CG1-CD1 3.91Å; I61-L182 HydrophobicContact CG2-CD1 4.18Å; S91-L182 CarbonylContact O-C 3.44Å; S91-L182 WeakPolarHBondContact O-CA 3.33Å; V92-L182 HydrophobicContact CG2-CD2 4.08Å; Y180-L182 HydrophobicContact CE2-CD2 4.34Å; L182-I222 VanDerWaalsContact CD1-O 3.27Å; L182-I222 WeakPolarHBondContact CD1-O 3.43Å; L182-T223 PolarHBondContact N-O 3.42Å
183	T	96.1	Very high	95.8	Very high	39 Å²	39	46 Å²	46	24%	0.239	25%	0.247	C	C	.	.			trans	-60.5	163.7	169.2	65.2	0	0	0	0	110.3	S91 V93 S185 P186	S91-T183 PolarHBondContact O-N 3.1Å; V93-T183 HydrophobicContact CG1-CG2 3.58Å; T183-S185 VanDerWaalsContact C-N 3.32Å; T183-P186 WeakPolarHBondContact O-CD 3.2Å; T183-P186 WeakPolarHBondContact OG1-CA 3.2Å; T183-P186 WeakPolarHBondContact OG1-CB 3.43Å
184	T	92.6	Very high	96	Very high	122 Å²	122	48.2 Å²	48.2	75%	0.748	27%	0.266	S	S	*	.	S	Bend	trans	-69.9	-31.2	-179.3	48.1	0	0	0	0	113
185	S	93.3	Very high	96.3	Very high	105 Å²	105	47.1 Å²	47.1	73%	0.734	26%	0.264	S	S	*	.	S	Bend	trans	-130.1	69.3	179.1	-54.5	0	0	0	0	108.9	T183	T183-S185 VanDerWaalsContact C-N 3.32Å
186	P	95.6	Very high	96.5	Very high	13 Å²	13	47 Å²	47	8%	0.084	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.4	149.1	-177.3	31.8	-34.6	0	0	0	110.8	I61 T183 I345	I61-P186 HydrophobicContact CD1-CB 4.19Å; I61-P186 HydrophobicContact CD1-CG 3.51Å; I61-P186 HydrophobicContact CG1-CG 4.08Å; I61-P186 HydrophobicContact CG2-CB 3.69Å; I61-P186 HydrophobicContact CG2-CG 4.18Å; T183-P186 WeakPolarHBondContact O-CD 3.2Å; T183-P186 WeakPolarHBondContact OG1-CA 3.2Å; T183-P186 WeakPolarHBondContact OG1-CB 3.43Å; P186-I345 HydrophobicContact CG-CD1 3.89Å
187	P	96.5	Very high	96.7	Very high	50 Å²	50	49.4 Å²	49.4	33%	0.325	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-60.3	139.8	171.6	25.3	-32.5	0	0	0	110.4	I61 D62 V90	I61-P187 WeakPolarHBondContact CG2-O 3.41Å; D62-P187 HydrophobicContact CB-CB 4.2Å; D62-P187 HydrophobicContact CB-CG 4.13Å; D62-P187 PolarHBondContact N-O 3.03Å; V90-P187 HydrophobicContact CG2-CG 3.89Å
188	L	97.8	Very high	96.7	Very high	41 Å²	41	53.2 Å²	53.2	22%	0.215	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-79	149.1	176.2	-62.6	-177.1	0	0	0	110.1	I61 F192 L193 I345	I61-L188 HydrophobicContact CD1-CD2 3.93Å; L188-F192 HydrophobicContact CD1-CD1 4.24Å; L188-F192 HydrophobicContact CD1-CE1 4.38Å; L188-F192 HydrophobicContact CD2-CD1 4.18Å; L188-F192 HydrophobicContact CD2-CE1 4.32Å; L188-L193 HydrophobicContact CB-CB 4.22Å; L188-L193 HydrophobicContact CD1-CD1 4.05Å; L188-I345 HydrophobicContact CD2-CB 4.39Å; L188-I345 HydrophobicContact CD2-CD1 4.4Å; L188-I345 HydrophobicContact CD2-CG1 3.39Å; L188-I345 HydrophobicContact CD2-CG2 4.04Å
189	S	98.1	Very high	96.8	Very high	15 Å²	15	53.5 Å²	53.5	11%	0.105	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-61.8	147.3	168.5	79.1	0	0	0	0	109.6	Y59 V60 D191 F192 L193	Y59-S189 WeakPolarHBondContact O-CB 3.11Å; Y59-S189 PolarHBondContact O-OG 2.88Å; V60-S189 PolarHBondContact O-N 3.42Å; V60-S189 VanDerWaalsContact O-N 3.09Å; S189-D191 VanDerWaalsContact C-N 3.27Å; S189-D191 PolarHBondContact O-N 2.9Å; S189-F192 PolarHBondContact O-N 3.1Å; S189-F192 WeakPolarHBondContact OG-CB 3.47Å; S189-F192 PolarHBondContact OG-N 3.07Å; S189-F192 VanDerWaalsContact OG-N 3.15Å; S189-L193 WeakPolarHBondContact O-CB 3.42Å; S189-L193 PolarHBondContact O-N 2.84Å
190	H	97.4	Very high	96.6	Very high	150 Å²	150	53.1 Å²	53.1	69%	0.694	31%	0.31	S	S	*	.	H	α-helix	trans	-55.1	-46.2	179.8	173.9	-88.4	0	0	0	111.5	L193 A194	H190-L193 PolarHBondContact O-N 3.24Å; H190-A194 WeakPolarHBondContact O-CB 3.43Å; H190-A194 PolarHBondContact O-N 3.33Å
191	D	97.8	Very high	96.3	Very high	107 Å²	107	57.8 Å²	57.8	57%	0.572	34%	0.341	S	S	*	.	H	α-helix	trans	-71.2	-40.2	-174.6	-60.1	-22.1	0	0	0	111.9	S189 A194 A195 Y217	S189-D191 VanDerWaalsContact C-N 3.27Å; S189-D191 PolarHBondContact O-N 2.9Å; D191-A194 PolarHBondContact O-N 3.45Å; D191-A195 VanDerWaalsContact O-CB 3.31Å; D191-A195 WeakPolarHBondContact O-CB 3.2Å; D191-A195 PolarHBondContact O-N 3.46Å; D191-Y217 VanDerWaalsContact C-OH 3.25Å; D191-Y217 PolarHBondContact O-OH 2.89Å
192	F	98.2	Very high	96.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-44.2	175.3	-179.9	-103.7	0	0	0	110.8	V60 L188 S189 A194 A195 V196 L213 Y217 L342 I345 L346	V60-F192 HydrophobicContact CB-CG 4.49Å; V60-F192 HydrophobicContact CG1-CD1 3.88Å; V60-F192 HydrophobicContact CG1-CD2 4.3Å; V60-F192 HydrophobicContact CG1-CE1 3.74Å; V60-F192 HydrophobicContact CG1-CE2 4.15Å; V60-F192 HydrophobicContact CG1-CG 4.16Å; V60-F192 HydrophobicContact CG1-CZ 3.87Å; V60-F192 HydrophobicContact CG2-CD2 4.25Å; V60-F192 HydrophobicContact CG2-CE2 4.31Å; L188-F192 HydrophobicContact CD1-CD1 4.24Å; L188-F192 HydrophobicContact CD1-CE1 4.38Å; L188-F192 HydrophobicContact CD2-CD1 4.18Å; L188-F192 HydrophobicContact CD2-CE1 4.32Å; S189-F192 PolarHBondContact O-N 3.1Å; S189-F192 WeakPolarHBondContact OG-CB 3.47Å; S189-F192 PolarHBondContact OG-N 3.07Å; S189-F192 VanDerWaalsContact OG-N 3.15Å; F192-A194 PolarHBondContact O-N 2.84Å; F192-A195 PolarHBondContact O-N 2.94Å; F192-V196 HydrophobicContact CD1-CG1 4.3Å; F192-V196 HydrophobicContact CD2-CG1 4.23Å; F192-V196 HydrophobicContact CE1-CG1 3.82Å; F192-V196 HydrophobicContact CE2-CG1 3.75Å; F192-V196 HydrophobicContact CG-CG1 4.5Å; F192-V196 HydrophobicContact CZ-CG1 3.53Å; F192-V196 WeakPolarHBondContact O-CG2 3.41Å; F192-V196 PolarHBondContact O-N 3.45Å; F192-L213 HydrophobicContact CE2-CD2 4.3Å; F192-Y217 WeakPolarHBondContact CA-OH 3.4Å; F192-Y217 HydrophobicContact CB-CD1 4.39Å; F192-Y217 HydrophobicContact CB-CE1 3.78Å; F192-Y217 AromaticContact CD2-CD1 3.65Å; F192-Y217 HydrophobicContact CD2-CD1 3.65Å; F192-Y217 AromaticContact CD2-CD2 3.81Å; F192-Y217 HydrophobicContact CD2-CD2 3.81Å; F192-Y217 AromaticContact CD2-CE1 3.8Å; F192-Y217 HydrophobicContact CD2-CE1 3.8Å; F192-Y217 AromaticContact CD2-CE2 3.95Å; F192-Y217 HydrophobicContact CD2-CE2 3.95Å; F192-Y217 AromaticContact CD2-CG 3.66Å; F192-Y217 HydrophobicContact CD2-CG 3.66Å; F192-Y217 AromaticContact CD2-CZ 3.95Å; F192-Y217 HydrophobicContact CE2-CD1 4.45Å; F192-Y217 HydrophobicContact CE2-CD2 4.3Å; F192-Y217 HydrophobicContact CE2-CG 4.11Å; F192-Y217 HydrophobicContact CG-CD1 4.44Å; F192-Y217 HydrophobicContact CG-CE1 4.27Å; F192-Y217 PolarHBondContact N-OH 2.79Å; F192-L342 HydrophobicContact CE2-CD2 4.38Å; F192-I345 HydrophobicContact CE1-CG2 3.71Å; F192-I345 HydrophobicContact CZ-CG2 4.13Å; F192-L346 HydrophobicContact CE1-CD2 4.36Å
193	L	97.4	Very high	95.8	Very high	74 Å²	74	58.8 Å²	58.8	39%	0.387	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-45.1	177.4	179.3	61	0	0	0	111.5	L188 S189 H190 V196 N197	L188-L193 HydrophobicContact CB-CB 4.22Å; L188-L193 HydrophobicContact CD1-CD1 4.05Å; S189-L193 WeakPolarHBondContact O-CB 3.42Å; S189-L193 PolarHBondContact O-N 2.84Å; H190-L193 PolarHBondContact O-N 3.24Å; L193-V196 WeakPolarHBondContact O-CG2 3.39Å; L193-N197 VanDerWaalsContact CD1-ND2 3.34Å; L193-N197 WeakPolarHBondContact CD1-ND2 3.46Å; L193-N197 WeakPolarHBondContact O-CB 3.32Å; L193-N197 PolarHBondContact O-N 3.4Å; L193-N197 PolarHBondContact O-ND2 3.02Å; L193-N197 VanDerWaalsContact O-ND2 3.13Å
194	A	98	Very high	95.2	Very high	48 Å²	48	60.9 Å²	60.9	40%	0.397	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-45.3	175.2	0	0	0	0	0	111.4	H190 D191 F192 N197 S198	H190-A194 WeakPolarHBondContact O-CB 3.43Å; H190-A194 PolarHBondContact O-N 3.33Å; D191-A194 PolarHBondContact O-N 3.45Å; F192-A194 PolarHBondContact O-N 2.84Å; A194-N197 PolarHBondContact O-N 3.44Å; A194-S198 WeakPolarHBondContact O-CB 3.39Å; A194-S198 PolarHBondContact O-N 3.36Å
195	A	97.9	Very high	94.8	Very high	26 Å²	26	58.7 Å²	58.7	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-50.8	180	0	0	0	0	0	111.6	D191 F192 N197 S198 L199 L213 Y217	D191-A195 VanDerWaalsContact O-CB 3.31Å; D191-A195 WeakPolarHBondContact O-CB 3.2Å; D191-A195 PolarHBondContact O-N 3.46Å; F192-A195 PolarHBondContact O-N 2.94Å; A195-N197 VanDerWaalsContact C-N 3.33Å; A195-N197 PolarHBondContact O-N 2.94Å; A195-S198 PolarHBondContact O-N 3.18Å; A195-S198 VanDerWaalsContact O-N 3.12Å; A195-S198 PolarHBondContact O-OG 3.27Å; A195-L199 PolarHBondContact O-N 2.91Å; A195-L213 HydrophobicContact CB-CD1 3.6Å; A195-Y217 HydrophobicContact CB-CE2 4.13Å
196	V	97.3	Very high	94.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-67.8	-32.4	-179.5	-61.3	0	0	0	0	113.1	F192 L193 S198 L199 L213 L346	F192-V196 HydrophobicContact CD1-CG1 4.3Å; F192-V196 HydrophobicContact CD2-CG1 4.23Å; F192-V196 HydrophobicContact CE1-CG1 3.82Å; F192-V196 HydrophobicContact CE2-CG1 3.75Å; F192-V196 HydrophobicContact CG-CG1 4.5Å; F192-V196 HydrophobicContact CZ-CG1 3.53Å; F192-V196 WeakPolarHBondContact O-CG2 3.41Å; F192-V196 PolarHBondContact O-N 3.45Å; L193-V196 WeakPolarHBondContact O-CG2 3.39Å; V196-S198 VanDerWaalsContact C-N 3.28Å; V196-L199 HydrophobicContact CB-CD1 4.47Å; V196-L199 PolarHBondContact O-N 3.21Å; V196-L213 HydrophobicContact CG1-CD1 4.07Å; V196-L213 HydrophobicContact CG1-CD2 3.96Å; V196-L346 HydrophobicContact CB-CD2 4.23Å; V196-L346 HydrophobicContact CG1-CD2 4.32Å; V196-L346 HydrophobicContact CG2-CD2 3.88Å
197	N	96.9	Very high	94.4	Very high	79 Å²	79	61.1 Å²	61.1	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-71.1	-25	174.7	-76.6	-25.4	0	0	0	112.3	L193 A194 A195 H350 R351	L193-N197 VanDerWaalsContact CD1-ND2 3.34Å; L193-N197 WeakPolarHBondContact CD1-ND2 3.46Å; L193-N197 WeakPolarHBondContact O-CB 3.32Å; L193-N197 PolarHBondContact O-N 3.4Å; L193-N197 PolarHBondContact O-ND2 3.02Å; L193-N197 VanDerWaalsContact O-ND2 3.13Å; A194-N197 PolarHBondContact O-N 3.44Å; A195-N197 VanDerWaalsContact C-N 3.33Å; A195-N197 PolarHBondContact O-N 2.94Å; N197-H350 PolarHBondContact OD1-NE2 2.99Å; N197-R351 PolarHBondContact O-NH2 2.68Å
198	S	96.4	Very high	94.4	Very high	89 Å²	89	62 Å²	62	62%	0.622	37%	0.373	S	S	*	.	H	α-helix	trans	-78.3	-21.6	177.5	79.8	0	0	0	0	113.4	A194 A195 V196	A194-S198 WeakPolarHBondContact O-CB 3.39Å; A194-S198 PolarHBondContact O-N 3.36Å; A195-S198 PolarHBondContact O-N 3.18Å; A195-S198 VanDerWaalsContact O-N 3.12Å; A195-S198 PolarHBondContact O-OG 3.27Å; V196-S198 VanDerWaalsContact C-N 3.28Å
199	L	96.3	Very high	94.3	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-59.5	130.6	-172.8	-71	171.4	0	0	0	113	A195 V196 P209 Y210 L213 R351 A352	A195-L199 PolarHBondContact O-N 2.91Å; V196-L199 HydrophobicContact CB-CD1 4.47Å; V196-L199 PolarHBondContact O-N 3.21Å; L199-P209 HydrophobicContact CD2-CB 3.73Å; L199-P209 WeakPolarHBondContact CD2-O 3.29Å; L199-Y210 HydrophobicContact CB-CE2 4.43Å; L199-Y210 HydrophobicContact CD1-CD1 3.98Å; L199-Y210 HydrophobicContact CD1-CE1 3.83Å; L199-Y210 HydrophobicContact CD2-CD2 4.37Å; L199-Y210 HydrophobicContact CD2-CG 4.39Å; L199-L213 HydrophobicContact CD1-CD2 4.17Å; L199-R351 PolarHBondContact O-NE 3.27Å; L199-R351 PolarHBondContact O-NH1 3.04Å; L199-R351 PolarHBondContact O-NH2 3.33Å; L199-A352 HydrophobicContact CB-CB 4.29Å; L199-A352 HydrophobicContact CD1-CB 3.84Å
200	P	93.6	Very high	94.3	Very high	52 Å²	52	61.6 Å²	61.6	34%	0.338	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-65.3	162.8	176.6	30.1	-35.6	0	0	0	111.4	Y202 P209 Y210	P200-Y202 PolarHBondContact O-N 3.22Å; P200-P209 HydrophobicContact CG-CB 4.47Å; P200-P209 HydrophobicContact CG-CG 4.11Å; P200-Y210 PolarHBondContact O-OH 2.9Å; P200-Y210 VanDerWaalsContact O-OH 3.1Å
201	P	91.2	Very high	94.2	Very high	98 Å²	98	60.2 Å²	60.2	64%	0.636	36%	0.361	S	S	*	.	S	Bend	trans	-51.3	134	168.7	-24.2	34.6	0	0	0	111.1	C203	P201-C203 PolarHBondContact O-N 2.66Å
202	Y	93.4	Very high	94.2	Very high	59 Å²	59	59 Å²	59	23%	0.231	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-62.8	125.3	-173	175.9	-105	0	0	0	112.2	P200 P204 A207 Y210 K358 E359	P200-Y202 PolarHBondContact O-N 3.22Å; Y202-P204 HydrophobicContact CE1-CG 3.9Å; Y202-A207 HydrophobicContact CE2-CB 4.08Å; Y202-Y210 HydrophobicContact CD2-CD2 4.19Å; Y202-Y210 HydrophobicContact CD2-CE2 4.01Å; Y202-K358 HydrophobicContact CE1-CD 4.28Å; Y202-E359 HydrophobicContact CE2-CG 3.89Å; Y202-E359 WeakPolarHBondContact CE2-OE1 3.5Å; Y202-E359 PolarHBondContact OH-OE1 3.46Å
203	C	89.8	Confident	94.2	Very high	63 Å²	63	59.4 Å²	59.4	43%	0.426	36%	0.356	S	S	.	.			trans	-136.5	122.1	171.4	-176.8	0	0	0	0	108.5	P201 G205 K206 A207	P201-C203 PolarHBondContact O-N 2.66Å; C203-G205 PolarHBondContact O-N 3.25Å; C203-G205 VanDerWaalsContact O-N 3.13Å; C203-K206 HydrophobicContact CB-CB 4.48Å; C203-K206 CarbonylContact O-C 3.51Å; C203-K206 PolarHBondContact O-N 2.95Å; C203-A207 PolarHBondContact O-N 3.17Å
204	P	83.8	Confident	94.3	Very high	83 Å²	83	56 Å²	56	54%	0.539	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-54.1	-36	-175.8	-28.4	34.1	0	0	0	114.7	Y202 K206	Y202-P204 HydrophobicContact CE1-CG 3.9Å; P204-K206 VanDerWaalsContact C-N 3.25Å; P204-K206 PolarHBondContact O-N 3.21Å
205	G	84.1	Confident	94.3	Very high	75 Å²	75	57.9 Å²	57.9	77%	0.773	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-74.9	-8.8	178.4	0	0	0	0	0	114.9	C203	C203-G205 PolarHBondContact O-N 3.25Å; C203-G205 VanDerWaalsContact O-N 3.13Å
206	K	88.8	Confident	94.3	Very high	167 Å²	167	60 Å²	60	73%	0.726	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-134.7	34	-177.9	-62.7	-174.5	179.9	-178.7	0	111.8	C203 P204 S208 P209	C203-K206 HydrophobicContact CB-CB 4.48Å; C203-K206 CarbonylContact O-C 3.51Å; C203-K206 PolarHBondContact O-N 2.95Å; P204-K206 VanDerWaalsContact C-N 3.25Å; P204-K206 PolarHBondContact O-N 3.21Å; K206-S208 PolarHBondContact O-N 2.87Å; K206-P209 WeakPolarHBondContact O-CD 3.34Å
207	A	92.4	Very high	94.3	Very high	2 Å²	2	60.9 Å²	60.9	2%	0.017	36%	0.356	C	S	.	.			trans	-81.5	7.2	-175.8	0	0	0	0	0	114.7	Y202 C203 P209 Y210 R211 E359	Y202-A207 HydrophobicContact CE2-CB 4.08Å; C203-A207 PolarHBondContact O-N 3.17Å; A207-P209 VanDerWaalsContact C-CD 3.47Å; A207-P209 VanDerWaalsContact C-N 3.35Å; A207-Y210 WeakPolarHBondContact O-CB 3.46Å; A207-Y210 PolarHBondContact O-N 3.31Å; A207-R211 PolarHBondContact O-N 3.06Å; A207-E359 VanDerWaalsContact CB-CD 3.4Å; A207-E359 HydrophobicContact CB-CG 4.01Å; A207-E359 WeakPolarHBondContact CB-OE1 3.19Å
208	S	95	Very high	94.4	Very high	69 Å²	69	57.1 Å²	57.1	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-49.8	-47.3	179.2	-158	0	0	0	0	113.2	K206 Y210 R211 D212	K206-S208 PolarHBondContact O-N 2.87Å; S208-Y210 PolarHBondContact O-N 3.26Å; S208-Y210 VanDerWaalsContact O-N 3.14Å; S208-R211 WeakPolarHBondContact O-CA 3.16Å; S208-R211 WeakPolarHBondContact O-CB 3.42Å; S208-R211 PolarHBondContact O-N 3.35Å; S208-D212 PolarHBondContact O-N 2.87Å
209	P	96.8	Very high	94.5	Very high	47 Å²	47	52.9 Å²	52.9	31%	0.305	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-29.3	-179.3	-25	36.7	0	0	0	114	L199 P200 K206 A207 L213	L199-P209 HydrophobicContact CD2-CB 3.73Å; L199-P209 WeakPolarHBondContact CD2-O 3.29Å; P200-P209 HydrophobicContact CG-CB 4.47Å; P200-P209 HydrophobicContact CG-CG 4.11Å; K206-P209 WeakPolarHBondContact O-CD 3.34Å; A207-P209 VanDerWaalsContact C-CD 3.47Å; A207-P209 VanDerWaalsContact C-N 3.35Å; P209-L213 PolarHBondContact O-N 2.77Å
210	Y	97.6	Very high	94.6	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-73.8	-34.4	175.1	-75.3	-94.8	0	0	0	111.9	L199 P200 Y202 A207 S208 L213 I214 A352 L356 E359	L199-Y210 HydrophobicContact CB-CE2 4.43Å; L199-Y210 HydrophobicContact CD1-CD1 3.98Å; L199-Y210 HydrophobicContact CD1-CE1 3.83Å; L199-Y210 HydrophobicContact CD2-CD2 4.37Å; L199-Y210 HydrophobicContact CD2-CG 4.39Å; P200-Y210 PolarHBondContact O-OH 2.9Å; P200-Y210 VanDerWaalsContact O-OH 3.1Å; Y202-Y210 HydrophobicContact CD2-CD2 4.19Å; Y202-Y210 HydrophobicContact CD2-CE2 4.01Å; A207-Y210 WeakPolarHBondContact O-CB 3.46Å; A207-Y210 PolarHBondContact O-N 3.31Å; S208-Y210 PolarHBondContact O-N 3.26Å; S208-Y210 VanDerWaalsContact O-N 3.14Å; Y210-L213 WeakPolarHBondContact O-CB 3.25Å; Y210-L213 PolarHBondContact O-N 3.2Å; Y210-I214 WeakPolarHBondContact O-CG1 3.34Å; Y210-I214 PolarHBondContact O-N 2.93Å; Y210-I214 VanDerWaalsContact O-N 3.1Å; Y210-A352 HydrophobicContact CE1-CB 4.06Å; Y210-A352 WeakPolarHBondContact CE1-O 3.3Å; Y210-A352 WeakPolarHBondContact OH-CA 3.32Å; Y210-L356 HydrophobicContact CD1-CB 4.03Å; Y210-L356 HydrophobicContact CD1-CD1 4.42Å; Y210-L356 HydrophobicContact CE1-CB 4.16Å; Y210-E359 HydrophobicContact CG-CG 4.4Å
211	R	96.5	Very high	94.8	Very high	121 Å²	121	50.6 Å²	50.6	46%	0.457	29%	0.29	S	S	.	.	H	α-helix	trans	-69.9	-41.2	174.8	-63.1	176	-171.9	159.9	4.5	110.7	A207 S208 L213 I214 D215 E359	A207-R211 PolarHBondContact O-N 3.06Å; S208-R211 WeakPolarHBondContact O-CA 3.16Å; S208-R211 WeakPolarHBondContact O-CB 3.42Å; S208-R211 PolarHBondContact O-N 3.35Å; R211-L213 PolarHBondContact O-N 2.99Å; R211-I214 CarbonylContact O-C 3.55Å; R211-I214 WeakPolarHBondContact O-CA 3.49Å; R211-I214 WeakPolarHBondContact O-CB 3.4Å; R211-I214 PolarHBondContact O-N 3.31Å; R211-D215 VanDerWaalsContact O-CG 3.32Å; R211-D215 PolarHBondContact O-N 3.12Å; R211-E359 WeakPolarHBondContact CG-OE2 3.28Å; R211-E359 IonicContact CZ-OE2 2.85Å; R211-E359 IonicContact NE-OE2 3.35Å; R211-E359 PolarHBondContact NE-OE2 3.03Å; R211-E359 IonicContact NH2-OE2 3.54Å; R211-E359 PolarHBondContact NH2-OE2 2.85Å
212	D	97.4	Very high	95.2	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-37.3	174.3	-55	-26.3	0	0	0	111.2	S208 D215 T216	S208-D212 PolarHBondContact O-N 2.87Å; D212-D215 PolarHBondContact O-N 3.19Å; D212-T216 WeakPolarHBondContact O-CB 3.32Å; D212-T216 PolarHBondContact O-N 3.06Å; D212-T216 PolarHBondContact O-OG1 2.82Å
213	L	98	Very high	95.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-43.9	172.3	-167.2	91.5	0	0	0	111.7	F192 A195 V196 L199 P209 Y210 R211 T216 Y217 L356	F192-L213 HydrophobicContact CE2-CD2 4.3Å; A195-L213 HydrophobicContact CB-CD1 3.6Å; V196-L213 HydrophobicContact CG1-CD1 4.07Å; V196-L213 HydrophobicContact CG1-CD2 3.96Å; L199-L213 HydrophobicContact CD1-CD2 4.17Å; P209-L213 PolarHBondContact O-N 2.77Å; Y210-L213 WeakPolarHBondContact O-CB 3.25Å; Y210-L213 PolarHBondContact O-N 3.2Å; R211-L213 PolarHBondContact O-N 2.99Å; L213-T216 PolarHBondContact O-N 2.84Å; L213-Y217 HydrophobicContact CD1-CD2 3.83Å; L213-Y217 HydrophobicContact CD1-CE2 3.98Å; L213-Y217 HydrophobicContact CG-CD2 4.01Å; L213-Y217 PolarHBondContact O-N 2.78Å; L213-L356 HydrophobicContact CD2-CD1 3.67Å; L213-L356 HydrophobicContact CD2-CD2 3.75Å; L213-L356 HydrophobicContact CD2-CG 4.36Å
214	I	98.2	Very high	95.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-38.5	176.8	-68.5	164.6	0	0	0	110.9	Y210 R211 T216 G218 T219 L356 E359 V360 Y363	Y210-I214 WeakPolarHBondContact O-CG1 3.34Å; Y210-I214 PolarHBondContact O-N 2.93Å; Y210-I214 VanDerWaalsContact O-N 3.1Å; R211-I214 CarbonylContact O-C 3.55Å; R211-I214 WeakPolarHBondContact O-CA 3.49Å; R211-I214 WeakPolarHBondContact O-CB 3.4Å; R211-I214 PolarHBondContact O-N 3.31Å; I214-T216 PolarHBondContact O-N 2.76Å; I214-G218 WeakPolarHBondContact CA-O 3.33Å; I214-G218 CarbonylContact O-C 3.37Å; I214-G218 WeakPolarHBondContact O-CA 3.36Å; I214-G218 PolarHBondContact O-N 2.83Å; I214-T219 HydrophobicContact CG2-CG2 4.04Å; I214-L356 HydrophobicContact CD1-CD1 4.37Å; I214-L356 HydrophobicContact CG1-CD1 4.07Å; I214-E359 HydrophobicContact CD1-CB 3.67Å; I214-V360 HydrophobicContact CD1-CG2 3.81Å; I214-V360 HydrophobicContact CG1-CG2 4Å; I214-Y363 HydrophobicContact CG2-CD1 4.37Å; I214-Y363 HydrophobicContact CG2-CD2 4.22Å; I214-Y363 HydrophobicContact CG2-CE2 4.49Å; I214-Y363 HydrophobicContact CG2-CG 4.16Å
215	D	97.9	Very high	96.5	Very high	87 Å²	87	38.2 Å²	38.2	47%	0.465	21%	0.214	S	C	.	.	H	α-helix	trans	-66.8	-28.9	177.5	-69.8	-19	0	0	0	111.5	K56 R211 D212	K56-D215 WeakPolarHBondContact CE-O 3.19Å; K56-D215 PolarHBondContact NZ-O 2.85Å; R211-D215 VanDerWaalsContact O-CG 3.32Å; R211-D215 PolarHBondContact O-N 3.12Å; D212-D215 PolarHBondContact O-N 3.19Å
216	T	98.4	Very high	97.1	Very high	71 Å²	71	36.8 Å²	36.8	44%	0.436	19%	0.186	S	C	.	.	H	α-helix	trans	-85.4	-51.6	177.6	-54.3	0	0	0	0	112.4	K56 A58 D212 L213 I214	K56-T216 WeakPolarHBondContact CB-O 3.46Å; A58-T216 HydrophobicContact CB-CG2 4.11Å; A58-T216 VanDerWaalsContact CB-O 3.29Å; A58-T216 WeakPolarHBondContact CB-O 3.39Å; D212-T216 WeakPolarHBondContact O-CB 3.32Å; D212-T216 PolarHBondContact O-N 3.06Å; D212-T216 PolarHBondContact O-OG1 2.82Å; L213-T216 PolarHBondContact O-N 2.84Å; I214-T216 PolarHBondContact O-N 2.76Å
217	Y	98.5	Very high	97.5	Very high	19 Å²	19	28.8 Å²	28.8	8%	0.075	15%	0.151	C	C	.	.	H	α-helix	trans	-105.5	-4.8	-170.8	-64.8	-82.9	0	0	0	114.1	G47 Y48 A58 Y59 V60 D191 F192 A195 L213	G47-Y217 CarbonylContact C-O 3.52Å; G47-Y217 WeakPolarHBondContact CA-O 3.1Å; Y48-Y217 PolarHBondContact N-O 2.9Å; A58-Y217 HydrophobicContact CB-CD1 3.6Å; A58-Y217 HydrophobicContact CB-CE1 3.75Å; A58-Y217 HydrophobicContact CB-CG 4.28Å; Y59-Y217 WeakPolarHBondContact O-CE1 3.29Å; V60-Y217 HydrophobicContact CG2-CD1 3.96Å; V60-Y217 HydrophobicContact CG2-CG 4.45Å; D191-Y217 VanDerWaalsContact C-OH 3.25Å; D191-Y217 PolarHBondContact O-OH 2.89Å; F192-Y217 WeakPolarHBondContact CA-OH 3.4Å; F192-Y217 HydrophobicContact CB-CD1 4.39Å; F192-Y217 HydrophobicContact CB-CE1 3.78Å; F192-Y217 AromaticContact CD2-CD1 3.65Å; F192-Y217 HydrophobicContact CD2-CD1 3.65Å; F192-Y217 AromaticContact CD2-CD2 3.81Å; F192-Y217 HydrophobicContact CD2-CD2 3.81Å; F192-Y217 AromaticContact CD2-CE1 3.8Å; F192-Y217 HydrophobicContact CD2-CE1 3.8Å; F192-Y217 AromaticContact CD2-CE2 3.95Å; F192-Y217 HydrophobicContact CD2-CE2 3.95Å; F192-Y217 AromaticContact CD2-CG 3.66Å; F192-Y217 HydrophobicContact CD2-CG 3.66Å; F192-Y217 AromaticContact CD2-CZ 3.95Å; F192-Y217 HydrophobicContact CE2-CD1 4.45Å; F192-Y217 HydrophobicContact CE2-CD2 4.3Å; F192-Y217 HydrophobicContact CE2-CG 4.11Å; F192-Y217 HydrophobicContact CG-CD1 4.44Å; F192-Y217 HydrophobicContact CG-CE1 4.27Å; F192-Y217 PolarHBondContact N-OH 2.79Å; A195-Y217 HydrophobicContact CB-CE2 4.13Å; L213-Y217 HydrophobicContact CD1-CD2 3.83Å; L213-Y217 HydrophobicContact CD1-CE2 3.98Å; L213-Y217 HydrophobicContact CG-CD2 4.01Å; L213-Y217 PolarHBondContact O-N 2.78Å
218	G	98.3	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	87.3	-163.1	178.2	0	0	0	0	0	112.9	Y48 I214 L342	Y48-G218 CarbonylContact O-C 3.58Å; I214-G218 WeakPolarHBondContact CA-O 3.33Å; I214-G218 CarbonylContact O-C 3.37Å; I214-G218 WeakPolarHBondContact O-CA 3.36Å; I214-G218 PolarHBondContact O-N 2.83Å; G218-L342 WeakPolarHBondContact O-CD1 3.27Å
219	T	98.5	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-96.8	-25.5	177.9	47.2	0	0	0	0	112.2	Y48 I50 I214 L342 V360 Y363 I364	Y48-T219 PolarHBondContact O-N 3.47Å; Y48-T219 PolarHBondContact O-OG1 3.01Å; I50-T219 WeakPolarHBondContact CG2-OG1 3.38Å; I50-T219 PolarHBondContact N-OG1 3.35Å; I214-T219 HydrophobicContact CG2-CG2 4.04Å; T219-L342 PolarHBondContact O-N 2.93Å; T219-V360 HydrophobicContact CG2-CG1 4.23Å; T219-Y363 HydrophobicContact CG2-CD1 3.39Å; T219-Y363 HydrophobicContact CG2-CE1 3.73Å; T219-Y363 HydrophobicContact CG2-CG 4.31Å; T219-I364 HydrophobicContact CG2-CD1 4.44Å; T219-I364 HydrophobicContact CG2-CG1 4.19Å
220	H	98.7	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	173.4	-174.3	-64.4	73.7	0	0	0	110.5	Y48 W128 L339 K340	Y48-H220 PolarHBondContact N-O 3.02Å; Y48-H220 PolarHBondContact O-N 3.24Å; W128-H220 AromaticContact CE3-CE1 3.7Å; W128-H220 AromaticContact CE3-NE2 3.55Å; W128-H220 PolarHBondContact O-NE2 2.74Å; H220-L339 HydrophobicContact CB-CB 4.02Å; H220-L339 HydrophobicContact CB-CD1 4.32Å; H220-L339 HydrophobicContact CB-CD2 4.26Å; H220-L339 HydrophobicContact CB-CG 4.43Å; H220-K340 CarbonylContact C-O 3.58Å; H220-K340 WeakPolarHBondContact CA-O 3.39Å; H220-K340 WeakPolarHBondContact CB-O 3.37Å; H220-K340 VanDerWaalsContact CD2-C 3.47Å
221	Y	98.4	Very high	97.4	Very high	8 Å²	8	23.7 Å²	23.7	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.8	166.5	67.4	-75.2	0	0	0	110.2	E46 V60 I61 T223 L339 K340 L342 I345	E46-Y221 WeakPolarHBondContact O-CA 3.33Å; V60-Y221 HydrophobicContact CB-CG 4.41Å; V60-Y221 HydrophobicContact CG1-CD1 4.47Å; V60-Y221 HydrophobicContact CG1-CG 4.13Å; I61-Y221 HydrophobicContact CD1-CD2 4.34Å; I61-Y221 HydrophobicContact CD1-CE2 4.25Å; I61-Y221 HydrophobicContact CG1-CD2 4.01Å; I61-Y221 HydrophobicContact CG1-CE2 4.26Å; Y221-T223 HydrophobicContact CD2-CG2 3.86Å; Y221-T223 HydrophobicContact CE2-CG2 3.39Å; Y221-L339 WeakPolarHBondContact O-CA 3.15Å; Y221-K340 HydrophobicContact CD1-CB 4.21Å; Y221-K340 WeakPolarHBondContact CD1-O 3.47Å; Y221-K340 HydrophobicContact CE1-CB 3.5Å; Y221-K340 WeakPolarHBondContact CE1-O 3.29Å; Y221-K340 PolarHBondContact N-O 3.42Å; Y221-K340 PolarHBondContact O-N 2.69Å; Y221-L342 HydrophobicContact CD1-CD2 4.33Å; Y221-I345 HydrophobicContact CE1-CB 4.03Å; Y221-I345 HydrophobicContact CE2-CD1 3.99Å; Y221-I345 WeakPolarHBondContact OH-CD1 3.26Å
222	I	98.6	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.9	-176.7	-59.4	173.1	0	0	0	110.1	L43 G45 E46 Y48 R55 L182 V225 N338 L339	L43-I222 WeakPolarHBondContact O-CD1 3.34Å; G45-I222 WeakPolarHBondContact CA-O 3.4Å; G45-I222 PolarHBondContact N-O 2.82Å; E46-I222 HydrophobicContact CB-CD1 4.45Å; E46-I222 PolarHBondContact O-N 3.34Å; Y48-I222 HydrophobicContact CD2-CD1 4.14Å; Y48-I222 HydrophobicContact CD2-CG1 4.25Å; R55-I222 HydrophobicContact CG-CD1 4.14Å; L182-I222 VanDerWaalsContact CD1-O 3.27Å; L182-I222 WeakPolarHBondContact CD1-O 3.43Å; I222-V225 HydrophobicContact CG2-CG1 3.32Å; I222-N338 WeakPolarHBondContact CA-O 3.3Å; I222-L339 HydrophobicContact CG1-CD2 3.81Å
223	T	98.1	Very high	97.2	Very high	23 Å²	23	15.8 Å²	15.8	14%	0.141	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-18.4	-176.4	55.6	0	0	0	0	114.4	R181 L182 Y221 N338 K340	R181-T223 WeakPolarHBondContact CA-O 3.42Å; L182-T223 PolarHBondContact N-O 3.42Å; Y221-T223 HydrophobicContact CD2-CG2 3.86Å; Y221-T223 HydrophobicContact CE2-CG2 3.39Å; T223-N338 PolarHBondContact N-O 2.79Å; T223-N338 WeakPolarHBondContact OG1-CB 3.32Å; T223-N338 PolarHBondContact OG1-O 2.88Å; T223-N338 VanDerWaalsContact OG1-O 3.12Å; T223-K340 HydrophobicContact CG2-CB 3.97Å; T223-K340 HydrophobicContact CG2-CD 3.97Å; T223-K340 HydrophobicContact CG2-CG 3.82Å
224	Q	98.2	Very high	97.2	Very high	20 Å²	20	15.4 Å²	15.4	9%	0.093	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	143.5	174.5	-174.8	177	-94.4	0	0	108	Y180 R181 Y337 N338	Y180-Q224 WeakPolarHBondContact O-CG 3.31Å; R181-Q224 HydrophobicContact CB-CB 4.06Å; R181-Q224 HydrophobicContact CB-CG 3.92Å; Q224-Y337 CarbonylContact O-C 2.93Å; Q224-Y337 WeakPolarHBondContact O-CA 3.33Å; Q224-Y337 WeakPolarHBondContact O-CB 3.41Å; Q224-N338 HydrophobicContact CB-CB 3.82Å; Q224-N338 PolarHBondContact O-N 3.33Å
225	V	98.2	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146	178.6	-64.9	0	0	0	0	111.4	R179 Y180 I222 L227 V334 Q336	R179-V225 VanDerWaalsContact CA-O 3.3Å; R179-V225 WeakPolarHBondContact CA-O 3.31Å; R179-V225 WeakPolarHBondContact CG-O 3.23Å; Y180-V225 HydrophobicContact CD1-CG2 3.65Å; Y180-V225 HydrophobicContact CD2-CG2 3.95Å; Y180-V225 HydrophobicContact CE1-CG2 3.34Å; Y180-V225 HydrophobicContact CE2-CG2 3.61Å; Y180-V225 HydrophobicContact CG-CG2 3.96Å; Y180-V225 PolarHBondContact N-O 2.89Å; Y180-V225 PolarHBondContact O-N 2.82Å; I222-V225 HydrophobicContact CG2-CG1 3.32Å; V225-L227 HydrophobicContact CB-CD2 3.67Å; V225-L227 HydrophobicContact CB-CG 4.2Å; V225-L227 HydrophobicContact CG1-CD2 4.38Å; V225-L227 HydrophobicContact CG2-CD1 4.22Å; V225-L227 HydrophobicContact CG2-CD2 3.69Å; V225-L227 HydrophobicContact CG2-CG 3.79Å; V225-V334 HydrophobicContact CB-CG1 4.27Å; V225-V334 HydrophobicContact CB-CG2 4.49Å; V225-V334 HydrophobicContact CG1-CG1 3.96Å; V225-V334 HydrophobicContact CG1-CG2 4Å; V225-Q336 CarbonylContact C-O 3.59Å
226	Y	97.3	Very high	97.2	Very high	45 Å²	45	11.2 Å²	11.2	18%	0.176	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.6	160.2	-66.4	-106	0	0	0	106.4	F98 Y178 R179 V335 Q336	F98-Y226 AromaticContact CE2-CD1 3.94Å; F98-Y226 HydrophobicContact CE2-CD1 3.94Å; F98-Y226 HydrophobicContact CE2-CE1 4.35Å; F98-Y226 HydrophobicContact CZ-CD1 4.02Å; F98-Y226 AromaticContact CZ-CE1 3.95Å; F98-Y226 HydrophobicContact CZ-CE1 3.95Å; Y178-Y226 WeakPolarHBondContact O-CA 3.45Å; R179-Y226 HydrophobicContact CB-CD1 4.21Å; R179-Y226 HydrophobicContact CB-CE1 4.41Å; R179-Y226 HydrophobicContact CG-CD1 4.25Å; R179-Y226 HydrophobicContact CG-CE1 4.12Å; R179-Y226 HydrophobicContact CG-CE2 4.47Å; R179-Y226 PolarHBondContact NE-OH 2.76Å; R179-Y226 PolarHBondContact NH1-OH 3.01Å; Y226-V335 PolarHBondContact O-N 3.09Å; Y226-Q336 HydrophobicContact CD2-CB 3.97Å; Y226-Q336 HydrophobicContact CG-CB 4.24Å; Y226-Q336 PolarHBondContact N-O 3.41Å; Y226-Q336 PolarHBondContact O-N 3.16Å
227	L	97.3	Very high	97.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.7	-171.6	-54.4	-176.3	0	0	0	111	G40 L43 N176 F177 Y178 Y180 V225 P332 D333 V334	G40-L227 WeakPolarHBondContact O-CD1 2.96Å; L43-L227 HydrophobicContact CB-CD2 4.2Å; L43-L227 HydrophobicContact CD1-CD1 4.2Å; L43-L227 HydrophobicContact CD1-CD2 3.72Å; N176-L227 CarbonylContact C-O 3.59Å; F177-L227 PolarHBondContact N-O 2.93Å; Y178-L227 HydrophobicContact CD2-CB 4.44Å; Y178-L227 PolarHBondContact N-O 2.94Å; Y178-L227 PolarHBondContact O-N 2.84Å; Y180-L227 HydrophobicContact CD1-CD1 4.3Å; Y180-L227 HydrophobicContact CE1-CD1 3.62Å; Y180-L227 HydrophobicContact CE1-CG 4.38Å; V225-L227 HydrophobicContact CB-CD2 3.67Å; V225-L227 HydrophobicContact CB-CG 4.2Å; V225-L227 HydrophobicContact CG1-CD2 4.38Å; V225-L227 HydrophobicContact CG2-CD1 4.22Å; V225-L227 HydrophobicContact CG2-CD2 3.69Å; V225-L227 HydrophobicContact CG2-CG 3.79Å; L227-P332 HydrophobicContact CB-CB 3.9Å; L227-P332 HydrophobicContact CB-CG 4.28Å; L227-P332 HydrophobicContact CD1-CG 4.46Å; L227-D333 CarbonylContact C-O 3.5Å; L227-D333 VanDerWaalsContact CA-O 3.26Å; L227-D333 WeakPolarHBondContact CA-O 3.39Å; L227-V334 HydrophobicContact CD2-CB 4.23Å; L227-V334 HydrophobicContact CD2-CG2 3.64Å
228	G	96.1	Very high	97	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-120.2	175.2	0	0	0	0	0	108.8	C175 P332 D333	C175-G228 CarbonylContact O-C 3.29Å; C175-G228 VanDerWaalsContact O-CA 3.23Å; C175-G228 WeakPolarHBondContact O-CA 3.36Å; G228-P332 WeakPolarHBondContact O-CA 2.94Å; G228-D333 PolarHBondContact N-O 3.25Å; G228-D333 PolarHBondContact O-N 3.26Å
229	G	95.1	Very high	96.9	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155.2	178.5	0	0	0	0	0	113.4	N174 C175 T302	N174-G229 CarbonylContact C-O 3.55Å; N174-G229 VanDerWaalsContact CA-O 3.31Å; N174-G229 WeakPolarHBondContact CA-O 3.33Å; C175-G229 PolarHBondContact N-O 3.39Å; C175-G229 PolarHBondContact O-N 3.46Å; G229-T302 CarbonylContact C-O 3.59Å; G229-T302 WeakPolarHBondContact CA-O 3.21Å
230	E	94.5	Very high	96.8	Very high	12 Å²	12	9 Å²	9	6%	0.056	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	139.9	-179	-179.9	164.2	-133.3	0	0	110.6	S172 V173 N174 K232 V301 T302 V335	S172-E230 WeakPolarHBondContact OG-CG 3.44Å; S172-E230 PolarHBondContact OG-OE1 3.12Å; V173-E230 CarbonylContact O-C 3.53Å; V173-E230 VanDerWaalsContact O-CA 3.32Å; V173-E230 WeakPolarHBondContact O-CA 2.94Å; N174-E230 HydrophobicContact CB-CB 3.83Å; N174-E230 HydrophobicContact CB-CG 3.81Å; N174-E230 PolarHBondContact ND2-OE1 2.69Å; E230-K232 HydrophobicContact CG-CG 4.09Å; E230-K232 WeakPolarHBondContact OE1-CE 3.33Å; E230-K232 IonicContact OE1-NZ 2.74Å; E230-K232 WeakPolarHBondContact OE2-CE 3.16Å; E230-K232 IonicContact OE2-NZ 3.9Å; E230-K232 PolarHBondContact OE2-NZ 3.43Å; E230-V301 CarbonylContact O-C 3.46Å; E230-V301 WeakPolarHBondContact O-CA 3.31Å; E230-T302 PolarHBondContact N-O 3.31Å; E230-T302 PolarHBondContact O-N 3.39Å; E230-V335 HydrophobicContact CB-CG1 4.13Å; E230-V335 HydrophobicContact CB-CG2 4.22Å
231	I	93.5	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.8	173.6	-50.8	162.2	0	0	0	107.1	S172 V173 E300 V301 V309 L311 Y321 W324	S172-I231 CarbonylContact C-O 3.53Å; S172-I231 VanDerWaalsContact CA-O 3.29Å; S172-I231 WeakPolarHBondContact CA-O 3.16Å; S172-I231 PolarHBondContact OG-O 2.01Å; V173-I231 HydrophobicContact CG1-CB 3.98Å; V173-I231 HydrophobicContact CG1-CD1 4.04Å; V173-I231 HydrophobicContact CG1-CG1 4.32Å; V173-I231 PolarHBondContact N-O 2.8Å; V173-I231 PolarHBondContact O-N 3.09Å; I231-E300 CarbonylContact C-O 3.5Å; I231-E300 WeakPolarHBondContact CA-O 3.39Å; I231-V301 HydrophobicContact CG1-CG1 4.48Å; I231-V301 HydrophobicContact CG2-CG2 4.26Å; I231-V309 HydrophobicContact CD1-CG1 4.5Å; I231-V309 HydrophobicContact CD1-CG2 3.56Å; I231-L311 HydrophobicContact CB-CG 4.37Å; I231-L311 HydrophobicContact CG2-CD1 4.49Å; I231-L311 HydrophobicContact CG2-CD2 4.46Å; I231-L311 HydrophobicContact CG2-CG 3.81Å; I231-Y321 HydrophobicContact CD1-CD1 4.22Å; I231-Y321 HydrophobicContact CD1-CE1 3.7Å; I231-W324 HydrophobicContact CD1-CE3 4.32Å; I231-W324 HydrophobicContact CD1-CH2 4.03Å; I231-W324 HydrophobicContact CD1-CZ2 4.28Å; I231-W324 HydrophobicContact CD1-CZ3 4.08Å; I231-W324 HydrophobicContact CG1-CH2 3.89Å; I231-W324 HydrophobicContact CG1-CZ2 3.88Å; I231-W324 HydrophobicContact CG1-CZ3 4.45Å
232	K	94.5	Very high	96.5	Very high	37 Å²	37	12.5 Å²	12.5	16%	0.161	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.3	176.5	-69.3	173.4	178.3	144.6	0	110.2	S123 Q171 E230 T299 E300	S123-K232 PolarHBondContact OG-NZ 2.72Å; Q171-K232 CarbonylContact O-C 3.47Å; Q171-K232 WeakPolarHBondContact O-CA 3.26Å; E230-K232 HydrophobicContact CG-CG 4.09Å; E230-K232 WeakPolarHBondContact OE1-CE 3.33Å; E230-K232 IonicContact OE1-NZ 2.74Å; E230-K232 WeakPolarHBondContact OE2-CE 3.16Å; E230-K232 IonicContact OE2-NZ 3.9Å; E230-K232 PolarHBondContact OE2-NZ 3.43Å; K232-T299 CarbonylContact O-C 3.37Å; K232-T299 VanDerWaalsContact O-CA 3.29Å; K232-T299 WeakPolarHBondContact O-CA 3.31Å; K232-E300 HydrophobicContact CB-CB 4.36Å; K232-E300 PolarHBondContact N-O 2.9Å; K232-E300 PolarHBondContact O-N 2.61Å
233	A	95.7	Very high	96.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.9	168.4	0	0	0	0	0	109.3	R170 Q171 R297 F298 L311 F312	R170-A233 CarbonylContact C-O 3.54Å; R170-A233 VanDerWaalsContact CA-O 3.31Å; R170-A233 WeakPolarHBondContact CA-O 3.26Å; Q171-A233 PolarHBondContact N-O 3.22Å; Q171-A233 PolarHBondContact O-N 2.74Å; Q171-A233 PolarHBondContact OE1-O 2.98Å; A233-R297 HydrophobicContact CB-CG 4.22Å; A233-F298 CarbonylContact C-O 3.47Å; A233-F298 WeakPolarHBondContact CA-O 3.24Å; A233-L311 HydrophobicContact CB-CB 4.35Å; A233-L311 HydrophobicContact CB-CD1 3.83Å; A233-F312 HydrophobicContact CB-CD2 4.08Å; A233-F312 HydrophobicContact CB-CE2 3.81Å
234	T	97.4	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	104.9	171.2	-56.8	0	0	0	0	108.6	L116 V169 R170 R297 F298	L116-T234 HydrophobicContact CD1-CG2 4.24Å; L116-T234 HydrophobicContact CD2-CG2 4.12Å; V169-T234 CarbonylContact O-C 3.45Å; V169-T234 WeakPolarHBondContact O-CA 3.28Å; R170-T234 PolarHBondContact NE-OG1 2.63Å; T234-R297 WeakPolarHBondContact O-CA 3.36Å; T234-F298 PolarHBondContact N-O 3.45Å; T234-F298 PolarHBondContact O-N 2.51Å
235	T	97.9	Very high	96	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127	178.2	-48.2	0	0	0	0	109.6	F168 V169 L256 F294 R297	F168-T235 CarbonylContact C-O 3.39Å; F168-T235 WeakPolarHBondContact CA-O 3.46Å; V169-T235 PolarHBondContact N-O 2.93Å; V169-T235 PolarHBondContact O-N 3.1Å; T235-L256 HydrophobicContact CG2-CD1 3.96Å; T235-F294 HydrophobicContact CG2-CB 4.18Å; T235-F294 VanDerWaalsContact CG2-O 3.27Å; T235-F294 WeakPolarHBondContact CG2-O 3.44Å; T235-R297 VanDerWaalsContact CG2-NH2 3.35Å; T235-R297 PolarHBondContact OG1-NE 3.07Å; T235-R297 PolarHBondContact OG1-NH2 3.37Å
236	S	97.7	Very high	95.7	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.007	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.4	171.8	66.2	0	0	0	0	110.3	F156 E167 E296	F156-S236 WeakPolarHBondContact CZ-OG 3.45Å; E167-S236 WeakPolarHBondContact O-CA 3.34Å; S236-E296 PolarHBondContact N-O 3.21Å; S236-E296 WeakPolarHBondContact OG-CB 3.21Å; S236-E296 PolarHBondContact OG-O 3.12Å
237	F	97.3	Very high	95.6	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.018	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.2	173.2	62.3	-83	0	0	0	112.2	L109 Y166 E167 V169 T239 A242 A249 V252 F294	L109-F237 HydrophobicContact CD1-CE1 4.46Å; L109-F237 HydrophobicContact CD1-CZ 4.41Å; Y166-F237 WeakPolarHBondContact CA-O 3.15Å; Y166-F237 WeakPolarHBondContact CD1-O 3.5Å; E167-F237 HydrophobicContact CB-CE1 3.8Å; E167-F237 HydrophobicContact CB-CE2 3.92Å; E167-F237 HydrophobicContact CB-CZ 3.43Å; E167-F237 VanDerWaalsContact CB-CZ 3.43Å; E167-F237 HydrophobicContact CG-CZ 4.44Å; E167-F237 PolarHBondContact N-O 2.51Å; E167-F237 VanDerWaalsContact N-O 3.15Å; E167-F237 PolarHBondContact O-N 3.45Å; E167-F237 WeakPolarHBondContact OE2-CE2 3.36Å; V169-F237 HydrophobicContact CG2-CD1 4.4Å; V169-F237 HydrophobicContact CG2-CE1 3.76Å; F237-T239 PolarHBondContact O-N 2.86Å; F237-T239 VanDerWaalsContact O-N 3.16Å; F237-A242 HydrophobicContact CD2-CB 3.93Å; F237-A242 HydrophobicContact CE2-CB 4.3Å; F237-A249 HydrophobicContact CE2-CB 4.33Å; F237-A249 HydrophobicContact CZ-CB 3.88Å; F237-V252 HydrophobicContact CD1-CG1 3.91Å; F237-V252 HydrophobicContact CD2-CG2 4.44Å; F237-V252 HydrophobicContact CE1-CB 4.4Å; F237-V252 HydrophobicContact CE1-CG1 4.05Å; F237-V252 HydrophobicContact CE2-CG2 4.35Å; F237-V252 HydrophobicContact CG-CG1 4.2Å; F237-V252 HydrophobicContact CZ-CB 4.33Å; F237-V252 HydrophobicContact CZ-CG1 4.43Å; F237-F294 HydrophobicContact CB-CD1 3.61Å; F237-F294 HydrophobicContact CB-CE1 4.12Å; F237-F294 HydrophobicContact CG-CD1 4.32Å
238	Q	96.8	Very high	95.5	Very high	34 Å²	34	17.1 Å²	17.1	16%	0.159	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	107.9	177.5	-66.4	173.2	-54.5	0	0	109.8	D164 R165 Y166 C240 K241 A242	D164-Q238 HydrophobicContact CB-CG 4.42Å; D164-Q238 PolarHBondContact OD2-NE2 3.07Å; R165-Q238 WeakPolarHBondContact O-CA 3.14Å; Y166-Q238 HydrophobicContact CE1-CG 3.82Å; Y166-Q238 HydrophobicContact CE2-CG 3.9Å; Y166-Q238 VanDerWaalsContact CZ-CG 3.46Å; Y166-Q238 WeakPolarHBondContact OH-CG 2.84Å; Q238-C240 VanDerWaalsContact C-N 3.34Å; Q238-C240 PolarHBondContact O-N 2.79Å; Q238-K241 HydrophobicContact CB-CB 3.75Å; Q238-K241 PolarHBondContact O-N 3.11Å; Q238-A242 PolarHBondContact O-N 3.1Å
239	T	95.4	Very high	95.5	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-55.6	-46.5	-172.5	-60.7	0	0	0	0	112.6	R165 E167 F237 A242 T243	R165-T239 PolarHBondContact O-N 2.8Å; E167-T239 HydrophobicContact CG-CG2 4.46Å; E167-T239 WeakPolarHBondContact CG-OG1 3.05Å; E167-T239 PolarHBondContact N-OG1 3Å; E167-T239 WeakPolarHBondContact OE2-CB 3.15Å; E167-T239 WeakPolarHBondContact OE2-CG2 3.27Å; E167-T239 PolarHBondContact OE2-OG1 3.36Å; F237-T239 PolarHBondContact O-N 2.86Å; F237-T239 VanDerWaalsContact O-N 3.16Å; T239-A242 PolarHBondContact O-N 3.13Å; T239-T243 WeakPolarHBondContact O-CB 3.27Å; T239-T243 PolarHBondContact O-N 2.98Å; T239-T243 PolarHBondContact O-OG1 3.04Å
240	C	95.9	Very high	95.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-74.9	-31.4	-177.1	-70	0	0	0	0	112.8	Q238 T243 M244 C404 Y533	Q238-C240 VanDerWaalsContact C-N 3.34Å; Q238-C240 PolarHBondContact O-N 2.79Å; C240-T243 PolarHBondContact O-N 2.83Å; C240-M244 VanDerWaalsContact O-CB 3.25Å; C240-M244 WeakPolarHBondContact O-CB 3.49Å; C240-M244 PolarHBondContact O-N 3.42Å; C240-C404 WeakPolarHBondContact CA-SG 3.11Å; C240-C404 HydrophobicContact CB-CB 3.61Å; C240-C404 WeakPolarHBondContact CB-SG 3.22Å; C240-C404 VanDerWaalsContact SG-CA 3.58Å; C240-C404 WeakPolarHBondContact SG-CB 3.39Å; C240-C404 CovalentContact SG-SG 2.05Å; C240-C404 PolarHBondContact SG-SG 2.87Å; C240-Y533 HydrophobicContact CB-CE2 3.79Å
241	K	95.9	Very high	95.6	Very high	77 Å²	77	21.4 Å²	21.4	34%	0.335	12%	0.124	S	C	.	.	H	α-helix	trans	-67.1	-42.9	172.7	-170.9	-179.5	174.9	-170.7	0	111.4	Q238 M244 N245 Y533	Q238-K241 HydrophobicContact CB-CB 3.75Å; Q238-K241 PolarHBondContact O-N 3.11Å; K241-M244 HydrophobicContact CG-CE 4.28Å; K241-M244 PolarHBondContact O-N 2.79Å; K241-N245 PolarHBondContact O-N 3.45Å; K241-N245 VanDerWaalsContact O-N 3.08Å; K241-N245 PolarHBondContact O-ND2 3.36Å; K241-Y533 HydrophobicContact CB-CD1 4.13Å; K241-Y533 HydrophobicContact CB-CD2 3.89Å; K241-Y533 HydrophobicContact CB-CE1 4.11Å; K241-Y533 HydrophobicContact CB-CE2 3.87Å; K241-Y533 HydrophobicContact CB-CG 4.01Å; K241-Y533 HydrophobicContact CD-CD1 4.21Å; K241-Y533 HydrophobicContact CD-CG 4.46Å; K241-Y533 HydrophobicContact CG-CD1 4.3Å; K241-Y533 HydrophobicContact CG-CD2 4.38Å; K241-Y533 HydrophobicContact CG-CG 4.11Å
242	A	95.8	Very high	95.8	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-46.1	174.4	0	0	0	0	0	111.4	F237 Q238 T239 M244 N245 G246 F247 F294	F237-A242 HydrophobicContact CD2-CB 3.93Å; F237-A242 HydrophobicContact CE2-CB 4.3Å; Q238-A242 PolarHBondContact O-N 3.1Å; T239-A242 PolarHBondContact O-N 3.13Å; A242-M244 PolarHBondContact O-N 3.16Å; A242-N245 CarbonylContact O-C 3.59Å; A242-N245 PolarHBondContact O-N 3.49Å; A242-N245 VanDerWaalsContact O-N 3.17Å; A242-G246 PolarHBondContact O-N 2.67Å; A242-F247 CarbonylContact C-O 3.56Å; A242-F247 HydrophobicContact CB-CB 4.43Å; A242-F247 PolarHBondContact O-N 3.38Å; A242-F294 HydrophobicContact CB-CE1 4.25Å
243	T	95.8	Very high	95.9	Very high	18 Å²	18	20 Å²	20	11%	0.11	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-44.4	177.4	-52.8	0	0	0	0	111.9	T239 C240 N245 G246 F247 K400 N402 C404	T239-T243 WeakPolarHBondContact O-CB 3.27Å; T239-T243 PolarHBondContact O-N 2.98Å; T239-T243 PolarHBondContact O-OG1 3.04Å; C240-T243 PolarHBondContact O-N 2.83Å; T243-N245 PolarHBondContact O-N 2.92Å; T243-G246 PolarHBondContact O-N 2.95Å; T243-F247 WeakPolarHBondContact CA-O 3.14Å; T243-F247 PolarHBondContact N-O 3.42Å; T243-K400 HydrophobicContact CG2-CB 4.27Å; T243-K400 HydrophobicContact CG2-CG 3.94Å; T243-N402 PolarHBondContact OG1-ND2 3.05Å; T243-C404 HydrophobicContact CG2-CB 3.91Å
244	M	94.6	Very high	95.9	Very high	12 Å²	12	22 Å²	22	6%	0.059	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-36.7	175.9	-177.7	-169.7	68.9	0	0	112.1	C240 K241 A242 G246 P405 G407 K408 L525 Y533	C240-M244 VanDerWaalsContact O-CB 3.25Å; C240-M244 WeakPolarHBondContact O-CB 3.49Å; C240-M244 PolarHBondContact O-N 3.42Å; K241-M244 HydrophobicContact CG-CE 4.28Å; K241-M244 PolarHBondContact O-N 2.79Å; A242-M244 PolarHBondContact O-N 3.16Å; M244-G246 PolarHBondContact O-N 3.17Å; M244-P405 HydrophobicContact CB-CG 4.14Å; M244-P405 HydrophobicContact CG-CG 4.44Å; M244-P405 PolarHBondContact N-O 2.8Å; M244-G407 WeakPolarHBondContact O-CA 3.38Å; M244-K408 HydrophobicContact CE-CG 4.33Å; M244-K408 HydrophobicContact CG-CG 3.85Å; M244-K408 HydrophobicContact SD-CG 4.01Å; M244-L525 HydrophobicContact CG-CD2 3.88Å; M244-L525 HydrophobicContact SD-CD2 3.34Å; M244-L525 WeakPolarHBondContact SD-CD2 3.43Å; M244-Y533 HydrophobicContact SD-CD2 4.46Å
245	N	92.7	Very high	95.8	Very high	42 Å²	42	22.1 Å²	22.1	23%	0.225	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	5	177.1	-69.6	-22.9	0	0	0	113.3	K241 A242 T243 F247 K408	K241-N245 PolarHBondContact O-N 3.45Å; K241-N245 VanDerWaalsContact O-N 3.08Å; K241-N245 PolarHBondContact O-ND2 3.36Å; A242-N245 CarbonylContact O-C 3.59Å; A242-N245 PolarHBondContact O-N 3.49Å; A242-N245 VanDerWaalsContact O-N 3.17Å; T243-N245 PolarHBondContact O-N 2.92Å; N245-F247 HydrophobicContact CB-CD2 3.82Å; N245-F247 HydrophobicContact CB-CE2 3.87Å; N245-K408 VanDerWaalsContact OD1-CE 3.27Å; N245-K408 WeakPolarHBondContact OD1-CE 3.49Å
246	G	92.8	Very high	95.7	Very high	32 Å²	32	22.1 Å²	22.1	33%	0.33	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	21.6	174.4	0	0	0	0	0	115	A242 T243 M244	A242-G246 PolarHBondContact O-N 2.67Å; T243-G246 PolarHBondContact O-N 2.95Å; M244-G246 PolarHBondContact O-N 3.17Å
247	F	95.2	Very high	95.5	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.026	13%	0.133	C	C	.	.			trans	-108.1	139.4	175	-55.8	-72.3	0	0	0	111.2	A242 T243 N245 V252 K280 K283 L284 F290 F294	A242-F247 CarbonylContact C-O 3.56Å; A242-F247 HydrophobicContact CB-CB 4.43Å; A242-F247 PolarHBondContact O-N 3.38Å; T243-F247 WeakPolarHBondContact CA-O 3.14Å; T243-F247 PolarHBondContact N-O 3.42Å; N245-F247 HydrophobicContact CB-CD2 3.82Å; N245-F247 HydrophobicContact CB-CE2 3.87Å; F247-V252 HydrophobicContact CB-CG2 4.2Å; F247-K280 HydrophobicContact CD1-CD 4.39Å; F247-K280 HydrophobicContact CE1-CB 4.32Å; F247-K283 HydrophobicContact CE1-CB 4.33Å; F247-K283 HydrophobicContact CZ-CB 3.94Å; F247-L284 HydrophobicContact CE1-CD2 4.39Å; F247-L284 HydrophobicContact CE2-CD2 3.7Å; F247-L284 HydrophobicContact CZ-CD2 3.45Å; F247-L284 VanDerWaalsContact CZ-CD2 3.45Å; F247-L284 HydrophobicContact CZ-CG 3.92Å; F247-F290 HydrophobicContact CD1-CE1 4.04Å; F247-F290 HydrophobicContact CD1-CZ 4.11Å; F247-F290 HydrophobicContact CE1-CE1 4.08Å; F247-F290 AromaticContact CE1-CZ 3.81Å; F247-F290 HydrophobicContact CE1-CZ 3.81Å; F247-F294 HydrophobicContact CD2-CZ 4.31Å
248	T	95.4	Very high	95.3	Very high	74 Å²	74	23.3 Å²	23.3	45%	0.454	14%	0.138	S	C	.	.			trans	-90.1	161.1	165.7	63.6	0	0	0	0	110.2	T250 D251 V252	T248-T250 PolarHBondContact O-N 3.38Å; T248-D251 PolarHBondContact N-OD2 3.41Å; T248-D251 WeakPolarHBondContact O-CB 3.11Å; T248-D251 PolarHBondContact O-N 3.43Å; T248-D251 VanDerWaalsContact O-N 3.08Å; T248-D251 PolarHBondContact OG1-N 3.32Å; T248-D251 PolarHBondContact OG1-OD2 2.94Å; T248-V252 PolarHBondContact O-N 2.73Å; T248-V252 VanDerWaalsContact O-N 3.13Å
249	A	95.6	Very high	95.1	Very high	17 Å²	17	23.9 Å²	23.9	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-55.9	-37.8	173.2	0	0	0	0	0	112.3	L109 E167 F237 V252 S253	L109-A249 HydrophobicContact CD1-CB 4.12Å; L109-A249 HydrophobicContact CD2-CB 3.85Å; E167-A249 WeakPolarHBondContact OE2-CB 3.34Å; F237-A249 HydrophobicContact CE2-CB 4.33Å; F237-A249 HydrophobicContact CZ-CB 3.88Å; A249-V252 PolarHBondContact O-N 2.69Å; A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.43Å
250	T	96.2	Very high	94.9	Very high	76 Å²	76	23.7 Å²	23.7	47%	0.466	14%	0.14	S	C	.	.	H	α-helix	trans	-65.2	-42.7	174.6	-52.4	0	0	0	0	112.1	T248 V252 S253 D254	T248-T250 PolarHBondContact O-N 3.38Å; T250-V252 VanDerWaalsContact C-N 3.28Å; T250-V252 PolarHBondContact O-N 2.97Å; T250-S253 PolarHBondContact O-N 2.91Å; T250-D254 WeakPolarHBondContact CG2-OD2 3.28Å; T250-D254 VanDerWaalsContact O-CB 3.32Å; T250-D254 WeakPolarHBondContact O-CB 3.43Å; T250-D254 VanDerWaalsContact O-CG 3.25Å; T250-D254 PolarHBondContact O-N 3.32Å
251	D	96.3	Very high	94.6	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.048	14%	0.14	C	C	.	.	H	α-helix	trans	-56.9	-44.5	174.8	-65.6	-53	0	0	0	111.2	T248 C255 H276 K280	T248-D251 PolarHBondContact N-OD2 3.41Å; T248-D251 WeakPolarHBondContact O-CB 3.11Å; T248-D251 PolarHBondContact O-N 3.43Å; T248-D251 VanDerWaalsContact O-N 3.08Å; T248-D251 PolarHBondContact OG1-N 3.32Å; T248-D251 PolarHBondContact OG1-OD2 2.94Å; D251-C255 WeakPolarHBondContact O-CB 3.18Å; D251-C255 PolarHBondContact O-N 2.8Å; D251-C255 VanDerWaalsContact O-N 3.11Å; D251-C255 PolarHBondContact O-SG 2.92Å; D251-H276 IonicContact OD1-CD2 3.56Å; D251-H276 IonicContact OD1-CE1 3.58Å; D251-H276 PolarHBondContact OD1-CE1 3.13Å; D251-H276 IonicContact OD1-NE2 3.93Å; D251-H276 PolarHBondContact OD1-NE2 2.82Å; D251-K280 WeakPolarHBondContact OD1-CE 3.41Å; D251-K280 IonicContact OD1-NZ 2.71Å; D251-K280 PolarHBondContact OD1-NZ 2.86Å; D251-K280 IonicContact OD2-NZ 3.88Å; D251-K280 PolarHBondContact OD2-NZ 2.97Å
252	V	96.6	Very high	93.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-48.5	178.6	178.7	0	0	0	0	110.6	F237 F247 T248 A249 T250 L256 F294	F237-V252 HydrophobicContact CD1-CG1 3.91Å; F237-V252 HydrophobicContact CD2-CG2 4.44Å; F237-V252 HydrophobicContact CE1-CB 4.4Å; F237-V252 HydrophobicContact CE1-CG1 4.05Å; F237-V252 HydrophobicContact CE2-CG2 4.35Å; F237-V252 HydrophobicContact CG-CG1 4.2Å; F237-V252 HydrophobicContact CZ-CB 4.33Å; F237-V252 HydrophobicContact CZ-CG1 4.43Å; F247-V252 HydrophobicContact CB-CG2 4.2Å; T248-V252 PolarHBondContact O-N 2.73Å; T248-V252 VanDerWaalsContact O-N 3.13Å; A249-V252 PolarHBondContact O-N 2.69Å; T250-V252 VanDerWaalsContact C-N 3.28Å; T250-V252 PolarHBondContact O-N 2.97Å; V252-L256 HydrophobicContact CG1-CD1 3.8Å; V252-L256 HydrophobicContact CG1-CG 4.39Å; V252-L256 WeakPolarHBondContact O-CB 3.38Å; V252-L256 WeakPolarHBondContact O-CG 3.11Å; V252-L256 PolarHBondContact O-N 2.65Å; V252-F294 HydrophobicContact CG1-CB 4.45Å; V252-F294 HydrophobicContact CG1-CD1 4.2Å; V252-F294 HydrophobicContact CG1-CD2 3.88Å; V252-F294 HydrophobicContact CG1-CE1 4.44Å; V252-F294 HydrophobicContact CG1-CE2 4.16Å; V252-F294 HydrophobicContact CG1-CG 3.91Å; V252-F294 HydrophobicContact CG1-CZ 4.42Å; V252-F294 HydrophobicContact CG2-CD2 4.38Å; V252-F294 HydrophobicContact CG2-CE1 4.03Å; V252-F294 HydrophobicContact CG2-CE2 3.81Å; V252-F294 HydrophobicContact CG2-CZ 3.6Å
253	S	96.8	Very high	92.9	Very high	8 Å²	8	25.3 Å²	25.3	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-50.2	179.6	174.8	0	0	0	0	112.8	S107 A249 T250 T257	S107-S253 PolarHBondContact OG-OG 2.77Å; A249-S253 WeakPolarHBondContact O-CB 3.46Å; A249-S253 PolarHBondContact O-N 3.43Å; T250-S253 PolarHBondContact O-N 2.91Å; S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 3.19Å; S253-T257 PolarHBondContact O-OG1 3.27Å
254	D	95.7	Very high	92.1	Very high	43 Å²	43	25.7 Å²	25.7	23%	0.23	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-43.4	-175.8	-70.8	-6.2	0	0	0	110.7	T250 T257 V258 M273	T250-D254 WeakPolarHBondContact CG2-OD2 3.28Å; T250-D254 VanDerWaalsContact O-CB 3.32Å; T250-D254 WeakPolarHBondContact O-CB 3.43Å; T250-D254 VanDerWaalsContact O-CG 3.25Å; T250-D254 PolarHBondContact O-N 3.32Å; D254-T257 WeakPolarHBondContact O-CA 3.38Å; D254-T257 WeakPolarHBondContact O-CB 3.23Å; D254-T257 PolarHBondContact O-N 3.23Å; D254-T257 VanDerWaalsContact O-N 3.11Å; D254-V258 WeakPolarHBondContact O-CG2 3.41Å; D254-V258 PolarHBondContact O-N 3.42Å; D254-M273 HydrophobicContact CB-SD 3.63Å
255	C	95.4	Very high	90.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-74.7	-34.1	-178	-59.2	0	0	0	0	113.5	D251 T257 V258 E259 C277 F290	D251-C255 WeakPolarHBondContact O-CB 3.18Å; D251-C255 PolarHBondContact O-N 2.8Å; D251-C255 VanDerWaalsContact O-N 3.11Å; D251-C255 PolarHBondContact O-SG 2.92Å; C255-T257 VanDerWaalsContact C-N 3.25Å; C255-T257 PolarHBondContact O-N 3.02Å; C255-V258 PolarHBondContact O-N 3.39Å; C255-E259 WeakPolarHBondContact O-CG 3.44Å; C255-E259 PolarHBondContact O-N 3.21Å; C255-C277 WeakPolarHBondContact CA-SG 3.19Å; C255-C277 HydrophobicContact CB-CB 3.77Å; C255-C277 WeakPolarHBondContact CB-SG 3.24Å; C255-C277 WeakPolarHBondContact SG-CA 3.35Å; C255-C277 WeakPolarHBondContact SG-CB 3.36Å; C255-C277 CovalentContact SG-SG 2.05Å; C255-C277 PolarHBondContact SG-SG 3.42Å; C255-F290 HydrophobicContact CB-CB 4.28Å; C255-F290 HydrophobicContact CB-CD1 3.73Å; C255-F290 HydrophobicContact CB-CD2 3.53Å; C255-F290 HydrophobicContact CB-CE1 3.86Å; C255-F290 HydrophobicContact CB-CE2 3.65Å; C255-F290 HydrophobicContact CB-CG 3.56Å; C255-F290 HydrophobicContact CB-CZ 3.82Å
256	L	95.2	Very high	90	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-34.3	166.4	-70.2	173.4	0	0	0	111.7	T235 V252 A260 F290 F312	T235-L256 HydrophobicContact CG2-CD1 3.96Å; V252-L256 HydrophobicContact CG1-CD1 3.8Å; V252-L256 HydrophobicContact CG1-CG 4.39Å; V252-L256 WeakPolarHBondContact O-CB 3.38Å; V252-L256 WeakPolarHBondContact O-CG 3.11Å; V252-L256 PolarHBondContact O-N 2.65Å; L256-A260 VanDerWaalsContact O-CB 3.26Å; L256-A260 WeakPolarHBondContact O-CB 3.41Å; L256-A260 PolarHBondContact O-N 3.41Å; L256-F290 HydrophobicContact CD2-CB 4.07Å; L256-F290 HydrophobicContact CG-CB 4.45Å; L256-F312 HydrophobicContact CB-CE1 4.36Å; L256-F312 HydrophobicContact CB-CZ 4.06Å; L256-F312 HydrophobicContact CD2-CE1 4.13Å; L256-F312 HydrophobicContact CD2-CZ 4.21Å; L256-F312 VanDerWaalsContact O-CE1 3.27Å; L256-F312 WeakPolarHBondContact O-CE1 3.37Å; L256-F312 WeakPolarHBondContact O-CZ 3.44Å
257	T	94.7	Very high	89	Confident	10 Å²	10	29.9 Å²	29.9	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-41.3	176.5	-54.5	0	0	0	0	111.6	V105 S107 S253 D254 C255 S261 V270	V105-T257 HydrophobicContact CG1-CG2 4.16Å; S107-T257 WeakPolarHBondContact CB-OG1 3.44Å; S107-T257 PolarHBondContact OG-OG1 3.28Å; S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 3.19Å; S253-T257 PolarHBondContact O-OG1 3.27Å; D254-T257 WeakPolarHBondContact O-CA 3.38Å; D254-T257 WeakPolarHBondContact O-CB 3.23Å; D254-T257 PolarHBondContact O-N 3.23Å; D254-T257 VanDerWaalsContact O-N 3.11Å; C255-T257 VanDerWaalsContact C-N 3.25Å; C255-T257 PolarHBondContact O-N 3.02Å; T257-S261 VanDerWaalsContact O-CB 3.3Å; T257-S261 WeakPolarHBondContact O-CB 3.24Å; T257-S261 PolarHBondContact O-N 2.8Å; T257-S261 PolarHBondContact O-OG 2.95Å; T257-V270 HydrophobicContact CG2-CG2 4.35Å
258	V	92.7	Very high	88.2	Confident	21 Å²	21	33.7 Å²	33.7	13%	0.127	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-47.9	173.9	170.2	0	0	0	0	110.5	D254 C255 S261 A262 V270 M273	D254-V258 WeakPolarHBondContact O-CG2 3.41Å; D254-V258 PolarHBondContact O-N 3.42Å; C255-V258 PolarHBondContact O-N 3.39Å; V258-S261 PolarHBondContact O-N 2.87Å; V258-A262 PolarHBondContact O-N 2.72Å; V258-V270 HydrophobicContact CG2-CG1 4.35Å; V258-M273 HydrophobicContact CG2-CB 3.7Å
259	E	91.8	Very high	87.3	Confident	45 Å²	45	33.6 Å²	33.6	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-45	179.2	-72.3	-177.9	-175.1	0	0	112.3	C255 S261 A262 S289 F290 S291 F312	C255-E259 WeakPolarHBondContact O-CG 3.44Å; C255-E259 PolarHBondContact O-N 3.21Å; E259-S261 PolarHBondContact O-N 3.05Å; E259-A262 VanDerWaalsContact O-CB 3.26Å; E259-A262 WeakPolarHBondContact O-CB 3.38Å; E259-A262 PolarHBondContact O-N 3.33Å; E259-A262 VanDerWaalsContact O-N 3.16Å; E259-S289 WeakPolarHBondContact OE1-CA 3.4Å; E259-S289 VanDerWaalsContact OE1-CB 3.32Å; E259-S289 WeakPolarHBondContact OE1-CB 3.15Å; E259-F290 WeakPolarHBondContact OE1-CB 3.45Å; E259-F290 PolarHBondContact OE1-N 3.06Å; E259-F290 PolarHBondContact OE2-N 2.86Å; E259-S291 WeakPolarHBondContact OE2-CB 3.08Å; E259-S291 PolarHBondContact OE2-N 3.4Å; E259-S291 PolarHBondContact OE2-OG 2.56Å; E259-F312 HydrophobicContact CB-CE1 4.26Å
260	A	91.1	Very high	86.7	Confident	1 Å²	1	33 Å²	33	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-30.1	175.9	0	0	0	0	0	112.4	V105 L256 A262 F264 L311 F312	V105-A260 HydrophobicContact CG1-CB 4.17Å; V105-A260 HydrophobicContact CG2-CB 4.4Å; L256-A260 VanDerWaalsContact O-CB 3.26Å; L256-A260 WeakPolarHBondContact O-CB 3.41Å; L256-A260 PolarHBondContact O-N 3.41Å; A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 3.39Å; A260-F264 WeakPolarHBondContact O-CD2 3.39Å; A260-F264 WeakPolarHBondContact O-CE2 3.48Å; A260-L311 HydrophobicContact CB-CB 4.44Å; A260-F312 HydrophobicContact CB-CE1 3.72Å; A260-F312 HydrophobicContact CB-CE2 4.48Å; A260-F312 HydrophobicContact CB-CZ 3.71Å
261	S	89.6	Confident	86	Confident	3 Å²	3	36 Å²	36	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-79.5	-9.5	-179.1	-58.9	0	0	0	0	113.5	T257 V258 E259 S263 F264 N266	T257-S261 VanDerWaalsContact O-CB 3.3Å; T257-S261 WeakPolarHBondContact O-CB 3.24Å; T257-S261 PolarHBondContact O-N 2.8Å; T257-S261 PolarHBondContact O-OG 2.95Å; V258-S261 PolarHBondContact O-N 2.87Å; E259-S261 PolarHBondContact O-N 3.05Å; S261-S263 PolarHBondContact O-N 2.9Å; S261-S263 VanDerWaalsContact O-N 3.14Å; S261-F264 PolarHBondContact O-N 3.31Å; S261-F264 VanDerWaalsContact O-O 3.12Å; S261-N266 WeakPolarHBondContact CB-OD1 3.48Å; S261-N266 PolarHBondContact O-OD1 3.03Å
262	A	82.8	Confident	85.6	Confident	78 Å²	78	39.2 Å²	39.2	65%	0.645	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-56.2	-34.4	-175.4	0	0	0	0	0	113.2	V258 E259 A260	V258-A262 PolarHBondContact O-N 2.72Å; E259-A262 VanDerWaalsContact O-CB 3.26Å; E259-A262 WeakPolarHBondContact O-CB 3.38Å; E259-A262 PolarHBondContact O-N 3.33Å; E259-A262 VanDerWaalsContact O-N 3.16Å; A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 3.39Å
263	S	73.4	Confident	85.3	Confident	36 Å²	36	41 Å²	41	25%	0.252	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-93.7	4.4	179.4	-50.8	0	0	0	0	114.1	S261 S316	S261-S263 PolarHBondContact O-N 2.9Å; S261-S263 VanDerWaalsContact O-N 3.14Å; S263-S316 PolarHBondContact OG-O 3.22Å
264	F	79.6	Confident	85	Confident	25 Å²	25	43.2 Å²	43.2	11%	0.11	28%	0.279	C	S	.	.	S	Bend	trans	-127.9	174.1	-176	-54.9	-70.6	0	0	0	113.1	M103 V105 V173 A260 S261 N266 L311 Y321	M103-F264 HydrophobicContact CB-CD1 3.98Å; M103-F264 HydrophobicContact CE-CD1 4.19Å; M103-F264 HydrophobicContact CE-CE1 3.72Å; V105-F264 HydrophobicContact CG2-CD2 3.67Å; V105-F264 HydrophobicContact CG2-CE2 4.24Å; V105-F264 HydrophobicContact CG2-CG 4.43Å; V173-F264 HydrophobicContact CG1-CE1 4.21Å; V173-F264 HydrophobicContact CG1-CE2 4.23Å; V173-F264 HydrophobicContact CG1-CZ 3.79Å; V173-F264 HydrophobicContact CG2-CD1 4.36Å; V173-F264 HydrophobicContact CG2-CE1 4.35Å; A260-F264 WeakPolarHBondContact O-CD2 3.39Å; A260-F264 WeakPolarHBondContact O-CE2 3.48Å; S261-F264 PolarHBondContact O-N 3.31Å; S261-F264 VanDerWaalsContact O-O 3.12Å; F264-N266 PolarHBondContact O-N 2.72Å; F264-L311 HydrophobicContact CE2-CD2 3.6Å; F264-L311 HydrophobicContact CZ-CD2 4.04Å; F264-Y321 AromaticContact CE1-CD1 3.82Å; F264-Y321 HydrophobicContact CE1-CD1 3.82Å; F264-Y321 AromaticContact CE1-CE1 3.85Å; F264-Y321 HydrophobicContact CE1-CE1 3.85Å; F264-Y321 HydrophobicContact CE1-CE2 4.49Å; F264-Y321 HydrophobicContact CE1-CG 4.16Å; F264-Y321 HydrophobicContact CE2-CE1 4.34Å; F264-Y321 AromaticContact CZ-CD1 3.81Å; F264-Y321 HydrophobicContact CZ-CD1 3.81Å; F264-Y321 HydrophobicContact CZ-CD2 4.48Å; F264-Y321 AromaticContact CZ-CE1 3.33Å; F264-Y321 HydrophobicContact CZ-CE1 3.33Å; F264-Y321 HydrophobicContact CZ-CE2 4.03Å; F264-Y321 HydrophobicContact CZ-CG 4.35Å; F264-Y321 AromaticContact CZ-CZ 3.42Å; F264-Y321 VanDerWaalsContact CZ-CZ 3.42Å
265	A	70	Confident	84.8	Confident	65 Å²	65	48.9 Å²	48.9	54%	0.537	30%	0.301	S	S	.	.			trans	-66.5	109.3	177.3	0	0	0	0	0	110.8	S267	A265-S267 PolarHBondContact O-N 3.38Å
266	N	73	Confident	84.7	Confident	75 Å²	75	52.5 Å²	52.5	40%	0.401	32%	0.318	S	S	.	.			trans	-64.6	123.2	-179.4	-75.5	-35	0	0	0	112.5	S261 F264 V270 K271	S261-N266 WeakPolarHBondContact CB-OD1 3.48Å; S261-N266 PolarHBondContact O-OD1 3.03Å; F264-N266 PolarHBondContact O-N 2.72Å; N266-V270 HydrophobicContact CB-CG1 4.44Å; N266-V270 WeakPolarHBondContact OD1-CG1 3.31Å; N266-K271 HydrophobicContact CB-CG 4.16Å
267	S	72.5	Confident	84.6	Confident	34 Å²	34	52.9 Å²	52.9	24%	0.238	32%	0.32	C	S	.	.			trans	-69.3	160.7	167.7	70.5	0	0	0	0	110.9	A265 S269 V270 K271	A265-S267 PolarHBondContact O-N 3.38Å; S267-S269 PolarHBondContact O-N 2.85Å; S267-S269 PolarHBondContact OG-OG 3.13Å; S267-V270 PolarHBondContact O-N 2.99Å; S267-V270 VanDerWaalsContact OG-CG2 3.29Å; S267-V270 WeakPolarHBondContact OG-CG2 3.37Å; S267-V270 PolarHBondContact OG-N 3.32Å; S267-V270 VanDerWaalsContact OG-N 3.15Å; S267-K271 PolarHBondContact O-N 2.63Å
268	A	77.4	Confident	84.5	Confident	86 Å²	86	57.1 Å²	57.1	71%	0.711	34%	0.34	S	S	*	.	H	α-helix	trans	-59.9	-35.2	174.1	0	0	0	0	0	112.1	K271 A272	A268-K271 PolarHBondContact O-N 2.99Å; A268-A272 PolarHBondContact O-N 3.44Å
269	S	77	Confident	84.4	Confident	73 Å²	73	59.8 Å²	59.8	51%	0.51	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-43.4	176.6	57.2	0	0	0	0	112	S267 K271 A272 M273	S267-S269 PolarHBondContact O-N 2.85Å; S267-S269 PolarHBondContact OG-OG 3.13Å; S269-K271 VanDerWaalsContact C-N 3.34Å; S269-K271 PolarHBondContact O-N 3.2Å; S269-A272 WeakPolarHBondContact O-CB 3.36Å; S269-A272 PolarHBondContact O-N 3.46Å; S269-A272 VanDerWaalsContact O-N 3.17Å; S269-M273 WeakPolarHBondContact O-CG 3.01Å; S269-M273 PolarHBondContact O-N 2.95Å
270	V	82.9	Confident	84.5	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-45	177.2	167.3	0	0	0	0	111.1	T257 V258 N266 S267 A272 M273 T274	T257-V270 HydrophobicContact CG2-CG2 4.35Å; V258-V270 HydrophobicContact CG2-CG1 4.35Å; N266-V270 HydrophobicContact CB-CG1 4.44Å; N266-V270 WeakPolarHBondContact OD1-CG1 3.31Å; S267-V270 PolarHBondContact O-N 2.99Å; S267-V270 VanDerWaalsContact OG-CG2 3.29Å; S267-V270 WeakPolarHBondContact OG-CG2 3.37Å; S267-V270 PolarHBondContact OG-N 3.32Å; S267-V270 VanDerWaalsContact OG-N 3.15Å; V270-A272 VanDerWaalsContact C-N 3.27Å; V270-A272 PolarHBondContact O-N 3.19Å; V270-M273 HydrophobicContact CG2-CE 4.23Å; V270-M273 PolarHBondContact O-N 2.86Å; V270-M273 VanDerWaalsContact O-N 3.1Å; V270-T274 PolarHBondContact O-N 2.86Å; V270-T274 PolarHBondContact O-OG1 2.79Å; V270-T274 VanDerWaalsContact O-OG1 3.13Å
271	K	82.1	Confident	84.5	Confident	139 Å²	139	62.2 Å²	62.2	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-60.7	-35.8	177.7	-66.2	180	-177.1	-176.5	0	112.7	N266 S267 A268 S269 M273	N266-K271 HydrophobicContact CB-CG 4.16Å; S267-K271 PolarHBondContact O-N 2.63Å; A268-K271 PolarHBondContact O-N 2.99Å; S269-K271 VanDerWaalsContact C-N 3.34Å; S269-K271 PolarHBondContact O-N 3.2Å; K271-M273 VanDerWaalsContact C-N 3.34Å
272	A	86.5	Confident	84.6	Confident	78 Å²	78	69.5 Å²	69.5	65%	0.645	39%	0.394	S	S	*	.	H	α-helix	trans	-68.8	-33.1	177.3	0	0	0	0	0	112.3	A268 S269 V270	A268-A272 PolarHBondContact O-N 3.44Å; S269-A272 WeakPolarHBondContact O-CB 3.36Å; S269-A272 PolarHBondContact O-N 3.46Å; S269-A272 VanDerWaalsContact O-N 3.17Å; V270-A272 VanDerWaalsContact C-N 3.27Å; V270-A272 PolarHBondContact O-N 3.19Å
273	M	90.8	Very high	84.8	Confident	37 Å²	37	71.6 Å²	71.6	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-80.2	-20.9	-178.7	-65.5	-178.1	-65.6	0	0	113.6	D254 V258 S269 V270 K271 K275 H276 C277	D254-M273 HydrophobicContact CB-SD 3.63Å; V258-M273 HydrophobicContact CG2-CB 3.7Å; S269-M273 WeakPolarHBondContact O-CG 3.01Å; S269-M273 PolarHBondContact O-N 2.95Å; V270-M273 HydrophobicContact CG2-CE 4.23Å; V270-M273 PolarHBondContact O-N 2.86Å; V270-M273 VanDerWaalsContact O-N 3.1Å; K271-M273 VanDerWaalsContact C-N 3.34Å; M273-K275 PolarHBondContact O-N 2.9Å; M273-H276 WeakPolarHBondContact O-CB 3.35Å; M273-H276 PolarHBondContact O-N 3.3Å; M273-C277 PolarHBondContact O-N 3.37Å
274	T	90.6	Very high	85.4	Confident	55 Å²	55	70.5 Å²	70.5	34%	0.337	38%	0.38	S	S	.	.	H	α-helix	trans	-53.4	-48.9	-175.1	-53.1	0	0	0	0	113.3	V270 H276 C277 E278	V270-T274 PolarHBondContact O-N 2.86Å; V270-T274 PolarHBondContact O-OG1 2.79Å; V270-T274 VanDerWaalsContact O-OG1 3.13Å; T274-H276 PolarHBondContact O-N 2.85Å; T274-C277 PolarHBondContact O-N 2.71Å; T274-E278 PolarHBondContact O-N 3.49Å
275	K	91.1	Very high	85.1	Confident	161 Å²	161	74.7 Å²	74.7	70%	0.7	40%	0.404	S	S	*	.	H	α-helix	trans	-62.8	-42.7	-178.4	-175.5	176.8	179.4	179.6	0	112.1	M273 C277 E278 D279	M273-K275 PolarHBondContact O-N 2.9Å; K275-C277 VanDerWaalsContact C-N 3.29Å; K275-C277 PolarHBondContact O-N 3.23Å; K275-E278 PolarHBondContact O-N 3.41Å; K275-D279 PolarHBondContact O-N 2.99Å; K275-D279 VanDerWaalsContact O-N 3.07Å
276	H	93.6	Very high	85.1	Confident	77 Å²	77	77.3 Å²	77.3	36%	0.356	42%	0.418	S	S	.	.	H	α-helix	trans	-59.7	-42.8	176.2	176.3	78.6	0	0	0	111.3	D251 M273 T274 D279 K280	D251-H276 IonicContact OD1-CD2 3.56Å; D251-H276 IonicContact OD1-CE1 3.58Å; D251-H276 PolarHBondContact OD1-CE1 3.13Å; D251-H276 IonicContact OD1-NE2 3.93Å; D251-H276 PolarHBondContact OD1-NE2 2.82Å; M273-H276 WeakPolarHBondContact O-CB 3.35Å; M273-H276 PolarHBondContact O-N 3.3Å; T274-H276 PolarHBondContact O-N 2.85Å; H276-D279 PolarHBondContact O-N 2.88Å; H276-K280 VanDerWaalsContact CE1-CE 3.44Å; H276-K280 WeakPolarHBondContact CE1-CE 3.48Å; H276-K280 WeakPolarHBondContact O-CB 3.29Å; H276-K280 VanDerWaalsContact O-CG 3.25Å; H276-K280 WeakPolarHBondContact O-CG 3.45Å; H276-K280 PolarHBondContact O-N 3.47Å
277	C	93.9	Very high	84.8	Confident	8 Å²	8	76.1 Å²	76.1	5%	0.054	42%	0.424	C	S	.	.	H	α-helix	trans	-69	-38.1	179.3	-70.3	0	0	0	0	113.7	C255 M273 T274 K275 D279 K280 K281	C255-C277 WeakPolarHBondContact CA-SG 3.19Å; C255-C277 HydrophobicContact CB-CB 3.77Å; C255-C277 WeakPolarHBondContact CB-SG 3.24Å; C255-C277 WeakPolarHBondContact SG-CA 3.35Å; C255-C277 WeakPolarHBondContact SG-CB 3.36Å; C255-C277 CovalentContact SG-SG 2.05Å; C255-C277 PolarHBondContact SG-SG 3.42Å; M273-C277 PolarHBondContact O-N 3.37Å; T274-C277 PolarHBondContact O-N 2.71Å; K275-C277 VanDerWaalsContact C-N 3.29Å; K275-C277 PolarHBondContact O-N 3.23Å; C277-D279 VanDerWaalsContact C-N 3.33Å; C277-D279 PolarHBondContact O-N 2.74Å; C277-K280 PolarHBondContact O-N 3.42Å; C277-K281 VanDerWaalsContact O-CB 3.26Å; C277-K281 WeakPolarHBondContact O-CB 3.3Å; C277-K281 PolarHBondContact O-N 3.5Å
278	E	91.7	Very high	85.5	Confident	100 Å²	100	78.6 Å²	78.6	47%	0.467	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-40.1	171.7	-71.7	-57.4	148.9	0	0	112.1	T274 K275 K281 K282	T274-E278 PolarHBondContact O-N 3.49Å; K275-E278 PolarHBondContact O-N 3.41Å; E278-K281 PolarHBondContact O-N 2.79Å; E278-K282 PolarHBondContact O-N 3.24Å
279	D	92.1	Very high	86.1	Confident	76 Å²	76	76.2 Å²	76.2	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-68.2	-37.1	175.9	-74.3	-28.5	0	0	0	112.4	K275 H276 C277 K282	K275-D279 PolarHBondContact O-N 2.99Å; K275-D279 VanDerWaalsContact O-N 3.07Å; H276-D279 PolarHBondContact O-N 2.88Å; C277-D279 VanDerWaalsContact C-N 3.33Å; C277-D279 PolarHBondContact O-N 2.74Å; D279-K282 IonicContact OD1-NZ 2.75Å; D279-K282 PolarHBondContact OD1-NZ 3.01Å
280	K	93.4	Very high	86.9	Confident	36 Å²	36	72.8 Å²	72.8	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-71.7	-35.8	176	-69.9	-80.6	177.7	152.6	0	112.4	F247 D251 H276 C277 K282 K283 F290	F247-K280 HydrophobicContact CD1-CD 4.39Å; F247-K280 HydrophobicContact CE1-CB 4.32Å; D251-K280 WeakPolarHBondContact OD1-CE 3.41Å; D251-K280 IonicContact OD1-NZ 2.71Å; D251-K280 PolarHBondContact OD1-NZ 2.86Å; D251-K280 IonicContact OD2-NZ 3.88Å; D251-K280 PolarHBondContact OD2-NZ 2.97Å; H276-K280 VanDerWaalsContact CE1-CE 3.44Å; H276-K280 WeakPolarHBondContact CE1-CE 3.48Å; H276-K280 WeakPolarHBondContact O-CB 3.29Å; H276-K280 VanDerWaalsContact O-CG 3.25Å; H276-K280 WeakPolarHBondContact O-CG 3.45Å; H276-K280 PolarHBondContact O-N 3.47Å; C277-K280 PolarHBondContact O-N 3.42Å; K280-K282 PolarHBondContact O-N 2.94Å; K280-K283 WeakPolarHBondContact O-CB 3.43Å; K280-K283 PolarHBondContact O-N 2.95Å; K280-F290 HydrophobicContact CB-CE2 4.16Å; K280-F290 HydrophobicContact CB-CZ 3.76Å
281	K	91.4	Very high	87.4	Confident	61 Å²	61	73.7 Å²	73.7	27%	0.265	39%	0.392	S	S	.	.	H	α-helix	trans	-58.4	-32.7	177.3	-174.8	178.4	178	-179.8	0	112.3	C277 E278 K283 L284 G287 Q288 F290	C277-K281 VanDerWaalsContact O-CB 3.26Å; C277-K281 WeakPolarHBondContact O-CB 3.3Å; C277-K281 PolarHBondContact O-N 3.5Å; E278-K281 PolarHBondContact O-N 2.79Å; K281-K283 PolarHBondContact O-N 3.14Å; K281-L284 HydrophobicContact CG-CD1 4.4Å; K281-L284 WeakPolarHBondContact O-CB 3.33Å; K281-L284 PolarHBondContact O-N 2.72Å; K281-G287 VanDerWaalsContact CE-O 3.26Å; K281-G287 WeakPolarHBondContact CE-O 3.47Å; K281-Q288 WeakPolarHBondContact CE-O 3.22Å; K281-Q288 WeakPolarHBondContact CG-O 3.45Å; K281-F290 HydrophobicContact CB-CE2 4.24Å
282	K	90.2	Very high	87.9	Confident	156 Å²	156	69.4 Å²	69.4	68%	0.678	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.8	174.3	-64.1	166.9	-171.2	164.8	0	114	E278 D279 K280	E278-K282 PolarHBondContact O-N 3.24Å; D279-K282 IonicContact OD1-NZ 2.75Å; D279-K282 PolarHBondContact OD1-NZ 3.01Å; K280-K282 PolarHBondContact O-N 2.94Å
283	K	87.2	Confident	88.2	Confident	123 Å²	123	68.2 Å²	68.2	54%	0.535	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.2	175.9	-60.3	-171.9	178.3	-171.4	0	113.6	F247 K280 K281	F247-K283 HydrophobicContact CE1-CB 4.33Å; F247-K283 HydrophobicContact CZ-CB 3.94Å; K280-K283 WeakPolarHBondContact O-CB 3.43Å; K280-K283 PolarHBondContact O-N 2.95Å; K281-K283 PolarHBondContact O-N 3.14Å
284	L	86.7	Confident	88.4	Confident	12 Å²	12	67.3 Å²	67.3	6%	0.063	36%	0.356	C	S	.	.	S	Bend	trans	-74.1	145.5	174.4	-64.1	173.8	0	0	0	109.6	F247 K281 S286 Q288 F290 E293	F247-L284 HydrophobicContact CE1-CD2 4.39Å; F247-L284 HydrophobicContact CE2-CD2 3.7Å; F247-L284 HydrophobicContact CZ-CD2 3.45Å; F247-L284 VanDerWaalsContact CZ-CD2 3.45Å; F247-L284 HydrophobicContact CZ-CG 3.92Å; K281-L284 HydrophobicContact CG-CD1 4.4Å; K281-L284 WeakPolarHBondContact O-CB 3.33Å; K281-L284 PolarHBondContact O-N 2.72Å; L284-S286 PolarHBondContact O-N 3.27Å; L284-Q288 WeakPolarHBondContact CD1-O 3.2Å; L284-F290 HydrophobicContact CD1-CD2 3.9Å; L284-F290 HydrophobicContact CD1-CE2 4.04Å; L284-F290 HydrophobicContact CD1-CG 4.25Å; L284-E293 HydrophobicContact CD2-CB 4.02Å; L284-E293 HydrophobicContact CD2-CG 3.78Å
285	N	72.6	Confident	88.5	Confident	114 Å²	114	69.5 Å²	69.5	61%	0.61	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.5	134.3	177.7	-64.2	-36.5	0	0	0	109.6	G287	N285-G287 PolarHBondContact O-N 3.17Å; N285-G287 VanDerWaalsContact O-N 3.14Å
286	S	69.9	Low	88.7	Confident	119 Å²	119	64.5 Å²	64.5	83%	0.832	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	60.1	23.2	172.4	-48.8	0	0	0	0	115.9	L284 Q288	L284-S286 PolarHBondContact O-N 3.27Å; S286-Q288 VanDerWaalsContact C-N 3.25Å; S286-Q288 PolarHBondContact O-N 2.98Å
287	G	68.1	Low	88.8	Confident	51 Å²	51	63.2 Å²	63.2	53%	0.526	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	68.7	17.8	174	0	0	0	0	0	115.4	K281 N285	K281-G287 VanDerWaalsContact CE-O 3.26Å; K281-G287 WeakPolarHBondContact CE-O 3.47Å; N285-G287 PolarHBondContact O-N 3.17Å; N285-G287 VanDerWaalsContact O-N 3.14Å
288	Q	86.7	Confident	88.8	Confident	85 Å²	85	64.2 Å²	64.2	40%	0.397	34%	0.34	S	S	.	.			trans	-61.3	158.9	177.2	-65.6	-174.6	-2.2	0	0	112.3	K281 L284 S286	K281-Q288 WeakPolarHBondContact CE-O 3.22Å; K281-Q288 WeakPolarHBondContact CG-O 3.45Å; L284-Q288 WeakPolarHBondContact CD1-O 3.2Å; S286-Q288 VanDerWaalsContact C-N 3.25Å; S286-Q288 PolarHBondContact O-N 2.98Å
289	S	90.9	Very high	88.9	Confident	36 Å²	36	62.1 Å²	62.1	25%	0.252	33%	0.334	S	S	.	.			trans	-74.7	159.6	172.6	65.7	0	0	0	0	111.7	E259 S291 S292 E293	E259-S289 WeakPolarHBondContact OE1-CA 3.4Å; E259-S289 VanDerWaalsContact OE1-CB 3.32Å; E259-S289 WeakPolarHBondContact OE1-CB 3.15Å; S289-S291 VanDerWaalsContact C-N 3.3Å; S289-S291 PolarHBondContact O-N 3.03Å; S289-S291 PolarHBondContact OG-OG 2.94Å; S289-S292 WeakPolarHBondContact O-CB 3.2Å; S289-S292 PolarHBondContact O-N 3.08Å; S289-S292 VanDerWaalsContact OG-CB 3.3Å; S289-S292 WeakPolarHBondContact OG-CB 3.38Å; S289-S292 PolarHBondContact OG-N 2.84Å; S289-S292 VanDerWaalsContact OG-N 3.17Å; S289-E293 PolarHBondContact O-N 2.65Å; S289-E293 VanDerWaalsContact O-N 3.09Å
290	F	93.8	Very high	89	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-40.7	172.3	-86.4	-100	0	0	0	111.5	F247 C255 L256 E259 K280 K281 L284 S292 E293 F294	F247-F290 HydrophobicContact CD1-CE1 4.04Å; F247-F290 HydrophobicContact CD1-CZ 4.11Å; F247-F290 HydrophobicContact CE1-CE1 4.08Å; F247-F290 AromaticContact CE1-CZ 3.81Å; F247-F290 HydrophobicContact CE1-CZ 3.81Å; C255-F290 HydrophobicContact CB-CB 4.28Å; C255-F290 HydrophobicContact CB-CD1 3.73Å; C255-F290 HydrophobicContact CB-CD2 3.53Å; C255-F290 HydrophobicContact CB-CE1 3.86Å; C255-F290 HydrophobicContact CB-CE2 3.65Å; C255-F290 HydrophobicContact CB-CG 3.56Å; C255-F290 HydrophobicContact CB-CZ 3.82Å; L256-F290 HydrophobicContact CD2-CB 4.07Å; L256-F290 HydrophobicContact CG-CB 4.45Å; E259-F290 WeakPolarHBondContact OE1-CB 3.45Å; E259-F290 PolarHBondContact OE1-N 3.06Å; E259-F290 PolarHBondContact OE2-N 2.86Å; K280-F290 HydrophobicContact CB-CE2 4.16Å; K280-F290 HydrophobicContact CB-CZ 3.76Å; K281-F290 HydrophobicContact CB-CE2 4.24Å; L284-F290 HydrophobicContact CD1-CD2 3.9Å; L284-F290 HydrophobicContact CD1-CE2 4.04Å; L284-F290 HydrophobicContact CD1-CG 4.25Å; F290-S292 PolarHBondContact O-N 2.78Å; F290-E293 PolarHBondContact O-N 3.33Å; F290-F294 HydrophobicContact CB-CD2 4.38Å; F290-F294 AromaticContact CD1-CD2 3.81Å; F290-F294 HydrophobicContact CD1-CD2 3.81Å; F290-F294 AromaticContact CD1-CE2 3.58Å; F290-F294 HydrophobicContact CD1-CE2 3.58Å; F290-F294 AromaticContact CE1-CE2 3.98Å; F290-F294 HydrophobicContact CE1-CE2 3.98Å; F290-F294 WeakPolarHBondContact O-CB 3.19Å; F290-F294 WeakPolarHBondContact O-CD2 3.33Å; F290-F294 PolarHBondContact O-N 2.89Å
291	S	92.9	Very high	89	Confident	23 Å²	23	62.4 Å²	62.4	16%	0.161	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-28.3	176.5	47.6	0	0	0	0	113.7	E259 S289 R297 F312	E259-S291 WeakPolarHBondContact OE2-CB 3.08Å; E259-S291 PolarHBondContact OE2-N 3.4Å; E259-S291 PolarHBondContact OE2-OG 2.56Å; S289-S291 VanDerWaalsContact C-N 3.3Å; S289-S291 PolarHBondContact O-N 3.03Å; S289-S291 PolarHBondContact OG-OG 2.94Å; S291-R297 PolarHBondContact O-NH1 3.44Å; S291-F312 VanDerWaalsContact CB-CD1 3.46Å
292	S	92.3	Very high	89.1	Confident	49 Å²	49	61.2 Å²	61.2	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-78.6	-44.7	175.3	179.1	0	0	0	0	111.9	S289 F290 N295	S289-S292 WeakPolarHBondContact O-CB 3.2Å; S289-S292 PolarHBondContact O-N 3.08Å; S289-S292 VanDerWaalsContact OG-CB 3.3Å; S289-S292 WeakPolarHBondContact OG-CB 3.38Å; S289-S292 PolarHBondContact OG-N 2.84Å; S289-S292 VanDerWaalsContact OG-N 3.17Å; F290-S292 PolarHBondContact O-N 2.78Å; S292-N295 PolarHBondContact O-ND2 2.84Å
293	E	92.8	Very high	89.2	Confident	53 Å²	53	54.5 Å²	54.5	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-47.3	176.3	175	67.1	-161.1	0	0	111.2	L284 S289 F290 N295	L284-E293 HydrophobicContact CD2-CB 4.02Å; L284-E293 HydrophobicContact CD2-CG 3.78Å; S289-E293 PolarHBondContact O-N 2.65Å; S289-E293 VanDerWaalsContact O-N 3.09Å; F290-E293 PolarHBondContact O-N 3.33Å; E293-N295 PolarHBondContact O-N 2.81Å
294	F	94.4	Very high	89.4	Confident	17 Å²	17	49.6 Å²	49.6	8%	0.075	30%	0.295	C	S	.	.	S	Bend	trans	-100.4	72.3	-179.8	-55.9	-73.8	0	0	0	109.6	T235 F237 A242 F247 V252 F290 R297	T235-F294 HydrophobicContact CG2-CB 4.18Å; T235-F294 VanDerWaalsContact CG2-O 3.27Å; T235-F294 WeakPolarHBondContact CG2-O 3.44Å; F237-F294 HydrophobicContact CB-CD1 3.61Å; F237-F294 HydrophobicContact CB-CE1 4.12Å; F237-F294 HydrophobicContact CG-CD1 4.32Å; A242-F294 HydrophobicContact CB-CE1 4.25Å; F247-F294 HydrophobicContact CD2-CZ 4.31Å; V252-F294 HydrophobicContact CG1-CB 4.45Å; V252-F294 HydrophobicContact CG1-CD1 4.2Å; V252-F294 HydrophobicContact CG1-CD2 3.88Å; V252-F294 HydrophobicContact CG1-CE1 4.44Å; V252-F294 HydrophobicContact CG1-CE2 4.16Å; V252-F294 HydrophobicContact CG1-CG 3.91Å; V252-F294 HydrophobicContact CG1-CZ 4.42Å; V252-F294 HydrophobicContact CG2-CD2 4.38Å; V252-F294 HydrophobicContact CG2-CE1 4.03Å; V252-F294 HydrophobicContact CG2-CE2 3.81Å; V252-F294 HydrophobicContact CG2-CZ 3.6Å; F290-F294 HydrophobicContact CB-CD2 4.38Å; F290-F294 AromaticContact CD1-CD2 3.81Å; F290-F294 HydrophobicContact CD1-CD2 3.81Å; F290-F294 AromaticContact CD1-CE2 3.58Å; F290-F294 HydrophobicContact CD1-CE2 3.58Å; F290-F294 AromaticContact CE1-CE2 3.98Å; F290-F294 HydrophobicContact CE1-CE2 3.98Å; F290-F294 WeakPolarHBondContact O-CB 3.19Å; F290-F294 WeakPolarHBondContact O-CD2 3.33Å; F290-F294 PolarHBondContact O-N 2.89Å; F294-R297 PolarHBondContact O-NH2 3.06Å
295	N	93.5	Very high	89.2	Confident	102 Å²	102	54.4 Å²	54.4	55%	0.545	32%	0.321	S	S	.	.			trans	-103.4	-4.3	-172.5	66.9	28.1	0	0	0	115.2	S292 E293 R297	S292-N295 PolarHBondContact O-ND2 2.84Å; E293-N295 PolarHBondContact O-N 2.81Å; N295-R297 VanDerWaalsContact C-N 3.34Å; N295-R297 WeakPolarHBondContact O-CB 3.33Å; N295-R297 PolarHBondContact O-N 3.17Å
296	E	95.9	Very high	89.2	Confident	55 Å²	55	52.4 Å²	52.4	26%	0.257	31%	0.308	S	S	.	.			trans	-68.9	91.2	174.5	-63.5	-176.5	-118.1	0	0	109.4	K160 Y166 S236	K160-E296 WeakPolarHBondContact CD-OE2 3.48Å; K160-E296 VanDerWaalsContact CE-OE2 3.24Å; K160-E296 WeakPolarHBondContact CE-OE2 3.29Å; K160-E296 IonicContact NZ-OE2 2.74Å; K160-E296 PolarHBondContact NZ-OE2 2.88Å; Y166-E296 PolarHBondContact OH-OE1 2.84Å; Y166-E296 PolarHBondContact OH-OE2 2.94Å; S236-E296 PolarHBondContact N-O 3.21Å; S236-E296 WeakPolarHBondContact OG-CB 3.21Å; S236-E296 PolarHBondContact OG-O 3.12Å
297	R	94.6	Very high	89.2	Confident	50 Å²	50	56 Å²	56	19%	0.189	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.4	-164.7	-177.3	175.6	-70	107.2	7.4	112.4	A233 T234 T235 S291 F294 N295	A233-R297 HydrophobicContact CB-CG 4.22Å; T234-R297 WeakPolarHBondContact O-CA 3.36Å; T235-R297 VanDerWaalsContact CG2-NH2 3.35Å; T235-R297 PolarHBondContact OG1-NE 3.07Å; T235-R297 PolarHBondContact OG1-NH2 3.37Å; S291-R297 PolarHBondContact O-NH1 3.44Å; F294-R297 PolarHBondContact O-NH2 3.06Å; N295-R297 VanDerWaalsContact C-N 3.34Å; N295-R297 WeakPolarHBondContact O-CB 3.33Å; N295-R297 PolarHBondContact O-N 3.17Å
298	F	95	Very high	89.6	Confident	30 Å²	30	60.3 Å²	60.3	13%	0.132	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.4	166.7	176.7	-114	0	0	0	109.2	R152 A153 F156 A233 T234 E300	R152-F298 HydrophobicContact CB-CE1 3.8Å; R152-F298 HydrophobicContact CB-CE2 4.13Å; R152-F298 HydrophobicContact CB-CZ 3.34Å; R152-F298 HydrophobicContact CG-CZ 4.42Å; A153-F298 HydrophobicContact CB-CD1 3.78Å; A153-F298 HydrophobicContact CB-CE1 3.83Å; F156-F298 HydrophobicContact CB-CB 4.23Å; F156-F298 HydrophobicContact CB-CG 4.41Å; F156-F298 HydrophobicContact CD1-CB 3.8Å; F156-F298 HydrophobicContact CD2-CB 4.04Å; F156-F298 HydrophobicContact CE1-CB 4.15Å; F156-F298 HydrophobicContact CE2-CB 4.36Å; F156-F298 HydrophobicContact CG-CB 3.75Å; F156-F298 HydrophobicContact CG-CG 4.44Å; F156-F298 HydrophobicContact CZ-CB 4.42Å; A233-F298 CarbonylContact C-O 3.47Å; A233-F298 WeakPolarHBondContact CA-O 3.24Å; T234-F298 PolarHBondContact N-O 3.45Å; T234-F298 PolarHBondContact O-N 2.51Å; F298-E300 HydrophobicContact CD1-CG 4.09Å; F298-E300 HydrophobicContact CE1-CG 3.28Å; F298-E300 WeakPolarHBondContact CE1-OE2 3.32Å; F298-E300 HydrophobicContact CE2-CG 4.4Å; F298-E300 HydrophobicContact CZ-CG 3.44Å; F298-E300 VanDerWaalsContact CZ-CG 3.44Å
299	T	93.5	Very high	89.5	Confident	56 Å²	56	56.4 Å²	56.4	34%	0.344	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.7	-177.4	-56.8	0	0	0	0	109.9	K232 A310	K232-T299 CarbonylContact O-C 3.37Å; K232-T299 VanDerWaalsContact O-CA 3.29Å; K232-T299 WeakPolarHBondContact O-CA 3.31Å; T299-A310 HydrophobicContact CG2-CB 4.39Å
300	E	92.6	Very high	89.4	Confident	56 Å²	56	55.6 Å²	55.6	26%	0.262	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.1	175.7	-62.3	176.1	106.7	0	0	109.2	I231 K232 F298	I231-E300 CarbonylContact C-O 3.5Å; I231-E300 WeakPolarHBondContact CA-O 3.39Å; K232-E300 HydrophobicContact CB-CB 4.36Å; K232-E300 PolarHBondContact N-O 2.9Å; K232-E300 PolarHBondContact O-N 2.61Å; F298-E300 HydrophobicContact CD1-CG 4.09Å; F298-E300 HydrophobicContact CE1-CG 3.28Å; F298-E300 WeakPolarHBondContact CE1-OE2 3.32Å; F298-E300 HydrophobicContact CE2-CG 4.4Å; F298-E300 HydrophobicContact CZ-CG 3.44Å; F298-E300 VanDerWaalsContact CZ-CG 3.44Å
301	V	93.3	Very high	89.2	Confident	62 Å²	62	55.8 Å²	55.8	38%	0.376	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.2	175.4	-178.4	0	0	0	0	107.6	E230 I231 V309	E230-V301 CarbonylContact O-C 3.46Å; E230-V301 WeakPolarHBondContact O-CA 3.31Å; I231-V301 HydrophobicContact CG1-CG1 4.48Å; I231-V301 HydrophobicContact CG2-CG2 4.26Å; V301-V309 HydrophobicContact CB-CG1 4.33Å; V301-V309 HydrophobicContact CG1-CG1 3.48Å; V301-V309 VanDerWaalsContact CG1-CG1 3.48Å; V301-V309 HydrophobicContact CG2-CG1 3.89Å; V301-V309 VanDerWaalsContact CG2-O 3.25Å; V301-V309 WeakPolarHBondContact CG2-O 3.38Å
302	T	93.8	Very high	89	Confident	35 Å²	35	56 Å²	56	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.7	177.8	-61.7	0	0	0	0	108.7	G229 E230 D333 V334	G229-T302 CarbonylContact C-O 3.59Å; G229-T302 WeakPolarHBondContact CA-O 3.21Å; E230-T302 PolarHBondContact N-O 3.31Å; E230-T302 PolarHBondContact O-N 3.39Å; T302-D333 HydrophobicContact CG2-CB 3.69Å; T302-V334 WeakPolarHBondContact CG2-O 3.17Å
303	G	93.3	Very high	88.1	Confident	15 Å²	15	56 Å²	56	16%	0.155	31%	0.305	C	S	.	.	S	Bend	trans	75.4	160.1	177.1	0	0	0	0	0	114.7	W324 L328 D333	G303-W324 PolarHBondContact O-NE1 3.48Å; G303-L328 VanDerWaalsContact C-CD2 3.44Å; G303-D333 VanDerWaalsContact CA-CB 3.4Å
304	G	92	Very high	86.3	Confident	21 Å²	21	57.2 Å²	57.2	22%	0.216	33%	0.331	C	S	.	.	S	Bend	trans	86.6	174	177.7	0	0	0	0	0	114.1	S327 L328 I331	G304-S327 WeakPolarHBondContact CA-OG 3.33Å; G304-L328 VanDerWaalsContact N-CD2 3.28Å; G304-I331 WeakPolarHBondContact CA-O 3.21Å; G304-I331 PolarHBondContact N-O 3Å
305	D	81.5	Confident	84.4	Confident	113 Å²	113	56.7 Å²	56.7	60%	0.604	33%	0.33	S	S	*	.	S	Bend	trans	-120.8	80.5	-180	-174.1	23.1	0	0	0	108.1	S327 I331	D305-S327 PolarHBondContact N-OG 2.87Å; D305-I331 HydrophobicContact CB-CD1 3.81Å
306	E	73.3	Confident	82.9	Confident	71 Å²	71	54.1 Å²	54.1	33%	0.332	32%	0.321	S	S	.	.			trans	-163	118.6	166.9	-90.7	-51.8	176.3	0	0	109.7	V309 V320 W324	E306-V309 HydrophobicContact CB-CB 4.42Å; E306-V320 HydrophobicContact CG-CG1 4.44Å; E306-W324 HydrophobicContact CB-CB 4.22Å; E306-W324 HydrophobicContact CG-CB 4.28Å
307	M	68.4	Low	81.9	Confident	195 Å²	195	55.1 Å²	55.1	96%	0.961	33%	0.328	S	S	*	.	S	Bend	trans	-79.4	-18.3	-178.2	-68.7	-151.2	-60.9	0	0	113.7
308	E	77	Confident	81.1	Confident	141 Å²	141	56.9 Å²	56.9	66%	0.659	35%	0.346	S	S	*	.	S	Bend	trans	-95.9	-6.2	-172.8	-62.1	-168.4	170.5	0	0	114	A310 G315	E308-A310 PolarHBondContact O-N 3.15Å; E308-G315 WeakPolarHBondContact O-CA 3.41Å
309	V	85.3	Confident	80.5	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.018	37%	0.365	C	S	.	.			trans	-65.7	124.6	-174.5	72.1	0	0	0	0	111.7	I231 V301 E306 V320 Y321 W324	I231-V309 HydrophobicContact CD1-CG1 4.5Å; I231-V309 HydrophobicContact CD1-CG2 3.56Å; V301-V309 HydrophobicContact CB-CG1 4.33Å; V301-V309 HydrophobicContact CG1-CG1 3.48Å; V301-V309 VanDerWaalsContact CG1-CG1 3.48Å; V301-V309 HydrophobicContact CG2-CG1 3.89Å; V301-V309 VanDerWaalsContact CG2-O 3.25Å; V301-V309 WeakPolarHBondContact CG2-O 3.38Å; E306-V309 HydrophobicContact CB-CB 4.42Å; V309-V320 HydrophobicContact CB-CG1 4.28Å; V309-Y321 HydrophobicContact CG2-CD1 3.55Å; V309-Y321 HydrophobicContact CG2-CE1 3.49Å; V309-Y321 VanDerWaalsContact CG2-CE1 3.49Å; V309-W324 HydrophobicContact CB-CB 4.49Å; V309-W324 HydrophobicContact CB-CG 4.34Å; V309-W324 HydrophobicContact CG1-CG 4.1Å; V309-W324 HydrophobicContact CG2-CB 4.22Å; V309-W324 HydrophobicContact CG2-CD2 4.28Å; V309-W324 HydrophobicContact CG2-CG 4.09Å
310	A	89.1	Confident	80	Confident	19 Å²	19	58.5 Å²	58.5	16%	0.157	36%	0.355	C	S	.	.			trans	-157.8	145	-178.9	0	0	0	0	0	111.9	T299 E308 F312 Y321	T299-A310 HydrophobicContact CG2-CB 4.39Å; E308-A310 PolarHBondContact O-N 3.15Å; A310-F312 PolarHBondContact O-N 3.2Å; A310-F312 VanDerWaalsContact O-N 3.09Å; A310-Y321 VanDerWaalsContact C-OH 3.27Å; A310-Y321 PolarHBondContact O-OH 3Å
311	L	88.8	Confident	79.7	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.026	35%	0.345	C	S	.	.	S	Bend	trans	-58.4	-24.6	179.2	-72.2	177.4	0	0	0	114.4	Q171 V173 I231 A233 A260 F264 Y321	Q171-L311 HydrophobicContact CB-CD1 3.66Å; V173-L311 HydrophobicContact CB-CD2 4.32Å; V173-L311 HydrophobicContact CG1-CD2 3.69Å; I231-L311 HydrophobicContact CB-CG 4.37Å; I231-L311 HydrophobicContact CG2-CD1 4.49Å; I231-L311 HydrophobicContact CG2-CD2 4.46Å; I231-L311 HydrophobicContact CG2-CG 3.81Å; A233-L311 HydrophobicContact CB-CB 4.35Å; A233-L311 HydrophobicContact CB-CD1 3.83Å; A260-L311 HydrophobicContact CB-CB 4.44Å; F264-L311 HydrophobicContact CE2-CD2 3.6Å; F264-L311 HydrophobicContact CZ-CD2 4.04Å; L311-Y321 WeakPolarHBondContact CA-OH 3.33Å
312	F	88.2	Confident	79.3	Confident	28 Å²	28	59.5 Å²	59.5	12%	0.123	35%	0.353	C	S	.	.	S	Bend	trans	-137.9	139.9	-177.5	-54.1	-78	0	0	0	110.1	Q171 A233 L256 E259 A260 S291 A310	Q171-F312 HydrophobicContact CG-CZ 4.38Å; A233-F312 HydrophobicContact CB-CD2 4.08Å; A233-F312 HydrophobicContact CB-CE2 3.81Å; L256-F312 HydrophobicContact CB-CE1 4.36Å; L256-F312 HydrophobicContact CB-CZ 4.06Å; L256-F312 HydrophobicContact CD2-CE1 4.13Å; L256-F312 HydrophobicContact CD2-CZ 4.21Å; L256-F312 VanDerWaalsContact O-CE1 3.27Å; L256-F312 WeakPolarHBondContact O-CE1 3.37Å; L256-F312 WeakPolarHBondContact O-CZ 3.44Å; E259-F312 HydrophobicContact CB-CE1 4.26Å; A260-F312 HydrophobicContact CB-CE1 3.72Å; A260-F312 HydrophobicContact CB-CE2 4.48Å; A260-F312 HydrophobicContact CB-CZ 3.71Å; S291-F312 VanDerWaalsContact CB-CD1 3.46Å; A310-F312 PolarHBondContact O-N 3.2Å; A310-F312 VanDerWaalsContact O-N 3.09Å
313	G	73.2	Confident	79.2	Confident	50 Å²	50	61.8 Å²	61.8	52%	0.515	36%	0.363	S	S	.	.	S	Bend	trans	100.8	-162.6	177.1	0	0	0	0	0	114	G315 S316	G313-G315 PolarHBondContact O-N 3.46Å; G313-G315 VanDerWaalsContact O-N 3.1Å; G313-S316 VanDerWaalsContact O-CB 3.26Å; G313-S316 WeakPolarHBondContact O-CB 3.49Å; G313-S316 PolarHBondContact O-N 2.96Å; G313-S316 PolarHBondContact O-OG 3.43Å
314	G	56.5	Low	79.1	Confident	77 Å²	77	61.1 Å²	61.1	79%	0.794	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.6	-22.4	-173.9	0	0	0	0	0	115.5	S316	G314-S316 PolarHBondContact O-N 3.19Å
315	G	54.6	Low	79	Confident	6 Å²	6	62.5 Å²	62.5	6%	0.062	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-73	4.1	171.9	0	0	0	0	0	115.5	E308 G313 D317	E308-G315 WeakPolarHBondContact O-CA 3.41Å; G313-G315 PolarHBondContact O-N 3.46Å; G313-G315 VanDerWaalsContact O-N 3.1Å; G315-D317 PolarHBondContact O-N 3.41Å
316	S	61.5	Low	79.5	Confident	49 Å²	49	60.4 Å²	60.4	34%	0.343	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-82.2	3.2	179.7	69.2	0	0	0	0	114.4	S263 G313 G314	S263-S316 PolarHBondContact OG-O 3.22Å; G313-S316 VanDerWaalsContact O-CB 3.26Å; G313-S316 WeakPolarHBondContact O-CB 3.49Å; G313-S316 PolarHBondContact O-N 2.96Å; G313-S316 PolarHBondContact O-OG 3.43Å; G314-S316 PolarHBondContact O-N 3.19Å
317	D	73.4	Confident	80.5	Confident	75 Å²	75	57.9 Å²	57.9	40%	0.401	34%	0.337	S	S	.	.			trans	-61.3	124.4	178.5	-171.2	-28.6	0	0	0	110.6	G315 D319 V320 Y321	G315-D317 PolarHBondContact O-N 3.41Å; D317-D319 PolarHBondContact O-N 3.16Å; D317-D319 VanDerWaalsContact O-N 3.13Å; D317-D319 PolarHBondContact OD1-N 3.44Å; D317-V320 HydrophobicContact CB-CB 4.15Å; D317-V320 HydrophobicContact CB-CG2 3.82Å; D317-V320 PolarHBondContact O-N 3.06Å; D317-V320 VanDerWaalsContact O-N 3.1Å; D317-Y321 WeakPolarHBondContact O-CD2 3.32Å; D317-Y321 PolarHBondContact O-N 3.04Å; D317-Y321 VanDerWaalsContact O-N 3.12Å
318	P	78.1	Confident	81.7	Confident	88 Å²	88	48.6 Å²	48.6	57%	0.571	29%	0.292	S	S	*	.	H	α-helix	trans	-50.4	-33.6	175	-27.9	35.6	0	0	0	114.4	K322	P318-K322 VanDerWaalsContact O-CB 3.28Å; P318-K322 WeakPolarHBondContact O-CB 3.26Å; P318-K322 PolarHBondContact O-N 2.78Å
319	D	82.3	Confident	82.5	Confident	98 Å²	98	44.5 Å²	44.5	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-73.3	-39.6	179.5	-74.8	-30.5	0	0	0	111.9	D317 Y321 K322 N323	D317-D319 PolarHBondContact O-N 3.16Å; D317-D319 VanDerWaalsContact O-N 3.13Å; D317-D319 PolarHBondContact OD1-N 3.44Å; D319-Y321 VanDerWaalsContact C-N 3.34Å; D319-Y321 PolarHBondContact O-N 2.84Å; D319-K322 PolarHBondContact O-N 3.21Å; D319-N323 WeakPolarHBondContact O-CB 3.44Å; D319-N323 PolarHBondContact O-N 2.92Å; D319-N323 PolarHBondContact O-ND2 3.34Å
320	V	84.5	Confident	83	Confident	22 Å²	22	47.8 Å²	47.8	13%	0.133	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-46.2	172.7	173.3	0	0	0	0	110.2	E306 V309 D317 K322 N323 W324	E306-V320 HydrophobicContact CG-CG1 4.44Å; V309-V320 HydrophobicContact CB-CG1 4.28Å; D317-V320 HydrophobicContact CB-CB 4.15Å; D317-V320 HydrophobicContact CB-CG2 3.82Å; D317-V320 PolarHBondContact O-N 3.06Å; D317-V320 VanDerWaalsContact O-N 3.1Å; V320-K322 PolarHBondContact O-N 2.54Å; V320-N323 PolarHBondContact O-N 2.87Å; V320-W324 WeakPolarHBondContact O-CB 3.27Å; V320-W324 PolarHBondContact O-N 3.31Å
321	Y	84.8	Confident	83.3	Confident	13 Å²	13	51 Å²	51	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-39.8	176.8	-76.7	-60.9	0	0	0	113.6	I231 F264 V309 A310 L311 D317 D319 N323 L325	I231-Y321 HydrophobicContact CD1-CD1 4.22Å; I231-Y321 HydrophobicContact CD1-CE1 3.7Å; F264-Y321 AromaticContact CE1-CD1 3.82Å; F264-Y321 HydrophobicContact CE1-CD1 3.82Å; F264-Y321 AromaticContact CE1-CE1 3.85Å; F264-Y321 HydrophobicContact CE1-CE1 3.85Å; F264-Y321 HydrophobicContact CE1-CE2 4.49Å; F264-Y321 HydrophobicContact CE1-CG 4.16Å; F264-Y321 HydrophobicContact CE2-CE1 4.34Å; F264-Y321 AromaticContact CZ-CD1 3.81Å; F264-Y321 HydrophobicContact CZ-CD1 3.81Å; F264-Y321 HydrophobicContact CZ-CD2 4.48Å; F264-Y321 AromaticContact CZ-CE1 3.33Å; F264-Y321 HydrophobicContact CZ-CE1 3.33Å; F264-Y321 HydrophobicContact CZ-CE2 4.03Å; F264-Y321 HydrophobicContact CZ-CG 4.35Å; F264-Y321 AromaticContact CZ-CZ 3.42Å; F264-Y321 VanDerWaalsContact CZ-CZ 3.42Å; V309-Y321 HydrophobicContact CG2-CD1 3.55Å; V309-Y321 HydrophobicContact CG2-CE1 3.49Å; V309-Y321 VanDerWaalsContact CG2-CE1 3.49Å; A310-Y321 VanDerWaalsContact C-OH 3.27Å; A310-Y321 PolarHBondContact O-OH 3Å; L311-Y321 WeakPolarHBondContact CA-OH 3.33Å; D317-Y321 WeakPolarHBondContact O-CD2 3.32Å; D317-Y321 PolarHBondContact O-N 3.04Å; D317-Y321 VanDerWaalsContact O-N 3.12Å; D319-Y321 VanDerWaalsContact C-N 3.34Å; D319-Y321 PolarHBondContact O-N 2.84Å; Y321-N323 VanDerWaalsContact C-N 3.33Å; Y321-L325 WeakPolarHBondContact O-CB 3.47Å; Y321-L325 PolarHBondContact O-N 3.25Å
322	K	86.7	Confident	83.6	Confident	125 Å²	125	51.2 Å²	51.2	54%	0.543	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-40.6	178	-178.4	-177	173.5	-168.9	0	110.9	P318 D319 V320 N326	P318-K322 VanDerWaalsContact O-CB 3.28Å; P318-K322 WeakPolarHBondContact O-CB 3.26Å; P318-K322 PolarHBondContact O-N 2.78Å; D319-K322 PolarHBondContact O-N 3.21Å; V320-K322 PolarHBondContact O-N 2.54Å; K322-N326 WeakPolarHBondContact O-CB 3.35Å; K322-N326 VanDerWaalsContact O-CG 3.3Å; K322-N326 PolarHBondContact O-N 2.82Å; K322-N326 PolarHBondContact O-ND2 3.37Å; K322-N326 VanDerWaalsContact O-ND2 3.1Å
323	N	89.8	Confident	84.1	Confident	83 Å²	83	51.6 Å²	51.6	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-50.7	176.1	-69.1	-14	0	0	0	110.9	D319 V320 Y321 L325 N326 S327	D319-N323 WeakPolarHBondContact O-CB 3.44Å; D319-N323 PolarHBondContact O-N 2.92Å; D319-N323 PolarHBondContact O-ND2 3.34Å; V320-N323 PolarHBondContact O-N 2.87Å; Y321-N323 VanDerWaalsContact C-N 3.33Å; N323-L325 PolarHBondContact O-N 2.83Å; N323-N326 PolarHBondContact O-N 2.8Å; N323-N326 VanDerWaalsContact O-N 3.12Å; N323-S327 PolarHBondContact O-N 3.09Å
324	W	91.4	Very high	85.2	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-53.4	-52.9	173.9	176.4	76.1	0	0	0	111.1	M103 I231 G303 E306 V309 V320 N326 S327 L328	M103-W324 HydrophobicContact CE-CH2 4.27Å; M103-W324 HydrophobicContact CE-CZ3 3.55Å; M103-W324 HydrophobicContact SD-CZ3 4.45Å; I231-W324 HydrophobicContact CD1-CE3 4.32Å; I231-W324 HydrophobicContact CD1-CH2 4.03Å; I231-W324 HydrophobicContact CD1-CZ2 4.28Å; I231-W324 HydrophobicContact CD1-CZ3 4.08Å; I231-W324 HydrophobicContact CG1-CH2 3.89Å; I231-W324 HydrophobicContact CG1-CZ2 3.88Å; I231-W324 HydrophobicContact CG1-CZ3 4.45Å; G303-W324 PolarHBondContact O-NE1 3.48Å; E306-W324 HydrophobicContact CB-CB 4.22Å; E306-W324 HydrophobicContact CG-CB 4.28Å; V309-W324 HydrophobicContact CB-CB 4.49Å; V309-W324 HydrophobicContact CB-CG 4.34Å; V309-W324 HydrophobicContact CG1-CG 4.1Å; V309-W324 HydrophobicContact CG2-CB 4.22Å; V309-W324 HydrophobicContact CG2-CD2 4.28Å; V309-W324 HydrophobicContact CG2-CG 4.09Å; V320-W324 WeakPolarHBondContact O-CB 3.27Å; V320-W324 PolarHBondContact O-N 3.31Å; W324-N326 VanDerWaalsContact C-N 3.26Å; W324-N326 PolarHBondContact O-N 2.95Å; W324-S327 WeakPolarHBondContact O-CB 3.4Å; W324-S327 PolarHBondContact O-N 3.2Å; W324-S327 PolarHBondContact O-OG 2.77Å; W324-L328 HydrophobicContact CD2-CD1 4.36Å; W324-L328 HydrophobicContact CE3-CD1 4.16Å; W324-L328 HydrophobicContact CH2-CD1 3.79Å; W324-L328 HydrophobicContact CZ2-CD1 3.98Å; W324-L328 HydrophobicContact CZ2-CD2 4.08Å; W324-L328 HydrophobicContact CZ2-CG 4.49Å; W324-L328 HydrophobicContact CZ3-CD1 3.85Å; W324-L328 WeakPolarHBondContact O-CG 3.44Å; W324-L328 PolarHBondContact O-N 3.41Å
325	L	90.7	Very high	87	Confident	50 Å²	50	46.2 Å²	46.2	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-35.5	179.4	-179.1	64	0	0	0	113.1	M103 C175 F177 Y321 N323 L328	M103-L325 HydrophobicContact SD-CD1 4.48Å; C175-L325 HydrophobicContact CB-CD1 4.14Å; C175-L325 WeakPolarHBondContact SG-CD1 3.25Å; F177-L325 HydrophobicContact CE2-CD1 3.97Å; F177-L325 HydrophobicContact CZ-CD1 3.89Å; F177-L325 HydrophobicContact CZ-CG 4.46Å; Y321-L325 WeakPolarHBondContact O-CB 3.47Å; Y321-L325 PolarHBondContact O-N 3.25Å; N323-L325 PolarHBondContact O-N 2.83Å; L325-L328 HydrophobicContact CD1-CD1 4.17Å
326	N	91.7	Very high	89	Confident	70 Å²	70	49 Å²	49	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-71.9	-39.9	175.7	-78.9	-35.7	0	0	0	112.1	K322 N323 W324 L328 K329	K322-N326 WeakPolarHBondContact O-CB 3.35Å; K322-N326 VanDerWaalsContact O-CG 3.3Å; K322-N326 PolarHBondContact O-N 2.82Å; K322-N326 PolarHBondContact O-ND2 3.37Å; K322-N326 VanDerWaalsContact O-ND2 3.1Å; N323-N326 PolarHBondContact O-N 2.8Å; N323-N326 VanDerWaalsContact O-N 3.12Å; W324-N326 VanDerWaalsContact C-N 3.26Å; W324-N326 PolarHBondContact O-N 2.95Å; N326-L328 PolarHBondContact O-N 2.76Å; N326-K329 WeakPolarHBondContact O-CB 3.34Å; N326-K329 PolarHBondContact O-N 2.88Å; N326-K329 PolarHBondContact OD1-NZ 3.14Å
327	S	94.1	Very high	90.7	Very high	17 Å²	17	47.6 Å²	47.6	12%	0.119	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-28.6	177.4	77.2	0	0	0	0	112.7	G304 D305 N323 W324 K329 T330 I331	G304-S327 WeakPolarHBondContact CA-OG 3.33Å; D305-S327 PolarHBondContact N-OG 2.87Å; N323-S327 PolarHBondContact O-N 3.09Å; W324-S327 WeakPolarHBondContact O-CB 3.4Å; W324-S327 PolarHBondContact O-N 3.2Å; W324-S327 PolarHBondContact O-OG 2.77Å; S327-K329 PolarHBondContact O-N 3.46Å; S327-T330 PolarHBondContact O-N 3.17Å; S327-T330 PolarHBondContact O-OG1 2.95Å; S327-I331 PolarHBondContact O-N 2.6Å
328	L	94.6	Very high	91.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.3	176.3	-61.1	-177.9	0	0	0	113.8	C175 F177 G303 G304 W324 L325 N326 T330 P332	C175-L328 HydrophobicContact CB-CD1 4.08Å; F177-L328 HydrophobicContact CD2-CB 3.64Å; F177-L328 HydrophobicContact CD2-CD1 4.46Å; F177-L328 HydrophobicContact CE2-CB 3.48Å; F177-L328 VanDerWaalsContact CE2-CB 3.48Å; F177-L328 HydrophobicContact CE2-CD1 3.96Å; F177-L328 HydrophobicContact CE2-CG 4.34Å; G303-L328 VanDerWaalsContact C-CD2 3.44Å; G304-L328 VanDerWaalsContact N-CD2 3.28Å; W324-L328 HydrophobicContact CD2-CD1 4.36Å; W324-L328 HydrophobicContact CE3-CD1 4.16Å; W324-L328 HydrophobicContact CH2-CD1 3.79Å; W324-L328 HydrophobicContact CZ2-CD1 3.98Å; W324-L328 HydrophobicContact CZ2-CD2 4.08Å; W324-L328 HydrophobicContact CZ2-CG 4.49Å; W324-L328 HydrophobicContact CZ3-CD1 3.85Å; W324-L328 WeakPolarHBondContact O-CG 3.44Å; W324-L328 PolarHBondContact O-N 3.41Å; L325-L328 HydrophobicContact CD1-CD1 4.17Å; N326-L328 PolarHBondContact O-N 2.76Å; L328-T330 VanDerWaalsContact C-N 3.32Å; L328-P332 VanDerWaalsContact O-CB 3.29Å; L328-P332 WeakPolarHBondContact O-CB 3.36Å
329	K	93.8	Very high	92.9	Very high	56 Å²	56	41.4 Å²	41.4	24%	0.243	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.2	176	-65.4	164.6	-173.1	160.2	0	112.1	Y80 Q81 F177 Y178 N326 S327	Y80-K329 HydrophobicContact CD1-CD 3.97Å; Y80-K329 HydrophobicContact CD1-CG 4.07Å; Y80-K329 HydrophobicContact CG-CD 4.49Å; Y80-K329 HydrophobicContact CG-CG 4.19Å; Q81-K329 PolarHBondContact NE2-O 2.98Å; F177-K329 HydrophobicContact CD1-CG 4.11Å; F177-K329 HydrophobicContact CE1-CG 3.9Å; F177-K329 HydrophobicContact CE2-CG 4.49Å; F177-K329 HydrophobicContact CG-CG 4.48Å; F177-K329 HydrophobicContact CZ-CG 4.11Å; Y178-K329 PolarHBondContact OH-O 2.69Å; N326-K329 WeakPolarHBondContact O-CB 3.34Å; N326-K329 PolarHBondContact O-N 2.88Å; N326-K329 PolarHBondContact OD1-NZ 3.14Å; S327-K329 PolarHBondContact O-N 3.46Å
330	T	94.6	Very high	93.6	Very high	72 Å²	72	41.4 Å²	41.4	44%	0.442	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-37.9	179.7	45.6	0	0	0	0	111.9	S327 L328 P332	S327-T330 PolarHBondContact O-N 3.17Å; S327-T330 PolarHBondContact O-OG1 2.95Å; L328-T330 VanDerWaalsContact C-N 3.32Å; T330-P332 VanDerWaalsContact O-CD 3.29Å; T330-P332 WeakPolarHBondContact O-CD 3.26Å
331	I	95.6	Very high	94.3	Very high	86 Å²	86	40.5 Å²	40.5	44%	0.441	20%	0.203	S	C	.	.	S	Bend	trans	-122.4	61.5	-175.8	-51	164	0	0	0	109.1	G304 D305 S327	G304-I331 WeakPolarHBondContact CA-O 3.21Å; G304-I331 PolarHBondContact N-O 3Å; D305-I331 HydrophobicContact CB-CD1 3.81Å; S327-I331 PolarHBondContact O-N 2.6Å
332	P	96.6	Very high	94.9	Very high	9 Å²	9	39.9 Å²	39.9	6%	0.058	20%	0.2	C	C	.	.			trans	-76	156.9	174.3	35.4	-36.7	0	0	0	110.5	P39 Y178 L227 G228 L328 T330	P39-P332 HydrophobicContact CB-CG 3.71Å; Y178-P332 HydrophobicContact CD2-CB 4.18Å; Y178-P332 HydrophobicContact CD2-CG 3.92Å; Y178-P332 HydrophobicContact CE2-CB 4.37Å; Y178-P332 HydrophobicContact CE2-CG 3.98Å; L227-P332 HydrophobicContact CB-CB 3.9Å; L227-P332 HydrophobicContact CB-CG 4.28Å; L227-P332 HydrophobicContact CD1-CG 4.46Å; G228-P332 WeakPolarHBondContact O-CA 2.94Å; L328-P332 VanDerWaalsContact O-CB 3.29Å; L328-P332 WeakPolarHBondContact O-CB 3.36Å; T330-P332 VanDerWaalsContact O-CD 3.29Å; T330-P332 WeakPolarHBondContact O-CD 3.26Å
333	D	96.8	Very high	95.4	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.193	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	174.9	169.2	-160	2.8	0	0	0	111.1	R55 L227 G228 T302 G303 V335	R55-D333 IonicContact CZ-OD1 2.77Å; R55-D333 IonicContact CZ-OD2 3.9Å; R55-D333 IonicContact NH1-OD1 3.07Å; R55-D333 PolarHBondContact NH1-OD1 3.48Å; R55-D333 VanDerWaalsContact NH2-CG 3.3Å; R55-D333 IonicContact NH2-OD1 2.98Å; R55-D333 PolarHBondContact NH2-OD1 3.42Å; R55-D333 IonicContact NH2-OD2 3.36Å; R55-D333 PolarHBondContact NH2-OD2 3.12Å; L227-D333 CarbonylContact C-O 3.5Å; L227-D333 VanDerWaalsContact CA-O 3.26Å; L227-D333 WeakPolarHBondContact CA-O 3.39Å; G228-D333 PolarHBondContact N-O 3.25Å; G228-D333 PolarHBondContact O-N 3.26Å; T302-D333 HydrophobicContact CG2-CB 3.69Å; G303-D333 VanDerWaalsContact CA-CB 3.4Å; D333-V335 PolarHBondContact O-N 3.26Å
334	V	96.6	Very high	95.8	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	112.6	-170	-171.6	0	0	0	0	111.2	L43 V225 L227 T302 Y337	L43-V334 HydrophobicContact CB-CG2 3.55Å; L43-V334 HydrophobicContact CD1-CG2 4.04Å; L43-V334 HydrophobicContact CG-CG2 4.32Å; V225-V334 HydrophobicContact CB-CG1 4.27Å; V225-V334 HydrophobicContact CB-CG2 4.49Å; V225-V334 HydrophobicContact CG1-CG1 3.96Å; V225-V334 HydrophobicContact CG1-CG2 4Å; L227-V334 HydrophobicContact CD2-CB 4.23Å; L227-V334 HydrophobicContact CD2-CG2 3.64Å; T302-V334 WeakPolarHBondContact CG2-O 3.17Å; V334-Y337 HydrophobicContact CG1-CD1 3.37Å; V334-Y337 HydrophobicContact CG1-CE1 4.26Å; V334-Y337 HydrophobicContact CG1-CG 3.88Å
335	V	95.6	Very high	96	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-44.7	177.9	177.2	0	0	0	0	111.5	N174 N176 Y226 E230 D333	N174-V335 HydrophobicContact CB-CG1 3.72Å; N176-V335 VanDerWaalsContact OD1-CB 3.31Å; N176-V335 WeakPolarHBondContact OD1-CB 3.5Å; Y226-V335 PolarHBondContact O-N 3.09Å; E230-V335 HydrophobicContact CB-CG1 4.13Å; E230-V335 HydrophobicContact CB-CG2 4.22Å; D333-V335 PolarHBondContact O-N 3.26Å
336	Q	96.1	Very high	96.3	Very high	65 Å²	65	31.7 Å²	31.7	30%	0.304	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.8	177.2	-67.1	171.3	-2.9	0	0	109.9	V225 Y226	V225-Q336 CarbonylContact C-O 3.59Å; Y226-Q336 HydrophobicContact CD2-CB 3.97Å; Y226-Q336 HydrophobicContact CG-CB 4.24Å; Y226-Q336 PolarHBondContact N-O 3.41Å; Y226-Q336 PolarHBondContact O-N 3.16Å
337	Y	97.4	Very high	96.4	Very high	19 Å²	19	31.7 Å²	31.7	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	157	-171.6	43.5	-79.2	0	0	0	112.9	Y48 M53 S123 V124 S125 Q224 V334 L339	Y48-Y337 HydrophobicContact CD2-CE2 4.35Å; Y48-Y337 HydrophobicContact CE1-CE2 4.05Å; Y48-Y337 AromaticContact CE2-CE2 3.73Å; Y48-Y337 HydrophobicContact CE2-CE2 3.73Å; Y48-Y337 AromaticContact CE2-CZ 3.97Å; Y48-Y337 AromaticContact CZ-CE2 3.57Å; Y48-Y337 AromaticContact CZ-CZ 3.8Å; Y48-Y337 PolarHBondContact OH-OH 3.05Å; M53-Y337 VanDerWaalsContact CE-OH 3.24Å; M53-Y337 WeakPolarHBondContact CE-OH 3.34Å; S123-Y337 PolarHBondContact O-N 2.62Å; V124-Y337 WeakPolarHBondContact CA-O 3.46Å; V124-Y337 HydrophobicContact CG2-CD2 4.42Å; V124-Y337 HydrophobicContact CG2-CE2 3.77Å; S125-Y337 PolarHBondContact N-O 3.2Å; Q224-Y337 CarbonylContact O-C 2.93Å; Q224-Y337 WeakPolarHBondContact O-CA 3.33Å; Q224-Y337 WeakPolarHBondContact O-CB 3.41Å; V334-Y337 HydrophobicContact CG1-CD1 3.37Å; V334-Y337 HydrophobicContact CG1-CE1 4.26Å; V334-Y337 HydrophobicContact CG1-CG 3.88Å; Y337-L339 HydrophobicContact CD2-CD1 4.28Å; Y337-L339 HydrophobicContact CD2-CD2 3.79Å; Y337-L339 HydrophobicContact CD2-CG 3.89Å; Y337-L339 HydrophobicContact CE2-CD1 4.11Å; Y337-L339 HydrophobicContact CE2-CD2 4.26Å; Y337-L339 HydrophobicContact CE2-CG 4.23Å
338	N	98.4	Very high	96.4	Very high	33 Å²	33	37.6 Å²	37.6	18%	0.176	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.2	169.1	-65.3	14.5	0	0	0	109.9	S125 N126 I222 T223 Q224	S125-N338 WeakPolarHBondContact CB-OD1 3.12Å; N126-N338 HydrophobicContact CB-CB 4.36Å; N126-N338 WeakPolarHBondContact OD1-CA 3Å; N126-N338 WeakPolarHBondContact OD1-CB 3.43Å; I222-N338 WeakPolarHBondContact CA-O 3.3Å; T223-N338 PolarHBondContact N-O 2.79Å; T223-N338 WeakPolarHBondContact OG1-CB 3.32Å; T223-N338 PolarHBondContact OG1-O 2.88Å; T223-N338 VanDerWaalsContact OG1-O 3.12Å; Q224-N338 HydrophobicContact CB-CB 3.82Å; Q224-N338 PolarHBondContact O-N 3.33Å
339	L	98.4	Very high	96.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.5	179.8	-64.4	179.2	0	0	0	111.2	Y48 I50 V124 N126 W128 H220 Y221 I222 Y337	Y48-L339 HydrophobicContact CD1-CD1 3.5Å; Y48-L339 VanDerWaalsContact CD1-CD1 3.5Å; Y48-L339 HydrophobicContact CD1-CD2 3.92Å; Y48-L339 HydrophobicContact CD1-CG 4.37Å; Y48-L339 HydrophobicContact CD2-CD2 4.31Å; Y48-L339 HydrophobicContact CE1-CD1 3.79Å; Y48-L339 HydrophobicContact CG-CD1 4.2Å; Y48-L339 HydrophobicContact CG-CD2 3.73Å; I50-L339 HydrophobicContact CD1-CD1 3.78Å; V124-L339 HydrophobicContact CG1-CB 4.31Å; V124-L339 HydrophobicContact CG1-CD1 3.97Å; V124-L339 HydrophobicContact CG1-CG 4.03Å; V124-L339 HydrophobicContact CG2-CD1 3.86Å; N126-L339 PolarHBondContact ND2-O 2.81Å; N126-L339 PolarHBondContact OD1-N 3.06Å; W128-L339 HydrophobicContact CB-CB 4.16Å; H220-L339 HydrophobicContact CB-CB 4.02Å; H220-L339 HydrophobicContact CB-CD1 4.32Å; H220-L339 HydrophobicContact CB-CD2 4.26Å; H220-L339 HydrophobicContact CB-CG 4.43Å; Y221-L339 WeakPolarHBondContact O-CA 3.15Å; I222-L339 HydrophobicContact CG1-CD2 3.81Å; Y337-L339 HydrophobicContact CD2-CD1 4.28Å; Y337-L339 HydrophobicContact CD2-CD2 3.79Å; Y337-L339 HydrophobicContact CD2-CG 3.89Å; Y337-L339 HydrophobicContact CE2-CD1 4.11Å; Y337-L339 HydrophobicContact CE2-CD2 4.26Å; Y337-L339 HydrophobicContact CE2-CG 4.23Å
340	K	98.1	Very high	96.4	Very high	97 Å²	97	43.6 Å²	43.6	42%	0.422	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142	163.8	-77.4	-169.6	-178.4	-178.3	0	109.9	H220 Y221 T223	H220-K340 CarbonylContact C-O 3.58Å; H220-K340 WeakPolarHBondContact CA-O 3.39Å; H220-K340 WeakPolarHBondContact CB-O 3.37Å; H220-K340 VanDerWaalsContact CD2-C 3.47Å; Y221-K340 HydrophobicContact CD1-CB 4.21Å; Y221-K340 WeakPolarHBondContact CD1-O 3.47Å; Y221-K340 HydrophobicContact CE1-CB 3.5Å; Y221-K340 WeakPolarHBondContact CE1-O 3.29Å; Y221-K340 PolarHBondContact N-O 3.42Å; Y221-K340 PolarHBondContact O-N 2.69Å; T223-K340 HydrophobicContact CG2-CB 3.97Å; T223-K340 HydrophobicContact CG2-CD 3.97Å; T223-K340 HydrophobicContact CG2-CG 3.82Å
341	P	98.3	Very high	96.4	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.019	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	143.7	177.5	-21	30.5	0	0	0	111.6	I130 L132 H343 T344	I130-P341 WeakPolarHBondContact O-CG 3.32Å; L132-P341 HydrophobicContact CD1-CB 4.42Å; L132-P341 HydrophobicContact CD1-CG 4.02Å; L132-P341 HydrophobicContact CD2-CB 3.84Å; L132-P341 HydrophobicContact CD2-CG 3.98Å; L132-P341 HydrophobicContact CG-CB 4.15Å; L132-P341 HydrophobicContact CG-CG 3.72Å; P341-H343 PolarHBondContact O-N 2.87Å; P341-H343 VanDerWaalsContact O-N 3.09Å; P341-T344 HydrophobicContact CB-CG2 4.2Å; P341-T344 HydrophobicContact CG-CG2 4.26Å; P341-T344 PolarHBondContact O-N 3.41Å; P341-T344 PolarHBondContact O-OG1 3.29Å
342	L	97.9	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-52.4	-40.6	-174.1	-77.6	-173	0	0	0	113.5	V60 F192 G218 T219 Y221 T344 I345 L356	V60-L342 HydrophobicContact CB-CD2 4.5Å; V60-L342 HydrophobicContact CG1-CD2 4.17Å; V60-L342 HydrophobicContact CG2-CD2 3.55Å; F192-L342 HydrophobicContact CE2-CD2 4.38Å; G218-L342 WeakPolarHBondContact O-CD1 3.27Å; T219-L342 PolarHBondContact O-N 2.93Å; Y221-L342 HydrophobicContact CD1-CD2 4.33Å; L342-T344 PolarHBondContact O-N 2.83Å; L342-T344 VanDerWaalsContact O-N 3.09Å; L342-I345 VanDerWaalsContact O-CG2 3.31Å; L342-I345 WeakPolarHBondContact O-CG2 3.48Å; L342-I345 PolarHBondContact O-N 3.45Å; L342-L356 HydrophobicContact CB-CD2 3.94Å; L342-L356 HydrophobicContact CB-CG 4.39Å
343	H	97.6	Very high	96.4	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.051	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.7	-177.5	78.3	-89.8	0	0	0	113.8	G131 P341 I345 L346 K353 L356 K357	G131-H343 PolarHBondContact O-CE1 3.16Å; G131-H343 PolarHBondContact O-NE2 3.49Å; P341-H343 PolarHBondContact O-N 2.87Å; P341-H343 VanDerWaalsContact O-N 3.09Å; H343-I345 VanDerWaalsContact C-N 3.26Å; H343-I345 PolarHBondContact O-N 3.1Å; H343-L346 PolarHBondContact O-N 3.42Å; H343-K353 HydrophobicContact CB-CG 4.43Å; H343-K353 WeakPolarHBondContact O-CE 3.39Å; H343-L356 HydrophobicContact CB-CB 4.18Å; H343-L356 HydrophobicContact CB-CD2 4.38Å; H343-L356 HydrophobicContact CB-CG 4.16Å; H343-K357 HydrophobicContact CB-CB 4.02Å
344	T	97.1	Very high	96.3	Very high	45 Å²	45	49.7 Å²	49.7	28%	0.276	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-73.8	-19	-175.7	70	0	0	0	0	113.2	P341 L342 L346	P341-T344 HydrophobicContact CB-CG2 4.2Å; P341-T344 HydrophobicContact CG-CG2 4.26Å; P341-T344 PolarHBondContact O-N 3.41Å; P341-T344 PolarHBondContact O-OG1 3.29Å; L342-T344 PolarHBondContact O-N 2.83Å; L342-T344 VanDerWaalsContact O-N 3.09Å; T344-L346 VanDerWaalsContact C-N 3.29Å
345	I	96.6	Very high	96.3	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.138	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-78.1	-18.3	177.7	-157.7	66.8	0	0	0	112.5	V60 I61 P186 L188 F192 Y221 L342 H343	V60-I345 HydrophobicContact CG1-CG2 4.21Å; I61-I345 HydrophobicContact CD1-CD1 3.79Å; I61-I345 HydrophobicContact CD1-CG1 3.92Å; P186-I345 HydrophobicContact CG-CD1 3.89Å; L188-I345 HydrophobicContact CD2-CB 4.39Å; L188-I345 HydrophobicContact CD2-CD1 4.4Å; L188-I345 HydrophobicContact CD2-CG1 3.39Å; L188-I345 HydrophobicContact CD2-CG2 4.04Å; F192-I345 HydrophobicContact CE1-CG2 3.71Å; F192-I345 HydrophobicContact CZ-CG2 4.13Å; Y221-I345 HydrophobicContact CE1-CB 4.03Å; Y221-I345 HydrophobicContact CE2-CD1 3.99Å; Y221-I345 WeakPolarHBondContact OH-CD1 3.26Å; L342-I345 VanDerWaalsContact O-CG2 3.31Å; L342-I345 WeakPolarHBondContact O-CG2 3.48Å; L342-I345 PolarHBondContact O-N 3.45Å; H343-I345 VanDerWaalsContact C-N 3.26Å; H343-I345 PolarHBondContact O-N 3.1Å
346	L	96.2	Very high	96.4	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.026	24%	0.239	C	C	.	.	S	Bend	trans	-80.4	143.2	-179.3	-59.2	177.3	0	0	0	111.2	F192 V196 H343 T344 H350 A352 K353 L356	F192-L346 HydrophobicContact CE1-CD2 4.36Å; V196-L346 HydrophobicContact CB-CD2 4.23Å; V196-L346 HydrophobicContact CG1-CD2 4.32Å; V196-L346 HydrophobicContact CG2-CD2 3.88Å; H343-L346 PolarHBondContact O-N 3.42Å; T344-L346 VanDerWaalsContact C-N 3.29Å; L346-H350 HydrophobicContact CB-CB 4.02Å; L346-A352 HydrophobicContact CD1-CB 4.3Å; L346-K353 HydrophobicContact CB-CB 4.18Å; L346-K353 HydrophobicContact CB-CD 4.37Å; L346-K353 HydrophobicContact CB-CG 4.37Å; L346-K353 HydrophobicContact CD1-CB 4.37Å; L346-K353 WeakPolarHBondContact O-CD 3.35Å; L346-K353 WeakPolarHBondContact O-CE 3.14Å; L346-K353 PolarHBondContact O-NZ 3.14Å; L346-L356 HydrophobicContact CD1-CD2 4.09Å
347	P	94.8	Very high	96.4	Very high	70 Å²	70	48.1 Å²	48.1	46%	0.455	23%	0.234	S	C	.	.			trans	-55	151.4	170.5	-26.1	34.5	0	0	0	112.9	N349 H350 K353	P347-N349 VanDerWaalsContact CB-OD1 3.31Å; P347-N349 WeakPolarHBondContact CB-OD1 3.26Å; P347-N349 PolarHBondContact O-N 2.68Å; P347-H350 HydrophobicContact CB-CB 4.34Å; P347-H350 WeakPolarHBondContact O-CB 3.26Å; P347-H350 PolarHBondContact O-N 2.86Å; P347-K353 WeakPolarHBondContact O-CD 3.39Å
348	D	92.9	Very high	96.3	Very high	141 Å²	141	52.7 Å²	52.7	75%	0.754	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.1	-177.1	-71.5	-29	0	0	0	113.9	H350 K353	D348-H350 VanDerWaalsContact C-N 3.31Å; D348-K353 IonicContact OD1-NZ 2.83Å; D348-K353 PolarHBondContact OD1-NZ 3.22Å
349	N	94.1	Very high	96.2	Very high	149 Å²	149	51.3 Å²	51.3	80%	0.797	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-2	175.8	65.4	-17.8	0	0	0	113.5	P347 R351	P347-N349 VanDerWaalsContact CB-OD1 3.31Å; P347-N349 WeakPolarHBondContact CB-OD1 3.26Å; P347-N349 PolarHBondContact O-N 2.68Å; N349-R351 PolarHBondContact O-N 3.17Å
350	H	95.4	Very high	96.1	Very high	32 Å²	32	51.2 Å²	51.2	15%	0.148	25%	0.247	C	C	.	.			trans	-68.9	122.2	-179.1	-167.3	-80.1	0	0	0	110.8	N197 L346 P347 D348 A352 K353	N197-H350 PolarHBondContact OD1-NE2 2.99Å; L346-H350 HydrophobicContact CB-CB 4.02Å; P347-H350 HydrophobicContact CB-CB 4.34Å; P347-H350 WeakPolarHBondContact O-CB 3.26Å; P347-H350 PolarHBondContact O-N 2.86Å; D348-H350 VanDerWaalsContact C-N 3.31Å; H350-A352 WeakPolarHBondContact ND1-CB 3.4Å; H350-A352 PolarHBondContact ND1-N 3.29Å; H350-A352 VanDerWaalsContact ND1-N 3.19Å; H350-A352 PolarHBondContact O-N 3.34Å; H350-K353 WeakPolarHBondContact O-CB 3.31Å; H350-K353 PolarHBondContact O-N 2.95Å
351	R	94.4	Very high	96	Very high	127 Å²	127	47.4 Å²	47.4	48%	0.479	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.3	-175	68.5	-173.4	-174.4	127.5	-5	114.3	N197 L199 N349	N197-R351 PolarHBondContact O-NH2 2.68Å; L199-R351 PolarHBondContact O-NE 3.27Å; L199-R351 PolarHBondContact O-NH1 3.04Å; L199-R351 PolarHBondContact O-NH2 3.33Å; N349-R351 PolarHBondContact O-N 3.17Å
352	A	95.5	Very high	95.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.5	-177.6	0	0	0	0	0	114.5	L199 Y210 L346 H350 K354 G355 L356	L199-A352 HydrophobicContact CB-CB 4.29Å; L199-A352 HydrophobicContact CD1-CB 3.84Å; Y210-A352 HydrophobicContact CE1-CB 4.06Å; Y210-A352 WeakPolarHBondContact CE1-O 3.3Å; Y210-A352 WeakPolarHBondContact OH-CA 3.32Å; L346-A352 HydrophobicContact CD1-CB 4.3Å; H350-A352 WeakPolarHBondContact ND1-CB 3.4Å; H350-A352 PolarHBondContact ND1-N 3.29Å; H350-A352 VanDerWaalsContact ND1-N 3.19Å; H350-A352 PolarHBondContact O-N 3.34Å; A352-K354 PolarHBondContact O-N 3.16Å; A352-G355 PolarHBondContact O-N 3.46Å; A352-L356 WeakPolarHBondContact O-CB 3.3Å; A352-L356 PolarHBondContact O-N 2.81Å
353	K	96.5	Very high	95.6	Very high	33 Å²	33	53.7 Å²	53.7	14%	0.143	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-51.2	-168.3	-177.6	168.5	-171.7	164.9	0	113.3	H343 L346 P347 D348 H350 L356 K357	H343-K353 HydrophobicContact CB-CG 4.43Å; H343-K353 WeakPolarHBondContact O-CE 3.39Å; L346-K353 HydrophobicContact CB-CB 4.18Å; L346-K353 HydrophobicContact CB-CD 4.37Å; L346-K353 HydrophobicContact CB-CG 4.37Å; L346-K353 HydrophobicContact CD1-CB 4.37Å; L346-K353 WeakPolarHBondContact O-CD 3.35Å; L346-K353 WeakPolarHBondContact O-CE 3.14Å; L346-K353 PolarHBondContact O-NZ 3.14Å; P347-K353 WeakPolarHBondContact O-CD 3.39Å; D348-K353 IonicContact OD1-NZ 2.83Å; D348-K353 PolarHBondContact OD1-NZ 3.22Å; H350-K353 WeakPolarHBondContact O-CB 3.31Å; H350-K353 PolarHBondContact O-N 2.95Å; K353-L356 PolarHBondContact O-N 3.18Å; K353-K357 PolarHBondContact O-N 2.95Å
354	K	95.3	Very high	95.5	Very high	172 Å²	172	53.1 Å²	53.1	75%	0.748	26%	0.255	S	S	*	.	H	α-helix	trans	-65.3	-40.6	-178.9	-66.3	-176.5	-179.2	179.2	0	112.3	A352 K358	A352-K354 PolarHBondContact O-N 3.16Å; K354-K358 WeakPolarHBondContact O-CG 3.27Å; K354-K358 PolarHBondContact O-N 3.15Å
355	G	95.7	Very high	95.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-44.8	178.1	0	0	0	0	0	112.5	A352 K357 K358 E359	A352-G355 PolarHBondContact O-N 3.46Å; G355-K357 PolarHBondContact O-N 3.26Å; G355-K358 PolarHBondContact O-N 2.86Å; G355-E359 PolarHBondContact O-N 2.79Å
356	L	97.1	Very high	94.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-40.8	178.1	-175.8	55.6	0	0	0	111.7	Y210 L213 I214 L342 H343 L346 A352 K353 K358 E359 V360	Y210-L356 HydrophobicContact CD1-CB 4.03Å; Y210-L356 HydrophobicContact CD1-CD1 4.42Å; Y210-L356 HydrophobicContact CE1-CB 4.16Å; L213-L356 HydrophobicContact CD2-CD1 3.67Å; L213-L356 HydrophobicContact CD2-CD2 3.75Å; L213-L356 HydrophobicContact CD2-CG 4.36Å; I214-L356 HydrophobicContact CD1-CD1 4.37Å; I214-L356 HydrophobicContact CG1-CD1 4.07Å; L342-L356 HydrophobicContact CB-CD2 3.94Å; L342-L356 HydrophobicContact CB-CG 4.39Å; H343-L356 HydrophobicContact CB-CB 4.18Å; H343-L356 HydrophobicContact CB-CD2 4.38Å; H343-L356 HydrophobicContact CB-CG 4.16Å; L346-L356 HydrophobicContact CD1-CD2 4.09Å; A352-L356 WeakPolarHBondContact O-CB 3.3Å; A352-L356 PolarHBondContact O-N 2.81Å; K353-L356 PolarHBondContact O-N 3.18Å; L356-K358 VanDerWaalsContact C-N 3.34Å; L356-K358 PolarHBondContact O-N 3.16Å; L356-E359 PolarHBondContact O-N 2.98Å; L356-V360 HydrophobicContact CD1-CG2 4.21Å; L356-V360 WeakPolarHBondContact O-CB 3.2Å; L356-V360 VanDerWaalsContact O-CG2 3.3Å; L356-V360 WeakPolarHBondContact O-CG2 3.4Å; L356-V360 PolarHBondContact O-N 3.29Å
357	K	97.3	Very high	94.8	Very high	45 Å²	45	57.4 Å²	57.4	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-53.7	-51.3	171.7	177.6	174.8	167.3	178	0	111.2	G131 E133 H343 K353 G355 V360 E361	G131-K357 WeakPolarHBondContact O-CE 3.3Å; G131-K357 PolarHBondContact O-NZ 3.38Å; E133-K357 IonicContact OE1-NZ 3.12Å; E133-K357 PolarHBondContact OE1-NZ 2.9Å; H343-K357 HydrophobicContact CB-CB 4.02Å; K353-K357 PolarHBondContact O-N 2.95Å; G355-K357 PolarHBondContact O-N 3.26Å; K357-V360 PolarHBondContact O-N 3.41Å; K357-E361 WeakPolarHBondContact CE-OE1 3.35Å; K357-E361 VanDerWaalsContact CG-OE1 3.3Å; K357-E361 WeakPolarHBondContact CG-OE1 3.22Å; K357-E361 WeakPolarHBondContact O-CG 3.33Å; K357-E361 PolarHBondContact O-N 2.85Å
358	K	95.4	Very high	94.7	Very high	115 Å²	115	54 Å²	54	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-43.2	-178.3	-71.3	-140.1	177.6	-167.4	0	113.4	Y202 K354 G355 L356 E361 Q362	Y202-K358 HydrophobicContact CE1-CD 4.28Å; K354-K358 WeakPolarHBondContact O-CG 3.27Å; K354-K358 PolarHBondContact O-N 3.15Å; G355-K358 PolarHBondContact O-N 2.86Å; L356-K358 VanDerWaalsContact C-N 3.34Å; L356-K358 PolarHBondContact O-N 3.16Å; K358-E361 PolarHBondContact O-N 2.97Å; K358-Q362 WeakPolarHBondContact O-CB 3.21Å; K358-Q362 VanDerWaalsContact O-CG 3.32Å; K358-Q362 WeakPolarHBondContact O-CG 3.45Å; K358-Q362 PolarHBondContact O-N 2.99Å
359	E	95.8	Very high	94.6	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-70.7	-33.3	179.9	-68.3	-63.7	133.7	0	0	112	Y202 A207 Y210 R211 I214 G355 L356 Q362 Y363	Y202-E359 HydrophobicContact CE2-CG 3.89Å; Y202-E359 WeakPolarHBondContact CE2-OE1 3.5Å; Y202-E359 PolarHBondContact OH-OE1 3.46Å; A207-E359 VanDerWaalsContact CB-CD 3.4Å; A207-E359 HydrophobicContact CB-CG 4.01Å; A207-E359 WeakPolarHBondContact CB-OE1 3.19Å; Y210-E359 HydrophobicContact CG-CG 4.4Å; R211-E359 WeakPolarHBondContact CG-OE2 3.28Å; R211-E359 IonicContact CZ-OE2 2.85Å; R211-E359 IonicContact NE-OE2 3.35Å; R211-E359 PolarHBondContact NE-OE2 3.03Å; R211-E359 IonicContact NH2-OE2 3.54Å; R211-E359 PolarHBondContact NH2-OE2 2.85Å; I214-E359 HydrophobicContact CD1-CB 3.67Å; G355-E359 PolarHBondContact O-N 2.79Å; L356-E359 PolarHBondContact O-N 2.98Å; E359-Q362 PolarHBondContact O-N 3.46Å; E359-Q362 PolarHBondContact OE1-OE1 3.08Å; E359-Y363 VanDerWaalsContact O-CB 3.25Å; E359-Y363 WeakPolarHBondContact O-CB 3.03Å; E359-Y363 PolarHBondContact O-N 2.87Å
360	V	97.2	Very high	94.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.2	-46.8	171.5	169	0	0	0	0	111	L132 I214 T219 L356 K357 Q362 Y363 I364	L132-V360 HydrophobicContact CD1-CG1 4.32Å; L132-V360 HydrophobicContact CD2-CG1 3.9Å; I214-V360 HydrophobicContact CD1-CG2 3.81Å; I214-V360 HydrophobicContact CG1-CG2 4Å; T219-V360 HydrophobicContact CG2-CG1 4.23Å; L356-V360 HydrophobicContact CD1-CG2 4.21Å; L356-V360 WeakPolarHBondContact O-CB 3.2Å; L356-V360 VanDerWaalsContact O-CG2 3.3Å; L356-V360 WeakPolarHBondContact O-CG2 3.4Å; L356-V360 PolarHBondContact O-N 3.29Å; K357-V360 PolarHBondContact O-N 3.41Å; V360-Q362 VanDerWaalsContact C-N 3.35Å; V360-Q362 PolarHBondContact O-N 3.42Å; V360-Y363 PolarHBondContact O-N 3.44Å; V360-I364 HydrophobicContact CG1-CD1 3.75Å; V360-I364 VanDerWaalsContact O-CG1 3.32Å; V360-I364 WeakPolarHBondContact O-CG1 3.43Å; V360-I364 PolarHBondContact O-N 3.15Å
361	E	95.1	Very high	93.9	Very high	17 Å²	17	41.3 Å²	41.3	8%	0.079	18%	0.18	C	C	.	.	H	α-helix	trans	-58.2	-46.8	175.6	-71.1	162.6	175.9	0	0	111.5	L132 E133 K357 K358 I364 L365	L132-E361 HydrophobicContact CB-CG 4.17Å; L132-E361 HydrophobicContact CD2-CG 3.97Å; E133-E361 PolarHBondContact N-OE1 3.01Å; K357-E361 WeakPolarHBondContact CE-OE1 3.35Å; K357-E361 VanDerWaalsContact CG-OE1 3.3Å; K357-E361 WeakPolarHBondContact CG-OE1 3.22Å; K357-E361 WeakPolarHBondContact O-CG 3.33Å; K357-E361 PolarHBondContact O-N 2.85Å; K358-E361 PolarHBondContact O-N 2.97Å; E361-I364 PolarHBondContact O-N 2.68Å; E361-L365 WeakPolarHBondContact O-CB 3.32Å; E361-L365 VanDerWaalsContact O-CG 3.29Å; E361-L365 WeakPolarHBondContact O-CG 3.47Å; E361-L365 PolarHBondContact O-N 3.25Å
362	Q	92.7	Very high	93.6	Very high	80 Å²	80	39.1 Å²	39.1	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-41.9	178.3	-74.9	-177	14.9	0	0	112.5	K358 E359 V360 L365 K366	K358-Q362 WeakPolarHBondContact O-CB 3.21Å; K358-Q362 VanDerWaalsContact O-CG 3.32Å; K358-Q362 WeakPolarHBondContact O-CG 3.45Å; K358-Q362 PolarHBondContact O-N 2.99Å; E359-Q362 PolarHBondContact O-N 3.46Å; E359-Q362 PolarHBondContact OE1-OE1 3.08Å; V360-Q362 VanDerWaalsContact C-N 3.35Å; V360-Q362 PolarHBondContact O-N 3.42Å; Q362-L365 PolarHBondContact O-N 2.95Å; Q362-K366 WeakPolarHBondContact O-CB 3.18Å; Q362-K366 PolarHBondContact O-N 3.38Å
363	Y	95.2	Very high	93.3	Very high	54 Å²	54	40.7 Å²	40.7	21%	0.212	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-48.1	177.7	177.9	-92.5	0	0	0	111.1	D49 V51 I214 T219 E359 V360 K366 N367	D49-Y363 WeakPolarHBondContact OD1-CE1 3.37Å; D49-Y363 PolarHBondContact OD2-OH 3.11Å; V51-Y363 HydrophobicContact CB-CE1 3.86Å; V51-Y363 HydrophobicContact CG2-CD1 3.93Å; V51-Y363 HydrophobicContact CG2-CE1 3.57Å; I214-Y363 HydrophobicContact CG2-CD1 4.37Å; I214-Y363 HydrophobicContact CG2-CD2 4.22Å; I214-Y363 HydrophobicContact CG2-CE2 4.49Å; I214-Y363 HydrophobicContact CG2-CG 4.16Å; T219-Y363 HydrophobicContact CG2-CD1 3.39Å; T219-Y363 HydrophobicContact CG2-CE1 3.73Å; T219-Y363 HydrophobicContact CG2-CG 4.31Å; E359-Y363 VanDerWaalsContact O-CB 3.25Å; E359-Y363 WeakPolarHBondContact O-CB 3.03Å; E359-Y363 PolarHBondContact O-N 2.87Å; V360-Y363 PolarHBondContact O-N 3.44Å; Y363-K366 PolarHBondContact O-N 2.61Å; Y363-N367 PolarHBondContact O-N 2.65Å; Y363-N367 PolarHBondContact O-ND2 3.24Å
364	I	95	Very high	92.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-47	178.9	-65.5	165	0	0	0	110.5	I50 V51 W128 L132 I134 L146 T219 V360 E361 K366 N367 A368	I50-I364 HydrophobicContact CG2-CD1 3.82Å; I50-I364 HydrophobicContact CG2-CG1 3.81Å; V51-I364 HydrophobicContact CG2-CG1 4.29Å; W128-I364 HydrophobicContact CH2-CG2 4.16Å; W128-I364 HydrophobicContact CZ3-CD1 3.98Å; W128-I364 HydrophobicContact CZ3-CG2 4.44Å; L132-I364 HydrophobicContact CD1-CD1 3.85Å; I134-I364 HydrophobicContact CD1-CG2 4.01Å; L146-I364 HydrophobicContact CB-CG2 4.33Å; T219-I364 HydrophobicContact CG2-CD1 4.44Å; T219-I364 HydrophobicContact CG2-CG1 4.19Å; V360-I364 HydrophobicContact CG1-CD1 3.75Å; V360-I364 VanDerWaalsContact O-CG1 3.32Å; V360-I364 WeakPolarHBondContact O-CG1 3.43Å; V360-I364 PolarHBondContact O-N 3.15Å; E361-I364 PolarHBondContact O-N 2.68Å; I364-K366 VanDerWaalsContact C-N 3.34Å; I364-K366 PolarHBondContact O-N 2.83Å; I364-N367 CarbonylContact O-C 3.43Å; I364-N367 PolarHBondContact O-N 2.05Å; I364-A368 WeakPolarHBondContact O-CB 3.17Å; I364-A368 PolarHBondContact O-N 3.04Å
365	L	91.3	Very high	92.2	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.089	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-38.2	178.7	-77	169	0	0	0	112.9	I134 E361 Q362 N367 A368 L554	I134-L365 HydrophobicContact CG2-CD2 3.56Å; I134-L365 HydrophobicContact CG2-CG 4.09Å; E361-L365 WeakPolarHBondContact O-CB 3.32Å; E361-L365 VanDerWaalsContact O-CG 3.29Å; E361-L365 WeakPolarHBondContact O-CG 3.47Å; E361-L365 PolarHBondContact O-N 3.25Å; Q362-L365 PolarHBondContact O-N 2.95Å; L365-N367 VanDerWaalsContact C-N 3.28Å; L365-N367 PolarHBondContact O-N 3.31Å; L365-A368 PolarHBondContact O-N 3.47Å; L365-L554 WeakPolarHBondContact O-CB 3.22Å
366	K	90.9	Very high	91.8	Very high	124 Å²	124	38.7 Å²	38.7	54%	0.539	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-37.7	178.7	-174.8	-175.7	175.5	-169.9	0	111.3	Q362 Y363 I364 G555 M558	Q362-K366 WeakPolarHBondContact O-CB 3.18Å; Q362-K366 PolarHBondContact O-N 3.38Å; Y363-K366 PolarHBondContact O-N 2.61Å; I364-K366 VanDerWaalsContact C-N 3.34Å; I364-K366 PolarHBondContact O-N 2.83Å; K366-G555 WeakPolarHBondContact O-CA 3.35Å; K366-G555 PolarHBondContact O-N 3.17Å; K366-G555 VanDerWaalsContact O-N 3.07Å; K366-M558 HydrophobicContact CB-CE 4.32Å
367	N	93.6	Very high	91.3	Very high	25 Å²	25	40 Å²	40	13%	0.134	20%	0.198	C	C	.	.	H	α-helix	trans	-93.8	0.7	-177.9	-65.3	-53.1	0	0	0	113.9	V51 S149 Y363 I364 L365	V51-N367 HydrophobicContact CB-CB 4.42Å; V51-N367 HydrophobicContact CG1-CB 3.47Å; V51-N367 VanDerWaalsContact CG1-CB 3.47Å; V51-N367 HydrophobicContact CG2-CB 4.03Å; S149-N367 VanDerWaalsContact CB-O 3.27Å; S149-N367 WeakPolarHBondContact CB-O 3.05Å; S149-N367 PolarHBondContact OG-O 2.85Å; Y363-N367 PolarHBondContact O-N 2.65Å; Y363-N367 PolarHBondContact O-ND2 3.24Å; I364-N367 CarbonylContact O-C 3.43Å; I364-N367 PolarHBondContact O-N 2.05Å; L365-N367 VanDerWaalsContact C-N 3.28Å; L365-N367 PolarHBondContact O-N 3.31Å
368	A	91.4	Very high	90.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.			trans	-70.1	138.5	178.5	0	0	0	0	0	111.6	V144 G145 L146 I364 L365 L553 L554	V144-A368 HydrophobicContact CG1-CB 4.24Å; G145-A368 WeakPolarHBondContact O-CA 3.42Å; L146-A368 HydrophobicContact CD2-CB 3.82Å; I364-A368 WeakPolarHBondContact O-CB 3.17Å; I364-A368 PolarHBondContact O-N 3.04Å; L365-A368 PolarHBondContact O-N 3.47Å; A368-L553 WeakPolarHBondContact O-CA 3.43Å; A368-L554 HydrophobicContact CB-CB 4.34Å; A368-L554 HydrophobicContact CB-CD1 3.77Å; A368-L554 PolarHBondContact O-N 3.33Å
369	V	91.1	Very high	90.3	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.6	178	174.8	0	0	0	0	108.8	V144 G145 M158 Y547 T548 L553	V144-V369 CarbonylContact C-O 3.57Å; V144-V369 WeakPolarHBondContact CA-O 3.33Å; G145-V369 PolarHBondContact N-O 3.08Å; G145-V369 PolarHBondContact O-N 2.83Å; M158-V369 HydrophobicContact CE-CG2 4.18Å; V369-Y547 HydrophobicContact CG2-CD1 3.59Å; V369-Y547 HydrophobicContact CG2-CE1 3.95Å; V369-T548 HydrophobicContact CG1-CG2 3.96Å; V369-L553 HydrophobicContact CG2-CD2 3.95Å
370	L	87.9	Confident	90	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.4	175.2	171.3	66.7	0	0	0	109.9	V140 V144 K372 G551 V552 L554	V140-L370 HydrophobicContact CG1-CD1 3.43Å; V140-L370 VanDerWaalsContact CG1-CD1 3.43Å; V144-L370 HydrophobicContact CG2-CD1 3.58Å; L370-K372 PolarHBondContact O-N 3.23Å; L370-G551 CarbonylContact O-C 3.58Å; L370-G551 WeakPolarHBondContact O-CA 3.48Å; L370-V552 HydrophobicContact CB-CG2 4.19Å; L370-V552 HydrophobicContact CD2-CG2 4.4Å; L370-V552 PolarHBondContact N-O 3.05Å; L370-V552 PolarHBondContact O-N 3.43Å; L370-L554 HydrophobicContact CB-CD1 4.46Å; L370-L554 HydrophobicContact CB-CD2 4.3Å; L370-L554 HydrophobicContact CB-CG 3.95Å; L370-L554 HydrophobicContact CD2-CD2 4.03Å
371	K	87.1	Confident	89.7	Confident	37 Å²	37	49.5 Å²	49.5	16%	0.161	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	117.9	173.8	-169.5	159.1	-170.4	148.9	0	110.8	E114 G143 D387 N550	E114-K371 HydrophobicContact CB-CD 4.37Å; E114-K371 HydrophobicContact CG-CG 4.45Å; G143-K371 VanDerWaalsContact O-CB 3.22Å; G143-K371 WeakPolarHBondContact O-CB 3.48Å; G143-K371 PolarHBondContact O-N 2.78Å; K371-D387 WeakPolarHBondContact CE-OD1 3.29Å; K371-D387 IonicContact NZ-OD1 2.63Å; K371-D387 PolarHBondContact NZ-OD1 2.04Å; K371-D387 IonicContact NZ-OD2 2.69Å; K371-D387 PolarHBondContact NZ-OD2 3.03Å; K371-D387 VanDerWaalsContact NZ-OD2 3.14Å; K371-N550 CarbonylContact C-O 3.51Å; K371-N550 VanDerWaalsContact CA-O 3.3Å; K371-N550 WeakPolarHBondContact CA-O 3Å
372	K	87.9	Confident	89.3	Confident	81 Å²	81	54 Å²	54	35%	0.352	27%	0.274	S	S	.	.			trans	-140.6	122.3	174.7	-178.6	-174.6	176.6	-167.3	0	106.7	L370 S374 E545 F546 N550 V552	L370-K372 PolarHBondContact O-N 3.23Å; K372-S374 PolarHBondContact O-N 3.48Å; K372-E545 IonicContact NZ-OE1 3.33Å; K372-E545 PolarHBondContact NZ-OE1 3.34Å; K372-F546 HydrophobicContact CB-CE1 4.01Å; K372-F546 HydrophobicContact CD-CE1 4.05Å; K372-F546 HydrophobicContact CD-CZ 3.95Å; K372-F546 HydrophobicContact CG-CE1 3.99Å; K372-F546 HydrophobicContact CG-CZ 4.15Å; K372-F546 WeakPolarHBondContact O-CE1 3.19Å; K372-N550 CarbonylContact C-O 3.55Å; K372-N550 PolarHBondContact N-O 2.66Å; K372-N550 CarbonylContact O-C 3.6Å; K372-N550 WeakPolarHBondContact O-CA 3.28Å; K372-V552 HydrophobicContact CB-CG1 4.34Å; K372-V552 HydrophobicContact CB-CG2 4.17Å; K372-V552 HydrophobicContact CD-CG1 3.92Å; K372-V552 HydrophobicContact CD-CG2 4.23Å
373	C	88.9	Confident	88.9	Confident	33 Å²	33	53.4 Å²	53.4	22%	0.223	28%	0.278	C	S	.	.			trans	-72.7	123.2	-177.6	-45	0	0	0	0	109.7	R382 C389	C373-R382 VanDerWaalsContact CB-CZ 3.4Å; C373-C389 WeakPolarHBondContact CA-SG 3.3Å; C373-C389 HydrophobicContact CB-CB 3.75Å; C373-C389 WeakPolarHBondContact CB-SG 3.05Å; C373-C389 PolarHBondContact N-SG 3.23Å; C373-C389 WeakPolarHBondContact SG-CA 3.26Å; C373-C389 WeakPolarHBondContact SG-CB 3.48Å; C373-C389 CovalentContact SG-SG 2.05Å; C373-C389 PolarHBondContact SG-SG 2.92Å
374	S	86.4	Confident	88.1	Confident	20 Å²	20	53.2 Å²	53.2	14%	0.14	28%	0.28	C	S	.	.			trans	-70.2	-41.8	-175.3	48	0	0	0	0	113	K372 R549 N550	K372-S374 PolarHBondContact O-N 3.48Å; S374-R549 WeakPolarHBondContact CB-O 3.34Å; S374-R549 PolarHBondContact OG-O 2.96Å; S374-N550 PolarHBondContact OG-OD1 3.23Å
375	E	83.9	Confident	87.2	Confident	56 Å²	56	62.9 Å²	62.9	26%	0.262	32%	0.323	S	S	.	.	S	Bend	trans	-129.8	148	-172.6	-65.1	172.1	171.8	0	0	111.3	R382 L542	E375-R382 PolarHBondContact O-NH2 3.19Å; E375-L542 HydrophobicContact CG-CD1 3.77Å
376	S	86.6	Confident	86.4	Confident	87 Å²	87	72.6 Å²	72.6	61%	0.608	36%	0.358	S	S	*	.			trans	-67.4	154.2	166.5	53	0	0	0	0	111	Q378	S376-Q378 PolarHBondContact O-N 2.05Å
377	C	87.3	Confident	85.9	Confident	27 Å²	27	67 Å²	67	18%	0.182	33%	0.334	C	S	.	.			trans	-64.8	118	174.1	-64.6	0	0	0	0	110.3	I379 C391	C377-I379 WeakPolarHBondContact CB-O 3.07Å; C377-C391 WeakPolarHBondContact CA-SG 3.3Å; C377-C391 HydrophobicContact CB-CB 3.84Å; C377-C391 WeakPolarHBondContact CB-SG 3.39Å; C377-C391 WeakPolarHBondContact SG-CA 3.04Å; C377-C391 WeakPolarHBondContact SG-CB 3.3Å; C377-C391 CovalentContact SG-SG 2.04Å; C377-C391 PolarHBondContact SG-SG 3.15Å
378	Q	84.3	Confident	85.5	Confident	167 Å²	167	68.8 Å²	68.8	78%	0.78	35%	0.347	S	S	*	.	S	Bend	trans	-64.1	-36.1	171.3	-64.1	-61.7	-31.9	0	0	111	S376	S376-Q378 PolarHBondContact O-N 2.05Å
379	I	86.3	Confident	85.4	Confident	64 Å²	64	69.3 Å²	69.3	33%	0.328	35%	0.351	S	S	.	.	S	Bend	trans	-135.9	146.1	175.1	58.1	176.8	0	0	0	109.4	C377 V399 C403 P523	C377-I379 WeakPolarHBondContact CB-O 3.07Å; I379-V399 HydrophobicContact CD1-CG1 4.49Å; I379-C403 HydrophobicContact CD1-CB 3.87Å; I379-C403 HydrophobicContact CG1-CB 3.95Å; I379-P523 HydrophobicContact CD1-CB 3.57Å; I379-P523 HydrophobicContact CD1-CG 3.37Å
380	G	89.6	Confident	85.3	Confident	40 Å²	40	70.3 Å²	70.3	41%	0.412	36%	0.359	S	S	.	.	S	Bend	trans	76.8	-162.3	-176.9	0	0	0	0	0	112.9	V392 C393	G380-V392 CarbonylContact C-O 3.38Å; G380-V392 WeakPolarHBondContact CA-O 3.42Å; G380-C393 VanDerWaalsContact CA-SG 3.58Å
381	H	90.8	Very high	85.4	Confident	92 Å²	92	71 Å²	71	43%	0.426	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.2	-176.1	61.9	-79.1	0	0	0	110.8	S383 V392	H381-S383 PolarHBondContact CD2-OG 3.33Å; H381-S383 PolarHBondContact NE2-OG 3.3Å; H381-S383 PolarHBondContact O-N 2.83Å; H381-V392 PolarHBondContact N-O 3.17Å; H381-V392 PolarHBondContact ND1-O 3.44Å; H381-V392 PolarHBondContact O-N 3.31Å
382	R	87.8	Confident	85.6	Confident	113 Å²	113	71 Å²	71	43%	0.426	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	108.9	176.3	-64.5	177.5	-176.6	167.1	3.2	109.5	C373 E375 P388	C373-R382 VanDerWaalsContact CB-CZ 3.4Å; E375-R382 PolarHBondContact O-NH2 3.19Å; R382-P388 WeakPolarHBondContact CD-O 3.38Å
383	S	83.2	Confident	85.9	Confident	66 Å²	66	67.8 Å²	67.8	46%	0.462	36%	0.356	S	S	.	.			trans	-138.5	-1.4	176.1	50.6	0	0	0	0	113.2	H381 K385	H381-S383 PolarHBondContact CD2-OG 3.33Å; H381-S383 PolarHBondContact NE2-OG 3.3Å; H381-S383 PolarHBondContact O-N 2.83Å; S383-K385 PolarHBondContact O-N 2.81Å
384	N	78.8	Confident	85.9	Confident	50 Å²	50	72.8 Å²	72.8	27%	0.267	38%	0.38	S	S	.	.			trans	-75.2	122	-178.5	-175.5	-13.5	0	0	0	110.5	R386 D387 A390 V392	N384-R386 WeakPolarHBondContact OD1-CB 3.5Å; N384-R386 PolarHBondContact OD1-N 3.21Å; N384-D387 WeakPolarHBondContact CB-O 3.44Å; N384-D387 CarbonylContact O-C 3.58Å; N384-D387 PolarHBondContact OD1-N 2.88Å; N384-A390 HydrophobicContact CB-CB 4.23Å; N384-V392 HydrophobicContact CB-CG2 3.98Å
385	K	76.3	Confident	86.1	Confident	204 Å²	204	75.6 Å²	75.6	89%	0.887	40%	0.4	S	S	*	.	S	Bend	trans	-73.3	-30.7	178.4	-64.7	-173.1	178.8	-177.5	0	113.2	S383	S383-K385 PolarHBondContact O-N 2.81Å
386	R	73.5	Confident	86.3	Confident	220 Å²	220	77 Å²	77	83%	0.83	41%	0.409	S	S	*	.	S	Bend	trans	-79.4	-39.1	-179.1	-66.1	-176.6	-179.4	172	-0.3	111.6	N384	N384-R386 WeakPolarHBondContact OD1-CB 3.5Å; N384-R386 PolarHBondContact OD1-N 3.21Å
387	D	81.7	Confident	86.4	Confident	7 Å²	7	80.2 Å²	80.2	4%	0.037	41%	0.412	C	S	.	.			trans	-127.7	98.5	173.8	-172.3	-19.3	0	0	0	110.9	S112 K371 N384 C389 A390	S112-D387 WeakPolarHBondContact CB-OD2 3.36Å; K371-D387 WeakPolarHBondContact CE-OD1 3.29Å; K371-D387 IonicContact NZ-OD1 2.63Å; K371-D387 PolarHBondContact NZ-OD1 2.04Å; K371-D387 IonicContact NZ-OD2 2.69Å; K371-D387 PolarHBondContact NZ-OD2 3.03Å; K371-D387 VanDerWaalsContact NZ-OD2 3.14Å; N384-D387 WeakPolarHBondContact CB-O 3.44Å; N384-D387 CarbonylContact O-C 3.58Å; N384-D387 PolarHBondContact OD1-N 2.88Å; D387-C389 PolarHBondContact O-N 3.47Å; D387-C389 VanDerWaalsContact O-N 3.08Å; D387-C389 WeakPolarHBondContact OD1-CA 3.04Å; D387-C389 WeakPolarHBondContact OD1-CB 3.49Å; D387-C389 PolarHBondContact OD1-N 2.81Å; D387-A390 HydrophobicContact CB-CB 3.78Å; D387-A390 WeakPolarHBondContact O-CB 3.37Å; D387-A390 PolarHBondContact O-N 2.98Å; D387-A390 PolarHBondContact OD1-N 3.48Å
388	P	85.4	Confident	86.4	Confident	62 Å²	62	79.4 Å²	79.4	40%	0.403	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.5	178.8	-25.6	35	0	0	0	115.1	R382	R382-P388 WeakPolarHBondContact CD-O 3.38Å
389	C	88.5	Confident	86.9	Confident	12 Å²	12	72.1 Å²	72.1	8%	0.081	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8	178.8	-59.8	0	0	0	0	113.1	C373 D387 N550	C373-C389 WeakPolarHBondContact CA-SG 3.3Å; C373-C389 HydrophobicContact CB-CB 3.75Å; C373-C389 WeakPolarHBondContact CB-SG 3.05Å; C373-C389 PolarHBondContact N-SG 3.23Å; C373-C389 WeakPolarHBondContact SG-CA 3.26Å; C373-C389 WeakPolarHBondContact SG-CB 3.48Å; C373-C389 CovalentContact SG-SG 2.05Å; C373-C389 PolarHBondContact SG-SG 2.92Å; D387-C389 PolarHBondContact O-N 3.47Å; D387-C389 VanDerWaalsContact O-N 3.08Å; D387-C389 WeakPolarHBondContact OD1-CA 3.04Å; D387-C389 WeakPolarHBondContact OD1-CB 3.49Å; D387-C389 PolarHBondContact OD1-N 2.81Å; C389-N550 HydrophobicContact CB-CB 4.02Å
390	A	88.6	Confident	87.3	Confident	24 Å²	24	73.7 Å²	73.7	20%	0.198	38%	0.377	C	S	.	.			trans	-72.1	133.7	175.9	0	0	0	0	0	111.3	N384 D387	N384-A390 HydrophobicContact CB-CB 4.23Å; D387-A390 HydrophobicContact CB-CB 3.78Å; D387-A390 WeakPolarHBondContact O-CB 3.37Å; D387-A390 PolarHBondContact O-N 2.98Å; D387-A390 PolarHBondContact OD1-N 3.48Å
391	C	90.5	Very high	87.4	Confident	28 Å²	28	74.4 Å²	74.4	19%	0.189	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130	172.4	-59.2	0	0	0	0	110.1	C377 C403	C377-C391 WeakPolarHBondContact CA-SG 3.3Å; C377-C391 HydrophobicContact CB-CB 3.84Å; C377-C391 WeakPolarHBondContact CB-SG 3.39Å; C377-C391 WeakPolarHBondContact SG-CA 3.04Å; C377-C391 WeakPolarHBondContact SG-CB 3.3Å; C377-C391 CovalentContact SG-SG 2.04Å; C377-C391 PolarHBondContact SG-SG 3.15Å; C391-C403 PolarHBondContact O-SG 3.11Å
392	V	92	Very high	87.4	Confident	39 Å²	39	72.2 Å²	72.2	24%	0.236	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.9	177.8	-176.6	0	0	0	0	109	G380 H381 N384 A401 C403	G380-V392 CarbonylContact C-O 3.38Å; G380-V392 WeakPolarHBondContact CA-O 3.42Å; H381-V392 PolarHBondContact N-O 3.17Å; H381-V392 PolarHBondContact ND1-O 3.44Å; H381-V392 PolarHBondContact O-N 3.31Å; N384-V392 HydrophobicContact CB-CG2 3.98Å; V392-A401 WeakPolarHBondContact CA-O 3.34Å; V392-C403 VanDerWaalsContact C-SG 3.53Å
393	C	92.4	Very high	87.7	Confident	13 Å²	13	67 Å²	67	9%	0.088	35%	0.351	C	S	.	.			trans	-114.1	147.6	-178.8	-74.4	0	0	0	0	111.5	G380 S395 V399 A401 C403	G380-C393 VanDerWaalsContact CA-SG 3.58Å; C393-S395 PolarHBondContact O-N 2.94Å; C393-V399 HydrophobicContact CB-CG1 4.03Å; C393-A401 PolarHBondContact N-O 3.37Å; C393-A401 WeakPolarHBondContact O-CA 3.31Å; C393-C403 HydrophobicContact CB-CB 4Å; C393-C403 WeakPolarHBondContact CB-SG 3.48Å; C393-C403 PolarHBondContact N-SG 3.06Å; C393-C403 WeakPolarHBondContact SG-CA 3.27Å; C393-C403 WeakPolarHBondContact SG-CB 3.29Å; C393-C403 CovalentContact SG-SG 2.04Å; C393-C403 PolarHBondContact SG-SG 3.48Å
394	N	90.9	Very high	88.2	Confident	137 Å²	137	63.8 Å²	63.8	73%	0.733	33%	0.329	S	S	*	.			trans	-70.6	120.4	166.7	-69.4	-19.3	0	0	0	108.2	N396	N394-N396 PolarHBondContact O-N 3.45Å
395	S	89.3	Confident	89	Confident	79 Å²	79	61.4 Å²	61.4	55%	0.552	32%	0.316	S	S	*	.			trans	-64.6	132.6	-177.1	-68	0	0	0	0	110.7	C393 V399 A401	C393-S395 PolarHBondContact O-N 2.94Å; S395-V399 CarbonylContact C-O 3.59Å; S395-V399 WeakPolarHBondContact CA-O 3.23Å; S395-A401 PolarHBondContact OG-N 2.95Å
396	N	88.9	Confident	89.8	Confident	87 Å²	87	52.9 Å²	52.9	47%	0.465	29%	0.286	S	S	.	.			trans	-139.1	-170	172.8	66.5	33.6	0	0	0	109.5	N394 N398 V399	N394-N396 PolarHBondContact O-N 3.45Å; N396-N398 VanDerWaalsContact C-N 3.28Å; N396-N398 PolarHBondContact O-N 3.13Å; N396-N398 WeakPolarHBondContact OD1-CA 3.09Å; N396-N398 PolarHBondContact OD1-N 2.97Å; N396-V399 PolarHBondContact N-O 3.28Å; N396-V399 VanDerWaalsContact O-O 3.12Å; N396-V399 PolarHBondContact OD1-N 3.24Å
397	K	87.4	Confident	90.8	Very high	154 Å²	154	43.2 Å²	43.2	67%	0.67	26%	0.255	S	S	*	.	S	Bend	trans	-62.1	-33.8	179.1	-76.4	-175.4	-179.6	-176.9	0	113	L410 P465	K397-L410 WeakPolarHBondContact O-CD1 3.5Å; K397-L410 WeakPolarHBondContact O-CD2 3.34Å; K397-P465 HydrophobicContact CB-CB 3.44Å; K397-P465 VanDerWaalsContact CB-CB 3.44Å; K397-P465 HydrophobicContact CB-CG 4.15Å; K397-P465 HydrophobicContact CD-CB 4.17Å; K397-P465 HydrophobicContact CG-CB 4.38Å
398	N	88.6	Confident	91.4	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.053	27%	0.274	C	S	.	.	S	Bend	trans	-85.8	-39.5	-178.1	-76.8	-8.3	0	0	0	112.9	N396 P405 G406 L410 A411 T412 P465 A522	N396-N398 VanDerWaalsContact C-N 3.28Å; N396-N398 PolarHBondContact O-N 3.13Å; N396-N398 WeakPolarHBondContact OD1-CA 3.09Å; N396-N398 PolarHBondContact OD1-N 2.97Å; N398-P405 VanDerWaalsContact O-CA 3.29Å; N398-P405 WeakPolarHBondContact O-CA 3.35Å; N398-G406 PolarHBondContact O-N 2.93Å; N398-L410 WeakPolarHBondContact O-CD1 3.27Å; N398-A411 PolarHBondContact ND2-O 3.08Å; N398-A411 PolarHBondContact OD1-O 3.49Å; N398-T412 PolarHBondContact ND2-OG1 3.47Å; N398-P465 WeakPolarHBondContact OD1-CB 3.18Å; N398-A522 HydrophobicContact CB-CB 3.94Å
399	V	93.4	Very high	91.8	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.079	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-130.8	141.5	-166.2	-177.2	0	0	0	0	111.5	I379 C393 S395 N396 C404 P523	I379-V399 HydrophobicContact CD1-CG1 4.49Å; C393-V399 HydrophobicContact CB-CG1 4.03Å; S395-V399 CarbonylContact C-O 3.59Å; S395-V399 WeakPolarHBondContact CA-O 3.23Å; N396-V399 PolarHBondContact N-O 3.28Å; N396-V399 VanDerWaalsContact O-O 3.12Å; N396-V399 PolarHBondContact OD1-N 3.24Å; V399-C404 WeakPolarHBondContact CA-O 3.25Å; V399-P523 HydrophobicContact CG2-CG 3.83Å
400	K	94.4	Very high	92.2	Very high	98 Å²	98	45 Å²	45	43%	0.426	26%	0.255	S	S	.	.			trans	-94.7	176.4	175.7	-61.7	-63.3	-173.5	-178.8	0	112.2	T243 N402 C403 C404	T243-K400 HydrophobicContact CG2-CB 4.27Å; T243-K400 HydrophobicContact CG2-CG 3.94Å; K400-N402 WeakPolarHBondContact CB-OD1 3.01Å; K400-N402 PolarHBondContact O-N 2.85Å; K400-N402 VanDerWaalsContact O-N 3.16Å; K400-C403 WeakPolarHBondContact O-CA 3.41Å; K400-C403 PolarHBondContact O-N 3.34Å; K400-C404 PolarHBondContact N-O 3.47Å
401	A	91.9	Very high	92.5	Very high	54 Å²	54	43.8 Å²	43.8	45%	0.446	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.2	-176.6	0	0	0	0	0	114.4	V392 C393 S395 C403	V392-A401 WeakPolarHBondContact CA-O 3.34Å; C393-A401 PolarHBondContact N-O 3.37Å; C393-A401 WeakPolarHBondContact O-CA 3.31Å; S395-A401 PolarHBondContact OG-N 2.95Å; A401-C403 PolarHBondContact O-N 3.21Å
402	N	91.6	Very high	92.7	Very high	46 Å²	46	44.1 Å²	44.1	25%	0.246	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	11.2	175.9	64.8	-11.6	0	0	0	113.9	R165 T243 K400 C404	R165-N402 PolarHBondContact NH1-O 2.82Å; R165-N402 VanDerWaalsContact NH1-O 3.15Å; R165-N402 PolarHBondContact NH2-O 2.95Å; T243-N402 PolarHBondContact OG1-ND2 3.05Å; K400-N402 WeakPolarHBondContact CB-OD1 3.01Å; K400-N402 PolarHBondContact O-N 2.85Å; K400-N402 VanDerWaalsContact O-N 3.16Å; N402-C404 PolarHBondContact O-N 3.07Å; N402-C404 WeakPolarHBondContact OD1-CB 3.34Å; N402-C404 PolarHBondContact OD1-N 2.99Å
403	C	93.3	Very high	93	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.02	24%	0.236	C	C	.	.	S	Bend	trans	63	18.7	-176.5	-59.6	0	0	0	0	114.7	I379 C391 V392 C393 K400 A401	I379-C403 HydrophobicContact CD1-CB 3.87Å; I379-C403 HydrophobicContact CG1-CB 3.95Å; C391-C403 PolarHBondContact O-SG 3.11Å; V392-C403 VanDerWaalsContact C-SG 3.53Å; C393-C403 HydrophobicContact CB-CB 4Å; C393-C403 WeakPolarHBondContact CB-SG 3.48Å; C393-C403 PolarHBondContact N-SG 3.06Å; C393-C403 WeakPolarHBondContact SG-CA 3.27Å; C393-C403 WeakPolarHBondContact SG-CB 3.29Å; C393-C403 CovalentContact SG-SG 2.04Å; C393-C403 PolarHBondContact SG-SG 3.48Å; K400-C403 WeakPolarHBondContact O-CA 3.41Å; K400-C403 PolarHBondContact O-N 3.34Å; A401-C403 PolarHBondContact O-N 3.21Å
404	C	95	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.			trans	-99.2	155.8	175.5	-62.2	0	0	0	0	111.3	C240 T243 V399 K400 N402	C240-C404 WeakPolarHBondContact CA-SG 3.11Å; C240-C404 HydrophobicContact CB-CB 3.61Å; C240-C404 WeakPolarHBondContact CB-SG 3.22Å; C240-C404 VanDerWaalsContact SG-CA 3.58Å; C240-C404 WeakPolarHBondContact SG-CB 3.39Å; C240-C404 CovalentContact SG-SG 2.05Å; C240-C404 PolarHBondContact SG-SG 2.87Å; T243-C404 HydrophobicContact CG2-CB 3.91Å; V399-C404 WeakPolarHBondContact CA-O 3.25Å; K400-C404 PolarHBondContact N-O 3.47Å; N402-C404 PolarHBondContact O-N 3.07Å; N402-C404 WeakPolarHBondContact OD1-CB 3.34Å; N402-C404 PolarHBondContact OD1-N 2.99Å
405	P	95.4	Very high	93.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-66.8	141.5	179.8	27.3	-33.2	0	0	0	111	M244 N398 G407 A522 P523 L525	M244-P405 HydrophobicContact CB-CG 4.14Å; M244-P405 HydrophobicContact CG-CG 4.44Å; M244-P405 PolarHBondContact N-O 2.8Å; N398-P405 VanDerWaalsContact O-CA 3.29Å; N398-P405 WeakPolarHBondContact O-CA 3.35Å; P405-G407 PolarHBondContact O-N 3.25Å; P405-A522 HydrophobicContact CB-CB 4.34Å; P405-P523 VanDerWaalsContact CD-O 3.27Å; P405-P523 WeakPolarHBondContact CD-O 3.49Å; P405-P523 VanDerWaalsContact CG-O 3.29Å; P405-P523 WeakPolarHBondContact CG-O 3.06Å; P405-L525 HydrophobicContact CB-CD1 3.82Å; P405-L525 HydrophobicContact CB-CD2 4.09Å; P405-L525 HydrophobicContact CB-CG 3.8Å; P405-L525 HydrophobicContact CG-CD1 4.44Å; P405-L525 HydrophobicContact CG-CD2 3.81Å; P405-L525 HydrophobicContact CG-CG 3.92Å
406	G	92.6	Very high	93.9	Very high	25 Å²	25	38.1 Å²	38.1	26%	0.258	20%	0.198	S	C	.	.	S	Bend	trans	-77.3	-4	-177.2	0	0	0	0	0	115.8	N398	N398-G406 PolarHBondContact O-N 2.93Å
407	G	93.9	Very high	94.3	Very high	16 Å²	16	40.2 Å²	40.2	17%	0.165	20%	0.204	C	C	.	.	S	Bend	trans	170.5	169.7	-170	0	0	0	0	0	111.7	M244 P405 L410 L525	M244-G407 WeakPolarHBondContact O-CA 3.38Å; P405-G407 PolarHBondContact O-N 3.25Å; G407-L410 WeakPolarHBondContact O-CD1 3.4Å; G407-L525 WeakPolarHBondContact O-CD1 3.46Å
408	K	94.3	Very high	94.8	Very high	104 Å²	104	33 Å²	33	45%	0.452	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	152.6	174	-63.4	-178.1	-178.1	-179.4	0	111.4	M244 N245 L410 D531	M244-K408 HydrophobicContact CE-CG 4.33Å; M244-K408 HydrophobicContact CG-CG 3.85Å; M244-K408 HydrophobicContact SD-CG 4.01Å; N245-K408 VanDerWaalsContact OD1-CE 3.27Å; N245-K408 WeakPolarHBondContact OD1-CE 3.49Å; K408-L410 PolarHBondContact O-N 3.32Å; K408-D531 HydrophobicContact CB-CB 4.11Å
409	G	95.2	Very high	95.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	4.9	175.7	0	0	0	0	0	114.6	A411 V467 I468 R529 C530	G409-A411 PolarHBondContact O-N 2.05Å; G409-V467 CarbonylContact O-C 3.43Å; G409-V467 WeakPolarHBondContact O-CA 3.17Å; G409-I468 PolarHBondContact O-N 3.29Å; G409-R529 WeakPolarHBondContact CA-O 3.45Å; G409-C530 VanDerWaalsContact CA-O 3.23Å; G409-C530 WeakPolarHBondContact CA-O 3.36Å; G409-C530 PolarHBondContact N-O 3.1Å
410	L	95.9	Very high	95.5	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.068	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.3	-178.7	-68.7	170.1	0	0	0	110.7	K397 N398 G407 K408 I466 V467 A522 L525	K397-L410 WeakPolarHBondContact O-CD1 3.5Å; K397-L410 WeakPolarHBondContact O-CD2 3.34Å; N398-L410 WeakPolarHBondContact O-CD1 3.27Å; G407-L410 WeakPolarHBondContact O-CD1 3.4Å; K408-L410 PolarHBondContact O-N 3.32Å; L410-I466 WeakPolarHBondContact CA-O 3.32Å; L410-V467 HydrophobicContact CD2-CG2 3.75Å; L410-A522 HydrophobicContact CB-CB 3.83Å; L410-A522 WeakPolarHBondContact O-CB 3.38Å; L410-A522 PolarHBondContact O-N 2.92Å; L410-L525 HydrophobicContact CB-CD1 3.9Å
411	A	95.8	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	169.3	-176.4	0	0	0	0	0	111.8	N398 G409 P465 I466 I468 V519 E520 C530	N398-A411 PolarHBondContact ND2-O 3.08Å; N398-A411 PolarHBondContact OD1-O 3.49Å; G409-A411 PolarHBondContact O-N 2.05Å; A411-P465 CarbonylContact O-C 3.57Å; A411-P465 WeakPolarHBondContact O-CA 3.41Å; A411-I466 HydrophobicContact CB-CG1 4.22Å; A411-I466 PolarHBondContact N-O 2.86Å; A411-I466 WeakPolarHBondContact O-CG1 3.37Å; A411-I466 PolarHBondContact O-N 3.02Å; A411-I468 HydrophobicContact CB-CD1 3.91Å; A411-I468 HydrophobicContact CB-CG1 4.26Å; A411-V519 HydrophobicContact CB-CG1 3.93Å; A411-E520 CarbonylContact C-O 3.44Å; A411-E520 WeakPolarHBondContact CA-O 3.15Å; A411-E520 WeakPolarHBondContact CB-O 3.27Å; A411-C530 HydrophobicContact CB-CB 4.43Å
412	T	95.2	Very high	95.5	Very high	35 Å²	35	36.1 Å²	36.1	22%	0.215	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	168.7	-57.6	0	0	0	0	108.8	N398 G464 V519 E520	N398-T412 PolarHBondContact ND2-OG1 3.47Å; T412-G464 WeakPolarHBondContact CA-O 3.44Å; T412-V519 WeakPolarHBondContact O-CA 3.4Å; T412-E520 PolarHBondContact N-O 2.9Å; T412-E520 PolarHBondContact O-N 3.03Å
413	L	96.3	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128	178.5	169.7	68.3	0	0	0	110.9	V415 Y439 F463 G464 I466 L474 L497 Y517 V519	L413-V415 HydrophobicContact CD1-CG2 4.04Å; L413-V415 HydrophobicContact CD2-CG2 4.3Å; L413-V415 HydrophobicContact CG-CG2 4.11Å; L413-Y439 HydrophobicContact CD2-CD1 4.5Å; L413-Y439 HydrophobicContact CD2-CD2 4.45Å; L413-Y439 HydrophobicContact CD2-CG 4.08Å; L413-F463 HydrophobicContact CB-CB 4.03Å; L413-F463 HydrophobicContact CD2-CB 4.05Å; L413-F463 HydrophobicContact CD2-CD1 4.47Å; L413-F463 HydrophobicContact CD2-CD2 3.99Å; L413-F463 HydrophobicContact CD2-CG 3.91Å; L413-F463 HydrophobicContact CG-CB 4.16Å; L413-F463 HydrophobicContact CG-CD2 4.23Å; L413-F463 HydrophobicContact CG-CG 4.35Å; L413-F463 WeakPolarHBondContact O-CB 3.45Å; L413-F463 PolarHBondContact O-N 3.38Å; L413-G464 PolarHBondContact N-O 3.07Å; L413-I466 HydrophobicContact CB-CD1 3.66Å; L413-I466 HydrophobicContact CB-CG1 3.96Å; L413-I466 HydrophobicContact CB-CG2 4.28Å; L413-I466 HydrophobicContact CD2-CD1 4.29Å; L413-L474 HydrophobicContact CD2-CD1 4.39Å; L413-L497 HydrophobicContact CD1-CD1 4.14Å; L413-L497 HydrophobicContact CD1-CD2 4.01Å; L413-L497 HydrophobicContact CD2-CD1 3.92Å; L413-L497 HydrophobicContact CG-CD1 4.48Å; L413-Y517 HydrophobicContact CD1-CD2 4.26Å; L413-Y517 HydrophobicContact CD1-CG 4.46Å; L413-V519 HydrophobicContact CD1-CG2 3.9Å
414	K	97.4	Very high	94.9	Very high	90 Å²	90	39 Å²	39	39%	0.391	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.6	167.8	-58.1	176.7	179.4	171.7	0	110.1	F461 D462 Y517 S518	K414-F461 CarbonylContact C-O 3.57Å; K414-F461 WeakPolarHBondContact CA-O 3.21Å; K414-D462 WeakPolarHBondContact CE-OD2 3.45Å; K414-Y517 CarbonylContact O-C 3.56Å; K414-Y517 WeakPolarHBondContact O-CA 3.28Å; K414-Y517 WeakPolarHBondContact O-CB 3.35Å; K414-S518 PolarHBondContact N-O 3.27Å; K414-S518 PolarHBondContact O-N 3.48Å
415	V	97.8	Very high	93.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.5	178.9	179	0	0	0	0	108.7	L413 L418 V437 K460 F461 F463 L474 F476 S516	L413-V415 HydrophobicContact CD1-CG2 4.04Å; L413-V415 HydrophobicContact CD2-CG2 4.3Å; L413-V415 HydrophobicContact CG-CG2 4.11Å; V415-L418 HydrophobicContact CG1-CD2 3.89Å; V415-V437 HydrophobicContact CG1-CG1 4.17Å; V415-V437 HydrophobicContact CG2-CG1 4.34Å; V415-K460 CarbonylContact O-C 3.57Å; V415-K460 WeakPolarHBondContact O-CA 3.33Å; V415-F461 HydrophobicContact CB-CB 4.35Å; V415-F461 PolarHBondContact N-O 3.32Å; V415-F461 PolarHBondContact O-N 2.96Å; V415-F463 HydrophobicContact CB-CE2 4.34Å; V415-F463 HydrophobicContact CG2-CD2 4.14Å; V415-F463 HydrophobicContact CG2-CE2 3.93Å; V415-L474 HydrophobicContact CG2-CD1 4.06Å; V415-L474 HydrophobicContact CG2-CD2 4.17Å; V415-F476 HydrophobicContact CG1-CE1 3.7Å; V415-F476 HydrophobicContact CG1-CZ 3.85Å; V415-S516 WeakPolarHBondContact CA-O 3Å
416	Y	97.9	Very high	92.2	Very high	51 Å²	51	42.1 Å²	42.1	20%	0.2	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	177.5	-170.8	59	-87.3	0	0	0	111.6	L418 S516	Y416-L418 VanDerWaalsContact C-N 3.35Å; Y416-L418 PolarHBondContact O-N 3.44Å; Y416-S516 PolarHBondContact N-O 3.33Å; Y416-S516 CarbonylContact O-C 3.6Å; Y416-S516 WeakPolarHBondContact O-CA 3.49Å; Y416-S516 PolarHBondContact O-N 2.89Å
417	K	97.6	Very high	90.7	Very high	132 Å²	132	46.5 Å²	46.5	57%	0.574	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	54.2	50.4	-177.9	-77.6	170.7	-178.2	-173.9	0	111.5	F515	K417-F515 WeakPolarHBondContact O-CA 3.37Å
418	L	98.3	Very high	89.1	Confident	3 Å²	3	55 Å²	55	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.3	176.5	-53.1	-172.9	0	0	0	108.6	V415 Y416 V437 T446 W457 F461 F476 F513 F514 F515	V415-L418 HydrophobicContact CG1-CD2 3.89Å; Y416-L418 VanDerWaalsContact C-N 3.35Å; Y416-L418 PolarHBondContact O-N 3.44Å; L418-V437 HydrophobicContact CD1-CG2 4.11Å; L418-T446 HydrophobicContact CD1-CG2 3.96Å; L418-W457 HydrophobicContact CB-CB 4.24Å; L418-W457 HydrophobicContact CB-CE3 3.97Å; L418-W457 PolarHBondContact O-N 3.16Å; L418-F461 HydrophobicContact CD1-CD2 4.14Å; L418-F461 HydrophobicContact CD1-CE2 3.76Å; L418-F476 HydrophobicContact CD2-CE1 4.06Å; L418-F513 HydrophobicContact CB-CE2 4.12Å; L418-F513 HydrophobicContact CB-CZ 4.24Å; L418-F513 HydrophobicContact CD2-CZ 3.91Å; L418-F513 HydrophobicContact CG-CZ 4.48Å; L418-F514 WeakPolarHBondContact CA-O 3.47Å; L418-F515 HydrophobicContact CD2-CB 3.47Å; L418-F515 VanDerWaalsContact CD2-CB 3.47Å
419	Y	97.9	Very high	88	Confident	65 Å²	65	52.5 Å²	52.5	26%	0.255	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.8	173	67.3	-81.2	0	0	0	110.9	R421 P455 F513 F514	Y419-R421 HydrophobicContact CD2-CG 4.47Å; Y419-R421 HydrophobicContact CE2-CG 4.5Å; Y419-P455 CarbonylContact C-O 3.58Å; Y419-P455 VanDerWaalsContact CA-O 3.23Å; Y419-P455 WeakPolarHBondContact CA-O 3.45Å; Y419-P455 WeakPolarHBondContact CB-O 3.42Å; Y419-F513 WeakPolarHBondContact O-CD2 3.32Å; Y419-F514 HydrophobicContact CD1-CB 3.72Å; Y419-F514 HydrophobicContact CD2-CB 4.09Å; Y419-F514 AromaticContact CD2-CD2 3.77Å; Y419-F514 HydrophobicContact CD2-CD2 3.77Å; Y419-F514 HydrophobicContact CD2-CG 4.2Å; Y419-F514 HydrophobicContact CE1-CB 3.3Å; Y419-F514 HydrophobicContact CE1-CD2 4.5Å; Y419-F514 AromaticContact CE1-CG 3.97Å; Y419-F514 HydrophobicContact CE1-CG 3.97Å; Y419-F514 HydrophobicContact CE2-CB 3.71Å; Y419-F514 HydrophobicContact CE2-CD1 4.33Å; Y419-F514 AromaticContact CE2-CD2 3.28Å; Y419-F514 HydrophobicContact CE2-CD2 3.28Å; Y419-F514 AromaticContact CE2-CE2 3.95Å; Y419-F514 HydrophobicContact CE2-CE2 3.95Å; Y419-F514 AromaticContact CE2-CG 3.52Å; Y419-F514 HydrophobicContact CE2-CG 3.52Å; Y419-F514 HydrophobicContact CG-CB 4.1Å; Y419-F514 AromaticContact CZ-CD1 3.96Å; Y419-F514 AromaticContact CZ-CD2 3.71Å; Y419-F514 AromaticContact CZ-CG 3.38Å; Y419-F514 PolarHBondContact N-O 3.03Å; Y419-F514 WeakPolarHBondContact O-CA 3.36Å; Y419-F514 PolarHBondContact O-N 3.19Å; Y419-F514 WeakPolarHBondContact OH-CG 3.25Å
420	A	96.9	Very high	87.2	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	165.8	173.6	0	0	0	0	0	111.6	L423 N454 P455 W457 T512 F513	A420-L423 HydrophobicContact CB-CD1 3.41Å; A420-L423 VanDerWaalsContact CB-CD1 3.41Å; A420-L423 HydrophobicContact CB-CD2 3.95Å; A420-L423 HydrophobicContact CB-CG 3.5Å; A420-N454 CarbonylContact O-C 3.57Å; A420-N454 VanDerWaalsContact O-CA 3.29Å; A420-N454 WeakPolarHBondContact O-CA 3.45Å; A420-P455 HydrophobicContact CB-CG 4.19Å; A420-P455 PolarHBondContact N-O 3.32Å; A420-W457 HydrophobicContact CB-CH2 4.11Å; A420-W457 HydrophobicContact CB-CZ3 4.15Å; A420-T512 CarbonylContact C-O 3.51Å; A420-T512 VanDerWaalsContact CA-O 3.24Å; A420-T512 WeakPolarHBondContact CA-O 3.49Å; A420-F513 HydrophobicContact CB-CD2 4.34Å
421	R	95.4	Very high	86.6	Confident	135 Å²	135	56.5 Å²	56.5	51%	0.509	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.1	173.8	-64	-175	-176.9	179.2	2.8	110.1	Y419 L423 N454 G511 T512 F514	Y419-R421 HydrophobicContact CD2-CG 4.47Å; Y419-R421 HydrophobicContact CE2-CG 4.5Å; R421-L423 VanDerWaalsContact C-N 3.34Å; R421-L423 PolarHBondContact O-N 3.13Å; R421-N454 VanDerWaalsContact CA-OD1 3.27Å; R421-N454 WeakPolarHBondContact CA-OD1 3.48Å; R421-G511 CarbonylContact O-C 3.31Å; R421-G511 WeakPolarHBondContact O-CA 3.45Å; R421-T512 PolarHBondContact N-O 3.02Å; R421-T512 PolarHBondContact O-N 2.87Å; R421-F514 HydrophobicContact CB-CE2 4.4Å; R421-F514 HydrophobicContact CG-CE2 4.14Å
422	G	92	Very high	86.3	Confident	38 Å²	38	58.3 Å²	58.3	39%	0.392	30%	0.296	S	S	.	.	S	Bend	trans	61.7	35.7	177.6	0	0	0	0	0	114.3	D453 N454 H510 G511	G422-D453 PolarHBondContact N-O 3.29Å; G422-N454 PolarHBondContact N-OD1 2.93Å; G422-N454 VanDerWaalsContact N-OD1 3.08Å; G422-H510 CarbonylContact O-C 3.54Å; G422-H510 VanDerWaalsContact O-C 3.31Å; G422-G511 WeakPolarHBondContact O-CA 3.5Å; G422-G511 PolarHBondContact O-N 3.47Å
423	L	89.3	Confident	86.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.286	C	S	.	.			trans	-63.7	147.2	169.4	-67.6	-178.3	0	0	0	109.9	A420 R421 T431 D453 P455 W457 V478 L490 F508	A420-L423 HydrophobicContact CB-CD1 3.41Å; A420-L423 VanDerWaalsContact CB-CD1 3.41Å; A420-L423 HydrophobicContact CB-CD2 3.95Å; A420-L423 HydrophobicContact CB-CG 3.5Å; R421-L423 VanDerWaalsContact C-N 3.34Å; R421-L423 PolarHBondContact O-N 3.13Å; L423-T431 HydrophobicContact CB-CG2 4.24Å; L423-T431 HydrophobicContact CD1-CG2 4.44Å; L423-D453 PolarHBondContact N-O 3.25Å; L423-D453 WeakPolarHBondContact O-CB 3.49Å; L423-P455 HydrophobicContact CD1-CG 3.95Å; L423-W457 HydrophobicContact CD1-CH2 4.29Å; L423-V478 HydrophobicContact CD1-CG1 4.02Å; L423-L490 HydrophobicContact CB-CD1 4.46Å; L423-L490 HydrophobicContact CD1-CD1 4.44Å; L423-F508 HydrophobicContact CD2-CD2 4.08Å
424	Y	81.9	Confident	86.1	Confident	107 Å²	107	56.7 Å²	56.7	42%	0.42	29%	0.286	S	S	.	.			trans	-153	113.8	176.6	-169.2	-106.6	0	0	0	109.3	D426	Y424-D426 VanDerWaalsContact CE2-O 3.31Å; Y424-D426 WeakPolarHBondContact CE2-O 2.98Å; Y424-D426 PolarHBondContact OH-O 3.43Å; Y424-D426 VanDerWaalsContact OH-O 3.12Å
425	G	68.3	Low	86	Confident	28 Å²	28	52.4 Å²	52.4	29%	0.289	27%	0.267	S	S	.	.			trans	-120.6	-44.1	176.6	0	0	0	0	0	113.1	T431 D480	G425-T431 PolarHBondContact N-OG1 3.1Å; G425-D480 WeakPolarHBondContact CA-OD2 3.33Å
426	D	67.3	Low	86	Confident	39 Å²	39	54 Å²	54	21%	0.209	28%	0.275	C	S	.	.			trans	-77.4	138.5	178.8	-73.2	-35.7	0	0	0	114.6	Y424 F428 D480	Y424-D426 VanDerWaalsContact CE2-O 3.31Å; Y424-D426 WeakPolarHBondContact CE2-O 2.98Å; Y424-D426 PolarHBondContact OH-O 3.43Å; Y424-D426 VanDerWaalsContact OH-O 3.12Å; D426-F428 VanDerWaalsContact C-N 3.31Å; D426-D480 PolarHBondContact N-OD2 3.2Å
427	T	61.1	Low	86	Confident	116 Å²	116	51.5 Å²	51.5	71%	0.712	27%	0.265	S	S	*	.	S	Bend	trans	-74	-21.9	170.6	42.9	0	0	0	0	113.1
428	F	60.1	Low	86	Confident	194 Å²	194	50 Å²	50	85%	0.851	26%	0.259	S	S	*	.	S	Bend	trans	-140	97.1	176.9	-69.3	-84	0	0	0	110.4	D426	D426-F428 VanDerWaalsContact C-N 3.31Å
429	G	70.9	Confident	85.9	Confident	52 Å²	52	50.2 Å²	50.2	54%	0.536	26%	0.259	S	S	.	.	S	Bend	trans	139.4	-169.1	-178.7	0	0	0	0	0	112.2
430	K	78.1	Confident	85.6	Confident	98 Å²	98	47.8 Å²	47.8	43%	0.426	25%	0.254	S	S	.	.			trans	-113.5	152.7	164.7	-59.1	178.8	175.3	176.8	0	108.2	N451 D453	K430-N451 VanDerWaalsContact CB-OD1 3.22Å; K430-N451 WeakPolarHBondContact CB-OD1 3.4Å; K430-N451 VanDerWaalsContact CD-O 3.26Å; K430-N451 WeakPolarHBondContact CD-O 3.47Å; K430-N451 WeakPolarHBondContact CD-OD1 3.5Å; K430-N451 WeakPolarHBondContact CG-OD1 3.06Å; K430-D453 WeakPolarHBondContact CA-OD1 3.42Å; K430-D453 VanDerWaalsContact CB-OD1 3.28Å; K430-D453 WeakPolarHBondContact CB-OD1 3.43Å
431	T	83.4	Confident	85.4	Confident	1 Å²	1	56 Å²	56	1%	0.006	30%	0.298	C	S	.	.			trans	-60.8	140.4	-174.6	-77.5	0	0	0	0	114	L423 G425 G433 N451 D452 D453 D480 L490	L423-T431 HydrophobicContact CB-CG2 4.24Å; L423-T431 HydrophobicContact CD1-CG2 4.44Å; G425-T431 PolarHBondContact N-OG1 3.1Å; T431-G433 PolarHBondContact O-N 3.18Å; T431-N451 PolarHBondContact O-N 2.86Å; T431-D452 PolarHBondContact O-N 3.01Å; T431-D453 PolarHBondContact N-OD1 3.22Å; T431-D453 VanDerWaalsContact N-OD1 3.16Å; T431-D480 WeakPolarHBondContact CA-OD2 3.5Å; T431-D480 WeakPolarHBondContact CB-OD2 2.99Å; T431-D480 HydrophobicContact CG2-CB 4.37Å; T431-D480 WeakPolarHBondContact CG2-OD2 3.4Å; T431-D480 PolarHBondContact OG1-OD2 3.18Å; T431-L490 HydrophobicContact CG2-CD1 3.7Å
432	D	89.1	Confident	85.3	Confident	38 Å²	38	52.3 Å²	52.3	20%	0.203	29%	0.287	C	S	.	.			trans	-95.4	73.4	170.8	-72.9	-18.1	0	0	0	110.4	I448 I449 S450 N451 D480 E481	D432-I448 HydrophobicContact CB-CG2 4.2Å; D432-I449 CarbonylContact C-O 3.51Å; D432-I449 WeakPolarHBondContact CA-O 3.37Å; D432-S450 WeakPolarHBondContact OD1-CA 3.36Å; D432-S450 WeakPolarHBondContact OD1-CB 3.2Å; D432-N451 PolarHBondContact OD1-N 2.75Å; D432-D480 WeakPolarHBondContact CA-OD1 3.02Å; D432-D480 PolarHBondContact N-OD1 3.32Å; D432-E481 HydrophobicContact CB-CB 4.48Å; D432-E481 PolarHBondContact O-N 3.17Å
433	G	91.8	Very high	85.5	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.4	-164.6	0	0	0	0	0	116	T431 I449 W457 Y479	T431-G433 PolarHBondContact O-N 3.18Å; G433-I449 PolarHBondContact N-O 3.18Å; G433-I449 PolarHBondContact O-N 3.39Å; G433-W457 PolarHBondContact O-NE1 2.83Å; G433-W457 VanDerWaalsContact O-NE1 3.07Å; G433-Y479 WeakPolarHBondContact CA-O 3.49Å
434	S	94.8	Very high	85.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.3	165.8	97.4	0	0	0	0	112.4	V478 Y479 E481	S434-V478 WeakPolarHBondContact O-CA 3.49Å; S434-Y479 PolarHBondContact N-O 3.19Å; S434-Y479 PolarHBondContact O-N 2.74Å; S434-E481 PolarHBondContact OG-OE1 3.42Å
435	V	96.9	Very high	86.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.7	177.7	-172.8	0	0	0	0	110.4	V437 R445 T446 W457 F476 V478 F513	V435-V437 HydrophobicContact CG1-CG2 4.1Å; V435-R445 VanDerWaalsContact O-CA 3.31Å; V435-R445 WeakPolarHBondContact O-CA 3.47Å; V435-T446 HydrophobicContact CB-CG2 4Å; V435-T446 PolarHBondContact N-OG1 3.49Å; V435-T446 PolarHBondContact O-N 3.44Å; V435-W457 HydrophobicContact CG2-CD2 3.92Å; V435-W457 HydrophobicContact CG2-CE3 3.76Å; V435-W457 HydrophobicContact CG2-CH2 3.45Å; V435-W457 VanDerWaalsContact CG2-CH2 3.45Å; V435-W457 HydrophobicContact CG2-CZ2 3.63Å; V435-W457 HydrophobicContact CG2-CZ3 3.54Å; V435-F476 HydrophobicContact CG1-CD1 4.13Å; V435-V478 HydrophobicContact CG1-CG2 4.34Å; V435-V478 HydrophobicContact CG2-CG1 4.46Å; V435-V478 HydrophobicContact CG2-CG2 4.17Å; V435-F513 HydrophobicContact CG1-CE1 4.44Å; V435-F513 HydrophobicContact CG1-CE2 4.18Å; V435-F513 HydrophobicContact CG1-CZ 3.77Å; V435-F513 HydrophobicContact CG2-CD2 4.38Å; V435-F513 HydrophobicContact CG2-CE2 3.71Å; V435-F513 HydrophobicContact CG2-CZ 4.18Å
436	E	97.3	Very high	87.9	Confident	33 Å²	33	57 Å²	57	15%	0.154	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.8	166.9	-175.7	175.7	103	0	0	110.3	L443 K444 R445 F476 S477 Y479	E436-L443 VanDerWaalsContact CD-CD1 3.45Å; E436-L443 HydrophobicContact CG-CD1 3.35Å; E436-L443 HydrophobicContact CG-CD2 4.29Å; E436-L443 HydrophobicContact CG-CG 3.83Å; E436-L443 WeakPolarHBondContact OE1-CD1 3.44Å; E436-K444 CarbonylContact C-O 3.58Å; E436-K444 WeakPolarHBondContact CA-O 2.99Å; E436-R445 IonicContact OE2-CZ 3.58Å; E436-R445 IonicContact OE2-NE 3.14Å; E436-R445 IonicContact OE2-NH2 2.68Å; E436-R445 PolarHBondContact OE2-NH2 2.84Å; E436-F476 CarbonylContact O-C 3.48Å; E436-F476 WeakPolarHBondContact O-CA 3.15Å; E436-S477 PolarHBondContact N-O 3.42Å; E436-S477 PolarHBondContact O-N 2.84Å; E436-Y479 HydrophobicContact CB-CE2 3.95Å
437	V	97.9	Very high	89.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.5	178.7	-168	0	0	0	0	108.9	V415 L418 V435 K444 F461 F463 L474 T475 F476	V415-V437 HydrophobicContact CG1-CG1 4.17Å; V415-V437 HydrophobicContact CG2-CG1 4.34Å; L418-V437 HydrophobicContact CD1-CG2 4.11Å; V435-V437 HydrophobicContact CG1-CG2 4.1Å; V437-K444 PolarHBondContact N-O 2.04Å; V437-K444 PolarHBondContact O-N 3.23Å; V437-F461 HydrophobicContact CB-CD2 4.22Å; V437-F461 HydrophobicContact CB-CE2 4.44Å; V437-F461 HydrophobicContact CG2-CD2 3.72Å; V437-F461 HydrophobicContact CG2-CE2 3.65Å; V437-F463 HydrophobicContact CB-CE2 4.39Å; V437-F463 HydrophobicContact CB-CZ 4.01Å; V437-F463 HydrophobicContact CG1-CE2 3.8Å; V437-F463 HydrophobicContact CG1-CZ 3.63Å; V437-L474 HydrophobicContact CG1-CD1 3.67Å; V437-T475 WeakPolarHBondContact CA-O 3.47Å; V437-F476 HydrophobicContact CB-CD1 4.39Å; V437-F476 HydrophobicContact CB-CE1 4.39Å; V437-F476 HydrophobicContact CG1-CD1 4.06Å; V437-F476 HydrophobicContact CG1-CE1 3.71Å; V437-F476 HydrophobicContact CG1-CZ 4.31Å; V437-F476 HydrophobicContact CG2-CD1 3.79Å; V437-F476 HydrophobicContact CG2-CE1 3.84Å
438	K	97.5	Very high	90.7	Very high	100 Å²	100	61.2 Å²	61.2	44%	0.435	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137	-178.4	-171.8	175.3	179.7	175.1	0	111.9	G440 Q442 L443 L474 T475	K438-G440 WeakPolarHBondContact CE-O 3.45Å; K438-Q442 WeakPolarHBondContact CA-O 3Å; K438-L443 HydrophobicContact CB-CD1 3.58Å; K438-L443 HydrophobicContact CD-CD1 4.08Å; K438-L443 HydrophobicContact CG-CD1 3.85Å; K438-L474 WeakPolarHBondContact O-CA 3.4Å; K438-T475 PolarHBondContact N-O 2.84Å; K438-T475 PolarHBondContact O-N 2.75Å
439	Y	96.3	Very high	92.2	Very high	7 Å²	7	54 Å²	54	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	117.1	165	-173.1	-93	0	0	0	110.8	L413 D441 Q442 I466 V467 I468 N472 L474 L497	L413-Y439 HydrophobicContact CD2-CD1 4.5Å; L413-Y439 HydrophobicContact CD2-CD2 4.45Å; L413-Y439 HydrophobicContact CD2-CG 4.08Å; Y439-D441 PolarHBondContact O-N 2.87Å; Y439-Q442 PolarHBondContact N-O 3.27Å; Y439-Q442 PolarHBondContact O-N 3.34Å; Y439-Q442 VanDerWaalsContact O-N 3.1Å; Y439-I466 HydrophobicContact CD1-CB 4.05Å; Y439-I466 HydrophobicContact CD1-CD1 4.1Å; Y439-I466 HydrophobicContact CD1-CG2 3.84Å; Y439-I466 HydrophobicContact CE1-CB 3.78Å; Y439-I466 HydrophobicContact CE1-CD1 3.58Å; Y439-I466 HydrophobicContact CE1-CG1 4.31Å; Y439-I466 HydrophobicContact CE1-CG2 4.11Å; Y439-V467 WeakPolarHBondContact CE1-O 3.46Å; Y439-V467 PolarHBondContact OH-O 2.04Å; Y439-I468 WeakPolarHBondContact OH-CA 3.09Å; Y439-N472 HydrophobicContact CE1-CB 4.17Å; Y439-N472 HydrophobicContact CE2-CB 3.91Å; Y439-L474 HydrophobicContact CD2-CB 4.2Å; Y439-L497 HydrophobicContact CD2-CD1 3.7Å; Y439-L497 HydrophobicContact CD2-CG 4.25Å; Y439-L497 HydrophobicContact CE1-CD1 4.28Å; Y439-L497 HydrophobicContact CE2-CD1 3.23Å; Y439-L497 HydrophobicContact CE2-CG 3.74Å; Y439-L497 HydrophobicContact CG-CD1 4.39Å
440	G	92.5	Very high	93.1	Very high	15 Å²	15	55.3 Å²	55.3	16%	0.155	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-127	-169.8	0	0	0	0	0	110.8	K438 Q442	K438-G440 WeakPolarHBondContact CE-O 3.45Å; G440-Q442 VanDerWaalsContact C-N 3.32Å
441	D	91.6	Very high	93.6	Very high	173 Å²	173	55.4 Å²	55.4	93%	0.925	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.5	179.3	-53.8	-37.1	0	0	0	113.4	Y439	Y439-D441 PolarHBondContact O-N 2.87Å
442	Q	94.5	Very high	93.9	Very high	58 Å²	58	58 Å²	58	27%	0.271	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.4	-179.6	-62.6	-168.3	60.5	0	0	110.8	K438 Y439 G440 F463	K438-Q442 WeakPolarHBondContact CA-O 3Å; Y439-Q442 PolarHBondContact N-O 3.27Å; Y439-Q442 PolarHBondContact O-N 3.34Å; Y439-Q442 VanDerWaalsContact O-N 3.1Å; G440-Q442 VanDerWaalsContact C-N 3.32Å; Q442-F463 HydrophobicContact CB-CD1 3.63Å; Q442-F463 HydrophobicContact CB-CE1 3.78Å; Q442-F463 HydrophobicContact CG-CD1 4.4Å; Q442-F463 PolarHBondContact NE2-O 3.33Å; Q442-F463 PolarHBondContact OE1-O 3.49Å; Q442-F463 VanDerWaalsContact OE1-O 3.07Å
443	L	95.7	Very high	94	Very high	95 Å²	95	57.9 Å²	57.9	50%	0.497	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.3	176.6	-163.6	65.8	0	0	0	109.7	E436 K438	E436-L443 VanDerWaalsContact CD-CD1 3.45Å; E436-L443 HydrophobicContact CG-CD1 3.35Å; E436-L443 HydrophobicContact CG-CD2 4.29Å; E436-L443 HydrophobicContact CG-CG 3.83Å; E436-L443 WeakPolarHBondContact OE1-CD1 3.44Å; K438-L443 HydrophobicContact CB-CD1 3.58Å; K438-L443 HydrophobicContact CD-CD1 4.08Å; K438-L443 HydrophobicContact CG-CD1 3.85Å
444	K	96.5	Very high	94.2	Very high	63 Å²	63	61.7 Å²	61.7	27%	0.274	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146	177.1	-63.4	-177	177.5	-131.3	0	108.7	E436 V437 F461 D462 F463	E436-K444 CarbonylContact C-O 3.58Å; E436-K444 WeakPolarHBondContact CA-O 2.99Å; V437-K444 PolarHBondContact N-O 2.04Å; V437-K444 PolarHBondContact O-N 3.23Å; K444-F461 HydrophobicContact CB-CD1 3.71Å; K444-F461 HydrophobicContact CB-CD2 4.43Å; K444-F461 HydrophobicContact CB-CE1 3.89Å; K444-F461 HydrophobicContact CB-CG 4Å; K444-F461 HydrophobicContact CB-CZ 4.33Å; K444-F461 HydrophobicContact CD-CB 3.76Å; K444-F461 HydrophobicContact CD-CD1 3.78Å; K444-F461 HydrophobicContact CD-CG 3.97Å; K444-F461 HydrophobicContact CG-CD1 4.3Å; K444-D462 WeakPolarHBondContact CE-O 3.46Å; K444-D462 PolarHBondContact NZ-O 3.06Å; K444-F463 HydrophobicContact CB-CZ 4.36Å; K444-F463 HydrophobicContact CD-CD2 4.31Å; K444-F463 HydrophobicContact CD-CE1 4.33Å; K444-F463 HydrophobicContact CD-CE2 4.02Å; K444-F463 HydrophobicContact CD-CZ 4.02Å; K444-F463 HydrophobicContact CG-CE1 4.43Å; K444-F463 HydrophobicContact CG-CZ 4.2Å
445	R	95.9	Very high	94.2	Very high	105 Å²	105	61.7 Å²	61.7	40%	0.396	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.3	179.8	-167.5	175.8	-78.2	-156.3	-0.3	110.2	V435 E436 F461 E481	V435-R445 VanDerWaalsContact O-CA 3.31Å; V435-R445 WeakPolarHBondContact O-CA 3.47Å; E436-R445 IonicContact OE2-CZ 3.58Å; E436-R445 IonicContact OE2-NE 3.14Å; E436-R445 IonicContact OE2-NH2 2.68Å; E436-R445 PolarHBondContact OE2-NH2 2.84Å; R445-F461 WeakPolarHBondContact O-CZ 3.44Å; R445-E481 IonicContact CZ-OE1 2.78Å; R445-E481 IonicContact NH1-OE1 2.93Å; R445-E481 PolarHBondContact NH1-OE1 3.26Å
446	T	97	Very high	94.2	Very high	11 Å²	11	70.4 Å²	70.4	7%	0.067	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-73.2	168.5	172.7	62.6	0	0	0	0	110.3	L418 V435 W457 E459 F461	L418-T446 HydrophobicContact CD1-CG2 3.96Å; V435-T446 HydrophobicContact CB-CG2 4Å; V435-T446 PolarHBondContact N-OG1 3.49Å; V435-T446 PolarHBondContact O-N 3.44Å; T446-W457 HydrophobicContact CG2-CB 3.83Å; T446-W457 HydrophobicContact CG2-CG 3.84Å; T446-W457 PolarHBondContact OG1-NE1 3.47Å; T446-E459 HydrophobicContact CG2-CB 4.39Å; T446-F461 HydrophobicContact CG2-CE2 3.78Å; T446-F461 HydrophobicContact CG2-CZ 3.71Å
447	K	94.3	Very high	94.3	Very high	160 Å²	160	69.2 Å²	69.2	70%	0.696	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-65.4	156.1	158.8	-68.5	177.9	-180	-176.5	0	110.3	W457 E459	K447-W457 VanDerWaalsContact O-CD1 3.25Å; K447-W457 PolarHBondContact O-NE1 3Å; K447-E459 WeakPolarHBondContact CB-OE1 3.38Å; K447-E459 WeakPolarHBondContact CG-OE1 3.38Å; K447-E459 PolarHBondContact N-OE1 2.78Å
448	I	93.3	Very high	94.2	Very high	83 Å²	83	74.4 Å²	74.4	43%	0.426	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-75.8	132.3	171.2	-54.5	172.9	0	0	0	107.5	D432 E481	D432-I448 HydrophobicContact CB-CG2 4.2Å; I448-E481 HydrophobicContact CD1-CB 3.86Å; I448-E481 HydrophobicContact CD1-CG 3.97Å; I448-E481 HydrophobicContact CG1-CB 4.33Å; I448-E481 HydrophobicContact CG1-CG 4.07Å; I448-E481 HydrophobicContact CG2-CB 4.13Å; I448-E481 HydrophobicContact CG2-CG 4.43Å
449	I	92.3	Very high	94.2	Very high	42 Å²	42	71.2 Å²	71.2	22%	0.215	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-109.9	111.7	169.9	-65	178	0	0	0	106.7	D432 G433 D452 P455 R456 W457	D432-I449 CarbonylContact C-O 3.51Å; D432-I449 WeakPolarHBondContact CA-O 3.37Å; G433-I449 PolarHBondContact N-O 3.18Å; G433-I449 PolarHBondContact O-N 3.39Å; I449-D452 HydrophobicContact CG2-CB 4.08Å; I449-P455 HydrophobicContact CB-CB 4.09Å; I449-P455 HydrophobicContact CD1-CB 4.07Å; I449-P455 HydrophobicContact CG2-CB 4.08Å; I449-R456 VanDerWaalsContact CD1-O 3.31Å; I449-R456 WeakPolarHBondContact CD1-O 3.44Å; I449-W457 HydrophobicContact CD1-CG 4.02Å
450	S	89.1	Confident	94.2	Very high	79 Å²	79	79 Å²	79	55%	0.552	39%	0.393	S	S	*	.			trans	-83.6	146.5	-174.2	-59.4	0	0	0	0	113.5	D432 D452	D432-S450 WeakPolarHBondContact OD1-CA 3.36Å; D432-S450 WeakPolarHBondContact OD1-CB 3.2Å; S450-D452 PolarHBondContact O-N 2.86Å
451	N	87.3	Confident	94.4	Very high	100 Å²	100	79.3 Å²	79.3	54%	0.535	39%	0.39	S	S	.	.	S	Bend	trans	55.3	46	170.2	-165	14.3	0	0	0	113.5	K430 T431 D432	K430-N451 VanDerWaalsContact CB-OD1 3.22Å; K430-N451 WeakPolarHBondContact CB-OD1 3.4Å; K430-N451 VanDerWaalsContact CD-O 3.26Å; K430-N451 WeakPolarHBondContact CD-O 3.47Å; K430-N451 WeakPolarHBondContact CD-OD1 3.5Å; K430-N451 WeakPolarHBondContact CG-OD1 3.06Å; T431-N451 PolarHBondContact O-N 2.86Å; D432-N451 PolarHBondContact OD1-N 2.75Å
452	D	89.9	Confident	94.6	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.294	37%	0.366	S	S	.	.			trans	-146.2	112.7	179.9	-171.4	0.8	0	0	0	112	T431 I449 S450 N454 P455	T431-D452 PolarHBondContact O-N 3.01Å; I449-D452 HydrophobicContact CG2-CB 4.08Å; S450-D452 PolarHBondContact O-N 2.86Å; D452-N454 PolarHBondContact O-N 3.3Å; D452-N454 WeakPolarHBondContact OD1-CA 3.33Å; D452-N454 PolarHBondContact OD1-N 3.43Å; D452-P455 VanDerWaalsContact O-CD 3.29Å; D452-P455 WeakPolarHBondContact O-CD 3.29Å
453	D	91.4	Very high	94.5	Very high	36 Å²	36	72.2 Å²	72.2	19%	0.193	35%	0.354	C	S	.	.	S	Bend	trans	-74.4	-7.8	176.2	-53.4	-38.4	0	0	0	113.3	G422 L423 K430 T431	G422-D453 PolarHBondContact N-O 3.29Å; L423-D453 PolarHBondContact N-O 3.25Å; L423-D453 WeakPolarHBondContact O-CB 3.49Å; K430-D453 WeakPolarHBondContact CA-OD1 3.42Å; K430-D453 VanDerWaalsContact CB-OD1 3.28Å; K430-D453 WeakPolarHBondContact CB-OD1 3.43Å; T431-D453 PolarHBondContact N-OD1 3.22Å; T431-D453 VanDerWaalsContact N-OD1 3.16Å
454	N	95.6	Very high	94	Very high	81 Å²	81	68.4 Å²	68.4	43%	0.433	34%	0.337	S	S	.	.	S	Bend	trans	-126.9	48.8	-179.3	-55.1	-88.6	0	0	0	112.5	A420 R421 G422 D452	A420-N454 CarbonylContact O-C 3.57Å; A420-N454 VanDerWaalsContact O-CA 3.29Å; A420-N454 WeakPolarHBondContact O-CA 3.45Å; R421-N454 VanDerWaalsContact CA-OD1 3.27Å; R421-N454 WeakPolarHBondContact CA-OD1 3.48Å; G422-N454 PolarHBondContact N-OD1 2.93Å; G422-N454 VanDerWaalsContact N-OD1 3.08Å; D452-N454 PolarHBondContact O-N 3.3Å; D452-N454 WeakPolarHBondContact OD1-CA 3.33Å; D452-N454 PolarHBondContact OD1-N 3.43Å
455	P	95.6	Very high	93.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.338	C	S	.	.			trans	-66	146.6	-169.5	30.8	-35.9	0	0	0	111.3	Y419 A420 L423 I449 D452 W457	Y419-P455 CarbonylContact C-O 3.58Å; Y419-P455 VanDerWaalsContact CA-O 3.23Å; Y419-P455 WeakPolarHBondContact CA-O 3.45Å; Y419-P455 WeakPolarHBondContact CB-O 3.42Å; A420-P455 HydrophobicContact CB-CG 4.19Å; A420-P455 PolarHBondContact N-O 3.32Å; L423-P455 HydrophobicContact CD1-CG 3.95Å; I449-P455 HydrophobicContact CB-CB 4.09Å; I449-P455 HydrophobicContact CD1-CB 4.07Å; I449-P455 HydrophobicContact CG2-CB 4.08Å; D452-P455 VanDerWaalsContact O-CD 3.29Å; D452-P455 WeakPolarHBondContact O-CD 3.29Å; P455-W457 HydrophobicContact CB-CH2 4.07Å; P455-W457 HydrophobicContact CB-CZ2 3.78Å; P455-W457 HydrophobicContact CG-CH2 3.35Å; P455-W457 HydrophobicContact CG-CZ2 3.44Å; P455-W457 VanDerWaalsContact CG-CZ2 3.44Å; P455-W457 HydrophobicContact CG-CZ3 4.02Å
456	R	97.7	Very high	93.5	Very high	183 Å²	183	62.9 Å²	62.9	69%	0.691	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	106.7	174	-65.6	-176.1	177.3	-168.8	2.1	109.8	I449	I449-R456 VanDerWaalsContact CD1-O 3.31Å; I449-R456 WeakPolarHBondContact CD1-O 3.44Å
457	W	97.7	Very high	93.4	Very high	8 Å²	8	65.4 Å²	65.4	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.9	-178.7	-59.9	-82.5	0	0	0	110.4	L418 A420 L423 G433 V435 T446 K447 I449 P455 E459 F513	L418-W457 HydrophobicContact CB-CB 4.24Å; L418-W457 HydrophobicContact CB-CE3 3.97Å; L418-W457 PolarHBondContact O-N 3.16Å; A420-W457 HydrophobicContact CB-CH2 4.11Å; A420-W457 HydrophobicContact CB-CZ3 4.15Å; L423-W457 HydrophobicContact CD1-CH2 4.29Å; G433-W457 PolarHBondContact O-NE1 2.83Å; G433-W457 VanDerWaalsContact O-NE1 3.07Å; V435-W457 HydrophobicContact CG2-CD2 3.92Å; V435-W457 HydrophobicContact CG2-CE3 3.76Å; V435-W457 HydrophobicContact CG2-CH2 3.45Å; V435-W457 VanDerWaalsContact CG2-CH2 3.45Å; V435-W457 HydrophobicContact CG2-CZ2 3.63Å; V435-W457 HydrophobicContact CG2-CZ3 3.54Å; T446-W457 HydrophobicContact CG2-CB 3.83Å; T446-W457 HydrophobicContact CG2-CG 3.84Å; T446-W457 PolarHBondContact OG1-NE1 3.47Å; K447-W457 VanDerWaalsContact O-CD1 3.25Å; K447-W457 PolarHBondContact O-NE1 3Å; I449-W457 HydrophobicContact CD1-CG 4.02Å; P455-W457 HydrophobicContact CB-CH2 4.07Å; P455-W457 HydrophobicContact CB-CZ2 3.78Å; P455-W457 HydrophobicContact CG-CH2 3.35Å; P455-W457 HydrophobicContact CG-CZ2 3.44Å; P455-W457 VanDerWaalsContact CG-CZ2 3.44Å; P455-W457 HydrophobicContact CG-CZ3 4.02Å; W457-E459 WeakPolarHBondContact CB-OE2 3.49Å; W457-E459 PolarHBondContact O-N 2.93Å; W457-F513 HydrophobicContact CE3-CE2 4.23Å; W457-F513 HydrophobicContact CH2-CD2 4.48Å; W457-F513 AromaticContact CZ3-CD2 3.88Å; W457-F513 HydrophobicContact CZ3-CD2 3.88Å; W457-F513 AromaticContact CZ3-CE2 3.7Å; W457-F513 HydrophobicContact CZ3-CE2 3.7Å
458	P	96.1	Very high	93.4	Very high	108 Å²	108	58.2 Å²	58.2	70%	0.701	31%	0.305	S	S	*	.			trans	-72.2	-12.5	-178.4	30.1	-36.9	0	0	0	113.5
459	E	97.4	Very high	93.3	Very high	34 Å²	34	56.3 Å²	56.3	16%	0.159	30%	0.296	C	S	.	.			trans	-58	140.4	-175.9	-72.1	82.3	169.4	0	0	112.6	T446 K447 W457 F461	T446-E459 HydrophobicContact CG2-CB 4.39Å; K447-E459 WeakPolarHBondContact CB-OE1 3.38Å; K447-E459 WeakPolarHBondContact CG-OE1 3.38Å; K447-E459 PolarHBondContact N-OE1 2.78Å; W457-E459 WeakPolarHBondContact CB-OE2 3.49Å; W457-E459 PolarHBondContact O-N 2.93Å; E459-F461 HydrophobicContact CB-CE1 4.01Å; E459-F461 HydrophobicContact CB-CE2 4.29Å; E459-F461 HydrophobicContact CB-CZ 3.81Å; E459-F461 HydrophobicContact CG-CE1 4.24Å; E459-F461 HydrophobicContact CG-CZ 4.17Å
460	K	96.9	Very high	93	Very high	169 Å²	169	61 Å²	61	74%	0.735	32%	0.319	S	S	*	.			trans	-123	115.3	167.2	-58.6	-176.1	-177.4	170.9	0	107.1	V415	V415-K460 CarbonylContact O-C 3.57Å; V415-K460 WeakPolarHBondContact O-CA 3.33Å
461	F	97.2	Very high	93	Very high	23 Å²	23	64.3 Å²	64.3	10%	0.101	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.9	-179.6	-63	-52.9	0	0	0	110.1	K414 V415 L418 V437 K444 R445 T446 E459 F463	K414-F461 CarbonylContact C-O 3.57Å; K414-F461 WeakPolarHBondContact CA-O 3.21Å; V415-F461 HydrophobicContact CB-CB 4.35Å; V415-F461 PolarHBondContact N-O 3.32Å; V415-F461 PolarHBondContact O-N 2.96Å; L418-F461 HydrophobicContact CD1-CD2 4.14Å; L418-F461 HydrophobicContact CD1-CE2 3.76Å; V437-F461 HydrophobicContact CB-CD2 4.22Å; V437-F461 HydrophobicContact CB-CE2 4.44Å; V437-F461 HydrophobicContact CG2-CD2 3.72Å; V437-F461 HydrophobicContact CG2-CE2 3.65Å; K444-F461 HydrophobicContact CB-CD1 3.71Å; K444-F461 HydrophobicContact CB-CD2 4.43Å; K444-F461 HydrophobicContact CB-CE1 3.89Å; K444-F461 HydrophobicContact CB-CG 4Å; K444-F461 HydrophobicContact CB-CZ 4.33Å; K444-F461 HydrophobicContact CD-CB 3.76Å; K444-F461 HydrophobicContact CD-CD1 3.78Å; K444-F461 HydrophobicContact CD-CG 3.97Å; K444-F461 HydrophobicContact CG-CD1 4.3Å; R445-F461 WeakPolarHBondContact O-CZ 3.44Å; T446-F461 HydrophobicContact CG2-CE2 3.78Å; T446-F461 HydrophobicContact CG2-CZ 3.71Å; E459-F461 HydrophobicContact CB-CE1 4.01Å; E459-F461 HydrophobicContact CB-CE2 4.29Å; E459-F461 HydrophobicContact CB-CZ 3.81Å; E459-F461 HydrophobicContact CG-CE1 4.24Å; E459-F461 HydrophobicContact CG-CZ 4.17Å; F461-F463 HydrophobicContact CB-CD2 4.15Å; F461-F463 HydrophobicContact CB-CE2 3.77Å
462	D	95	Very high	93.3	Very high	77 Å²	77	61.9 Å²	61.9	41%	0.412	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.1	165.6	-163.5	-23.3	0	0	0	108.7	K414 K444 G464	K414-D462 WeakPolarHBondContact CE-OD2 3.45Å; K444-D462 WeakPolarHBondContact CE-O 3.46Å; K444-D462 PolarHBondContact NZ-O 3.06Å; D462-G464 PolarHBondContact O-N 2.86Å; D462-G464 VanDerWaalsContact OD1-CA 3.27Å; D462-G464 WeakPolarHBondContact OD1-CA 3.49Å; D462-G464 PolarHBondContact OD1-N 3.14Å
463	F	92.9	Very high	93.6	Very high	5 Å²	5	63.6 Å²	63.6	2%	0.022	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-7	173.8	-79.2	-101.5	0	0	0	111.8	L413 V415 V437 Q442 K444 F461 I466	L413-F463 HydrophobicContact CB-CB 4.03Å; L413-F463 HydrophobicContact CD2-CB 4.05Å; L413-F463 HydrophobicContact CD2-CD1 4.47Å; L413-F463 HydrophobicContact CD2-CD2 3.99Å; L413-F463 HydrophobicContact CD2-CG 3.91Å; L413-F463 HydrophobicContact CG-CB 4.16Å; L413-F463 HydrophobicContact CG-CD2 4.23Å; L413-F463 HydrophobicContact CG-CG 4.35Å; L413-F463 WeakPolarHBondContact O-CB 3.45Å; L413-F463 PolarHBondContact O-N 3.38Å; V415-F463 HydrophobicContact CB-CE2 4.34Å; V415-F463 HydrophobicContact CG2-CD2 4.14Å; V415-F463 HydrophobicContact CG2-CE2 3.93Å; V437-F463 HydrophobicContact CB-CE2 4.39Å; V437-F463 HydrophobicContact CB-CZ 4.01Å; V437-F463 HydrophobicContact CG1-CE2 3.8Å; V437-F463 HydrophobicContact CG1-CZ 3.63Å; Q442-F463 HydrophobicContact CB-CD1 3.63Å; Q442-F463 HydrophobicContact CB-CE1 3.78Å; Q442-F463 HydrophobicContact CG-CD1 4.4Å; Q442-F463 PolarHBondContact NE2-O 3.33Å; Q442-F463 PolarHBondContact OE1-O 3.49Å; Q442-F463 VanDerWaalsContact OE1-O 3.07Å; K444-F463 HydrophobicContact CB-CZ 4.36Å; K444-F463 HydrophobicContact CD-CD2 4.31Å; K444-F463 HydrophobicContact CD-CE1 4.33Å; K444-F463 HydrophobicContact CD-CE2 4.02Å; K444-F463 HydrophobicContact CD-CZ 4.02Å; K444-F463 HydrophobicContact CG-CE1 4.43Å; K444-F463 HydrophobicContact CG-CZ 4.2Å; F461-F463 HydrophobicContact CB-CD2 4.15Å; F461-F463 HydrophobicContact CB-CE2 3.77Å; F463-I466 HydrophobicContact CB-CG2 4.06Å
464	G	84.8	Confident	93.9	Very high	15 Å²	15	61.9 Å²	61.9	16%	0.155	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.6	-147.8	-177.7	0	0	0	0	0	111.4	T412 L413 D462 I466	T412-G464 WeakPolarHBondContact CA-O 3.44Å; L413-G464 PolarHBondContact N-O 3.07Å; D462-G464 PolarHBondContact O-N 2.86Å; D462-G464 VanDerWaalsContact OD1-CA 3.27Å; D462-G464 WeakPolarHBondContact OD1-CA 3.49Å; D462-G464 PolarHBondContact OD1-N 3.14Å; G464-I466 PolarHBondContact O-N 3.26Å
465	P	88.8	Confident	94	Very high	44 Å²	44	58.9 Å²	58.9	29%	0.286	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	120.9	175.8	-29	38.7	0	0	0	114	K397 N398 A411	K397-P465 HydrophobicContact CB-CB 3.44Å; K397-P465 VanDerWaalsContact CB-CB 3.44Å; K397-P465 HydrophobicContact CB-CG 4.15Å; K397-P465 HydrophobicContact CD-CB 4.17Å; K397-P465 HydrophobicContact CG-CB 4.38Å; N398-P465 WeakPolarHBondContact OD1-CB 3.18Å; A411-P465 CarbonylContact O-C 3.57Å; A411-P465 WeakPolarHBondContact O-CA 3.41Å
466	I	93.8	Very high	94.1	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	166	175.9	61.3	147.4	0	0	0	111.1	L410 A411 L413 Y439 F463 G464 I468 L497	L410-I466 WeakPolarHBondContact CA-O 3.32Å; A411-I466 HydrophobicContact CB-CG1 4.22Å; A411-I466 PolarHBondContact N-O 2.86Å; A411-I466 WeakPolarHBondContact O-CG1 3.37Å; A411-I466 PolarHBondContact O-N 3.02Å; L413-I466 HydrophobicContact CB-CD1 3.66Å; L413-I466 HydrophobicContact CB-CG1 3.96Å; L413-I466 HydrophobicContact CB-CG2 4.28Å; L413-I466 HydrophobicContact CD2-CD1 4.29Å; Y439-I466 HydrophobicContact CD1-CB 4.05Å; Y439-I466 HydrophobicContact CD1-CD1 4.1Å; Y439-I466 HydrophobicContact CD1-CG2 3.84Å; Y439-I466 HydrophobicContact CE1-CB 3.78Å; Y439-I466 HydrophobicContact CE1-CD1 3.58Å; Y439-I466 HydrophobicContact CE1-CG1 4.31Å; Y439-I466 HydrophobicContact CE1-CG2 4.11Å; F463-I466 HydrophobicContact CB-CG2 4.06Å; G464-I466 PolarHBondContact O-N 3.26Å; I466-I468 HydrophobicContact CD1-CG1 4Å; I466-L497 HydrophobicContact CD1-CD1 3.48Å; I466-L497 VanDerWaalsContact CD1-CD1 3.48Å
467	V	94.6	Very high	94.1	Very high	63 Å²	63	50.5 Å²	50.5	38%	0.382	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.1	167.2	-178.2	0	0	0	0	108.7	G409 L410 Y439 N469	G409-V467 CarbonylContact O-C 3.43Å; G409-V467 WeakPolarHBondContact O-CA 3.17Å; L410-V467 HydrophobicContact CD2-CG2 3.75Å; Y439-V467 WeakPolarHBondContact CE1-O 3.46Å; Y439-V467 PolarHBondContact OH-O 2.04Å; V467-N469 HydrophobicContact CG1-CB 4.4Å
468	I	94.7	Very high	94	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.046	26%	0.261	C	S	.	.			trans	-80.8	115.6	168.3	-55.1	176.5	0	0	0	107.9	G409 A411 Y439 I466 L497 V519 R529 C530	G409-I468 PolarHBondContact O-N 3.29Å; A411-I468 HydrophobicContact CB-CD1 3.91Å; A411-I468 HydrophobicContact CB-CG1 4.26Å; Y439-I468 WeakPolarHBondContact OH-CA 3.09Å; I466-I468 HydrophobicContact CD1-CG1 4Å; I468-L497 HydrophobicContact CD1-CB 4.46Å; I468-L497 HydrophobicContact CG1-CB 4.44Å; I468-L497 HydrophobicContact CG2-CB 4.43Å; I468-V519 HydrophobicContact CD1-CG1 3.57Å; I468-R529 WeakPolarHBondContact CB-O 3.5Å; I468-R529 HydrophobicContact CG2-CB 3.96Å; I468-R529 HydrophobicContact CG2-CG 4.24Å; I468-C530 HydrophobicContact CD1-CB 4.4Å
469	N	90.7	Very high	93.9	Very high	43 Å²	43	46.7 Å²	46.7	23%	0.23	23%	0.234	C	C	.	.			trans	-139.6	-172.4	179.5	63.9	33	0	0	0	109.6	V467 Q471 N472 R529	V467-N469 HydrophobicContact CG1-CB 4.4Å; N469-Q471 VanDerWaalsContact CB-OE1 3.31Å; N469-Q471 PolarHBondContact OD1-N 2.77Å; N469-Q471 PolarHBondContact OD1-OE1 3.07Å; N469-N472 PolarHBondContact ND2-ND2 2.74Å; N469-N472 VanDerWaalsContact ND2-ND2 3.14Å; N469-N472 WeakPolarHBondContact OD1-CB 3.44Å; N469-N472 PolarHBondContact OD1-N 2.78Å; N469-R529 PolarHBondContact O-NH2 2.86Å; N469-R529 VanDerWaalsContact O-NH2 3.14Å
470	M	86	Confident	93.5	Very high	142 Å²	142	45.1 Å²	45.1	70%	0.7	23%	0.227	S	C	*	.	S	Bend	trans	-88.9	-14	-178.5	-61.2	-172.8	-158	0	0	112.3	R529	M470-R529 VanDerWaalsContact N-NH2 3.11Å
471	Q	89.5	Confident	93	Very high	148 Å²	148	37.9 Å²	37.9	69%	0.692	20%	0.195	S	C	*	.	S	Bend	trans	-89	-38.7	-172.4	-62.9	81.9	0.9	0	0	111.8	N469	N469-Q471 VanDerWaalsContact CB-OE1 3.31Å; N469-Q471 PolarHBondContact OD1-N 2.77Å; N469-Q471 PolarHBondContact OD1-OE1 3.07Å
472	N	93.6	Very high	91.9	Very high	48 Å²	48	39.7 Å²	39.7	26%	0.257	21%	0.206	S	C	.	.			trans	-89.7	130.3	-174.2	-67.3	-27.2	0	0	0	111.1	Y439 N469	Y439-N472 HydrophobicContact CE1-CB 4.17Å; Y439-N472 HydrophobicContact CE2-CB 3.91Å; N469-N472 PolarHBondContact ND2-ND2 2.74Å; N469-N472 VanDerWaalsContact ND2-ND2 3.14Å; N469-N472 WeakPolarHBondContact OD1-CB 3.44Å; N469-N472 PolarHBondContact OD1-N 2.78Å
473	K	95.8	Very high	90.4	Very high	91 Å²	91	39.9 Å²	39.9	40%	0.396	21%	0.21	S	C	.	.			trans	-119.5	141.6	174.3	-59.9	-165.2	174	-159.2	0	110.9	T475 F495 D496	K473-T475 PolarHBondContact O-N 2.77Å; K473-T475 PolarHBondContact O-OG1 3.05Å; K473-F495 CarbonylContact C-O 3.52Å; K473-F495 WeakPolarHBondContact CA-O 3.45Å; K473-D496 WeakPolarHBondContact CE-OD1 3.43Å; K473-D496 IonicContact NZ-OD1 2.75Å; K473-D496 IonicContact NZ-OD2 3.96Å
474	L	97.1	Very high	88.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	111.2	168.6	175.7	60.6	0	0	0	107.7	L413 V415 V437 K438 Y439 F476 S494 F495 L497 Y517	L413-L474 HydrophobicContact CD2-CD1 4.39Å; V415-L474 HydrophobicContact CG2-CD1 4.06Å; V415-L474 HydrophobicContact CG2-CD2 4.17Å; V437-L474 HydrophobicContact CG1-CD1 3.67Å; K438-L474 WeakPolarHBondContact O-CA 3.4Å; Y439-L474 HydrophobicContact CD2-CB 4.2Å; L474-F476 HydrophobicContact CD1-CE2 4.3Å; L474-F476 HydrophobicContact CD1-CZ 4.15Å; L474-F476 HydrophobicContact CD2-CE2 3.73Å; L474-F476 HydrophobicContact CD2-CZ 3.74Å; L474-F476 HydrophobicContact CG-CD2 4.44Å; L474-F476 HydrophobicContact CG-CE2 3.63Å; L474-F476 HydrophobicContact CG-CZ 3.87Å; L474-S494 CarbonylContact O-C 3.57Å; L474-S494 VanDerWaalsContact O-CA 3.32Å; L474-S494 WeakPolarHBondContact O-CA 3.44Å; L474-F495 PolarHBondContact N-O 3.39Å; L474-F495 PolarHBondContact O-N 3.33Å; L474-L497 HydrophobicContact CB-CD2 3.83Å; L474-L497 HydrophobicContact CB-CG 4.28Å; L474-L497 HydrophobicContact CD2-CD2 3.86Å; L474-L497 HydrophobicContact CG-CD2 4.46Å; L474-Y517 HydrophobicContact CD2-CD1 3.8Å; L474-Y517 HydrophobicContact CD2-CE1 4.38Å; L474-Y517 HydrophobicContact CD2-CG 4.1Å
475	T	98	Very high	87.1	Confident	18 Å²	18	60.7 Å²	60.7	11%	0.11	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.1	-173.2	-58.3	0	0	0	0	110	V437 K438 K473 K492 C493 S494	V437-T475 WeakPolarHBondContact CA-O 3.47Å; K438-T475 PolarHBondContact N-O 2.84Å; K438-T475 PolarHBondContact O-N 2.75Å; K473-T475 PolarHBondContact O-N 2.77Å; K473-T475 PolarHBondContact O-OG1 3.05Å; T475-K492 HydrophobicContact CG2-CD 4.39Å; T475-K492 HydrophobicContact CG2-CG 4.08Å; T475-C493 CarbonylContact C-O 3.6Å; T475-C493 VanDerWaalsContact CA-O 3.31Å; T475-C493 WeakPolarHBondContact CA-O 3.32Å; T475-S494 WeakPolarHBondContact CG2-OG 3.5Å; T475-S494 PolarHBondContact OG1-OG 3.49Å
476	F	98.1	Very high	86.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.2	172.4	-59.4	-89.5	0	0	0	108.4	V415 L418 V435 E436 V437 L474 K492 C493 F495 F513 F515	V415-F476 HydrophobicContact CG1-CE1 3.7Å; V415-F476 HydrophobicContact CG1-CZ 3.85Å; L418-F476 HydrophobicContact CD2-CE1 4.06Å; V435-F476 HydrophobicContact CG1-CD1 4.13Å; E436-F476 CarbonylContact O-C 3.48Å; E436-F476 WeakPolarHBondContact O-CA 3.15Å; V437-F476 HydrophobicContact CB-CD1 4.39Å; V437-F476 HydrophobicContact CB-CE1 4.39Å; V437-F476 HydrophobicContact CG1-CD1 4.06Å; V437-F476 HydrophobicContact CG1-CE1 3.71Å; V437-F476 HydrophobicContact CG1-CZ 4.31Å; V437-F476 HydrophobicContact CG2-CD1 3.79Å; V437-F476 HydrophobicContact CG2-CE1 3.84Å; L474-F476 HydrophobicContact CD1-CE2 4.3Å; L474-F476 HydrophobicContact CD1-CZ 4.15Å; L474-F476 HydrophobicContact CD2-CE2 3.73Å; L474-F476 HydrophobicContact CD2-CZ 3.74Å; L474-F476 HydrophobicContact CG-CD2 4.44Å; L474-F476 HydrophobicContact CG-CE2 3.63Å; L474-F476 HydrophobicContact CG-CZ 3.87Å; F476-K492 VanDerWaalsContact O-CA 3.28Å; F476-K492 WeakPolarHBondContact O-CA 3.29Å; F476-C493 PolarHBondContact N-O 2.86Å; F476-C493 PolarHBondContact O-N 2.85Å; F476-F495 HydrophobicContact CD2-CD2 4.18Å; F476-F495 HydrophobicContact CD2-CE2 4.08Å; F476-F495 HydrophobicContact CE2-CD2 4.19Å; F476-F495 HydrophobicContact CE2-CE2 4.34Å; F476-F513 HydrophobicContact CB-CD1 4.36Å; F476-F513 HydrophobicContact CB-CE1 3.8Å; F476-F513 AromaticContact CD1-CE1 3.56Å; F476-F513 HydrophobicContact CD1-CE1 3.56Å; F476-F513 AromaticContact CD1-CZ 3.86Å; F476-F513 HydrophobicContact CD1-CZ 3.86Å; F476-F513 HydrophobicContact CD2-CE1 4.34Å; F476-F513 HydrophobicContact CE1-CE1 4.17Å; F476-F513 HydrophobicContact CE1-CZ 4.33Å; F476-F513 AromaticContact CG-CE1 3.65Å; F476-F513 HydrophobicContact CG-CE1 3.65Å; F476-F513 HydrophobicContact CG-CZ 4.39Å; F476-F515 HydrophobicContact CD2-CD1 4.26Å; F476-F515 HydrophobicContact CD2-CE1 4.28Å; F476-F515 HydrophobicContact CD2-CG 4.41Å; F476-F515 HydrophobicContact CD2-CZ 4.41Å; F476-F515 HydrophobicContact CE1-CB 4.08Å; F476-F515 HydrophobicContact CE1-CD2 4.4Å; F476-F515 HydrophobicContact CE1-CG 4.2Å; F476-F515 HydrophobicContact CE2-CB 4.45Å; F476-F515 AromaticContact CE2-CD1 3.93Å; F476-F515 HydrophobicContact CE2-CD1 3.93Å; F476-F515 AromaticContact CE2-CD2 3.5Å; F476-F515 HydrophobicContact CE2-CD2 3.5Å; F476-F515 AromaticContact CE2-CE1 3.99Å; F476-F515 HydrophobicContact CE2-CE1 3.99Å; F476-F515 AromaticContact CE2-CE2 3.55Å; F476-F515 HydrophobicContact CE2-CE2 3.55Å; F476-F515 AromaticContact CE2-CG 3.7Å; F476-F515 HydrophobicContact CE2-CG 3.7Å; F476-F515 AromaticContact CE2-CZ 3.79Å; F476-F515 HydrophobicContact CE2-CZ 3.79Å; F476-F515 HydrophobicContact CZ-CB 3.89Å; F476-F515 HydrophobicContact CZ-CD1 4.23Å; F476-F515 AromaticContact CZ-CD2 3.4Å; F476-F515 HydrophobicContact CZ-CD2 3.4Å; F476-F515 AromaticContact CZ-CE2 3.93Å; F476-F515 HydrophobicContact CZ-CE2 3.93Å; F476-F515 AromaticContact CZ-CG 3.57Å; F476-F515 HydrophobicContact CZ-CG 3.57Å
477	S	97.3	Very high	85.7	Confident	8 Å²	8	64.1 Å²	64.1	6%	0.056	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.2	169.6	-54.5	0	0	0	0	107.3	E436 Y479 G491	E436-S477 PolarHBondContact N-O 3.42Å; E436-S477 PolarHBondContact O-N 2.84Å; S477-Y479 VanDerWaalsContact CB-CE2 3.44Å; S477-G491 WeakPolarHBondContact CA-O 3.09Å
478	V	96	Very high	85.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.6	-178.7	-175.5	0	0	0	0	108.3	L423 S434 V435 L490 G491 F508 F513	L423-V478 HydrophobicContact CD1-CG1 4.02Å; S434-V478 WeakPolarHBondContact O-CA 3.49Å; V435-V478 HydrophobicContact CG1-CG2 4.34Å; V435-V478 HydrophobicContact CG2-CG1 4.46Å; V435-V478 HydrophobicContact CG2-CG2 4.17Å; V478-L490 HydrophobicContact CG1-CD1 4.49Å; V478-L490 WeakPolarHBondContact O-CB 3.38Å; V478-L490 PolarHBondContact O-N 2.99Å; V478-G491 PolarHBondContact N-O 2.92Å; V478-G491 PolarHBondContact O-N 3.33Å; V478-F508 HydrophobicContact CB-CE2 3.85Å; V478-F508 HydrophobicContact CB-CZ 4.27Å; V478-F508 HydrophobicContact CG1-CE2 4.42Å; V478-F508 HydrophobicContact CG2-CE2 3.61Å; V478-F508 HydrophobicContact CG2-CZ 3.76Å; V478-F513 HydrophobicContact CG2-CB 4.26Å; V478-F513 HydrophobicContact CG2-CD1 4.25Å; V478-F513 HydrophobicContact CG2-CD2 4.12Å; V478-F513 HydrophobicContact CG2-CG 3.94Å
479	Y	93.1	Very high	85.2	Confident	36 Å²	36	68.9 Å²	68.9	14%	0.141	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.6	-174.1	-64.6	-87.3	0	0	0	111.4	G433 S434 E436 S477 D488 L489	G433-Y479 WeakPolarHBondContact CA-O 3.49Å; S434-Y479 PolarHBondContact N-O 3.19Å; S434-Y479 PolarHBondContact O-N 2.74Å; E436-Y479 HydrophobicContact CB-CE2 3.95Å; S477-Y479 VanDerWaalsContact CB-CE2 3.44Å; Y479-D488 CarbonylContact C-O 3.42Å; Y479-D488 WeakPolarHBondContact CA-O 3.38Å; Y479-L489 HydrophobicContact CD1-CB 4.18Å; Y479-L489 HydrophobicContact CD1-CD1 4.1Å; Y479-L489 HydrophobicContact CE1-CB 3.94Å; Y479-L489 HydrophobicContact CE1-CD1 3.65Å; Y479-L489 HydrophobicContact CE1-CG 4.39Å; Y479-L489 HydrophobicContact CE2-CD1 4.28Å
480	D	89.8	Confident	85.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	136.8	155.3	-146.3	-22.4	0	0	0	108.2	G425 D426 T431 D432 S487 D488 L490	G425-D480 WeakPolarHBondContact CA-OD2 3.33Å; D426-D480 PolarHBondContact N-OD2 3.2Å; T431-D480 WeakPolarHBondContact CA-OD2 3.5Å; T431-D480 WeakPolarHBondContact CB-OD2 2.99Å; T431-D480 HydrophobicContact CG2-CB 4.37Å; T431-D480 WeakPolarHBondContact CG2-OD2 3.4Å; T431-D480 PolarHBondContact OG1-OD2 3.18Å; D432-D480 WeakPolarHBondContact CA-OD1 3.02Å; D432-D480 PolarHBondContact N-OD1 3.32Å; D480-S487 CarbonylContact O-C 3.55Å; D480-S487 WeakPolarHBondContact O-CA 3.14Å; D480-D488 HydrophobicContact CB-CB 4.4Å; D480-D488 PolarHBondContact N-O 2.98Å; D480-D488 PolarHBondContact O-N 2.96Å; D480-L490 HydrophobicContact CB-CD1 4.08Å; D480-L490 HydrophobicContact CB-CD2 4.03Å; D480-L490 HydrophobicContact CB-CG 4.11Å
481	E	85.7	Confident	85.6	Confident	17 Å²	17	62.1 Å²	62.1	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	77.8	-168.3	-60.9	-93.9	-163.7	0	0	111.4	D432 S434 R445 I448 T483 S487	D432-E481 HydrophobicContact CB-CB 4.48Å; D432-E481 PolarHBondContact O-N 3.17Å; S434-E481 PolarHBondContact OG-OE1 3.42Å; R445-E481 IonicContact CZ-OE1 2.78Å; R445-E481 IonicContact NH1-OE1 2.93Å; R445-E481 PolarHBondContact NH1-OE1 3.26Å; I448-E481 HydrophobicContact CD1-CB 3.86Å; I448-E481 HydrophobicContact CD1-CG 3.97Å; I448-E481 HydrophobicContact CG1-CB 4.33Å; I448-E481 HydrophobicContact CG1-CG 4.07Å; I448-E481 HydrophobicContact CG2-CB 4.13Å; I448-E481 HydrophobicContact CG2-CG 4.43Å; E481-T483 VanDerWaalsContact C-N 3.34Å; E481-T483 PolarHBondContact O-N 3.33Å; E481-S487 VanDerWaalsContact OE2-CB 3.26Å; E481-S487 WeakPolarHBondContact OE2-CB 3.36Å
482	D	75	Confident	86	Confident	62 Å²	62	61.4 Å²	61.4	33%	0.332	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-36.4	-178.5	-36.3	-26.2	0	0	0	112.9	N486	D482-N486 PolarHBondContact N-O 3.35Å; D482-N486 PolarHBondContact OD2-ND2 2.84Å
483	T	62.6	Low	86.1	Confident	80 Å²	80	60 Å²	60	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.6	174.6	64.7	0	0	0	0	110.6	E481 W485 N486	E481-T483 VanDerWaalsContact C-N 3.34Å; E481-T483 PolarHBondContact O-N 3.33Å; T483-W485 PolarHBondContact O-N 2.82Å; T483-N486 PolarHBondContact N-O 2.85Å; T483-N486 PolarHBondContact O-N 3.31Å; T483-N486 VanDerWaalsContact O-N 3.14Å; T483-N486 VanDerWaalsContact OG1-CB 3.24Å; T483-N486 WeakPolarHBondContact OG1-CB 3.42Å; T483-N486 PolarHBondContact OG1-N 3.4Å; T483-N486 VanDerWaalsContact OG1-N 3.08Å
484	R	52.6	Low	86.1	Confident	223 Å²	223	58.4 Å²	58.4	84%	0.842	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-16.6	177.3	-168.4	173.5	-179.5	169.1	1.7	114.7
485	W	56.3	Low	86	Confident	234 Å²	234	60.4 Å²	60.4	89%	0.886	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-3.2	-176.8	-52.8	103.1	0	0	0	113.8	T483	T483-W485 PolarHBondContact O-N 2.82Å
486	N	73.6	Confident	85.9	Confident	78 Å²	78	63.9 Å²	63.9	42%	0.417	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	108.1	175	-162.5	40.7	0	0	0	108.1	D482 T483	D482-N486 PolarHBondContact N-O 3.35Å; D482-N486 PolarHBondContact OD2-ND2 2.84Å; T483-N486 PolarHBondContact N-O 2.85Å; T483-N486 PolarHBondContact O-N 3.31Å; T483-N486 VanDerWaalsContact O-N 3.14Å; T483-N486 VanDerWaalsContact OG1-CB 3.24Å; T483-N486 WeakPolarHBondContact OG1-CB 3.42Å; T483-N486 PolarHBondContact OG1-N 3.4Å; T483-N486 VanDerWaalsContact OG1-N 3.08Å
487	S	80.6	Confident	85.7	Confident	46 Å²	46	64.4 Å²	64.4	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.5	-178.6	65.5	0	0	0	0	109.1	D480 E481	D480-S487 CarbonylContact O-C 3.55Å; D480-S487 WeakPolarHBondContact O-CA 3.14Å; E481-S487 VanDerWaalsContact OE2-CB 3.26Å; E481-S487 WeakPolarHBondContact OE2-CB 3.36Å
488	D	87.7	Confident	85.5	Confident	78 Å²	78	69.9 Å²	69.9	42%	0.417	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.8	-177.8	-78.4	-15.5	0	0	0	110.8	Y479 D480 L490	Y479-D488 CarbonylContact C-O 3.42Å; Y479-D488 WeakPolarHBondContact CA-O 3.38Å; D480-D488 HydrophobicContact CB-CB 4.4Å; D480-D488 PolarHBondContact N-O 2.98Å; D480-D488 PolarHBondContact O-N 2.96Å; D488-L490 PolarHBondContact O-N 2.8Å
489	L	91.3	Very high	85.4	Confident	94 Å²	94	75.1 Å²	75.1	49%	0.492	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	108.4	179.7	-179.6	71.3	0	0	0	110.3	Y479 G491 K492	Y479-L489 HydrophobicContact CD1-CB 4.18Å; Y479-L489 HydrophobicContact CD1-CD1 4.1Å; Y479-L489 HydrophobicContact CE1-CB 3.94Å; Y479-L489 HydrophobicContact CE1-CD1 3.65Å; Y479-L489 HydrophobicContact CE1-CG 4.39Å; Y479-L489 HydrophobicContact CE2-CD1 4.28Å; L489-G491 WeakPolarHBondContact CD1-O 3.47Å; L489-K492 HydrophobicContact CD2-CB 4.49Å
490	L	91.3	Very high	85.5	Confident	32 Å²	32	75 Å²	75	17%	0.168	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-32.7	177	-59.5	-178	0	0	0	112.8	L423 T431 V478 D480 D488	L423-L490 HydrophobicContact CB-CD1 4.46Å; L423-L490 HydrophobicContact CD1-CD1 4.44Å; T431-L490 HydrophobicContact CG2-CD1 3.7Å; V478-L490 HydrophobicContact CG1-CD1 4.49Å; V478-L490 WeakPolarHBondContact O-CB 3.38Å; V478-L490 PolarHBondContact O-N 2.99Å; D480-L490 HydrophobicContact CB-CD1 4.08Å; D480-L490 HydrophobicContact CB-CD2 4.03Å; D480-L490 HydrophobicContact CB-CG 4.11Å; D488-L490 PolarHBondContact O-N 2.8Å
491	G	93.5	Very high	85.8	Confident	11 Å²	11	81 Å²	81	11%	0.113	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	156.4	-178.7	0	0	0	0	0	114.3	S477 V478 L489	S477-G491 WeakPolarHBondContact CA-O 3.09Å; V478-G491 PolarHBondContact N-O 2.92Å; V478-G491 PolarHBondContact O-N 3.33Å; L489-G491 WeakPolarHBondContact CD1-O 3.47Å
492	K	96.4	Very high	86.3	Confident	133 Å²	133	80.6 Å²	80.6	58%	0.578	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.4	179.1	-177.3	177.2	176.3	179.9	0	111.5	T475 F476 L489	T475-K492 HydrophobicContact CG2-CD 4.39Å; T475-K492 HydrophobicContact CG2-CG 4.08Å; F476-K492 VanDerWaalsContact O-CA 3.28Å; F476-K492 WeakPolarHBondContact O-CA 3.29Å; L489-K492 HydrophobicContact CD2-CB 4.49Å
493	C	96	Very high	87.3	Confident	20 Å²	20	81.9 Å²	81.9	14%	0.135	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.2	175.9	50	0	0	0	0	111	T475 F476 F495 C506	T475-C493 CarbonylContact C-O 3.6Å; T475-C493 VanDerWaalsContact CA-O 3.31Å; T475-C493 WeakPolarHBondContact CA-O 3.32Å; F476-C493 PolarHBondContact N-O 2.86Å; F476-C493 PolarHBondContact O-N 2.85Å; C493-F495 HydrophobicContact CB-CE2 3.81Å; C493-F495 HydrophobicContact CB-CZ 4.05Å; C493-C506 HydrophobicContact CB-CB 3.68Å; C493-C506 WeakPolarHBondContact CB-SG 3.42Å; C493-C506 WeakPolarHBondContact SG-CB 3.49Å; C493-C506 CovalentContact SG-SG 2.02Å; C493-C506 PolarHBondContact SG-SG 3Å
494	S	96.8	Very high	89	Confident	56 Å²	56	81.2 Å²	81.2	39%	0.392	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.5	-176.6	-65.3	0	0	0	0	111	L474 T475	L474-S494 CarbonylContact O-C 3.57Å; L474-S494 VanDerWaalsContact O-CA 3.32Å; L474-S494 WeakPolarHBondContact O-CA 3.44Å; T475-S494 WeakPolarHBondContact CG2-OG 3.5Å; T475-S494 PolarHBondContact OG1-OG 3.49Å
495	F	94.8	Very high	91.1	Very high	43 Å²	43	72.4 Å²	72.4	19%	0.189	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.3	-174.7	-56.6	-90.2	0	0	0	111.9	K473 L474 F476 C493 C506 F515	K473-F495 CarbonylContact C-O 3.52Å; K473-F495 WeakPolarHBondContact CA-O 3.45Å; L474-F495 PolarHBondContact N-O 3.39Å; L474-F495 PolarHBondContact O-N 3.33Å; F476-F495 HydrophobicContact CD2-CD2 4.18Å; F476-F495 HydrophobicContact CD2-CE2 4.08Å; F476-F495 HydrophobicContact CE2-CD2 4.19Å; F476-F495 HydrophobicContact CE2-CE2 4.34Å; C493-F495 HydrophobicContact CB-CE2 3.81Å; C493-F495 HydrophobicContact CB-CZ 4.05Å; F495-C506 VanDerWaalsContact CE2-SG 3.53Å; F495-C506 WeakPolarHBondContact CZ-SG 3.33Å; F495-F515 HydrophobicContact CD1-CZ 4.25Å; F495-F515 HydrophobicContact CD2-CE1 4.17Å; F495-F515 HydrophobicContact CD2-CE2 4.32Å; F495-F515 AromaticContact CD2-CZ 3.55Å; F495-F515 HydrophobicContact CD2-CZ 3.55Å; F495-F515 HydrophobicContact CE1-CE1 4.4Å; F495-F515 AromaticContact CE1-CZ 4Å; F495-F515 HydrophobicContact CE1-CZ 4Å; F495-F515 AromaticContact CE2-CE1 3.42Å; F495-F515 HydrophobicContact CE2-CE1 3.42Å; F495-F515 VanDerWaalsContact CE2-CE1 3.42Å; F495-F515 HydrophobicContact CE2-CE2 4.35Å; F495-F515 AromaticContact CE2-CZ 3.25Å; F495-F515 HydrophobicContact CE2-CZ 3.25Å; F495-F515 HydrophobicContact CG-CZ 4.05Å; F495-F515 AromaticContact CZ-CE1 3.56Å; F495-F515 HydrophobicContact CZ-CE1 3.56Å; F495-F515 AromaticContact CZ-CZ 3.5Å; F495-F515 HydrophobicContact CZ-CZ 3.5Å
496	D	94.6	Very high	93	Very high	91 Å²	91	61.6 Å²	61.6	49%	0.487	33%	0.333	S	S	.	.			trans	-77.7	134.1	167.2	-60.5	-52.7	0	0	0	109.5	K473	K473-D496 WeakPolarHBondContact CE-OD1 3.43Å; K473-D496 IonicContact NZ-OD1 2.75Å; K473-D496 IonicContact NZ-OD2 3.96Å
497	L	94.7	Very high	94	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.052	35%	0.351	C	S	.	.			trans	-78.2	143.4	178.6	-70.7	-177	0	0	0	111.3	L413 Y439 I466 I468 L474 Y517 V519	L413-L497 HydrophobicContact CD1-CD1 4.14Å; L413-L497 HydrophobicContact CD1-CD2 4.01Å; L413-L497 HydrophobicContact CD2-CD1 3.92Å; L413-L497 HydrophobicContact CG-CD1 4.48Å; Y439-L497 HydrophobicContact CD2-CD1 3.7Å; Y439-L497 HydrophobicContact CD2-CG 4.25Å; Y439-L497 HydrophobicContact CE1-CD1 4.28Å; Y439-L497 HydrophobicContact CE2-CD1 3.23Å; Y439-L497 HydrophobicContact CE2-CG 3.74Å; Y439-L497 HydrophobicContact CG-CD1 4.39Å; I466-L497 HydrophobicContact CD1-CD1 3.48Å; I466-L497 VanDerWaalsContact CD1-CD1 3.48Å; I468-L497 HydrophobicContact CD1-CB 4.46Å; I468-L497 HydrophobicContact CG1-CB 4.44Å; I468-L497 HydrophobicContact CG2-CB 4.43Å; L474-L497 HydrophobicContact CB-CD2 3.83Å; L474-L497 HydrophobicContact CB-CG 4.28Å; L474-L497 HydrophobicContact CD2-CD2 3.86Å; L474-L497 HydrophobicContact CG-CD2 4.46Å; L497-Y517 HydrophobicContact CD2-CD2 3.97Å; L497-Y517 HydrophobicContact CD2-CE1 4.41Å; L497-Y517 HydrophobicContact CD2-CE2 3.78Å; L497-Y517 HydrophobicContact CD2-CG 4.37Å; L497-V519 HydrophobicContact CB-CG2 4.41Å; L497-V519 HydrophobicContact CD1-CG2 4.31Å; L497-V519 HydrophobicContact CD2-CG2 4.23Å
498	R	93.1	Very high	94.6	Very high	124 Å²	124	64.6 Å²	64.6	47%	0.468	34%	0.341	S	S	.	.			trans	-135.2	153.7	167.2	66.2	-177.7	-176.1	-87.8	3	111.2	A500 V502 V519 S528	R498-A500 VanDerWaalsContact C-N 3.34Å; R498-A500 HydrophobicContact CG-CB 4.26Å; R498-A500 PolarHBondContact O-N 2.87Å; R498-V502 HydrophobicContact CG-CG2 4.49Å; R498-V519 WeakPolarHBondContact O-CB 3.31Å; R498-S528 CarbonylContact C-O 3.48Å; R498-S528 WeakPolarHBondContact CA-O 3.49Å
499	K	94.6	Very high	94.5	Very high	109 Å²	109	68.4 Å²	68.4	47%	0.474	36%	0.362	S	S	.	.	S	Bend	trans	-62	89.7	171.3	-175.3	-161.1	-179.3	175.4	0	110.2	C521 S528	K499-C521 VanDerWaalsContact CD-SG 3.58Å; K499-S528 PolarHBondContact N-O 3.04Å
500	A	93.6	Very high	94.3	Very high	35 Å²	35	69.1 Å²	69.1	29%	0.289	36%	0.362	S	S	.	.	S	Bend	trans	-166.2	168.2	175.1	0	0	0	0	0	110.7	R498 V502 S518 V519	R498-A500 VanDerWaalsContact C-N 3.34Å; R498-A500 HydrophobicContact CG-CB 4.26Å; R498-A500 PolarHBondContact O-N 2.87Å; A500-V502 HydrophobicContact CB-CG2 3.74Å; A500-S518 WeakPolarHBondContact O-CA 3.44Å; A500-V519 PolarHBondContact O-N 2.02Å
501	N	96.3	Very high	94.3	Very high	126 Å²	126	68.6 Å²	68.6	67%	0.674	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.1	156.9	-66.6	-32.1	0	0	0	107.2	Y517 S518	N501-Y517 WeakPolarHBondContact CA-O 3.35Å; N501-S518 WeakPolarHBondContact OD1-CB 3.36Å
502	V	96.6	Very high	94.5	Very high	7 Å²	7	69.7 Å²	69.7	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.4	-175.2	-180	0	0	0	0	108.8	R498 A500 D504 S516 Y517	R498-V502 HydrophobicContact CG-CG2 4.49Å; A500-V502 HydrophobicContact CB-CG2 3.74Å; V502-D504 HydrophobicContact CG1-CB 4.23Å; V502-S516 CarbonylContact O-C 3.59Å; V502-S516 WeakPolarHBondContact O-CA 3.33Å; V502-S516 WeakPolarHBondContact O-CB 3.27Å; V502-Y517 HydrophobicContact CB-CD1 4Å; V502-Y517 HydrophobicContact CB-CD2 4.39Å; V502-Y517 HydrophobicContact CB-CE1 3.56Å; V502-Y517 HydrophobicContact CB-CE2 3.97Å; V502-Y517 HydrophobicContact CB-CG 4.42Å; V502-Y517 HydrophobicContact CG1-CD1 4.39Å; V502-Y517 HydrophobicContact CG1-CE1 3.73Å; V502-Y517 HydrophobicContact CG2-CE1 4.09Å; V502-Y517 HydrophobicContact CG2-CE2 3.79Å; V502-Y517 PolarHBondContact N-O 2.85Å; V502-Y517 PolarHBondContact O-N 3.14Å
503	S	97.4	Very high	94.5	Very high	90 Å²	90	63.3 Å²	63.3	63%	0.629	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.1	164.6	-64.4	0	0	0	0	107.3	F515 S516	S503-F515 WeakPolarHBondContact CA-O 3.38Å; S503-S516 WeakPolarHBondContact CB-OG 3.04Å; S503-S516 PolarHBondContact OG-OG 2.77Å
504	D	96.9	Very high	94.6	Very high	66 Å²	66	64.6 Å²	64.6	35%	0.353	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	178.8	-174	-149.8	-20.9	0	0	0	110.3	V502 F514 F515	V502-D504 HydrophobicContact CG1-CB 4.23Å; D504-F514 WeakPolarHBondContact O-CA 3.42Å; D504-F515 HydrophobicContact CB-CE1 3.97Å; D504-F515 HydrophobicContact CB-CE2 4.09Å; D504-F515 HydrophobicContact CB-CZ 3.61Å; D504-F515 PolarHBondContact N-O 2.85Å; D504-F515 PolarHBondContact O-N 2.72Å
505	S	96.9	Very high	94.7	Very high	37 Å²	37	62 Å²	62	26%	0.259	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.7	-175.1	63.7	0	0	0	0	113.7	F513	S505-F513 CarbonylContact C-O 3.51Å; S505-F513 WeakPolarHBondContact CA-O 3.38Å; S505-F513 VanDerWaalsContact CB-O 3.29Å; S505-F513 WeakPolarHBondContact CB-O 3.47Å
506	C	96.1	Very high	94.9	Very high	7 Å²	7	60.2 Å²	60.2	5%	0.047	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.8	173.7	-50.8	0	0	0	0	108.7	C493 F495 F508 T512 F513	C493-C506 HydrophobicContact CB-CB 3.68Å; C493-C506 WeakPolarHBondContact CB-SG 3.42Å; C493-C506 WeakPolarHBondContact SG-CB 3.49Å; C493-C506 CovalentContact SG-SG 2.02Å; C493-C506 PolarHBondContact SG-SG 3Å; F495-C506 VanDerWaalsContact CE2-SG 3.53Å; F495-C506 WeakPolarHBondContact CZ-SG 3.33Å; C506-F508 HydrophobicContact CB-CD1 4.32Å; C506-F508 HydrophobicContact CB-CE1 3.52Å; C506-F508 HydrophobicContact CB-CZ 3.75Å; C506-T512 CarbonylContact O-C 3.55Å; C506-T512 WeakPolarHBondContact O-CA 3.48Å; C506-F513 HydrophobicContact CB-CB 4.42Å; C506-F513 HydrophobicContact CB-CD1 4.46Å; C506-F513 PolarHBondContact N-O 2.82Å; C506-F513 PolarHBondContact O-N 2.9Å
507	M	95.2	Very high	95	Very high	159 Å²	159	56 Å²	56	78%	0.783	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.1	172.8	-62.8	178	-177.7	0	0	108.6	T512	M507-T512 HydrophobicContact CG-CG2 4.27Å
508	F	91.8	Very high	95.1	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.127	30%	0.302	C	S	.	.			trans	-110	176.3	176	-55.7	-37.8	0	0	0	110	L423 V478 C506 H510 G511 F513	L423-F508 HydrophobicContact CD2-CD2 4.08Å; V478-F508 HydrophobicContact CB-CE2 3.85Å; V478-F508 HydrophobicContact CB-CZ 4.27Å; V478-F508 HydrophobicContact CG1-CE2 4.42Å; V478-F508 HydrophobicContact CG2-CE2 3.61Å; V478-F508 HydrophobicContact CG2-CZ 3.76Å; C506-F508 HydrophobicContact CB-CD1 4.32Å; C506-F508 HydrophobicContact CB-CE1 3.52Å; C506-F508 HydrophobicContact CB-CZ 3.75Å; F508-H510 PolarHBondContact O-N 2.72Å; F508-G511 PolarHBondContact N-O 2.78Å; F508-F513 HydrophobicContact CD2-CB 4.41Å; F508-F513 HydrophobicContact CE2-CB 3.5Å; F508-F513 HydrophobicContact CE2-CG 4.44Å; F508-F513 HydrophobicContact CZ-CB 3.82Å
509	N	86.8	Confident	95.3	Very high	158 Å²	158	51.2 Å²	51.2	85%	0.845	28%	0.282	S	S	*	.	S	Bend	trans	-57.2	-36.8	174.9	-67.4	-18.6	0	0	0	111.2
510	H	86.6	Confident	95.3	Very high	108 Å²	108	52.3 Å²	52.3	50%	0.5	29%	0.289	S	S	.	.	S	Bend	trans	-127.9	107.5	174	-55.7	-64.8	0	0	0	110.1	G422 F508	G422-H510 CarbonylContact O-C 3.54Å; G422-H510 VanDerWaalsContact O-C 3.31Å; F508-H510 PolarHBondContact O-N 2.72Å
511	G	91.9	Very high	95.4	Very high	22 Å²	22	51.3 Å²	51.3	23%	0.227	28%	0.28	C	S	.	.			trans	90.1	-176.7	174.3	0	0	0	0	0	115.4	R421 G422 F508	R421-G511 CarbonylContact O-C 3.31Å; R421-G511 WeakPolarHBondContact O-CA 3.45Å; G422-G511 WeakPolarHBondContact O-CA 3.5Å; G422-G511 PolarHBondContact O-N 3.47Å; F508-G511 PolarHBondContact N-O 2.78Å
512	T	96.7	Very high	95.3	Very high	33 Å²	33	45.5 Å²	45.5	20%	0.202	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128	179.5	-57	0	0	0	0	109.7	A420 R421 C506 M507 F514	A420-T512 CarbonylContact C-O 3.51Å; A420-T512 VanDerWaalsContact CA-O 3.24Å; A420-T512 WeakPolarHBondContact CA-O 3.49Å; R421-T512 PolarHBondContact N-O 3.02Å; R421-T512 PolarHBondContact O-N 2.87Å; C506-T512 CarbonylContact O-C 3.55Å; C506-T512 WeakPolarHBondContact O-CA 3.48Å; M507-T512 HydrophobicContact CG-CG2 4.27Å; T512-F514 HydrophobicContact CG2-CD2 4.2Å; T512-F514 HydrophobicContact CG2-CE1 4.06Å; T512-F514 HydrophobicContact CG2-CE2 3.61Å; T512-F514 HydrophobicContact CG2-CZ 3.52Å; T512-F514 WeakPolarHBondContact O-CE2 3.43Å
513	F	97.7	Very high	95.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.7	171.8	173	-110.9	0	0	0	110.2	L418 Y419 A420 V435 W457 F476 V478 S505 C506 F508 F515	L418-F513 HydrophobicContact CB-CE2 4.12Å; L418-F513 HydrophobicContact CB-CZ 4.24Å; L418-F513 HydrophobicContact CD2-CZ 3.91Å; L418-F513 HydrophobicContact CG-CZ 4.48Å; Y419-F513 WeakPolarHBondContact O-CD2 3.32Å; A420-F513 HydrophobicContact CB-CD2 4.34Å; V435-F513 HydrophobicContact CG1-CE1 4.44Å; V435-F513 HydrophobicContact CG1-CE2 4.18Å; V435-F513 HydrophobicContact CG1-CZ 3.77Å; V435-F513 HydrophobicContact CG2-CD2 4.38Å; V435-F513 HydrophobicContact CG2-CE2 3.71Å; V435-F513 HydrophobicContact CG2-CZ 4.18Å; W457-F513 HydrophobicContact CE3-CE2 4.23Å; W457-F513 HydrophobicContact CH2-CD2 4.48Å; W457-F513 AromaticContact CZ3-CD2 3.88Å; W457-F513 HydrophobicContact CZ3-CD2 3.88Å; W457-F513 AromaticContact CZ3-CE2 3.7Å; W457-F513 HydrophobicContact CZ3-CE2 3.7Å; F476-F513 HydrophobicContact CB-CD1 4.36Å; F476-F513 HydrophobicContact CB-CE1 3.8Å; F476-F513 AromaticContact CD1-CE1 3.56Å; F476-F513 HydrophobicContact CD1-CE1 3.56Å; F476-F513 AromaticContact CD1-CZ 3.86Å; F476-F513 HydrophobicContact CD1-CZ 3.86Å; F476-F513 HydrophobicContact CD2-CE1 4.34Å; F476-F513 HydrophobicContact CE1-CE1 4.17Å; F476-F513 HydrophobicContact CE1-CZ 4.33Å; F476-F513 AromaticContact CG-CE1 3.65Å; F476-F513 HydrophobicContact CG-CE1 3.65Å; F476-F513 HydrophobicContact CG-CZ 4.39Å; V478-F513 HydrophobicContact CG2-CB 4.26Å; V478-F513 HydrophobicContact CG2-CD1 4.25Å; V478-F513 HydrophobicContact CG2-CD2 4.12Å; V478-F513 HydrophobicContact CG2-CG 3.94Å; S505-F513 CarbonylContact C-O 3.51Å; S505-F513 WeakPolarHBondContact CA-O 3.38Å; S505-F513 VanDerWaalsContact CB-O 3.29Å; S505-F513 WeakPolarHBondContact CB-O 3.47Å; C506-F513 HydrophobicContact CB-CB 4.42Å; C506-F513 HydrophobicContact CB-CD1 4.46Å; C506-F513 PolarHBondContact N-O 2.82Å; C506-F513 PolarHBondContact O-N 2.9Å; F508-F513 HydrophobicContact CD2-CB 4.41Å; F508-F513 HydrophobicContact CE2-CB 3.5Å; F508-F513 HydrophobicContact CE2-CG 4.44Å; F508-F513 HydrophobicContact CZ-CB 3.82Å; F513-F515 HydrophobicContact CD1-CD1 4.17Å; F513-F515 HydrophobicContact CE1-CB 3.95Å; F513-F515 AromaticContact CE1-CD1 3.9Å; F513-F515 HydrophobicContact CE1-CD1 3.9Å; F513-F515 HydrophobicContact CE1-CG 4.29Å; F513-F515 HydrophobicContact CZ-CB 4.11Å
514	F	98.3	Very high	95	Very high	47 Å²	47	44.3 Å²	44.3	21%	0.206	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.9	-179.5	-62.1	-93.8	0	0	0	109.5	L418 Y419 R421 D504 T512	L418-F514 WeakPolarHBondContact CA-O 3.47Å; Y419-F514 HydrophobicContact CD1-CB 3.72Å; Y419-F514 HydrophobicContact CD2-CB 4.09Å; Y419-F514 AromaticContact CD2-CD2 3.77Å; Y419-F514 HydrophobicContact CD2-CD2 3.77Å; Y419-F514 HydrophobicContact CD2-CG 4.2Å; Y419-F514 HydrophobicContact CE1-CB 3.3Å; Y419-F514 HydrophobicContact CE1-CD2 4.5Å; Y419-F514 AromaticContact CE1-CG 3.97Å; Y419-F514 HydrophobicContact CE1-CG 3.97Å; Y419-F514 HydrophobicContact CE2-CB 3.71Å; Y419-F514 HydrophobicContact CE2-CD1 4.33Å; Y419-F514 AromaticContact CE2-CD2 3.28Å; Y419-F514 HydrophobicContact CE2-CD2 3.28Å; Y419-F514 AromaticContact CE2-CE2 3.95Å; Y419-F514 HydrophobicContact CE2-CE2 3.95Å; Y419-F514 AromaticContact CE2-CG 3.52Å; Y419-F514 HydrophobicContact CE2-CG 3.52Å; Y419-F514 HydrophobicContact CG-CB 4.1Å; Y419-F514 AromaticContact CZ-CD1 3.96Å; Y419-F514 AromaticContact CZ-CD2 3.71Å; Y419-F514 AromaticContact CZ-CG 3.38Å; Y419-F514 PolarHBondContact N-O 3.03Å; Y419-F514 WeakPolarHBondContact O-CA 3.36Å; Y419-F514 PolarHBondContact O-N 3.19Å; Y419-F514 WeakPolarHBondContact OH-CG 3.25Å; R421-F514 HydrophobicContact CB-CE2 4.4Å; R421-F514 HydrophobicContact CG-CE2 4.14Å; D504-F514 WeakPolarHBondContact O-CA 3.42Å; T512-F514 HydrophobicContact CG2-CD2 4.2Å; T512-F514 HydrophobicContact CG2-CE1 4.06Å; T512-F514 HydrophobicContact CG2-CE2 3.61Å; T512-F514 HydrophobicContact CG2-CZ 3.52Å; T512-F514 WeakPolarHBondContact O-CE2 3.43Å
515	F	98	Very high	95	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167.6	179.2	64.6	-84.6	0	0	0	111.2	K417 L418 F476 F495 S503 D504 F513 Y517	K417-F515 WeakPolarHBondContact O-CA 3.37Å; L418-F515 HydrophobicContact CD2-CB 3.47Å; L418-F515 VanDerWaalsContact CD2-CB 3.47Å; F476-F515 HydrophobicContact CD2-CD1 4.26Å; F476-F515 HydrophobicContact CD2-CE1 4.28Å; F476-F515 HydrophobicContact CD2-CG 4.41Å; F476-F515 HydrophobicContact CD2-CZ 4.41Å; F476-F515 HydrophobicContact CE1-CB 4.08Å; F476-F515 HydrophobicContact CE1-CD2 4.4Å; F476-F515 HydrophobicContact CE1-CG 4.2Å; F476-F515 HydrophobicContact CE2-CB 4.45Å; F476-F515 AromaticContact CE2-CD1 3.93Å; F476-F515 HydrophobicContact CE2-CD1 3.93Å; F476-F515 AromaticContact CE2-CD2 3.5Å; F476-F515 HydrophobicContact CE2-CD2 3.5Å; F476-F515 AromaticContact CE2-CE1 3.99Å; F476-F515 HydrophobicContact CE2-CE1 3.99Å; F476-F515 AromaticContact CE2-CE2 3.55Å; F476-F515 HydrophobicContact CE2-CE2 3.55Å; F476-F515 AromaticContact CE2-CG 3.7Å; F476-F515 HydrophobicContact CE2-CG 3.7Å; F476-F515 AromaticContact CE2-CZ 3.79Å; F476-F515 HydrophobicContact CE2-CZ 3.79Å; F476-F515 HydrophobicContact CZ-CB 3.89Å; F476-F515 HydrophobicContact CZ-CD1 4.23Å; F476-F515 AromaticContact CZ-CD2 3.4Å; F476-F515 HydrophobicContact CZ-CD2 3.4Å; F476-F515 AromaticContact CZ-CE2 3.93Å; F476-F515 HydrophobicContact CZ-CE2 3.93Å; F476-F515 AromaticContact CZ-CG 3.57Å; F476-F515 HydrophobicContact CZ-CG 3.57Å; F495-F515 HydrophobicContact CD1-CZ 4.25Å; F495-F515 HydrophobicContact CD2-CE1 4.17Å; F495-F515 HydrophobicContact CD2-CE2 4.32Å; F495-F515 AromaticContact CD2-CZ 3.55Å; F495-F515 HydrophobicContact CD2-CZ 3.55Å; F495-F515 HydrophobicContact CE1-CE1 4.4Å; F495-F515 AromaticContact CE1-CZ 4Å; F495-F515 HydrophobicContact CE1-CZ 4Å; F495-F515 AromaticContact CE2-CE1 3.42Å; F495-F515 HydrophobicContact CE2-CE1 3.42Å; F495-F515 VanDerWaalsContact CE2-CE1 3.42Å; F495-F515 HydrophobicContact CE2-CE2 4.35Å; F495-F515 AromaticContact CE2-CZ 3.25Å; F495-F515 HydrophobicContact CE2-CZ 3.25Å; F495-F515 HydrophobicContact CG-CZ 4.05Å; F495-F515 AromaticContact CZ-CE1 3.56Å; F495-F515 HydrophobicContact CZ-CE1 3.56Å; F495-F515 AromaticContact CZ-CZ 3.5Å; F495-F515 HydrophobicContact CZ-CZ 3.5Å; S503-F515 WeakPolarHBondContact CA-O 3.38Å; D504-F515 HydrophobicContact CB-CE1 3.97Å; D504-F515 HydrophobicContact CB-CE2 4.09Å; D504-F515 HydrophobicContact CB-CZ 3.61Å; D504-F515 PolarHBondContact N-O 2.85Å; D504-F515 PolarHBondContact O-N 2.72Å; F513-F515 HydrophobicContact CD1-CD1 4.17Å; F513-F515 HydrophobicContact CE1-CB 3.95Å; F513-F515 AromaticContact CE1-CD1 3.9Å; F513-F515 HydrophobicContact CE1-CD1 3.9Å; F513-F515 HydrophobicContact CE1-CG 4.29Å; F513-F515 HydrophobicContact CZ-CB 4.11Å; F515-Y517 HydrophobicContact CD2-CD1 4.19Å; F515-Y517 AromaticContact CE2-CD1 3.78Å; F515-Y517 HydrophobicContact CE2-CD1 3.78Å; F515-Y517 HydrophobicContact CE2-CE1 4.11Å
516	S	98.3	Very high	94.9	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.9	164.7	-57.9	0	0	0	0	110.6	V415 Y416 V502 S503	V415-S516 WeakPolarHBondContact CA-O 3Å; Y416-S516 PolarHBondContact N-O 3.33Å; Y416-S516 CarbonylContact O-C 3.6Å; Y416-S516 WeakPolarHBondContact O-CA 3.49Å; Y416-S516 PolarHBondContact O-N 2.89Å; V502-S516 CarbonylContact O-C 3.59Å; V502-S516 WeakPolarHBondContact O-CA 3.33Å; V502-S516 WeakPolarHBondContact O-CB 3.27Å; S503-S516 WeakPolarHBondContact CB-OG 3.04Å; S503-S516 PolarHBondContact OG-OG 2.77Å
517	Y	97.3	Very high	94.8	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157	169.8	71	-98.3	0	0	0	111.5	L413 K414 L474 L497 N501 V502 F515 V519	L413-Y517 HydrophobicContact CD1-CD2 4.26Å; L413-Y517 HydrophobicContact CD1-CG 4.46Å; K414-Y517 CarbonylContact O-C 3.56Å; K414-Y517 WeakPolarHBondContact O-CA 3.28Å; K414-Y517 WeakPolarHBondContact O-CB 3.35Å; L474-Y517 HydrophobicContact CD2-CD1 3.8Å; L474-Y517 HydrophobicContact CD2-CE1 4.38Å; L474-Y517 HydrophobicContact CD2-CG 4.1Å; L497-Y517 HydrophobicContact CD2-CD2 3.97Å; L497-Y517 HydrophobicContact CD2-CE1 4.41Å; L497-Y517 HydrophobicContact CD2-CE2 3.78Å; L497-Y517 HydrophobicContact CD2-CG 4.37Å; N501-Y517 WeakPolarHBondContact CA-O 3.35Å; V502-Y517 HydrophobicContact CB-CD1 4Å; V502-Y517 HydrophobicContact CB-CD2 4.39Å; V502-Y517 HydrophobicContact CB-CE1 3.56Å; V502-Y517 HydrophobicContact CB-CE2 3.97Å; V502-Y517 HydrophobicContact CB-CG 4.42Å; V502-Y517 HydrophobicContact CG1-CD1 4.39Å; V502-Y517 HydrophobicContact CG1-CE1 3.73Å; V502-Y517 HydrophobicContact CG2-CE1 4.09Å; V502-Y517 HydrophobicContact CG2-CE2 3.79Å; V502-Y517 PolarHBondContact N-O 2.85Å; V502-Y517 PolarHBondContact O-N 3.14Å; F515-Y517 HydrophobicContact CD2-CD1 4.19Å; F515-Y517 AromaticContact CE2-CD1 3.78Å; F515-Y517 HydrophobicContact CE2-CD1 3.78Å; F515-Y517 HydrophobicContact CE2-CE1 4.11Å; Y517-V519 HydrophobicContact CD2-CG2 3.95Å; Y517-V519 HydrophobicContact CE2-CG2 4.05Å
518	S	97.2	Very high	94.8	Very high	23 Å²	23	36.3 Å²	36.3	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.2	170.7	61.6	0	0	0	0	109.8	K414 A500 N501	K414-S518 PolarHBondContact N-O 3.27Å; K414-S518 PolarHBondContact O-N 3.48Å; A500-S518 WeakPolarHBondContact O-CA 3.44Å; N501-S518 WeakPolarHBondContact OD1-CB 3.36Å
519	V	96.6	Very high	94.9	Very high	10 Å²	10	38 Å²	38	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.3	174.6	168.5	0	0	0	0	109.4	A411 T412 L413 I468 L497 R498 A500 Y517	A411-V519 HydrophobicContact CB-CG1 3.93Å; T412-V519 WeakPolarHBondContact O-CA 3.4Å; L413-V519 HydrophobicContact CD1-CG2 3.9Å; I468-V519 HydrophobicContact CD1-CG1 3.57Å; L497-V519 HydrophobicContact CB-CG2 4.41Å; L497-V519 HydrophobicContact CD1-CG2 4.31Å; L497-V519 HydrophobicContact CD2-CG2 4.23Å; R498-V519 WeakPolarHBondContact O-CB 3.31Å; A500-V519 PolarHBondContact O-N 2.02Å; Y517-V519 HydrophobicContact CD2-CG2 3.95Å; Y517-V519 HydrophobicContact CE2-CG2 4.05Å
520	E	95.1	Very high	95.4	Very high	132 Å²	132	30.5 Å²	30.5	62%	0.617	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.8	173.7	-173.3	-179.7	176	0	0	109.5	A411 T412	A411-E520 CarbonylContact C-O 3.44Å; A411-E520 WeakPolarHBondContact CA-O 3.15Å; A411-E520 WeakPolarHBondContact CB-O 3.27Å; T412-E520 PolarHBondContact N-O 2.9Å; T412-E520 PolarHBondContact O-N 3.03Å
521	C	96.1	Very high	95.8	Very high	15 Å²	15	28.1 Å²	28.1	10%	0.101	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	151.4	179.4	-59.7	0	0	0	0	111.6	K499 L525 C530	K499-C521 VanDerWaalsContact CD-SG 3.58Å; C521-L525 HydrophobicContact CB-CB 4.03Å; C521-L525 WeakPolarHBondContact CB-O 3.48Å; C521-C530 WeakPolarHBondContact CA-SG 3.29Å; C521-C530 HydrophobicContact CB-CB 3.64Å; C521-C530 WeakPolarHBondContact CB-SG 3.43Å; C521-C530 WeakPolarHBondContact SG-CA 3.23Å; C521-C530 WeakPolarHBondContact SG-CB 3.24Å; C521-C530 CovalentContact SG-SG 2.04Å; C521-C530 PolarHBondContact SG-SG 2.83Å
522	A	94.9	Very high	96	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.033	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-59.5	156.3	168.6	0	0	0	0	0	110.7	N398 P405 L410 S524 L525	N398-A522 HydrophobicContact CB-CB 3.94Å; P405-A522 HydrophobicContact CB-CB 4.34Å; L410-A522 HydrophobicContact CB-CB 3.83Å; L410-A522 WeakPolarHBondContact O-CB 3.38Å; L410-A522 PolarHBondContact O-N 2.92Å; A522-S524 PolarHBondContact O-N 3.07Å; A522-L525 HydrophobicContact CB-CD1 3.85Å; A522-L525 HydrophobicContact CB-CG 4.41Å; A522-L525 WeakPolarHBondContact O-CB 3.01Å; A522-L525 PolarHBondContact O-N 2.88Å
523	P	92.7	Very high	96	Very high	43 Å²	43	32.8 Å²	32.8	28%	0.279	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	140.1	176.1	-28.4	34.6	0	0	0	112.7	I379 V399 P405 L525	I379-P523 HydrophobicContact CD1-CB 3.57Å; I379-P523 HydrophobicContact CD1-CG 3.37Å; V399-P523 HydrophobicContact CG2-CG 3.83Å; P405-P523 VanDerWaalsContact CD-O 3.27Å; P405-P523 WeakPolarHBondContact CD-O 3.49Å; P405-P523 VanDerWaalsContact CG-O 3.29Å; P405-P523 WeakPolarHBondContact CG-O 3.06Å; P523-L525 PolarHBondContact O-N 3.3Å
524	S	94.3	Very high	95.8	Very high	28 Å²	28	36.7 Å²	36.7	20%	0.196	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	12.3	-176.1	-54.4	0	0	0	0	115.9	A522 I534	A522-S524 PolarHBondContact O-N 3.07Å; S524-I534 PolarHBondContact O-N 2.94Å
525	L	96.3	Very high	95.6	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.8	172.6	-58.8	-178.4	0	0	0	112.4	M244 P405 G407 L410 C521 A522 P523 C530 E532	M244-L525 HydrophobicContact CG-CD2 3.88Å; M244-L525 HydrophobicContact SD-CD2 3.34Å; M244-L525 WeakPolarHBondContact SD-CD2 3.43Å; P405-L525 HydrophobicContact CB-CD1 3.82Å; P405-L525 HydrophobicContact CB-CD2 4.09Å; P405-L525 HydrophobicContact CB-CG 3.8Å; P405-L525 HydrophobicContact CG-CD1 4.44Å; P405-L525 HydrophobicContact CG-CD2 3.81Å; P405-L525 HydrophobicContact CG-CG 3.92Å; G407-L525 WeakPolarHBondContact O-CD1 3.46Å; L410-L525 HydrophobicContact CB-CD1 3.9Å; C521-L525 HydrophobicContact CB-CB 4.03Å; C521-L525 WeakPolarHBondContact CB-O 3.48Å; A522-L525 HydrophobicContact CB-CD1 3.85Å; A522-L525 HydrophobicContact CB-CG 4.41Å; A522-L525 WeakPolarHBondContact O-CB 3.01Å; A522-L525 PolarHBondContact O-N 2.88Å; P523-L525 PolarHBondContact O-N 3.3Å; L525-C530 HydrophobicContact CB-CB 4.38Å; L525-C530 VanDerWaalsContact CD1-O 3.31Å; L525-C530 WeakPolarHBondContact CD1-O 3.31Å; L525-E532 CarbonylContact C-O 3.55Å; L525-E532 WeakPolarHBondContact CA-O 3.33Å
526	G	95.1	Very high	95.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	-160.3	-179	0	0	0	0	0	112.5	C530 D531 E532	G526-C530 CarbonylContact O-C 3.6Å; G526-C530 VanDerWaalsContact O-C 3.29Å; G526-C530 WeakPolarHBondContact O-CA 3.45Å; G526-C530 PolarHBondContact O-N 3.34Å; G526-D531 PolarHBondContact O-N 2.99Å; G526-E532 PolarHBondContact N-O 2.93Å; G526-E532 PolarHBondContact O-N 3Å
527	G	95	Very high	95	Very high	19 Å²	19	42.5 Å²	42.5	20%	0.196	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	174	-169.7	0	0	0	0	0	113	R529 E532	G527-R529 PolarHBondContact O-N 3.21Å; G527-E532 WeakPolarHBondContact CA-OE1 3.29Å; G527-E532 WeakPolarHBondContact CA-OE2 3.36Å; G527-E532 PolarHBondContact N-OE2 2.89Å
528	S	94.3	Very high	94.7	Very high	72 Å²	72	42.7 Å²	42.7	50%	0.503	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.6	179	61.8	0	0	0	0	112.2	R498 K499	R498-S528 CarbonylContact C-O 3.48Å; R498-S528 WeakPolarHBondContact CA-O 3.49Å; K499-S528 PolarHBondContact N-O 3.04Å
529	R	94.7	Very high	94.4	Very high	65 Å²	65	45.1 Å²	45.1	25%	0.245	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	10.5	-175.6	-61.7	176	70	-161.7	2.1	113.9	G409 I468 N469 M470 G527 D531	G409-R529 WeakPolarHBondContact CA-O 3.45Å; I468-R529 WeakPolarHBondContact CB-O 3.5Å; I468-R529 HydrophobicContact CG2-CB 3.96Å; I468-R529 HydrophobicContact CG2-CG 4.24Å; N469-R529 PolarHBondContact O-NH2 2.86Å; N469-R529 VanDerWaalsContact O-NH2 3.14Å; M470-R529 VanDerWaalsContact N-NH2 3.11Å; G527-R529 PolarHBondContact O-N 3.21Å; R529-D531 PolarHBondContact O-N 3.08Å
530	C	96.5	Very high	94	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	28.2	-177.8	-54.3	0	0	0	0	113.6	G409 A411 I468 C521 L525 G526	G409-C530 VanDerWaalsContact CA-O 3.23Å; G409-C530 WeakPolarHBondContact CA-O 3.36Å; G409-C530 PolarHBondContact N-O 3.1Å; A411-C530 HydrophobicContact CB-CB 4.43Å; I468-C530 HydrophobicContact CD1-CB 4.4Å; C521-C530 WeakPolarHBondContact CA-SG 3.29Å; C521-C530 HydrophobicContact CB-CB 3.64Å; C521-C530 WeakPolarHBondContact CB-SG 3.43Å; C521-C530 WeakPolarHBondContact SG-CA 3.23Å; C521-C530 WeakPolarHBondContact SG-CB 3.24Å; C521-C530 CovalentContact SG-SG 2.04Å; C521-C530 PolarHBondContact SG-SG 2.83Å; L525-C530 HydrophobicContact CB-CB 4.38Å; L525-C530 VanDerWaalsContact CD1-O 3.31Å; L525-C530 WeakPolarHBondContact CD1-O 3.31Å; G526-C530 CarbonylContact O-C 3.6Å; G526-C530 VanDerWaalsContact O-C 3.29Å; G526-C530 WeakPolarHBondContact O-CA 3.45Å; G526-C530 PolarHBondContact O-N 3.34Å
531	D	94.7	Very high	93.7	Very high	58 Å²	58	47 Å²	47	31%	0.31	28%	0.28	S	S	.	.			trans	-110.2	-5.6	-176.9	57.9	-14.9	0	0	0	113.8	K408 G526 R529	K408-D531 HydrophobicContact CB-CB 4.11Å; G526-D531 PolarHBondContact O-N 2.99Å; R529-D531 PolarHBondContact O-N 3.08Å
532	E	95.9	Very high	93.3	Very high	110 Å²	110	48 Å²	48	51%	0.514	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141	173.8	-63.4	168.8	-158.9	0	0	110.8	L525 G526 G527	L525-E532 CarbonylContact C-O 3.55Å; L525-E532 WeakPolarHBondContact CA-O 3.33Å; G526-E532 PolarHBondContact N-O 2.93Å; G526-E532 PolarHBondContact O-N 3Å; G527-E532 WeakPolarHBondContact CA-OE1 3.29Å; G527-E532 WeakPolarHBondContact CA-OE2 3.36Å; G527-E532 PolarHBondContact N-OE2 2.89Å
533	Y	96.3	Very high	92.8	Very high	42 Å²	42	50.5 Å²	50.5	17%	0.165	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.5	174.4	178.2	-107.1	0	0	0	111.2	D164 C240 K241 M244	D164-Y533 PolarHBondContact OD1-OH 3.14Å; D164-Y533 WeakPolarHBondContact OD2-CE1 2.96Å; D164-Y533 VanDerWaalsContact OD2-CZ 3.31Å; D164-Y533 PolarHBondContact OD2-OH 2.79Å; C240-Y533 HydrophobicContact CB-CE2 3.79Å; K241-Y533 HydrophobicContact CB-CD1 4.13Å; K241-Y533 HydrophobicContact CB-CD2 3.89Å; K241-Y533 HydrophobicContact CB-CE1 4.11Å; K241-Y533 HydrophobicContact CB-CE2 3.87Å; K241-Y533 HydrophobicContact CB-CG 4.01Å; K241-Y533 HydrophobicContact CD-CD1 4.21Å; K241-Y533 HydrophobicContact CD-CG 4.46Å; K241-Y533 HydrophobicContact CG-CD1 4.3Å; K241-Y533 HydrophobicContact CG-CD2 4.38Å; K241-Y533 HydrophobicContact CG-CG 4.11Å; M244-Y533 HydrophobicContact SD-CD2 4.46Å
534	I	95.4	Very high	92.2	Very high	83 Å²	83	57.6 Å²	57.6	43%	0.426	33%	0.325	S	S	.	.			trans	-112.7	119.1	173.8	-57.4	-62.2	0	0	0	109	S524	S524-I534 PolarHBondContact O-N 2.94Å
535	S	93.7	Very high	91.7	Very high	58 Å²	58	61.1 Å²	61.1	41%	0.406	34%	0.338	S	S	.	.			trans	-67.4	153.7	176.7	53.9	0	0	0	0	111.9	D164 P537	D164-S535 WeakPolarHBondContact OD2-CB 3.4Å; S535-P537 WeakPolarHBondContact O-CD 3.45Å
536	S	91.1	Very high	91.5	Very high	43 Å²	43	61 Å²	61	30%	0.301	34%	0.338	S	S	.	.			trans	-114.9	71.3	175.3	-177.3	0	0	0	0	110.4	D164 R549	D164-S536 PolarHBondContact OD1-N 3.32Å; S536-R549 PolarHBondContact O-NH2 2.84Å; S536-R549 PolarHBondContact OG-NH2 2.89Å
537	P	92.8	Very high	91.3	Very high	73 Å²	73	63.5 Å²	63.5	47%	0.474	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-64.4	151.3	176.6	29.8	-35.4	0	0	0	110.7	S163 S535	S163-P537 VanDerWaalsContact O-CA 3.29Å; S163-P537 WeakPolarHBondContact O-CA 3.31Å; S163-P537 WeakPolarHBondContact O-CB 3.35Å; S535-P537 WeakPolarHBondContact O-CD 3.45Å
538	M	90.8	Very high	91.1	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.039	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-63.8	141.3	173.8	-175.2	171.3	-157.1	0	0	110.5	K162 L542 T543 F546	K162-M538 HydrophobicContact CG-SD 3.99Å; K162-M538 WeakPolarHBondContact O-CB 3.35Å; K162-M538 PolarHBondContact O-N 3Å; M538-L542 HydrophobicContact CE-CB 3.63Å; M538-L542 HydrophobicContact CE-CD1 4.5Å; M538-L542 HydrophobicContact CG-CB 4.27Å; M538-T543 HydrophobicContact CG-CG2 4.36Å; M538-T543 HydrophobicContact SD-CG2 4.47Å; M538-F546 HydrophobicContact CE-CB 3.36Å; M538-F546 HydrophobicContact CE-CD1 4.35Å; M538-F546 HydrophobicContact CE-CD2 3.84Å; M538-F546 HydrophobicContact CE-CG 3.59Å; M538-F546 HydrophobicContact SD-CB 4.39Å
539	D	89.6	Confident	91	Very high	73 Å²	73	60.8 Å²	60.8	39%	0.39	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-56.1	128.5	175.7	-171.6	-68.1	0	0	0	111.1	S541 L542 T543	D539-S541 PolarHBondContact O-N 2.84Å; D539-S541 VanDerWaalsContact O-N 3.11Å; D539-S541 VanDerWaalsContact OD1-CB 3.22Å; D539-S541 WeakPolarHBondContact OD1-CB 3.39Å; D539-S541 PolarHBondContact OD1-N 2.9Å; D539-S541 PolarHBondContact OD1-OG 3.07Å; D539-L542 HydrophobicContact CB-CD1 4.09Å; D539-L542 HydrophobicContact CB-CG 4.13Å; D539-L542 PolarHBondContact O-N 2.76Å; D539-T543 PolarHBondContact O-N 2.91Å
540	P	88.9	Confident	90.9	Very high	99 Å²	99	58.5 Å²	58.5	64%	0.643	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.3	-179.1	-29	35.9	0	0	0	114.5	L542 T543	P540-L542 VanDerWaalsContact C-N 3.3Å; P540-L542 PolarHBondContact O-N 3.48Å; P540-T543 PolarHBondContact O-N 2.65Å; P540-T543 PolarHBondContact O-OG1 2.88Å
541	S	88.8	Confident	90.6	Very high	84 Å²	84	58.5 Å²	58.5	59%	0.587	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-33.7	176.9	68.2	0	0	0	0	112.6	D539	D539-S541 PolarHBondContact O-N 2.84Å; D539-S541 VanDerWaalsContact O-N 3.11Å; D539-S541 VanDerWaalsContact OD1-CB 3.22Å; D539-S541 WeakPolarHBondContact OD1-CB 3.39Å; D539-S541 PolarHBondContact OD1-N 2.9Å; D539-S541 PolarHBondContact OD1-OG 3.07Å
542	L	88.3	Confident	90.4	Very high	35 Å²	35	55.8 Å²	55.8	18%	0.183	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-80.6	-22.4	-179.8	-59.5	178.4	0	0	0	112.6	E375 M538 D539 P540 K544 E545 F546	E375-L542 HydrophobicContact CG-CD1 3.77Å; M538-L542 HydrophobicContact CE-CB 3.63Å; M538-L542 HydrophobicContact CE-CD1 4.5Å; M538-L542 HydrophobicContact CG-CB 4.27Å; D539-L542 HydrophobicContact CB-CD1 4.09Å; D539-L542 HydrophobicContact CB-CG 4.13Å; D539-L542 PolarHBondContact O-N 2.76Å; P540-L542 VanDerWaalsContact C-N 3.3Å; P540-L542 PolarHBondContact O-N 3.48Å; L542-K544 PolarHBondContact O-N 2.86Å; L542-E545 PolarHBondContact O-N 3.31Å; L542-F546 HydrophobicContact CB-CD2 4.11Å; L542-F546 HydrophobicContact CD2-CD2 4.48Å; L542-F546 HydrophobicContact CD2-CE2 4.25Å; L542-F546 PolarHBondContact O-N 3.45Å
543	T	83	Confident	90.1	Very high	57 Å²	57	51.7 Å²	51.7	35%	0.35	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-59.9	-21.3	-178.6	65.2	0	0	0	0	114.2	M538 D539 P540	M538-T543 HydrophobicContact CG-CG2 4.36Å; M538-T543 HydrophobicContact SD-CG2 4.47Å; D539-T543 PolarHBondContact O-N 2.91Å; P540-T543 PolarHBondContact O-N 2.65Å; P540-T543 PolarHBondContact O-OG1 2.88Å
544	K	81.9	Confident	89.4	Confident	191 Å²	191	50.3 Å²	50.3	83%	0.83	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-83.6	-32.7	176.1	-65.3	-178.3	-179.4	177.9	0	113.4	L542	L542-K544 PolarHBondContact O-N 2.86Å
545	E	83.8	Confident	88.2	Confident	103 Å²	103	47.4 Å²	47.4	48%	0.481	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-36.2	-179.5	-174.2	-179.8	160.1	0	0	111.3	K372 L542	K372-E545 IonicContact NZ-OE1 3.33Å; K372-E545 PolarHBondContact NZ-OE1 3.34Å; L542-E545 PolarHBondContact O-N 3.31Å
546	F	90.4	Very high	86.5	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.035	28%	0.277	C	S	.	.			trans	-99.7	131	-174.4	-75	-93.1	0	0	0	112.1	K162 K372 M538 L542 T548 G551 V552	K162-F546 VanDerWaalsContact CE-O 3.27Å; K162-F546 WeakPolarHBondContact CE-O 3.31Å; K162-F546 PolarHBondContact NZ-O 3.07Å; K372-F546 HydrophobicContact CB-CE1 4.01Å; K372-F546 HydrophobicContact CD-CE1 4.05Å; K372-F546 HydrophobicContact CD-CZ 3.95Å; K372-F546 HydrophobicContact CG-CE1 3.99Å; K372-F546 HydrophobicContact CG-CZ 4.15Å; K372-F546 WeakPolarHBondContact O-CE1 3.19Å; M538-F546 HydrophobicContact CE-CB 3.36Å; M538-F546 HydrophobicContact CE-CD1 4.35Å; M538-F546 HydrophobicContact CE-CD2 3.84Å; M538-F546 HydrophobicContact CE-CG 3.59Å; M538-F546 HydrophobicContact SD-CB 4.39Å; L542-F546 HydrophobicContact CB-CD2 4.11Å; L542-F546 HydrophobicContact CD2-CD2 4.48Å; L542-F546 HydrophobicContact CD2-CE2 4.25Å; L542-F546 PolarHBondContact O-N 3.45Å; F546-T548 WeakPolarHBondContact CB-O 3.21Å; F546-G551 CarbonylContact C-O 3.43Å; F546-V552 HydrophobicContact CD1-CG1 3.61Å; F546-V552 HydrophobicContact CE1-CG1 3.65Å; F546-V552 HydrophobicContact CG-CG1 4.11Å; F546-V552 HydrophobicContact CZ-CG1 4.21Å
547	Y	91.1	Very high	84.7	Confident	53 Å²	53	49.5 Å²	49.5	21%	0.208	27%	0.27	C	S	.	.	S	Bend	trans	-79	-39.8	178	-170.9	-118.4	0	0	0	111.4	H150 M158 K162 V369 G551 L553	H150-Y547 PolarHBondContact CD2-OH 3.16Å; H150-Y547 VanDerWaalsContact CD2-OH 3.25Å; H150-Y547 AromaticContact CE1-CE1 3.91Å; H150-Y547 AromaticContact CE1-CZ 3.78Å; H150-Y547 AromaticContact NE2-CZ 3.69Å; H150-Y547 PolarHBondContact NE2-OH 3.18Å; M158-Y547 HydrophobicContact CE-CD1 3.87Å; M158-Y547 HydrophobicContact CE-CE1 3.52Å; M158-Y547 HydrophobicContact SD-CD1 3.6Å; M158-Y547 VanDerWaalsContact SD-CD1 3.6Å; M158-Y547 HydrophobicContact SD-CE1 3.14Å; M158-Y547 WeakPolarHBondContact SD-CE1 3.4Å; K162-Y547 WeakPolarHBondContact CE-O 3.49Å; K162-Y547 PolarHBondContact NZ-O 2.89Å; V369-Y547 HydrophobicContact CG2-CD1 3.59Å; V369-Y547 HydrophobicContact CG2-CE1 3.95Å; Y547-G551 PolarHBondContact N-O 2.83Å; Y547-L553 HydrophobicContact CD1-CD2 3.73Å; Y547-L553 HydrophobicContact CD1-CG 4.09Å; Y547-L553 HydrophobicContact CD2-CD1 3.73Å; Y547-L553 HydrophobicContact CD2-CD2 4.31Å; Y547-L553 HydrophobicContact CD2-CG 3.92Å; Y547-L553 HydrophobicContact CE1-CD2 4Å; Y547-L553 HydrophobicContact CE2-CD1 4.1Å; Y547-L553 HydrophobicContact CG-CD1 4.05Å; Y547-L553 HydrophobicContact CG-CD2 3.88Å; Y547-L553 HydrophobicContact CG-CG 3.69Å
548	T	92	Very high	82.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-118.3	-178.4	173.3	72	0	0	0	0	109.7	V113 E114 M158 V369 F546 N550 G551	V113-T548 HydrophobicContact CG1-CG2 4.13Å; E114-T548 WeakPolarHBondContact OE1-CB 3.5Å; E114-T548 PolarHBondContact OE1-OG1 2.99Å; M158-T548 HydrophobicContact CB-CG2 4.46Å; M158-T548 HydrophobicContact CE-CG2 3.6Å; M158-T548 HydrophobicContact CG-CG2 3.52Å; M158-T548 HydrophobicContact SD-CG2 3.83Å; V369-T548 HydrophobicContact CG1-CG2 3.96Å; F546-T548 WeakPolarHBondContact CB-O 3.21Å; T548-N550 VanDerWaalsContact C-N 3.26Å; T548-N550 PolarHBondContact O-N 2.97Å; T548-N550 PolarHBondContact OG1-N 3.35Å; T548-G551 PolarHBondContact N-O 2.77Å; T548-G551 VanDerWaalsContact N-O 3.13Å; T548-G551 WeakPolarHBondContact OG1-CA 3.43Å; T548-G551 PolarHBondContact OG1-N 2.75Å
549	R	91.2	Very high	80.5	Confident	34 Å²	34	58.9 Å²	58.9	13%	0.128	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-39.3	173.8	-162.1	-178	-157.9	-89	-3.4	112.8	S161 S374 S536	S161-R549 WeakPolarHBondContact O-CB 3.38Å; S161-R549 VanDerWaalsContact O-CD 3.24Å; S161-R549 WeakPolarHBondContact O-CD 3.43Å; S161-R549 WeakPolarHBondContact O-CG 3.22Å; S161-R549 PolarHBondContact OG-N 2.93Å; S374-R549 WeakPolarHBondContact CB-O 3.34Å; S374-R549 PolarHBondContact OG-O 2.96Å; S536-R549 PolarHBondContact O-NH2 2.84Å; S536-R549 PolarHBondContact OG-NH2 2.89Å
550	N	91.9	Very high	78.3	Confident	16 Å²	16	64.5 Å²	64.5	9%	0.086	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	35.3	-173.9	-66	-51.1	0	0	0	112.1	E114 K371 K372 S374 C389 T548	E114-N550 VanDerWaalsContact OE1-C 3.26Å; E114-N550 WeakPolarHBondContact OE1-CA 3.26Å; E114-N550 PolarHBondContact OE1-N 2.85Å; K371-N550 CarbonylContact C-O 3.51Å; K371-N550 VanDerWaalsContact CA-O 3.3Å; K371-N550 WeakPolarHBondContact CA-O 3Å; K372-N550 CarbonylContact C-O 3.55Å; K372-N550 PolarHBondContact N-O 2.66Å; K372-N550 CarbonylContact O-C 3.6Å; K372-N550 WeakPolarHBondContact O-CA 3.28Å; S374-N550 PolarHBondContact OG-OD1 3.23Å; C389-N550 HydrophobicContact CB-CB 4.02Å; T548-N550 VanDerWaalsContact C-N 3.26Å; T548-N550 PolarHBondContact O-N 2.97Å; T548-N550 PolarHBondContact OG1-N 3.35Å
551	G	90.5	Very high	75.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	140	-174.8	0	0	0	0	0	113.2	L370 F546 Y547 T548	L370-G551 CarbonylContact O-C 3.58Å; L370-G551 WeakPolarHBondContact O-CA 3.48Å; F546-G551 CarbonylContact C-O 3.43Å; Y547-G551 PolarHBondContact N-O 2.83Å; T548-G551 PolarHBondContact N-O 2.77Å; T548-G551 VanDerWaalsContact N-O 3.13Å; T548-G551 WeakPolarHBondContact OG1-CA 3.43Å; T548-G551 PolarHBondContact OG1-N 2.75Å
552	V	90.9	Very high	73.5	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.1	177.7	-64.6	0	0	0	0	109.9	L370 K372 F546 L554	L370-V552 HydrophobicContact CB-CG2 4.19Å; L370-V552 HydrophobicContact CD2-CG2 4.4Å; L370-V552 PolarHBondContact N-O 3.05Å; L370-V552 PolarHBondContact O-N 3.43Å; K372-V552 HydrophobicContact CB-CG1 4.34Å; K372-V552 HydrophobicContact CB-CG2 4.17Å; K372-V552 HydrophobicContact CD-CG1 3.92Å; K372-V552 HydrophobicContact CD-CG2 4.23Å; F546-V552 HydrophobicContact CD1-CG1 3.61Å; F546-V552 HydrophobicContact CE1-CG1 3.65Å; F546-V552 HydrophobicContact CG-CG1 4.11Å; F546-V552 HydrophobicContact CZ-CG1 4.21Å; V552-L554 PolarHBondContact O-N 2.98Å
553	L	88.9	Confident	70.8	Confident	23 Å²	23	73.4 Å²	73.4	12%	0.12	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.4	170	-69.5	174.7	0	0	0	109.8	A368 V369 Y547 G555 N556 S557	A368-L553 WeakPolarHBondContact O-CA 3.43Å; V369-L553 HydrophobicContact CG2-CD2 3.95Å; Y547-L553 HydrophobicContact CD1-CD2 3.73Å; Y547-L553 HydrophobicContact CD1-CG 4.09Å; Y547-L553 HydrophobicContact CD2-CD1 3.73Å; Y547-L553 HydrophobicContact CD2-CD2 4.31Å; Y547-L553 HydrophobicContact CD2-CG 3.92Å; Y547-L553 HydrophobicContact CE1-CD2 4Å; Y547-L553 HydrophobicContact CE2-CD1 4.1Å; Y547-L553 HydrophobicContact CG-CD1 4.05Å; Y547-L553 HydrophobicContact CG-CD2 3.88Å; Y547-L553 HydrophobicContact CG-CG 3.69Å; L553-G555 PolarHBondContact O-N 2.76Å; L553-N556 PolarHBondContact O-N 3.03Å; L553-N556 VanDerWaalsContact O-N 3.16Å; L553-S557 PolarHBondContact O-N 3.49Å; L553-S557 PolarHBondContact O-OG 3.12Å
554	L	82.8	Confident	68.3	Low	14 Å²	14	76.3 Å²	76.3	7%	0.073	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-36.5	176.3	-92.1	169.6	0	0	0	111.4	V144 L365 A368 L370 V552 N556 S557 M558	V144-L554 HydrophobicContact CG1-CD1 4.14Å; L365-L554 WeakPolarHBondContact O-CB 3.22Å; A368-L554 HydrophobicContact CB-CB 4.34Å; A368-L554 HydrophobicContact CB-CD1 3.77Å; A368-L554 PolarHBondContact O-N 3.33Å; L370-L554 HydrophobicContact CB-CD1 4.46Å; L370-L554 HydrophobicContact CB-CD2 4.3Å; L370-L554 HydrophobicContact CB-CG 3.95Å; L370-L554 HydrophobicContact CD2-CD2 4.03Å; V552-L554 PolarHBondContact O-N 2.98Å; L554-N556 PolarHBondContact O-N 2.72Å; L554-S557 CarbonylContact O-C 3.54Å; L554-S557 WeakPolarHBondContact O-CA 3.26Å; L554-S557 PolarHBondContact O-N 3.06Å; L554-M558 WeakPolarHBondContact O-CG 3.18Å; L554-M558 PolarHBondContact O-N 3.34Å
555	G	69.8	Low	66	Low	21 Å²	21	73.9 Å²	73.9	22%	0.216	36%	0.364	C	S	.	.	H	α-helix	trans	-53.3	-36	174.7	0	0	0	0	0	114.3	K366 L553 S557	K366-G555 WeakPolarHBondContact O-CA 3.35Å; K366-G555 PolarHBondContact O-N 3.17Å; K366-G555 VanDerWaalsContact O-N 3.07Å; L553-G555 PolarHBondContact O-N 2.76Å; G555-S557 VanDerWaalsContact C-N 3.34Å
556	N	58.6	Low	63.5	Low	124 Å²	124	80.4 Å²	80.4	66%	0.663	38%	0.384	S	S	*	.	H	α-helix	trans	-80	-19.8	177.7	-65.8	-12.1	0	0	0	112.5	L553 L554	L553-N556 PolarHBondContact O-N 3.03Å; L553-N556 VanDerWaalsContact O-N 3.16Å; L554-N556 PolarHBondContact O-N 2.72Å
557	S	53.3	Low	60.7	Low	21 Å²	21	89.2 Å²	89.2	15%	0.147	43%	0.425	C	S	.	.	H	α-helix	trans	-104.8	-10	-175	-58.7	0	0	0	0	114.1	L553 L554 G555 K559 K560 F561	L553-S557 PolarHBondContact O-N 3.49Å; L553-S557 PolarHBondContact O-OG 3.12Å; L554-S557 CarbonylContact O-C 3.54Å; L554-S557 WeakPolarHBondContact O-CA 3.26Å; L554-S557 PolarHBondContact O-N 3.06Å; G555-S557 VanDerWaalsContact C-N 3.34Å; S557-K559 PolarHBondContact O-N 2.93Å; S557-K560 PolarHBondContact O-N 3.14Å; S557-F561 WeakPolarHBondContact O-CD2 3.24Å
558	M	48.9	Very low	57.8	Low	66 Å²	66	91.3 Å²	91.3	33%	0.325	45%	0.454	S	S	.	.	H	α-helix	trans	-56.1	-24.6	-173.1	-88.6	-158.9	-87.8	0	0	114.5	K366 L554 K560 F562	K366-M558 HydrophobicContact CB-CE 4.32Å; L554-M558 WeakPolarHBondContact O-CG 3.18Å; L554-M558 PolarHBondContact O-N 3.34Å; M558-K560 VanDerWaalsContact C-N 3.27Å; M558-K560 PolarHBondContact O-N 2.85Å; M558-F562 HydrophobicContact CG-CD2 4.09Å; M558-F562 HydrophobicContact CG-CE2 4.19Å
559	K	45.4	Very low	54.7	Low	212 Å²	212	94.8 Å²	94.8	92%	0.922	49%	0.49	S	S	*	.	H	α-helix	trans	-67.8	-20.2	173.2	-71.6	-174	179.4	-179.8	0	114.3	S557	S557-K559 PolarHBondContact O-N 2.93Å
560	K	43.2	Very low	52.1	Low	192 Å²	192	101.3 Å²	101.3	84%	0.835	53%	0.527	S	S	*	.	H	α-helix	trans	-103.7	-25.6	-176.7	-82.8	-177.3	176.4	177.2	0	114.5	S557 M558	S557-K560 PolarHBondContact O-N 3.14Å; M558-K560 VanDerWaalsContact C-N 3.27Å; M558-K560 PolarHBondContact O-N 2.85Å
561	F	37.8	Very low	49.3	Very low	120 Å²	120	107.9 Å²	107.9	53%	0.526	56%	0.561	S	S	.	*	H	α-helix	trans	-105	-24	-168.6	-72	-81.7	0	0	0	115	S557	S557-F561 WeakPolarHBondContact O-CD2 3.24Å
562	F	40.5	Very low	46.5	Very low	91 Å²	91	116.2 Å²	116.2	40%	0.399	60%	0.601	S	S	.	*			trans	-102.8	95.7	173.1	-66.8	-80.1	0	0	0	108.9	P135 M558	P135-F562 HydrophobicContact CB-CE1 4.27Å; P135-F562 HydrophobicContact CG-CE1 3.9Å; P135-F562 HydrophobicContact CG-CZ 4.28Å; M558-F562 HydrophobicContact CG-CD2 4.09Å; M558-F562 HydrophobicContact CG-CE2 4.19Å
563	K	30.9	Very low	43.8	Very low	193 Å²	193	129.2 Å²	129.2	84%	0.839	66%	0.657	S	S	*	*			trans	-58.3	132.4	160.4	-88	-178.2	177.5	175.6	0	106.9	T565	K563-T565 PolarHBondContact O-N 3.42Å
564	P	30.6	Very low	41.6	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	68%	0.684	S	S	*	*			trans	-56.5	120.2	171.4	-16.5	27.7	0	0	0	107.7	R566	P564-R566 PolarHBondContact O-N 2.85Å
565	T	32.8	Very low	39.4	Very low	139 Å²	139	140.9 Å²	140.9	85%	0.853	72%	0.716	S	S	*	*			trans	-54.5	115.1	163.1	-10.2	0	0	0	0	105.7	K563 Q567	K563-T565 PolarHBondContact O-N 3.42Å; T565-Q567 PolarHBondContact O-N 3.24Å; T565-Q567 VanDerWaalsContact O-N 3.08Å
566	R	31.2	Very low	37.7	Very low	240 Å²	240	147.6 Å²	147.6	91%	0.906	74%	0.744	S	S	*	*			trans	-52.3	121.6	172.8	-78.4	-179	-179.3	-178.1	-0.9	106.8	P564 A568	P564-R566 PolarHBondContact O-N 2.85Å; R566-A568 PolarHBondContact O-N 3.27Å
567	Q	32.3	Very low	36.5	Very low	193 Å²	193	148.9 Å²	148.9	90%	0.902	75%	0.749	S	S	*	*			trans	-51	111.4	158.4	-91.6	168.2	-47.3	0	0	106.4	T565 G569	T565-Q567 PolarHBondContact O-N 3.24Å; T565-Q567 VanDerWaalsContact O-N 3.08Å; Q567-G569 PolarHBondContact O-N 3.08Å; Q567-G569 VanDerWaalsContact O-N 3.17Å
568	A	29.6	Very low	35.4	Very low	97 Å²	97	156.9 Å²	156.9	80%	0.802	79%	0.787	S	S	*	*			trans	-61.5	116.1	160.9	0	0	0	0	0	105.6	R566 L570	R566-A568 PolarHBondContact O-N 3.27Å; A568-L570 PolarHBondContact O-N 2.81Å
569	G	28	Very low	34.5	Very low	74 Å²	74	163 Å²	163	76%	0.763	82%	0.817	S	S	*	*			trans	-57.8	122.9	-178.5	0	0	0	0	0	110.4	Q567	Q567-G569 PolarHBondContact O-N 3.08Å; Q567-G569 VanDerWaalsContact O-N 3.17Å
570	L	35.8	Very low	33.7	Very low	171 Å²	171	159.5 Å²	159.5	90%	0.895	81%	0.81	S	S	*	*			trans	-89.7	90.3	149.7	-99.7	145.8	0	0	0	105.1	A568	A568-L570 PolarHBondContact O-N 2.81Å
571	D	32.5	Very low	33	Very low	153 Å²	153	157 Å²	157	82%	0.818	81%	0.808	S	S	*	*			trans	-155.7	127.3	156.9	-88.1	-34.1	0	0	0	107.8
572	Q	32	Very low	32.6	Very low	176 Å²	176	160.1 Å²	160.1	82%	0.822	83%	0.831	S	S	*	*			trans	84.1	79.1	173.7	-54	-179.2	4	0	0	117.7
573	F	35.2	Very low	31.9	Very low	275 Å²	275	166.4 Å²	166.4	100%	1.206	87%	0.871	S	S	*	*				176.5	0	91.5	-100.9	-78.6	0	0	0	110.1

Retrieved 573 of 573 residues in 716.8 ms (Link to these results)

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