A0A077Z5H0_TRITR Loading...

protein disulfide-isomerase

AlphaFold DB , UniProt , Accession A0A077Z5H0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 600 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	42.5	Very low	37.4	Very low	246 Å²	246	171.1 Å²	171.1	100%	1.212	84%	0.839	S	S	*	*				0	107.9	0	-89.3	179.3	171.7	0	0	109.6
2	R	37.4	Very low	37	Very low	259 Å²	259	166.3 Å²	166.3	98%	0.977	83%	0.826	S	S	*	*			trans	-166.6	139.4	142.4	-104.6	172.1	-170.9	-161.3	2.8	107.8
3	R	34.3	Very low	36.8	Very low	227 Å²	227	160.4 Å²	160.4	86%	0.857	81%	0.811	S	S	*	*			trans	-107.4	157.1	-161.4	-113.4	-176.9	-176.8	-172.3	0.1	108.7
4	I	31.1	Very low	36.5	Very low	149 Å²	149	159.7 Å²	159.7	76%	0.764	81%	0.809	S	S	*	*			trans	80.6	149.7	154.2	-61.3	156.6	0	0	0	115.9
5	P	46.2	Very low	36.4	Very low	113 Å²	113	160.4 Å²	160.4	73%	0.734	80%	0.804	S	S	*	*			cis	-124.7	161.4	0.3	17	6.4	0	0	0	116.5	G7	P5-G7 PolarHBondContact O-N 2.94Å
6	S	36.5	Very low	36.4	Very low	123 Å²	123	155 Å²	155	86%	0.86	79%	0.792	S	S	*	*			trans	-52.2	109.2	161.1	-49.3	0	0	0	0	112.2
7	G	37.7	Very low	36.2	Very low	61 Å²	61	156 Å²	156	63%	0.629	79%	0.793	S	S	*	*			trans	-85.4	110.6	167.8	0	0	0	0	0	109.9	P5 F9	P5-G7 PolarHBondContact O-N 2.94Å; G7-F9 PolarHBondContact O-N 3.07Å
8	I	37.2	Very low	36.1	Very low	151 Å²	151	153.8 Å²	153.8	77%	0.774	79%	0.793	S	S	*	*			trans	-65.2	106	166.3	-69.3	163.2	0	0	0	107	F10	I8-F10 HydrophobicContact CG2-CD2 4.37Å; I8-F10 PolarHBondContact O-N 3.28Å; I8-F10 VanDerWaalsContact O-N 3.16Å
9	F	38.1	Very low	36.1	Very low	182 Å²	182	154 Å²	154	80%	0.798	79%	0.794	S	S	*	*			trans	-74.5	101.3	172.5	-90.6	-89.5	0	0	0	109	G7 F11	G7-F9 PolarHBondContact O-N 3.07Å; F9-F11 PolarHBondContact O-N 3.09Å
10	F	34.3	Very low	36.2	Very low	182 Å²	182	152.2 Å²	152.2	80%	0.798	80%	0.796	S	S	*	*			trans	-61.2	99.3	159.5	-100	-100.7	0	0	0	108.4	I8 V12	I8-F10 HydrophobicContact CG2-CD2 4.37Å; I8-F10 PolarHBondContact O-N 3.28Å; I8-F10 VanDerWaalsContact O-N 3.16Å; F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.82Å; F10-V12 VanDerWaalsContact O-N 3.11Å
11	F	35.9	Very low	36.3	Very low	189 Å²	189	149.6 Å²	149.6	83%	0.829	79%	0.79	S	S	*	*			trans	-72.3	97.4	159.3	-99.5	-92	0	0	0	107.4	F9 S13	F9-F11 PolarHBondContact O-N 3.09Å; F11-S13 VanDerWaalsContact C-N 3.28Å; F11-S13 PolarHBondContact O-N 3.38Å
12	V	32.8	Very low	36.2	Very low	113 Å²	113	146.7 Å²	146.7	69%	0.685	77%	0.771	S	S	*	*			trans	-62.2	98	161.5	176.1	0	0	0	0	106	F10 I14	F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.82Å; F10-V12 VanDerWaalsContact O-N 3.11Å; V12-I14 PolarHBondContact O-N 2.66Å
13	S	33.9	Very low	36.3	Very low	90 Å²	90	137.4 Å²	137.4	63%	0.629	74%	0.744	S	S	*	*			trans	-57.8	105.6	163.1	-81.3	0	0	0	0	107.1	F11 F15	F11-S13 VanDerWaalsContact C-N 3.28Å; F11-S13 PolarHBondContact O-N 3.38Å; S13-F15 PolarHBondContact O-N 3.08Å
14	I	33.5	Very low	36.8	Very low	151 Å²	151	130.1 Å²	130.1	77%	0.774	73%	0.728	S	S	*	*			trans	-67.1	85.7	160.1	-61.6	171	0	0	0	104.6	V12 A16	V12-I14 PolarHBondContact O-N 2.66Å; I14-A16 HydrophobicContact CG2-CB 4.39Å; I14-A16 PolarHBondContact O-N 2.9Å
15	F	33.9	Very low	37.9	Very low	170 Å²	170	129.3 Å²	129.3	75%	0.746	73%	0.73	S	S	*	*			trans	-64.8	79	154.7	-99.2	-91	0	0	0	105.8	S13 H17	S13-F15 PolarHBondContact O-N 3.08Å; F15-H17 PolarHBondContact O-N 3.48Å
16	A	36.8	Very low	39.1	Very low	74 Å²	74	130.6 Å²	130.6	61%	0.612	73%	0.731	S	S	*	*			trans	-56.3	103.9	153.2	0	0	0	0	0	104.5	I14 C18	I14-A16 HydrophobicContact CG2-CB 4.39Å; I14-A16 PolarHBondContact O-N 2.9Å; A16-C18 PolarHBondContact O-N 3.3Å
17	H	33.5	Very low	41.2	Very low	172 Å²	172	128.6 Å²	128.6	80%	0.796	71%	0.708	S	S	*	*			trans	-59.9	79.8	157.4	-80.6	55.9	0	0	0	105.8	F15 L19	F15-H17 PolarHBondContact O-N 3.48Å; H17-L19 PolarHBondContact O-N 3.28Å
18	C	34	Very low	43.7	Very low	117 Å²	117	126.7 Å²	126.7	79%	0.791	68%	0.682	S	S	*	*			trans	-64	95.3	152.9	-116.7	0	0	0	0	103.6	A16 S20	A16-C18 PolarHBondContact O-N 3.3Å; C18-S20 PolarHBondContact O-N 3.31Å
19	L	35.4	Very low	46.4	Very low	157 Å²	157	122 Å²	122	82%	0.822	66%	0.662	S	S	*	*			trans	-38.1	112.4	152.4	-81.7	148.6	0	0	0	106	H17 S21	H17-L19 PolarHBondContact O-N 3.28Å; L19-S21 PolarHBondContact O-N 3.12Å
20	S	39.4	Very low	49.1	Very low	118 Å²	118	120 Å²	120	83%	0.825	65%	0.654	S	S	*	*			trans	-62.5	83.1	168.4	-178.6	0	0	0	0	106	C18 K22	C18-S20 PolarHBondContact O-N 3.31Å; S20-K22 PolarHBondContact O-N 3.48Å
21	S	38.2	Very low	51.9	Low	98 Å²	98	115.8 Å²	115.8	69%	0.685	64%	0.637	S	S	*	*			trans	-57.6	119.5	148.9	48.8	0	0	0	0	103.8	L19 P23	L19-S21 PolarHBondContact O-N 3.12Å; S21-P23 VanDerWaalsContact O-N 3.17Å
22	K	39.1	Very low	54.6	Low	185 Å²	185	111.7 Å²	111.7	80%	0.804	62%	0.624	S	S	*	*			trans	-41.3	129.1	157.8	-72.6	-178.6	174.1	-174.4	0	106.1	S20 S24	S20-K22 PolarHBondContact O-N 3.48Å; K22-S24 PolarHBondContact O-N 3.12Å; K22-S24 VanDerWaalsContact O-N 3.12Å
23	P	40.6	Very low	57.4	Low	63 Å²	63	109 Å²	109	41%	0.409	62%	0.62	S	S	.	*			trans	-46.6	130.6	173.5	19.5	-30	0	0	0	106.5	S21 T25 E27 Y28	S21-P23 VanDerWaalsContact O-N 3.17Å; P23-T25 PolarHBondContact O-N 2.88Å; P23-E27 HydrophobicContact CB-CB 4.2Å; P23-E27 WeakPolarHBondContact CB-OE2 3.34Å; P23-Y28 HydrophobicContact CB-CD2 4.19Å; P23-Y28 HydrophobicContact CB-CE2 4Å; P23-Y28 HydrophobicContact CG-CD2 4.15Å; P23-Y28 HydrophobicContact CG-CE2 4.1Å
24	S	44.8	Very low	60.4	Low	75 Å²	75	104.8 Å²	104.8	52%	0.524	59%	0.59	S	S	.	*			trans	-47.8	143.1	176.8	43.7	0	0	0	0	107.8	K22 D26 E27	K22-S24 PolarHBondContact O-N 3.12Å; K22-S24 VanDerWaalsContact O-N 3.12Å; S24-D26 PolarHBondContact O-N 3.4Å; S24-E27 PolarHBondContact O-N 2.77Å
25	T	53.2	Low	63.5	Low	132 Å²	132	98 Å²	98	81%	0.81	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-9.1	177.3	39.6	0	0	0	0	114	P23	P23-T25 PolarHBondContact O-N 2.88Å
26	D	71.5	Confident	66.5	Low	140 Å²	140	92.7 Å²	92.7	75%	0.749	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-18.2	175.5	-64	-24.3	0	0	0	115.2	S24	S24-D26 PolarHBondContact O-N 3.4Å
27	E	81.1	Confident	69.4	Low	81 Å²	81	89.2 Å²	89.2	38%	0.379	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-35.4	-173.6	-164.8	-179.9	157.3	0	0	113	P23 S24 N41	P23-E27 HydrophobicContact CB-CB 4.2Å; P23-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact O-N 2.77Å; E27-N41 PolarHBondContact O-ND2 3.18Å; E27-N41 VanDerWaalsContact O-ND2 3.13Å
28	Y	91.2	Very high	72.5	Confident	21 Å²	21	83.3 Å²	83.3	8%	0.082	48%	0.48	C	S	.	.	S	Bend	trans	-128.5	80	179.6	-57.1	-64.8	0	0	0	108.4	P23 E30 L37 N41 S44 F45	P23-Y28 HydrophobicContact CB-CD2 4.19Å; P23-Y28 HydrophobicContact CB-CE2 4Å; P23-Y28 HydrophobicContact CG-CD2 4.15Å; P23-Y28 HydrophobicContact CG-CE2 4.1Å; Y28-E30 PolarHBondContact O-N 3.34Å; Y28-L37 HydrophobicContact CD1-CD2 4.37Å; Y28-N41 HydrophobicContact CD1-CB 4.28Å; Y28-N41 HydrophobicContact CE1-CB 3.96Å; Y28-S44 VanDerWaalsContact OH-C 3.31Å; Y28-S44 VanDerWaalsContact OH-CB 3.28Å; Y28-S44 WeakPolarHBondContact OH-CB 3.47Å; Y28-S44 PolarHBondContact OH-OG 2.84Å; Y28-F45 HydrophobicContact CD1-CB 4.01Å; Y28-F45 AromaticContact CD1-CD2 3.83Å; Y28-F45 HydrophobicContact CD1-CD2 3.83Å; Y28-F45 HydrophobicContact CD1-CG 4.37Å; Y28-F45 HydrophobicContact CE1-CB 3.53Å; Y28-F45 HydrophobicContact CE1-CD2 4.07Å; Y28-F45 HydrophobicContact CE1-CG 4.3Å; Y28-F45 HydrophobicContact CG-CD2 4.25Å; Y28-F45 PolarHBondContact OH-N 2.88Å
29	P	93.6	Very high	75.5	Confident	53 Å²	53	80.7 Å²	80.7	34%	0.344	46%	0.458	S	S	.	.			trans	-58.9	138.9	180	20.3	-28.2	0	0	0	110.2	I36	P29-I36 HydrophobicContact CG-CB 4.21Å; P29-I36 WeakPolarHBondContact O-CB 2.94Å; P29-I36 PolarHBondContact O-N 3.13Å
30	E	93.6	Very high	78.4	Confident	139 Å²	139	81.8 Å²	81.8	65%	0.65	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.4	178.3	-71.4	-179.9	-158.8	0	0	110.7	Y28 V34 V35	Y28-E30 PolarHBondContact O-N 3.34Å; E30-V34 WeakPolarHBondContact CA-O 3.24Å; E30-V35 HydrophobicContact CG-CG2 4.02Å
31	E	93.1	Very high	81.1	Confident	94 Å²	94	76.7 Å²	76.7	44%	0.439	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.6	169.4	178.9	-177.4	-148.9	0	0	108.7	G33 V34 I36 K83	E31-G33 PolarHBondContact O-N 2.97Å; E31-G33 VanDerWaalsContact O-N 3.13Å; E31-V34 PolarHBondContact N-O 3.08Å; E31-V34 PolarHBondContact O-N 2.97Å; E31-I36 HydrophobicContact CB-CD1 3.75Å; E31-I36 HydrophobicContact CB-CG1 4.3Å; E31-K83 WeakPolarHBondContact OE2-CE 3.24Å; E31-K83 IonicContact OE2-NZ 2.75Å; E31-K83 PolarHBondContact OE2-NZ 2.63Å
32	N	92.8	Very high	84	Confident	102 Å²	102	72 Å²	72	55%	0.545	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	34.1	179.6	-55	-36	0	0	0	113.9	E72	N32-E72 HydrophobicContact CB-CB 4.14Å; N32-E72 VanDerWaalsContact CB-CD 3.48Å; N32-E72 HydrophobicContact CB-CG 3.78Å; N32-E72 VanDerWaalsContact ND2-CD 3.32Å; N32-E72 PolarHBondContact ND2-OE1 3.36Å; N32-E72 PolarHBondContact ND2-OE2 2.95Å
33	G	92.2	Very high	86.6	Confident	58 Å²	58	66.9 Å²	66.9	60%	0.598	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	7.3	-179	0	0	0	0	0	115.1	E31	E31-G33 PolarHBondContact O-N 2.97Å; E31-G33 VanDerWaalsContact O-N 3.13Å
34	V	97.2	Very high	89.3	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.9	177.2	-174.9	0	0	0	0	109.8	E30 E31 Y71 E72 L81 K83	E30-V34 WeakPolarHBondContact CA-O 3.24Å; E31-V34 PolarHBondContact N-O 3.08Å; E31-V34 PolarHBondContact O-N 2.97Å; V34-Y71 HydrophobicContact CG1-CD1 4.02Å; V34-Y71 HydrophobicContact CG1-CE1 3.73Å; V34-Y71 HydrophobicContact CG2-CD1 4Å; V34-Y71 HydrophobicContact CG2-CE1 4.38Å; V34-E72 HydrophobicContact CG2-CB 4.42Å; V34-E72 HydrophobicContact CG2-CG 3.87Å; V34-L81 HydrophobicContact CG1-CB 4.37Å; V34-L81 HydrophobicContact CG2-CB 4.44Å; V34-K83 HydrophobicContact CB-CD 4.3Å; V34-K83 HydrophobicContact CG1-CB 3.88Å; V34-K83 HydrophobicContact CG1-CD 3.85Å; V34-K83 HydrophobicContact CG1-CG 3.71Å
35	V	97.6	Very high	91.8	Very high	9 Å²	9	61.9 Å²	61.9	6%	0.055	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130	177.8	177.5	0	0	0	0	110.3	E30 L37 F45 L81 A82 K83	E30-V35 HydrophobicContact CG-CG2 4.02Å; V35-L37 HydrophobicContact CG1-CD2 3.81Å; V35-L37 HydrophobicContact CG1-CG 4.39Å; V35-F45 HydrophobicContact CB-CE2 4.18Å; V35-F45 HydrophobicContact CB-CZ 4.48Å; V35-F45 HydrophobicContact CG1-CD2 4.09Å; V35-F45 HydrophobicContact CG1-CE2 3.84Å; V35-F45 HydrophobicContact CG1-CZ 4.47Å; V35-F45 HydrophobicContact CG2-CE2 4.07Å; V35-L81 PolarHBondContact N-O 2.65Å; V35-A82 HydrophobicContact CB-CB 3.98Å; V35-A82 CarbonylContact O-C 3.48Å; V35-A82 WeakPolarHBondContact O-CA 3.47Å; V35-K83 PolarHBondContact O-N 3.37Å
36	I	97.7	Very high	93.8	Very high	58 Å²	58	56.9 Å²	56.9	30%	0.297	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.8	175.5	-59.6	170	0	0	0	108.8	P29 E31 N41 K83	P29-I36 HydrophobicContact CG-CB 4.21Å; P29-I36 WeakPolarHBondContact O-CB 2.94Å; P29-I36 PolarHBondContact O-N 3.13Å; E31-I36 HydrophobicContact CB-CD1 3.75Å; E31-I36 HydrophobicContact CB-CG1 4.3Å; I36-N41 PolarHBondContact O-ND2 2.87Å; I36-K83 HydrophobicContact CG1-CG 4.49Å
37	L	98.3	Very high	94.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	153.2	175.9	-56.4	176.8	0	0	0	111.5	Y28 V35 N41 Y42 F45 V54 A82 K83 L84	Y28-L37 HydrophobicContact CD1-CD2 4.37Å; V35-L37 HydrophobicContact CG1-CD2 3.81Å; V35-L37 HydrophobicContact CG1-CG 4.39Å; L37-N41 VanDerWaalsContact CA-OD1 3.23Å; L37-N41 WeakPolarHBondContact CA-OD1 3.47Å; L37-Y42 HydrophobicContact CB-CD2 4.29Å; L37-Y42 HydrophobicContact CD1-CD2 3.73Å; L37-Y42 HydrophobicContact CD1-CE2 4.18Å; L37-F45 HydrophobicContact CD1-CD1 3.66Å; L37-F45 HydrophobicContact CD1-CE1 4.04Å; L37-F45 HydrophobicContact CD1-CG 4.21Å; L37-F45 HydrophobicContact CD2-CB 3.57Å; L37-F45 HydrophobicContact CD2-CD1 3.84Å; L37-F45 HydrophobicContact CD2-CD2 3.9Å; L37-F45 HydrophobicContact CD2-CE1 4.5Å; L37-F45 HydrophobicContact CD2-CG 3.48Å; L37-F45 VanDerWaalsContact CD2-CG 3.48Å; L37-F45 HydrophobicContact CG-CD1 4.37Å; L37-F45 HydrophobicContact CG-CG 4.47Å; L37-V54 HydrophobicContact CD1-CG1 3.98Å; L37-V54 HydrophobicContact CD1-CG2 4.3Å; L37-A82 HydrophobicContact CD1-CB 3.57Å; L37-A82 HydrophobicContact CG-CB 3.9Å; L37-K83 PolarHBondContact N-O 2.98Å; L37-L84 HydrophobicContact CB-CB 4.15Å; L37-L84 HydrophobicContact CB-CD1 3.96Å; L37-L84 HydrophobicContact CB-CG 4.49Å; L37-L84 WeakPolarHBondContact O-CG 3.12Å
38	N	97.3	Very high	95.5	Very high	47 Å²	47	58 Å²	58	25%	0.251	31%	0.312	S	S	.	.			trans	-145.1	-179.8	177.9	61.7	40.5	0	0	0	110.7	E40 N41 Y42 N89	N38-E40 PolarHBondContact O-N 3.44Å; N38-E40 VanDerWaalsContact O-N 3.09Å; N38-E40 WeakPolarHBondContact OD1-CA 3.29Å; N38-E40 WeakPolarHBondContact OD1-CB 3.27Å; N38-E40 PolarHBondContact OD1-N 2.86Å; N38-N41 PolarHBondContact N-OD1 2.98Å; N38-N41 PolarHBondContact O-N 2.9Å; N38-N41 PolarHBondContact O-OD1 2.88Å; N38-N41 PolarHBondContact OD1-N 2.83Å; N38-N41 PolarHBondContact OD1-OD1 3.32Å; N38-Y42 VanDerWaalsContact O-CB 3.28Å; N38-Y42 WeakPolarHBondContact O-CB 3.3Å; N38-Y42 PolarHBondContact O-N 3.27Å; N38-N89 WeakPolarHBondContact CA-OD1 3.4Å; N38-N89 WeakPolarHBondContact CB-OD1 3.33Å
39	D	97.7	Very high	95.7	Very high	62 Å²	62	59.9 Å²	59.9	33%	0.332	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.7	179.8	-79.6	-18.5	0	0	0	114.1	N89 S90 A91 V92	D39-N89 PolarHBondContact N-OD1 3.31Å; D39-N89 VanDerWaalsContact OD1-C 3.24Å; D39-N89 WeakPolarHBondContact OD1-CA 3.29Å; D39-N89 WeakPolarHBondContact OD1-CB 3.33Å; D39-N89 WeakPolarHBondContact OD2-CA 3.39Å; D39-S90 PolarHBondContact OD2-N 3.39Å; D39-A91 HydrophobicContact CB-CB 4.39Å; D39-A91 PolarHBondContact OD1-N 3.1Å; D39-A91 WeakPolarHBondContact OD2-CB 3.33Å; D39-A91 PolarHBondContact OD2-N 3.36Å; D39-A91 VanDerWaalsContact OD2-N 3.16Å; D39-V92 WeakPolarHBondContact OD1-CB 3.37Å; D39-V92 WeakPolarHBondContact OD1-CG2 3.4Å; D39-V92 PolarHBondContact OD1-N 2.96Å
40	E	96.2	Very high	95.7	Very high	181 Å²	181	60.3 Å²	60.3	85%	0.846	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-34.8	-176.7	-57.6	-178.8	171.3	0	0	113.5	N38	N38-E40 PolarHBondContact O-N 3.44Å; N38-E40 VanDerWaalsContact O-N 3.09Å; N38-E40 WeakPolarHBondContact OD1-CA 3.29Å; N38-E40 WeakPolarHBondContact OD1-CB 3.27Å; N38-E40 PolarHBondContact OD1-N 2.86Å
41	N	97.2	Very high	95.8	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.053	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-6.5	-172.7	75	-2.7	0	0	0	114.7	E27 Y28 I36 L37 N38 D43 S44 F45	E27-N41 PolarHBondContact O-ND2 3.18Å; E27-N41 VanDerWaalsContact O-ND2 3.13Å; Y28-N41 HydrophobicContact CD1-CB 4.28Å; Y28-N41 HydrophobicContact CE1-CB 3.96Å; I36-N41 PolarHBondContact O-ND2 2.87Å; L37-N41 VanDerWaalsContact CA-OD1 3.23Å; L37-N41 WeakPolarHBondContact CA-OD1 3.47Å; N38-N41 PolarHBondContact N-OD1 2.98Å; N38-N41 PolarHBondContact O-N 2.9Å; N38-N41 PolarHBondContact O-OD1 2.88Å; N38-N41 PolarHBondContact OD1-N 2.83Å; N38-N41 PolarHBondContact OD1-OD1 3.32Å; N41-D43 PolarHBondContact O-N 2.5Å; N41-S44 PolarHBondContact O-OG 3.06Å; N41-S44 VanDerWaalsContact O-OG 3.08Å; N41-F45 VanDerWaalsContact O-CB 3.24Å; N41-F45 WeakPolarHBondContact O-CB 3.18Å; N41-F45 PolarHBondContact O-N 2.8Å
42	Y	97.5	Very high	96	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-46.6	-176.4	179.3	-96.3	0	0	0	113.5	L37 N38 F45 L46 V54 F56 L84 V92 E96 W107	L37-Y42 HydrophobicContact CB-CD2 4.29Å; L37-Y42 HydrophobicContact CD1-CD2 3.73Å; L37-Y42 HydrophobicContact CD1-CE2 4.18Å; N38-Y42 VanDerWaalsContact O-CB 3.28Å; N38-Y42 WeakPolarHBondContact O-CB 3.3Å; N38-Y42 PolarHBondContact O-N 3.27Å; Y42-F45 WeakPolarHBondContact O-CB 3.5Å; Y42-F45 PolarHBondContact O-N 2.89Å; Y42-L46 HydrophobicContact CD1-CD1 4.34Å; Y42-L46 HydrophobicContact CE1-CD1 3.59Å; Y42-L46 HydrophobicContact CE2-CD1 4.2Å; Y42-L46 VanDerWaalsContact CZ-CD1 3.49Å; Y42-L46 PolarHBondContact O-N 2.97Å; Y42-L46 WeakPolarHBondContact OH-CD1 3.26Å; Y42-V54 HydrophobicContact CE2-CG1 4.19Å; Y42-F56 AromaticContact CE2-CE1 3.99Å; Y42-F56 HydrophobicContact CE2-CE1 3.99Å; Y42-F56 AromaticContact CE2-CZ 3.76Å; Y42-F56 HydrophobicContact CE2-CZ 3.76Å; Y42-F56 AromaticContact CZ-CZ 3.95Å; Y42-L84 HydrophobicContact CD2-CD1 3.89Å; Y42-L84 HydrophobicContact CG-CD1 4.49Å; Y42-V92 HydrophobicContact CD1-CG1 3.71Å; Y42-V92 HydrophobicContact CD1-CG2 3.93Å; Y42-V92 HydrophobicContact CD2-CG1 3.7Å; Y42-V92 HydrophobicContact CE1-CG1 3.9Å; Y42-V92 HydrophobicContact CE2-CG1 3.89Å; Y42-V92 HydrophobicContact CG-CB 4.4Å; Y42-V92 HydrophobicContact CG-CG1 3.62Å; Y42-V92 HydrophobicContact CG-CG2 3.82Å; Y42-E96 HydrophobicContact CE1-CG 3.92Å; Y42-E96 WeakPolarHBondContact OH-CG 3.15Å; Y42-W107 WeakPolarHBondContact OH-CZ2 3.39Å; Y42-W107 PolarHBondContact OH-NE1 3.01Å
43	D	95.2	Very high	96.3	Very high	77 Å²	77	46.1 Å²	46.1	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-71.1	-45.5	-176.2	-76	-14.4	0	0	0	111.8	N41 F45 L46 E47 K95	N41-D43 PolarHBondContact O-N 2.5Å; D43-F45 VanDerWaalsContact C-N 3.26Å; D43-F45 PolarHBondContact O-N 2.8Å; D43-L46 PolarHBondContact O-N 3.02Å; D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 3.45Å; D43-K95 IonicContact OD1-NZ 3.48Å; D43-K95 PolarHBondContact OD1-NZ 3.13Å; D43-K95 IonicContact OD2-NZ 3.86Å; D43-K95 PolarHBondContact OD2-NZ 2.63Å
44	S	95.8	Very high	96.6	Very high	34 Å²	34	43.4 Å²	43.4	24%	0.238	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-32.4	176.6	59.5	0	0	0	0	112.1	Y28 N41 T48	Y28-S44 VanDerWaalsContact OH-C 3.31Å; Y28-S44 VanDerWaalsContact OH-CB 3.28Å; Y28-S44 WeakPolarHBondContact OH-CB 3.47Å; Y28-S44 PolarHBondContact OH-OG 2.84Å; N41-S44 PolarHBondContact O-OG 3.06Å; N41-S44 VanDerWaalsContact O-OG 3.08Å; S44-T48 WeakPolarHBondContact O-CG2 3.39Å; S44-T48 PolarHBondContact O-N 2.72Å; S44-T48 VanDerWaalsContact O-N 3.11Å; S44-T48 PolarHBondContact O-OG1 2.95Å
45	F	97.2	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-50.9	172.6	177.3	-101.9	0	0	0	111.6	Y28 V35 L37 N41 Y42 D43 E47 T48 H49 A52 P80 A82	Y28-F45 HydrophobicContact CD1-CB 4.01Å; Y28-F45 AromaticContact CD1-CD2 3.83Å; Y28-F45 HydrophobicContact CD1-CD2 3.83Å; Y28-F45 HydrophobicContact CD1-CG 4.37Å; Y28-F45 HydrophobicContact CE1-CB 3.53Å; Y28-F45 HydrophobicContact CE1-CD2 4.07Å; Y28-F45 HydrophobicContact CE1-CG 4.3Å; Y28-F45 HydrophobicContact CG-CD2 4.25Å; Y28-F45 PolarHBondContact OH-N 2.88Å; V35-F45 HydrophobicContact CB-CE2 4.18Å; V35-F45 HydrophobicContact CB-CZ 4.48Å; V35-F45 HydrophobicContact CG1-CD2 4.09Å; V35-F45 HydrophobicContact CG1-CE2 3.84Å; V35-F45 HydrophobicContact CG1-CZ 4.47Å; V35-F45 HydrophobicContact CG2-CE2 4.07Å; L37-F45 HydrophobicContact CD1-CD1 3.66Å; L37-F45 HydrophobicContact CD1-CE1 4.04Å; L37-F45 HydrophobicContact CD1-CG 4.21Å; L37-F45 HydrophobicContact CD2-CB 3.57Å; L37-F45 HydrophobicContact CD2-CD1 3.84Å; L37-F45 HydrophobicContact CD2-CD2 3.9Å; L37-F45 HydrophobicContact CD2-CE1 4.5Å; L37-F45 HydrophobicContact CD2-CG 3.48Å; L37-F45 VanDerWaalsContact CD2-CG 3.48Å; L37-F45 HydrophobicContact CG-CD1 4.37Å; L37-F45 HydrophobicContact CG-CG 4.47Å; N41-F45 VanDerWaalsContact O-CB 3.24Å; N41-F45 WeakPolarHBondContact O-CB 3.18Å; N41-F45 PolarHBondContact O-N 2.8Å; Y42-F45 WeakPolarHBondContact O-CB 3.5Å; Y42-F45 PolarHBondContact O-N 2.89Å; D43-F45 VanDerWaalsContact C-N 3.26Å; D43-F45 PolarHBondContact O-N 2.8Å; F45-E47 VanDerWaalsContact C-N 3.32Å; F45-E47 PolarHBondContact O-N 3.2Å; F45-T48 PolarHBondContact O-N 3.48Å; F45-T48 PolarHBondContact O-OG1 3.36Å; F45-H49 AromaticContact CD2-ND1 3.52Å; F45-H49 HydrophobicContact CE1-CB 4.36Å; F45-H49 HydrophobicContact CE2-CB 4.26Å; F45-H49 AromaticContact CE2-CE1 3.96Å; F45-H49 AromaticContact CE2-CG 3.82Å; F45-H49 AromaticContact CE2-ND1 3.54Å; F45-H49 HydrophobicContact CZ-CB 4.13Å; F45-H49 WeakPolarHBondContact O-CB 3.46Å; F45-H49 PolarHBondContact O-N 3.29Å; F45-H49 PolarHBondContact O-ND1 2.99Å; F45-A52 HydrophobicContact CE1-CB 3.8Å; F45-A52 HydrophobicContact CZ-CB 4.2Å; F45-P80 HydrophobicContact CE2-CB 4.41Å; F45-P80 HydrophobicContact CE2-CG 4.33Å; F45-P80 HydrophobicContact CZ-CB 3.96Å; F45-P80 HydrophobicContact CZ-CG 3.74Å; F45-A82 HydrophobicContact CE1-CB 3.88Å; F45-A82 HydrophobicContact CZ-CB 3.94Å
46	L	96.1	Very high	96.7	Very high	26 Å²	26	43.1 Å²	43.1	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-70.4	-26.8	-179.1	-70.3	-179.5	0	0	0	113.3	Y42 D43 H49 A52 V54 W107	Y42-L46 HydrophobicContact CD1-CD1 4.34Å; Y42-L46 HydrophobicContact CE1-CD1 3.59Å; Y42-L46 HydrophobicContact CE2-CD1 4.2Å; Y42-L46 VanDerWaalsContact CZ-CD1 3.49Å; Y42-L46 PolarHBondContact O-N 2.97Å; Y42-L46 WeakPolarHBondContact OH-CD1 3.26Å; D43-L46 PolarHBondContact O-N 3.02Å; L46-H49 CarbonylContact O-C 3.53Å; L46-A52 HydrophobicContact CD2-CB 4.42Å; L46-V54 HydrophobicContact CD2-CG2 4.32Å; L46-W107 HydrophobicContact CD1-CD2 3.71Å; L46-W107 HydrophobicContact CD1-CE3 4.12Å; L46-W107 HydrophobicContact CD1-CG 4.17Å; L46-W107 HydrophobicContact CD1-CH2 4.18Å; L46-W107 HydrophobicContact CD1-CZ2 3.81Å; L46-W107 HydrophobicContact CD1-CZ3 4.33Å; L46-W107 HydrophobicContact CD2-CB 3.98Å; L46-W107 HydrophobicContact CD2-CD2 4.05Å; L46-W107 HydrophobicContact CD2-CG 3.63Å
47	E	94	Very high	96.7	Very high	163 Å²	163	42.4 Å²	42.4	76%	0.762	22%	0.222	S	C	*	.	H	α-helix	trans	-66.6	-37.9	170.7	-75.4	179.8	-179.9	0	0	112.2	D43 F45	D43-E47 WeakPolarHBondContact O-CG 3.48Å; D43-E47 PolarHBondContact O-N 3.45Å; F45-E47 VanDerWaalsContact C-N 3.32Å; F45-E47 PolarHBondContact O-N 3.2Å
48	T	94.3	Very high	96.6	Very high	81 Å²	81	42.4 Å²	42.4	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-88	-23.3	-179.5	53.2	0	0	0	0	113.4	S44 F45 P50	S44-T48 WeakPolarHBondContact O-CG2 3.39Å; S44-T48 PolarHBondContact O-N 2.72Å; S44-T48 VanDerWaalsContact O-N 3.11Å; S44-T48 PolarHBondContact O-OG1 2.95Å; F45-T48 PolarHBondContact O-N 3.48Å; F45-T48 PolarHBondContact O-OG1 3.36Å; T48-P50 WeakPolarHBondContact O-CD 3.32Å
49	H	95.5	Very high	96.4	Very high	62 Å²	62	43.2 Å²	43.2	29%	0.287	23%	0.23	S	C	.	.			trans	-124.8	77.9	179.3	-56.9	85	0	0	0	109.9	F45 L46 V51 P80	F45-H49 AromaticContact CD2-ND1 3.52Å; F45-H49 HydrophobicContact CE1-CB 4.36Å; F45-H49 HydrophobicContact CE2-CB 4.26Å; F45-H49 AromaticContact CE2-CE1 3.96Å; F45-H49 AromaticContact CE2-CG 3.82Å; F45-H49 AromaticContact CE2-ND1 3.54Å; F45-H49 HydrophobicContact CZ-CB 4.13Å; F45-H49 WeakPolarHBondContact O-CB 3.46Å; F45-H49 PolarHBondContact O-N 3.29Å; F45-H49 PolarHBondContact O-ND1 2.99Å; L46-H49 CarbonylContact O-C 3.53Å; H49-V51 PolarHBondContact O-N 2.95Å; H49-V51 VanDerWaalsContact O-N 3.07Å; H49-P80 HydrophobicContact CB-CG 3.93Å
50	P	93.1	Very high	96	Very high	62 Å²	62	48.8 Å²	48.8	40%	0.403	25%	0.246	S	C	.	.	S	Bend	trans	-66.3	-13.8	-175.4	27.1	-36.1	0	0	0	113.7	T48 K108 D109	T48-P50 WeakPolarHBondContact O-CD 3.32Å; P50-K108 CarbonylContact O-C 3.49Å; P50-K108 VanDerWaalsContact O-CA 3.22Å; P50-K108 WeakPolarHBondContact O-CA 3.28Å; P50-D109 PolarHBondContact O-N 2.71Å
51	V	96.3	Very high	95.7	Very high	37 Å²	37	40.9 Å²	40.9	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	110.5	173.4	-172.1	0	0	0	0	108.4	H49 I79 P80 F106 W107 K108 A132	H49-V51 PolarHBondContact O-N 2.95Å; H49-V51 VanDerWaalsContact O-N 3.07Å; V51-I79 HydrophobicContact CG1-CD1 4.13Å; V51-I79 HydrophobicContact CG1-CG1 4.07Å; V51-I79 HydrophobicContact CG1-CG2 4.21Å; V51-P80 WeakPolarHBondContact O-CD 3.3Å; V51-F106 HydrophobicContact CG1-CE2 3.71Å; V51-F106 HydrophobicContact CG1-CZ 3.62Å; V51-W107 VanDerWaalsContact CA-O 3.28Å; V51-W107 WeakPolarHBondContact CA-O 3.33Å; V51-K108 HydrophobicContact CG2-CG 4.28Å; V51-A132 HydrophobicContact CG1-CB 4.47Å
52	A	97.6	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148.7	-177.4	0	0	0	0	0	110.3	F45 L46 P80 F106 W107	F45-A52 HydrophobicContact CE1-CB 3.8Å; F45-A52 HydrophobicContact CZ-CB 4.2Å; L46-A52 HydrophobicContact CD2-CB 4.42Å; A52-P80 HydrophobicContact CB-CG 3.95Å; A52-F106 CarbonylContact O-C 3.6Å; A52-W107 PolarHBondContact N-O 3.42Å; A52-W107 PolarHBondContact O-N 2.81Å
53	L	98.2	Very high	95.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.5	166.3	179.1	67.7	0	0	0	107.9	Y71 P80 L81 A82 L104 F106 Y115 I124 V128	L53-Y71 VanDerWaalsContact C-OH 3.31Å; L53-Y71 HydrophobicContact CD2-CE2 3.66Å; L53-Y71 HydrophobicContact CG-CE2 4.06Å; L53-Y71 PolarHBondContact O-OH 2.91Å; L53-P80 PolarHBondContact N-O 3.24Å; L53-L81 HydrophobicContact CB-CD2 3.61Å; L53-L81 HydrophobicContact CD2-CD2 3.83Å; L53-L81 HydrophobicContact CG-CD2 4.14Å; L53-A82 PolarHBondContact O-N 2.71Å; L53-L104 HydrophobicContact CD1-CB 4.26Å; L53-L104 HydrophobicContact CD1-CD2 4.49Å; L53-L104 HydrophobicContact CD2-CD2 4.2Å; L53-F106 HydrophobicContact CB-CD2 4.35Å; L53-F106 HydrophobicContact CD1-CB 3.91Å; L53-Y115 HydrophobicContact CD1-CD2 4.16Å; L53-Y115 HydrophobicContact CD2-CD2 4.33Å; L53-I124 HydrophobicContact CD2-CG2 3.7Å; L53-V128 HydrophobicContact CB-CG2 4.29Å; L53-V128 HydrophobicContact CD2-CG2 3.62Å; L53-V128 HydrophobicContact CG-CG2 4.41Å
54	V	98.4	Very high	95.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.8	-179.1	-172.2	0	0	0	0	110.5	L37 Y42 L46 F56 A82 L104 K105	L37-V54 HydrophobicContact CD1-CG1 3.98Å; L37-V54 HydrophobicContact CD1-CG2 4.3Å; Y42-V54 HydrophobicContact CE2-CG1 4.19Å; L46-V54 HydrophobicContact CD2-CG2 4.32Å; V54-F56 HydrophobicContact CB-CE2 4.19Å; V54-F56 HydrophobicContact CG1-CD2 4.46Å; V54-F56 HydrophobicContact CG1-CE1 4.49Å; V54-F56 HydrophobicContact CG1-CE2 3.95Å; V54-F56 HydrophobicContact CG1-CZ 3.98Å; V54-A82 CarbonylContact C-O 3.57Å; V54-A82 WeakPolarHBondContact CA-O 3.49Å; V54-A82 HydrophobicContact CG1-CB 4.39Å; V54-A82 HydrophobicContact CG2-CB 4.25Å; V54-L104 WeakPolarHBondContact O-CA 3.49Å; V54-K105 PolarHBondContact N-O 2.82Å; V54-K105 PolarHBondContact O-N 3.23Å
55	E	98.4	Very high	95.2	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.6	169.2	179.8	-178.3	-162.2	0	0	111.1	F57 Y71 A82 K83 L84 P102 L104	E55-F57 HydrophobicContact CG-CB 4.12Å; E55-Y71 HydrophobicContact CB-CE1 4.01Å; E55-Y71 HydrophobicContact CB-CE2 4.32Å; E55-Y71 PolarHBondContact N-OH 2.89Å; E55-A82 PolarHBondContact N-O 2.94Å; E55-K83 HydrophobicContact CB-CB 4.35Å; E55-K83 CarbonylContact O-C 3.57Å; E55-K83 VanDerWaalsContact O-CA 3.28Å; E55-K83 WeakPolarHBondContact O-CA 3.13Å; E55-L84 PolarHBondContact O-N 3Å; E55-P102 HydrophobicContact CG-CB 4.27Å; E55-P102 WeakPolarHBondContact OE1-CB 3.41Å; E55-L104 HydrophobicContact CB-CD1 4.14Å; E55-L104 HydrophobicContact CB-CG 4.14Å; E55-L104 HydrophobicContact CG-CD1 3.83Å; E55-L104 HydrophobicContact CG-CG 4.39Å
56	F	98.3	Very high	95.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.3	166	-57.5	-94.1	0	0	0	108.4	Y42 V54 L84 A86 V92 E96 V98 P102 T103 K105	Y42-F56 AromaticContact CE2-CE1 3.99Å; Y42-F56 HydrophobicContact CE2-CE1 3.99Å; Y42-F56 AromaticContact CE2-CZ 3.76Å; Y42-F56 HydrophobicContact CE2-CZ 3.76Å; Y42-F56 AromaticContact CZ-CZ 3.95Å; V54-F56 HydrophobicContact CB-CE2 4.19Å; V54-F56 HydrophobicContact CG1-CD2 4.46Å; V54-F56 HydrophobicContact CG1-CE1 4.49Å; V54-F56 HydrophobicContact CG1-CE2 3.95Å; V54-F56 HydrophobicContact CG1-CZ 3.98Å; F56-L84 WeakPolarHBondContact CA-O 3.39Å; F56-L84 HydrophobicContact CD1-CB 4.38Å; F56-L84 HydrophobicContact CD1-CD2 3.9Å; F56-L84 HydrophobicContact CE1-CD1 4.49Å; F56-L84 HydrophobicContact CE1-CD2 4.37Å; F56-A86 HydrophobicContact CB-CB 4.23Å; F56-V92 HydrophobicContact CE1-CG1 3.84Å; F56-E96 HydrophobicContact CE1-CB 4.14Å; F56-E96 HydrophobicContact CE1-CG 4.1Å; F56-E96 HydrophobicContact CZ-CB 4.05Å; F56-E96 HydrophobicContact CZ-CG 3.91Å; F56-V98 HydrophobicContact CB-CB 4.49Å; F56-V98 HydrophobicContact CB-CG1 3.83Å; F56-V98 HydrophobicContact CB-CG2 3.8Å; F56-V98 HydrophobicContact CD1-CG2 3.53Å; F56-V98 HydrophobicContact CD2-CG2 4.13Å; F56-V98 HydrophobicContact CE1-CG2 4.13Å; F56-V98 HydrophobicContact CG-CG1 4.49Å; F56-V98 HydrophobicContact CG-CG2 3.54Å; F56-P102 WeakPolarHBondContact O-CA 3.46Å; F56-T103 HydrophobicContact CD2-CG2 4.38Å; F56-T103 WeakPolarHBondContact CD2-O 3.38Å; F56-T103 PolarHBondContact N-O 3.24Å; F56-T103 PolarHBondContact O-N 3.08Å; F56-K105 HydrophobicContact CE2-CB 4.19Å; F56-K105 HydrophobicContact CE2-CD 3.9Å; F56-K105 HydrophobicContact CE2-CG 3.99Å; F56-K105 HydrophobicContact CZ-CD 4.5Å
57	F	98	Very high	95.2	Very high	43 Å²	43	53.4 Å²	53.4	19%	0.189	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	172.9	-172.5	77	-82.8	0	0	0	112.5	E55 P59 C64 K83 L84 D85 A86	E55-F57 HydrophobicContact CG-CB 4.12Å; F57-P59 HydrophobicContact CE2-CG 4.17Å; F57-C64 HydrophobicContact CB-CB 3.91Å; F57-C64 VanDerWaalsContact CB-SG 3.57Å; F57-K83 HydrophobicContact CD1-CB 4.11Å; F57-K83 HydrophobicContact CE1-CB 3.96Å; F57-K83 HydrophobicContact CE1-CD 4.33Å; F57-K83 HydrophobicContact CE1-CG 4.09Å; F57-L84 VanDerWaalsContact CD1-C 3.49Å; F57-L84 VanDerWaalsContact CD1-O 3.23Å; F57-L84 WeakPolarHBondContact CD1-O 3.4Å; F57-L84 VanDerWaalsContact CE1-C 3.42Å; F57-L84 PolarHBondContact N-O 3.41Å; F57-D85 HydrophobicContact CE1-CB 4.16Å; F57-D85 HydrophobicContact CE2-CB 4.3Å; F57-D85 HydrophobicContact CZ-CB 3.87Å; F57-A86 PolarHBondContact O-N 3.23Å
58	A	95.8	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.			trans	-130.5	133.6	167	0	0	0	0	0	108.7	W60 C61 T87 Y101	A58-W60 HydrophobicContact CB-CD2 4.12Å; A58-W60 HydrophobicContact CB-CH2 4.29Å; A58-W60 HydrophobicContact CB-CZ2 3.78Å; A58-W60 PolarHBondContact O-N 2.91Å; A58-W60 VanDerWaalsContact O-N 3.16Å; A58-C61 HydrophobicContact CB-CB 4.12Å; A58-C61 VanDerWaalsContact O-CB 3.31Å; A58-C61 WeakPolarHBondContact O-CB 3.42Å; A58-C61 PolarHBondContact O-N 3.35Å; A58-T87 HydrophobicContact CB-CG2 3.46Å; A58-T87 VanDerWaalsContact CB-CG2 3.46Å; A58-Y101 HydrophobicContact CB-CD1 4.47Å; A58-Y101 HydrophobicContact CB-CD2 3.46Å; A58-Y101 VanDerWaalsContact CB-CD2 3.46Å; A58-Y101 HydrophobicContact CB-CE2 3.84Å; A58-Y101 HydrophobicContact CB-CG 3.8Å
59	P	93.7	Very high	95.4	Very high	65 Å²	65	46 Å²	46	42%	0.422	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.4	-174.7	-26.1	33	0	0	0	113.6	F57 C61 D85	F57-P59 HydrophobicContact CE2-CG 4.17Å; P59-C61 VanDerWaalsContact C-N 3.33Å; P59-D85 WeakPolarHBondContact CD-OD1 3.34Å; P59-D85 WeakPolarHBondContact CD-OD2 3.42Å; P59-D85 WeakPolarHBondContact CG-OD2 3.49Å
60	W	89.1	Confident	95.5	Very high	178 Å²	178	45.4 Å²	45.4	67%	0.674	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.1	179.5	50.5	-100.4	0	0	0	113.8	A58 G62 T87 Y101	A58-W60 HydrophobicContact CB-CD2 4.12Å; A58-W60 HydrophobicContact CB-CH2 4.29Å; A58-W60 HydrophobicContact CB-CZ2 3.78Å; A58-W60 PolarHBondContact O-N 2.91Å; A58-W60 VanDerWaalsContact O-N 3.16Å; W60-G62 PolarHBondContact O-N 3.11Å; W60-T87 HydrophobicContact CZ2-CG2 4.14Å; W60-Y101 HydrophobicContact CH2-CD2 4.15Å; W60-Y101 HydrophobicContact CH2-CE2 4.31Å; W60-Y101 HydrophobicContact CZ2-CD2 4.38Å; W60-Y101 HydrophobicContact CZ2-CE2 4.23Å
61	C	91	Very high	95.7	Very high	16 Å²	16	42.5 Å²	42.5	11%	0.108	21%	0.214	C	C	.	.			trans	-82.8	116.7	-177.9	178.6	0	0	0	0	111.7	A58 P59 H63 C64 M65 Y101	A58-C61 HydrophobicContact CB-CB 4.12Å; A58-C61 VanDerWaalsContact O-CB 3.31Å; A58-C61 WeakPolarHBondContact O-CB 3.42Å; A58-C61 PolarHBondContact O-N 3.35Å; P59-C61 VanDerWaalsContact C-N 3.33Å; C61-H63 PolarHBondContact O-N 3.17Å; C61-H63 VanDerWaalsContact O-N 3.16Å; C61-H63 PolarHBondContact SG-N 2.91Å; C61-C64 HydrophobicContact CB-CB 3.91Å; C61-C64 VanDerWaalsContact CB-SG 3.52Å; C61-C64 WeakPolarHBondContact O-CB 3.41Å; C61-C64 PolarHBondContact O-N 3.4Å; C61-M65 PolarHBondContact O-N 3.15Å; C61-Y101 PolarHBondContact SG-O 3.03Å; C61-Y101 VanDerWaalsContact SG-O 3.32Å
62	G	90.2	Very high	95.7	Very high	32 Å²	32	43.6 Å²	43.6	33%	0.33	22%	0.217	S	C	.	.	H	α-helix	trans	-59.6	-25.8	177.1	0	0	0	0	0	114.8	W60 R66	W60-G62 PolarHBondContact O-N 3.11Å; G62-R66 WeakPolarHBondContact O-CG 3.21Å; G62-R66 PolarHBondContact O-N 3.33Å; G62-R66 PolarHBondContact O-NH1 3.46Å
63	H	92.2	Very high	95.6	Very high	93 Å²	93	50.2 Å²	50.2	43%	0.431	25%	0.245	S	C	.	.	H	α-helix	trans	-74.9	-37.9	174	-69.7	-178.7	0	0	0	111.9	C61 R66 L67 P102	C61-H63 PolarHBondContact O-N 3.17Å; C61-H63 VanDerWaalsContact O-N 3.16Å; C61-H63 PolarHBondContact SG-N 2.91Å; H63-R66 PolarHBondContact CD2-NH2 3.37Å; H63-R66 PolarHBondContact NE2-NH2 3.19Å; H63-R66 PolarHBondContact O-N 2.61Å; H63-L67 WeakPolarHBondContact O-CB 3.47Å; H63-L67 PolarHBondContact O-N 3.16Å; H63-L67 VanDerWaalsContact O-N 3.11Å; H63-P102 VanDerWaalsContact CB-CD 3.47Å; H63-P102 HydrophobicContact CB-CG 4.45Å
64	C	96	Very high	95.4	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-46.8	175.2	-62	0	0	0	0	111.1	F57 C61 R66 L67 A68 P102	F57-C64 HydrophobicContact CB-CB 3.91Å; F57-C64 VanDerWaalsContact CB-SG 3.57Å; C61-C64 HydrophobicContact CB-CB 3.91Å; C61-C64 VanDerWaalsContact CB-SG 3.52Å; C61-C64 WeakPolarHBondContact O-CB 3.41Å; C61-C64 PolarHBondContact O-N 3.4Å; C64-R66 PolarHBondContact O-N 2.8Å; C64-L67 PolarHBondContact O-N 2.96Å; C64-A68 PolarHBondContact O-N 2.99Å; C64-P102 VanDerWaalsContact SG-N 3.36Å
65	M	95.8	Very high	95.1	Very high	113 Å²	113	58.4 Å²	58.4	56%	0.557	28%	0.284	S	S	*	.	H	α-helix	trans	-58.8	-33	177.9	-71.9	-174.5	-94.2	0	0	113.1	C61 P69	C61-M65 PolarHBondContact O-N 3.15Å; M65-P69 WeakPolarHBondContact O-CD 3.39Å
66	R	96.5	Very high	94.9	Very high	163 Å²	163	58.7 Å²	58.7	62%	0.615	29%	0.285	S	S	*	.	H	α-helix	trans	-77.5	-31.4	174.9	-72.9	-165.8	-58.9	-92.5	16.1	113.3	G62 H63 C64	G62-R66 WeakPolarHBondContact O-CG 3.21Å; G62-R66 PolarHBondContact O-N 3.33Å; G62-R66 PolarHBondContact O-NH1 3.46Å; H63-R66 PolarHBondContact CD2-NH2 3.37Å; H63-R66 PolarHBondContact NE2-NH2 3.19Å; H63-R66 PolarHBondContact O-N 2.61Å; C64-R66 PolarHBondContact O-N 2.8Å
67	L	97.4	Very high	94.5	Very high	4 Å²	4	63 Å²	63	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-77.7	-38.3	179.6	-179.2	59.6	0	0	0	111.8	H63 C64 E70 Y71 P102 L104 R119 I124	H63-L67 WeakPolarHBondContact O-CB 3.47Å; H63-L67 PolarHBondContact O-N 3.16Å; H63-L67 VanDerWaalsContact O-N 3.11Å; C64-L67 PolarHBondContact O-N 2.96Å; L67-E70 CarbonylContact O-C 3.48Å; L67-E70 WeakPolarHBondContact O-CA 3.36Å; L67-E70 WeakPolarHBondContact O-CB 3.48Å; L67-E70 PolarHBondContact O-N 2.76Å; L67-Y71 WeakPolarHBondContact O-CB 3.47Å; L67-Y71 PolarHBondContact O-N 3.18Å; L67-P102 HydrophobicContact CD2-CB 3.89Å; L67-P102 HydrophobicContact CD2-CG 3.69Å; L67-L104 HydrophobicContact CD2-CD1 3.55Å; L67-L104 HydrophobicContact CD2-CD2 4.22Å; L67-R119 HydrophobicContact CD1-CB 3.97Å; L67-R119 HydrophobicContact CD1-CG 4.27Å; L67-R119 WeakPolarHBondContact CD1-O 3.34Å; L67-I124 HydrophobicContact CD1-CD1 4.06Å
68	A	96.3	Very high	94.3	Very high	32 Å²	32	64.9 Å²	64.9	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-44.9	-54	-176.7	0	0	0	0	0	114.5	C64 E70 Y71 E72	C64-A68 PolarHBondContact O-N 2.99Å; A68-E70 PolarHBondContact O-N 3.44Å; A68-Y71 PolarHBondContact O-N 2.78Å; A68-E72 WeakPolarHBondContact O-CB 3.45Å; A68-E72 VanDerWaalsContact O-CG 3.24Å; A68-E72 WeakPolarHBondContact O-CG 3.45Å; A68-E72 PolarHBondContact O-N 3.48Å
69	P	96.3	Very high	94.3	Very high	56 Å²	56	66 Å²	66	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-68.1	-22.6	-179.5	28.1	-36.9	0	0	0	113.8	M65 K73	M65-P69 WeakPolarHBondContact O-CD 3.39Å; P69-K73 VanDerWaalsContact O-CD 3.28Å; P69-K73 WeakPolarHBondContact O-CD 3.46Å; P69-K73 VanDerWaalsContact O-CE 3.31Å; P69-K73 WeakPolarHBondContact O-CE 3.47Å; P69-K73 WeakPolarHBondContact O-CG 3.48Å
70	E	97.5	Very high	94.5	Very high	50 Å²	50	64.3 Å²	64.3	23%	0.234	35%	0.348	C	S	.	.	H	α-helix	trans	-82.8	-37.7	175.6	-65.5	-56.1	125.1	0	0	111.2	L67 A68 K73 A74 R119 D120 G121	L67-E70 CarbonylContact O-C 3.48Å; L67-E70 WeakPolarHBondContact O-CA 3.36Å; L67-E70 WeakPolarHBondContact O-CB 3.48Å; L67-E70 PolarHBondContact O-N 2.76Å; A68-E70 PolarHBondContact O-N 3.44Å; E70-K73 PolarHBondContact O-N 2.86Å; E70-K73 IonicContact OE1-NZ 2.69Å; E70-K73 PolarHBondContact OE1-NZ 2.94Å; E70-A74 PolarHBondContact O-N 3.28Å; E70-R119 VanDerWaalsContact CB-O 3.3Å; E70-R119 WeakPolarHBondContact CB-O 3.41Å; E70-D120 WeakPolarHBondContact OE2-CA 3.33Å; E70-G121 WeakPolarHBondContact O-CA 3.44Å; E70-G121 PolarHBondContact OE2-N 3.38Å
71	Y	97.6	Very high	94.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-42	174.5	-160.9	-106.1	0	0	0	111.6	V34 L53 E55 L67 A68 K73 A74 L81 A82 L104 I124	V34-Y71 HydrophobicContact CG1-CD1 4.02Å; V34-Y71 HydrophobicContact CG1-CE1 3.73Å; V34-Y71 HydrophobicContact CG2-CD1 4Å; V34-Y71 HydrophobicContact CG2-CE1 4.38Å; L53-Y71 VanDerWaalsContact C-OH 3.31Å; L53-Y71 HydrophobicContact CD2-CE2 3.66Å; L53-Y71 HydrophobicContact CG-CE2 4.06Å; L53-Y71 PolarHBondContact O-OH 2.91Å; E55-Y71 HydrophobicContact CB-CE1 4.01Å; E55-Y71 HydrophobicContact CB-CE2 4.32Å; E55-Y71 PolarHBondContact N-OH 2.89Å; L67-Y71 WeakPolarHBondContact O-CB 3.47Å; L67-Y71 PolarHBondContact O-N 3.18Å; A68-Y71 PolarHBondContact O-N 2.78Å; Y71-K73 VanDerWaalsContact C-N 3.28Å; Y71-K73 PolarHBondContact O-N 2.92Å; Y71-A74 WeakPolarHBondContact O-CB 3.48Å; Y71-A74 PolarHBondContact O-N 3.45Å; Y71-L81 HydrophobicContact CD1-CD1 4.35Å; Y71-L81 HydrophobicContact CD2-CD1 4.41Å; Y71-L81 HydrophobicContact CE1-CB 3.82Å; Y71-L81 HydrophobicContact CE1-CD1 4.23Å; Y71-L81 HydrophobicContact CE1-CG 4.49Å; Y71-L81 HydrophobicContact CE2-CD1 4.28Å; Y71-L81 HydrophobicContact CE2-CD2 4.28Å; Y71-L81 HydrophobicContact CG-CD1 4.43Å; Y71-L81 WeakPolarHBondContact O-CD1 3.43Å; Y71-A82 PolarHBondContact OH-O 3.33Å; Y71-A82 VanDerWaalsContact OH-O 3.14Å; Y71-L104 HydrophobicContact CD2-CD2 4.07Å; Y71-L104 HydrophobicContact CE2-CD2 3.69Å; Y71-L104 HydrophobicContact CE2-CG 4.39Å; Y71-I124 HydrophobicContact CD2-CD1 4.06Å
72	E	96.3	Very high	95.2	Very high	60 Å²	60	55.7 Å²	55.7	28%	0.28	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.2	175.6	-69.9	171.8	166.2	0	0	113.2	N32 V34 A68 K83	N32-E72 HydrophobicContact CB-CB 4.14Å; N32-E72 VanDerWaalsContact CB-CD 3.48Å; N32-E72 HydrophobicContact CB-CG 3.78Å; N32-E72 VanDerWaalsContact ND2-CD 3.32Å; N32-E72 PolarHBondContact ND2-OE1 3.36Å; N32-E72 PolarHBondContact ND2-OE2 2.95Å; V34-E72 HydrophobicContact CG2-CB 4.42Å; V34-E72 HydrophobicContact CG2-CG 3.87Å; A68-E72 WeakPolarHBondContact O-CB 3.45Å; A68-E72 VanDerWaalsContact O-CG 3.24Å; A68-E72 WeakPolarHBondContact O-CG 3.45Å; A68-E72 PolarHBondContact O-N 3.48Å; E72-K83 IonicContact OE1-NZ 3.26Å
73	K	94.4	Very high	95.6	Very high	138 Å²	138	55.1 Å²	55.1	60%	0.6	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.4	174.1	-71.8	168.7	-163.3	167	0	113.4	P69 E70 Y71 E75	P69-K73 VanDerWaalsContact O-CD 3.28Å; P69-K73 WeakPolarHBondContact O-CD 3.46Å; P69-K73 VanDerWaalsContact O-CE 3.31Å; P69-K73 WeakPolarHBondContact O-CE 3.47Å; P69-K73 WeakPolarHBondContact O-CG 3.48Å; E70-K73 PolarHBondContact O-N 2.86Å; E70-K73 IonicContact OE1-NZ 2.69Å; E70-K73 PolarHBondContact OE1-NZ 2.94Å; Y71-K73 VanDerWaalsContact C-N 3.28Å; Y71-K73 PolarHBondContact O-N 2.92Å; K73-E75 VanDerWaalsContact C-N 3.27Å; K73-E75 PolarHBondContact O-N 3.03Å
74	A	95	Very high	95.9	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	28%	0.282	C	S	.	.			trans	-78.4	68.9	-171.4	0	0	0	0	0	112.2	E70 Y71 I76 L81 I124 V125	E70-A74 PolarHBondContact O-N 3.28Å; Y71-A74 WeakPolarHBondContact O-CB 3.48Å; Y71-A74 PolarHBondContact O-N 3.45Å; A74-I76 PolarHBondContact O-N 3.33Å; A74-L81 HydrophobicContact CB-CD1 3.75Å; A74-L81 WeakPolarHBondContact O-CD1 3.5Å; A74-I124 HydrophobicContact CB-CB 3.89Å; A74-I124 HydrophobicContact CB-CD1 4.32Å; A74-I124 HydrophobicContact CB-CG2 3.73Å; A74-V125 HydrophobicContact CB-CG2 3.99Å
75	E	90.9	Very high	96	Very high	170 Å²	170	51.3 Å²	51.3	79%	0.794	29%	0.285	S	S	*	.			trans	-74.4	115.7	179.3	-165.8	-177.1	167.3	0	0	111.8	K73	K73-E75 VanDerWaalsContact C-N 3.27Å; K73-E75 PolarHBondContact O-N 3.03Å
76	I	94.3	Very high	96.1	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.056	26%	0.26	C	S	.	.			trans	-118.1	105	-178.9	-56.3	152.6	0	0	0	109.1	A74 G78 I79 L81 I124 V125 V128 R129	A74-I76 PolarHBondContact O-N 3.33Å; I76-G78 PolarHBondContact O-N 3.47Å; I76-G78 VanDerWaalsContact O-N 3.08Å; I76-I79 HydrophobicContact CB-CB 4.31Å; I76-I79 HydrophobicContact CG2-CB 3.83Å; I76-I79 HydrophobicContact CG2-CD1 3.88Å; I76-I79 HydrophobicContact CG2-CG1 4.2Å; I76-I79 PolarHBondContact O-N 2.91Å; I76-I79 VanDerWaalsContact O-O 3.1Å; I76-L81 HydrophobicContact CD1-CD2 3.9Å; I76-L81 HydrophobicContact CD1-CG 4.47Å; I76-I124 HydrophobicContact CD1-CG2 4.41Å; I76-V125 HydrophobicContact CG1-CB 4.22Å; I76-V125 HydrophobicContact CG1-CG1 4.31Å; I76-V125 HydrophobicContact CG1-CG2 3.79Å; I76-V128 HydrophobicContact CD1-CB 3.65Å; I76-V128 HydrophobicContact CD1-CG1 3.8Å; I76-V128 HydrophobicContact CD1-CG2 3.82Å; I76-V128 HydrophobicContact CG2-CG1 4.25Å; I76-R129 HydrophobicContact CG2-CG 4.27Å
77	A	91.2	Very high	95.9	Very high	90 Å²	90	41.3 Å²	41.3	74%	0.744	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	118	-179.2	0	0	0	0	0	112.2	I79	A77-I79 VanDerWaalsContact C-N 3.34Å; A77-I79 PolarHBondContact O-N 3.48Å
78	G	92.9	Very high	95.9	Very high	84 Å²	84	48.3 Å²	48.3	87%	0.866	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	1	176.6	0	0	0	0	0	115.9	I76	I76-G78 PolarHBondContact O-N 3.47Å; I76-G78 VanDerWaalsContact O-N 3.08Å
79	I	96.2	Very high	95.9	Very high	23 Å²	23	47.8 Å²	47.8	12%	0.118	27%	0.274	C	S	.	.			trans	-126	107.5	177.8	-59.8	171.9	0	0	0	108	V51 I76 A77 F106 V128 A132	V51-I79 HydrophobicContact CG1-CD1 4.13Å; V51-I79 HydrophobicContact CG1-CG1 4.07Å; V51-I79 HydrophobicContact CG1-CG2 4.21Å; I76-I79 HydrophobicContact CB-CB 4.31Å; I76-I79 HydrophobicContact CG2-CB 3.83Å; I76-I79 HydrophobicContact CG2-CD1 3.88Å; I76-I79 HydrophobicContact CG2-CG1 4.2Å; I76-I79 PolarHBondContact O-N 2.91Å; I76-I79 VanDerWaalsContact O-O 3.1Å; A77-I79 VanDerWaalsContact C-N 3.34Å; A77-I79 PolarHBondContact O-N 3.48Å; I79-F106 HydrophobicContact CG2-CE2 4.37Å; I79-V128 HydrophobicContact CD1-CG1 3.85Å; I79-V128 HydrophobicContact CG2-CG1 3.94Å; I79-A132 HydrophobicContact CD1-CB 3.32Å
80	P	96.7	Very high	95.8	Very high	30 Å²	30	49.1 Å²	49.1	20%	0.195	29%	0.285	C	S	.	.			trans	-66.8	142.6	179.5	29.7	-36.9	0	0	0	111.3	F45 H49 V51 A52 L53	F45-P80 HydrophobicContact CE2-CB 4.41Å; F45-P80 HydrophobicContact CE2-CG 4.33Å; F45-P80 HydrophobicContact CZ-CB 3.96Å; F45-P80 HydrophobicContact CZ-CG 3.74Å; H49-P80 HydrophobicContact CB-CG 3.93Å; V51-P80 WeakPolarHBondContact O-CD 3.3Å; A52-P80 HydrophobicContact CB-CG 3.95Å; L53-P80 PolarHBondContact N-O 3.24Å
81	L	98.1	Very high	95.7	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.5	163.1	-65.3	-166.3	0	0	0	108.8	V34 V35 L53 Y71 A74 I76	V34-L81 HydrophobicContact CG1-CB 4.37Å; V34-L81 HydrophobicContact CG2-CB 4.44Å; V35-L81 PolarHBondContact N-O 2.65Å; L53-L81 HydrophobicContact CB-CD2 3.61Å; L53-L81 HydrophobicContact CD2-CD2 3.83Å; L53-L81 HydrophobicContact CG-CD2 4.14Å; Y71-L81 HydrophobicContact CD1-CD1 4.35Å; Y71-L81 HydrophobicContact CD2-CD1 4.41Å; Y71-L81 HydrophobicContact CE1-CB 3.82Å; Y71-L81 HydrophobicContact CE1-CD1 4.23Å; Y71-L81 HydrophobicContact CE1-CG 4.49Å; Y71-L81 HydrophobicContact CE2-CD1 4.28Å; Y71-L81 HydrophobicContact CE2-CD2 4.28Å; Y71-L81 HydrophobicContact CG-CD1 4.43Å; Y71-L81 WeakPolarHBondContact O-CD1 3.43Å; A74-L81 HydrophobicContact CB-CD1 3.75Å; A74-L81 WeakPolarHBondContact O-CD1 3.5Å; I76-L81 HydrophobicContact CD1-CD2 3.9Å; I76-L81 HydrophobicContact CD1-CG 4.47Å
82	A	98.2	Very high	95.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.7	179.6	0	0	0	0	0	111.5	V35 L37 F45 L53 V54 E55 Y71	V35-A82 HydrophobicContact CB-CB 3.98Å; V35-A82 CarbonylContact O-C 3.48Å; V35-A82 WeakPolarHBondContact O-CA 3.47Å; L37-A82 HydrophobicContact CD1-CB 3.57Å; L37-A82 HydrophobicContact CG-CB 3.9Å; F45-A82 HydrophobicContact CE1-CB 3.88Å; F45-A82 HydrophobicContact CZ-CB 3.94Å; L53-A82 PolarHBondContact O-N 2.71Å; V54-A82 CarbonylContact C-O 3.57Å; V54-A82 WeakPolarHBondContact CA-O 3.49Å; V54-A82 HydrophobicContact CG1-CB 4.39Å; V54-A82 HydrophobicContact CG2-CB 4.25Å; E55-A82 PolarHBondContact N-O 2.94Å; Y71-A82 PolarHBondContact OH-O 3.33Å; Y71-A82 VanDerWaalsContact OH-O 3.14Å
83	K	98.4	Very high	95.6	Very high	21 Å²	21	47.3 Å²	47.3	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.8	178.1	67.5	-173.5	179	-178.1	0	111	E31 V34 V35 I36 L37 E55 F57 E72	E31-K83 WeakPolarHBondContact OE2-CE 3.24Å; E31-K83 IonicContact OE2-NZ 2.75Å; E31-K83 PolarHBondContact OE2-NZ 2.63Å; V34-K83 HydrophobicContact CB-CD 4.3Å; V34-K83 HydrophobicContact CG1-CB 3.88Å; V34-K83 HydrophobicContact CG1-CD 3.85Å; V34-K83 HydrophobicContact CG1-CG 3.71Å; V35-K83 PolarHBondContact O-N 3.37Å; I36-K83 HydrophobicContact CG1-CG 4.49Å; L37-K83 PolarHBondContact N-O 2.98Å; E55-K83 HydrophobicContact CB-CB 4.35Å; E55-K83 CarbonylContact O-C 3.57Å; E55-K83 VanDerWaalsContact O-CA 3.28Å; E55-K83 WeakPolarHBondContact O-CA 3.13Å; F57-K83 HydrophobicContact CD1-CB 4.11Å; F57-K83 HydrophobicContact CE1-CB 3.96Å; F57-K83 HydrophobicContact CE1-CD 4.33Å; F57-K83 HydrophobicContact CE1-CG 4.09Å; E72-K83 IonicContact OE1-NZ 3.26Å
84	L	98.2	Very high	95.5	Very high	0 Å²	0	49 Å²	49	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.8	179.9	-178.1	151.1	0	0	0	109.7	L37 Y42 E55 F56 F57 A86 N89 V92	L37-L84 HydrophobicContact CB-CB 4.15Å; L37-L84 HydrophobicContact CB-CD1 3.96Å; L37-L84 HydrophobicContact CB-CG 4.49Å; L37-L84 WeakPolarHBondContact O-CG 3.12Å; Y42-L84 HydrophobicContact CD2-CD1 3.89Å; Y42-L84 HydrophobicContact CG-CD1 4.49Å; E55-L84 PolarHBondContact O-N 3Å; F56-L84 WeakPolarHBondContact CA-O 3.39Å; F56-L84 HydrophobicContact CD1-CB 4.38Å; F56-L84 HydrophobicContact CD1-CD2 3.9Å; F56-L84 HydrophobicContact CE1-CD1 4.49Å; F56-L84 HydrophobicContact CE1-CD2 4.37Å; F57-L84 VanDerWaalsContact CD1-C 3.49Å; F57-L84 VanDerWaalsContact CD1-O 3.23Å; F57-L84 WeakPolarHBondContact CD1-O 3.4Å; F57-L84 VanDerWaalsContact CE1-C 3.42Å; F57-L84 PolarHBondContact N-O 3.41Å; L84-A86 HydrophobicContact CD2-CB 3.96Å; L84-A86 PolarHBondContact O-N 3.03Å; L84-N89 HydrophobicContact CD1-CB 4.24Å; L84-N89 HydrophobicContact CD2-CB 3.63Å; L84-N89 HydrophobicContact CG-CB 3.98Å; L84-V92 HydrophobicContact CD1-CB 4.02Å; L84-V92 HydrophobicContact CD1-CG1 3.65Å; L84-V92 HydrophobicContact CD1-CG2 4.44Å
85	D	97.9	Very high	95.4	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	99.8	170.7	-176.4	-17.9	0	0	0	108.5	F57 P59 T87 E88 N89	F57-D85 HydrophobicContact CE1-CB 4.16Å; F57-D85 HydrophobicContact CE2-CB 4.3Å; F57-D85 HydrophobicContact CZ-CB 3.87Å; P59-D85 WeakPolarHBondContact CD-OD1 3.34Å; P59-D85 WeakPolarHBondContact CD-OD2 3.42Å; P59-D85 WeakPolarHBondContact CG-OD2 3.49Å; D85-T87 PolarHBondContact O-N 2.95Å; D85-T87 WeakPolarHBondContact OD1-CA 3.25Å; D85-T87 VanDerWaalsContact OD1-CB 3.31Å; D85-T87 WeakPolarHBondContact OD1-CB 3.34Å; D85-T87 PolarHBondContact OD1-N 2.91Å; D85-T87 PolarHBondContact OD1-OG1 3.45Å; D85-E88 HydrophobicContact CB-CB 4.46Å; D85-E88 PolarHBondContact O-N 3.24Å; D85-E88 PolarHBondContact OD1-N 3.26Å; D85-N89 WeakPolarHBondContact O-CB 3.49Å; D85-N89 PolarHBondContact O-N 3.48Å; D85-N89 PolarHBondContact O-ND2 2.83Å
86	A	97.3	Very high	95.4	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-2.1	-175.8	0	0	0	0	0	112.9	F56 F57 L84 A93 V98 Y101	F56-A86 HydrophobicContact CB-CB 4.23Å; F57-A86 PolarHBondContact O-N 3.23Å; L84-A86 HydrophobicContact CD2-CB 3.96Å; L84-A86 PolarHBondContact O-N 3.03Å; A86-A93 HydrophobicContact CB-CB 3.8Å; A86-V98 HydrophobicContact CB-CG1 4.45Å; A86-Y101 HydrophobicContact CB-CD1 4.29Å; A86-Y101 HydrophobicContact CB-CE1 3.4Å
87	T	94.1	Very high	95	Very high	60 Å²	60	48.8 Å²	48.8	37%	0.368	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-26.2	170.8	72	0	0	0	0	112.5	A58 W60 D85 Y101	A58-T87 HydrophobicContact CB-CG2 3.46Å; A58-T87 VanDerWaalsContact CB-CG2 3.46Å; W60-T87 HydrophobicContact CZ2-CG2 4.14Å; D85-T87 PolarHBondContact O-N 2.95Å; D85-T87 WeakPolarHBondContact OD1-CA 3.25Å; D85-T87 VanDerWaalsContact OD1-CB 3.31Å; D85-T87 WeakPolarHBondContact OD1-CB 3.34Å; D85-T87 PolarHBondContact OD1-N 2.91Å; D85-T87 PolarHBondContact OD1-OG1 3.45Å; T87-Y101 HydrophobicContact CG2-CE2 4.2Å
88	E	95.7	Very high	94.9	Very high	151 Å²	151	45.3 Å²	45.3	71%	0.706	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-26.9	173	-63.9	-170.4	162	0	0	112.5	D85	D85-E88 HydrophobicContact CB-CB 4.46Å; D85-E88 PolarHBondContact O-N 3.24Å; D85-E88 PolarHBondContact OD1-N 3.26Å
89	N	97.3	Very high	94.5	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.118	25%	0.248	C	C	.	.			trans	-111	67.4	-173.8	-61.3	-78.5	0	0	0	111.7	N38 D39 L84 D85 A91 A93	N38-N89 WeakPolarHBondContact CA-OD1 3.4Å; N38-N89 WeakPolarHBondContact CB-OD1 3.33Å; D39-N89 PolarHBondContact N-OD1 3.31Å; D39-N89 VanDerWaalsContact OD1-C 3.24Å; D39-N89 WeakPolarHBondContact OD1-CA 3.29Å; D39-N89 WeakPolarHBondContact OD1-CB 3.33Å; D39-N89 WeakPolarHBondContact OD2-CA 3.39Å; L84-N89 HydrophobicContact CD1-CB 4.24Å; L84-N89 HydrophobicContact CD2-CB 3.63Å; L84-N89 HydrophobicContact CG-CB 3.98Å; D85-N89 WeakPolarHBondContact O-CB 3.49Å; D85-N89 PolarHBondContact O-N 3.48Å; D85-N89 PolarHBondContact O-ND2 2.83Å; N89-A91 VanDerWaalsContact C-N 3.32Å; N89-A91 PolarHBondContact O-N 3.09Å; N89-A93 VanDerWaalsContact O-CB 3.29Å; N89-A93 WeakPolarHBondContact O-CB 3.31Å; N89-A93 PolarHBondContact O-N 2.78Å
90	S	93.7	Very high	94.1	Very high	84 Å²	84	47.2 Å²	47.2	59%	0.587	26%	0.257	S	S	*	.	H	α-helix	trans	-69.8	-25.1	-171.3	70	0	0	0	0	113.9	D39 K94	D39-S90 PolarHBondContact OD2-N 3.39Å; S90-K94 WeakPolarHBondContact O-CB 3.48Å; S90-K94 PolarHBondContact O-N 2.89Å
91	A	96.2	Very high	93.9	Very high	58 Å²	58	48.8 Å²	48.8	48%	0.479	26%	0.26	S	S	.	.	H	α-helix	trans	-70.4	-49.1	-178.6	0	0	0	0	0	110.4	D39 N89 K94 K95	D39-A91 HydrophobicContact CB-CB 4.39Å; D39-A91 PolarHBondContact OD1-N 3.1Å; D39-A91 WeakPolarHBondContact OD2-CB 3.33Å; D39-A91 PolarHBondContact OD2-N 3.36Å; D39-A91 VanDerWaalsContact OD2-N 3.16Å; N89-A91 VanDerWaalsContact C-N 3.32Å; N89-A91 PolarHBondContact O-N 3.09Å; A91-K94 PolarHBondContact O-N 3.26Å; A91-K95 VanDerWaalsContact O-CB 3.27Å; A91-K95 WeakPolarHBondContact O-CB 3.46Å; A91-K95 PolarHBondContact O-N 2.73Å
92	V	96.9	Very high	93.8	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-45.6	173.6	172.3	0	0	0	0	110.3	D39 Y42 F56 L84 K94 K95 E96	D39-V92 WeakPolarHBondContact OD1-CB 3.37Å; D39-V92 WeakPolarHBondContact OD1-CG2 3.4Å; D39-V92 PolarHBondContact OD1-N 2.96Å; Y42-V92 HydrophobicContact CD1-CG1 3.71Å; Y42-V92 HydrophobicContact CD1-CG2 3.93Å; Y42-V92 HydrophobicContact CD2-CG1 3.7Å; Y42-V92 HydrophobicContact CE1-CG1 3.9Å; Y42-V92 HydrophobicContact CE2-CG1 3.89Å; Y42-V92 HydrophobicContact CG-CB 4.4Å; Y42-V92 HydrophobicContact CG-CG1 3.62Å; Y42-V92 HydrophobicContact CG-CG2 3.82Å; F56-V92 HydrophobicContact CE1-CG1 3.84Å; L84-V92 HydrophobicContact CD1-CB 4.02Å; L84-V92 HydrophobicContact CD1-CG1 3.65Å; L84-V92 HydrophobicContact CD1-CG2 4.44Å; V92-K94 PolarHBondContact O-N 2.86Å; V92-K95 PolarHBondContact O-N 3.01Å; V92-K95 VanDerWaalsContact O-N 3.14Å; V92-E96 HydrophobicContact CG1-CG 3.91Å; V92-E96 VanDerWaalsContact O-CB 3.25Å; V92-E96 WeakPolarHBondContact O-CB 3.21Å; V92-E96 WeakPolarHBondContact O-CG 3.29Å; V92-E96 PolarHBondContact O-N 2.86Å
93	A	94.3	Very high	93.7	Very high	10 Å²	10	50 Å²	50	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-38.9	178.6	0	0	0	0	0	112.4	A86 N89 Q97 V98	A86-A93 HydrophobicContact CB-CB 3.8Å; N89-A93 VanDerWaalsContact O-CB 3.29Å; N89-A93 WeakPolarHBondContact O-CB 3.31Å; N89-A93 PolarHBondContact O-N 2.78Å; A93-Q97 PolarHBondContact O-N 3.29Å; A93-V98 HydrophobicContact CB-CB 4.4Å; A93-V98 HydrophobicContact CB-CG2 4.45Å; A93-V98 PolarHBondContact O-N 2.85Å
94	K	91.9	Very high	93.6	Very high	174 Å²	174	49.6 Å²	49.6	76%	0.757	27%	0.267	S	S	*	.	H	α-helix	trans	-72.3	-46.1	174.9	-177	179.7	178.2	-178.5	0	112.3	S90 A91 V92 E96 Q97	S90-K94 WeakPolarHBondContact O-CB 3.48Å; S90-K94 PolarHBondContact O-N 2.89Å; A91-K94 PolarHBondContact O-N 3.26Å; V92-K94 PolarHBondContact O-N 2.86Å; K94-E96 PolarHBondContact O-N 2.79Å; K94-Q97 PolarHBondContact O-N 2.89Å; K94-Q97 VanDerWaalsContact O-N 3.11Å
95	K	92.1	Very high	93.5	Very high	108 Å²	108	49.7 Å²	49.7	47%	0.47	27%	0.267	S	S	.	.	H	α-helix	trans	-54.5	-46.3	176.3	177.6	-175.1	175.4	178.8	0	110.5	D43 A91 V92 Q97	D43-K95 IonicContact OD1-NZ 3.48Å; D43-K95 PolarHBondContact OD1-NZ 3.13Å; D43-K95 IonicContact OD2-NZ 3.86Å; D43-K95 PolarHBondContact OD2-NZ 2.63Å; A91-K95 VanDerWaalsContact O-CB 3.27Å; A91-K95 WeakPolarHBondContact O-CB 3.46Å; A91-K95 PolarHBondContact O-N 2.73Å; V92-K95 PolarHBondContact O-N 3.01Å; V92-K95 VanDerWaalsContact O-N 3.14Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 3.17Å
96	E	91.4	Very high	93.4	Very high	13 Å²	13	49 Å²	49	6%	0.061	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.3	-178.5	-63.8	-53	137.2	0	0	113.8	Y42 F56 V92 K94 V98 K105 W107	Y42-E96 HydrophobicContact CE1-CG 3.92Å; Y42-E96 WeakPolarHBondContact OH-CG 3.15Å; F56-E96 HydrophobicContact CE1-CB 4.14Å; F56-E96 HydrophobicContact CE1-CG 4.1Å; F56-E96 HydrophobicContact CZ-CB 4.05Å; F56-E96 HydrophobicContact CZ-CG 3.91Å; V92-E96 HydrophobicContact CG1-CG 3.91Å; V92-E96 VanDerWaalsContact O-CB 3.25Å; V92-E96 WeakPolarHBondContact O-CB 3.21Å; V92-E96 WeakPolarHBondContact O-CG 3.29Å; V92-E96 PolarHBondContact O-N 2.86Å; K94-E96 PolarHBondContact O-N 2.79Å; E96-V98 VanDerWaalsContact C-N 3.3Å; E96-V98 HydrophobicContact CB-CG2 4.15Å; E96-V98 PolarHBondContact O-N 2.71Å; E96-K105 WeakPolarHBondContact O-CE 3.26Å; E96-K105 PolarHBondContact O-NZ 2.95Å; E96-K105 IonicContact OE2-NZ 2.62Å; E96-K105 PolarHBondContact OE2-NZ 2.91Å; E96-W107 WeakPolarHBondContact OE2-CZ2 3.48Å
97	Q	86.1	Confident	93.4	Very high	56 Å²	56	50 Å²	50	26%	0.262	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	47.5	176.8	-59.2	165.1	25.9	0	0	112.3	A93 K94 K95 M99 T169	A93-Q97 PolarHBondContact O-N 3.29Å; K94-Q97 PolarHBondContact O-N 2.89Å; K94-Q97 VanDerWaalsContact O-N 3.11Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 3.17Å; Q97-M99 WeakPolarHBondContact O-CG 3.36Å; Q97-M99 PolarHBondContact O-N 2.87Å; Q97-M99 VanDerWaalsContact O-N 3.15Å; Q97-T169 VanDerWaalsContact CD-O 3.27Å; Q97-T169 PolarHBondContact NE2-O 2.93Å; Q97-T169 PolarHBondContact OE1-O 3.46Å
98	V	89.2	Confident	93.3	Very high	18 Å²	18	49.6 Å²	49.6	11%	0.109	26%	0.259	C	S	.	.			trans	-70.7	109.7	177	-177.5	0	0	0	0	109	F56 A86 A93 E96 Y101	F56-V98 HydrophobicContact CB-CB 4.49Å; F56-V98 HydrophobicContact CB-CG1 3.83Å; F56-V98 HydrophobicContact CB-CG2 3.8Å; F56-V98 HydrophobicContact CD1-CG2 3.53Å; F56-V98 HydrophobicContact CD2-CG2 4.13Å; F56-V98 HydrophobicContact CE1-CG2 4.13Å; F56-V98 HydrophobicContact CG-CG1 4.49Å; F56-V98 HydrophobicContact CG-CG2 3.54Å; A86-V98 HydrophobicContact CB-CG1 4.45Å; A93-V98 HydrophobicContact CB-CB 4.4Å; A93-V98 HydrophobicContact CB-CG2 4.45Å; A93-V98 PolarHBondContact O-N 2.85Å; E96-V98 VanDerWaalsContact C-N 3.3Å; E96-V98 HydrophobicContact CB-CG2 4.15Å; E96-V98 PolarHBondContact O-N 2.71Å; V98-Y101 HydrophobicContact CG1-CD1 3.9Å; V98-Y101 HydrophobicContact CG1-CE1 3.49Å; V98-Y101 VanDerWaalsContact CG1-CE1 3.49Å
99	M	84	Confident	93	Very high	117 Å²	117	48.2 Å²	48.2	58%	0.576	26%	0.257	S	S	*	.			trans	-97.9	-2.8	-174.3	-60.4	-57.9	-66.3	0	0	114.2	Q97	Q97-M99 WeakPolarHBondContact O-CG 3.36Å; Q97-M99 PolarHBondContact O-N 2.87Å; Q97-M99 VanDerWaalsContact O-N 3.15Å
100	G	87.8	Confident	92.4	Very high	30 Å²	30	50.2 Å²	50.2	31%	0.309	28%	0.282	S	S	.	.	S	Bend	trans	178.6	171.3	-177.3	0	0	0	0	0	111.9	T103	G100-T103 PolarHBondContact O-OG1 3.27Å
101	Y	93.8	Very high	92	Very high	62 Å²	62	51 Å²	51	24%	0.243	28%	0.283	C	S	.	.	S	Bend	trans	-130	141.1	-171.8	-48.2	-63.3	0	0	0	112.4	A58 W60 C61 A86 T87 V98	A58-Y101 HydrophobicContact CB-CD1 4.47Å; A58-Y101 HydrophobicContact CB-CD2 3.46Å; A58-Y101 VanDerWaalsContact CB-CD2 3.46Å; A58-Y101 HydrophobicContact CB-CE2 3.84Å; A58-Y101 HydrophobicContact CB-CG 3.8Å; W60-Y101 HydrophobicContact CH2-CD2 4.15Å; W60-Y101 HydrophobicContact CH2-CE2 4.31Å; W60-Y101 HydrophobicContact CZ2-CD2 4.38Å; W60-Y101 HydrophobicContact CZ2-CE2 4.23Å; C61-Y101 PolarHBondContact SG-O 3.03Å; C61-Y101 VanDerWaalsContact SG-O 3.32Å; A86-Y101 HydrophobicContact CB-CD1 4.29Å; A86-Y101 HydrophobicContact CB-CE1 3.4Å; T87-Y101 HydrophobicContact CG2-CE2 4.2Å; V98-Y101 HydrophobicContact CG1-CD1 3.9Å; V98-Y101 HydrophobicContact CG1-CE1 3.49Å; V98-Y101 VanDerWaalsContact CG1-CE1 3.49Å
102	P	96.2	Very high	91.8	Very high	12 Å²	12	51.5 Å²	51.5	8%	0.078	27%	0.274	C	S	.	.	S	Bend	cis	-71.9	146.9	-11.3	30.5	-33.1	0	0	0	110.7	E55 F56 H63 C64 L67 L104	E55-P102 HydrophobicContact CG-CB 4.27Å; E55-P102 WeakPolarHBondContact OE1-CB 3.41Å; F56-P102 WeakPolarHBondContact O-CA 3.46Å; H63-P102 VanDerWaalsContact CB-CD 3.47Å; H63-P102 HydrophobicContact CB-CG 4.45Å; C64-P102 VanDerWaalsContact SG-N 3.36Å; L67-P102 HydrophobicContact CD2-CB 3.89Å; L67-P102 HydrophobicContact CD2-CG 3.69Å; P102-L104 HydrophobicContact CB-CD1 3.84Å; P102-L104 HydrophobicContact CG-CD1 4.45Å
103	T	95.1	Very high	91.4	Very high	27 Å²	27	54.9 Å²	54.9	17%	0.166	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.7	165.2	-71.5	0	0	0	0	107.7	F56 G100 K105	F56-T103 HydrophobicContact CD2-CG2 4.38Å; F56-T103 WeakPolarHBondContact CD2-O 3.38Å; F56-T103 PolarHBondContact N-O 3.24Å; F56-T103 PolarHBondContact O-N 3.08Å; G100-T103 PolarHBondContact O-OG1 3.27Å; T103-K105 HydrophobicContact CG2-CG 4.39Å
104	L	96.9	Very high	91.1	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.063	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.3	178.4	-85.5	72.9	0	0	0	109.3	L53 V54 E55 L67 Y71 P102 Y115	L53-L104 HydrophobicContact CD1-CB 4.26Å; L53-L104 HydrophobicContact CD1-CD2 4.49Å; L53-L104 HydrophobicContact CD2-CD2 4.2Å; V54-L104 WeakPolarHBondContact O-CA 3.49Å; E55-L104 HydrophobicContact CB-CD1 4.14Å; E55-L104 HydrophobicContact CB-CG 4.14Å; E55-L104 HydrophobicContact CG-CD1 3.83Å; E55-L104 HydrophobicContact CG-CG 4.39Å; L67-L104 HydrophobicContact CD2-CD1 3.55Å; L67-L104 HydrophobicContact CD2-CD2 4.22Å; Y71-L104 HydrophobicContact CD2-CD2 4.07Å; Y71-L104 HydrophobicContact CE2-CD2 3.69Å; Y71-L104 HydrophobicContact CE2-CG 4.39Å; P102-L104 HydrophobicContact CB-CD1 3.84Å; P102-L104 HydrophobicContact CG-CD1 4.45Å; L104-Y115 VanDerWaalsContact CB-CB 3.4Å; L104-Y115 HydrophobicContact CB-CD1 4.27Å; L104-Y115 HydrophobicContact CB-CG 3.98Å; L104-Y115 HydrophobicContact CD2-CD1 3.96Å; L104-Y115 HydrophobicContact CD2-CE1 4.45Å; L104-Y115 HydrophobicContact CD2-CG 4.05Å; L104-Y115 PolarHBondContact O-N 3.44Å
105	K	95.8	Very high	91.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.5	176.5	-66.7	-171.6	179	-167.7	0	110	V54 F56 E96 T103 W107 Y112 L113	V54-K105 PolarHBondContact N-O 2.82Å; V54-K105 PolarHBondContact O-N 3.23Å; F56-K105 HydrophobicContact CE2-CB 4.19Å; F56-K105 HydrophobicContact CE2-CD 3.9Å; F56-K105 HydrophobicContact CE2-CG 3.99Å; F56-K105 HydrophobicContact CZ-CD 4.5Å; E96-K105 WeakPolarHBondContact O-CE 3.26Å; E96-K105 PolarHBondContact O-NZ 2.95Å; E96-K105 IonicContact OE2-NZ 2.62Å; E96-K105 PolarHBondContact OE2-NZ 2.91Å; T103-K105 HydrophobicContact CG2-CG 4.39Å; K105-W107 HydrophobicContact CD-CZ2 4.47Å; K105-Y112 HydrophobicContact CB-CD2 4.11Å; K105-Y112 HydrophobicContact CB-CG 4.3Å; K105-Y112 HydrophobicContact CD-CD1 4.16Å; K105-Y112 HydrophobicContact CD-CD2 3.66Å; K105-Y112 HydrophobicContact CD-CE1 4.26Å; K105-Y112 HydrophobicContact CD-CE2 3.77Å; K105-Y112 HydrophobicContact CD-CG 3.87Å; K105-Y112 HydrophobicContact CG-CD2 3.83Å; K105-Y112 HydrophobicContact CG-CE2 4.16Å; K105-Y112 HydrophobicContact CG-CG 4.33Å; K105-Y112 VanDerWaalsContact NZ-CZ 3.32Å; K105-Y112 PolarHBondContact NZ-OH 3.47Å; K105-L113 WeakPolarHBondContact CA-O 3.28Å
106	F	96.1	Very high	90.8	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	107.8	171.9	175.8	-111.6	0	0	0	109.7	V51 A52 L53 I79 K108 Y112 L113 W127 V128 K131 A132	V51-F106 HydrophobicContact CG1-CE2 3.71Å; V51-F106 HydrophobicContact CG1-CZ 3.62Å; A52-F106 CarbonylContact O-C 3.6Å; L53-F106 HydrophobicContact CB-CD2 4.35Å; L53-F106 HydrophobicContact CD1-CB 3.91Å; I79-F106 HydrophobicContact CG2-CE2 4.37Å; F106-K108 HydrophobicContact CE1-CB 4.11Å; F106-K108 HydrophobicContact CE1-CD 4.32Å; F106-Y112 CarbonylContact O-C 3.53Å; F106-Y112 WeakPolarHBondContact O-CA 3.08Å; F106-L113 HydrophobicContact CD1-CD1 4.34Å; F106-L113 PolarHBondContact N-O 3.3Å; F106-L113 PolarHBondContact O-N 3.2Å; F106-W127 HydrophobicContact CB-CH2 3.97Å; F106-W127 HydrophobicContact CB-CZ3 3.58Å; F106-W127 HydrophobicContact CD1-CZ3 4.17Å; F106-W127 AromaticContact CG-CZ3 3.88Å; F106-W127 HydrophobicContact CG-CZ3 3.88Å; F106-V128 HydrophobicContact CD2-CG1 4.06Å; F106-V128 HydrophobicContact CE2-CG1 3.68Å; F106-V128 HydrophobicContact CZ-CG1 4.46Å; F106-K131 HydrophobicContact CD1-CB 3.87Å; F106-K131 HydrophobicContact CE1-CB 3.66Å; F106-K131 HydrophobicContact CZ-CB 4.45Å; F106-A132 HydrophobicContact CZ-CB 3.85Å
107	W	96	Very high	90.8	Very high	28 Å²	28	53.2 Å²	53.2	11%	0.106	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	138	176.3	-69.2	86.9	0	0	0	110.9	Y42 L46 V51 A52 E96 K105 T111 Y112	Y42-W107 WeakPolarHBondContact OH-CZ2 3.39Å; Y42-W107 PolarHBondContact OH-NE1 3.01Å; L46-W107 HydrophobicContact CD1-CD2 3.71Å; L46-W107 HydrophobicContact CD1-CE3 4.12Å; L46-W107 HydrophobicContact CD1-CG 4.17Å; L46-W107 HydrophobicContact CD1-CH2 4.18Å; L46-W107 HydrophobicContact CD1-CZ2 3.81Å; L46-W107 HydrophobicContact CD1-CZ3 4.33Å; L46-W107 HydrophobicContact CD2-CB 3.98Å; L46-W107 HydrophobicContact CD2-CD2 4.05Å; L46-W107 HydrophobicContact CD2-CG 3.63Å; V51-W107 VanDerWaalsContact CA-O 3.28Å; V51-W107 WeakPolarHBondContact CA-O 3.33Å; A52-W107 PolarHBondContact N-O 3.42Å; A52-W107 PolarHBondContact O-N 2.81Å; E96-W107 WeakPolarHBondContact OE2-CZ2 3.48Å; K105-W107 HydrophobicContact CD-CZ2 4.47Å; W107-T111 CarbonylContact C-O 3.51Å; W107-T111 WeakPolarHBondContact CA-O 3.33Å; W107-Y112 AromaticContact CH2-CD1 3.76Å; W107-Y112 HydrophobicContact CH2-CD1 3.76Å; W107-Y112 AromaticContact CZ2-CD1 3.91Å; W107-Y112 HydrophobicContact CZ2-CD1 3.91Å; W107-Y112 HydrophobicContact CZ2-CG 4.43Å; W107-Y112 HydrophobicContact CZ3-CD1 4.1Å
108	K	92.6	Very high	91.1	Very high	51 Å²	51	55.9 Å²	55.9	22%	0.222	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	114.1	171.7	-168.2	175.9	-168.1	172.1	0	108.8	P50 V51 F106 G110 T111 K131 A132 D133	P50-K108 CarbonylContact O-C 3.49Å; P50-K108 VanDerWaalsContact O-CA 3.22Å; P50-K108 WeakPolarHBondContact O-CA 3.28Å; V51-K108 HydrophobicContact CG2-CG 4.28Å; F106-K108 HydrophobicContact CE1-CB 4.11Å; F106-K108 HydrophobicContact CE1-CD 4.32Å; K108-G110 VanDerWaalsContact C-N 3.33Å; K108-G110 PolarHBondContact O-N 3.38Å; K108-T111 PolarHBondContact N-O 3.35Å; K108-T111 PolarHBondContact O-N 3.21Å; K108-T111 VanDerWaalsContact O-N 3.09Å; K108-T111 PolarHBondContact O-OG1 2.99Å; K108-K131 PolarHBondContact NZ-O 3.1Å; K108-A132 PolarHBondContact NZ-O 2.84Å; K108-D133 PolarHBondContact NZ-O 3.3Å
109	D	88.8	Confident	91.3	Very high	122 Å²	122	61.1 Å²	61.1	65%	0.652	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	45.9	173	-56.8	-46.5	0	0	0	113.3	P50 T111	P50-D109 PolarHBondContact O-N 2.71Å; D109-T111 VanDerWaalsContact C-N 3.28Å; D109-T111 PolarHBondContact O-N 3.43Å
110	G	85.7	Confident	91.9	Very high	64 Å²	64	58.8 Å²	58.8	66%	0.66	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	0.7	177.4	0	0	0	0	0	115.5	K108	K108-G110 VanDerWaalsContact C-N 3.33Å; K108-G110 PolarHBondContact O-N 3.38Å
111	T	86.1	Confident	92.2	Very high	99 Å²	99	57.6 Å²	57.6	61%	0.607	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	163.2	168.8	65	0	0	0	0	110.2	W107 K108 D109	W107-T111 CarbonylContact C-O 3.51Å; W107-T111 WeakPolarHBondContact CA-O 3.33Å; K108-T111 PolarHBondContact N-O 3.35Å; K108-T111 PolarHBondContact O-N 3.21Å; K108-T111 VanDerWaalsContact O-N 3.09Å; K108-T111 PolarHBondContact O-OG1 2.99Å; D109-T111 VanDerWaalsContact C-N 3.28Å; D109-T111 PolarHBondContact O-N 3.43Å
112	Y	90.4	Very high	92.3	Very high	70 Å²	70	61.2 Å²	61.2	28%	0.275	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.3	175.7	70.2	-94.8	0	0	0	112.9	K105 F106 W107 H114	K105-Y112 HydrophobicContact CB-CD2 4.11Å; K105-Y112 HydrophobicContact CB-CG 4.3Å; K105-Y112 HydrophobicContact CD-CD1 4.16Å; K105-Y112 HydrophobicContact CD-CD2 3.66Å; K105-Y112 HydrophobicContact CD-CE1 4.26Å; K105-Y112 HydrophobicContact CD-CE2 3.77Å; K105-Y112 HydrophobicContact CD-CG 3.87Å; K105-Y112 HydrophobicContact CG-CD2 3.83Å; K105-Y112 HydrophobicContact CG-CE2 4.16Å; K105-Y112 HydrophobicContact CG-CG 4.33Å; K105-Y112 VanDerWaalsContact NZ-CZ 3.32Å; K105-Y112 PolarHBondContact NZ-OH 3.47Å; F106-Y112 CarbonylContact O-C 3.53Å; F106-Y112 WeakPolarHBondContact O-CA 3.08Å; W107-Y112 AromaticContact CH2-CD1 3.76Å; W107-Y112 HydrophobicContact CH2-CD1 3.76Å; W107-Y112 AromaticContact CZ2-CD1 3.91Å; W107-Y112 HydrophobicContact CZ2-CD1 3.91Å; W107-Y112 HydrophobicContact CZ2-CG 4.43Å; W107-Y112 HydrophobicContact CZ3-CD1 4.1Å; Y112-H114 AromaticContact CE2-CE1 3.77Å; Y112-H114 AromaticContact CE2-NE2 3.61Å
113	L	88.1	Confident	92.3	Very high	76 Å²	76	61.2 Å²	61.2	40%	0.398	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.2	164.6	-62.7	176.4	0	0	0	109	K105 F106 Y115 W127 K131	K105-L113 WeakPolarHBondContact CA-O 3.28Å; F106-L113 HydrophobicContact CD1-CD1 4.34Å; F106-L113 PolarHBondContact N-O 3.3Å; F106-L113 PolarHBondContact O-N 3.2Å; L113-Y115 PolarHBondContact O-N 2.8Å; L113-W127 HydrophobicContact CB-CH2 4.01Å; L113-K131 HydrophobicContact CD1-CB 4.11Å; L113-K131 HydrophobicContact CD1-CD 4.35Å; L113-K131 HydrophobicContact CD1-CG 4.11Å
114	H	88	Confident	92.5	Very high	86 Å²	86	59.9 Å²	59.9	40%	0.398	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.3	165.2	-73.5	-72.6	0	0	0	109	Y112 D116 I174	Y112-H114 AromaticContact CE2-CE1 3.77Å; Y112-H114 AromaticContact CE2-NE2 3.61Å; H114-D116 PolarHBondContact O-N 2.88Å; H114-I174 WeakPolarHBondContact NE2-CG2 3.46Å
115	Y	92.3	Very high	92.5	Very high	30 Å²	30	60.1 Å²	60.1	12%	0.118	33%	0.326	C	S	.	.			trans	-72.4	120.2	173.1	-176.9	-89.5	0	0	0	109.9	L53 L104 L113 G117 D118 I124 W127	L53-Y115 HydrophobicContact CD1-CD2 4.16Å; L53-Y115 HydrophobicContact CD2-CD2 4.33Å; L104-Y115 VanDerWaalsContact CB-CB 3.4Å; L104-Y115 HydrophobicContact CB-CD1 4.27Å; L104-Y115 HydrophobicContact CB-CG 3.98Å; L104-Y115 HydrophobicContact CD2-CD1 3.96Å; L104-Y115 HydrophobicContact CD2-CE1 4.45Å; L104-Y115 HydrophobicContact CD2-CG 4.05Å; L104-Y115 PolarHBondContact O-N 3.44Å; L113-Y115 PolarHBondContact O-N 2.8Å; Y115-G117 VanDerWaalsContact CE1-C 3.49Å; Y115-G117 VanDerWaalsContact CE1-O 3.26Å; Y115-G117 WeakPolarHBondContact CE1-O 3.38Å; Y115-D118 WeakPolarHBondContact CE1-O 3.45Å; Y115-D118 PolarHBondContact OH-N 3.41Å; Y115-D118 PolarHBondContact OH-O 3.04Å; Y115-I124 HydrophobicContact CE1-CG1 4.47Å; Y115-I124 HydrophobicContact CE2-CG1 4.4Å; Y115-I124 WeakPolarHBondContact OH-CA 3.29Å; Y115-I124 WeakPolarHBondContact OH-CG1 3.41Å; Y115-I124 PolarHBondContact OH-N 3.22Å; Y115-W127 AromaticContact CD2-CD2 3.67Å; Y115-W127 HydrophobicContact CD2-CD2 3.67Å; Y115-W127 AromaticContact CD2-CE3 3.46Å; Y115-W127 HydrophobicContact CD2-CE3 3.46Å; Y115-W127 VanDerWaalsContact CD2-CE3 3.46Å; Y115-W127 HydrophobicContact CD2-CG 4.24Å; Y115-W127 HydrophobicContact CD2-CH2 4.26Å; Y115-W127 HydrophobicContact CD2-CZ2 4.42Å; Y115-W127 AromaticContact CD2-CZ3 3.8Å; Y115-W127 HydrophobicContact CD2-CZ3 3.8Å; Y115-W127 HydrophobicContact CE2-CB 3.83Å; Y115-W127 AromaticContact CE2-CD2 3.65Å; Y115-W127 HydrophobicContact CE2-CD2 3.65Å; Y115-W127 AromaticContact CE2-CE3 3.68Å; Y115-W127 HydrophobicContact CE2-CE3 3.68Å; Y115-W127 AromaticContact CE2-CG 3.74Å; Y115-W127 HydrophobicContact CE2-CG 3.74Å; Y115-W127 HydrophobicContact CE2-CZ3 4.47Å
116	D	87.4	Confident	92.5	Very high	132 Å²	132	63 Å²	63	71%	0.706	35%	0.35	S	S	*	.			trans	-122	11.2	178.6	67.1	-14.2	0	0	0	113	H114 W127	H114-D116 PolarHBondContact O-N 2.88Å; D116-W127 PolarHBondContact OD1-NE1 3.19Å
117	G	90.9	Very high	92.5	Very high	22 Å²	22	64 Å²	64	23%	0.227	35%	0.353	C	S	.	.	S	Bend	trans	-79.3	-176.1	178.4	0	0	0	0	0	114.5	Y115	Y115-G117 VanDerWaalsContact CE1-C 3.49Å; Y115-G117 VanDerWaalsContact CE1-O 3.26Å; Y115-G117 WeakPolarHBondContact CE1-O 3.38Å
118	D	92.1	Very high	92.5	Very high	113 Å²	113	62.6 Å²	62.6	60%	0.604	35%	0.348	S	S	*	.			trans	-66.1	156	178.3	-65.5	-42	0	0	0	112	Y115 D120	Y115-D118 WeakPolarHBondContact CE1-O 3.45Å; Y115-D118 PolarHBondContact OH-N 3.41Å; Y115-D118 PolarHBondContact OH-O 3.04Å; D118-D120 WeakPolarHBondContact CB-OD2 3.44Å
119	R	94.2	Very high	92.7	Very high	128 Å²	128	67.1 Å²	67.1	48%	0.483	36%	0.364	S	S	.	.	S	Bend	trans	-100.8	13.3	-173.5	-71.2	-172.1	-179.5	-166.1	-2.1	114.1	L67 E70	L67-R119 HydrophobicContact CD1-CB 3.97Å; L67-R119 HydrophobicContact CD1-CG 4.27Å; L67-R119 WeakPolarHBondContact CD1-O 3.34Å; E70-R119 VanDerWaalsContact CB-O 3.3Å; E70-R119 WeakPolarHBondContact CB-O 3.41Å
120	D	95.3	Very high	92.9	Very high	67 Å²	67	66 Å²	66	36%	0.358	35%	0.354	S	S	.	.	S	Bend	trans	-96.8	159.8	169.4	61.8	88.4	0	0	0	111.3	E70 D118 D122 G123 I124	E70-D120 WeakPolarHBondContact OE2-CA 3.33Å; D118-D120 WeakPolarHBondContact CB-OD2 3.44Å; D120-D122 VanDerWaalsContact C-N 3.33Å; D120-D122 PolarHBondContact O-N 2.91Å; D120-D122 PolarHBondContact OD1-N 2.94Å; D120-G123 PolarHBondContact O-N 3.28Å; D120-G123 PolarHBondContact OD1-N 3.17Å; D120-I124 WeakPolarHBondContact O-CG1 3.41Å; D120-I124 PolarHBondContact O-N 2.98Å
121	G	95.1	Very high	93.3	Very high	5 Å²	5	64 Å²	64	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-40.7	-174	0	0	0	0	0	113.9	E70 I124 V125	E70-G121 WeakPolarHBondContact O-CA 3.44Å; E70-G121 PolarHBondContact OE2-N 3.38Å; G121-I124 PolarHBondContact O-N 2.76Å; G121-V125 VanDerWaalsContact O-CG2 3.24Å; G121-V125 WeakPolarHBondContact O-CG2 3.32Å; G121-V125 PolarHBondContact O-N 3.35Å
122	D	96.1	Very high	93.6	Very high	139 Å²	139	60.2 Å²	60.2	74%	0.743	31%	0.306	S	S	*	.	H	α-helix	trans	-68.3	-41.2	179.7	-73.6	-27.3	0	0	0	111.3	D120 V125 A126	D120-D122 VanDerWaalsContact C-N 3.33Å; D120-D122 PolarHBondContact O-N 2.91Å; D120-D122 PolarHBondContact OD1-N 2.94Å; D122-V125 PolarHBondContact O-N 3.24Å; D122-A126 WeakPolarHBondContact O-CB 3.4Å; D122-A126 PolarHBondContact O-N 3.31Å
123	G	95.7	Very high	93.6	Very high	11 Å²	11	60.7 Å²	60.7	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-45	174.2	0	0	0	0	0	113.1	D120 A126 W127	D120-G123 PolarHBondContact O-N 3.28Å; D120-G123 PolarHBondContact OD1-N 3.17Å; G123-A126 PolarHBondContact O-N 3.38Å; G123-W127 VanDerWaalsContact O-CB 3.31Å; G123-W127 WeakPolarHBondContact O-CB 3.43Å; G123-W127 PolarHBondContact O-N 2.88Å
124	I	97.8	Very high	93.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-48.8	175.6	-65	159.7	0	0	0	110.7	L53 L67 Y71 A74 I76 Y115 D120 G121 A126 W127 V128	L53-I124 HydrophobicContact CD2-CG2 3.7Å; L67-I124 HydrophobicContact CD1-CD1 4.06Å; Y71-I124 HydrophobicContact CD2-CD1 4.06Å; A74-I124 HydrophobicContact CB-CB 3.89Å; A74-I124 HydrophobicContact CB-CD1 4.32Å; A74-I124 HydrophobicContact CB-CG2 3.73Å; I76-I124 HydrophobicContact CD1-CG2 4.41Å; Y115-I124 HydrophobicContact CE1-CG1 4.47Å; Y115-I124 HydrophobicContact CE2-CG1 4.4Å; Y115-I124 WeakPolarHBondContact OH-CA 3.29Å; Y115-I124 WeakPolarHBondContact OH-CG1 3.41Å; Y115-I124 PolarHBondContact OH-N 3.22Å; D120-I124 WeakPolarHBondContact O-CG1 3.41Å; D120-I124 PolarHBondContact O-N 2.98Å; G121-I124 PolarHBondContact O-N 2.76Å; I124-A126 VanDerWaalsContact C-N 3.35Å; I124-A126 PolarHBondContact O-N 3.16Å; I124-W127 PolarHBondContact O-N 3.29Å; I124-V128 HydrophobicContact CG2-CG2 4.3Å; I124-V128 WeakPolarHBondContact O-CB 3.38Å; I124-V128 VanDerWaalsContact O-CG2 3.28Å; I124-V128 WeakPolarHBondContact O-CG2 3.13Å; I124-V128 PolarHBondContact O-N 2.94Å
125	V	97.5	Very high	93.5	Very high	17 Å²	17	62.4 Å²	62.4	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-59.8	-46.4	179.2	171.6	0	0	0	0	111.1	A74 I76 G121 D122 R129	A74-V125 HydrophobicContact CB-CG2 3.99Å; I76-V125 HydrophobicContact CG1-CB 4.22Å; I76-V125 HydrophobicContact CG1-CG1 4.31Å; I76-V125 HydrophobicContact CG1-CG2 3.79Å; G121-V125 VanDerWaalsContact O-CG2 3.24Å; G121-V125 WeakPolarHBondContact O-CG2 3.32Å; G121-V125 PolarHBondContact O-N 3.35Å; D122-V125 PolarHBondContact O-N 3.24Å; V125-R129 HydrophobicContact CG1-CG 4.49Å; V125-R129 VanDerWaalsContact CG1-CZ 3.42Å; V125-R129 WeakPolarHBondContact O-CB 3.38Å; V125-R129 VanDerWaalsContact O-CG 3.26Å; V125-R129 WeakPolarHBondContact O-CG 3.47Å; V125-R129 PolarHBondContact O-N 3.08Å
126	A	96.4	Very high	93.1	Very high	62 Å²	62	63.7 Å²	63.7	51%	0.512	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-48.3	-179.6	0	0	0	0	0	111.6	D122 G123 I124 R129 E130	D122-A126 WeakPolarHBondContact O-CB 3.4Å; D122-A126 PolarHBondContact O-N 3.31Å; G123-A126 PolarHBondContact O-N 3.38Å; I124-A126 VanDerWaalsContact C-N 3.35Å; I124-A126 PolarHBondContact O-N 3.16Å; A126-R129 PolarHBondContact O-N 2.97Å; A126-E130 WeakPolarHBondContact O-CB 3.2Å; A126-E130 PolarHBondContact O-N 3.1Å
127	W	96.2	Very high	92.7	Very high	21 Å²	21	67.9 Å²	67.9	8%	0.08	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-47	-179.4	-170.8	104	0	0	0	111.4	F106 L113 Y115 D116 G123 I124 R129 E130 K131	F106-W127 HydrophobicContact CB-CH2 3.97Å; F106-W127 HydrophobicContact CB-CZ3 3.58Å; F106-W127 HydrophobicContact CD1-CZ3 4.17Å; F106-W127 AromaticContact CG-CZ3 3.88Å; F106-W127 HydrophobicContact CG-CZ3 3.88Å; L113-W127 HydrophobicContact CB-CH2 4.01Å; Y115-W127 AromaticContact CD2-CD2 3.67Å; Y115-W127 HydrophobicContact CD2-CD2 3.67Å; Y115-W127 AromaticContact CD2-CE3 3.46Å; Y115-W127 HydrophobicContact CD2-CE3 3.46Å; Y115-W127 VanDerWaalsContact CD2-CE3 3.46Å; Y115-W127 HydrophobicContact CD2-CG 4.24Å; Y115-W127 HydrophobicContact CD2-CH2 4.26Å; Y115-W127 HydrophobicContact CD2-CZ2 4.42Å; Y115-W127 AromaticContact CD2-CZ3 3.8Å; Y115-W127 HydrophobicContact CD2-CZ3 3.8Å; Y115-W127 HydrophobicContact CE2-CB 3.83Å; Y115-W127 AromaticContact CE2-CD2 3.65Å; Y115-W127 HydrophobicContact CE2-CD2 3.65Å; Y115-W127 AromaticContact CE2-CE3 3.68Å; Y115-W127 HydrophobicContact CE2-CE3 3.68Å; Y115-W127 AromaticContact CE2-CG 3.74Å; Y115-W127 HydrophobicContact CE2-CG 3.74Å; Y115-W127 HydrophobicContact CE2-CZ3 4.47Å; D116-W127 PolarHBondContact OD1-NE1 3.19Å; G123-W127 VanDerWaalsContact O-CB 3.31Å; G123-W127 WeakPolarHBondContact O-CB 3.43Å; G123-W127 PolarHBondContact O-N 2.88Å; I124-W127 PolarHBondContact O-N 3.29Å; W127-R129 PolarHBondContact O-N 3.09Å; W127-E130 WeakPolarHBondContact O-CB 3.21Å; W127-E130 PolarHBondContact O-N 3.24Å; W127-K131 HydrophobicContact CD2-CG 3.93Å; W127-K131 HydrophobicContact CE3-CB 4.47Å; W127-K131 HydrophobicContact CE3-CG 3.74Å; W127-K131 HydrophobicContact CH2-CB 4.5Å; W127-K131 HydrophobicContact CH2-CG 3.69Å; W127-K131 HydrophobicContact CZ2-CG 3.88Å; W127-K131 HydrophobicContact CZ3-CB 4.16Å; W127-K131 HydrophobicContact CZ3-CG 3.6Å; W127-K131 WeakPolarHBondContact O-CG 3.39Å; W127-K131 PolarHBondContact O-N 2.85Å
128	V	96.8	Very high	91.8	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.5	-43.5	-179.7	175.1	0	0	0	0	111.2	L53 I76 I79 F106 I124 E130 K131 A132	L53-V128 HydrophobicContact CB-CG2 4.29Å; L53-V128 HydrophobicContact CD2-CG2 3.62Å; L53-V128 HydrophobicContact CG-CG2 4.41Å; I76-V128 HydrophobicContact CD1-CB 3.65Å; I76-V128 HydrophobicContact CD1-CG1 3.8Å; I76-V128 HydrophobicContact CD1-CG2 3.82Å; I76-V128 HydrophobicContact CG2-CG1 4.25Å; I79-V128 HydrophobicContact CD1-CG1 3.85Å; I79-V128 HydrophobicContact CG2-CG1 3.94Å; F106-V128 HydrophobicContact CD2-CG1 4.06Å; F106-V128 HydrophobicContact CE2-CG1 3.68Å; F106-V128 HydrophobicContact CZ-CG1 4.46Å; I124-V128 HydrophobicContact CG2-CG2 4.3Å; I124-V128 WeakPolarHBondContact O-CB 3.38Å; I124-V128 VanDerWaalsContact O-CG2 3.28Å; I124-V128 WeakPolarHBondContact O-CG2 3.13Å; I124-V128 PolarHBondContact O-N 2.94Å; V128-E130 VanDerWaalsContact C-N 3.3Å; V128-E130 PolarHBondContact O-N 2.85Å; V128-K131 PolarHBondContact O-N 2.79Å; V128-A132 WeakPolarHBondContact O-CB 3.44Å; V128-A132 PolarHBondContact O-N 2.99Å
129	R	95.1	Very high	90.9	Very high	145 Å²	145	69.6 Å²	69.6	55%	0.547	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-41.4	176.8	-76.3	177.8	178.9	165.7	6.3	111.9	I76 V125 A126 W127 D133	I76-R129 HydrophobicContact CG2-CG 4.27Å; V125-R129 HydrophobicContact CG1-CG 4.49Å; V125-R129 VanDerWaalsContact CG1-CZ 3.42Å; V125-R129 WeakPolarHBondContact O-CB 3.38Å; V125-R129 VanDerWaalsContact O-CG 3.26Å; V125-R129 WeakPolarHBondContact O-CG 3.47Å; V125-R129 PolarHBondContact O-N 3.08Å; A126-R129 PolarHBondContact O-N 2.97Å; W127-R129 PolarHBondContact O-N 3.09Å; R129-D133 PolarHBondContact O-N 3.5Å; R129-D133 VanDerWaalsContact O-N 3.12Å
130	E	93.8	Very high	90.2	Very high	98 Å²	98	69.1 Å²	69.1	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-49.2	176	-168.4	-157.4	142.2	0	0	111.2	A126 W127 V128 Y136	A126-E130 WeakPolarHBondContact O-CB 3.2Å; A126-E130 PolarHBondContact O-N 3.1Å; W127-E130 WeakPolarHBondContact O-CB 3.21Å; W127-E130 PolarHBondContact O-N 3.24Å; V128-E130 VanDerWaalsContact C-N 3.3Å; V128-E130 PolarHBondContact O-N 2.85Å; E130-Y136 HydrophobicContact CG-CD2 4.17Å; E130-Y136 HydrophobicContact CG-CE2 4.35Å; E130-Y136 VanDerWaalsContact O-CB 3.28Å; E130-Y136 WeakPolarHBondContact O-CB 3.34Å; E130-Y136 VanDerWaalsContact OE1-CE2 3.29Å; E130-Y136 WeakPolarHBondContact OE1-CE2 3.49Å
131	K	93.1	Very high	89.7	Confident	23 Å²	23	70.4 Å²	70.4	10%	0.1	39%	0.388	C	S	.	.	H	α-helix	trans	-76.1	-26.5	-177.5	-53.3	-44.9	171.7	-167.3	0	113.4	F106 K108 L113 W127 V128 Y136	F106-K131 HydrophobicContact CD1-CB 3.87Å; F106-K131 HydrophobicContact CE1-CB 3.66Å; F106-K131 HydrophobicContact CZ-CB 4.45Å; K108-K131 PolarHBondContact NZ-O 3.1Å; L113-K131 HydrophobicContact CD1-CB 4.11Å; L113-K131 HydrophobicContact CD1-CD 4.35Å; L113-K131 HydrophobicContact CD1-CG 4.11Å; W127-K131 HydrophobicContact CD2-CG 3.93Å; W127-K131 HydrophobicContact CE3-CB 4.47Å; W127-K131 HydrophobicContact CE3-CG 3.74Å; W127-K131 HydrophobicContact CH2-CB 4.5Å; W127-K131 HydrophobicContact CH2-CG 3.69Å; W127-K131 HydrophobicContact CZ2-CG 3.88Å; W127-K131 HydrophobicContact CZ3-CB 4.16Å; W127-K131 HydrophobicContact CZ3-CG 3.6Å; W127-K131 WeakPolarHBondContact O-CG 3.39Å; W127-K131 PolarHBondContact O-N 2.85Å; V128-K131 PolarHBondContact O-N 2.79Å; K131-Y136 HydrophobicContact CD-CD1 4.15Å; K131-Y136 HydrophobicContact CD-CD2 4.23Å; K131-Y136 HydrophobicContact CD-CE1 3.59Å; K131-Y136 HydrophobicContact CD-CE2 3.72Å; K131-Y136 HydrophobicContact CD-CG 4.45Å; K131-Y136 PolarHBondContact NZ-OH 2.82Å
132	A	92.5	Very high	89.7	Confident	19 Å²	19	71.6 Å²	71.6	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-73.3	-29.2	176.5	0	0	0	0	0	112.6	V51 I79 F106 K108 V128 P134	V51-A132 HydrophobicContact CG1-CB 4.47Å; I79-A132 HydrophobicContact CD1-CB 3.32Å; F106-A132 HydrophobicContact CZ-CB 3.85Å; K108-A132 PolarHBondContact NZ-O 2.84Å; V128-A132 WeakPolarHBondContact O-CB 3.44Å; V128-A132 PolarHBondContact O-N 2.99Å; A132-P134 WeakPolarHBondContact O-CD 3.46Å
133	D	90.6	Very high	89.7	Confident	80 Å²	80	65.2 Å²	65.2	43%	0.428	36%	0.363	S	S	.	.			trans	-49.6	123.7	179.3	-169.9	-18.2	0	0	0	110.9	K108 R129 A135 Y136	K108-D133 PolarHBondContact NZ-O 3.3Å; R129-D133 PolarHBondContact O-N 3.5Å; R129-D133 VanDerWaalsContact O-N 3.12Å; D133-A135 PolarHBondContact O-N 2.86Å; D133-A135 VanDerWaalsContact OD1-CB 3.31Å; D133-A135 WeakPolarHBondContact OD1-CB 3.39Å; D133-A135 PolarHBondContact OD1-N 2.75Å; D133-Y136 WeakPolarHBondContact O-CB 3.47Å; D133-Y136 PolarHBondContact O-N 2.78Å
134	P	86.4	Confident	89.8	Confident	128 Å²	128	67.8 Å²	67.8	83%	0.831	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.2	172.3	-25.8	35.3	0	0	0	113.9	A132	A132-P134 WeakPolarHBondContact O-CD 3.46Å
135	A	88.2	Confident	89.7	Confident	71 Å²	71	71.3 Å²	71.3	59%	0.587	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-10.1	174.6	0	0	0	0	0	113.5	D133 R137	D133-A135 PolarHBondContact O-N 2.86Å; D133-A135 VanDerWaalsContact OD1-CB 3.31Å; D133-A135 WeakPolarHBondContact OD1-CB 3.39Å; D133-A135 PolarHBondContact OD1-N 2.75Å; A135-R137 PolarHBondContact O-N 3.44Å
136	Y	84.9	Confident	89.8	Confident	56 Å²	56	70.5 Å²	70.5	22%	0.22	39%	0.39	C	S	.	.			trans	-59.8	121.2	177.1	-179	-108.7	0	0	0	110.7	E130 K131 D133 P138	E130-Y136 HydrophobicContact CG-CD2 4.17Å; E130-Y136 HydrophobicContact CG-CE2 4.35Å; E130-Y136 VanDerWaalsContact O-CB 3.28Å; E130-Y136 WeakPolarHBondContact O-CB 3.34Å; E130-Y136 VanDerWaalsContact OE1-CE2 3.29Å; E130-Y136 WeakPolarHBondContact OE1-CE2 3.49Å; K131-Y136 HydrophobicContact CD-CD1 4.15Å; K131-Y136 HydrophobicContact CD-CD2 4.23Å; K131-Y136 HydrophobicContact CD-CE1 3.59Å; K131-Y136 HydrophobicContact CD-CE2 3.72Å; K131-Y136 HydrophobicContact CD-CG 4.45Å; K131-Y136 PolarHBondContact NZ-OH 2.82Å; D133-Y136 WeakPolarHBondContact O-CB 3.47Å; D133-Y136 PolarHBondContact O-N 2.78Å; Y136-P138 HydrophobicContact CE1-CB 4.08Å
137	R	77.6	Confident	89.8	Confident	221 Å²	221	69.5 Å²	69.5	83%	0.834	38%	0.378	S	S	*	.			trans	-114.7	113.8	172.3	-64.5	-93.6	-175.4	-156.1	-3.3	106	A135	A135-R137 PolarHBondContact O-N 3.44Å
138	P	73.5	Confident	89.8	Confident	88 Å²	88	71.7 Å²	71.7	57%	0.571	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-57.7	144.1	172	23.7	-30.9	0	0	0	109	Y136	Y136-P138 HydrophobicContact CE1-CB 4.08Å
139	P	72.8	Confident	89.7	Confident	82 Å²	82	80.4 Å²	80.4	53%	0.532	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-56.4	147	173.7	24.8	-32.4	0	0	0	109.3	D141	P139-D141 PolarHBondContact O-N 3.16Å
140	P	78.6	Confident	89.8	Confident	119 Å²	119	75.9 Å²	75.9	77%	0.773	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-59	138.7	176.1	25.3	-32.9	0	0	0	109.9	A142	P140-A142 PolarHBondContact O-N 3.34Å
141	D	86	Confident	90	Very high	93 Å²	93	71.6 Å²	71.6	50%	0.497	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-57.1	130	174	-69.7	-14.4	0	0	0	109.6	P139 K198	P139-D141 PolarHBondContact O-N 3.16Å; D141-K198 IonicContact OD2-NZ 3.76Å; D141-K198 PolarHBondContact OD2-NZ 2.9Å
142	A	93.6	Very high	90	Very high	30 Å²	30	74.9 Å²	74.9	25%	0.248	43%	0.426	C	S	.	.	S	Bend	trans	-71.7	-21.5	168.3	0	0	0	0	0	111.3	P140 E181 A184 K185	P140-A142 PolarHBondContact O-N 3.34Å; A142-E181 VanDerWaalsContact CB-OE1 3.29Å; A142-E181 WeakPolarHBondContact CB-OE1 3.36Å; A142-E181 PolarHBondContact N-OE1 3.06Å; A142-E181 PolarHBondContact N-OE2 3.42Å; A142-A184 HydrophobicContact CB-CB 3.73Å; A142-K185 HydrophobicContact CB-CB 4.43Å; A142-K185 HydrophobicContact CB-CG 3.48Å; A142-K185 VanDerWaalsContact CB-CG 3.48Å
143	V	97.4	Very high	90	Very high	6 Å²	6	79.2 Å²	79.2	4%	0.036	45%	0.446	C	S	.	.	S	Bend	trans	-84.1	119.2	174.5	-178.7	0	0	0	0	110.3	T145 Y180 E181 A184 L196 K198	V143-T145 PolarHBondContact O-N 2.87Å; V143-Y180 HydrophobicContact CB-CD1 4.37Å; V143-Y180 HydrophobicContact CB-CE1 4.47Å; V143-Y180 HydrophobicContact CG1-CD1 3.85Å; V143-Y180 HydrophobicContact CG1-CE1 3.58Å; V143-Y180 HydrophobicContact CG2-CD1 3.52Å; V143-Y180 HydrophobicContact CG2-CE1 3.96Å; V143-Y180 HydrophobicContact CG2-CG 4.49Å; V143-E181 VanDerWaalsContact CG2-OE2 3.27Å; V143-E181 WeakPolarHBondContact CG2-OE2 3.48Å; V143-E181 PolarHBondContact N-OE2 3.12Å; V143-A184 HydrophobicContact CG2-CB 3.65Å; V143-L196 WeakPolarHBondContact CA-O 3.42Å; V143-K198 HydrophobicContact CB-CD 4.45Å; V143-K198 HydrophobicContact CG1-CB 3.75Å; V143-K198 HydrophobicContact CG1-CD 3.83Å; V143-K198 HydrophobicContact CG1-CG 3.72Å
144	I	97.1	Very high	90.2	Very high	65 Å²	65	77.4 Å²	77.4	33%	0.333	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.8	179.3	-56.9	171.8	0	0	0	109.8	L146 V154 P195 L196 A197 K198	I144-L146 HydrophobicContact CG2-CD2 3.98Å; I144-V154 HydrophobicContact CD1-CG1 4.44Å; I144-P195 HydrophobicContact CD1-CB 3.76Å; I144-L196 PolarHBondContact N-O 3.18Å; I144-A197 HydrophobicContact CB-CB 4.11Å; I144-A197 CarbonylContact O-C 3.46Å; I144-A197 WeakPolarHBondContact O-CA 3.49Å; I144-A197 WeakPolarHBondContact O-CB 3.33Å; I144-K198 PolarHBondContact O-N 3.08Å
145	T	96.7	Very high	90.6	Very high	73 Å²	73	71.5 Å²	71.5	45%	0.448	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.2	172.7	-60.6	0	0	0	0	110	V143 N150 K198	V143-T145 PolarHBondContact O-N 2.87Å; T145-N150 PolarHBondContact O-ND2 2.82Å; T145-N150 VanDerWaalsContact O-ND2 3.14Å; T145-K198 WeakPolarHBondContact OG1-CE 3.37Å
146	L	97.8	Very high	90.5	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.005	40%	0.395	C	S	.	.			trans	-106	141	177.6	-62.6	179.7	0	0	0	111.3	I144 N150 F151 V154 V155 V163 A197 K198 V199	I144-L146 HydrophobicContact CG2-CD2 3.98Å; L146-N150 VanDerWaalsContact CA-OD1 3.25Å; L146-N150 WeakPolarHBondContact CA-OD1 3.11Å; L146-N150 WeakPolarHBondContact CD2-OD1 3.34Å; L146-F151 HydrophobicContact CB-CD2 4.05Å; L146-F151 HydrophobicContact CD1-CD2 3.68Å; L146-F151 HydrophobicContact CD1-CE2 4.01Å; L146-F151 HydrophobicContact CG-CD2 4.45Å; L146-V154 HydrophobicContact CD2-CB 3.66Å; L146-V154 HydrophobicContact CD2-CG1 3.79Å; L146-V154 HydrophobicContact CD2-CG2 3.8Å; L146-V155 HydrophobicContact CD1-CG2 4.06Å; L146-V163 HydrophobicContact CD1-CG1 4.17Å; L146-V163 HydrophobicContact CD1-CG2 4.02Å; L146-A197 HydrophobicContact CD1-CB 3.49Å; L146-A197 VanDerWaalsContact CD1-CB 3.49Å; L146-A197 HydrophobicContact CG-CB 3.75Å; L146-K198 PolarHBondContact N-O 3.4Å; L146-V199 HydrophobicContact CB-CG2 3.68Å; L146-V199 HydrophobicContact CD1-CG2 4.48Å
147	T	97.4	Very high	90.7	Very high	41 Å²	41	75.1 Å²	75.1	25%	0.252	42%	0.418	S	S	.	.			trans	-130.8	169	173.6	65.4	0	0	0	0	108.5	E149 N150 F151 E204	T147-E149 PolarHBondContact O-N 3.36Å; T147-E149 PolarHBondContact OG1-N 3.05Å; T147-N150 PolarHBondContact N-OD1 3.01Å; T147-N150 PolarHBondContact O-N 3.35Å; T147-N150 VanDerWaalsContact O-N 3.15Å; T147-N150 PolarHBondContact O-OD1 3.23Å; T147-N150 VanDerWaalsContact O-OD1 3.1Å; T147-F151 VanDerWaalsContact O-CB 3.27Å; T147-F151 WeakPolarHBondContact O-CB 3.41Å; T147-F151 PolarHBondContact O-N 2.77Å; T147-E204 VanDerWaalsContact CB-OE1 3.29Å; T147-E204 WeakPolarHBondContact CB-OE1 3.35Å
148	S	95.6	Very high	91.2	Very high	67 Å²	67	65 Å²	65	47%	0.469	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.5	174.3	-60.9	0	0	0	0	113.5	E204	S148-E204 WeakPolarHBondContact CB-OE2 3.36Å; S148-E204 PolarHBondContact N-OE2 2.88Å; S148-E204 PolarHBondContact OG-OE2 2.79Å
149	E	95.4	Very high	91.8	Very high	182 Å²	182	64.4 Å²	64.4	85%	0.85	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-33.9	179.8	-61.9	-178.2	170.4	0	0	113.7	T147	T147-E149 PolarHBondContact O-N 3.36Å; T147-E149 PolarHBondContact OG1-N 3.05Å
150	N	97.2	Very high	92.7	Very high	51 Å²	51	61 Å²	61	27%	0.273	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-10.6	-173.2	72.2	2.2	0	0	0	114.1	T145 L146 T147 T152 D153 V154	T145-N150 PolarHBondContact O-ND2 2.82Å; T145-N150 VanDerWaalsContact O-ND2 3.14Å; L146-N150 VanDerWaalsContact CA-OD1 3.25Å; L146-N150 WeakPolarHBondContact CA-OD1 3.11Å; L146-N150 WeakPolarHBondContact CD2-OD1 3.34Å; T147-N150 PolarHBondContact N-OD1 3.01Å; T147-N150 PolarHBondContact O-N 3.35Å; T147-N150 VanDerWaalsContact O-N 3.15Å; T147-N150 PolarHBondContact O-OD1 3.23Å; T147-N150 VanDerWaalsContact O-OD1 3.1Å; N150-T152 PolarHBondContact O-N 2.87Å; N150-D153 PolarHBondContact O-N 2.98Å; N150-V154 HydrophobicContact CB-CG2 4.43Å; N150-V154 WeakPolarHBondContact O-CG2 3.46Å; N150-V154 PolarHBondContact O-N 3.39Å
151	F	97.3	Very high	93.6	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-54.7	-171.3	-176	-84.9	0	0	0	112.5	L146 T147 D153 V154 V155 V163 F165 V199 L207 H211 F222	L146-F151 HydrophobicContact CB-CD2 4.05Å; L146-F151 HydrophobicContact CD1-CD2 3.68Å; L146-F151 HydrophobicContact CD1-CE2 4.01Å; L146-F151 HydrophobicContact CG-CD2 4.45Å; T147-F151 VanDerWaalsContact O-CB 3.27Å; T147-F151 WeakPolarHBondContact O-CB 3.41Å; T147-F151 PolarHBondContact O-N 2.77Å; F151-D153 VanDerWaalsContact C-N 3.32Å; F151-D153 PolarHBondContact O-N 3.21Å; F151-V154 PolarHBondContact O-N 3.36Å; F151-V155 HydrophobicContact CD1-CB 4.44Å; F151-V155 HydrophobicContact CD1-CG2 4.07Å; F151-V155 HydrophobicContact CD2-CG2 4.24Å; F151-V155 HydrophobicContact CE1-CB 4.21Å; F151-V155 HydrophobicContact CE1-CG1 4.37Å; F151-V155 HydrophobicContact CE1-CG2 3.82Å; F151-V155 HydrophobicContact CE2-CG2 4.05Å; F151-V155 HydrophobicContact CG-CG2 4.27Å; F151-V155 HydrophobicContact CZ-CG2 3.82Å; F151-V155 VanDerWaalsContact O-CB 3.26Å; F151-V155 WeakPolarHBondContact O-CB 3.47Å; F151-V155 VanDerWaalsContact O-CG2 3.31Å; F151-V155 WeakPolarHBondContact O-CG2 3.32Å; F151-V155 PolarHBondContact O-N 2.69Å; F151-V163 HydrophobicContact CE2-CG1 4.16Å; F151-F165 AromaticContact CE2-CZ 3.98Å; F151-F165 HydrophobicContact CE2-CZ 3.98Å; F151-F165 HydrophobicContact CZ-CZ 4.25Å; F151-V199 HydrophobicContact CD2-CG2 4.16Å; F151-V199 HydrophobicContact CE2-CG2 4.19Å; F151-L207 HydrophobicContact CB-CD1 4.15Å; F151-L207 HydrophobicContact CB-CD2 4.06Å; F151-L207 HydrophobicContact CD1-CD1 3.76Å; F151-L207 HydrophobicContact CD2-CD1 3.86Å; F151-L207 HydrophobicContact CD2-CD2 3.52Å; F151-L207 HydrophobicContact CD2-CG 4.14Å; F151-L207 HydrophobicContact CE1-CD1 4.06Å; F151-L207 HydrophobicContact CE2-CD1 4.11Å; F151-L207 HydrophobicContact CE2-CD2 4.09Å; F151-L207 HydrophobicContact CE2-CG 4.36Å; F151-L207 HydrophobicContact CG-CD1 3.65Å; F151-L207 HydrophobicContact CG-CD2 3.91Å; F151-L207 HydrophobicContact CG-CG 4.36Å; F151-L207 HydrophobicContact CZ-CD1 4.21Å; F151-H211 AromaticContact CE1-CE1 3.77Å; F151-H211 AromaticContact CE1-NE2 3.1Å; F151-H211 WeakPolarHBondContact CE1-NE2 3.44Å; F151-H211 AromaticContact CZ-CD2 3.72Å; F151-H211 AromaticContact CZ-CE1 3.88Å; F151-H211 AromaticContact CZ-NE2 3.2Å; F151-H211 WeakPolarHBondContact CZ-NE2 3.31Å; F151-F222 HydrophobicContact CE1-CE1 4.27Å; F151-F222 HydrophobicContact CE1-CZ 4.27Å; F151-F222 HydrophobicContact CZ-CE1 4.02Å; F151-F222 HydrophobicContact CZ-CE2 4.05Å; F151-F222 AromaticContact CZ-CZ 3.58Å; F151-F222 HydrophobicContact CZ-CZ 3.58Å
152	T	92.6	Very high	94.2	Very high	92 Å²	92	51 Å²	51	56%	0.564	30%	0.295	S	S	*	.	H	α-helix	trans	-58.7	-44.6	-176.1	-57.7	0	0	0	0	111.5	N150 S156	N150-T152 PolarHBondContact O-N 2.87Å; T152-S156 WeakPolarHBondContact O-CB 3.46Å; T152-S156 PolarHBondContact O-N 3.16Å; T152-S156 PolarHBondContact O-OG 3.31Å
153	D	93.3	Very high	94.4	Very high	110 Å²	110	49.5 Å²	49.5	59%	0.588	28%	0.283	S	S	*	.	H	α-helix	trans	-67.9	-45.1	-178.4	-72.3	-15.4	0	0	0	111.5	N150 F151 N157	N150-D153 PolarHBondContact O-N 2.98Å; F151-D153 VanDerWaalsContact C-N 3.32Å; F151-D153 PolarHBondContact O-N 3.21Å; D153-N157 VanDerWaalsContact O-CB 3.29Å; D153-N157 WeakPolarHBondContact O-CB 3.09Å; D153-N157 PolarHBondContact O-N 3.38Å; D153-N157 PolarHBondContact O-ND2 3.21Å
154	V	95.3	Very high	94.4	Very high	42 Å²	42	49.5 Å²	49.5	26%	0.255	28%	0.283	S	S	.	.	H	α-helix	trans	-67.1	-46.5	179.9	176.7	0	0	0	0	110.8	I144 L146 N150 F151 A158 I161	I144-V154 HydrophobicContact CD1-CG1 4.44Å; L146-V154 HydrophobicContact CD2-CB 3.66Å; L146-V154 HydrophobicContact CD2-CG1 3.79Å; L146-V154 HydrophobicContact CD2-CG2 3.8Å; N150-V154 HydrophobicContact CB-CG2 4.43Å; N150-V154 WeakPolarHBondContact O-CG2 3.46Å; N150-V154 PolarHBondContact O-N 3.39Å; F151-V154 PolarHBondContact O-N 3.36Å; V154-A158 PolarHBondContact O-N 2.67Å; V154-I161 HydrophobicContact CG1-CD1 3.83Å
155	V	94.3	Very high	94.5	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-70.7	-37.8	-175.7	170.9	0	0	0	0	112.2	L146 F151 I161 V163 F222	L146-V155 HydrophobicContact CD1-CG2 4.06Å; F151-V155 HydrophobicContact CD1-CB 4.44Å; F151-V155 HydrophobicContact CD1-CG2 4.07Å; F151-V155 HydrophobicContact CD2-CG2 4.24Å; F151-V155 HydrophobicContact CE1-CB 4.21Å; F151-V155 HydrophobicContact CE1-CG1 4.37Å; F151-V155 HydrophobicContact CE1-CG2 3.82Å; F151-V155 HydrophobicContact CE2-CG2 4.05Å; F151-V155 HydrophobicContact CG-CG2 4.27Å; F151-V155 HydrophobicContact CZ-CG2 3.82Å; F151-V155 VanDerWaalsContact O-CB 3.26Å; F151-V155 WeakPolarHBondContact O-CB 3.47Å; F151-V155 VanDerWaalsContact O-CG2 3.31Å; F151-V155 WeakPolarHBondContact O-CG2 3.32Å; F151-V155 PolarHBondContact O-N 2.69Å; V155-I161 HydrophobicContact CB-CG2 4.5Å; V155-I161 HydrophobicContact CG1-CG2 4.32Å; V155-I161 HydrophobicContact CG2-CG2 4.25Å; V155-V163 HydrophobicContact CG2-CG2 4.24Å; V155-F222 HydrophobicContact CG1-CB 3.49Å; V155-F222 VanDerWaalsContact CG1-CB 3.49Å; V155-F222 HydrophobicContact CG1-CD1 3.34Å; V155-F222 HydrophobicContact CG1-CD2 4.2Å; V155-F222 HydrophobicContact CG1-CE1 4.06Å; V155-F222 HydrophobicContact CG1-CG 3.41Å; V155-F222 VanDerWaalsContact CG1-CG 3.41Å
156	S	86.6	Confident	94.5	Very high	70 Å²	70	45.2 Å²	45.2	49%	0.49	26%	0.255	S	S	.	.	H	α-helix	trans	-75.1	-29	-179.4	-55.9	0	0	0	0	112.9	T152	T152-S156 WeakPolarHBondContact O-CB 3.46Å; T152-S156 PolarHBondContact O-N 3.16Å; T152-S156 PolarHBondContact O-OG 3.31Å
157	N	87.7	Confident	94.2	Very high	132 Å²	132	45.6 Å²	45.6	71%	0.706	26%	0.257	S	S	*	.	H	α-helix	trans	-87.5	-10.7	179.6	-71.1	-52.1	0	0	0	113.6	D153	D153-N157 VanDerWaalsContact O-CB 3.29Å; D153-N157 WeakPolarHBondContact O-CB 3.09Å; D153-N157 PolarHBondContact O-N 3.38Å; D153-N157 PolarHBondContact O-ND2 3.21Å
158	A	88.8	Confident	93.5	Very high	9 Å²	9	46.5 Å²	46.5	7%	0.074	26%	0.264	C	S	.	.			trans	-86.9	124.8	172.7	0	0	0	0	0	110.6	V154 I160 I161 P195	V154-A158 PolarHBondContact O-N 2.67Å; A158-I160 PolarHBondContact O-N 2.76Å; A158-I161 HydrophobicContact CB-CB 3.85Å; A158-I161 HydrophobicContact CB-CG2 4.04Å; A158-P195 HydrophobicContact CB-CG 4.05Å
159	P	86.3	Confident	92.8	Very high	76 Å²	76	47.7 Å²	47.7	49%	0.494	27%	0.269	S	S	.	.	S	Bend	trans	-55.7	-37.7	171.8	-25.3	34.3	0	0	0	111.9	R223 F224	P159-R223 WeakPolarHBondContact O-CA 3.28Å; P159-F224 HydrophobicContact CB-CE1 4.1Å; P159-F224 PolarHBondContact O-N 2.69Å
160	I	92.4	Very high	92.3	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.9	170.8	-172.9	168.9	0	0	0	109.9	A158 I194 P195 V221 F222 R223 M243 M246	A158-I160 PolarHBondContact O-N 2.76Å; I160-I194 HydrophobicContact CG2-CG1 4.03Å; I160-I194 HydrophobicContact CG2-CG2 4.13Å; I160-P195 WeakPolarHBondContact O-CD 3.27Å; I160-V221 HydrophobicContact CD1-CG1 3.84Å; I160-V221 HydrophobicContact CG1-CG1 3.84Å; I160-F222 CarbonylContact C-O 3.58Å; I160-F222 VanDerWaalsContact CA-O 3.23Å; I160-F222 WeakPolarHBondContact CA-O 3.26Å; I160-R223 HydrophobicContact CB-CG 4.49Å; I160-M243 HydrophobicContact CD1-CE 3.76Å; I160-M243 HydrophobicContact CG1-CE 3.69Å; I160-M246 VanDerWaalsContact CD1-C 3.45Å; I160-M246 HydrophobicContact CD1-CB 3.43Å; I160-M246 VanDerWaalsContact CD1-CB 3.43Å; I160-M246 WeakPolarHBondContact CD1-O 3.47Å
161	I	96.6	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.5	175.2	-176.7	166.6	0	0	0	109.7	V154 V155 A158 V163 P195 A197 V221 F222	V154-I161 HydrophobicContact CG1-CD1 3.83Å; V155-I161 HydrophobicContact CB-CG2 4.5Å; V155-I161 HydrophobicContact CG1-CG2 4.32Å; V155-I161 HydrophobicContact CG2-CG2 4.25Å; A158-I161 HydrophobicContact CB-CB 3.85Å; A158-I161 HydrophobicContact CB-CG2 4.04Å; I161-V163 HydrophobicContact CG1-CG2 4.32Å; I161-V163 HydrophobicContact CG2-CG2 4.44Å; I161-P195 WeakPolarHBondContact CA-O 3.45Å; I161-P195 HydrophobicContact CB-CG 3.89Å; I161-P195 HydrophobicContact CD1-CB 4.05Å; I161-P195 HydrophobicContact CD1-CG 3.96Å; I161-P195 HydrophobicContact CG1-CB 4.08Å; I161-P195 HydrophobicContact CG1-CG 3.84Å; I161-P195 WeakPolarHBondContact CG1-O 3.49Å; I161-A197 HydrophobicContact CD1-CB 3.89Å; I161-A197 HydrophobicContact CG1-CB 4.32Å; I161-V221 WeakPolarHBondContact O-CA 3.21Å; I161-F222 HydrophobicContact CG2-CB 3.66Å; I161-F222 HydrophobicContact CG2-CG 4.45Å; I161-F222 PolarHBondContact N-O 2.79Å; I161-F222 PolarHBondContact O-N 3.43Å
162	L	97.9	Very high	90.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.1	169	-177.1	58.5	0	0	0	109.2	Y180 P195 L196 A197 L219 V221 Y230 I239 M243	L162-Y180 HydrophobicContact CD2-CE2 3.64Å; L162-Y180 HydrophobicContact CG-CE2 3.97Å; L162-Y180 WeakPolarHBondContact CG-OH 3.04Å; L162-Y180 PolarHBondContact O-OH 2.81Å; L162-P195 PolarHBondContact N-O 3.48Å; L162-L196 HydrophobicContact CB-CD1 3.91Å; L162-L196 HydrophobicContact CB-CG 3.98Å; L162-L196 HydrophobicContact CD2-CD1 4.42Å; L162-L196 HydrophobicContact CD2-CD2 4.46Å; L162-L196 HydrophobicContact CD2-CG 4.23Å; L162-L196 HydrophobicContact CG-CG 4.47Å; L162-L196 CarbonylContact O-C 3.54Å; L162-L196 WeakPolarHBondContact O-CA 3.12Å; L162-A197 PolarHBondContact O-N 2.96Å; L162-L219 HydrophobicContact CD1-CB 4.23Å; L162-L219 HydrophobicContact CD1-CD2 4.26Å; L162-L219 HydrophobicContact CD2-CD2 4.41Å; L162-L219 HydrophobicContact CG-CD2 4.23Å; L162-V221 HydrophobicContact CD1-CG2 3.95Å; L162-Y230 HydrophobicContact CD1-CD2 3.52Å; L162-Y230 HydrophobicContact CD1-CE2 4.3Å; L162-Y230 HydrophobicContact CD1-CG 3.88Å; L162-Y230 HydrophobicContact CD2-CD2 4Å; L162-Y230 HydrophobicContact CD2-CE2 3.93Å; L162-Y230 HydrophobicContact CG-CD2 4.44Å; L162-I239 HydrophobicContact CD2-CG2 3.72Å; L162-M243 HydrophobicContact CB-CE 3.73Å; L162-M243 HydrophobicContact CB-CG 4.26Å; L162-M243 HydrophobicContact CB-SD 3.73Å; L162-M243 HydrophobicContact CD1-SD 4.17Å; L162-M243 HydrophobicContact CD2-CG 3.94Å; L162-M243 HydrophobicContact CD2-SD 3.98Å; L162-M243 HydrophobicContact CG-SD 4.18Å
163	V	98.4	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.9	178.8	-175.6	0	0	0	0	109.9	L146 F151 V155 I161 F165 A197 V199 L219 K220 F222	L146-V163 HydrophobicContact CD1-CG1 4.17Å; L146-V163 HydrophobicContact CD1-CG2 4.02Å; F151-V163 HydrophobicContact CE2-CG1 4.16Å; V155-V163 HydrophobicContact CG2-CG2 4.24Å; I161-V163 HydrophobicContact CG1-CG2 4.32Å; I161-V163 HydrophobicContact CG2-CG2 4.44Å; V163-F165 HydrophobicContact CB-CE2 4.33Å; V163-F165 HydrophobicContact CG1-CD2 4.23Å; V163-F165 HydrophobicContact CG1-CE2 3.81Å; V163-F165 HydrophobicContact CG1-CZ 4.18Å; V163-A197 CarbonylContact C-O 3.47Å; V163-A197 WeakPolarHBondContact CA-O 3.49Å; V163-A197 HydrophobicContact CG2-CB 4.21Å; V163-V199 HydrophobicContact CG1-CG2 3.82Å; V163-L219 WeakPolarHBondContact O-CA 3.25Å; V163-K220 PolarHBondContact N-O 2.67Å; V163-K220 PolarHBondContact O-N 3.44Å; V163-F222 HydrophobicContact CB-CD2 4.19Å; V163-F222 HydrophobicContact CB-CE2 3.88Å; V163-F222 HydrophobicContact CG2-CD2 3.6Å; V163-F222 HydrophobicContact CG2-CE2 3.68Å
164	E	98.3	Very high	90.1	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.8	170.7	-172.6	-167.3	-177.7	0	0	110.2	L176 Y180 A197 K198 V199 P217 L219	E164-L176 HydrophobicContact CG-CD2 4.3Å; E164-L176 WeakPolarHBondContact OE1-CD2 3.35Å; E164-Y180 HydrophobicContact CB-CE1 3.93Å; E164-Y180 HydrophobicContact CB-CE2 4.38Å; E164-Y180 PolarHBondContact N-OH 3.43Å; E164-A197 PolarHBondContact N-O 3.48Å; E164-K198 HydrophobicContact CB-CB 4.49Å; E164-K198 CarbonylContact O-C 3.58Å; E164-K198 VanDerWaalsContact O-CA 3.28Å; E164-K198 WeakPolarHBondContact O-CA 3.34Å; E164-V199 PolarHBondContact O-N 2.98Å; E164-P217 HydrophobicContact CG-CB 4.05Å; E164-L219 HydrophobicContact CB-CD2 3.65Å; E164-L219 HydrophobicContact CG-CD2 3.92Å
165	F	98.3	Very high	89.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.1	164	-65.3	-95.7	0	0	0	108.3	F151 V163 V199 A201 L207 A208 H211 V213 P217 T218 K220	F151-F165 AromaticContact CE2-CZ 3.98Å; F151-F165 HydrophobicContact CE2-CZ 3.98Å; F151-F165 HydrophobicContact CZ-CZ 4.25Å; V163-F165 HydrophobicContact CB-CE2 4.33Å; V163-F165 HydrophobicContact CG1-CD2 4.23Å; V163-F165 HydrophobicContact CG1-CE2 3.81Å; V163-F165 HydrophobicContact CG1-CZ 4.18Å; F165-V199 HydrophobicContact CD1-CB 3.75Å; F165-V199 HydrophobicContact CD1-CG1 3.74Å; F165-V199 HydrophobicContact CD1-CG2 4.26Å; F165-V199 HydrophobicContact CE1-CB 3.99Å; F165-V199 HydrophobicContact CE1-CG1 3.9Å; F165-V199 HydrophobicContact CE1-CG2 4.01Å; F165-V199 HydrophobicContact CG-CB 4.38Å; F165-V199 HydrophobicContact CZ-CG2 4.43Å; F165-A201 HydrophobicContact CB-CB 4.42Å; F165-L207 HydrophobicContact CE1-CG 4.15Å; F165-A208 HydrophobicContact CD1-CB 4.47Å; F165-H211 HydrophobicContact CE1-CB 4.41Å; F165-H211 HydrophobicContact CE2-CB 4.32Å; F165-H211 HydrophobicContact CZ-CB 3.87Å; F165-H211 AromaticContact CZ-CD2 3.7Å; F165-H211 AromaticContact CZ-CG 3.9Å; F165-V213 HydrophobicContact CB-CG1 4Å; F165-V213 HydrophobicContact CB-CG2 3.84Å; F165-V213 HydrophobicContact CD1-CG2 3.79Å; F165-V213 HydrophobicContact CD2-CG2 3.86Å; F165-V213 HydrophobicContact CE1-CG2 4.29Å; F165-V213 HydrophobicContact CE2-CG2 4.37Å; F165-V213 HydrophobicContact CG-CG2 3.55Å; F165-P217 WeakPolarHBondContact O-CA 3.41Å; F165-T218 PolarHBondContact N-O 2.96Å; F165-T218 PolarHBondContact O-N 2.76Å; F165-K220 HydrophobicContact CE2-CD 4.21Å
166	Y	96.4	Very high	89.4	Confident	47 Å²	47	40.3 Å²	40.3	18%	0.184	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	166.4	-171.7	79	-80.1	0	0	0	112.1	P168 C173 K198 V199 D200 A201	Y166-P168 HydrophobicContact CE2-CG 4.05Å; Y166-C173 VanDerWaalsContact CB-SG 3.59Å; Y166-K198 HydrophobicContact CD1-CB 3.98Å; Y166-K198 HydrophobicContact CE1-CB 3.81Å; Y166-K198 HydrophobicContact CE1-CD 4.13Å; Y166-K198 HydrophobicContact CE1-CG 3.96Å; Y166-V199 VanDerWaalsContact CD1-C 3.49Å; Y166-V199 WeakPolarHBondContact CD1-O 3.3Å; Y166-V199 VanDerWaalsContact CE1-C 3.45Å; Y166-V199 PolarHBondContact N-O 3.44Å; Y166-D200 HydrophobicContact CE1-CB 4.06Å; Y166-A201 PolarHBondContact O-N 2.75Å
167	S	91.9	Very high	89.5	Confident	9 Å²	9	39.3 Å²	39.3	6%	0.063	22%	0.221	C	C	.	.			trans	-120.3	134	164.9	171.9	0	0	0	0	108.8	T169 C170 T202	S167-T169 PolarHBondContact O-N 3.19Å; S167-T169 VanDerWaalsContact O-N 3.08Å; S167-T169 PolarHBondContact OG-OG1 2.83Å; S167-C170 WeakPolarHBondContact O-CB 3.43Å; S167-C170 PolarHBondContact O-N 3.41Å; S167-C170 VanDerWaalsContact O-N 3.09Å; S167-T202 WeakPolarHBondContact OG-CG2 3.25Å
168	P	83.6	Confident	89.6	Confident	61 Å²	61	37 Å²	37	40%	0.396	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	179.3	-25.3	33.9	0	0	0	114.2	Y166 D200	Y166-P168 HydrophobicContact CE2-CG 4.05Å; P168-D200 WeakPolarHBondContact CD-OD1 3.48Å
169	T	80.4	Confident	89.8	Confident	91 Å²	91	39.4 Å²	39.4	56%	0.558	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	10.5	-177.8	55.5	0	0	0	0	113.4	Q97 S167	Q97-T169 VanDerWaalsContact CD-O 3.27Å; Q97-T169 PolarHBondContact NE2-O 2.93Å; Q97-T169 PolarHBondContact OE1-O 3.46Å; S167-T169 PolarHBondContact O-N 3.19Å; S167-T169 VanDerWaalsContact O-N 3.08Å; S167-T169 PolarHBondContact OG-OG1 2.83Å
170	C	83.6	Confident	90.3	Very high	24 Å²	24	35.9 Å²	35.9	16%	0.162	20%	0.2	C	C	.	.			trans	-92.8	117.3	178.3	176.5	0	0	0	0	110.7	S167 H172 C173 I174 Y216	S167-C170 WeakPolarHBondContact O-CB 3.43Å; S167-C170 PolarHBondContact O-N 3.41Å; S167-C170 VanDerWaalsContact O-N 3.09Å; C170-H172 PolarHBondContact O-N 3.43Å; C170-H172 VanDerWaalsContact O-N 3.16Å; C170-C173 HydrophobicContact CB-CB 3.91Å; C170-C173 VanDerWaalsContact CB-SG 3.56Å; C170-C173 WeakPolarHBondContact O-CA 3.35Å; C170-C173 WeakPolarHBondContact O-CB 3.49Å; C170-C173 PolarHBondContact O-N 3.38Å; C170-C173 VanDerWaalsContact SG-SG 3.65Å; C170-I174 WeakPolarHBondContact O-CG1 3.38Å; C170-I174 PolarHBondContact O-N 2.83Å; C170-Y216 PolarHBondContact SG-O 3.31Å; C170-Y216 VanDerWaalsContact SG-O 3.36Å
171	G	79.3	Confident	90.4	Very high	14 Å²	14	36.8 Å²	36.8	14%	0.144	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-31.6	177.8	0	0	0	0	0	114.2	K175	G171-K175 WeakPolarHBondContact O-CG 3.48Å; G171-K175 PolarHBondContact O-N 3.29Å; G171-K175 VanDerWaalsContact O-N 3.15Å
172	H	83	Confident	90.3	Very high	117 Å²	117	42.1 Å²	42.1	54%	0.542	23%	0.227	S	C	.	.	H	α-helix	trans	-71	-35.3	173.9	-64.5	129.7	0	0	0	112.7	C170 L176 P217	C170-H172 PolarHBondContact O-N 3.43Å; C170-H172 VanDerWaalsContact O-N 3.16Å; H172-L176 WeakPolarHBondContact O-CB 3.37Å; H172-L176 PolarHBondContact O-N 2.98Å; H172-L176 VanDerWaalsContact O-N 3.09Å; H172-P217 HydrophobicContact CB-CG 4.43Å
173	C	89.5	Confident	90.3	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.027	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-43.7	175.2	-63.6	0	0	0	0	111	Y166 C170 K175 L176 A177	Y166-C173 VanDerWaalsContact CB-SG 3.59Å; C170-C173 HydrophobicContact CB-CB 3.91Å; C170-C173 VanDerWaalsContact CB-SG 3.56Å; C170-C173 WeakPolarHBondContact O-CA 3.35Å; C170-C173 WeakPolarHBondContact O-CB 3.49Å; C170-C173 PolarHBondContact O-N 3.38Å; C170-C173 VanDerWaalsContact SG-SG 3.65Å; C173-K175 VanDerWaalsContact C-N 3.3Å; C173-K175 PolarHBondContact O-N 3Å; C173-L176 PolarHBondContact O-N 3.14Å; C173-L176 VanDerWaalsContact O-N 3.09Å; C173-A177 PolarHBondContact O-N 3.15Å
174	I	82.9	Confident	90.3	Very high	44 Å²	44	42.2 Å²	42.2	23%	0.226	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-43.8	176.7	-65.8	168.2	0	0	0	110.7	H114 C170 L176 P178	H114-I174 WeakPolarHBondContact NE2-CG2 3.46Å; C170-I174 WeakPolarHBondContact O-CG1 3.38Å; C170-I174 PolarHBondContact O-N 2.83Å; I174-L176 VanDerWaalsContact C-N 3.35Å; I174-L176 PolarHBondContact O-N 3.42Å; I174-P178 VanDerWaalsContact O-CD 3.31Å; I174-P178 WeakPolarHBondContact O-CD 3.4Å
175	K	84.1	Confident	90.2	Very high	127 Å²	127	46.4 Å²	46.4	55%	0.552	25%	0.246	S	C	*	.	H	α-helix	trans	-66.2	-33.6	175.8	-74	178.9	-179.6	-177.8	0	113.4	G171 C173	G171-K175 WeakPolarHBondContact O-CG 3.48Å; G171-K175 PolarHBondContact O-N 3.29Å; G171-K175 VanDerWaalsContact O-N 3.15Å; C173-K175 VanDerWaalsContact C-N 3.3Å; C173-K175 PolarHBondContact O-N 3Å
176	L	90.9	Very high	90.1	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-76.5	-36.6	-179.6	176	57.6	0	0	0	112.3	E164 H172 C173 I174 E179 Y180 P217 L219 R234 I239	E164-L176 HydrophobicContact CG-CD2 4.3Å; E164-L176 WeakPolarHBondContact OE1-CD2 3.35Å; H172-L176 WeakPolarHBondContact O-CB 3.37Å; H172-L176 PolarHBondContact O-N 2.98Å; H172-L176 VanDerWaalsContact O-N 3.09Å; C173-L176 PolarHBondContact O-N 3.14Å; C173-L176 VanDerWaalsContact O-N 3.09Å; I174-L176 VanDerWaalsContact C-N 3.35Å; I174-L176 PolarHBondContact O-N 3.42Å; L176-E179 PolarHBondContact O-N 2.95Å; L176-Y180 HydrophobicContact CD1-CD2 4.42Å; L176-Y180 WeakPolarHBondContact O-CB 3.34Å; L176-Y180 PolarHBondContact O-N 3.16Å; L176-P217 HydrophobicContact CD2-CB 3.95Å; L176-P217 HydrophobicContact CD2-CG 3.8Å; L176-L219 HydrophobicContact CD2-CD1 4.05Å; L176-L219 HydrophobicContact CD2-CD2 4.44Å; L176-L219 HydrophobicContact CD2-CG 4.45Å; L176-R234 HydrophobicContact CD1-CB 4.13Å; L176-R234 VanDerWaalsContact CD1-O 3.24Å; L176-R234 WeakPolarHBondContact CD1-O 3.32Å; L176-I239 HydrophobicContact CD1-CD1 4.04Å
177	A	90.1	Very high	90.1	Very high	49 Å²	49	46.9 Å²	46.9	41%	0.405	26%	0.256	S	S	.	.	H	α-helix	trans	-45.5	-50.6	-174.9	0	0	0	0	0	115.2	C173 Y180 E181	C173-A177 PolarHBondContact O-N 3.15Å; A177-Y180 PolarHBondContact O-N 3.02Å; A177-E181 VanDerWaalsContact O-CB 3.32Å; A177-E181 WeakPolarHBondContact O-CB 3.2Å; A177-E181 PolarHBondContact O-N 3.06Å
178	P	88.3	Confident	90.3	Very high	82 Å²	82	49.6 Å²	49.6	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-39.6	179.5	25.2	-34.4	0	0	0	113.1	I174 K182	I174-P178 VanDerWaalsContact O-CD 3.31Å; I174-P178 WeakPolarHBondContact O-CD 3.4Å; P178-K182 WeakPolarHBondContact O-CB 3.32Å; P178-K182 PolarHBondContact O-N 3.37Å
179	E	93	Very high	90.8	Very high	61 Å²	61	55 Å²	55	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-67.1	-38.8	177.4	-66.4	-60.5	129.4	0	0	111.4	L176 K182 A183 S236	L176-E179 PolarHBondContact O-N 2.95Å; E179-K182 PolarHBondContact O-N 3.22Å; E179-A183 WeakPolarHBondContact O-CB 3.43Å; E179-A183 PolarHBondContact O-N 2.99Å; E179-S236 WeakPolarHBondContact OE2-CB 3.46Å; E179-S236 PolarHBondContact OE2-N 3.27Å
180	Y	96.9	Very high	91.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-67.5	-42.3	178	-159.5	-111.3	0	0	0	111.7	V143 L162 E164 L176 A177 A183 A184 L196 A197 L219 I239	V143-Y180 HydrophobicContact CB-CD1 4.37Å; V143-Y180 HydrophobicContact CB-CE1 4.47Å; V143-Y180 HydrophobicContact CG1-CD1 3.85Å; V143-Y180 HydrophobicContact CG1-CE1 3.58Å; V143-Y180 HydrophobicContact CG2-CD1 3.52Å; V143-Y180 HydrophobicContact CG2-CE1 3.96Å; V143-Y180 HydrophobicContact CG2-CG 4.49Å; L162-Y180 HydrophobicContact CD2-CE2 3.64Å; L162-Y180 HydrophobicContact CG-CE2 3.97Å; L162-Y180 WeakPolarHBondContact CG-OH 3.04Å; L162-Y180 PolarHBondContact O-OH 2.81Å; E164-Y180 HydrophobicContact CB-CE1 3.93Å; E164-Y180 HydrophobicContact CB-CE2 4.38Å; E164-Y180 PolarHBondContact N-OH 3.43Å; L176-Y180 HydrophobicContact CD1-CD2 4.42Å; L176-Y180 WeakPolarHBondContact O-CB 3.34Å; L176-Y180 PolarHBondContact O-N 3.16Å; A177-Y180 PolarHBondContact O-N 3.02Å; Y180-A183 PolarHBondContact O-N 3.34Å; Y180-A184 WeakPolarHBondContact O-CB 3.41Å; Y180-A184 PolarHBondContact O-N 3.07Å; Y180-L196 HydrophobicContact CD1-CD2 4.3Å; Y180-L196 HydrophobicContact CD2-CD2 3.8Å; Y180-L196 HydrophobicContact CE1-CB 4.02Å; Y180-L196 HydrophobicContact CE1-CD2 4.15Å; Y180-L196 HydrophobicContact CE1-CG 4.21Å; Y180-L196 HydrophobicContact CE2-CD2 3.61Å; Y180-L196 HydrophobicContact CE2-CG 3.94Å; Y180-L196 HydrophobicContact CG-CD2 4.13Å; Y180-L196 WeakPolarHBondContact O-CD2 3.27Å; Y180-A197 WeakPolarHBondContact CE1-O 3.45Å; Y180-A197 PolarHBondContact OH-O 2.71Å; Y180-L219 HydrophobicContact CD2-CD2 4.31Å; Y180-L219 HydrophobicContact CE2-CD2 3.58Å; Y180-I239 HydrophobicContact CD2-CD1 3.95Å
181	E	94.9	Very high	91.4	Very high	30 Å²	30	61.4 Å²	61.4	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-42	174	-176.8	61.9	-155.5	0	0	111.7	A142 V143 A177 A184 K185	A142-E181 VanDerWaalsContact CB-OE1 3.29Å; A142-E181 WeakPolarHBondContact CB-OE1 3.36Å; A142-E181 PolarHBondContact N-OE1 3.06Å; A142-E181 PolarHBondContact N-OE2 3.42Å; V143-E181 VanDerWaalsContact CG2-OE2 3.27Å; V143-E181 WeakPolarHBondContact CG2-OE2 3.48Å; V143-E181 PolarHBondContact N-OE2 3.12Å; A177-E181 VanDerWaalsContact O-CB 3.32Å; A177-E181 WeakPolarHBondContact O-CB 3.2Å; A177-E181 PolarHBondContact O-N 3.06Å; E181-A184 PolarHBondContact O-N 3.33Å; E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 3.11Å; E181-K185 WeakPolarHBondContact OE1-CE 3.26Å; E181-K185 IonicContact OE1-NZ 2.84Å; E181-K185 PolarHBondContact OE1-NZ 2.69Å
182	K	94.7	Very high	91.9	Very high	111 Å²	111	65.5 Å²	65.5	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-43.5	173.9	-176.8	179.2	169.6	-149.9	0	111.6	P178 E179 K185 S186 S236	P178-K182 WeakPolarHBondContact O-CB 3.32Å; P178-K182 PolarHBondContact O-N 3.37Å; E179-K182 PolarHBondContact O-N 3.22Å; K182-K185 PolarHBondContact O-N 3.21Å; K182-S186 PolarHBondContact O-N 3.12Å; K182-S186 VanDerWaalsContact O-N 3.1Å; K182-S236 WeakPolarHBondContact CD-OG 3.45Å; K182-S236 VanDerWaalsContact CE-OG 3.31Å; K182-S236 WeakPolarHBondContact CE-OG 3.2Å; K182-S236 PolarHBondContact NZ-OG 2.83Å
183	A	97.1	Very high	92.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-43.9	175.2	0	0	0	0	0	111.8	E179 Y180 K185 S186 L187 L196 I239 V240	E179-A183 WeakPolarHBondContact O-CB 3.43Å; E179-A183 PolarHBondContact O-N 2.99Å; Y180-A183 PolarHBondContact O-N 3.34Å; A183-K185 VanDerWaalsContact C-N 3.32Å; A183-K185 PolarHBondContact O-N 3.07Å; A183-S186 WeakPolarHBondContact O-CB 3.36Å; A183-S186 PolarHBondContact O-N 2.63Å; A183-S186 VanDerWaalsContact O-N 3.08Å; A183-L187 WeakPolarHBondContact O-CB 3.33Å; A183-L187 WeakPolarHBondContact O-CG 3.49Å; A183-L187 PolarHBondContact O-N 3.45Å; A183-L196 HydrophobicContact CB-CD2 3.9Å; A183-I239 HydrophobicContact CB-CB 3.74Å; A183-I239 HydrophobicContact CB-CD1 4.18Å; A183-I239 HydrophobicContact CB-CG2 3.56Å; A183-V240 HydrophobicContact CB-CG2 4.1Å
184	A	98.1	Very high	92.7	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.025	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-41.2	178	0	0	0	0	0	111.9	A142 V143 Y180 E181 S186 S188 L196	A142-A184 HydrophobicContact CB-CB 3.73Å; V143-A184 HydrophobicContact CG2-CB 3.65Å; Y180-A184 WeakPolarHBondContact O-CB 3.41Å; Y180-A184 PolarHBondContact O-N 3.07Å; E181-A184 PolarHBondContact O-N 3.33Å; A184-S186 VanDerWaalsContact C-N 3.34Å; A184-S186 PolarHBondContact O-N 3.37Å; A184-S188 VanDerWaalsContact O-CB 3.26Å; A184-S188 WeakPolarHBondContact O-CB 3.1Å; A184-S188 PolarHBondContact O-N 3.46Å; A184-S188 PolarHBondContact O-OG 3.01Å; A184-S188 VanDerWaalsContact O-OG 3.09Å; A184-L196 HydrophobicContact CB-CB 3.74Å; A184-L196 HydrophobicContact CB-CD2 3.98Å; A184-L196 HydrophobicContact CB-CG 4.44Å
185	K	96.6	Very high	93.4	Very high	93 Å²	93	61.9 Å²	61.9	40%	0.404	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-34.4	173.8	-74	173.2	-179.2	157.8	0	113.3	A142 E181 K182 A183 S188 K189	A142-K185 HydrophobicContact CB-CB 4.43Å; A142-K185 HydrophobicContact CB-CG 3.48Å; A142-K185 VanDerWaalsContact CB-CG 3.48Å; E181-K185 WeakPolarHBondContact O-CG 3.35Å; E181-K185 PolarHBondContact O-N 3.11Å; E181-K185 WeakPolarHBondContact OE1-CE 3.26Å; E181-K185 IonicContact OE1-NZ 2.84Å; E181-K185 PolarHBondContact OE1-NZ 2.69Å; K182-K185 PolarHBondContact O-N 3.21Å; A183-K185 VanDerWaalsContact C-N 3.32Å; A183-K185 PolarHBondContact O-N 3.07Å; K185-S188 PolarHBondContact O-OG 3.26Å; K185-K189 WeakPolarHBondContact O-CE 3.45Å; K185-K189 WeakPolarHBondContact O-CG 3.28Å
186	S	96.2	Very high	94	Very high	57 Å²	57	55.9 Å²	55.9	40%	0.399	30%	0.303	S	S	.	.	H	α-helix	trans	-72.7	-50	176.9	-168.9	0	0	0	0	110.7	K182 A183 A184 S188 K189	K182-S186 PolarHBondContact O-N 3.12Å; K182-S186 VanDerWaalsContact O-N 3.1Å; A183-S186 WeakPolarHBondContact O-CB 3.36Å; A183-S186 PolarHBondContact O-N 2.63Å; A183-S186 VanDerWaalsContact O-N 3.08Å; A184-S186 VanDerWaalsContact C-N 3.34Å; A184-S186 PolarHBondContact O-N 3.37Å; S186-S188 VanDerWaalsContact C-N 3.33Å; S186-S188 PolarHBondContact O-N 3.13Å; S186-K189 WeakPolarHBondContact O-CB 2.98Å; S186-K189 PolarHBondContact O-N 2.84Å; S186-K189 VanDerWaalsContact O-N 3.16Å
187	L	97.2	Very high	94.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.6	-26.9	-175.3	-71	169.6	0	0	0	113.5	A183 K189 R190 I194 L196 I239 V240 M243 E244	A183-L187 WeakPolarHBondContact O-CB 3.33Å; A183-L187 WeakPolarHBondContact O-CG 3.49Å; A183-L187 PolarHBondContact O-N 3.45Å; L187-K189 VanDerWaalsContact C-N 3.26Å; L187-K189 PolarHBondContact O-N 2.73Å; L187-R190 WeakPolarHBondContact O-CB 3.27Å; L187-R190 PolarHBondContact O-N 2.94Å; L187-I194 HydrophobicContact CB-CB 4.15Å; L187-I194 WeakPolarHBondContact CB-O 3.49Å; L187-I194 HydrophobicContact CD2-CB 4.3Å; L187-I194 HydrophobicContact CD2-CD1 3.81Å; L187-I194 PolarHBondContact O-N 3.35Å; L187-I194 VanDerWaalsContact O-N 3.16Å; L187-L196 HydrophobicContact CD1-CD1 3.37Å; L187-L196 HydrophobicContact CD1-CD2 4.4Å; L187-I239 HydrophobicContact CD1-CG2 4.45Å; L187-V240 HydrophobicContact CD1-CG2 4.48Å; L187-V240 HydrophobicContact CD2-CB 4.41Å; L187-V240 HydrophobicContact CD2-CG1 4.04Å; L187-V240 HydrophobicContact CD2-CG2 4.43Å; L187-V240 HydrophobicContact CG-CG2 4.09Å; L187-M243 HydrophobicContact CD1-CB 3.88Å; L187-M243 HydrophobicContact CD1-CG 4.19Å; L187-M243 HydrophobicContact CD2-CB 4.24Å; L187-E244 HydrophobicContact CD2-CG 3.84Å
188	S	95.3	Very high	94.8	Very high	67 Å²	67	55.2 Å²	55.2	47%	0.469	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20	174.2	64.1	0	0	0	0	113.9	A184 K185 S186 R190	A184-S188 VanDerWaalsContact O-CB 3.26Å; A184-S188 WeakPolarHBondContact O-CB 3.1Å; A184-S188 PolarHBondContact O-N 3.46Å; A184-S188 PolarHBondContact O-OG 3.01Å; A184-S188 VanDerWaalsContact O-OG 3.09Å; K185-S188 PolarHBondContact O-OG 3.26Å; S186-S188 VanDerWaalsContact C-N 3.33Å; S186-S188 PolarHBondContact O-N 3.13Å; S188-R190 VanDerWaalsContact C-N 3.32Å
189	K	94.5	Very high	95.3	Very high	173 Å²	173	51.3 Å²	51.3	75%	0.752	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.4	177.6	-64.1	170.7	-175.1	175.5	0	113.3	K185 S186 L187	K185-K189 WeakPolarHBondContact O-CE 3.45Å; K185-K189 WeakPolarHBondContact O-CG 3.28Å; S186-K189 WeakPolarHBondContact O-CB 2.98Å; S186-K189 PolarHBondContact O-N 2.84Å; S186-K189 VanDerWaalsContact O-N 3.16Å; L187-K189 VanDerWaalsContact C-N 3.26Å; L187-K189 PolarHBondContact O-N 2.73Å
190	R	91.2	Very high	95.5	Very high	58 Å²	58	49 Å²	49	22%	0.219	26%	0.255	C	S	.	.	S	Bend	trans	-73.8	164.5	179.7	-64.9	179.1	76.3	-113.7	22.3	112.1	L187 S188 P192 A193 E244 S247	L187-R190 WeakPolarHBondContact O-CB 3.27Å; L187-R190 PolarHBondContact O-N 2.94Å; S188-R190 VanDerWaalsContact C-N 3.32Å; R190-P192 CarbonylContact C-O 3.52Å; R190-P192 WeakPolarHBondContact CB-O 3.48Å; R190-P192 PolarHBondContact NH1-O 3.47Å; R190-P192 VanDerWaalsContact NH1-O 3.1Å; R190-P192 CarbonylContact O-C 3.42Å; R190-A193 WeakPolarHBondContact O-CA 3.3Å; R190-A193 PolarHBondContact O-N 3.44Å; R190-A193 VanDerWaalsContact O-N 3.16Å; R190-E244 WeakPolarHBondContact CD-OE1 3.46Å; R190-E244 IonicContact CZ-OE1 2.82Å; R190-E244 IonicContact NE-OE1 2.86Å; R190-E244 PolarHBondContact NE-OE1 3.42Å; R190-S247 PolarHBondContact NH2-OG 2.81Å
191	Q	86.4	Confident	95.5	Very high	193 Å²	193	48.9 Å²	48.9	90%	0.902	26%	0.255	S	S	*	.	S	Bend	trans	-128.1	110.6	167.7	-65.5	-169	5.9	0	0	110.1
192	P	88.1	Confident	95.3	Very high	99 Å²	99	50.5 Å²	50.5	64%	0.643	27%	0.267	S	S	*	.	S	Bend	cis	-69.1	150.9	-5.2	31.1	-34.9	0	0	0	112.2	R190	R190-P192 CarbonylContact C-O 3.52Å; R190-P192 WeakPolarHBondContact CB-O 3.48Å; R190-P192 PolarHBondContact NH1-O 3.47Å; R190-P192 VanDerWaalsContact NH1-O 3.1Å; R190-P192 CarbonylContact O-C 3.42Å
193	A	93.6	Very high	95.4	Very high	53 Å²	53	52.5 Å²	52.5	44%	0.438	28%	0.276	S	S	.	.			trans	-64.5	144.2	173.2	0	0	0	0	0	110.3	R190	R190-A193 WeakPolarHBondContact O-CA 3.3Å; R190-A193 PolarHBondContact O-N 3.44Å; R190-A193 VanDerWaalsContact O-N 3.16Å
194	I	96	Very high	95.4	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.284	C	S	.	.			trans	-107.4	106.6	170.8	-59.3	158.6	0	0	0	108	I160 L187 M243 E244	I160-I194 HydrophobicContact CG2-CG1 4.03Å; I160-I194 HydrophobicContact CG2-CG2 4.13Å; L187-I194 HydrophobicContact CB-CB 4.15Å; L187-I194 WeakPolarHBondContact CB-O 3.49Å; L187-I194 HydrophobicContact CD2-CB 4.3Å; L187-I194 HydrophobicContact CD2-CD1 3.81Å; L187-I194 PolarHBondContact O-N 3.35Å; L187-I194 VanDerWaalsContact O-N 3.16Å; I194-M243 HydrophobicContact CD1-CB 4.34Å; I194-M243 WeakPolarHBondContact CD1-O 3.47Å; I194-M243 HydrophobicContact CG2-CB 4.21Å; I194-M243 HydrophobicContact CG2-CE 3.66Å; I194-E244 HydrophobicContact CD1-CG 4.4Å
195	P	97.3	Very high	95.2	Very high	35 Å²	35	58.7 Å²	58.7	23%	0.227	31%	0.307	C	S	.	.			trans	-68.1	145	177	26	-33	0	0	0	111.5	I144 A158 I160 I161 L162	I144-P195 HydrophobicContact CD1-CB 3.76Å; A158-P195 HydrophobicContact CB-CG 4.05Å; I160-P195 WeakPolarHBondContact O-CD 3.27Å; I161-P195 WeakPolarHBondContact CA-O 3.45Å; I161-P195 HydrophobicContact CB-CG 3.89Å; I161-P195 HydrophobicContact CD1-CB 4.05Å; I161-P195 HydrophobicContact CD1-CG 3.96Å; I161-P195 HydrophobicContact CG1-CB 4.08Å; I161-P195 HydrophobicContact CG1-CG 3.84Å; I161-P195 WeakPolarHBondContact CG1-O 3.49Å; L162-P195 PolarHBondContact N-O 3.48Å
196	L	98.5	Very high	95.1	Very high	1 Å²	1	60 Å²	60	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.9	164.3	-97.3	60.2	0	0	0	108.1	V143 I144 L162 Y180 A183 A184 L187 I239	V143-L196 WeakPolarHBondContact CA-O 3.42Å; I144-L196 PolarHBondContact N-O 3.18Å; L162-L196 HydrophobicContact CB-CD1 3.91Å; L162-L196 HydrophobicContact CB-CG 3.98Å; L162-L196 HydrophobicContact CD2-CD1 4.42Å; L162-L196 HydrophobicContact CD2-CD2 4.46Å; L162-L196 HydrophobicContact CD2-CG 4.23Å; L162-L196 HydrophobicContact CG-CG 4.47Å; L162-L196 CarbonylContact O-C 3.54Å; L162-L196 WeakPolarHBondContact O-CA 3.12Å; Y180-L196 HydrophobicContact CD1-CD2 4.3Å; Y180-L196 HydrophobicContact CD2-CD2 3.8Å; Y180-L196 HydrophobicContact CE1-CB 4.02Å; Y180-L196 HydrophobicContact CE1-CD2 4.15Å; Y180-L196 HydrophobicContact CE1-CG 4.21Å; Y180-L196 HydrophobicContact CE2-CD2 3.61Å; Y180-L196 HydrophobicContact CE2-CG 3.94Å; Y180-L196 HydrophobicContact CG-CD2 4.13Å; Y180-L196 WeakPolarHBondContact O-CD2 3.27Å; A183-L196 HydrophobicContact CB-CD2 3.9Å; A184-L196 HydrophobicContact CB-CB 3.74Å; A184-L196 HydrophobicContact CB-CD2 3.98Å; A184-L196 HydrophobicContact CB-CG 4.44Å; L187-L196 HydrophobicContact CD1-CD1 3.37Å; L187-L196 HydrophobicContact CD1-CD2 4.4Å; L196-I239 HydrophobicContact CD2-CG2 3.94Å
197	A	98.4	Very high	95.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.5	-177	0	0	0	0	0	112.1	I144 L146 I161 L162 V163 E164 Y180	I144-A197 HydrophobicContact CB-CB 4.11Å; I144-A197 CarbonylContact O-C 3.46Å; I144-A197 WeakPolarHBondContact O-CA 3.49Å; I144-A197 WeakPolarHBondContact O-CB 3.33Å; L146-A197 HydrophobicContact CD1-CB 3.49Å; L146-A197 VanDerWaalsContact CD1-CB 3.49Å; L146-A197 HydrophobicContact CG-CB 3.75Å; I161-A197 HydrophobicContact CD1-CB 3.89Å; I161-A197 HydrophobicContact CG1-CB 4.32Å; L162-A197 PolarHBondContact O-N 2.96Å; V163-A197 CarbonylContact C-O 3.47Å; V163-A197 WeakPolarHBondContact CA-O 3.49Å; V163-A197 HydrophobicContact CG2-CB 4.21Å; E164-A197 PolarHBondContact N-O 3.48Å; Y180-A197 WeakPolarHBondContact CE1-O 3.45Å; Y180-A197 PolarHBondContact OH-O 2.71Å
198	K	98.2	Very high	95	Very high	40 Å²	40	58.2 Å²	58.2	17%	0.174	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.9	177.4	67.2	-172.3	172	-173.6	0	111.7	D141 V143 I144 T145 L146 E164 Y166	D141-K198 IonicContact OD2-NZ 3.76Å; D141-K198 PolarHBondContact OD2-NZ 2.9Å; V143-K198 HydrophobicContact CB-CD 4.45Å; V143-K198 HydrophobicContact CG1-CB 3.75Å; V143-K198 HydrophobicContact CG1-CD 3.83Å; V143-K198 HydrophobicContact CG1-CG 3.72Å; I144-K198 PolarHBondContact O-N 3.08Å; T145-K198 WeakPolarHBondContact OG1-CE 3.37Å; L146-K198 PolarHBondContact N-O 3.4Å; E164-K198 HydrophobicContact CB-CB 4.49Å; E164-K198 CarbonylContact O-C 3.58Å; E164-K198 VanDerWaalsContact O-CA 3.28Å; E164-K198 WeakPolarHBondContact O-CA 3.34Å; Y166-K198 HydrophobicContact CD1-CB 3.98Å; Y166-K198 HydrophobicContact CE1-CB 3.81Å; Y166-K198 HydrophobicContact CE1-CD 4.13Å; Y166-K198 HydrophobicContact CE1-CG 3.96Å
199	V	98.3	Very high	95	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.4	176.8	175.1	0	0	0	0	107.8	L146 F151 V163 E164 F165 Y166 A201 E204 L207	L146-V199 HydrophobicContact CB-CG2 3.68Å; L146-V199 HydrophobicContact CD1-CG2 4.48Å; F151-V199 HydrophobicContact CD2-CG2 4.16Å; F151-V199 HydrophobicContact CE2-CG2 4.19Å; V163-V199 HydrophobicContact CG1-CG2 3.82Å; E164-V199 PolarHBondContact O-N 2.98Å; F165-V199 HydrophobicContact CD1-CB 3.75Å; F165-V199 HydrophobicContact CD1-CG1 3.74Å; F165-V199 HydrophobicContact CD1-CG2 4.26Å; F165-V199 HydrophobicContact CE1-CB 3.99Å; F165-V199 HydrophobicContact CE1-CG1 3.9Å; F165-V199 HydrophobicContact CE1-CG2 4.01Å; F165-V199 HydrophobicContact CG-CB 4.38Å; F165-V199 HydrophobicContact CZ-CG2 4.43Å; Y166-V199 VanDerWaalsContact CD1-C 3.49Å; Y166-V199 WeakPolarHBondContact CD1-O 3.3Å; Y166-V199 VanDerWaalsContact CE1-C 3.45Å; Y166-V199 PolarHBondContact N-O 3.44Å; V199-A201 PolarHBondContact O-N 3.06Å; V199-E204 HydrophobicContact CG1-CB 3.66Å; V199-E204 HydrophobicContact CG1-CG 3.95Å; V199-L207 HydrophobicContact CG1-CD2 3.81Å; V199-L207 HydrophobicContact CG2-CD2 4.01Å
200	D	97.2	Very high	94.9	Very high	12 Å²	12	56 Å²	56	6%	0.064	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	95.3	169.2	-178.8	-11	0	0	0	108.3	Y166 P168 T202 K203 E204	Y166-D200 HydrophobicContact CE1-CB 4.06Å; P168-D200 WeakPolarHBondContact CD-OD1 3.48Å; D200-T202 PolarHBondContact O-N 2.76Å; D200-T202 VanDerWaalsContact O-N 3.17Å; D200-T202 WeakPolarHBondContact OD1-CB 3.45Å; D200-T202 PolarHBondContact OD1-N 2.71Å; D200-T202 PolarHBondContact OD1-OG1 3.27Å; D200-K203 HydrophobicContact CB-CB 4.49Å; D200-K203 HydrophobicContact CB-CD 4.4Å; D200-K203 PolarHBondContact O-N 2.82Å; D200-K203 VanDerWaalsContact OD2-CD 3.24Å; D200-K203 WeakPolarHBondContact OD2-CD 3.39Å; D200-K203 WeakPolarHBondContact OD2-CE 3.48Å; D200-K203 IonicContact OD2-NZ 2.93Å; D200-K203 PolarHBondContact OD2-NZ 3.17Å; D200-E204 WeakPolarHBondContact O-CB 3.34Å; D200-E204 PolarHBondContact O-N 2.51Å
201	A	97	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	-175.2	0	0	0	0	0	112.9	F165 Y166 V199 K203 N205 A208 Y216	F165-A201 HydrophobicContact CB-CB 4.42Å; Y166-A201 PolarHBondContact O-N 2.75Å; V199-A201 PolarHBondContact O-N 3.06Å; A201-K203 VanDerWaalsContact C-N 3.33Å; A201-N205 PolarHBondContact O-OD1 2.82Å; A201-A208 HydrophobicContact CB-CB 3.89Å; A201-Y216 HydrophobicContact CB-CD1 4.15Å; A201-Y216 HydrophobicContact CB-CE1 3.28Å
202	T	92.1	Very high	95.3	Very high	63 Å²	63	53.7 Å²	53.7	39%	0.387	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.4	172.5	74	0	0	0	0	112.1	S167 D200 N205	S167-T202 WeakPolarHBondContact OG-CG2 3.25Å; D200-T202 PolarHBondContact O-N 2.76Å; D200-T202 VanDerWaalsContact O-N 3.17Å; D200-T202 WeakPolarHBondContact OD1-CB 3.45Å; D200-T202 PolarHBondContact OD1-N 2.71Å; D200-T202 PolarHBondContact OD1-OG1 3.27Å; T202-N205 PolarHBondContact O-ND2 3.12Å
203	K	95.4	Very high	95.5	Very high	154 Å²	154	50 Å²	50	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-42.3	174.1	-64.6	176.4	-172.8	155.7	0	111.4	D200 A201 N205	D200-K203 HydrophobicContact CB-CB 4.49Å; D200-K203 HydrophobicContact CB-CD 4.4Å; D200-K203 PolarHBondContact O-N 2.82Å; D200-K203 VanDerWaalsContact OD2-CD 3.24Å; D200-K203 WeakPolarHBondContact OD2-CD 3.39Å; D200-K203 WeakPolarHBondContact OD2-CE 3.48Å; D200-K203 IonicContact OD2-NZ 2.93Å; D200-K203 PolarHBondContact OD2-NZ 3.17Å; A201-K203 VanDerWaalsContact C-N 3.33Å; K203-N205 VanDerWaalsContact C-N 3.35Å; K203-N205 PolarHBondContact O-N 2.97Å
204	E	97.3	Very high	95.3	Very high	36 Å²	36	53.5 Å²	53.5	17%	0.168	29%	0.285	C	S	.	.			trans	-94	52.4	-175.1	-57.9	-64	158.3	0	0	112.3	T147 S148 V199 D200 Q206 L207 A208	T147-E204 VanDerWaalsContact CB-OE1 3.29Å; T147-E204 WeakPolarHBondContact CB-OE1 3.35Å; S148-E204 WeakPolarHBondContact CB-OE2 3.36Å; S148-E204 PolarHBondContact N-OE2 2.88Å; S148-E204 PolarHBondContact OG-OE2 2.79Å; V199-E204 HydrophobicContact CG1-CB 3.66Å; V199-E204 HydrophobicContact CG1-CG 3.95Å; D200-E204 WeakPolarHBondContact O-CB 3.34Å; D200-E204 PolarHBondContact O-N 2.51Å; E204-Q206 VanDerWaalsContact C-N 3.35Å; E204-Q206 PolarHBondContact O-N 2.64Å; E204-L207 HydrophobicContact CB-CB 4.13Å; E204-L207 HydrophobicContact CB-CD2 4.29Å; E204-L207 PolarHBondContact O-N 2.78Å; E204-A208 PolarHBondContact O-N 3.16Å
205	N	95.1	Very high	95.1	Very high	97 Å²	97	54.8 Å²	54.8	52%	0.519	30%	0.298	S	S	.	.	H	α-helix	trans	-58.4	-40.1	-171.2	-67.3	-78.3	0	0	0	113.9	A201 T202 K203 T209	A201-N205 PolarHBondContact O-OD1 2.82Å; T202-N205 PolarHBondContact O-ND2 3.12Å; K203-N205 VanDerWaalsContact C-N 3.35Å; K203-N205 PolarHBondContact O-N 2.97Å; N205-T209 WeakPolarHBondContact O-CB 3.27Å; N205-T209 PolarHBondContact O-N 2.93Å; N205-T209 PolarHBondContact O-OG1 2.92Å
206	Q	94.5	Very high	94.9	Very high	121 Å²	121	57.2 Å²	57.2	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-67.7	-45.6	178.9	-174.4	61.6	50.9	0	0	111.1	E204 A208 T209 D210	E204-Q206 VanDerWaalsContact C-N 3.35Å; E204-Q206 PolarHBondContact O-N 2.64Å; Q206-A208 VanDerWaalsContact C-N 3.3Å; Q206-A208 PolarHBondContact O-N 3.49Å; Q206-T209 CarbonylContact O-C 3.56Å; Q206-T209 WeakPolarHBondContact O-CA 3.4Å; Q206-T209 WeakPolarHBondContact O-CB 3.28Å; Q206-T209 PolarHBondContact O-N 3.15Å; Q206-D210 PolarHBondContact NE2-OD1 2.94Å; Q206-D210 VanDerWaalsContact O-CG 3.26Å; Q206-D210 PolarHBondContact O-N 3.47Å
207	L	95.3	Very high	94.7	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-41.2	177.4	-176	64	0	0	0	111.5	F151 F165 V199 E204 T209 D210 H211	F151-L207 HydrophobicContact CB-CD1 4.15Å; F151-L207 HydrophobicContact CB-CD2 4.06Å; F151-L207 HydrophobicContact CD1-CD1 3.76Å; F151-L207 HydrophobicContact CD2-CD1 3.86Å; F151-L207 HydrophobicContact CD2-CD2 3.52Å; F151-L207 HydrophobicContact CD2-CG 4.14Å; F151-L207 HydrophobicContact CE1-CD1 4.06Å; F151-L207 HydrophobicContact CE2-CD1 4.11Å; F151-L207 HydrophobicContact CE2-CD2 4.09Å; F151-L207 HydrophobicContact CE2-CG 4.36Å; F151-L207 HydrophobicContact CG-CD1 3.65Å; F151-L207 HydrophobicContact CG-CD2 3.91Å; F151-L207 HydrophobicContact CG-CG 4.36Å; F151-L207 HydrophobicContact CZ-CD1 4.21Å; F165-L207 HydrophobicContact CE1-CG 4.15Å; V199-L207 HydrophobicContact CG1-CD2 3.81Å; V199-L207 HydrophobicContact CG2-CD2 4.01Å; E204-L207 HydrophobicContact CB-CB 4.13Å; E204-L207 HydrophobicContact CB-CD2 4.29Å; E204-L207 PolarHBondContact O-N 2.78Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 2.91Å; L207-D210 PolarHBondContact O-N 2.9Å; L207-H211 PolarHBondContact O-CD2 3.23Å; L207-H211 PolarHBondContact O-N 3.01Å; L207-H211 VanDerWaalsContact O-N 3.17Å
208	A	96	Very high	94.6	Very high	6 Å²	6	58.4 Å²	58.4	5%	0.05	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-40.7	173.2	0	0	0	0	0	112.2	F165 A201 E204 Q206 H211 Q212 V213	F165-A208 HydrophobicContact CD1-CB 4.47Å; A201-A208 HydrophobicContact CB-CB 3.89Å; E204-A208 PolarHBondContact O-N 3.16Å; Q206-A208 VanDerWaalsContact C-N 3.3Å; Q206-A208 PolarHBondContact O-N 3.49Å; A208-H211 CarbonylContact O-C 3.44Å; A208-H211 PolarHBondContact O-N 3.39Å; A208-Q212 PolarHBondContact O-N 3.33Å; A208-Q212 VanDerWaalsContact O-N 3.17Å; A208-V213 HydrophobicContact CB-CB 4.13Å; A208-V213 HydrophobicContact CB-CG2 4.4Å; A208-V213 WeakPolarHBondContact O-CB 3.46Å; A208-V213 WeakPolarHBondContact O-CG2 3.46Å; A208-V213 PolarHBondContact O-N 3.5Å
209	T	94.2	Very high	94.6	Very high	92 Å²	92	56.9 Å²	56.9	56%	0.564	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-46.2	177.2	-58.7	0	0	0	0	111.9	N205 Q206 L207 H211 Q212	N205-T209 WeakPolarHBondContact O-CB 3.27Å; N205-T209 PolarHBondContact O-N 2.93Å; N205-T209 PolarHBondContact O-OG1 2.92Å; Q206-T209 CarbonylContact O-C 3.56Å; Q206-T209 WeakPolarHBondContact O-CA 3.4Å; Q206-T209 WeakPolarHBondContact O-CB 3.28Å; Q206-T209 PolarHBondContact O-N 3.15Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 2.91Å; T209-H211 PolarHBondContact O-N 3.5Å; T209-Q212 PolarHBondContact O-N 3.46Å
210	D	93.7	Very high	94.5	Very high	102 Å²	102	57.3 Å²	57.3	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-31.6	179.7	-68.2	-15.9	0	0	0	111.7	Q206 L207	Q206-D210 PolarHBondContact NE2-OD1 2.94Å; Q206-D210 VanDerWaalsContact O-CG 3.26Å; Q206-D210 PolarHBondContact O-N 3.47Å; L207-D210 PolarHBondContact O-N 2.9Å
211	H	92.6	Very high	94.3	Very high	37 Å²	37	56.8 Å²	56.8	17%	0.171	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	10.1	174.6	-68.8	-61.9	0	0	0	114.2	F151 F165 L207 A208 T209 V213 K220 F222	F151-H211 AromaticContact CE1-CE1 3.77Å; F151-H211 AromaticContact CE1-NE2 3.1Å; F151-H211 WeakPolarHBondContact CE1-NE2 3.44Å; F151-H211 AromaticContact CZ-CD2 3.72Å; F151-H211 AromaticContact CZ-CE1 3.88Å; F151-H211 AromaticContact CZ-NE2 3.2Å; F151-H211 WeakPolarHBondContact CZ-NE2 3.31Å; F165-H211 HydrophobicContact CE1-CB 4.41Å; F165-H211 HydrophobicContact CE2-CB 4.32Å; F165-H211 HydrophobicContact CZ-CB 3.87Å; F165-H211 AromaticContact CZ-CD2 3.7Å; F165-H211 AromaticContact CZ-CG 3.9Å; L207-H211 PolarHBondContact O-CD2 3.23Å; L207-H211 PolarHBondContact O-N 3.01Å; L207-H211 VanDerWaalsContact O-N 3.17Å; A208-H211 CarbonylContact O-C 3.44Å; A208-H211 PolarHBondContact O-N 3.39Å; T209-H211 PolarHBondContact O-N 3.5Å; H211-V213 VanDerWaalsContact C-N 3.3Å; H211-V213 HydrophobicContact CB-CG2 4.35Å; H211-V213 PolarHBondContact O-N 2.9Å; H211-K220 HydrophobicContact CB-CD 4.19Å; H211-K220 WeakPolarHBondContact O-CE 3.43Å; H211-K220 PolarHBondContact O-NZ 3Å; H211-F222 AromaticContact CE1-CE1 3.52Å; H211-F222 AromaticContact CE1-CZ 3.64Å; H211-F222 AromaticContact ND1-CE1 3.83Å; H211-F222 AromaticContact ND1-CZ 3.66Å
212	Q	92.4	Very high	94	Very high	165 Å²	165	56.9 Å²	56.9	77%	0.771	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	39.4	175.4	-54.6	175.5	-30.2	0	0	113.4	A208 T209 S214	A208-Q212 PolarHBondContact O-N 3.33Å; A208-Q212 VanDerWaalsContact O-N 3.17Å; T209-Q212 PolarHBondContact O-N 3.46Å; Q212-S214 PolarHBondContact O-N 3.35Å
213	V	91.8	Very high	93.6	Very high	22 Å²	22	55 Å²	55	13%	0.133	29%	0.29	C	S	.	.			trans	-76.8	115.2	176.7	177.7	0	0	0	0	109.4	F165 A208 H211 G215 Y216 T218	F165-V213 HydrophobicContact CB-CG1 4Å; F165-V213 HydrophobicContact CB-CG2 3.84Å; F165-V213 HydrophobicContact CD1-CG2 3.79Å; F165-V213 HydrophobicContact CD2-CG2 3.86Å; F165-V213 HydrophobicContact CE1-CG2 4.29Å; F165-V213 HydrophobicContact CE2-CG2 4.37Å; F165-V213 HydrophobicContact CG-CG2 3.55Å; A208-V213 HydrophobicContact CB-CB 4.13Å; A208-V213 HydrophobicContact CB-CG2 4.4Å; A208-V213 WeakPolarHBondContact O-CB 3.46Å; A208-V213 WeakPolarHBondContact O-CG2 3.46Å; A208-V213 PolarHBondContact O-N 3.5Å; H211-V213 VanDerWaalsContact C-N 3.3Å; H211-V213 HydrophobicContact CB-CG2 4.35Å; H211-V213 PolarHBondContact O-N 2.9Å; V213-G215 WeakPolarHBondContact CG1-O 3.46Å; V213-Y216 HydrophobicContact CG1-CD1 4.08Å; V213-Y216 HydrophobicContact CG1-CE1 3.71Å; V213-T218 HydrophobicContact CG2-CG2 4.14Å
214	S	90.5	Very high	92.6	Very high	127 Å²	127	54.6 Å²	54.6	89%	0.888	29%	0.288	S	S	*	.			trans	-106.4	-5.4	-178.7	58.5	0	0	0	0	114.4	Q212	Q212-S214 PolarHBondContact O-N 3.35Å
215	G	91	Very high	91.5	Very high	29 Å²	29	54.5 Å²	54.5	30%	0.299	30%	0.297	S	S	.	.	S	Bend	trans	-168.4	179.9	-179.6	0	0	0	0	0	112	V213 T218	V213-G215 WeakPolarHBondContact CG1-O 3.46Å; G215-T218 PolarHBondContact O-OG1 3.02Å
216	Y	92.5	Very high	90.7	Very high	85 Å²	85	57.3 Å²	57.3	33%	0.333	30%	0.3	S	S	.	.	S	Bend	trans	-133.9	142.5	-174.8	-48.9	-58.9	0	0	0	112.9	C170 A201 V213	C170-Y216 PolarHBondContact SG-O 3.31Å; C170-Y216 VanDerWaalsContact SG-O 3.36Å; A201-Y216 HydrophobicContact CB-CD1 4.15Å; A201-Y216 HydrophobicContact CB-CE1 3.28Å; V213-Y216 HydrophobicContact CG1-CD1 4.08Å; V213-Y216 HydrophobicContact CG1-CE1 3.71Å
217	P	95.8	Very high	90.3	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.032	29%	0.292	C	S	.	.	S	Bend	cis	-72.7	142.8	-11.8	28.7	-31.8	0	0	0	111.1	E164 F165 H172 L176 R234	E164-P217 HydrophobicContact CG-CB 4.05Å; F165-P217 WeakPolarHBondContact O-CA 3.41Å; H172-P217 HydrophobicContact CB-CG 4.43Å; L176-P217 HydrophobicContact CD2-CB 3.95Å; L176-P217 HydrophobicContact CD2-CG 3.8Å; P217-R234 PolarHBondContact O-NH2 2.87Å
218	T	96.6	Very high	89.8	Confident	22 Å²	22	55.6 Å²	55.6	14%	0.135	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125	164.2	-72.6	0	0	0	0	108.4	F165 V213 G215 K220	F165-T218 PolarHBondContact N-O 2.96Å; F165-T218 PolarHBondContact O-N 2.76Å; V213-T218 HydrophobicContact CG2-CG2 4.14Å; G215-T218 PolarHBondContact O-OG1 3.02Å; T218-K220 HydrophobicContact CG2-CG 4.26Å
219	L	97.2	Very high	89.3	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.037	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.1	179.8	-73.5	163.1	0	0	0	109.2	L162 V163 E164 L176 Y180 Y230 R234	L162-L219 HydrophobicContact CD1-CB 4.23Å; L162-L219 HydrophobicContact CD1-CD2 4.26Å; L162-L219 HydrophobicContact CD2-CD2 4.41Å; L162-L219 HydrophobicContact CG-CD2 4.23Å; V163-L219 WeakPolarHBondContact O-CA 3.25Å; E164-L219 HydrophobicContact CB-CD2 3.65Å; E164-L219 HydrophobicContact CG-CD2 3.92Å; L176-L219 HydrophobicContact CD2-CD1 4.05Å; L176-L219 HydrophobicContact CD2-CD2 4.44Å; L176-L219 HydrophobicContact CD2-CG 4.45Å; Y180-L219 HydrophobicContact CD2-CD2 4.31Å; Y180-L219 HydrophobicContact CE2-CD2 3.58Å; L219-Y230 HydrophobicContact CB-CD1 3.76Å; L219-Y230 HydrophobicContact CB-CG 3.81Å; L219-Y230 HydrophobicContact CD1-CD1 3.56Å; L219-Y230 HydrophobicContact CD1-CE1 3.8Å; L219-Y230 HydrophobicContact CD1-CG 4.31Å; L219-Y230 HydrophobicContact CG-CD1 4.3Å; L219-Y230 VanDerWaalsContact O-CB 3.28Å; L219-Y230 WeakPolarHBondContact O-CB 3.31Å; L219-Y230 PolarHBondContact O-N 3.07Å; L219-R234 HydrophobicContact CD1-CG 4.45Å
220	K	95.6	Very high	89.1	Confident	10 Å²	10	56.4 Å²	56.4	4%	0.043	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.7	176.4	-71	-178.6	-171.8	-94.7	0	111.1	V163 F165 H211 T218 F222 Y228 E229	V163-K220 PolarHBondContact N-O 2.67Å; V163-K220 PolarHBondContact O-N 3.44Å; F165-K220 HydrophobicContact CE2-CD 4.21Å; H211-K220 HydrophobicContact CB-CD 4.19Å; H211-K220 WeakPolarHBondContact O-CE 3.43Å; H211-K220 PolarHBondContact O-NZ 3Å; T218-K220 HydrophobicContact CG2-CG 4.26Å; K220-F222 HydrophobicContact CB-CD2 4.3Å; K220-F222 HydrophobicContact CB-CE2 3.67Å; K220-F222 HydrophobicContact CB-CZ 4.25Å; K220-Y228 CarbonylContact C-O 3.54Å; K220-Y228 VanDerWaalsContact CA-O 3.28Å; K220-Y228 WeakPolarHBondContact CA-O 3.31Å; K220-E229 IonicContact NZ-OE1 3.56Å; K220-E229 PolarHBondContact NZ-OE1 3.26Å
221	V	93.3	Very high	88.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.4	168.4	179.7	0	0	0	0	108	I160 I161 L162 A227 Y228 Y230 Y242 M243 M246	I160-V221 HydrophobicContact CD1-CG1 3.84Å; I160-V221 HydrophobicContact CG1-CG1 3.84Å; I161-V221 WeakPolarHBondContact O-CA 3.21Å; L162-V221 HydrophobicContact CD1-CG2 3.95Å; V221-A227 CarbonylContact O-C 3.56Å; V221-A227 WeakPolarHBondContact O-CA 3.15Å; V221-Y228 PolarHBondContact N-O 2.92Å; V221-Y228 PolarHBondContact O-N 3.46Å; V221-Y230 HydrophobicContact CG2-CD2 4.05Å; V221-Y242 HydrophobicContact CG2-CE1 3.84Å; V221-M243 HydrophobicContact CG1-CE 4.28Å; V221-M243 HydrophobicContact CG2-CE 4.45Å; V221-M243 HydrophobicContact CG2-SD 3.79Å; V221-M246 HydrophobicContact CG1-CE 4.13Å
222	F	91.8	Very high	88	Confident	3 Å²	3	57.6 Å²	57.6	1%	0.013	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.8	167.5	-65.5	-101.6	0	0	0	108.8	F151 V155 I160 I161 V163 H211 K220 R226 A227	F151-F222 HydrophobicContact CE1-CE1 4.27Å; F151-F222 HydrophobicContact CE1-CZ 4.27Å; F151-F222 HydrophobicContact CZ-CE1 4.02Å; F151-F222 HydrophobicContact CZ-CE2 4.05Å; F151-F222 AromaticContact CZ-CZ 3.58Å; F151-F222 HydrophobicContact CZ-CZ 3.58Å; V155-F222 HydrophobicContact CG1-CB 3.49Å; V155-F222 VanDerWaalsContact CG1-CB 3.49Å; V155-F222 HydrophobicContact CG1-CD1 3.34Å; V155-F222 HydrophobicContact CG1-CD2 4.2Å; V155-F222 HydrophobicContact CG1-CE1 4.06Å; V155-F222 HydrophobicContact CG1-CG 3.41Å; V155-F222 VanDerWaalsContact CG1-CG 3.41Å; I160-F222 CarbonylContact C-O 3.58Å; I160-F222 VanDerWaalsContact CA-O 3.23Å; I160-F222 WeakPolarHBondContact CA-O 3.26Å; I161-F222 HydrophobicContact CG2-CB 3.66Å; I161-F222 HydrophobicContact CG2-CG 4.45Å; I161-F222 PolarHBondContact N-O 2.79Å; I161-F222 PolarHBondContact O-N 3.43Å; V163-F222 HydrophobicContact CB-CD2 4.19Å; V163-F222 HydrophobicContact CB-CE2 3.88Å; V163-F222 HydrophobicContact CG2-CD2 3.6Å; V163-F222 HydrophobicContact CG2-CE2 3.68Å; H211-F222 AromaticContact CE1-CE1 3.52Å; H211-F222 AromaticContact CE1-CZ 3.64Å; H211-F222 AromaticContact ND1-CE1 3.83Å; H211-F222 AromaticContact ND1-CZ 3.66Å; K220-F222 HydrophobicContact CB-CD2 4.3Å; K220-F222 HydrophobicContact CB-CE2 3.67Å; K220-F222 HydrophobicContact CB-CZ 4.25Å; F222-R226 CarbonylContact C-O 3.53Å; F222-R226 VanDerWaalsContact CA-O 3.24Å; F222-R226 WeakPolarHBondContact CA-O 3.37Å; F222-A227 HydrophobicContact CD1-CB 3.86Å; F222-A227 HydrophobicContact CE1-CB 3.51Å; F222-A227 HydrophobicContact CZ-CB 3.92Å
223	R	83.2	Confident	87.6	Confident	24 Å²	24	51.4 Å²	51.4	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.6	176.9	-167.2	177.4	-176.7	-114.3	8	108.7	P159 I160 G225 R226 Y228 M246 L248 N293	P159-R223 WeakPolarHBondContact O-CA 3.28Å; I160-R223 HydrophobicContact CB-CG 4.49Å; R223-G225 PolarHBondContact O-N 3.35Å; R223-R226 PolarHBondContact N-O 2.74Å; R223-R226 PolarHBondContact O-N 3.15Å; R223-R226 VanDerWaalsContact O-N 3.07Å; R223-Y228 HydrophobicContact CB-CD2 4.4Å; R223-Y228 HydrophobicContact CB-CE2 3.97Å; R223-M246 PolarHBondContact NE-O 3.01Å; R223-L248 PolarHBondContact NH2-O 3.15Å; R223-N293 PolarHBondContact NH1-ND2 2.99Å; R223-N293 VanDerWaalsContact NH1-ND2 3.16Å
224	F	74.1	Confident	87.5	Confident	144 Å²	144	56.5 Å²	56.5	63%	0.632	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	45.5	-171.3	-52	-70.8	0	0	0	112.5	P159 R226	P159-F224 HydrophobicContact CB-CE1 4.1Å; P159-F224 PolarHBondContact O-N 2.69Å; F224-R226 PolarHBondContact O-N 3.03Å
225	G	74	Confident	87.2	Confident	34 Å²	34	54.4 Å²	54.4	35%	0.351	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-6.6	-179.2	0	0	0	0	0	116.3	R223	R223-G225 PolarHBondContact O-N 3.35Å
226	R	79.1	Confident	87.1	Confident	156 Å²	156	53.2 Å²	53.2	59%	0.589	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.5	175.8	-66.6	-176.9	-179.3	171.8	1	111	F222 R223 F224 Y228	F222-R226 CarbonylContact C-O 3.53Å; F222-R226 VanDerWaalsContact CA-O 3.24Å; F222-R226 WeakPolarHBondContact CA-O 3.37Å; R223-R226 PolarHBondContact N-O 2.74Å; R223-R226 PolarHBondContact O-N 3.15Å; R223-R226 VanDerWaalsContact O-N 3.07Å; F224-R226 PolarHBondContact O-N 3.03Å; R226-Y228 HydrophobicContact CB-CE2 3.78Å; R226-Y228 VanDerWaalsContact O-CD2 3.26Å; R226-Y228 WeakPolarHBondContact O-CD2 3.4Å; R226-Y228 VanDerWaalsContact O-CE2 3.24Å; R226-Y228 WeakPolarHBondContact O-CE2 3.46Å
227	A	85.8	Confident	86.6	Confident	48 Å²	48	54.3 Å²	54.3	40%	0.397	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138.1	177.2	0	0	0	0	0	112	V221 F222	V221-A227 CarbonylContact O-C 3.56Å; V221-A227 WeakPolarHBondContact O-CA 3.15Å; F222-A227 HydrophobicContact CD1-CB 3.86Å; F222-A227 HydrophobicContact CE1-CB 3.51Å; F222-A227 HydrophobicContact CZ-CB 3.92Å
228	Y	83.8	Confident	86	Confident	49 Å²	49	55 Å²	55	19%	0.192	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.7	171.8	-56.3	-93.8	0	0	0	108.5	K220 V221 R223 R226 Y230	K220-Y228 CarbonylContact C-O 3.54Å; K220-Y228 VanDerWaalsContact CA-O 3.28Å; K220-Y228 WeakPolarHBondContact CA-O 3.31Å; V221-Y228 PolarHBondContact N-O 2.92Å; V221-Y228 PolarHBondContact O-N 3.46Å; R223-Y228 HydrophobicContact CB-CD2 4.4Å; R223-Y228 HydrophobicContact CB-CE2 3.97Å; R226-Y228 HydrophobicContact CB-CE2 3.78Å; R226-Y228 VanDerWaalsContact O-CD2 3.26Å; R226-Y228 WeakPolarHBondContact O-CD2 3.4Å; R226-Y228 VanDerWaalsContact O-CE2 3.24Å; R226-Y228 WeakPolarHBondContact O-CE2 3.46Å; Y228-Y230 PolarHBondContact O-N 3.01Å
229	E	87	Confident	85.8	Confident	95 Å²	95	53.9 Å²	53.9	44%	0.444	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129.7	170.4	-68.5	-57.6	138.5	0	0	109.9	K220	K220-E229 IonicContact NZ-OE1 3.56Å; K220-E229 PolarHBondContact NZ-OE1 3.26Å
230	Y	89.3	Confident	85.6	Confident	21 Å²	21	54.3 Å²	54.3	8%	0.082	28%	0.275	C	S	.	.			trans	-75.1	129.5	171.8	173.3	-90.9	0	0	0	109.9	L162 L219 V221 Y228 G232 G233 G238 I239 Y242 M243	L162-Y230 HydrophobicContact CD1-CD2 3.52Å; L162-Y230 HydrophobicContact CD1-CE2 4.3Å; L162-Y230 HydrophobicContact CD1-CG 3.88Å; L162-Y230 HydrophobicContact CD2-CD2 4Å; L162-Y230 HydrophobicContact CD2-CE2 3.93Å; L162-Y230 HydrophobicContact CG-CD2 4.44Å; L219-Y230 HydrophobicContact CB-CD1 3.76Å; L219-Y230 HydrophobicContact CB-CG 3.81Å; L219-Y230 HydrophobicContact CD1-CD1 3.56Å; L219-Y230 HydrophobicContact CD1-CE1 3.8Å; L219-Y230 HydrophobicContact CD1-CG 4.31Å; L219-Y230 HydrophobicContact CG-CD1 4.3Å; L219-Y230 VanDerWaalsContact O-CB 3.28Å; L219-Y230 WeakPolarHBondContact O-CB 3.31Å; L219-Y230 PolarHBondContact O-N 3.07Å; V221-Y230 HydrophobicContact CG2-CD2 4.05Å; Y228-Y230 PolarHBondContact O-N 3.01Å; Y230-G232 VanDerWaalsContact CE1-C 3.45Å; Y230-G232 WeakPolarHBondContact CE1-O 3.27Å; Y230-G232 VanDerWaalsContact CZ-CA 3.42Å; Y230-G232 VanDerWaalsContact OH-CA 3.28Å; Y230-G232 WeakPolarHBondContact OH-CA 3.32Å; Y230-G233 PolarHBondContact OH-N 3.24Å; Y230-G233 PolarHBondContact OH-O 2.7Å; Y230-G238 PolarHBondContact OH-O 3.1Å; Y230-I239 WeakPolarHBondContact OH-CA 3.49Å; Y230-Y242 AromaticContact CD2-CD1 3.4Å; Y230-Y242 HydrophobicContact CD2-CD1 3.4Å; Y230-Y242 AromaticContact CD2-CE1 3.4Å; Y230-Y242 HydrophobicContact CD2-CE1 3.4Å; Y230-Y242 HydrophobicContact CD2-CG 4.29Å; Y230-Y242 AromaticContact CE2-CD1 3.18Å; Y230-Y242 HydrophobicContact CE2-CD1 3.18Å; Y230-Y242 AromaticContact CE2-CE1 3.71Å; Y230-Y242 HydrophobicContact CE2-CE1 3.71Å; Y230-Y242 AromaticContact CE2-CG 3.73Å; Y230-Y242 HydrophobicContact CE2-CG 3.73Å; Y230-Y242 HydrophobicContact CG-CE1 4.24Å; Y230-M243 HydrophobicContact CD2-SD 4.44Å; Y230-M243 HydrophobicContact CE2-SD 4.49Å
231	R	83.2	Confident	85.1	Confident	142 Å²	142	57.2 Å²	57.2	54%	0.536	30%	0.296	S	S	.	.			trans	-121.6	6.7	-177.7	-61	-174.4	-177.7	169.5	3.6	114.5	Y242	R231-Y242 HydrophobicContact CB-CE2 4.3Å; R231-Y242 PolarHBondContact N-OH 3.19Å
232	G	81	Confident	84.7	Confident	21 Å²	21	59.3 Å²	59.3	22%	0.216	30%	0.304	C	S	.	.	S	Bend	trans	-76	177.9	178.3	0	0	0	0	0	113.5	Y230	Y230-G232 VanDerWaalsContact CE1-C 3.45Å; Y230-G232 WeakPolarHBondContact CE1-O 3.27Å; Y230-G232 VanDerWaalsContact CZ-CA 3.42Å; Y230-G232 VanDerWaalsContact OH-CA 3.28Å; Y230-G232 WeakPolarHBondContact OH-CA 3.32Å
233	G	82.5	Confident	84.6	Confident	35 Å²	35	59.1 Å²	59.1	36%	0.361	30%	0.304	S	S	.	.			trans	-72.9	143	175.9	0	0	0	0	0	112.4	Y230 N235 G238 I239	Y230-G233 PolarHBondContact OH-N 3.24Å; Y230-G233 PolarHBondContact OH-O 2.7Å; G233-N235 VanDerWaalsContact C-N 3.28Å; G233-N235 PolarHBondContact O-N 3.38Å; G233-G238 CarbonylContact O-C 3.48Å; G233-I239 WeakPolarHBondContact O-CG1 3.33Å; G233-I239 PolarHBondContact O-N 2.93Å
234	R	89.5	Confident	84.8	Confident	130 Å²	130	61.2 Å²	61.2	49%	0.491	32%	0.315	S	S	.	.	S	Bend	trans	-83.4	10.6	-176.7	-68.1	-176.2	179.4	-172.2	-5.5	115.3	L176 P217 L219	L176-R234 HydrophobicContact CD1-CB 4.13Å; L176-R234 VanDerWaalsContact CD1-O 3.24Å; L176-R234 WeakPolarHBondContact CD1-O 3.32Å; P217-R234 PolarHBondContact O-NH2 2.87Å; L219-R234 HydrophobicContact CD1-CG 4.45Å
235	N	84.8	Confident	85.1	Confident	83 Å²	83	57.8 Å²	57.8	44%	0.444	30%	0.3	S	S	.	.	S	Bend	trans	-97.9	165.9	170.3	63.8	52.9	0	0	0	109.9	G233 D237 G238 I239	G233-N235 VanDerWaalsContact C-N 3.28Å; G233-N235 PolarHBondContact O-N 3.38Å; N235-D237 VanDerWaalsContact C-N 3.28Å; N235-D237 PolarHBondContact O-N 2.97Å; N235-D237 PolarHBondContact OD1-N 2.99Å; N235-G238 PolarHBondContact O-N 3.38Å; N235-G238 PolarHBondContact OD1-N 2.78Å; N235-I239 WeakPolarHBondContact O-CD1 3.27Å; N235-I239 VanDerWaalsContact O-CG1 3.29Å; N235-I239 WeakPolarHBondContact O-CG1 3.38Å; N235-I239 PolarHBondContact O-N 3Å
236	S	88.8	Confident	85.4	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-54.8	-45.8	-173.3	67.4	0	0	0	0	112	E179 K182 I239 V240	E179-S236 WeakPolarHBondContact OE2-CB 3.46Å; E179-S236 PolarHBondContact OE2-N 3.27Å; K182-S236 WeakPolarHBondContact CD-OG 3.45Å; K182-S236 VanDerWaalsContact CE-OG 3.31Å; K182-S236 WeakPolarHBondContact CE-OG 3.2Å; K182-S236 PolarHBondContact NZ-OG 2.83Å; S236-I239 PolarHBondContact O-N 3.34Å; S236-V240 VanDerWaalsContact O-CG2 3.27Å; S236-V240 WeakPolarHBondContact O-CG2 3.33Å; S236-V240 PolarHBondContact O-N 3.1Å
237	D	82.6	Confident	85.7	Confident	108 Å²	108	52.2 Å²	52.2	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-70.9	-41	-173.2	-60.3	-6.6	0	0	0	110.5	N235 I239 V240 S241	N235-D237 VanDerWaalsContact C-N 3.28Å; N235-D237 PolarHBondContact O-N 2.97Å; N235-D237 PolarHBondContact OD1-N 2.99Å; D237-I239 PolarHBondContact O-N 2.84Å; D237-V240 PolarHBondContact O-N 3.43Å; D237-S241 WeakPolarHBondContact O-CB 3.41Å; D237-S241 PolarHBondContact O-N 2.59Å; D237-S241 PolarHBondContact O-OG 2.98Å
238	G	82.1	Confident	85.1	Confident	19 Å²	19	53.6 Å²	53.6	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-37.3	173.5	0	0	0	0	0	113.2	Y230 G233 N235 Y242	Y230-G238 PolarHBondContact OH-O 3.1Å; G233-G238 CarbonylContact O-C 3.48Å; N235-G238 PolarHBondContact O-N 3.38Å; N235-G238 PolarHBondContact OD1-N 2.78Å; G238-Y242 WeakPolarHBondContact O-CB 3.16Å; G238-Y242 PolarHBondContact O-N 3.35Å; G238-Y242 VanDerWaalsContact O-N 3.15Å
239	I	94.1	Very high	84.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-48.3	173.9	-63.7	159.8	0	0	0	110.6	L162 L176 Y180 A183 L187 L196 Y230 G233 N235 S236 D237 M243	L162-I239 HydrophobicContact CD2-CG2 3.72Å; L176-I239 HydrophobicContact CD1-CD1 4.04Å; Y180-I239 HydrophobicContact CD2-CD1 3.95Å; A183-I239 HydrophobicContact CB-CB 3.74Å; A183-I239 HydrophobicContact CB-CD1 4.18Å; A183-I239 HydrophobicContact CB-CG2 3.56Å; L187-I239 HydrophobicContact CD1-CG2 4.45Å; L196-I239 HydrophobicContact CD2-CG2 3.94Å; Y230-I239 WeakPolarHBondContact OH-CA 3.49Å; G233-I239 WeakPolarHBondContact O-CG1 3.33Å; G233-I239 PolarHBondContact O-N 2.93Å; N235-I239 WeakPolarHBondContact O-CD1 3.27Å; N235-I239 VanDerWaalsContact O-CG1 3.29Å; N235-I239 WeakPolarHBondContact O-CG1 3.38Å; N235-I239 PolarHBondContact O-N 3Å; S236-I239 PolarHBondContact O-N 3.34Å; D237-I239 PolarHBondContact O-N 2.84Å; I239-M243 HydrophobicContact CG2-CG 4.32Å; I239-M243 WeakPolarHBondContact O-CB 3.23Å; I239-M243 VanDerWaalsContact O-CG 3.31Å; I239-M243 WeakPolarHBondContact O-CG 3.03Å; I239-M243 PolarHBondContact O-N 2.84Å
240	V	92.2	Very high	83.3	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-57.5	179.3	173.1	0	0	0	0	110	A183 L187 S236 D237 Y242 M243 E244	A183-V240 HydrophobicContact CB-CG2 4.1Å; L187-V240 HydrophobicContact CD1-CG2 4.48Å; L187-V240 HydrophobicContact CD2-CB 4.41Å; L187-V240 HydrophobicContact CD2-CG1 4.04Å; L187-V240 HydrophobicContact CD2-CG2 4.43Å; L187-V240 HydrophobicContact CG-CG2 4.09Å; S236-V240 VanDerWaalsContact O-CG2 3.27Å; S236-V240 WeakPolarHBondContact O-CG2 3.33Å; S236-V240 PolarHBondContact O-N 3.1Å; D237-V240 PolarHBondContact O-N 3.43Å; V240-Y242 VanDerWaalsContact C-N 3.32Å; V240-Y242 PolarHBondContact O-N 3.37Å; V240-M243 PolarHBondContact O-N 3.22Å; V240-E244 HydrophobicContact CG1-CG 4.11Å; V240-E244 WeakPolarHBondContact O-CB 3.41Å; V240-E244 VanDerWaalsContact O-CG 3.26Å; V240-E244 WeakPolarHBondContact O-CG 3.32Å; V240-E244 PolarHBondContact O-N 2.97Å
241	S	84	Confident	82.6	Confident	71 Å²	71	52.2 Å²	52.2	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-43.4	-176.6	-62.2	0	0	0	0	112.4	D237 E244 E245	D237-S241 WeakPolarHBondContact O-CB 3.41Å; D237-S241 PolarHBondContact O-N 2.59Å; D237-S241 PolarHBondContact O-OG 2.98Å; S241-E244 PolarHBondContact O-N 3.26Å; S241-E245 VanDerWaalsContact O-CB 3.31Å; S241-E245 WeakPolarHBondContact O-CB 3.48Å; S241-E245 PolarHBondContact O-N 3.29Å
242	Y	85.7	Confident	82.4	Confident	44 Å²	44	48.6 Å²	48.6	17%	0.173	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-44.9	178.7	-174.2	-90	0	0	0	112.4	V221 Y230 R231 G238 V240 E245 M246	V221-Y242 HydrophobicContact CG2-CE1 3.84Å; Y230-Y242 AromaticContact CD2-CD1 3.4Å; Y230-Y242 HydrophobicContact CD2-CD1 3.4Å; Y230-Y242 AromaticContact CD2-CE1 3.4Å; Y230-Y242 HydrophobicContact CD2-CE1 3.4Å; Y230-Y242 HydrophobicContact CD2-CG 4.29Å; Y230-Y242 AromaticContact CE2-CD1 3.18Å; Y230-Y242 HydrophobicContact CE2-CD1 3.18Å; Y230-Y242 AromaticContact CE2-CE1 3.71Å; Y230-Y242 HydrophobicContact CE2-CE1 3.71Å; Y230-Y242 AromaticContact CE2-CG 3.73Å; Y230-Y242 HydrophobicContact CE2-CG 3.73Å; Y230-Y242 HydrophobicContact CG-CE1 4.24Å; R231-Y242 HydrophobicContact CB-CE2 4.3Å; R231-Y242 PolarHBondContact N-OH 3.19Å; G238-Y242 WeakPolarHBondContact O-CB 3.16Å; G238-Y242 PolarHBondContact O-N 3.35Å; G238-Y242 VanDerWaalsContact O-N 3.15Å; V240-Y242 VanDerWaalsContact C-N 3.32Å; V240-Y242 PolarHBondContact O-N 3.37Å; Y242-E245 PolarHBondContact O-N 3.15Å; Y242-M246 HydrophobicContact CD1-CG 3.94Å; Y242-M246 HydrophobicContact CE1-CG 3.67Å; Y242-M246 HydrophobicContact CE1-SD 4.49Å; Y242-M246 WeakPolarHBondContact O-CB 3.31Å; Y242-M246 VanDerWaalsContact O-CG 3.24Å; Y242-M246 WeakPolarHBondContact O-CG 3.25Å; Y242-M246 PolarHBondContact O-N 2.74Å
243	M	90.9	Very high	82.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.5	-34.8	-179.8	-71	-53	-62	0	0	112.3	I160 L162 L187 I194 V221 Y230 I239 V240 S247	I160-M243 HydrophobicContact CD1-CE 3.76Å; I160-M243 HydrophobicContact CG1-CE 3.69Å; L162-M243 HydrophobicContact CB-CE 3.73Å; L162-M243 HydrophobicContact CB-CG 4.26Å; L162-M243 HydrophobicContact CB-SD 3.73Å; L162-M243 HydrophobicContact CD1-SD 4.17Å; L162-M243 HydrophobicContact CD2-CG 3.94Å; L162-M243 HydrophobicContact CD2-SD 3.98Å; L162-M243 HydrophobicContact CG-SD 4.18Å; L187-M243 HydrophobicContact CD1-CB 3.88Å; L187-M243 HydrophobicContact CD1-CG 4.19Å; L187-M243 HydrophobicContact CD2-CB 4.24Å; I194-M243 HydrophobicContact CD1-CB 4.34Å; I194-M243 WeakPolarHBondContact CD1-O 3.47Å; I194-M243 HydrophobicContact CG2-CB 4.21Å; I194-M243 HydrophobicContact CG2-CE 3.66Å; V221-M243 HydrophobicContact CG1-CE 4.28Å; V221-M243 HydrophobicContact CG2-CE 4.45Å; V221-M243 HydrophobicContact CG2-SD 3.79Å; Y230-M243 HydrophobicContact CD2-SD 4.44Å; Y230-M243 HydrophobicContact CE2-SD 4.49Å; I239-M243 HydrophobicContact CG2-CG 4.32Å; I239-M243 WeakPolarHBondContact O-CB 3.23Å; I239-M243 VanDerWaalsContact O-CG 3.31Å; I239-M243 WeakPolarHBondContact O-CG 3.03Å; I239-M243 PolarHBondContact O-N 2.84Å; V240-M243 PolarHBondContact O-N 3.22Å; M243-S247 VanDerWaalsContact O-CB 3.28Å; M243-S247 WeakPolarHBondContact O-CB 3.34Å; M243-S247 PolarHBondContact O-N 3.42Å
244	E	87	Confident	82.7	Confident	68 Å²	68	49.6 Å²	49.6	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-45.7	172.6	-70.4	-168.5	128.2	0	0	111.5	L187 R190 I194 V240 S241 S247 L248	L187-E244 HydrophobicContact CD2-CG 3.84Å; R190-E244 WeakPolarHBondContact CD-OE1 3.46Å; R190-E244 IonicContact CZ-OE1 2.82Å; R190-E244 IonicContact NE-OE1 2.86Å; R190-E244 PolarHBondContact NE-OE1 3.42Å; I194-E244 HydrophobicContact CD1-CG 4.4Å; V240-E244 HydrophobicContact CG1-CG 4.11Å; V240-E244 WeakPolarHBondContact O-CB 3.41Å; V240-E244 VanDerWaalsContact O-CG 3.26Å; V240-E244 WeakPolarHBondContact O-CG 3.32Å; V240-E244 PolarHBondContact O-N 2.97Å; S241-E244 PolarHBondContact O-N 3.26Å; E244-S247 WeakPolarHBondContact O-CB 3.37Å; E244-S247 PolarHBondContact O-N 3.09Å; E244-S247 PolarHBondContact O-OG 2.68Å; E244-L248 PolarHBondContact O-N 2.82Å
245	E	79.8	Confident	82.5	Confident	71 Å²	71	48.6 Å²	48.6	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-48.7	175	-173.9	168.2	-154.1	0	0	110.9	S241 Y242 S247 L248 R264	S241-E245 VanDerWaalsContact O-CB 3.31Å; S241-E245 WeakPolarHBondContact O-CB 3.48Å; S241-E245 PolarHBondContact O-N 3.29Å; Y242-E245 PolarHBondContact O-N 3.15Å; E245-S247 PolarHBondContact O-N 3.17Å; E245-L248 VanDerWaalsContact O-CB 3.32Å; E245-L248 WeakPolarHBondContact O-CB 3.27Å; E245-L248 WeakPolarHBondContact O-CG 3.37Å; E245-L248 PolarHBondContact O-N 2.65Å; E245-L248 VanDerWaalsContact O-N 3.15Å; E245-R264 IonicContact OE1-NH1 3.97Å; E245-R264 PolarHBondContact OE1-NH1 2.98Å; E245-R264 IonicContact OE2-NH1 3.43Å; E245-R264 PolarHBondContact OE2-NH1 2.78Å
246	M	80.9	Confident	82.4	Confident	43 Å²	43	50 Å²	50	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-24.1	177.3	-69.8	-67.4	-68.9	0	0	113.9	I160 V221 R223 Y242 L248	I160-M246 VanDerWaalsContact CD1-C 3.45Å; I160-M246 HydrophobicContact CD1-CB 3.43Å; I160-M246 VanDerWaalsContact CD1-CB 3.43Å; I160-M246 WeakPolarHBondContact CD1-O 3.47Å; V221-M246 HydrophobicContact CG1-CE 4.13Å; R223-M246 PolarHBondContact NE-O 3.01Å; Y242-M246 HydrophobicContact CD1-CG 3.94Å; Y242-M246 HydrophobicContact CE1-CG 3.67Å; Y242-M246 HydrophobicContact CE1-SD 4.49Å; Y242-M246 WeakPolarHBondContact O-CB 3.31Å; Y242-M246 VanDerWaalsContact O-CG 3.24Å; Y242-M246 WeakPolarHBondContact O-CG 3.25Å; Y242-M246 PolarHBondContact O-N 2.74Å; M246-L248 VanDerWaalsContact C-N 3.3Å
247	S	84.1	Confident	81.8	Confident	31 Å²	31	54.2 Å²	54.2	22%	0.217	30%	0.301	C	S	.	.	H	α-helix	trans	-78	-15	177	79.2	0	0	0	0	113.7	R190 M243 E244 E245	R190-S247 PolarHBondContact NH2-OG 2.81Å; M243-S247 VanDerWaalsContact O-CB 3.28Å; M243-S247 WeakPolarHBondContact O-CB 3.34Å; M243-S247 PolarHBondContact O-N 3.42Å; E244-S247 WeakPolarHBondContact O-CB 3.37Å; E244-S247 PolarHBondContact O-N 3.09Å; E244-S247 PolarHBondContact O-OG 2.68Å; E245-S247 PolarHBondContact O-N 3.17Å
248	L	74.1	Confident	81.6	Confident	76 Å²	76	53.7 Å²	53.7	40%	0.398	30%	0.295	S	S	.	.	S	Bend	trans	-58.6	151.7	177.6	-65.1	175.5	0	0	0	109.8	R223 E244 E245 M246	R223-L248 PolarHBondContact NH2-O 3.15Å; E244-L248 PolarHBondContact O-N 2.82Å; E245-L248 VanDerWaalsContact O-CB 3.32Å; E245-L248 WeakPolarHBondContact O-CB 3.27Å; E245-L248 WeakPolarHBondContact O-CG 3.37Å; E245-L248 PolarHBondContact O-N 2.65Å; E245-L248 VanDerWaalsContact O-N 3.15Å; M246-L248 VanDerWaalsContact C-N 3.3Å
249	P	68.4	Low	81.4	Confident	92 Å²	92	54.7 Å²	54.7	60%	0.597	29%	0.294	S	S	*	.			trans	-49.2	147.7	166.4	-22.9	33	0	0	0	109.3	I251	P249-I251 PolarHBondContact O-N 2.87Å
250	A	65.3	Low	80.6	Confident	26 Å²	26	58.6 Å²	58.6	22%	0.215	32%	0.315	C	S	.	.	S	Bend	trans	-49.2	-40.1	178.7	0	0	0	0	0	110.9	D299	A250-D299 VanDerWaalsContact O-OD2 3.11Å
251	I	74.2	Confident	79.9	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.092	34%	0.343	C	S	.	.	S	Bend	trans	-120.1	122.8	174.6	-60.5	159	0	0	0	109.9	P249 F285 L286 D299 H300 L301	P249-I251 PolarHBondContact O-N 2.87Å; I251-F285 HydrophobicContact CD1-CD1 3.68Å; I251-F285 HydrophobicContact CD1-CE1 3.6Å; I251-F285 HydrophobicContact CD1-CZ 4.46Å; I251-F285 HydrophobicContact CG1-CE1 4.1Å; I251-F285 HydrophobicContact CG2-CE1 3.91Å; I251-L286 HydrophobicContact CB-CD2 4.44Å; I251-L286 HydrophobicContact CD1-CD2 3.55Å; I251-D299 WeakPolarHBondContact CA-O 3.44Å; I251-D299 HydrophobicContact CG1-CB 4.16Å; I251-D299 WeakPolarHBondContact CG1-OD2 3.48Å; I251-H300 VanDerWaalsContact CG2-C 3.4Å; I251-L301 HydrophobicContact CB-CD2 4.41Å; I251-L301 HydrophobicContact CG2-CB 3.65Å; I251-L301 HydrophobicContact CG2-CD2 3.61Å; I251-L301 HydrophobicContact CG2-CG 3.77Å
252	R	78.5	Confident	79.6	Confident	66 Å²	66	69.2 Å²	69.2	25%	0.249	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.1	173.9	-175.4	174.1	76.4	102.6	-1.7	111.2	L254 E259 D299 H300 L301	R252-L254 VanDerWaalsContact NH2-CD2 3.29Å; R252-L254 PolarHBondContact O-N 3.16Å; R252-E259 IonicContact NH1-OE1 2.95Å; R252-E259 PolarHBondContact NH1-OE1 2.87Å; R252-D299 PolarHBondContact N-O 2.93Å; R252-H300 PolarHBondContact NE-CD2 3.38Å; R252-H300 VanDerWaalsContact NE-CD2 3.3Å; R252-H300 PolarHBondContact NE-NE2 2.66Å; R252-H300 PolarHBondContact NH2-CD2 3.49Å; R252-H300 PolarHBondContact NH2-NE2 2.89Å; R252-H300 CarbonylContact O-C 3.5Å; R252-H300 WeakPolarHBondContact O-CA 3.4Å; R252-L301 PolarHBondContact O-N 3.27Å
253	E	84.9	Confident	79.2	Confident	66 Å²	66	68.3 Å²	68.3	31%	0.308	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122.5	171.1	-178.8	163.7	-171	0	0	110.2	T255 K277 L301	E253-T255 HydrophobicContact CG-CG2 4.28Å; E253-K277 VanDerWaalsContact OE1-CE 3.27Å; E253-K277 WeakPolarHBondContact OE1-CE 3.07Å; E253-K277 IonicContact OE1-NZ 3.78Å; E253-K277 PolarHBondContact OE1-NZ 3.16Å; E253-K277 IonicContact OE2-NZ 3.39Å; E253-K277 PolarHBondContact OE2-NZ 3.27Å; E253-L301 CarbonylContact C-O 3.54Å; E253-L301 WeakPolarHBondContact CA-O 3.39Å; E253-L301 HydrophobicContact CB-CD1 3.63Å; E253-L301 HydrophobicContact CB-CG 4.01Å; E253-L301 HydrophobicContact CG-CD1 3.5Å; E253-L301 HydrophobicContact CG-CG 4.41Å
254	L	85.5	Confident	78.5	Confident	12 Å²	12	73.7 Å²	73.7	6%	0.063	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.5	171	-59.6	171.7	0	0	0	107.6	R252 E259 L260 I263 I271 H300 L301 A302	R252-L254 VanDerWaalsContact NH2-CD2 3.29Å; R252-L254 PolarHBondContact O-N 3.16Å; L254-E259 VanDerWaalsContact CA-OE2 3.3Å; L254-E259 WeakPolarHBondContact CA-OE2 3.43Å; L254-E259 HydrophobicContact CD2-CB 3.67Å; L254-L260 HydrophobicContact CD1-CD2 3.38Å; L254-L260 HydrophobicContact CD1-CG 3.98Å; L254-I263 HydrophobicContact CD1-CD1 4.22Å; L254-I263 HydrophobicContact CD2-CD1 4.34Å; L254-I271 HydrophobicContact CD1-CG2 4.47Å; L254-H300 HydrophobicContact CD1-CB 3.72Å; L254-H300 HydrophobicContact CD2-CB 4.49Å; L254-H300 VanDerWaalsContact CD2-CD2 3.43Å; L254-H300 WeakPolarHBondContact CD2-CD2 3.08Å; L254-H300 HydrophobicContact CG-CB 3.92Å; L254-L301 PolarHBondContact N-O 3.02Å; L254-A302 HydrophobicContact CB-CB 4.33Å
255	T	83.7	Confident	78.1	Confident	109 Å²	109	74.5 Å²	74.5	67%	0.669	38%	0.377	S	S	*	.			trans	-97.4	-24.8	178.7	57.1	0	0	0	0	112	E253 E259	E253-T255 HydrophobicContact CG-CG2 4.28Å; T255-E259 PolarHBondContact N-OE2 3.03Å
256	E	82.8	Confident	78.1	Confident	113 Å²	113	74.5 Å²	74.5	53%	0.528	38%	0.379	S	S	.	.	S	Bend	trans	-125.1	138.7	-178.2	-62.5	-174.3	177.8	0	0	112.2	Q258 E259	E256-Q258 PolarHBondContact O-N 3.43Å; E256-Q258 VanDerWaalsContact O-N 3.12Å; E256-E259 HydrophobicContact CB-CG 4.24Å; E256-E259 PolarHBondContact N-OE2 3.09Å; E256-E259 VanDerWaalsContact N-OE2 3.11Å; E256-E259 WeakPolarHBondContact O-CB 3.43Å; E256-E259 PolarHBondContact O-N 2.81Å
257	P	76	Confident	78.2	Confident	91 Å²	91	75.8 Å²	75.8	59%	0.591	39%	0.385	S	S	*	.	H	α-helix	trans	-58.1	-26.9	177.1	-25.6	34.5	0	0	0	114.3	E259 L260	P257-E259 PolarHBondContact O-N 3.08Å; P257-L260 PolarHBondContact O-N 2.97Å
258	Q	79.1	Confident	78.4	Confident	96 Å²	96	74.9 Å²	74.9	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-57.1	-35	173.7	-79.1	72.5	-0.1	0	0	111.9	E256 L260 R261	E256-Q258 PolarHBondContact O-N 3.43Å; E256-Q258 VanDerWaalsContact O-N 3.12Å; Q258-L260 PolarHBondContact O-N 3.09Å; Q258-R261 WeakPolarHBondContact O-CB 3.4Å; Q258-R261 PolarHBondContact O-N 3.17Å
259	E	78.7	Confident	79.2	Confident	40 Å²	40	71.9 Å²	71.9	19%	0.187	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-30.4	-173.9	-63.4	-174	97.7	0	0	112.4	R252 L254 T255 E256 P257 R261 N262 I263	R252-E259 IonicContact NH1-OE1 2.95Å; R252-E259 PolarHBondContact NH1-OE1 2.87Å; L254-E259 VanDerWaalsContact CA-OE2 3.3Å; L254-E259 WeakPolarHBondContact CA-OE2 3.43Å; L254-E259 HydrophobicContact CD2-CB 3.67Å; T255-E259 PolarHBondContact N-OE2 3.03Å; E256-E259 HydrophobicContact CB-CG 4.24Å; E256-E259 PolarHBondContact N-OE2 3.09Å; E256-E259 VanDerWaalsContact N-OE2 3.11Å; E256-E259 WeakPolarHBondContact O-CB 3.43Å; E256-E259 PolarHBondContact O-N 2.81Å; P257-E259 PolarHBondContact O-N 3.08Å; E259-R261 PolarHBondContact O-N 3.35Å; E259-N262 PolarHBondContact O-N 3.01Å; E259-N262 VanDerWaalsContact O-N 3.08Å; E259-I263 WeakPolarHBondContact O-CG1 3.42Å; E259-I263 PolarHBondContact O-N 2.94Å
260	L	76.1	Confident	80.4	Confident	82 Å²	82	67.5 Å²	67.5	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-59.5	-33.6	174	-73	169.3	0	0	0	112.4	L254 P257 Q258 N262 I263 I271	L254-L260 HydrophobicContact CD1-CD2 3.38Å; L254-L260 HydrophobicContact CD1-CG 3.98Å; P257-L260 PolarHBondContact O-N 2.97Å; Q258-L260 PolarHBondContact O-N 3.09Å; L260-N262 VanDerWaalsContact C-N 3.27Å; L260-N262 PolarHBondContact O-N 2.92Å; L260-I263 HydrophobicContact CD2-CD1 3.97Å; L260-I271 HydrophobicContact CD2-CD1 3.5Å; L260-I271 VanDerWaalsContact CD2-CD1 3.5Å; L260-I271 HydrophobicContact CD2-CG1 4.49Å
261	R	77.5	Confident	81.7	Confident	179 Å²	179	67.1 Å²	67.1	68%	0.675	33%	0.329	S	S	*	.	H	α-helix	trans	-75.2	-18.6	178.8	-66	-171	-76.7	-91.8	6.1	113	Q258 E259	Q258-R261 WeakPolarHBondContact O-CB 3.4Å; Q258-R261 PolarHBondContact O-N 3.17Å; E259-R261 PolarHBondContact O-N 3.35Å
262	N	77.5	Confident	82.7	Confident	130 Å²	130	66.3 Å²	66.3	70%	0.695	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.3	-179.8	-61.4	-19.4	0	0	0	112.3	E259 L260 R264	E259-N262 PolarHBondContact O-N 3.01Å; E259-N262 VanDerWaalsContact O-N 3.08Å; L260-N262 VanDerWaalsContact C-N 3.27Å; L260-N262 PolarHBondContact O-N 2.92Å; N262-R264 PolarHBondContact O-N 3.21Å
263	I	78.8	Confident	83.4	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.128	32%	0.319	C	S	.	.	S	Bend	trans	-70.3	130.4	174.3	-55.6	173.1	0	0	0	107.8	L254 E259 L260 V269	L254-I263 HydrophobicContact CD1-CD1 4.22Å; L254-I263 HydrophobicContact CD2-CD1 4.34Å; E259-I263 WeakPolarHBondContact O-CG1 3.42Å; E259-I263 PolarHBondContact O-N 2.94Å; L260-I263 HydrophobicContact CD2-CD1 3.97Å; I263-V269 HydrophobicContact CD1-CG1 4.2Å; I263-V269 HydrophobicContact CG2-CB 4.49Å; I263-V269 HydrophobicContact CG2-CG1 4.03Å; I263-V269 HydrophobicContact CG2-CG2 3.57Å
264	R	75	Confident	83.9	Confident	113 Å²	113	61.4 Å²	61.4	43%	0.426	31%	0.305	S	S	.	.			trans	-59.3	139.7	174.8	-60.8	167	53.6	-173.4	2.8	110	E245 N262 D266	E245-R264 IonicContact OE1-NH1 3.97Å; E245-R264 PolarHBondContact OE1-NH1 2.98Å; E245-R264 IonicContact OE2-NH1 3.43Å; E245-R264 PolarHBondContact OE2-NH1 2.78Å; N262-R264 PolarHBondContact O-N 3.21Å; R264-D266 WeakPolarHBondContact CB-OD1 3.38Å; R264-D266 IonicContact CZ-OD1 2.77Å; R264-D266 IonicContact CZ-OD2 2.81Å; R264-D266 IonicContact NE-OD1 3.22Å; R264-D266 PolarHBondContact NE-OD1 3.43Å; R264-D266 VanDerWaalsContact NE-OD1 3.12Å; R264-D266 IonicContact NE-OD2 2.57Å; R264-D266 PolarHBondContact NE-OD2 3.01Å; R264-D266 IonicContact NH2-OD1 2.87Å; R264-D266 IonicContact NH2-OD2 2.93Å; R264-D266 PolarHBondContact NH2-OD2 2.82Å
265	N	78.2	Confident	84.2	Confident	85 Å²	85	66.6 Å²	66.6	46%	0.455	33%	0.327	S	S	.	.	S	Bend	trans	-104.4	13.3	-177.6	66.8	-17.2	0	0	0	113.1	P314 E315	N265-P314 VanDerWaalsContact O-CA 3.3Å; N265-P314 WeakPolarHBondContact O-CA 3.35Å; N265-E315 HydrophobicContact CB-CB 4.45Å; N265-E315 PolarHBondContact ND2-OE2 2.81Å; N265-E315 PolarHBondContact O-N 3.26Å
266	D	80.5	Confident	84.6	Confident	72 Å²	72	65.8 Å²	65.8	39%	0.385	32%	0.315	S	S	.	.	S	Bend	trans	-91.5	-16.9	178.2	60.2	-19.3	0	0	0	113.2	R264 P314	R264-D266 WeakPolarHBondContact CB-OD1 3.38Å; R264-D266 IonicContact CZ-OD1 2.77Å; R264-D266 IonicContact CZ-OD2 2.81Å; R264-D266 IonicContact NE-OD1 3.22Å; R264-D266 PolarHBondContact NE-OD1 3.43Å; R264-D266 VanDerWaalsContact NE-OD1 3.12Å; R264-D266 IonicContact NE-OD2 2.57Å; R264-D266 PolarHBondContact NE-OD2 3.01Å; R264-D266 IonicContact NH2-OD1 2.87Å; R264-D266 IonicContact NH2-OD2 2.93Å; R264-D266 PolarHBondContact NH2-OD2 2.82Å; D266-P314 WeakPolarHBondContact O-CB 3.34Å
267	E	82.2	Confident	85	Confident	70 Å²	70	64.6 Å²	64.6	33%	0.327	31%	0.308	S	S	.	.	S	Bend	trans	-115	163.1	171	-64.1	-167.5	165.4	0	0	112.3	V269 I298	E267-V269 PolarHBondContact O-N 3.43Å; E267-I298 HydrophobicContact CB-CD1 3.97Å; E267-I298 HydrophobicContact CB-CG1 4.09Å; E267-I298 VanDerWaalsContact OE2-CG1 3.32Å; E267-I298 WeakPolarHBondContact OE2-CG1 3.38Å
268	T	89.6	Confident	85.7	Confident	12 Å²	12	69.6 Å²	69.6	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127	176.9	-62.6	0	0	0	0	109.4	V297 I298 V311 V312 P314	T268-V297 HydrophobicContact CG2-CG1 4.31Å; T268-V297 CarbonylContact O-C 3.57Å; T268-V297 VanDerWaalsContact O-CA 3.25Å; T268-V297 WeakPolarHBondContact O-CA 3.41Å; T268-I298 PolarHBondContact O-N 3.46Å; T268-V311 HydrophobicContact CG2-CG1 3.6Å; T268-V312 WeakPolarHBondContact CA-O 3.34Å; T268-P314 WeakPolarHBondContact OG1-CD 3.24Å
269	V	91.2	Very high	86.4	Confident	12 Å²	12	66.3 Å²	66.3	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.8	179.3	-175.5	0	0	0	0	109.9	I263 E267 I271 I298 V311 V312	I263-V269 HydrophobicContact CD1-CG1 4.2Å; I263-V269 HydrophobicContact CG2-CB 4.49Å; I263-V269 HydrophobicContact CG2-CG1 4.03Å; I263-V269 HydrophobicContact CG2-CG2 3.57Å; E267-V269 PolarHBondContact O-N 3.43Å; V269-I271 HydrophobicContact CG1-CD1 4.28Å; V269-I271 HydrophobicContact CG1-CG1 3.92Å; V269-I298 CarbonylContact C-O 3.55Å; V269-I298 WeakPolarHBondContact CA-O 3.48Å; V269-V311 CarbonylContact O-C 3.55Å; V269-V311 WeakPolarHBondContact O-CA 3.26Å; V269-V312 HydrophobicContact CB-CB 4.32Å; V269-V312 PolarHBondContact N-O 2.79Å; V269-V312 PolarHBondContact O-N 2.89Å
270	V	92.4	Very high	87.1	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.5	173.4	-173.9	0	0	0	0	108.9	F285 F292 V297 I298 D299 H300 I309 V310 V311 V342	V270-F285 HydrophobicContact CG1-CE2 3.91Å; V270-F285 HydrophobicContact CG1-CZ 4.13Å; V270-F292 HydrophobicContact CG1-CE2 3.95Å; V270-V297 HydrophobicContact CG2-CB 4.02Å; V270-V297 HydrophobicContact CG2-CG2 3.89Å; V270-I298 PolarHBondContact N-O 2.83Å; V270-D299 HydrophobicContact CB-CB 4.15Å; V270-D299 CarbonylContact O-C 3.59Å; V270-D299 WeakPolarHBondContact O-CA 3.45Å; V270-H300 PolarHBondContact O-N 2.91Å; V270-I309 HydrophobicContact CG1-CG2 4.14Å; V270-V310 CarbonylContact C-O 3.42Å; V270-V310 VanDerWaalsContact CA-O 3.31Å; V270-V310 WeakPolarHBondContact CA-O 3.25Å; V270-V311 HydrophobicContact CG2-CG2 4.34Å; V270-V342 HydrophobicContact CG1-CG2 3.82Å; V270-V342 HydrophobicContact CG2-CG1 3.72Å; V270-V342 HydrophobicContact CG2-CG2 4.36Å
271	I	92.8	Very high	88	Confident	19 Å²	19	63.9 Å²	63.9	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.5	179.6	-51.3	168	0	0	0	109.2	L254 L260 V269 I273 H300 I309 V310	L254-I271 HydrophobicContact CD1-CG2 4.47Å; L260-I271 HydrophobicContact CD2-CD1 3.5Å; L260-I271 VanDerWaalsContact CD2-CD1 3.5Å; L260-I271 HydrophobicContact CD2-CG1 4.49Å; V269-I271 HydrophobicContact CG1-CD1 4.28Å; V269-I271 HydrophobicContact CG1-CG1 3.92Å; I271-I273 HydrophobicContact CG2-CG1 3.89Å; I271-H300 WeakPolarHBondContact CA-O 3.4Å; I271-H300 HydrophobicContact CG1-CB 4.48Å; I271-I309 WeakPolarHBondContact O-CA 3.39Å; I271-V310 HydrophobicContact CB-CB 4.44Å; I271-V310 PolarHBondContact N-O 2.83Å; I271-V310 PolarHBondContact O-N 2.83Å
272	G	94.6	Very high	88.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	110	168.8	0	0	0	0	0	111	F274 H300 L301 A302	G272-F274 VanDerWaalsContact C-CE2 3.4Å; G272-F274 WeakPolarHBondContact O-CD2 3.37Å; G272-F274 WeakPolarHBondContact O-CE2 3.17Å; G272-H300 PolarHBondContact N-O 3.14Å; G272-L301 CarbonylContact O-C 3.54Å; G272-L301 WeakPolarHBondContact O-CA 3.31Å; G272-L301 WeakPolarHBondContact O-CB 3.37Å; G272-A302 PolarHBondContact O-N 3.28Å
273	I	94.3	Very high	89.4	Confident	29 Å²	29	54.7 Å²	54.7	15%	0.149	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.7	178.5	-55.1	175.5	0	0	0	108.3	I271 A302 A304 E306 N307 Q308 V310	I271-I273 HydrophobicContact CG2-CG1 3.89Å; I273-A302 WeakPolarHBondContact CA-O 3.39Å; I273-A304 HydrophobicContact CG2-CB 3.54Å; I273-E306 HydrophobicContact CG2-CG 4.1Å; I273-N307 CarbonylContact O-C 3.58Å; I273-N307 VanDerWaalsContact O-CA 3.31Å; I273-N307 WeakPolarHBondContact O-CA 3.32Å; I273-Q308 WeakPolarHBondContact CA-O 3.33Å; I273-Q308 HydrophobicContact CB-CB 4.32Å; I273-Q308 WeakPolarHBondContact CB-O 3.35Å; I273-Q308 PolarHBondContact N-O 2.64Å; I273-Q308 PolarHBondContact O-N 3.11Å; I273-V310 HydrophobicContact CD1-CG2 4.04Å
274	F	94.7	Very high	90.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.2	-171.6	-57.7	-62.2	0	0	0	113.7	G272 H276 L281 Y282 F285 L301 A302 L303 A304 E306 N307	G272-F274 VanDerWaalsContact C-CE2 3.4Å; G272-F274 WeakPolarHBondContact O-CD2 3.37Å; G272-F274 WeakPolarHBondContact O-CE2 3.17Å; F274-H276 PolarHBondContact O-N 2.94Å; F274-L281 HydrophobicContact CD1-CD2 4.09Å; F274-L281 HydrophobicContact CD1-CG 4.33Å; F274-L281 HydrophobicContact CE1-CD2 3.81Å; F274-L281 HydrophobicContact CE1-CG 3.78Å; F274-Y282 HydrophobicContact CB-CD2 4.15Å; F274-Y282 AromaticContact CD2-CD2 3.49Å; F274-Y282 HydrophobicContact CD2-CD2 3.49Å; F274-Y282 VanDerWaalsContact CD2-CD2 3.49Å; F274-Y282 HydrophobicContact CD2-CE2 4.14Å; F274-Y282 HydrophobicContact CD2-CG 4.45Å; F274-Y282 HydrophobicContact CE2-CD2 4.06Å; F274-Y282 AromaticContact CG-CD2 3.86Å; F274-Y282 HydrophobicContact CG-CD2 3.86Å; F274-F285 HydrophobicContact CE1-CB 4.28Å; F274-F285 HydrophobicContact CE2-CB 4.15Å; F274-F285 AromaticContact CE2-CD1 3.61Å; F274-F285 HydrophobicContact CE2-CD1 3.61Å; F274-F285 HydrophobicContact CE2-CE1 4.21Å; F274-F285 AromaticContact CE2-CG 3.97Å; F274-F285 HydrophobicContact CE2-CG 3.97Å; F274-F285 HydrophobicContact CZ-CB 3.44Å; F274-F285 VanDerWaalsContact CZ-CB 3.44Å; F274-F285 AromaticContact CZ-CD1 3.64Å; F274-F285 HydrophobicContact CZ-CD1 3.64Å; F274-F285 HydrophobicContact CZ-CD2 4.14Å; F274-F285 HydrophobicContact CZ-CE1 4.42Å; F274-F285 AromaticContact CZ-CG 3.48Å; F274-F285 HydrophobicContact CZ-CG 3.48Å; F274-F285 VanDerWaalsContact CZ-CG 3.48Å; F274-L301 HydrophobicContact CE2-CB 4.3Å; F274-A302 PolarHBondContact N-O 3.5Å; F274-L303 HydrophobicContact CB-CD2 4.16Å; F274-L303 CarbonylContact O-C 3.51Å; F274-L303 VanDerWaalsContact O-CA 3.22Å; F274-L303 WeakPolarHBondContact O-CA 3.38Å; F274-L303 WeakPolarHBondContact O-CD2 2.89Å; F274-A304 CarbonylContact C-O 3.47Å; F274-A304 PolarHBondContact O-N 3.46Å; F274-E306 CarbonylContact C-O 3.42Å; F274-E306 WeakPolarHBondContact CA-O 3.33Å; F274-N307 WeakPolarHBondContact CA-OD1 3.25Å
275	K	93.4	Very high	91.1	Very high	121 Å²	121	50.1 Å²	50.1	53%	0.526	25%	0.251	S	S	.	.	S	Bend	trans	-60.3	-42.9	171.6	-74	-177.4	171.2	-178.6	0	113.9	A304 D305 E306 N307	K275-A304 WeakPolarHBondContact CA-O 3.45Å; K275-D305 WeakPolarHBondContact CE-O 3.33Å; K275-E306 PolarHBondContact N-O 3.14Å; K275-N307 PolarHBondContact N-OD1 3.4Å
276	H	90.6	Very high	91.5	Very high	93 Å²	93	48.8 Å²	48.8	43%	0.431	24%	0.243	S	C	.	.			trans	-161.8	155.7	-179.2	46.7	72.1	0	0	0	110.9	F274 K278 Q279	F274-H276 PolarHBondContact O-N 2.94Å; H276-K278 PolarHBondContact CE1-O 3.49Å; H276-K278 PolarHBondContact ND1-O 2.98Å; H276-K278 VanDerWaalsContact ND1-O 3.1Å; H276-K278 PolarHBondContact O-N 3.42Å; H276-Q279 VanDerWaalsContact O-CG 3.3Å; H276-Q279 WeakPolarHBondContact O-CG 3.46Å
277	K	92.1	Very high	91.9	Very high	87 Å²	87	49.2 Å²	49.2	38%	0.378	24%	0.243	S	C	.	.	S	Bend	trans	-66.2	-19.4	179	-55.5	-170.9	-179.2	-172.1	0	113.8	E253 Q279 Y282 L303	E253-K277 VanDerWaalsContact OE1-CE 3.27Å; E253-K277 WeakPolarHBondContact OE1-CE 3.07Å; E253-K277 IonicContact OE1-NZ 3.78Å; E253-K277 PolarHBondContact OE1-NZ 3.16Å; E253-K277 IonicContact OE2-NZ 3.39Å; E253-K277 PolarHBondContact OE2-NZ 3.27Å; K277-Q279 PolarHBondContact O-N 3.06Å; K277-Y282 HydrophobicContact CB-CD1 4.32Å; K277-Y282 HydrophobicContact CB-CD2 4.47Å; K277-Y282 HydrophobicContact CB-CE1 4Å; K277-Y282 HydrophobicContact CB-CE2 4.17Å; K277-Y282 HydrophobicContact CG-CD2 4.47Å; K277-Y282 HydrophobicContact CG-CE1 4.36Å; K277-Y282 HydrophobicContact CG-CE2 3.83Å; K277-Y282 VanDerWaalsContact O-CD1 3.25Å; K277-Y282 WeakPolarHBondContact O-CD1 3.43Å; K277-L303 HydrophobicContact CG-CD1 4.32Å; K277-L303 HydrophobicContact CG-CD2 4.18Å
278	K	91	Very high	92.2	Very high	196 Å²	196	45.9 Å²	45.9	85%	0.852	23%	0.227	S	C	*	.	S	Bend	trans	-92.4	62.7	-178.9	-65.4	-175.5	178.9	-179.8	0	112.1	H276	H276-K278 PolarHBondContact CE1-O 3.49Å; H276-K278 PolarHBondContact ND1-O 2.98Å; H276-K278 VanDerWaalsContact ND1-O 3.1Å; H276-K278 PolarHBondContact O-N 3.42Å
279	Q	92.1	Very high	92	Very high	27 Å²	27	45.3 Å²	45.3	13%	0.126	22%	0.224	C	C	.	.	S	Bend	trans	-149.4	147.1	176	64.3	-171.3	13.1	0	0	111.6	H276 K277 L281 Y282 D283 N307	H276-Q279 VanDerWaalsContact O-CG 3.3Å; H276-Q279 WeakPolarHBondContact O-CG 3.46Å; K277-Q279 PolarHBondContact O-N 3.06Å; Q279-L281 VanDerWaalsContact C-N 3.26Å; Q279-L281 PolarHBondContact O-N 2.95Å; Q279-Y282 WeakPolarHBondContact O-CB 3.46Å; Q279-Y282 PolarHBondContact O-N 2.84Å; Q279-D283 PolarHBondContact O-N 2.87Å; Q279-N307 PolarHBondContact NE2-OD1 2.94Å; Q279-N307 PolarHBondContact OE1-ND2 3.33Å; Q279-N307 PolarHBondContact OE1-OD1 2.55Å
280	A	93.5	Very high	91.5	Very high	68 Å²	68	51.3 Å²	51.3	56%	0.562	25%	0.249	S	C	*	.	H	α-helix	trans	-56	-39.4	-177.4	0	0	0	0	0	112.9	Y282 D283 N284	A280-Y282 VanDerWaalsContact C-N 3.29Å; A280-Y282 PolarHBondContact O-N 3.39Å; A280-D283 PolarHBondContact O-N 2.8Å; A280-N284 WeakPolarHBondContact O-CB 3.1Å; A280-N284 PolarHBondContact O-N 3.29Å; A280-N284 PolarHBondContact O-ND2 2.6Å; A280-N284 PolarHBondContact O-OD1 3.4Å
281	L	95.2	Very high	90.9	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-37.9	177.5	-173.4	68.4	0	0	0	112.9	F274 Q279 F285 N307 I309 R330 A333 I338	F274-L281 HydrophobicContact CD1-CD2 4.09Å; F274-L281 HydrophobicContact CD1-CG 4.33Å; F274-L281 HydrophobicContact CE1-CD2 3.81Å; F274-L281 HydrophobicContact CE1-CG 3.78Å; Q279-L281 VanDerWaalsContact C-N 3.26Å; Q279-L281 PolarHBondContact O-N 2.95Å; L281-F285 WeakPolarHBondContact O-CB 3.21Å; L281-F285 PolarHBondContact O-N 2.91Å; L281-N307 HydrophobicContact CD2-CB 4Å; L281-I309 HydrophobicContact CD1-CD1 4.36Å; L281-R330 WeakPolarHBondContact CD1-O 3.18Å; L281-A333 HydrophobicContact CD1-CB 3.68Å; L281-I338 HydrophobicContact CD1-CD1 4.16Å
282	Y	93.6	Very high	90.3	Very high	24 Å²	24	51.7 Å²	51.7	9%	0.094	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-48.5	178.3	177.3	-86.6	0	0	0	110	F274 K277 Q279 A280 N284 F285 L286 L301	F274-Y282 HydrophobicContact CB-CD2 4.15Å; F274-Y282 AromaticContact CD2-CD2 3.49Å; F274-Y282 HydrophobicContact CD2-CD2 3.49Å; F274-Y282 VanDerWaalsContact CD2-CD2 3.49Å; F274-Y282 HydrophobicContact CD2-CE2 4.14Å; F274-Y282 HydrophobicContact CD2-CG 4.45Å; F274-Y282 HydrophobicContact CE2-CD2 4.06Å; F274-Y282 AromaticContact CG-CD2 3.86Å; F274-Y282 HydrophobicContact CG-CD2 3.86Å; K277-Y282 HydrophobicContact CB-CD1 4.32Å; K277-Y282 HydrophobicContact CB-CD2 4.47Å; K277-Y282 HydrophobicContact CB-CE1 4Å; K277-Y282 HydrophobicContact CB-CE2 4.17Å; K277-Y282 HydrophobicContact CG-CD2 4.47Å; K277-Y282 HydrophobicContact CG-CE1 4.36Å; K277-Y282 HydrophobicContact CG-CE2 3.83Å; K277-Y282 VanDerWaalsContact O-CD1 3.25Å; K277-Y282 WeakPolarHBondContact O-CD1 3.43Å; Q279-Y282 WeakPolarHBondContact O-CB 3.46Å; Q279-Y282 PolarHBondContact O-N 2.84Å; A280-Y282 VanDerWaalsContact C-N 3.29Å; A280-Y282 PolarHBondContact O-N 3.39Å; Y282-N284 PolarHBondContact O-N 3.09Å; Y282-F285 PolarHBondContact O-N 3.4Å; Y282-L286 HydrophobicContact CD1-CD1 3.99Å; Y282-L286 HydrophobicContact CD1-CG 4.24Å; Y282-L286 HydrophobicContact CE1-CD1 3.36Å; Y282-L286 HydrophobicContact CE1-CG 3.91Å; Y282-L286 WeakPolarHBondContact O-CG 3.5Å; Y282-L286 PolarHBondContact O-N 2.85Å; Y282-L301 HydrophobicContact CE2-CD1 4.32Å; Y282-L301 HydrophobicContact CE2-CD2 4.07Å
283	D	91.3	Very high	89	Confident	92 Å²	92	54 Å²	54	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-42.3	178	-63.6	-36.7	0	0	0	111.7	Q279 A280 F285 L286 E287	Q279-D283 PolarHBondContact O-N 2.87Å; A280-D283 PolarHBondContact O-N 2.8Å; D283-F285 VanDerWaalsContact C-N 3.33Å; D283-F285 PolarHBondContact O-N 3.48Å; D283-L286 PolarHBondContact O-N 2.87Å; D283-E287 PolarHBondContact O-N 3.29Å
284	N	94.8	Very high	87.7	Confident	41 Å²	41	56.3 Å²	56.3	22%	0.219	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-38.3	176.3	-69.5	-15.2	0	0	0	112	A280 Y282 E287 A288 A333 I338	A280-N284 WeakPolarHBondContact O-CB 3.1Å; A280-N284 PolarHBondContact O-N 3.29Å; A280-N284 PolarHBondContact O-ND2 2.6Å; A280-N284 PolarHBondContact O-OD1 3.4Å; Y282-N284 PolarHBondContact O-N 3.09Å; N284-E287 PolarHBondContact O-N 2.73Å; N284-A288 WeakPolarHBondContact O-CB 3.3Å; N284-A288 PolarHBondContact O-N 2.94Å; N284-A333 PolarHBondContact ND2-O 3.01Å; N284-I338 HydrophobicContact CB-CD1 3.85Å
285	F	94.2	Very high	86.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-43.7	174.5	-178.3	-102.6	0	0	0	111.7	I251 V270 F274 L281 Y282 D283 E287 A288 G289 F292 L301 I309 I338	I251-F285 HydrophobicContact CD1-CD1 3.68Å; I251-F285 HydrophobicContact CD1-CE1 3.6Å; I251-F285 HydrophobicContact CD1-CZ 4.46Å; I251-F285 HydrophobicContact CG1-CE1 4.1Å; I251-F285 HydrophobicContact CG2-CE1 3.91Å; V270-F285 HydrophobicContact CG1-CE2 3.91Å; V270-F285 HydrophobicContact CG1-CZ 4.13Å; F274-F285 HydrophobicContact CE1-CB 4.28Å; F274-F285 HydrophobicContact CE2-CB 4.15Å; F274-F285 AromaticContact CE2-CD1 3.61Å; F274-F285 HydrophobicContact CE2-CD1 3.61Å; F274-F285 HydrophobicContact CE2-CE1 4.21Å; F274-F285 AromaticContact CE2-CG 3.97Å; F274-F285 HydrophobicContact CE2-CG 3.97Å; F274-F285 HydrophobicContact CZ-CB 3.44Å; F274-F285 VanDerWaalsContact CZ-CB 3.44Å; F274-F285 AromaticContact CZ-CD1 3.64Å; F274-F285 HydrophobicContact CZ-CD1 3.64Å; F274-F285 HydrophobicContact CZ-CD2 4.14Å; F274-F285 HydrophobicContact CZ-CE1 4.42Å; F274-F285 AromaticContact CZ-CG 3.48Å; F274-F285 HydrophobicContact CZ-CG 3.48Å; F274-F285 VanDerWaalsContact CZ-CG 3.48Å; L281-F285 WeakPolarHBondContact O-CB 3.21Å; L281-F285 PolarHBondContact O-N 2.91Å; Y282-F285 PolarHBondContact O-N 3.4Å; D283-F285 VanDerWaalsContact C-N 3.33Å; D283-F285 PolarHBondContact O-N 3.48Å; F285-E287 PolarHBondContact O-N 3.48Å; F285-A288 PolarHBondContact O-N 3.41Å; F285-G289 PolarHBondContact O-N 3.26Å; F285-F292 AromaticContact CE2-CE2 3.89Å; F285-F292 HydrophobicContact CE2-CE2 3.89Å; F285-F292 HydrophobicContact CE2-CZ 4.33Å; F285-F292 HydrophobicContact CZ-CE2 4.24Å; F285-L301 HydrophobicContact CE1-CB 4.32Å; F285-I309 HydrophobicContact CD2-CD1 3.76Å; F285-I309 HydrophobicContact CD2-CG1 4Å; F285-I309 HydrophobicContact CD2-CG2 4.34Å; F285-I309 HydrophobicContact CE2-CD1 4.43Å; F285-I309 HydrophobicContact CE2-CG1 4.31Å; F285-I309 HydrophobicContact CE2-CG2 3.95Å; F285-I338 HydrophobicContact CB-CD1 4.18Å; F285-I338 HydrophobicContact CD2-CG2 4.04Å
286	L	88.2	Confident	85.5	Confident	57 Å²	57	54.8 Å²	54.8	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-37.6	173.8	-68.3	-169.9	0	0	0	112.1	I251 Y282 D283 L301	I251-L286 HydrophobicContact CB-CD2 4.44Å; I251-L286 HydrophobicContact CD1-CD2 3.55Å; Y282-L286 HydrophobicContact CD1-CD1 3.99Å; Y282-L286 HydrophobicContact CD1-CG 4.24Å; Y282-L286 HydrophobicContact CE1-CD1 3.36Å; Y282-L286 HydrophobicContact CE1-CG 3.91Å; Y282-L286 WeakPolarHBondContact O-CG 3.5Å; Y282-L286 PolarHBondContact O-N 2.85Å; D283-L286 PolarHBondContact O-N 2.87Å; L286-L301 HydrophobicContact CD2-CD2 3.89Å
287	E	87.1	Confident	84.9	Confident	82 Å²	82	51 Å²	51	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-71.9	-38.2	175.7	-157.9	-174.3	152.4	0	0	112.6	D283 N284 F285 K290 K335	D283-E287 PolarHBondContact O-N 3.29Å; N284-E287 PolarHBondContact O-N 2.73Å; F285-E287 PolarHBondContact O-N 3.48Å; E287-K290 WeakPolarHBondContact O-CB 3.38Å; E287-K290 PolarHBondContact O-N 2.82Å; E287-K335 HydrophobicContact CB-CD 4.32Å; E287-K335 HydrophobicContact CB-CG 4.36Å; E287-K335 HydrophobicContact CG-CD 3.87Å; E287-K335 HydrophobicContact CG-CG 4.44Å; E287-K335 WeakPolarHBondContact OE1-CD 3.37Å; E287-K335 WeakPolarHBondContact OE1-CE 3.41Å; E287-K335 IonicContact OE1-NZ 3.7Å; E287-K335 PolarHBondContact OE1-NZ 3.21Å
288	A	90	Very high	84.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.5	-41.6	175	0	0	0	0	0	111.8	N284 F285 K290 S291 F292 K335 I338 V339	N284-A288 WeakPolarHBondContact O-CB 3.3Å; N284-A288 PolarHBondContact O-N 2.94Å; F285-A288 PolarHBondContact O-N 3.41Å; A288-K290 PolarHBondContact O-N 3.42Å; A288-S291 WeakPolarHBondContact O-CA 3.44Å; A288-S291 VanDerWaalsContact O-CB 3.22Å; A288-S291 WeakPolarHBondContact O-CB 3.23Å; A288-S291 PolarHBondContact O-N 2.83Å; A288-S291 PolarHBondContact O-OG 2.83Å; A288-F292 HydrophobicContact CB-CE1 3.97Å; A288-F292 HydrophobicContact CB-CZ 3.84Å; A288-F292 WeakPolarHBondContact O-CD1 3.33Å; A288-F292 PolarHBondContact O-N 2.83Å; A288-K335 HydrophobicContact CB-CG 4.12Å; A288-I338 HydrophobicContact CB-CB 3.94Å; A288-I338 HydrophobicContact CB-CG2 3.53Å; A288-V339 HydrophobicContact CB-CG2 3.87Å
289	G	85.1	Confident	83.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.9	-31.2	177.3	0	0	0	0	0	114.3	F285 S291 F292 D299	F285-G289 PolarHBondContact O-N 3.26Å; G289-S291 PolarHBondContact O-N 2.89Å; G289-S291 VanDerWaalsContact O-N 3.09Å; G289-F292 VanDerWaalsContact CA-CD2 3.48Å; G289-F292 WeakPolarHBondContact O-CB 3.28Å; G289-F292 PolarHBondContact O-N 2.95Å; G289-D299 WeakPolarHBondContact CA-OD2 2.96Å
290	K	80.4	Confident	83.3	Confident	137 Å²	137	38.5 Å²	38.5	60%	0.596	21%	0.207	S	C	*	.	H	α-helix	trans	-59.1	-26	172.1	-61.9	172.4	-173.9	172.2	0	112.7	E287 A288	E287-K290 WeakPolarHBondContact O-CB 3.38Å; E287-K290 PolarHBondContact O-N 2.82Å; A288-K290 PolarHBondContact O-N 3.42Å
291	S	80.8	Confident	83.1	Confident	27 Å²	27	35.5 Å²	35.5	19%	0.189	18%	0.182	C	C	.	.	H	α-helix	trans	-91.2	-19.2	178.3	-47.2	0	0	0	0	113	A288 G289 N293 N294 Y295	A288-S291 WeakPolarHBondContact O-CA 3.44Å; A288-S291 VanDerWaalsContact O-CB 3.22Å; A288-S291 WeakPolarHBondContact O-CB 3.23Å; A288-S291 PolarHBondContact O-N 2.83Å; A288-S291 PolarHBondContact O-OG 2.83Å; G289-S291 PolarHBondContact O-N 2.89Å; G289-S291 VanDerWaalsContact O-N 3.09Å; S291-N293 VanDerWaalsContact C-N 3.29Å; S291-N293 PolarHBondContact O-N 2.86Å; S291-N294 WeakPolarHBondContact O-CB 3.48Å; S291-N294 PolarHBondContact O-N 2.89Å; S291-N294 VanDerWaalsContact O-N 3.14Å; S291-N294 PolarHBondContact O-ND2 3.47Å; S291-Y295 WeakPolarHBondContact O-CD2 3.43Å; S291-Y295 WeakPolarHBondContact O-CE2 3.42Å
292	F	80	Confident	82.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-28	-176.2	-69.7	-5.4	0	0	0	113.7	V270 F285 A288 G289 N294 Y295 V297 D299 I338 V339 V342	V270-F292 HydrophobicContact CG1-CE2 3.95Å; F285-F292 AromaticContact CE2-CE2 3.89Å; F285-F292 HydrophobicContact CE2-CE2 3.89Å; F285-F292 HydrophobicContact CE2-CZ 4.33Å; F285-F292 HydrophobicContact CZ-CE2 4.24Å; A288-F292 HydrophobicContact CB-CE1 3.97Å; A288-F292 HydrophobicContact CB-CZ 3.84Å; A288-F292 WeakPolarHBondContact O-CD1 3.33Å; A288-F292 PolarHBondContact O-N 2.83Å; G289-F292 VanDerWaalsContact CA-CD2 3.48Å; G289-F292 WeakPolarHBondContact O-CB 3.28Å; G289-F292 PolarHBondContact O-N 2.95Å; F292-N294 PolarHBondContact O-N 3.02Å; F292-Y295 PolarHBondContact O-N 2.6Å; F292-V297 HydrophobicContact CB-CG2 3.59Å; F292-V297 HydrophobicContact CD2-CG2 4.29Å; F292-V297 HydrophobicContact CG-CG2 4.05Å; F292-D299 HydrophobicContact CD2-CB 3.7Å; F292-D299 WeakPolarHBondContact CD2-OD2 3.49Å; F292-D299 HydrophobicContact CE2-CB 4.29Å; F292-I338 HydrophobicContact CE1-CG2 4.45Å; F292-I338 HydrophobicContact CZ-CG2 3.81Å; F292-V339 HydrophobicContact CE1-CG2 4.25Å; F292-V342 HydrophobicContact CD1-CG1 4.13Å; F292-V342 HydrophobicContact CE1-CB 3.91Å; F292-V342 HydrophobicContact CE1-CG1 3.89Å; F292-V342 HydrophobicContact CE1-CG2 3.94Å; F292-V342 HydrophobicContact CE2-CG2 4.29Å; F292-V342 HydrophobicContact CZ-CB 4.11Å; F292-V342 HydrophobicContact CZ-CG1 4.19Å; F292-V342 HydrophobicContact CZ-CG2 3.61Å
293	N	66.2	Low	82.5	Confident	48 Å²	48	39 Å²	39	26%	0.257	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-18.7	171.3	-61.9	-58.5	0	0	0	113.4	R223 S291 Y295	R223-N293 PolarHBondContact NH1-ND2 2.99Å; R223-N293 VanDerWaalsContact NH1-ND2 3.16Å; S291-N293 VanDerWaalsContact C-N 3.29Å; S291-N293 PolarHBondContact O-N 2.86Å; N293-Y295 VanDerWaalsContact C-N 3.32Å
294	N	68.4	Low	82.4	Confident	78 Å²	78	36.7 Å²	36.7	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.7	175.8	-59.6	-31.5	0	0	0	113.7	S291 F292	S291-N294 WeakPolarHBondContact O-CB 3.48Å; S291-N294 PolarHBondContact O-N 2.89Å; S291-N294 VanDerWaalsContact O-N 3.14Å; S291-N294 PolarHBondContact O-ND2 3.47Å; F292-N294 PolarHBondContact O-N 3.02Å
295	Y	70.7	Confident	82	Confident	41 Å²	41	42.4 Å²	42.4	16%	0.161	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	16.9	-162.2	-55.7	-52.4	0	0	0	115.5	S291 F292 N293 V297 V339 T343 W360	S291-Y295 WeakPolarHBondContact O-CD2 3.43Å; S291-Y295 WeakPolarHBondContact O-CE2 3.42Å; F292-Y295 PolarHBondContact O-N 2.6Å; N293-Y295 VanDerWaalsContact C-N 3.32Å; Y295-V297 VanDerWaalsContact C-N 3.27Å; Y295-V297 WeakPolarHBondContact O-CG1 3.3Å; Y295-V297 PolarHBondContact O-N 3.16Å; Y295-V339 HydrophobicContact CE2-CG1 4.18Å; Y295-T343 HydrophobicContact CD1-CG2 4.07Å; Y295-T343 HydrophobicContact CD2-CG2 3.7Å; Y295-T343 HydrophobicContact CE1-CG2 3.98Å; Y295-T343 HydrophobicContact CE2-CG2 3.62Å; Y295-T343 HydrophobicContact CG-CG2 3.95Å; Y295-W360 HydrophobicContact CD1-CB 3.88Å; Y295-W360 AromaticContact CD1-CD2 3.6Å; Y295-W360 HydrophobicContact CD1-CD2 3.6Å; Y295-W360 AromaticContact CD1-CE3 3.59Å; Y295-W360 HydrophobicContact CD1-CE3 3.59Å; Y295-W360 AromaticContact CD1-CG 3.74Å; Y295-W360 HydrophobicContact CD1-CG 3.74Å; Y295-W360 HydrophobicContact CD1-CZ3 4.35Å; Y295-W360 HydrophobicContact CE1-CB 3.93Å; Y295-W360 HydrophobicContact CE1-CD2 4.45Å; Y295-W360 HydrophobicContact CE1-CE3 4.33Å; Y295-W360 HydrophobicContact CE1-CG 4.31Å; Y295-W360 HydrophobicContact CG-CD2 4.43Å; Y295-W360 HydrophobicContact CG-CE3 4.27Å; Y295-W360 WeakPolarHBondContact O-CH2 3.43Å; Y295-W360 WeakPolarHBondContact O-CZ2 3.13Å
296	S	71.2	Confident	81.8	Confident	49 Å²	49	47.2 Å²	47.2	34%	0.343	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	48.1	-180	-49.4	0	0	0	0	112.6
297	V	76.2	Confident	82.1	Confident	13 Å²	13	46.4 Å²	46.4	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.3	177.1	-40.7	0	0	0	0	109.4	T268 V270 F292 Y295	T268-V297 HydrophobicContact CG2-CG1 4.31Å; T268-V297 CarbonylContact O-C 3.57Å; T268-V297 VanDerWaalsContact O-CA 3.25Å; T268-V297 WeakPolarHBondContact O-CA 3.41Å; V270-V297 HydrophobicContact CG2-CB 4.02Å; V270-V297 HydrophobicContact CG2-CG2 3.89Å; F292-V297 HydrophobicContact CB-CG2 3.59Å; F292-V297 HydrophobicContact CD2-CG2 4.29Å; F292-V297 HydrophobicContact CG-CG2 4.05Å; Y295-V297 VanDerWaalsContact C-N 3.27Å; Y295-V297 WeakPolarHBondContact O-CG1 3.3Å; Y295-V297 PolarHBondContact O-N 3.16Å
298	I	76.5	Confident	82.5	Confident	30 Å²	30	43.8 Å²	43.8	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.9	172.2	-51.5	177.2	0	0	0	108.5	E267 T268 V269 V270 H300	E267-I298 HydrophobicContact CB-CD1 3.97Å; E267-I298 HydrophobicContact CB-CG1 4.09Å; E267-I298 VanDerWaalsContact OE2-CG1 3.32Å; E267-I298 WeakPolarHBondContact OE2-CG1 3.38Å; T268-I298 PolarHBondContact O-N 3.46Å; V269-I298 CarbonylContact C-O 3.55Å; V269-I298 WeakPolarHBondContact CA-O 3.48Å; V270-I298 PolarHBondContact N-O 2.83Å; I298-H300 WeakPolarHBondContact CG2-CE1 3.3Å
299	D	80.2	Confident	82.8	Confident	9 Å²	9	43.9 Å²	43.9	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.7	-177.5	50.5	-38.7	0	0	0	114.7	A250 I251 R252 V270 G289 F292	A250-D299 VanDerWaalsContact O-OD2 3.11Å; I251-D299 WeakPolarHBondContact CA-O 3.44Å; I251-D299 HydrophobicContact CG1-CB 4.16Å; I251-D299 WeakPolarHBondContact CG1-OD2 3.48Å; R252-D299 PolarHBondContact N-O 2.93Å; V270-D299 HydrophobicContact CB-CB 4.15Å; V270-D299 CarbonylContact O-C 3.59Å; V270-D299 WeakPolarHBondContact O-CA 3.45Å; G289-D299 WeakPolarHBondContact CA-OD2 2.96Å; F292-D299 HydrophobicContact CD2-CB 3.7Å; F292-D299 WeakPolarHBondContact CD2-OD2 3.49Å; F292-D299 HydrophobicContact CE2-CB 4.29Å
300	H	85.5	Confident	83.3	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	160.3	-179.6	-68.4	86.3	0	0	0	110.2	I251 R252 L254 V270 I271 G272 I298	I251-H300 VanDerWaalsContact CG2-C 3.4Å; R252-H300 PolarHBondContact NE-CD2 3.38Å; R252-H300 VanDerWaalsContact NE-CD2 3.3Å; R252-H300 PolarHBondContact NE-NE2 2.66Å; R252-H300 PolarHBondContact NH2-CD2 3.49Å; R252-H300 PolarHBondContact NH2-NE2 2.89Å; R252-H300 CarbonylContact O-C 3.5Å; R252-H300 WeakPolarHBondContact O-CA 3.4Å; L254-H300 HydrophobicContact CD1-CB 3.72Å; L254-H300 HydrophobicContact CD2-CB 4.49Å; L254-H300 VanDerWaalsContact CD2-CD2 3.43Å; L254-H300 WeakPolarHBondContact CD2-CD2 3.08Å; L254-H300 HydrophobicContact CG-CB 3.92Å; V270-H300 PolarHBondContact O-N 2.91Å; I271-H300 WeakPolarHBondContact CA-O 3.4Å; I271-H300 HydrophobicContact CG1-CB 4.48Å; G272-H300 PolarHBondContact N-O 3.14Å; I298-H300 WeakPolarHBondContact CG2-CE1 3.3Å
301	L	89.4	Confident	84	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.7	167.9	70.3	86.4	0	0	0	110.9	I251 R252 E253 L254 G272 F274 Y282 F285 L286	I251-L301 HydrophobicContact CB-CD2 4.41Å; I251-L301 HydrophobicContact CG2-CB 3.65Å; I251-L301 HydrophobicContact CG2-CD2 3.61Å; I251-L301 HydrophobicContact CG2-CG 3.77Å; R252-L301 PolarHBondContact O-N 3.27Å; E253-L301 CarbonylContact C-O 3.54Å; E253-L301 WeakPolarHBondContact CA-O 3.39Å; E253-L301 HydrophobicContact CB-CD1 3.63Å; E253-L301 HydrophobicContact CB-CG 4.01Å; E253-L301 HydrophobicContact CG-CD1 3.5Å; E253-L301 HydrophobicContact CG-CG 4.41Å; L254-L301 PolarHBondContact N-O 3.02Å; G272-L301 CarbonylContact O-C 3.54Å; G272-L301 WeakPolarHBondContact O-CA 3.31Å; G272-L301 WeakPolarHBondContact O-CB 3.37Å; F274-L301 HydrophobicContact CE2-CB 4.3Å; Y282-L301 HydrophobicContact CE2-CD1 4.32Å; Y282-L301 HydrophobicContact CE2-CD2 4.07Å; F285-L301 HydrophobicContact CE1-CB 4.32Å; L286-L301 HydrophobicContact CD2-CD2 3.89Å
302	A	88.1	Confident	84.6	Confident	22 Å²	22	38 Å²	38	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.6	172.6	0	0	0	0	0	109.8	L254 G272 I273 F274	L254-A302 HydrophobicContact CB-CB 4.33Å; G272-A302 PolarHBondContact O-N 3.28Å; I273-A302 WeakPolarHBondContact CA-O 3.39Å; F274-A302 PolarHBondContact N-O 3.5Å
303	L	88.3	Confident	85.3	Confident	80 Å²	80	38.1 Å²	38.1	42%	0.419	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.7	169.2	-64.5	-179.1	0	0	0	110.3	F274 K277	F274-L303 HydrophobicContact CB-CD2 4.16Å; F274-L303 CarbonylContact O-C 3.51Å; F274-L303 VanDerWaalsContact O-CA 3.22Å; F274-L303 WeakPolarHBondContact O-CA 3.38Å; F274-L303 WeakPolarHBondContact O-CD2 2.89Å; K277-L303 HydrophobicContact CG-CD1 4.32Å; K277-L303 HydrophobicContact CG-CD2 4.18Å
304	A	88.8	Confident	86.5	Confident	43 Å²	43	36.1 Å²	36.1	36%	0.355	20%	0.2	S	C	.	.			trans	-152	177.6	179.1	0	0	0	0	0	110.8	I273 F274 K275 E306	I273-A304 HydrophobicContact CG2-CB 3.54Å; F274-A304 CarbonylContact C-O 3.47Å; F274-A304 PolarHBondContact O-N 3.46Å; K275-A304 WeakPolarHBondContact CA-O 3.45Å; A304-E306 PolarHBondContact O-N 3.23Å
305	D	87	Confident	87.5	Confident	161 Å²	161	37.3 Å²	37.3	86%	0.861	20%	0.203	S	C	*	.	S	Bend	trans	-75.2	11.5	-179.1	-66.8	-36.4	0	0	0	114.5	K275	K275-D305 WeakPolarHBondContact CE-O 3.33Å
306	E	90.3	Very high	88.4	Confident	101 Å²	101	38.7 Å²	38.7	47%	0.472	21%	0.213	S	C	.	.	S	Bend	trans	-140.1	166.2	-176.7	65.1	-176.9	-175.5	0	0	113.1	I273 F274 K275 A304	I273-E306 HydrophobicContact CG2-CG 4.1Å; F274-E306 CarbonylContact C-O 3.42Å; F274-E306 WeakPolarHBondContact CA-O 3.33Å; K275-E306 PolarHBondContact N-O 3.14Å; A304-E306 PolarHBondContact O-N 3.23Å
307	N	93.8	Very high	89.4	Confident	40 Å²	40	37.8 Å²	37.8	21%	0.214	20%	0.204	C	C	.	.			trans	-118.1	110	176.6	-75.4	-26.9	0	0	0	108.8	I273 F274 K275 Q279 L281 N329	I273-N307 CarbonylContact O-C 3.58Å; I273-N307 VanDerWaalsContact O-CA 3.31Å; I273-N307 WeakPolarHBondContact O-CA 3.32Å; F274-N307 WeakPolarHBondContact CA-OD1 3.25Å; K275-N307 PolarHBondContact N-OD1 3.4Å; Q279-N307 PolarHBondContact NE2-OD1 2.94Å; Q279-N307 PolarHBondContact OE1-ND2 3.33Å; Q279-N307 PolarHBondContact OE1-OD1 2.55Å; L281-N307 HydrophobicContact CD2-CB 4Å; N307-N329 PolarHBondContact O-OD1 3.22Å
308	Q	95.3	Very high	90.2	Very high	28 Å²	28	38.5 Å²	38.5	13%	0.131	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.2	-176.5	179.7	162.5	-63.6	0	0	110.1	I273 V310 S327 M328 N329	I273-Q308 WeakPolarHBondContact CA-O 3.33Å; I273-Q308 HydrophobicContact CB-CB 4.32Å; I273-Q308 WeakPolarHBondContact CB-O 3.35Å; I273-Q308 PolarHBondContact N-O 2.64Å; I273-Q308 PolarHBondContact O-N 3.11Å; Q308-V310 HydrophobicContact CG-CG2 3.68Å; Q308-S327 PolarHBondContact NE2-OG 3.14Å; Q308-M328 WeakPolarHBondContact CA-O 3.43Å; Q308-N329 WeakPolarHBondContact CA-OD1 3.31Å; Q308-N329 WeakPolarHBondContact CB-OD1 3.16Å; Q308-N329 VanDerWaalsContact CD-OD1 3.28Å; Q308-N329 WeakPolarHBondContact CG-OD1 3.35Å; Q308-N329 PolarHBondContact OE1-ND2 3.34Å; Q308-N329 PolarHBondContact OE1-OD1 3.12Å
309	I	96.2	Very high	91.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.3	166	-62.5	166.8	0	0	0	107.3	V270 I271 L281 F285 S327 M328 I338 F341 V342	V270-I309 HydrophobicContact CG1-CG2 4.14Å; I271-I309 WeakPolarHBondContact O-CA 3.39Å; L281-I309 HydrophobicContact CD1-CD1 4.36Å; F285-I309 HydrophobicContact CD2-CD1 3.76Å; F285-I309 HydrophobicContact CD2-CG1 4Å; F285-I309 HydrophobicContact CD2-CG2 4.34Å; F285-I309 HydrophobicContact CE2-CD1 4.43Å; F285-I309 HydrophobicContact CE2-CG1 4.31Å; F285-I309 HydrophobicContact CE2-CG2 3.95Å; I309-S327 CarbonylContact O-C 3.46Å; I309-S327 VanDerWaalsContact O-CA 3.3Å; I309-S327 WeakPolarHBondContact O-CA 3.41Å; I309-M328 HydrophobicContact CB-CE 4.5Å; I309-M328 HydrophobicContact CD1-CE 3.74Å; I309-M328 PolarHBondContact N-O 2.86Å; I309-M328 PolarHBondContact O-N 3.45Å; I309-I338 HydrophobicContact CD1-CB 4.4Å; I309-I338 HydrophobicContact CD1-CD1 3.81Å; I309-I338 HydrophobicContact CD1-CG1 3.62Å; I309-I338 HydrophobicContact CD1-CG2 3.97Å; I309-F341 HydrophobicContact CB-CE1 4.28Å; I309-F341 HydrophobicContact CG2-CD1 4.14Å; I309-F341 HydrophobicContact CG2-CE1 3.94Å; I309-F341 WeakPolarHBondContact O-CE1 2.92Å; I309-V342 HydrophobicContact CG2-CG2 4.42Å
310	V	95.4	Very high	91.9	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.1	-177.2	-170	0	0	0	0	109.4	V270 I271 I273 Q308 V312 Q325 K326	V270-V310 CarbonylContact C-O 3.42Å; V270-V310 VanDerWaalsContact CA-O 3.31Å; V270-V310 WeakPolarHBondContact CA-O 3.25Å; I271-V310 HydrophobicContact CB-CB 4.44Å; I271-V310 PolarHBondContact N-O 2.83Å; I271-V310 PolarHBondContact O-N 2.83Å; I273-V310 HydrophobicContact CD1-CG2 4.04Å; Q308-V310 HydrophobicContact CG-CG2 3.68Å; V310-V312 HydrophobicContact CG1-CG2 3.94Å; V310-Q325 HydrophobicContact CG1-CB 4.17Å; V310-K326 CarbonylContact C-O 3.51Å; V310-K326 WeakPolarHBondContact CA-O 3.44Å
311	V	95.4	Very high	92.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	167.5	178.4	0	0	0	0	107.6	T268 V269 V270 Q325 K326 F341 V342	T268-V311 HydrophobicContact CG2-CG1 3.6Å; V269-V311 CarbonylContact O-C 3.55Å; V269-V311 WeakPolarHBondContact O-CA 3.26Å; V270-V311 HydrophobicContact CG2-CG2 4.34Å; V311-Q325 CarbonylContact O-C 3.41Å; V311-Q325 WeakPolarHBondContact O-CA 3.44Å; V311-K326 PolarHBondContact N-O 2.8Å; V311-K326 PolarHBondContact O-N 2.87Å; V311-F341 HydrophobicContact CG2-CD1 4.4Å; V311-F341 HydrophobicContact CG2-CE1 3.79Å; V311-F341 HydrophobicContact CG2-CZ 4.25Å; V311-V342 HydrophobicContact CG2-CB 4.48Å; V311-V342 HydrophobicContact CG2-CG2 4.08Å
312	V	94.6	Very high	92.6	Very high	30 Å²	30	48.7 Å²	48.7	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.8	177.5	-172.2	0	0	0	0	107.9	T268 V269 V310 K324 Q325	T268-V312 WeakPolarHBondContact CA-O 3.34Å; V269-V312 HydrophobicContact CB-CB 4.32Å; V269-V312 PolarHBondContact N-O 2.79Å; V269-V312 PolarHBondContact O-N 2.89Å; V310-V312 HydrophobicContact CG1-CG2 3.94Å; V312-K324 WeakPolarHBondContact CA-O 3.44Å; V312-K324 HydrophobicContact CG1-CD 4.49Å; V312-K324 HydrophobicContact CG1-CG 4.09Å; V312-Q325 HydrophobicContact CG2-CB 4.19Å
313	L	94.3	Very high	93	Very high	3 Å²	3	52 Å²	52	2%	0.016	27%	0.268	C	S	.	.			trans	-73.2	153.2	178.9	-67.2	175.9	0	0	0	111.3	E315 K324 S345 P348	L313-E315 PolarHBondContact O-N 3.47Å; L313-K324 PolarHBondContact N-O 3.21Å; L313-S345 WeakPolarHBondContact CD2-O 3.13Å; L313-P348 HydrophobicContact CD1-CB 4.24Å; L313-P348 HydrophobicContact CD2-CG 4.18Å
314	P	91.2	Very high	93.3	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.039	27%	0.265	C	S	.	.			trans	-55.6	139.9	171.4	-23	32.4	0	0	0	110.9	N265 D266 T268 L316 L317 T318	N265-P314 VanDerWaalsContact O-CA 3.3Å; N265-P314 WeakPolarHBondContact O-CA 3.35Å; D266-P314 WeakPolarHBondContact O-CB 3.34Å; T268-P314 WeakPolarHBondContact OG1-CD 3.24Å; P314-L316 VanDerWaalsContact C-N 3.34Å; P314-L316 PolarHBondContact O-N 2.85Å; P314-L317 HydrophobicContact CB-CB 4.11Å; P314-L317 HydrophobicContact CB-CD1 4.31Å; P314-L317 HydrophobicContact CB-CG 4.08Å; P314-L317 HydrophobicContact CG-CB 4.44Å; P314-L317 HydrophobicContact CG-CD1 4.07Å; P314-L317 HydrophobicContact CG-CG 4.37Å; P314-L317 CarbonylContact O-C 3.53Å; P314-L317 PolarHBondContact O-N 3.23Å; P314-T318 PolarHBondContact O-N 3.04Å; P314-T318 VanDerWaalsContact O-N 3.09Å; P314-T318 PolarHBondContact O-OG1 2.83Å
315	E	89.3	Confident	93.6	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-63.2	-43.5	-176.5	-172.4	158.8	163.7	0	0	111.8	N265 L313 L317 T318 K324	N265-E315 HydrophobicContact CB-CB 4.45Å; N265-E315 PolarHBondContact ND2-OE2 2.81Å; N265-E315 PolarHBondContact O-N 3.26Å; L313-E315 PolarHBondContact O-N 3.47Å; E315-L317 PolarHBondContact O-N 3.31Å; E315-L317 VanDerWaalsContact O-N 3.16Å; E315-T318 PolarHBondContact O-N 3.48Å; E315-K324 IonicContact OE2-NZ 3.65Å; E315-K324 PolarHBondContact OE2-NZ 2.81Å
316	L	89.6	Confident	94	Very high	70 Å²	70	50.4 Å²	50.4	37%	0.366	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-64	-18.4	176.8	-64.6	178.1	0	0	0	113.5	P314 F378 V383 R390	P314-L316 VanDerWaalsContact C-N 3.34Å; P314-L316 PolarHBondContact O-N 2.85Å; L316-F378 HydrophobicContact CB-CD1 4.19Å; L316-V383 HydrophobicContact CD2-CG1 3.88Å; L316-V383 HydrophobicContact CD2-CG2 4.43Å; L316-R390 PolarHBondContact O-NH1 2.74Å
317	L	92.3	Very high	94.3	Very high	29 Å²	29	48 Å²	48	15%	0.152	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-105.3	-1	179.3	-59.1	-172	0	0	0	113.6	P314 E315 P348 H352 F378 R390	P314-L317 HydrophobicContact CB-CB 4.11Å; P314-L317 HydrophobicContact CB-CD1 4.31Å; P314-L317 HydrophobicContact CB-CG 4.08Å; P314-L317 HydrophobicContact CG-CB 4.44Å; P314-L317 HydrophobicContact CG-CD1 4.07Å; P314-L317 HydrophobicContact CG-CG 4.37Å; P314-L317 CarbonylContact O-C 3.53Å; P314-L317 PolarHBondContact O-N 3.23Å; E315-L317 PolarHBondContact O-N 3.31Å; E315-L317 VanDerWaalsContact O-N 3.16Å; L317-P348 HydrophobicContact CB-CB 4.29Å; L317-P348 HydrophobicContact CB-CG 3.78Å; L317-P348 HydrophobicContact CD1-CG 4.11Å; L317-P348 WeakPolarHBondContact O-CB 3.28Å; L317-H352 HydrophobicContact CD1-CB 4.29Å; L317-H352 HydrophobicContact CD2-CB 3.89Å; L317-F378 HydrophobicContact CD2-CE1 3.72Å; L317-F378 HydrophobicContact CD2-CE2 4.01Å; L317-F378 HydrophobicContact CD2-CZ 3.41Å; L317-F378 VanDerWaalsContact CD2-CZ 3.41Å; L317-R390 PolarHBondContact O-NH2 3.23Å
318	T	93.9	Very high	94.5	Very high	29 Å²	29	47.3 Å²	47.3	18%	0.178	23%	0.234	C	C	.	.			trans	-86	148	175.5	-53.8	0	0	0	0	110	P314 E315 E322 K324	P314-T318 PolarHBondContact O-N 3.04Å; P314-T318 VanDerWaalsContact O-N 3.09Å; P314-T318 PolarHBondContact O-OG1 2.83Å; E315-T318 PolarHBondContact O-N 3.48Å; T318-E322 HydrophobicContact CG2-CG 4.12Å; T318-K324 HydrophobicContact CG2-CB 3.99Å; T318-K324 HydrophobicContact CG2-CG 4.4Å
319	T	95.2	Very high	94.5	Very high	6 Å²	6	51 Å²	51	4%	0.037	26%	0.255	C	S	.	.			trans	-121.1	164.2	173	67.9	0	0	0	0	110.8	Y321 E322 E391 A394	T319-Y321 PolarHBondContact O-N 3.16Å; T319-E322 PolarHBondContact N-OE1 2.9Å; T319-E322 PolarHBondContact O-N 3.3Å; T319-E322 PolarHBondContact OG1-OE1 2.93Å; T319-E391 VanDerWaalsContact CA-OE1 3.32Å; T319-E391 WeakPolarHBondContact CA-OE1 3.33Å; T319-E391 WeakPolarHBondContact CB-OE1 3.31Å; T319-A394 HydrophobicContact CG2-CB 3.76Å
320	K	95.3	Very high	94.2	Very high	150 Å²	150	55.2 Å²	55.2	65%	0.652	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.6	176.9	76	-166.5	172.7	-166	0	114.5	E391	K320-E391 VanDerWaalsContact CD-OE2 3.32Å; K320-E391 WeakPolarHBondContact CD-OE2 3.46Å; K320-E391 WeakPolarHBondContact CE-OE2 3.45Å; K320-E391 WeakPolarHBondContact CG-OE2 3.48Å; K320-E391 PolarHBondContact N-OE1 3.18Å; K320-E391 IonicContact NZ-OE2 3.63Å
321	Y	96.4	Very high	93.9	Very high	74 Å²	74	57.1 Å²	57.1	29%	0.29	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1	-178.2	-57	-73.7	0	0	0	113.3	T319 E391 A394 A395 K398	T319-Y321 PolarHBondContact O-N 3.16Å; Y321-E391 WeakPolarHBondContact CE2-O 3.39Å; Y321-E391 WeakPolarHBondContact CE2-OE2 3.26Å; Y321-A394 HydrophobicContact CD2-CB 3.65Å; Y321-A394 HydrophobicContact CE2-CB 4.26Å; Y321-A395 HydrophobicContact CE1-CB 4.46Å; Y321-A395 HydrophobicContact CE2-CB 3.89Å; Y321-K398 HydrophobicContact CD1-CD 3.54Å; Y321-K398 HydrophobicContact CE1-CD 4.05Å; Y321-K398 HydrophobicContact CG-CD 4.1Å
322	E	95	Very high	93.8	Very high	35 Å²	35	62.7 Å²	62.7	16%	0.164	32%	0.323	C	S	.	.	S	Bend	trans	-138.6	165.2	178.5	71	-171	127.2	0	0	112.1	T318 T319 L349	T318-E322 HydrophobicContact CG2-CG 4.12Å; T319-E322 PolarHBondContact N-OE1 2.9Å; T319-E322 PolarHBondContact O-N 3.3Å; T319-E322 PolarHBondContact OG1-OE1 2.93Å; E322-L349 HydrophobicContact CB-CB 4.31Å; E322-L349 VanDerWaalsContact CD-CB 3.44Å; E322-L349 VanDerWaalsContact CD-N 3.31Å; E322-L349 HydrophobicContact CG-CB 4.36Å; E322-L349 VanDerWaalsContact OE1-CB 3.27Å; E322-L349 WeakPolarHBondContact OE1-CB 3.38Å; E322-L349 PolarHBondContact OE1-N 2.82Å; E322-L349 VanDerWaalsContact OE1-N 3.15Å; E322-L349 WeakPolarHBondContact OE2-CB 3.45Å; E322-L349 PolarHBondContact OE2-N 3.3Å
323	T	95.2	Very high	93.9	Very high	91 Å²	91	61.3 Å²	61.3	56%	0.558	31%	0.314	S	S	*	.			trans	-85.1	133	173.1	57.7	0	0	0	0	110.1	Q325	T323-Q325 WeakPolarHBondContact CB-O 3.38Å; T323-Q325 PolarHBondContact O-N 3.41Å; T323-Q325 VanDerWaalsContact O-N 3.16Å; T323-Q325 PolarHBondContact OG1-O 3.36Å
324	K	94.1	Very high	94.1	Very high	79 Å²	79	62.7 Å²	62.7	34%	0.343	32%	0.324	S	S	.	.	S	Bend	trans	-58.2	-27.6	175.1	-173	174.3	-178.7	174.6	0	112.6	V312 L313 E315 T318	V312-K324 WeakPolarHBondContact CA-O 3.44Å; V312-K324 HydrophobicContact CG1-CD 4.49Å; V312-K324 HydrophobicContact CG1-CG 4.09Å; L313-K324 PolarHBondContact N-O 3.21Å; E315-K324 IonicContact OE2-NZ 3.65Å; E315-K324 PolarHBondContact OE2-NZ 2.81Å; T318-K324 HydrophobicContact CG2-CB 3.99Å; T318-K324 HydrophobicContact CG2-CG 4.4Å
325	Q	95.1	Very high	94.2	Very high	111 Å²	111	64.8 Å²	64.8	52%	0.519	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.8	179.1	70.1	-176.6	44.9	0	0	112.1	V310 V311 V312 T323	V310-Q325 HydrophobicContact CG1-CB 4.17Å; V311-Q325 CarbonylContact O-C 3.41Å; V311-Q325 WeakPolarHBondContact O-CA 3.44Å; V312-Q325 HydrophobicContact CG2-CB 4.19Å; T323-Q325 WeakPolarHBondContact CB-O 3.38Å; T323-Q325 PolarHBondContact O-N 3.41Å; T323-Q325 VanDerWaalsContact O-N 3.16Å; T323-Q325 PolarHBondContact OG1-O 3.36Å
326	K	96.8	Very high	94.4	Very high	61 Å²	61	65.9 Å²	65.9	27%	0.265	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.8	172.2	-64.8	168.2	-171.6	160.6	0	107.9	V310 V311 F341 S345	V310-K326 CarbonylContact C-O 3.51Å; V310-K326 WeakPolarHBondContact CA-O 3.44Å; V311-K326 PolarHBondContact N-O 2.8Å; V311-K326 PolarHBondContact O-N 2.87Å; K326-F341 HydrophobicContact CB-CZ 4.44Å; K326-S345 PolarHBondContact NZ-O 3.34Å
327	S	97	Very high	94.8	Very high	51 Å²	51	65 Å²	65	36%	0.357	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.3	-176.5	-61.4	0	0	0	0	111.8	Q308 I309	Q308-S327 PolarHBondContact NE2-OG 3.14Å; I309-S327 CarbonylContact O-C 3.46Å; I309-S327 VanDerWaalsContact O-CA 3.3Å; I309-S327 WeakPolarHBondContact O-CA 3.41Å
328	M	96.8	Very high	95	Very high	25 Å²	25	63.7 Å²	63.7	12%	0.123	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.9	169.7	179.2	174.3	67.6	0	0	109.9	Q308 I309 R330 A333 I338 F341	Q308-M328 WeakPolarHBondContact CA-O 3.43Å; I309-M328 HydrophobicContact CB-CE 4.5Å; I309-M328 HydrophobicContact CD1-CE 3.74Å; I309-M328 PolarHBondContact N-O 2.86Å; I309-M328 PolarHBondContact O-N 3.45Å; M328-R330 HydrophobicContact CG-CB 3.87Å; M328-R330 HydrophobicContact SD-CB 4.26Å; M328-A333 HydrophobicContact CE-CB 3.72Å; M328-A333 HydrophobicContact SD-CB 4.29Å; M328-I338 HydrophobicContact CE-CG1 3.84Å; M328-F341 HydrophobicContact CB-CD1 3.78Å; M328-F341 HydrophobicContact CB-CD2 3.88Å; M328-F341 HydrophobicContact CB-CE1 3.71Å; M328-F341 HydrophobicContact CB-CE2 3.81Å; M328-F341 HydrophobicContact CB-CG 3.86Å; M328-F341 HydrophobicContact CB-CZ 3.74Å; M328-F341 HydrophobicContact CE-CB 4.2Å; M328-F341 HydrophobicContact CE-CD1 4.15Å; M328-F341 HydrophobicContact CE-CG 4.28Å; M328-F341 HydrophobicContact SD-CB 3.94Å; M328-F341 HydrophobicContact SD-CD1 4.42Å; M328-F341 HydrophobicContact SD-CG 4.03Å
329	N	94.8	Very high	94.9	Very high	106 Å²	106	63.4 Å²	63.4	57%	0.567	33%	0.325	S	S	*	.			trans	-111.9	68.2	178.8	-70.2	-19.7	0	0	0	110.1	N307 Q308	N307-N329 PolarHBondContact O-OD1 3.22Å; Q308-N329 WeakPolarHBondContact CA-OD1 3.31Å; Q308-N329 WeakPolarHBondContact CB-OD1 3.16Å; Q308-N329 VanDerWaalsContact CD-OD1 3.28Å; Q308-N329 WeakPolarHBondContact CG-OD1 3.35Å; Q308-N329 PolarHBondContact OE1-ND2 3.34Å; Q308-N329 PolarHBondContact OE1-OD1 3.12Å
330	R	91.6	Very high	94.8	Very high	89 Å²	89	68.8 Å²	68.8	34%	0.336	35%	0.348	S	S	.	.			trans	-131.3	100.8	-174.5	-147	-170.1	85.9	-168.6	19.8	110.9	L281 M328 D332 A333 D337	L281-R330 WeakPolarHBondContact CD1-O 3.18Å; M328-R330 HydrophobicContact CG-CB 3.87Å; M328-R330 HydrophobicContact SD-CB 4.26Å; R330-D332 WeakPolarHBondContact CD-OD1 3.14Å; R330-D332 VanDerWaalsContact CG-OD1 3.26Å; R330-D332 WeakPolarHBondContact CG-OD1 3.42Å; R330-D332 IonicContact CZ-OD1 3.92Å; R330-D332 IonicContact NE-OD1 3.38Å; R330-D332 PolarHBondContact NE-OD1 3.38Å; R330-D332 IonicContact NH2-OD1 3.64Å; R330-D332 PolarHBondContact O-N 3.22Å; R330-A333 HydrophobicContact CB-CB 4.33Å; R330-A333 WeakPolarHBondContact O-CB 3.43Å; R330-A333 PolarHBondContact O-N 2.99Å; R330-D337 VanDerWaalsContact CZ-CG 3.44Å; R330-D337 IonicContact CZ-OD1 2.65Å; R330-D337 IonicContact CZ-OD2 3.4Å; R330-D337 IonicContact NH1-OD1 3.27Å; R330-D337 PolarHBondContact NH1-OD1 2.81Å; R330-D337 IonicContact NH1-OD2 2.86Å; R330-D337 IonicContact NH2-OD1 2.76Å; R330-D337 PolarHBondContact NH2-OD1 2.91Å; R330-D337 IonicContact NH2-OD2 2.69Å; R330-D337 PolarHBondContact NH2-OD2 3.04Å
331	G	88.7	Confident	94.8	Very high	50 Å²	50	63.1 Å²	63.1	52%	0.515	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.1	-173	0	0	0	0	0	115.6
332	D	93.3	Very high	94.7	Very high	118 Å²	118	59.6 Å²	59.6	63%	0.631	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	10.8	-179.1	69.6	-8.7	0	0	0	112.9	R330 S334	R330-D332 WeakPolarHBondContact CD-OD1 3.14Å; R330-D332 VanDerWaalsContact CG-OD1 3.26Å; R330-D332 WeakPolarHBondContact CG-OD1 3.42Å; R330-D332 IonicContact CZ-OD1 3.92Å; R330-D332 IonicContact NE-OD1 3.38Å; R330-D332 PolarHBondContact NE-OD1 3.38Å; R330-D332 IonicContact NH2-OD1 3.64Å; R330-D332 PolarHBondContact O-N 3.22Å; D332-S334 PolarHBondContact O-N 2.94Å
333	A	97	Very high	94.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.31	C	S	.	.			trans	-60	125.1	-175.5	0	0	0	0	0	111.2	L281 N284 M328 R330 D337 I338	L281-A333 HydrophobicContact CD1-CB 3.68Å; N284-A333 PolarHBondContact ND2-O 3.01Å; M328-A333 HydrophobicContact CE-CB 3.72Å; M328-A333 HydrophobicContact SD-CB 4.29Å; R330-A333 HydrophobicContact CB-CB 4.33Å; R330-A333 WeakPolarHBondContact O-CB 3.43Å; R330-A333 PolarHBondContact O-N 2.99Å; A333-D337 HydrophobicContact CB-CB 4.12Å; A333-I338 HydrophobicContact CB-CD1 4.47Å; A333-I338 HydrophobicContact CB-CG1 3.96Å
334	S	96.8	Very high	94.3	Very high	33 Å²	33	60.4 Å²	60.4	23%	0.231	31%	0.309	C	S	.	.			trans	-71.4	167.2	171.5	70.6	0	0	0	0	110.4	D332 E336 D337 I338	D332-S334 PolarHBondContact O-N 2.94Å; S334-E336 PolarHBondContact O-N 2.89Å; S334-E336 PolarHBondContact OG-N 3.02Å; S334-E336 PolarHBondContact OG-OE2 3.11Å; S334-D337 WeakPolarHBondContact CB-OD2 3.39Å; S334-D337 PolarHBondContact N-OD2 3.15Å; S334-D337 VanDerWaalsContact N-OD2 3.11Å; S334-D337 WeakPolarHBondContact O-CB 3.47Å; S334-D337 PolarHBondContact O-N 3.39Å; S334-D337 VanDerWaalsContact OG-CG 3.26Å; S334-D337 PolarHBondContact OG-N 3.24Å; S334-D337 VanDerWaalsContact OG-N 3.14Å; S334-D337 PolarHBondContact OG-OD2 3.36Å; S334-I338 VanDerWaalsContact O-CG1 3.26Å; S334-I338 WeakPolarHBondContact O-CG1 3.33Å; S334-I338 PolarHBondContact O-N 2.92Å
335	K	94	Very high	94.3	Very high	50 Å²	50	57 Å²	57	22%	0.217	30%	0.295	C	S	.	.	H	α-helix	trans	-52.7	-43.8	169.8	175.9	-160.8	-174.8	174.8	0	111.6	E287 A288 D337 I338 V339	E287-K335 HydrophobicContact CB-CD 4.32Å; E287-K335 HydrophobicContact CB-CG 4.36Å; E287-K335 HydrophobicContact CG-CD 3.87Å; E287-K335 HydrophobicContact CG-CG 4.44Å; E287-K335 WeakPolarHBondContact OE1-CD 3.37Å; E287-K335 WeakPolarHBondContact OE1-CE 3.41Å; E287-K335 IonicContact OE1-NZ 3.7Å; E287-K335 PolarHBondContact OE1-NZ 3.21Å; A288-K335 HydrophobicContact CB-CG 4.12Å; K335-D337 PolarHBondContact O-N 2.91Å; K335-I338 PolarHBondContact O-N 3.39Å; K335-V339 HydrophobicContact CG-CG2 4.47Å; K335-V339 WeakPolarHBondContact O-CG2 3.17Å; K335-V339 PolarHBondContact O-N 3.33Å
336	E	94.6	Very high	94.2	Very high	127 Å²	127	52 Å²	52	59%	0.593	27%	0.272	S	S	*	.	H	α-helix	trans	-64.8	-40.4	-178.8	-68	65.6	-144.6	0	0	111.5	S334 I338 K340	S334-E336 PolarHBondContact O-N 2.89Å; S334-E336 PolarHBondContact OG-N 3.02Å; S334-E336 PolarHBondContact OG-OE2 3.11Å; E336-I338 VanDerWaalsContact C-N 3.35Å; E336-K340 VanDerWaalsContact O-CB 3.28Å; E336-K340 WeakPolarHBondContact O-CB 3.08Å; E336-K340 PolarHBondContact O-N 2.86Å
337	D	97.3	Very high	94.1	Very high	52 Å²	52	50.3 Å²	50.3	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-42.3	174.7	-67.6	-73.4	0	0	0	112	R330 A333 S334 K335 K340 F341	R330-D337 VanDerWaalsContact CZ-CG 3.44Å; R330-D337 IonicContact CZ-OD1 2.65Å; R330-D337 IonicContact CZ-OD2 3.4Å; R330-D337 IonicContact NH1-OD1 3.27Å; R330-D337 PolarHBondContact NH1-OD1 2.81Å; R330-D337 IonicContact NH1-OD2 2.86Å; R330-D337 IonicContact NH2-OD1 2.76Å; R330-D337 PolarHBondContact NH2-OD1 2.91Å; R330-D337 IonicContact NH2-OD2 2.69Å; R330-D337 PolarHBondContact NH2-OD2 3.04Å; A333-D337 HydrophobicContact CB-CB 4.12Å; S334-D337 WeakPolarHBondContact CB-OD2 3.39Å; S334-D337 PolarHBondContact N-OD2 3.15Å; S334-D337 VanDerWaalsContact N-OD2 3.11Å; S334-D337 WeakPolarHBondContact O-CB 3.47Å; S334-D337 PolarHBondContact O-N 3.39Å; S334-D337 VanDerWaalsContact OG-CG 3.26Å; S334-D337 PolarHBondContact OG-N 3.24Å; S334-D337 VanDerWaalsContact OG-N 3.14Å; S334-D337 PolarHBondContact OG-OD2 3.36Å; K335-D337 PolarHBondContact O-N 2.91Å; D337-K340 PolarHBondContact O-N 2.96Å; D337-F341 WeakPolarHBondContact O-CB 3.27Å; D337-F341 PolarHBondContact O-N 3.15Å
338	I	96.3	Very high	94	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-48.6	178.7	-65.5	168.1	0	0	0	110.4	L281 N284 F285 A288 F292 I309 M328 A333 S334 K335 E336 K340 F341 V342	L281-I338 HydrophobicContact CD1-CD1 4.16Å; N284-I338 HydrophobicContact CB-CD1 3.85Å; F285-I338 HydrophobicContact CB-CD1 4.18Å; F285-I338 HydrophobicContact CD2-CG2 4.04Å; A288-I338 HydrophobicContact CB-CB 3.94Å; A288-I338 HydrophobicContact CB-CG2 3.53Å; F292-I338 HydrophobicContact CE1-CG2 4.45Å; F292-I338 HydrophobicContact CZ-CG2 3.81Å; I309-I338 HydrophobicContact CD1-CB 4.4Å; I309-I338 HydrophobicContact CD1-CD1 3.81Å; I309-I338 HydrophobicContact CD1-CG1 3.62Å; I309-I338 HydrophobicContact CD1-CG2 3.97Å; M328-I338 HydrophobicContact CE-CG1 3.84Å; A333-I338 HydrophobicContact CB-CD1 4.47Å; A333-I338 HydrophobicContact CB-CG1 3.96Å; S334-I338 VanDerWaalsContact O-CG1 3.26Å; S334-I338 WeakPolarHBondContact O-CG1 3.33Å; S334-I338 PolarHBondContact O-N 2.92Å; K335-I338 PolarHBondContact O-N 3.39Å; E336-I338 VanDerWaalsContact C-N 3.35Å; I338-K340 VanDerWaalsContact C-N 3.3Å; I338-K340 PolarHBondContact O-N 2.66Å; I338-F341 PolarHBondContact O-N 3.35Å; I338-V342 HydrophobicContact CG2-CG2 4.35Å; I338-V342 WeakPolarHBondContact O-CB 3.48Å; I338-V342 WeakPolarHBondContact O-CG2 3.29Å; I338-V342 PolarHBondContact O-N 3.06Å
339	V	92.2	Very high	94	Very high	24 Å²	24	48.8 Å²	48.8	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-43.6	177.9	171.3	0	0	0	0	110.5	A288 F292 Y295 K335 V342 T343	A288-V339 HydrophobicContact CB-CG2 3.87Å; F292-V339 HydrophobicContact CE1-CG2 4.25Å; Y295-V339 HydrophobicContact CE2-CG1 4.18Å; K335-V339 HydrophobicContact CG-CG2 4.47Å; K335-V339 WeakPolarHBondContact O-CG2 3.17Å; K335-V339 PolarHBondContact O-N 3.33Å; V339-V342 PolarHBondContact O-N 2.65Å; V339-T343 HydrophobicContact CG1-CG2 4.3Å; V339-T343 WeakPolarHBondContact O-CB 3.42Å; V339-T343 VanDerWaalsContact O-CG2 3.3Å; V339-T343 WeakPolarHBondContact O-CG2 3.36Å; V339-T343 PolarHBondContact O-N 3.47Å; V339-T343 PolarHBondContact O-OG1 3.04Å
340	K	93.1	Very high	94.1	Very high	118 Å²	118	43.7 Å²	43.7	51%	0.513	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-50.8	176	-176.9	-178.7	175.7	-174.3	0	111.5	E336 D337 I338 V342 T343 E344	E336-K340 VanDerWaalsContact O-CB 3.28Å; E336-K340 WeakPolarHBondContact O-CB 3.08Å; E336-K340 PolarHBondContact O-N 2.86Å; D337-K340 PolarHBondContact O-N 2.96Å; I338-K340 VanDerWaalsContact C-N 3.3Å; I338-K340 PolarHBondContact O-N 2.66Å; K340-V342 VanDerWaalsContact C-N 3.34Å; K340-V342 PolarHBondContact O-N 3.16Å; K340-T343 PolarHBondContact O-N 2.99Å; K340-T343 PolarHBondContact O-OG1 3.32Å; K340-T343 VanDerWaalsContact O-OG1 3.09Å; K340-E344 WeakPolarHBondContact CE-OE1 3.35Å; K340-E344 HydrophobicContact CG-CG 4.36Å; K340-E344 IonicContact NZ-OE1 3.12Å; K340-E344 WeakPolarHBondContact O-CB 2.89Å; K340-E344 WeakPolarHBondContact O-CG 3.31Å; K340-E344 PolarHBondContact O-N 3.36Å
341	F	95.7	Very high	94.3	Very high	31 Å²	31	39.5 Å²	39.5	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-46.6	178.4	168.1	-106.6	0	0	0	111.9	I309 V311 K326 M328 D337 I338 S345	I309-F341 HydrophobicContact CB-CE1 4.28Å; I309-F341 HydrophobicContact CG2-CD1 4.14Å; I309-F341 HydrophobicContact CG2-CE1 3.94Å; I309-F341 WeakPolarHBondContact O-CE1 2.92Å; V311-F341 HydrophobicContact CG2-CD1 4.4Å; V311-F341 HydrophobicContact CG2-CE1 3.79Å; V311-F341 HydrophobicContact CG2-CZ 4.25Å; K326-F341 HydrophobicContact CB-CZ 4.44Å; M328-F341 HydrophobicContact CB-CD1 3.78Å; M328-F341 HydrophobicContact CB-CD2 3.88Å; M328-F341 HydrophobicContact CB-CE1 3.71Å; M328-F341 HydrophobicContact CB-CE2 3.81Å; M328-F341 HydrophobicContact CB-CG 3.86Å; M328-F341 HydrophobicContact CB-CZ 3.74Å; M328-F341 HydrophobicContact CE-CB 4.2Å; M328-F341 HydrophobicContact CE-CD1 4.15Å; M328-F341 HydrophobicContact CE-CG 4.28Å; M328-F341 HydrophobicContact SD-CB 3.94Å; M328-F341 HydrophobicContact SD-CD1 4.42Å; M328-F341 HydrophobicContact SD-CG 4.03Å; D337-F341 WeakPolarHBondContact O-CB 3.27Å; D337-F341 PolarHBondContact O-N 3.15Å; I338-F341 PolarHBondContact O-N 3.35Å; F341-S345 WeakPolarHBondContact CD2-OG 3.15Å; F341-S345 WeakPolarHBondContact CE2-OG 3.43Å; F341-S345 WeakPolarHBondContact O-CB 3.28Å; F341-S345 PolarHBondContact O-N 2.85Å; F341-S345 PolarHBondContact O-OG 3.18Å
342	V	93.7	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-50.7	-179.8	168	0	0	0	0	110.7	V270 F292 I309 V311 I338 V339 K340 E344 S345 S346	V270-V342 HydrophobicContact CG1-CG2 3.82Å; V270-V342 HydrophobicContact CG2-CG1 3.72Å; V270-V342 HydrophobicContact CG2-CG2 4.36Å; F292-V342 HydrophobicContact CD1-CG1 4.13Å; F292-V342 HydrophobicContact CE1-CB 3.91Å; F292-V342 HydrophobicContact CE1-CG1 3.89Å; F292-V342 HydrophobicContact CE1-CG2 3.94Å; F292-V342 HydrophobicContact CE2-CG2 4.29Å; F292-V342 HydrophobicContact CZ-CB 4.11Å; F292-V342 HydrophobicContact CZ-CG1 4.19Å; F292-V342 HydrophobicContact CZ-CG2 3.61Å; I309-V342 HydrophobicContact CG2-CG2 4.42Å; V311-V342 HydrophobicContact CG2-CB 4.48Å; V311-V342 HydrophobicContact CG2-CG2 4.08Å; I338-V342 HydrophobicContact CG2-CG2 4.35Å; I338-V342 WeakPolarHBondContact O-CB 3.48Å; I338-V342 WeakPolarHBondContact O-CG2 3.29Å; I338-V342 PolarHBondContact O-N 3.06Å; V339-V342 PolarHBondContact O-N 2.65Å; K340-V342 VanDerWaalsContact C-N 3.34Å; K340-V342 PolarHBondContact O-N 3.16Å; V342-E344 PolarHBondContact O-N 3.42Å; V342-S345 PolarHBondContact O-N 2.74Å; V342-S346 VanDerWaalsContact O-CB 3.23Å; V342-S346 WeakPolarHBondContact O-CB 3.38Å; V342-S346 PolarHBondContact O-N 3.21Å; V342-S346 PolarHBondContact O-OG 2.93Å
343	T	90.4	Very high	94.5	Very high	28 Å²	28	34 Å²	34	17%	0.172	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-42	-178.3	51	0	0	0	0	112.6	Y295 V339 K340	Y295-T343 HydrophobicContact CD1-CG2 4.07Å; Y295-T343 HydrophobicContact CD2-CG2 3.7Å; Y295-T343 HydrophobicContact CE1-CG2 3.98Å; Y295-T343 HydrophobicContact CE2-CG2 3.62Å; Y295-T343 HydrophobicContact CG-CG2 3.95Å; V339-T343 HydrophobicContact CG1-CG2 4.3Å; V339-T343 WeakPolarHBondContact O-CB 3.42Å; V339-T343 VanDerWaalsContact O-CG2 3.3Å; V339-T343 WeakPolarHBondContact O-CG2 3.36Å; V339-T343 PolarHBondContact O-N 3.47Å; V339-T343 PolarHBondContact O-OG1 3.04Å; K340-T343 PolarHBondContact O-N 2.99Å; K340-T343 PolarHBondContact O-OG1 3.32Å; K340-T343 VanDerWaalsContact O-OG1 3.09Å
344	E	91.7	Very high	94.2	Very high	115 Å²	115	35.1 Å²	35.1	54%	0.537	18%	0.175	S	C	.	.	H	α-helix	trans	-69.1	-36	176.1	-70.6	178.3	173.1	0	0	112.5	K340 V342	K340-E344 WeakPolarHBondContact CE-OE1 3.35Å; K340-E344 HydrophobicContact CG-CG 4.36Å; K340-E344 IonicContact NZ-OE1 3.12Å; K340-E344 WeakPolarHBondContact O-CB 2.89Å; K340-E344 WeakPolarHBondContact O-CG 3.31Å; K340-E344 PolarHBondContact O-N 3.36Å; V342-E344 PolarHBondContact O-N 3.42Å
345	S	94.2	Very high	93.6	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.063	18%	0.182	C	C	.	.	H	α-helix	trans	-78.5	-23.9	-178.9	-63.8	0	0	0	0	113.3	L313 K326 F341 V342 I347	L313-S345 WeakPolarHBondContact CD2-O 3.13Å; K326-S345 PolarHBondContact NZ-O 3.34Å; F341-S345 WeakPolarHBondContact CD2-OG 3.15Å; F341-S345 WeakPolarHBondContact CE2-OG 3.43Å; F341-S345 WeakPolarHBondContact O-CB 3.28Å; F341-S345 PolarHBondContact O-N 2.85Å; F341-S345 PolarHBondContact O-OG 3.18Å; V342-S345 PolarHBondContact O-N 2.74Å; S345-I347 VanDerWaalsContact C-N 3.26Å; S345-I347 PolarHBondContact O-N 3.31Å
346	S	93.2	Very high	92.9	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.035	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.5	-179.2	-60.5	0	0	0	0	113.8	V342 P348	V342-S346 VanDerWaalsContact O-CB 3.23Å; V342-S346 WeakPolarHBondContact O-CB 3.38Å; V342-S346 PolarHBondContact O-N 3.21Å; V342-S346 PolarHBondContact O-OG 2.93Å; S346-P348 WeakPolarHBondContact O-CD 3.22Å
347	I	92.7	Very high	92.5	Very high	25 Å²	25	32.7 Å²	32.7	13%	0.128	16%	0.164	C	C	.	.	S	Bend	trans	-92.4	115.4	176.7	-57.9	165.2	0	0	0	108.3	S345 A361 Y362 L404	S345-I347 VanDerWaalsContact C-N 3.26Å; S345-I347 PolarHBondContact O-N 3.31Å; I347-A361 HydrophobicContact CD1-CB 4.45Å; I347-A361 VanDerWaalsContact CD1-O 3.25Å; I347-A361 WeakPolarHBondContact CD1-O 3.19Å; I347-A361 HydrophobicContact CG1-CB 4.26Å; I347-Y362 HydrophobicContact CG2-CE1 4.12Å; I347-L404 HydrophobicContact CG2-CD2 4.12Å
348	P	95.2	Very high	92	Very high	10 Å²	10	32.3 Å²	32.3	7%	0.065	16%	0.16	C	C	.	.			trans	-65.7	162.4	173.4	-15.1	28.5	0	0	0	111.7	L313 L317 S346 V350	L313-P348 HydrophobicContact CD1-CB 4.24Å; L313-P348 HydrophobicContact CD2-CG 4.18Å; L317-P348 HydrophobicContact CB-CB 4.29Å; L317-P348 HydrophobicContact CB-CG 3.78Å; L317-P348 HydrophobicContact CD1-CG 4.11Å; L317-P348 WeakPolarHBondContact O-CB 3.28Å; S346-P348 WeakPolarHBondContact O-CD 3.22Å; P348-V350 PolarHBondContact O-N 3.42Å
349	L	96.7	Very high	91.5	Very high	34 Å²	34	35 Å²	35	18%	0.178	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-37	176.5	-177.6	60.6	0	0	0	111.8	E322 A394 A397 K398 F405	E322-L349 HydrophobicContact CB-CB 4.31Å; E322-L349 VanDerWaalsContact CD-CB 3.44Å; E322-L349 VanDerWaalsContact CD-N 3.31Å; E322-L349 HydrophobicContact CG-CB 4.36Å; E322-L349 VanDerWaalsContact OE1-CB 3.27Å; E322-L349 WeakPolarHBondContact OE1-CB 3.38Å; E322-L349 PolarHBondContact OE1-N 2.82Å; E322-L349 VanDerWaalsContact OE1-N 3.15Å; E322-L349 WeakPolarHBondContact OE2-CB 3.45Å; E322-L349 PolarHBondContact OE2-N 3.3Å; L349-A394 HydrophobicContact CD2-CB 4.06Å; L349-A397 HydrophobicContact CD1-CB 3.9Å; L349-A397 HydrophobicContact CD2-CB 4.5Å; L349-A397 HydrophobicContact CG-CB 3.94Å; L349-K398 HydrophobicContact CD2-CB 4.22Å; L349-F405 WeakPolarHBondContact O-CB 3.42Å
350	V	97.5	Very high	91	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	88.7	169.5	-175.5	0	0	0	0	108.7	P348 R390 I393 A394 A397 F405 V407	P348-V350 PolarHBondContact O-N 3.42Å; V350-R390 HydrophobicContact CG1-CG 4.23Å; V350-R390 PolarHBondContact O-NE 3.09Å; V350-R390 VanDerWaalsContact O-NE 3.15Å; V350-R390 PolarHBondContact O-NH2 3.16Å; V350-I393 HydrophobicContact CB-CG2 4.47Å; V350-I393 HydrophobicContact CG1-CB 4.2Å; V350-I393 HydrophobicContact CG1-CG2 3.85Å; V350-I393 HydrophobicContact CG2-CB 4.1Å; V350-I393 HydrophobicContact CG2-CG2 3.7Å; V350-A394 HydrophobicContact CG2-CB 3.71Å; V350-A397 HydrophobicContact CG2-CB 4.23Å; V350-F405 WeakPolarHBondContact CA-O 3.48Å; V350-F405 HydrophobicContact CG2-CB 4.24Å; V350-V407 HydrophobicContact CG1-CG1 3.87Å
351	G	94.9	Very high	90.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	162.8	-175.8	0	0	0	0	0	113.9	Y362 F405 A406 V407	G351-Y362 VanDerWaalsContact CA-OH 3.24Å; G351-Y362 WeakPolarHBondContact CA-OH 3.36Å; G351-F405 PolarHBondContact N-O 3.48Å; G351-F405 VanDerWaalsContact N-O 3.1Å; G351-A406 CarbonylContact O-C 3.54Å; G351-A406 WeakPolarHBondContact O-CA 3.38Å; G351-A406 WeakPolarHBondContact O-CB 2.98Å; G351-V407 PolarHBondContact O-N 3.17Å
352	H	94	Very high	90.5	Very high	44 Å²	44	29.8 Å²	29.8	20%	0.204	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.7	169.7	178.3	-155.1	0	0	0	108.6	L317 T354 N357 F378	L317-H352 HydrophobicContact CD1-CB 4.29Å; L317-H352 HydrophobicContact CD2-CB 3.89Å; H352-T354 WeakPolarHBondContact CE1-CG2 3.38Å; H352-T354 WeakPolarHBondContact NE2-CG2 3.43Å; H352-N357 PolarHBondContact O-ND2 3.45Å; H352-F378 HydrophobicContact CB-CE2 3.68Å; H352-F378 HydrophobicContact CB-CZ 4.25Å; H352-F378 AromaticContact CD2-CE2 3.94Å; H352-F378 AromaticContact CE1-CD2 3.89Å; H352-F378 AromaticContact CG-CE2 3.48Å; H352-F378 VanDerWaalsContact CG-CE2 3.48Å; H352-F378 AromaticContact ND1-CD2 3.61Å; H352-F378 AromaticContact ND1-CE2 3.59Å
353	R	93.9	Very high	89.9	Confident	8 Å²	8	33.9 Å²	33.9	3%	0.03	19%	0.186	C	C	.	.			trans	-95.2	122.7	177.6	-178.6	-173.4	76.1	108.1	-2.2	110.3	N357 E358 Y362 Y373 A406 V407 S408 F413 E416	R353-N357 WeakPolarHBondContact CA-OD1 3.33Å; R353-E358 HydrophobicContact CG-CB 3.93Å; R353-E358 IonicContact NH1-OE2 2.69Å; R353-E358 PolarHBondContact NH1-OE2 3.04Å; R353-Y362 HydrophobicContact CB-CD2 3.82Å; R353-Y362 HydrophobicContact CB-CE2 3.53Å; R353-Y362 HydrophobicContact CG-CD2 3.51Å; R353-Y362 HydrophobicContact CG-CE2 3.74Å; R353-Y362 HydrophobicContact CG-CG 4.23Å; R353-Y373 PolarHBondContact NH2-OH 3.44Å; R353-A406 HydrophobicContact CB-CB 3.84Å; R353-V407 PolarHBondContact N-O 3.39Å; R353-S408 WeakPolarHBondContact CB-OG 3.39Å; R353-S408 PolarHBondContact NE-OG 3.21Å; R353-S408 PolarHBondContact NH2-OG 2.69Å; R353-S408 PolarHBondContact O-OG 2.98Å; R353-F413 HydrophobicContact CG-CZ 4.45Å; R353-F413 VanDerWaalsContact CZ-CE1 3.47Å; R353-F413 WeakPolarHBondContact O-CE2 3.41Å; R353-E416 IonicContact CZ-OE1 3.4Å; R353-E416 IonicContact CZ-OE2 3.58Å; R353-E416 IonicContact NH1-OE1 3.66Å; R353-E416 PolarHBondContact NH1-OE1 3.11Å; R353-E416 IonicContact NH1-OE2 2.64Å; R353-E416 IonicContact NH2-OE1 3.34Å; R353-E416 PolarHBondContact NH2-OE1 3.2Å; R353-E416 IonicContact NH2-OE2 3.52Å; R353-E416 PolarHBondContact NH2-OE2 3.48Å
354	T	89.9	Confident	88.9	Confident	25 Å²	25	40.3 Å²	40.3	15%	0.153	21%	0.212	C	C	.	.			trans	-126.4	165.5	178.6	58.2	0	0	0	0	109.6	H352 A356 N357 E358	H352-T354 WeakPolarHBondContact CE1-CG2 3.38Å; H352-T354 WeakPolarHBondContact NE2-CG2 3.43Å; T354-A356 PolarHBondContact O-N 3.49Å; T354-A356 VanDerWaalsContact O-N 3.08Å; T354-A356 WeakPolarHBondContact OG1-CB 3.35Å; T354-N357 PolarHBondContact N-OD1 3.4Å; T354-N357 PolarHBondContact O-N 2.8Å; T354-N357 PolarHBondContact O-OD1 3.09Å; T354-N357 VanDerWaalsContact O-OD1 3.09Å; T354-E358 PolarHBondContact O-N 2.76Å
355	R	84.9	Confident	87.9	Confident	98 Å²	98	36.8 Å²	36.8	37%	0.37	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.8	175	-66.5	-63.5	-179.8	-170.9	0.5	112.6	E358 E412 F413 N415 E416	R355-E358 IonicContact NH1-OE1 2.7Å; R355-E358 PolarHBondContact NH1-OE1 3.27Å; R355-E358 IonicContact NH1-OE2 3.6Å; R355-E412 WeakPolarHBondContact CB-OE1 3.38Å; R355-E412 HydrophobicContact CG-CG 3.85Å; R355-E412 VanDerWaalsContact CG-OE1 3.25Å; R355-E412 WeakPolarHBondContact CG-OE1 3.49Å; R355-E412 PolarHBondContact N-OE1 2.93Å; R355-E412 PolarHBondContact NE-O 2.99Å; R355-E412 PolarHBondContact NH2-O 2.79Å; R355-F413 HydrophobicContact CG-CE1 4.41Å; R355-F413 HydrophobicContact CG-CZ 4.27Å; R355-N415 PolarHBondContact NH2-OD1 2.88Å; R355-E416 IonicContact NH1-OE1 3.65Å
356	A	79.6	Confident	87.2	Confident	37 Å²	37	41.8 Å²	41.8	31%	0.306	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-31.1	177.5	0	0	0	0	0	114.8	T354	T354-A356 PolarHBondContact O-N 3.49Å; T354-A356 VanDerWaalsContact O-N 3.08Å; T354-A356 WeakPolarHBondContact OG1-CB 3.35Å
357	N	85.8	Confident	87.1	Confident	24 Å²	24	45.9 Å²	45.9	13%	0.128	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-12.2	-171.3	71.7	12.8	0	0	0	114.9	H352 R353 T354 A359 W360 A361	H352-N357 PolarHBondContact O-ND2 3.45Å; R353-N357 WeakPolarHBondContact CA-OD1 3.33Å; T354-N357 PolarHBondContact N-OD1 3.4Å; T354-N357 PolarHBondContact O-N 2.8Å; T354-N357 PolarHBondContact O-OD1 3.09Å; T354-N357 VanDerWaalsContact O-OD1 3.09Å; N357-A359 VanDerWaalsContact C-N 3.27Å; N357-A359 PolarHBondContact O-N 3.4Å; N357-A359 VanDerWaalsContact O-N 3.17Å; N357-W360 HydrophobicContact CB-CZ2 4.19Å; N357-W360 PolarHBondContact O-N 3.4Å; N357-A361 WeakPolarHBondContact O-CB 3.34Å; N357-A361 PolarHBondContact O-N 3.17Å
358	E	87	Confident	87.2	Confident	43 Å²	43	45.6 Å²	45.6	20%	0.201	26%	0.258	C	S	.	.	I	π-helix	trans	-49.6	-48.1	-176	67.5	177.2	168.1	0	0	112.9	R353 T354 R355 W360 Y362 S363 F413	R353-E358 HydrophobicContact CG-CB 3.93Å; R353-E358 IonicContact NH1-OE2 2.69Å; R353-E358 PolarHBondContact NH1-OE2 3.04Å; T354-E358 PolarHBondContact O-N 2.76Å; R355-E358 IonicContact NH1-OE1 2.7Å; R355-E358 PolarHBondContact NH1-OE1 3.27Å; R355-E358 IonicContact NH1-OE2 3.6Å; E358-W360 PolarHBondContact O-N 2.85Å; E358-Y362 CarbonylContact O-C 3.6Å; E358-Y362 WeakPolarHBondContact O-CA 3.45Å; E358-Y362 PolarHBondContact O-N 2.87Å; E358-S363 PolarHBondContact O-N 3.17Å; E358-S363 PolarHBondContact O-OG 3.5Å; E358-S363 VanDerWaalsContact O-OG 3.09Å; E358-F413 VanDerWaalsContact OE2-CE1 3.31Å; E358-F413 WeakPolarHBondContact OE2-CE1 3.28Å
359	A	84.4	Confident	87.3	Confident	57 Å²	57	45.7 Å²	45.7	47%	0.471	26%	0.258	S	S	.	.	I	π-helix	trans	-67.3	-34.4	-171.8	0	0	0	0	0	113.3	N357 K364	N357-A359 VanDerWaalsContact C-N 3.27Å; N357-A359 PolarHBondContact O-N 3.4Å; N357-A359 VanDerWaalsContact O-N 3.17Å; A359-K364 WeakPolarHBondContact O-CG 3.43Å
360	W	83	Confident	87.4	Confident	40 Å²	40	44.3 Å²	44.3	15%	0.152	25%	0.25	C	S	.	.	I	π-helix	trans	-94.7	-37.7	-176.8	75.2	-103.6	0	0	0	112.5	Y295 N357 E358	Y295-W360 HydrophobicContact CD1-CB 3.88Å; Y295-W360 AromaticContact CD1-CD2 3.6Å; Y295-W360 HydrophobicContact CD1-CD2 3.6Å; Y295-W360 AromaticContact CD1-CE3 3.59Å; Y295-W360 HydrophobicContact CD1-CE3 3.59Å; Y295-W360 AromaticContact CD1-CG 3.74Å; Y295-W360 HydrophobicContact CD1-CG 3.74Å; Y295-W360 HydrophobicContact CD1-CZ3 4.35Å; Y295-W360 HydrophobicContact CE1-CB 3.93Å; Y295-W360 HydrophobicContact CE1-CD2 4.45Å; Y295-W360 HydrophobicContact CE1-CE3 4.33Å; Y295-W360 HydrophobicContact CE1-CG 4.31Å; Y295-W360 HydrophobicContact CG-CD2 4.43Å; Y295-W360 HydrophobicContact CG-CE3 4.27Å; Y295-W360 WeakPolarHBondContact O-CH2 3.43Å; Y295-W360 WeakPolarHBondContact O-CZ2 3.13Å; N357-W360 HydrophobicContact CB-CZ2 4.19Å; N357-W360 PolarHBondContact O-N 3.4Å; E358-W360 PolarHBondContact O-N 2.85Å
361	A	87.5	Confident	87.5	Confident	7 Å²	7	44.3 Å²	44.3	6%	0.058	25%	0.25	C	S	.	.	I	π-helix	trans	-87.7	-31.8	-174.8	0	0	0	0	0	112.6	I347 N357	I347-A361 HydrophobicContact CD1-CB 4.45Å; I347-A361 VanDerWaalsContact CD1-O 3.25Å; I347-A361 WeakPolarHBondContact CD1-O 3.19Å; I347-A361 HydrophobicContact CG1-CB 4.26Å; N357-A361 WeakPolarHBondContact O-CB 3.34Å; N357-A361 PolarHBondContact O-N 3.17Å
362	Y	90.7	Very high	87.6	Confident	16 Å²	16	44.5 Å²	44.5	6%	0.063	25%	0.252	C	S	.	.	I	π-helix	trans	-126.7	-14	-166.6	-54.8	-76.3	0	0	0	114.8	I347 G351 R353 E358 L369 L404 A406	I347-Y362 HydrophobicContact CG2-CE1 4.12Å; G351-Y362 VanDerWaalsContact CA-OH 3.24Å; G351-Y362 WeakPolarHBondContact CA-OH 3.36Å; R353-Y362 HydrophobicContact CB-CD2 3.82Å; R353-Y362 HydrophobicContact CB-CE2 3.53Å; R353-Y362 HydrophobicContact CG-CD2 3.51Å; R353-Y362 HydrophobicContact CG-CE2 3.74Å; R353-Y362 HydrophobicContact CG-CG 4.23Å; E358-Y362 CarbonylContact O-C 3.6Å; E358-Y362 WeakPolarHBondContact O-CA 3.45Å; E358-Y362 PolarHBondContact O-N 2.87Å; Y362-L369 HydrophobicContact CD1-CD1 3.53Å; Y362-L369 HydrophobicContact CE1-CD1 4.31Å; Y362-L369 HydrophobicContact CG-CD1 4.19Å; Y362-L369 HydrophobicContact CG-CD2 4.47Å; Y362-L404 HydrophobicContact CD1-CD1 4.45Å; Y362-A406 HydrophobicContact CD1-CB 4.28Å; Y362-A406 HydrophobicContact CE1-CB 3.74Å
363	S	80.8	Confident	87.8	Confident	86 Å²	86	42.4 Å²	42.4	60%	0.601	24%	0.242	S	C	*	.	S	Bend	trans	-102.1	-12.2	-179	-49.5	0	0	0	0	115.8	E358	E358-S363 PolarHBondContact O-N 3.17Å; E358-S363 PolarHBondContact O-OG 3.5Å; E358-S363 VanDerWaalsContact O-OG 3.09Å
364	K	68.7	Low	87.9	Confident	163 Å²	163	42.7 Å²	42.7	71%	0.709	24%	0.244	S	C	*	.	S	Bend	trans	-103.9	4.9	-173.4	-73.1	-179	-172.1	-175.2	0	115.1	A359	A359-K364 WeakPolarHBondContact O-CG 3.43Å
365	G	70.7	Confident	88	Confident	42 Å²	42	43.5 Å²	43.5	43%	0.433	26%	0.256	S	S	.	.	S	Bend	trans	-91.6	163.1	-169	0	0	0	0	0	115.2
366	S	80.1	Confident	88.3	Confident	113 Å²	113	39 Å²	39	79%	0.79	24%	0.24	S	C	*	.	S	Bend	trans	-84.6	4.8	166.7	55.9	0	0	0	0	113.3	V436	S366-V436 WeakPolarHBondContact O-CG2 3.31Å
367	R	91.5	Very high	88.7	Confident	92 Å²	92	40.6 Å²	40.6	35%	0.347	24%	0.243	S	C	.	.	S	Bend	trans	-107.3	137.7	-177.6	-68.4	175.3	66.6	172.7	-0.4	109.6	P401 S402 Y403 L404	R367-P401 PolarHBondContact NE-O 3.23Å; R367-P401 PolarHBondContact NH2-O 3.26Å; R367-S402 VanDerWaalsContact CB-O 3.31Å; R367-S402 WeakPolarHBondContact CB-O 3.37Å; R367-S402 VanDerWaalsContact CG-O 3.31Å; R367-S402 WeakPolarHBondContact CG-O 3.48Å; R367-Y403 VanDerWaalsContact NH2-C 3.27Å; R367-Y403 PolarHBondContact NH2-O 3.47Å; R367-L404 HydrophobicContact CB-CD1 4.35Å; R367-L404 HydrophobicContact CB-CG 3.94Å
368	A	94.9	Very high	88.6	Confident	18 Å²	18	41.4 Å²	41.4	15%	0.149	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	149.3	167.1	0	0	0	0	0	109.5	Y403 L404 Y434 V436	A368-Y403 HydrophobicContact CB-CD1 3.59Å; A368-Y403 HydrophobicContact CB-CE1 3.67Å; A368-Y403 CarbonylContact O-C 3.47Å; A368-Y403 VanDerWaalsContact O-CA 3.25Å; A368-Y403 WeakPolarHBondContact O-CA 3.38Å; A368-L404 PolarHBondContact O-N 2.83Å; A368-Y434 CarbonylContact C-O 3.55Å; A368-Y434 VanDerWaalsContact CA-O 3.27Å; A368-Y434 WeakPolarHBondContact CA-O 3.44Å; A368-Y434 WeakPolarHBondContact CB-O 3.27Å; A368-V436 HydrophobicContact CB-CG2 4.43Å
369	L	97.5	Very high	88.3	Confident	13 Å²	13	40.3 Å²	40.3	7%	0.068	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.3	-176.6	173.6	68.3	0	0	0	109.8	Y362 V371 L404 A406 A433 Y434	Y362-L369 HydrophobicContact CD1-CD1 3.53Å; Y362-L369 HydrophobicContact CE1-CD1 4.31Å; Y362-L369 HydrophobicContact CG-CD1 4.19Å; Y362-L369 HydrophobicContact CG-CD2 4.47Å; L369-V371 HydrophobicContact CD1-CG2 4.14Å; L369-V371 HydrophobicContact CD2-CG2 3.52Å; L369-V371 HydrophobicContact CG-CG2 3.55Å; L369-L404 CarbonylContact C-O 3.6Å; L369-L404 WeakPolarHBondContact CA-O 3.4Å; L369-L404 HydrophobicContact CD1-CB 3.75Å; L369-A406 HydrophobicContact CD1-CB 4.28Å; L369-A433 CarbonylContact O-C 3.58Å; L369-A433 WeakPolarHBondContact O-CA 3.41Å; L369-Y434 HydrophobicContact CD2-CD2 4.17Å; L369-Y434 HydrophobicContact CG-CD2 4.44Å; L369-Y434 PolarHBondContact N-O 3.3Å; L369-Y434 PolarHBondContact O-N 3.41Å
370	V	98.4	Very high	88	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.1	171.3	-176	0	0	0	0	107.9	Y403 L404 F405 A406 V431 A433 M460	V370-Y403 HydrophobicContact CG2-CD1 3.9Å; V370-Y403 HydrophobicContact CG2-CG 4.42Å; V370-L404 PolarHBondContact N-O 2.95Å; V370-F405 HydrophobicContact CB-CD1 3.72Å; V370-F405 HydrophobicContact CB-CE1 3.75Å; V370-F405 HydrophobicContact CB-CG 4.26Å; V370-F405 HydrophobicContact CB-CZ 4.3Å; V370-F405 HydrophobicContact CG1-CD1 3.93Å; V370-F405 HydrophobicContact CG1-CE1 3.78Å; V370-F405 HydrophobicContact CG2-CD1 4.44Å; V370-F405 HydrophobicContact CG2-CE1 4.05Å; V370-F405 HydrophobicContact CG2-CZ 4.14Å; V370-F405 CarbonylContact O-C 3.48Å; V370-F405 VanDerWaalsContact O-CA 3.31Å; V370-F405 WeakPolarHBondContact O-CA 3.1Å; V370-A406 PolarHBondContact O-N 3.05Å; V370-V431 HydrophobicContact CG1-CG1 3.78Å; V370-A433 HydrophobicContact CG2-CB 4.01Å; V370-M460 HydrophobicContact CB-SD 4.49Å; V370-M460 HydrophobicContact CG1-SD 4.11Å; V370-M460 HydrophobicContact CG2-CE 3.99Å; V370-M460 HydrophobicContact CG2-SD 3.69Å
371	V	98.5	Very high	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.4	-177.4	-170.2	0	0	0	0	109.5	L369 Y373 A406 S408 V431 I432 Y434	L369-V371 HydrophobicContact CD1-CG2 4.14Å; L369-V371 HydrophobicContact CD2-CG2 3.52Å; L369-V371 HydrophobicContact CG-CG2 3.55Å; V371-Y373 HydrophobicContact CB-CD2 4.3Å; V371-Y373 HydrophobicContact CB-CE2 3.51Å; V371-Y373 HydrophobicContact CG1-CD1 4.4Å; V371-Y373 HydrophobicContact CG1-CD2 4.02Å; V371-Y373 HydrophobicContact CG1-CE1 3.95Å; V371-Y373 HydrophobicContact CG1-CE2 3.51Å; V371-Y373 HydrophobicContact CG1-CG 4.42Å; V371-Y373 VanDerWaalsContact CG1-CZ 3.47Å; V371-Y373 WeakPolarHBondContact O-CE2 3.19Å; V371-A406 WeakPolarHBondContact CA-O 3.46Å; V371-S408 WeakPolarHBondContact CG1-OG 3.36Å; V371-V431 WeakPolarHBondContact O-CA 3.24Å; V371-I432 PolarHBondContact N-O 2.91Å; V371-I432 PolarHBondContact O-N 3.2Å; V371-Y434 HydrophobicContact CB-CE2 4.39Å; V371-Y434 HydrophobicContact CG2-CD2 4.09Å; V371-Y434 HydrophobicContact CG2-CE2 3.89Å
372	A	98.5	Very high	87.8	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.033	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.3	166.6	0	0	0	0	0	109.6	I393 A406 V407 S408 I429 N430 V431	A372-I393 HydrophobicContact CB-CD1 3.69Å; A372-A406 PolarHBondContact N-O 2.91Å; A372-V407 HydrophobicContact CB-CG1 4.41Å; A372-V407 CarbonylContact O-C 3.44Å; A372-V407 VanDerWaalsContact O-CA 3.28Å; A372-V407 WeakPolarHBondContact O-CA 3.37Å; A372-S408 PolarHBondContact O-N 2.91Å; A372-I429 HydrophobicContact CB-CG2 3.86Å; A372-N430 CarbonylContact C-O 3.59Å; A372-N430 WeakPolarHBondContact CA-O 3.36Å; A372-V431 HydrophobicContact CB-CG2 4.36Å
373	Y	98.1	Very high	87.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.2	-177.1	-60.4	-101.2	0	0	0	109.7	R353 V371 S408 F413 E416 L417 I429 N430 I432 Y434	R353-Y373 PolarHBondContact NH2-OH 3.44Å; V371-Y373 HydrophobicContact CB-CD2 4.3Å; V371-Y373 HydrophobicContact CB-CE2 3.51Å; V371-Y373 HydrophobicContact CG1-CD1 4.4Å; V371-Y373 HydrophobicContact CG1-CD2 4.02Å; V371-Y373 HydrophobicContact CG1-CE1 3.95Å; V371-Y373 HydrophobicContact CG1-CE2 3.51Å; V371-Y373 HydrophobicContact CG1-CG 4.42Å; V371-Y373 VanDerWaalsContact CG1-CZ 3.47Å; V371-Y373 WeakPolarHBondContact O-CE2 3.19Å; Y373-S408 WeakPolarHBondContact CA-O 3.35Å; Y373-F413 HydrophobicContact CD1-CB 4.04Å; Y373-F413 HydrophobicContact CE1-CB 3.72Å; Y373-F413 HydrophobicContact CE1-CG 4.31Å; Y373-E416 WeakPolarHBondContact CE1-OE2 3.44Å; Y373-E416 VanDerWaalsContact CZ-OE2 3.3Å; Y373-E416 PolarHBondContact OH-OE2 3.26Å; Y373-L417 HydrophobicContact CD1-CD2 4.32Å; Y373-L417 HydrophobicContact CD1-CG 4.33Å; Y373-L417 HydrophobicContact CD2-CD2 4.06Å; Y373-L417 HydrophobicContact CG-CD2 3.89Å; Y373-L417 HydrophobicContact CG-CG 4.35Å; Y373-I429 WeakPolarHBondContact O-CA 3.17Å; Y373-N430 PolarHBondContact N-O 3.35Å; Y373-N430 PolarHBondContact O-N 2.88Å; Y373-I432 HydrophobicContact CD2-CD1 4.4Å; Y373-I432 HydrophobicContact CD2-CG1 4.33Å; Y373-I432 HydrophobicContact CE2-CB 3.88Å; Y373-I432 HydrophobicContact CE2-CD1 3.73Å; Y373-I432 HydrophobicContact CE2-CG1 3.76Å; Y373-Y434 VanDerWaalsContact OH-CE2 3.3Å; Y373-Y434 WeakPolarHBondContact OH-CE2 3.35Å; Y373-Y434 PolarHBondContact OH-OH 3.48Å
374	Y	95.2	Very high	87.7	Confident	15 Å²	15	54.4 Å²	54.4	6%	0.059	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	-178.2	174.2	61.3	-81.6	0	0	0	108.6	V376 N386 V407 S408 N409 E410 I429	Y374-V376 HydrophobicContact CD2-CB 4.05Å; Y374-V376 HydrophobicContact CE1-CB 4.24Å; Y374-V376 HydrophobicContact CE2-CB 3.56Å; Y374-V376 HydrophobicContact CE2-CG2 4.08Å; Y374-V376 PolarHBondContact O-N 3.38Å; Y374-N386 WeakPolarHBondContact CE2-OD1 3.22Å; Y374-V407 HydrophobicContact CE1-CB 3.76Å; Y374-V407 HydrophobicContact CE1-CG1 3.65Å; Y374-S408 PolarHBondContact N-O 2.86Å; Y374-N409 WeakPolarHBondContact O-CA 3.31Å; Y374-E410 PolarHBondContact O-N 2.81Å; Y374-I429 HydrophobicContact CD1-CD1 4.18Å; Y374-I429 HydrophobicContact CD1-CG1 4.36Å; Y374-I429 HydrophobicContact CD1-CG2 4.2Å; Y374-I429 HydrophobicContact CG-CD1 4.3Å; Y374-I429 HydrophobicContact CG-CG1 4.26Å
375	G	92.9	Very high	88.6	Confident	41 Å²	41	48.5 Å²	48.5	42%	0.423	31%	0.31	S	S	.	.			trans	-69.1	48.2	174.6	0	0	0	0	0	114.9	D377	G375-D377 PolarHBondContact O-N 3.29Å
376	V	91.7	Very high	89.5	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	29%	0.291	C	S	.	.			trans	-62.6	126.3	179.6	64.1	0	0	0	0	110.8	Y374 F378 V407 N409	Y374-V376 HydrophobicContact CD2-CB 4.05Å; Y374-V376 HydrophobicContact CE1-CB 4.24Å; Y374-V376 HydrophobicContact CE2-CB 3.56Å; Y374-V376 HydrophobicContact CE2-CG2 4.08Å; Y374-V376 PolarHBondContact O-N 3.38Å; V376-F378 HydrophobicContact CG2-CD2 4.26Å; V376-F378 HydrophobicContact CG2-CE2 3.67Å; V376-F378 HydrophobicContact CG2-CZ 4.19Å; V376-V407 HydrophobicContact CG2-CG2 3.96Å; V376-N409 HydrophobicContact CG1-CB 3.98Å; V376-N409 VanDerWaalsContact CG1-N 3.31Å; V376-N409 PolarHBondContact O-ND2 2.98Å
377	D	86.4	Confident	90	Very high	72 Å²	72	44.2 Å²	44.2	39%	0.385	27%	0.27	S	S	.	.			trans	-147.7	120.9	177	-176.4	-15.1	0	0	0	109.9	G375 G379 F382 N386	G375-D377 PolarHBondContact O-N 3.29Å; D377-G379 PolarHBondContact O-N 3.37Å; D377-G379 PolarHBondContact OD1-N 2.98Å; D377-F382 HydrophobicContact CB-CB 4.31Å; D377-F382 HydrophobicContact CB-CD2 3.84Å; D377-F382 HydrophobicContact CB-CE2 4.45Å; D377-F382 HydrophobicContact CB-CG 4.18Å; D377-F382 WeakPolarHBondContact O-CB 3.36Å; D377-N386 PolarHBondContact N-ND2 3.35Å; D377-N386 PolarHBondContact O-ND2 2.87Å
378	F	83.2	Confident	90.1	Very high	40 Å²	40	46.1 Å²	46.1	18%	0.175	28%	0.278	C	S	.	.			trans	-86.9	15.4	-179.9	-70.4	-87.5	0	0	0	114.2	L316 L317 H352 V376 N386	L316-F378 HydrophobicContact CB-CD1 4.19Å; L317-F378 HydrophobicContact CD2-CE1 3.72Å; L317-F378 HydrophobicContact CD2-CE2 4.01Å; L317-F378 HydrophobicContact CD2-CZ 3.41Å; L317-F378 VanDerWaalsContact CD2-CZ 3.41Å; H352-F378 HydrophobicContact CB-CE2 3.68Å; H352-F378 HydrophobicContact CB-CZ 4.25Å; H352-F378 AromaticContact CD2-CE2 3.94Å; H352-F378 AromaticContact CE1-CD2 3.89Å; H352-F378 AromaticContact CG-CE2 3.48Å; H352-F378 VanDerWaalsContact CG-CE2 3.48Å; H352-F378 AromaticContact ND1-CD2 3.61Å; H352-F378 AromaticContact ND1-CE2 3.59Å; V376-F378 HydrophobicContact CG2-CD2 4.26Å; V376-F378 HydrophobicContact CG2-CE2 3.67Å; V376-F378 HydrophobicContact CG2-CZ 4.19Å; F378-N386 HydrophobicContact CE1-CB 4.27Å
379	G	81.5	Confident	90.2	Very high	20 Å²	20	48.5 Å²	48.5	21%	0.206	28%	0.283	C	S	.	.	S	Bend	trans	-57	152.3	167.9	0	0	0	0	0	112.1	D377 D381 F382 V383	D377-G379 PolarHBondContact O-N 3.37Å; D377-G379 PolarHBondContact OD1-N 2.98Å; G379-D381 PolarHBondContact O-N 2.96Å; G379-F382 PolarHBondContact O-N 3.3Å; G379-V383 WeakPolarHBondContact O-CG2 2.93Å; G379-V383 PolarHBondContact O-N 3.49Å
380	P	77.6	Confident	90.1	Very high	124 Å²	124	48 Å²	48	81%	0.805	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-35.4	-173.3	-29.2	35	0	0	0	114.9	F382	P380-F382 VanDerWaalsContact C-N 3.31Å; P380-F382 PolarHBondContact O-N 2.84Å
381	D	82.2	Confident	90.1	Very high	151 Å²	151	49.8 Å²	49.8	81%	0.807	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.1	-176.5	-62	-33.9	0	0	0	113.9	G379	G379-D381 PolarHBondContact O-N 2.96Å
382	F	85.8	Confident	90	Very high	109 Å²	109	52.9 Å²	52.9	48%	0.478	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-5.6	-171.3	-59	-68.5	0	0	0	113.6	D377 G379 P380 A384 G385 N386	D377-F382 HydrophobicContact CB-CB 4.31Å; D377-F382 HydrophobicContact CB-CD2 3.84Å; D377-F382 HydrophobicContact CB-CE2 4.45Å; D377-F382 HydrophobicContact CB-CG 4.18Å; D377-F382 WeakPolarHBondContact O-CB 3.36Å; G379-F382 PolarHBondContact O-N 3.3Å; P380-F382 VanDerWaalsContact C-N 3.31Å; P380-F382 PolarHBondContact O-N 2.84Å; F382-A384 VanDerWaalsContact C-N 3.32Å; F382-A384 PolarHBondContact O-N 2.88Å; F382-G385 PolarHBondContact O-N 2.84Å; F382-N386 PolarHBondContact O-N 3.29Å; F382-N386 VanDerWaalsContact O-N 3.16Å
383	V	84.3	Confident	90	Very high	38 Å²	38	52.8 Å²	52.8	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-54.8	-44.2	-175.9	175.7	0	0	0	0	112.3	L316 G379 N386 T387	L316-V383 HydrophobicContact CD2-CG1 3.88Å; L316-V383 HydrophobicContact CD2-CG2 4.43Å; G379-V383 WeakPolarHBondContact O-CG2 2.93Å; G379-V383 PolarHBondContact O-N 3.49Å; V383-N386 PolarHBondContact O-N 3.43Å; V383-T387 VanDerWaalsContact O-CB 3.27Å; V383-T387 WeakPolarHBondContact O-CB 3.39Å; V383-T387 PolarHBondContact O-N 3.34Å; V383-T387 PolarHBondContact O-OG1 2.99Å
384	A	84.6	Confident	90	Very high	81 Å²	81	52.8 Å²	52.8	67%	0.669	30%	0.301	S	S	*	.	H	α-helix	trans	-62.9	-46.3	-176.9	0	0	0	0	0	112.6	F382 T387 Y388	F382-A384 VanDerWaalsContact C-N 3.32Å; F382-A384 PolarHBondContact O-N 2.88Å; A384-T387 PolarHBondContact O-N 2.8Å; A384-Y388 PolarHBondContact O-N 3.2Å
385	G	87	Confident	90.1	Very high	39 Å²	39	52.3 Å²	52.3	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-43.5	179	0	0	0	0	0	112.4	F382 T387 Y388 W389	F382-G385 PolarHBondContact O-N 2.84Å; G385-T387 PolarHBondContact O-N 3.08Å; G385-Y388 WeakPolarHBondContact O-CB 3.28Å; G385-Y388 PolarHBondContact O-N 3.35Å; G385-W389 PolarHBondContact O-N 2.97Å; G385-W389 VanDerWaalsContact O-N 3.15Å
386	N	89.6	Confident	90.4	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.043	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-39.6	176.2	-68.2	-18	0	0	0	112.6	Y374 D377 F378 F382 V383 Y388 W389 R390	Y374-N386 WeakPolarHBondContact CE2-OD1 3.22Å; D377-N386 PolarHBondContact N-ND2 3.35Å; D377-N386 PolarHBondContact O-ND2 2.87Å; F378-N386 HydrophobicContact CE1-CB 4.27Å; F382-N386 PolarHBondContact O-N 3.29Å; F382-N386 VanDerWaalsContact O-N 3.16Å; V383-N386 PolarHBondContact O-N 3.43Å; N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 PolarHBondContact O-N 2.93Å; N386-W389 PolarHBondContact O-N 3.21Å; N386-R390 VanDerWaalsContact O-CB 3.26Å; N386-R390 WeakPolarHBondContact O-CB 3.38Å; N386-R390 WeakPolarHBondContact O-CG 3.49Å; N386-R390 PolarHBondContact O-N 3.46Å
387	T	91.6	Very high	90.7	Very high	57 Å²	57	50.2 Å²	50.2	35%	0.35	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-42.8	177.5	-58.5	0	0	0	0	109.9	V383 A384 G385 E391	V383-T387 VanDerWaalsContact O-CB 3.27Å; V383-T387 WeakPolarHBondContact O-CB 3.39Å; V383-T387 PolarHBondContact O-N 3.34Å; V383-T387 PolarHBondContact O-OG1 2.99Å; A384-T387 PolarHBondContact O-N 2.8Å; G385-T387 PolarHBondContact O-N 3.08Å; T387-E391 HydrophobicContact CG2-CG 4.47Å; T387-E391 WeakPolarHBondContact O-CB 3.38Å; T387-E391 VanDerWaalsContact O-CG 3.28Å; T387-E391 WeakPolarHBondContact O-CG 3.49Å; T387-E391 PolarHBondContact O-N 3.26Å
388	Y	93.6	Very high	91.3	Very high	131 Å²	131	51.9 Å²	51.9	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-56.5	-56.1	175.8	176.9	-94.8	0	0	0	112.3	A384 G385 N386 R390 E391 K392	A384-Y388 PolarHBondContact O-N 3.2Å; G385-Y388 WeakPolarHBondContact O-CB 3.28Å; G385-Y388 PolarHBondContact O-N 3.35Å; N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 PolarHBondContact O-N 2.93Å; Y388-R390 PolarHBondContact O-N 2.87Å; Y388-E391 PolarHBondContact O-N 3.49Å; Y388-K392 HydrophobicContact CE1-CG 4.38Å; Y388-K392 WeakPolarHBondContact O-CG 3.39Å; Y388-K392 PolarHBondContact O-N 2.99Å
389	W	95.4	Very high	92	Very high	68 Å²	68	53.8 Å²	53.8	26%	0.258	30%	0.298	S	S	.	.	H	α-helix	trans	-67.4	-38.2	-178	-70.3	122.9	0	0	0	113	G385 N386 E391 K392 I393 I429 F451	G385-W389 PolarHBondContact O-N 2.97Å; G385-W389 VanDerWaalsContact O-N 3.15Å; N386-W389 PolarHBondContact O-N 3.21Å; W389-E391 VanDerWaalsContact C-N 3.34Å; W389-E391 PolarHBondContact O-N 3.12Å; W389-K392 WeakPolarHBondContact O-CB 3.38Å; W389-K392 PolarHBondContact O-N 3.03Å; W389-I393 WeakPolarHBondContact O-CG1 3.48Å; W389-I393 PolarHBondContact O-N 2.97Å; W389-I429 HydrophobicContact CB-CD1 4.33Å; W389-I429 HydrophobicContact CD2-CD1 3.48Å; W389-I429 VanDerWaalsContact CD2-CD1 3.48Å; W389-I429 HydrophobicContact CE3-CD1 3.83Å; W389-I429 HydrophobicContact CG-CD1 3.72Å; W389-I429 HydrophobicContact CH2-CD1 4.47Å; W389-I429 HydrophobicContact CZ2-CD1 4.2Å; W389-I429 HydrophobicContact CZ3-CD1 4.31Å; W389-F451 AromaticContact CE3-CD1 3.96Å; W389-F451 HydrophobicContact CE3-CD1 3.96Å; W389-F451 AromaticContact CE3-CE1 3.77Å; W389-F451 HydrophobicContact CE3-CE1 3.77Å; W389-F451 HydrophobicContact CH2-CD1 4.33Å; W389-F451 AromaticContact CZ3-CD1 3.68Å; W389-F451 HydrophobicContact CZ3-CD1 3.68Å; W389-F451 AromaticContact CZ3-CE1 3.9Å; W389-F451 HydrophobicContact CZ3-CE1 3.9Å
390	R	96.7	Very high	92.7	Very high	3 Å²	3	53.8 Å²	53.8	1%	0.011	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-37	176.6	-73	179.7	65.8	-100.8	-19.3	112.7	L316 L317 V350 N386 Y388 K392 I393 A394 V407	L316-R390 PolarHBondContact O-NH1 2.74Å; L317-R390 PolarHBondContact O-NH2 3.23Å; V350-R390 HydrophobicContact CG1-CG 4.23Å; V350-R390 PolarHBondContact O-NE 3.09Å; V350-R390 VanDerWaalsContact O-NE 3.15Å; V350-R390 PolarHBondContact O-NH2 3.16Å; N386-R390 VanDerWaalsContact O-CB 3.26Å; N386-R390 WeakPolarHBondContact O-CB 3.38Å; N386-R390 WeakPolarHBondContact O-CG 3.49Å; N386-R390 PolarHBondContact O-N 3.46Å; Y388-R390 PolarHBondContact O-N 2.87Å; R390-K392 VanDerWaalsContact C-N 3.34Å; R390-I393 PolarHBondContact O-N 3.01Å; R390-A394 WeakPolarHBondContact O-CB 3.25Å; R390-A394 PolarHBondContact O-N 2.77Å; R390-V407 HydrophobicContact CG-CG1 4.12Å; R390-V407 HydrophobicContact CG-CG2 4.32Å
391	E	96.8	Very high	93.5	Very high	41 Å²	41	52.3 Å²	52.3	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-39.6	173.7	-79.2	-73.9	154.7	0	0	111.7	T319 K320 Y321 T387 Y388 W389 A394 A395	T319-E391 VanDerWaalsContact CA-OE1 3.32Å; T319-E391 WeakPolarHBondContact CA-OE1 3.33Å; T319-E391 WeakPolarHBondContact CB-OE1 3.31Å; K320-E391 VanDerWaalsContact CD-OE2 3.32Å; K320-E391 WeakPolarHBondContact CD-OE2 3.46Å; K320-E391 WeakPolarHBondContact CE-OE2 3.45Å; K320-E391 WeakPolarHBondContact CG-OE2 3.48Å; K320-E391 PolarHBondContact N-OE1 3.18Å; K320-E391 IonicContact NZ-OE2 3.63Å; Y321-E391 WeakPolarHBondContact CE2-O 3.39Å; Y321-E391 WeakPolarHBondContact CE2-OE2 3.26Å; T387-E391 HydrophobicContact CG2-CG 4.47Å; T387-E391 WeakPolarHBondContact O-CB 3.38Å; T387-E391 VanDerWaalsContact O-CG 3.28Å; T387-E391 WeakPolarHBondContact O-CG 3.49Å; T387-E391 PolarHBondContact O-N 3.26Å; Y388-E391 PolarHBondContact O-N 3.49Å; W389-E391 VanDerWaalsContact C-N 3.34Å; W389-E391 PolarHBondContact O-N 3.12Å; E391-A394 PolarHBondContact O-N 2.78Å; E391-A395 PolarHBondContact O-N 3.46Å
392	K	97.5	Very high	94	Very high	65 Å²	65	48.3 Å²	48.3	28%	0.283	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-47.2	173.8	-67.6	-56.4	-161.7	157.1	0	112.3	Y388 W389 R390 A394 A395 E453	Y388-K392 HydrophobicContact CE1-CG 4.38Å; Y388-K392 WeakPolarHBondContact O-CG 3.39Å; Y388-K392 PolarHBondContact O-N 2.99Å; W389-K392 WeakPolarHBondContact O-CB 3.38Å; W389-K392 PolarHBondContact O-N 3.03Å; R390-K392 VanDerWaalsContact C-N 3.34Å; K392-A394 VanDerWaalsContact C-N 3.33Å; K392-A394 PolarHBondContact O-N 3.47Å; K392-A395 WeakPolarHBondContact O-CB 3.39Å; K392-A395 PolarHBondContact O-N 2.82Å; K392-E453 HydrophobicContact CD-CB 4.17Å; K392-E453 WeakPolarHBondContact CD-OE2 3.24Å; K392-E453 IonicContact NZ-OE2 2.76Å; K392-E453 PolarHBondContact NZ-OE2 3.43Å
393	I	98.5	Very high	94.5	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-40.7	177	-62.7	162.9	0	0	0	110.5	V350 A372 W389 R390 A395 V396 A397 F405 V407 F451 L456	V350-I393 HydrophobicContact CB-CG2 4.47Å; V350-I393 HydrophobicContact CG1-CB 4.2Å; V350-I393 HydrophobicContact CG1-CG2 3.85Å; V350-I393 HydrophobicContact CG2-CB 4.1Å; V350-I393 HydrophobicContact CG2-CG2 3.7Å; A372-I393 HydrophobicContact CB-CD1 3.69Å; W389-I393 WeakPolarHBondContact O-CG1 3.48Å; W389-I393 PolarHBondContact O-N 2.97Å; R390-I393 PolarHBondContact O-N 3.01Å; I393-A395 VanDerWaalsContact C-N 3.33Å; I393-A395 PolarHBondContact O-N 2.84Å; I393-V396 PolarHBondContact O-N 3.3Å; I393-V396 VanDerWaalsContact O-N 3.15Å; I393-A397 WeakPolarHBondContact O-CB 3.23Å; I393-A397 PolarHBondContact O-N 3.08Å; I393-F405 HydrophobicContact CG2-CB 4.42Å; I393-F405 HydrophobicContact CG2-CD1 3.92Å; I393-V407 HydrophobicContact CD1-CG1 3.65Å; I393-F451 HydrophobicContact CD1-CZ 4.4Å; I393-F451 HydrophobicContact CG1-CZ 3.96Å; I393-L456 HydrophobicContact CB-CD2 4.28Å; I393-L456 HydrophobicContact CG1-CD2 4.06Å; I393-L456 HydrophobicContact CG2-CD2 4.17Å
394	A	98.2	Very high	95.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66	-34	-179.4	0	0	0	0	0	113	T319 Y321 L349 V350 R390 E391 K392 V396 A397 K398	T319-A394 HydrophobicContact CG2-CB 3.76Å; Y321-A394 HydrophobicContact CD2-CB 3.65Å; Y321-A394 HydrophobicContact CE2-CB 4.26Å; L349-A394 HydrophobicContact CD2-CB 4.06Å; V350-A394 HydrophobicContact CG2-CB 3.71Å; R390-A394 WeakPolarHBondContact O-CB 3.25Å; R390-A394 PolarHBondContact O-N 2.77Å; E391-A394 PolarHBondContact O-N 2.78Å; K392-A394 VanDerWaalsContact C-N 3.33Å; K392-A394 PolarHBondContact O-N 3.47Å; A394-V396 PolarHBondContact O-N 3.32Å; A394-A397 PolarHBondContact O-N 3.17Å; A394-K398 PolarHBondContact O-N 2.7Å; A394-K398 VanDerWaalsContact O-N 3.07Å
395	A	98.2	Very high	95.7	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-35.4	173.8	0	0	0	0	0	112.2	Y321 E391 K392 I393 K398 E453	Y321-A395 HydrophobicContact CE1-CB 4.46Å; Y321-A395 HydrophobicContact CE2-CB 3.89Å; E391-A395 PolarHBondContact O-N 3.46Å; K392-A395 WeakPolarHBondContact O-CB 3.39Å; K392-A395 PolarHBondContact O-N 2.82Å; I393-A395 VanDerWaalsContact C-N 3.33Å; I393-A395 PolarHBondContact O-N 2.84Å; A395-K398 WeakPolarHBondContact O-CE 3.28Å; A395-K398 WeakPolarHBondContact O-CG 3.47Å; A395-E453 HydrophobicContact CB-CG 4.44Å
396	V	98.6	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-80.4	-47.4	172.8	-176.9	0	0	0	0	110.8	I393 A394 K398 V399 Y400 E453 L456 Q457 M460	I393-V396 PolarHBondContact O-N 3.3Å; I393-V396 VanDerWaalsContact O-N 3.15Å; A394-V396 PolarHBondContact O-N 3.32Å; V396-K398 VanDerWaalsContact C-N 3.26Å; V396-K398 PolarHBondContact O-N 2.88Å; V396-K398 VanDerWaalsContact O-N 3.16Å; V396-V399 WeakPolarHBondContact O-CB 3.45Å; V396-V399 PolarHBondContact O-N 3.41Å; V396-Y400 HydrophobicContact CG1-CD2 3.95Å; V396-Y400 HydrophobicContact CG1-CE2 3.84Å; V396-Y400 WeakPolarHBondContact O-CD2 3.48Å; V396-E453 HydrophobicContact CG2-CG 4.04Å; V396-L456 HydrophobicContact CB-CD2 4.05Å; V396-L456 HydrophobicContact CB-CG 4.26Å; V396-L456 HydrophobicContact CG1-CD2 4.41Å; V396-L456 HydrophobicContact CG1-CG 4.13Å; V396-L456 HydrophobicContact CG2-CB 4.3Å; V396-L456 HydrophobicContact CG2-CD2 3.99Å; V396-L456 HydrophobicContact CG2-CG 4.1Å; V396-Q457 HydrophobicContact CG2-CB 4.24Å; V396-M460 HydrophobicContact CG1-CB 4.22Å; V396-M460 HydrophobicContact CG1-CG 3.89Å
397	A	98.3	Very high	96.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-37.3	-174.7	0	0	0	0	0	113.6	L349 V350 I393 A394 V399 Y400 F405	L349-A397 HydrophobicContact CD1-CB 3.9Å; L349-A397 HydrophobicContact CD2-CB 4.5Å; L349-A397 HydrophobicContact CG-CB 3.94Å; V350-A397 HydrophobicContact CG2-CB 4.23Å; I393-A397 WeakPolarHBondContact O-CB 3.23Å; I393-A397 PolarHBondContact O-N 3.08Å; A394-A397 PolarHBondContact O-N 3.17Å; A397-V399 PolarHBondContact O-N 3.04Å; A397-V399 VanDerWaalsContact O-N 3.14Å; A397-Y400 CarbonylContact O-C 3.56Å; A397-Y400 PolarHBondContact O-N 3.17Å; A397-F405 HydrophobicContact CB-CB 4.02Å; A397-F405 HydrophobicContact CB-CD1 4.02Å; A397-F405 HydrophobicContact CB-CD2 3.4Å; A397-F405 VanDerWaalsContact CB-CD2 3.4Å; A397-F405 HydrophobicContact CB-CE1 4.32Å; A397-F405 HydrophobicContact CB-CE2 3.75Å; A397-F405 HydrophobicContact CB-CG 3.55Å; A397-F405 HydrophobicContact CB-CZ 4.19Å
398	K	97.7	Very high	96.9	Very high	107 Å²	107	34.9 Å²	34.9	47%	0.465	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.3	177.4	78.4	-171.3	-177.3	-175.9	0	113.5	Y321 L349 A394 A395 V396 Y400	Y321-K398 HydrophobicContact CD1-CD 3.54Å; Y321-K398 HydrophobicContact CE1-CD 4.05Å; Y321-K398 HydrophobicContact CG-CD 4.1Å; L349-K398 HydrophobicContact CD2-CB 4.22Å; A394-K398 PolarHBondContact O-N 2.7Å; A394-K398 VanDerWaalsContact O-N 3.07Å; A395-K398 WeakPolarHBondContact O-CE 3.28Å; A395-K398 WeakPolarHBondContact O-CG 3.47Å; V396-K398 VanDerWaalsContact C-N 3.26Å; V396-K398 PolarHBondContact O-N 2.88Å; V396-K398 VanDerWaalsContact O-N 3.16Å; K398-Y400 VanDerWaalsContact C-N 3.33Å
399	V	98	Very high	97	Very high	80 Å²	80	30.1 Å²	30.1	49%	0.485	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.9	-180	-174	0	0	0	0	111.1	V396 A397 P401	V396-V399 WeakPolarHBondContact O-CB 3.45Å; V396-V399 PolarHBondContact O-N 3.41Å; A397-V399 PolarHBondContact O-N 3.04Å; A397-V399 VanDerWaalsContact O-N 3.14Å; V399-P401 VanDerWaalsContact O-CD 3.26Å; V399-P401 WeakPolarHBondContact O-CD 3.49Å
400	Y	97.2	Very high	97	Very high	20 Å²	20	29.9 Å²	29.9	8%	0.078	16%	0.158	C	C	.	.			trans	-121.5	61.3	-174.7	-62.2	-79.8	0	0	0	112.4	V396 A397 K398 S402 Y403 Q457 M460 A461 N464	V396-Y400 HydrophobicContact CG1-CD2 3.95Å; V396-Y400 HydrophobicContact CG1-CE2 3.84Å; V396-Y400 WeakPolarHBondContact O-CD2 3.48Å; A397-Y400 CarbonylContact O-C 3.56Å; A397-Y400 PolarHBondContact O-N 3.17Å; K398-Y400 VanDerWaalsContact C-N 3.33Å; Y400-S402 PolarHBondContact O-N 3.46Å; Y400-Y403 PolarHBondContact O-N 3.17Å; Y400-Q457 PolarHBondContact OH-NE2 3.42Å; Y400-M460 HydrophobicContact CD1-CE 4.14Å; Y400-M460 HydrophobicContact CD2-CB 3.94Å; Y400-M460 HydrophobicContact CD2-CE 4.22Å; Y400-M460 HydrophobicContact CD2-CG 4.31Å; Y400-M460 HydrophobicContact CE1-CB 4.21Å; Y400-M460 HydrophobicContact CE2-CB 3.44Å; Y400-M460 VanDerWaalsContact CE2-CB 3.44Å; Y400-M460 HydrophobicContact CE2-CG 4.23Å; Y400-M460 HydrophobicContact CG-CE 3.93Å; Y400-A461 WeakPolarHBondContact OH-CA 3.5Å; Y400-A461 PolarHBondContact OH-N 2.57Å; Y400-N464 HydrophobicContact CD1-CB 4.29Å; Y400-N464 HydrophobicContact CE1-CB 3.89Å
401	P	93.8	Very high	96.8	Very high	93 Å²	93	36.9 Å²	36.9	60%	0.604	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.9	-176.5	29.7	-37.6	0	0	0	114.6	R367 V399 Y403	R367-P401 PolarHBondContact NE-O 3.23Å; R367-P401 PolarHBondContact NH2-O 3.26Å; V399-P401 VanDerWaalsContact O-CD 3.26Å; V399-P401 WeakPolarHBondContact O-CD 3.49Å; P401-Y403 VanDerWaalsContact C-N 3.32Å
402	S	92.9	Very high	96.5	Very high	66 Å²	66	38 Å²	38	46%	0.462	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.2	170.2	52.7	0	0	0	0	113.7	R367 Y400	R367-S402 VanDerWaalsContact CB-O 3.31Å; R367-S402 WeakPolarHBondContact CB-O 3.37Å; R367-S402 VanDerWaalsContact CG-O 3.31Å; R367-S402 WeakPolarHBondContact CG-O 3.48Å; Y400-S402 PolarHBondContact O-N 3.46Å
403	Y	96.3	Very high	96.4	Very high	33 Å²	33	34.9 Å²	34.9	13%	0.129	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.4	-178.6	-67.1	-101.2	0	0	0	110.8	R367 A368 V370 Y400 P401 F405 M460 L463	R367-Y403 VanDerWaalsContact NH2-C 3.27Å; R367-Y403 PolarHBondContact NH2-O 3.47Å; A368-Y403 HydrophobicContact CB-CD1 3.59Å; A368-Y403 HydrophobicContact CB-CE1 3.67Å; A368-Y403 CarbonylContact O-C 3.47Å; A368-Y403 VanDerWaalsContact O-CA 3.25Å; A368-Y403 WeakPolarHBondContact O-CA 3.38Å; V370-Y403 HydrophobicContact CG2-CD1 3.9Å; V370-Y403 HydrophobicContact CG2-CG 4.42Å; Y400-Y403 PolarHBondContact O-N 3.17Å; P401-Y403 VanDerWaalsContact C-N 3.32Å; Y403-F405 WeakPolarHBondContact O-CD2 3.2Å; Y403-M460 HydrophobicContact CD1-CE 4.07Å; Y403-M460 HydrophobicContact CD2-CE 4.07Å; Y403-M460 HydrophobicContact CE1-CE 4.27Å; Y403-M460 HydrophobicContact CE2-CE 4.27Å; Y403-M460 HydrophobicContact CG-CE 3.97Å; Y403-L463 HydrophobicContact CE1-CD2 3.99Å; Y403-L463 HydrophobicContact CE1-CG 4.48Å
404	L	96.6	Very high	96.2	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.073	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.6	165.4	-67.5	173.7	0	0	0	108.9	I347 Y362 R367 A368 L369 V370	I347-L404 HydrophobicContact CG2-CD2 4.12Å; Y362-L404 HydrophobicContact CD1-CD1 4.45Å; R367-L404 HydrophobicContact CB-CD1 4.35Å; R367-L404 HydrophobicContact CB-CG 3.94Å; A368-L404 PolarHBondContact O-N 2.83Å; L369-L404 CarbonylContact C-O 3.6Å; L369-L404 WeakPolarHBondContact CA-O 3.4Å; L369-L404 HydrophobicContact CD1-CB 3.75Å; V370-L404 PolarHBondContact N-O 2.95Å
405	F	98.1	Very high	96	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140	173.2	-73.2	-104.9	0	0	0	110	L349 V350 G351 V370 I393 A397 Y403 M460	L349-F405 WeakPolarHBondContact O-CB 3.42Å; V350-F405 WeakPolarHBondContact CA-O 3.48Å; V350-F405 HydrophobicContact CG2-CB 4.24Å; G351-F405 PolarHBondContact N-O 3.48Å; G351-F405 VanDerWaalsContact N-O 3.1Å; V370-F405 HydrophobicContact CB-CD1 3.72Å; V370-F405 HydrophobicContact CB-CE1 3.75Å; V370-F405 HydrophobicContact CB-CG 4.26Å; V370-F405 HydrophobicContact CB-CZ 4.3Å; V370-F405 HydrophobicContact CG1-CD1 3.93Å; V370-F405 HydrophobicContact CG1-CE1 3.78Å; V370-F405 HydrophobicContact CG2-CD1 4.44Å; V370-F405 HydrophobicContact CG2-CE1 4.05Å; V370-F405 HydrophobicContact CG2-CZ 4.14Å; V370-F405 CarbonylContact O-C 3.48Å; V370-F405 VanDerWaalsContact O-CA 3.31Å; V370-F405 WeakPolarHBondContact O-CA 3.1Å; I393-F405 HydrophobicContact CG2-CB 4.42Å; I393-F405 HydrophobicContact CG2-CD1 3.92Å; A397-F405 HydrophobicContact CB-CB 4.02Å; A397-F405 HydrophobicContact CB-CD1 4.02Å; A397-F405 HydrophobicContact CB-CD2 3.4Å; A397-F405 VanDerWaalsContact CB-CD2 3.4Å; A397-F405 HydrophobicContact CB-CE1 4.32Å; A397-F405 HydrophobicContact CB-CE2 3.75Å; A397-F405 HydrophobicContact CB-CG 3.55Å; A397-F405 HydrophobicContact CB-CZ 4.19Å; Y403-F405 WeakPolarHBondContact O-CD2 3.2Å; F405-M460 HydrophobicContact CE1-CE 4.46Å; F405-M460 HydrophobicContact CE1-CG 4.3Å; F405-M460 HydrophobicContact CE1-SD 4.03Å; F405-M460 HydrophobicContact CZ-CE 3.73Å; F405-M460 HydrophobicContact CZ-CG 4.21Å; F405-M460 HydrophobicContact CZ-SD 3.89Å
406	A	97.7	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160.8	176.1	0	0	0	0	0	112	G351 R353 Y362 L369 V370 V371 A372	G351-A406 CarbonylContact O-C 3.54Å; G351-A406 WeakPolarHBondContact O-CA 3.38Å; G351-A406 WeakPolarHBondContact O-CB 2.98Å; R353-A406 HydrophobicContact CB-CB 3.84Å; Y362-A406 HydrophobicContact CD1-CB 4.28Å; Y362-A406 HydrophobicContact CE1-CB 3.74Å; L369-A406 HydrophobicContact CD1-CB 4.28Å; V370-A406 PolarHBondContact O-N 3.05Å; V371-A406 WeakPolarHBondContact CA-O 3.46Å; A372-A406 PolarHBondContact N-O 2.91Å
407	V	98	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.2	164.2	-62.5	0	0	0	0	109.2	V350 G351 R353 A372 Y374 V376 R390 I393	V350-V407 HydrophobicContact CG1-CG1 3.87Å; G351-V407 PolarHBondContact O-N 3.17Å; R353-V407 PolarHBondContact N-O 3.39Å; A372-V407 HydrophobicContact CB-CG1 4.41Å; A372-V407 CarbonylContact O-C 3.44Å; A372-V407 VanDerWaalsContact O-CA 3.28Å; A372-V407 WeakPolarHBondContact O-CA 3.37Å; Y374-V407 HydrophobicContact CE1-CB 3.76Å; Y374-V407 HydrophobicContact CE1-CG1 3.65Å; V376-V407 HydrophobicContact CG2-CG2 3.96Å; R390-V407 HydrophobicContact CG-CG1 4.12Å; R390-V407 HydrophobicContact CG-CG2 4.32Å; I393-V407 HydrophobicContact CD1-CG1 3.65Å
408	S	96.8	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.4	180	-79.2	0	0	0	0	111.1	R353 V371 A372 Y373 Y374 E410	R353-S408 WeakPolarHBondContact CB-OG 3.39Å; R353-S408 PolarHBondContact NE-OG 3.21Å; R353-S408 PolarHBondContact NH2-OG 2.69Å; R353-S408 PolarHBondContact O-OG 2.98Å; V371-S408 WeakPolarHBondContact CG1-OG 3.36Å; A372-S408 PolarHBondContact O-N 2.91Å; Y373-S408 WeakPolarHBondContact CA-O 3.35Å; Y374-S408 PolarHBondContact N-O 2.86Å; S408-E410 PolarHBondContact O-N 2.77Å
409	N	95.9	Very high	95	Very high	31 Å²	31	46.7 Å²	46.7	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	121.8	175.7	-173.4	-68.8	0	0	0	109.9	Y374 V376 Q411 E412 F413	Y374-N409 WeakPolarHBondContact O-CA 3.31Å; V376-N409 HydrophobicContact CG1-CB 3.98Å; V376-N409 VanDerWaalsContact CG1-N 3.31Å; V376-N409 PolarHBondContact O-ND2 2.98Å; N409-Q411 PolarHBondContact O-N 2.97Å; N409-Q411 WeakPolarHBondContact OD1-CA 3.46Å; N409-Q411 WeakPolarHBondContact OD1-CB 3.39Å; N409-Q411 PolarHBondContact OD1-N 3.16Å; N409-E412 HydrophobicContact CB-CB 3.96Å; N409-E412 PolarHBondContact O-N 3.09Å; N409-E412 PolarHBondContact OD1-N 2.97Å; N409-F413 WeakPolarHBondContact O-CD2 3.38Å; N409-F413 PolarHBondContact O-N 3.38Å; N409-F413 VanDerWaalsContact O-N 3.1Å
410	E	94.9	Very high	94.7	Very high	63 Å²	63	43 Å²	43	29%	0.294	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.4	-176.8	67	-176.4	176.6	0	0	113.7	Y374 S408 F413 D414 L417	Y374-E410 PolarHBondContact O-N 2.81Å; S408-E410 PolarHBondContact O-N 2.77Å; E410-F413 CarbonylContact O-C 3.55Å; E410-D414 VanDerWaalsContact O-CA 3.27Å; E410-D414 WeakPolarHBondContact O-CA 3.32Å; E410-D414 PolarHBondContact O-N 3.5Å; E410-L417 HydrophobicContact CB-CD1 3.82Å
411	Q	92.8	Very high	94.3	Very high	150 Å²	150	47.8 Å²	47.8	70%	0.701	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-36.2	178	-57.5	179.2	10.3	0	0	111	N409 F413	N409-Q411 PolarHBondContact O-N 2.97Å; N409-Q411 WeakPolarHBondContact OD1-CA 3.46Å; N409-Q411 WeakPolarHBondContact OD1-CB 3.39Å; N409-Q411 PolarHBondContact OD1-N 3.16Å; Q411-F413 VanDerWaalsContact C-N 3.27Å; Q411-F413 PolarHBondContact O-N 2.95Å
412	E	91.4	Very high	94.4	Very high	65 Å²	65	43.4 Å²	43.4	30%	0.304	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.8	175.7	-170	-175.8	-179.1	0	0	112.2	R355 N409	R355-E412 WeakPolarHBondContact CB-OE1 3.38Å; R355-E412 HydrophobicContact CG-CG 3.85Å; R355-E412 VanDerWaalsContact CG-OE1 3.25Å; R355-E412 WeakPolarHBondContact CG-OE1 3.49Å; R355-E412 PolarHBondContact N-OE1 2.93Å; R355-E412 PolarHBondContact NE-O 2.99Å; R355-E412 PolarHBondContact NH2-O 2.79Å; N409-E412 HydrophobicContact CB-CB 3.96Å; N409-E412 PolarHBondContact O-N 3.09Å; N409-E412 PolarHBondContact OD1-N 2.97Å
413	F	94.6	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	28	-175.8	-66.3	-82.1	0	0	0	114	R353 R355 E358 Y373 N409 E410 Q411 N415 E416 L417	R353-F413 HydrophobicContact CG-CZ 4.45Å; R353-F413 VanDerWaalsContact CZ-CE1 3.47Å; R353-F413 WeakPolarHBondContact O-CE2 3.41Å; R355-F413 HydrophobicContact CG-CE1 4.41Å; R355-F413 HydrophobicContact CG-CZ 4.27Å; E358-F413 VanDerWaalsContact OE2-CE1 3.31Å; E358-F413 WeakPolarHBondContact OE2-CE1 3.28Å; Y373-F413 HydrophobicContact CD1-CB 4.04Å; Y373-F413 HydrophobicContact CE1-CB 3.72Å; Y373-F413 HydrophobicContact CE1-CG 4.31Å; N409-F413 WeakPolarHBondContact O-CD2 3.38Å; N409-F413 PolarHBondContact O-N 3.38Å; N409-F413 VanDerWaalsContact O-N 3.1Å; E410-F413 CarbonylContact O-C 3.55Å; Q411-F413 VanDerWaalsContact C-N 3.27Å; Q411-F413 PolarHBondContact O-N 2.95Å; F413-N415 PolarHBondContact O-N 2.9Å; F413-N415 VanDerWaalsContact O-N 3.15Å; F413-E416 HydrophobicContact CD1-CG 4.46Å; F413-E416 VanDerWaalsContact CD1-OE1 3.23Å; F413-E416 WeakPolarHBondContact CD1-OE1 3.47Å; F413-E416 PolarHBondContact O-N 3.02Å; F413-L417 PolarHBondContact O-N 3.4Å
414	D	94.6	Very high	93.8	Very high	66 Å²	66	49.1 Å²	49.1	35%	0.353	24%	0.235	S	C	.	.	H	α-helix	trans	-56.4	-34.5	-176.4	78	-42.6	0	0	0	113	E410 E416 L417 K418	E410-D414 VanDerWaalsContact O-CA 3.27Å; E410-D414 WeakPolarHBondContact O-CA 3.32Å; E410-D414 PolarHBondContact O-N 3.5Å; D414-E416 PolarHBondContact O-N 3.09Å; D414-L417 PolarHBondContact O-N 3.09Å; D414-K418 WeakPolarHBondContact O-CB 3.24Å; D414-K418 WeakPolarHBondContact O-CG 3.37Å; D414-K418 PolarHBondContact O-N 2.84Å; D414-K418 IonicContact OD2-NZ 2.71Å; D414-K418 PolarHBondContact OD2-NZ 3.07Å
415	N	93.2	Very high	93.5	Very high	59 Å²	59	49.8 Å²	49.8	32%	0.316	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-39.5	177.4	71.6	-56.3	0	0	0	112.5	R355 F413 K418 E419	R355-N415 PolarHBondContact NH2-OD1 2.88Å; F413-N415 PolarHBondContact O-N 2.9Å; F413-N415 VanDerWaalsContact O-N 3.15Å; N415-K418 PolarHBondContact O-N 3.05Å; N415-E419 WeakPolarHBondContact O-CB 3.5Å; N415-E419 VanDerWaalsContact O-CG 3.27Å; N415-E419 WeakPolarHBondContact O-CG 3.24Å; N415-E419 PolarHBondContact O-N 3.21Å
416	E	94.7	Very high	93.1	Very high	23 Å²	23	53.3 Å²	53.3	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-41.3	178.7	-66.9	179	-171.9	0	0	110.8	R353 R355 Y373 F413 D414 E419 V420 Y434	R353-E416 IonicContact CZ-OE1 3.4Å; R353-E416 IonicContact CZ-OE2 3.58Å; R353-E416 IonicContact NH1-OE1 3.66Å; R353-E416 PolarHBondContact NH1-OE1 3.11Å; R353-E416 IonicContact NH1-OE2 2.64Å; R353-E416 IonicContact NH2-OE1 3.34Å; R353-E416 PolarHBondContact NH2-OE1 3.2Å; R353-E416 IonicContact NH2-OE2 3.52Å; R353-E416 PolarHBondContact NH2-OE2 3.48Å; R355-E416 IonicContact NH1-OE1 3.65Å; Y373-E416 WeakPolarHBondContact CE1-OE2 3.44Å; Y373-E416 VanDerWaalsContact CZ-OE2 3.3Å; Y373-E416 PolarHBondContact OH-OE2 3.26Å; F413-E416 HydrophobicContact CD1-CG 4.46Å; F413-E416 VanDerWaalsContact CD1-OE1 3.23Å; F413-E416 WeakPolarHBondContact CD1-OE1 3.47Å; F413-E416 PolarHBondContact O-N 3.02Å; D414-E416 PolarHBondContact O-N 3.09Å; E416-E419 PolarHBondContact O-N 3.31Å; E416-V420 WeakPolarHBondContact O-CG2 3.26Å; E416-V420 PolarHBondContact O-N 2.72Å; E416-Y434 PolarHBondContact OE2-OH 3.46Å; E416-Y434 VanDerWaalsContact OE2-OH 3.06Å
417	L	95.7	Very high	92.8	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-46.4	175.6	-66.8	171.8	0	0	0	111.5	Y373 E410 F413 D414 E419 V420 R421 L422 D423 N430 I432	Y373-L417 HydrophobicContact CD1-CD2 4.32Å; Y373-L417 HydrophobicContact CD1-CG 4.33Å; Y373-L417 HydrophobicContact CD2-CD2 4.06Å; Y373-L417 HydrophobicContact CG-CD2 3.89Å; Y373-L417 HydrophobicContact CG-CG 4.35Å; E410-L417 HydrophobicContact CB-CD1 3.82Å; F413-L417 PolarHBondContact O-N 3.4Å; D414-L417 PolarHBondContact O-N 3.09Å; L417-E419 VanDerWaalsContact C-N 3.34Å; L417-E419 PolarHBondContact O-N 2.86Å; L417-V420 CarbonylContact O-C 3.47Å; L417-V420 WeakPolarHBondContact O-CG2 3.24Å; L417-V420 PolarHBondContact O-N 3.23Å; L417-R421 PolarHBondContact O-N 3.26Å; L417-L422 HydrophobicContact CB-CB 4.38Å; L417-L422 HydrophobicContact CD2-CB 3.87Å; L417-L422 HydrophobicContact CD2-CD1 4.31Å; L417-L422 PolarHBondContact O-N 2.94Å; L417-D423 HydrophobicContact CB-CB 4.41Å; L417-N430 HydrophobicContact CD2-CB 3.75Å; L417-I432 HydrophobicContact CD2-CD1 4.19Å
418	K	92.6	Very high	92.5	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	32%	0.321	S	S	.	.	H	α-helix	trans	-57.8	-44.3	175.7	-76.9	168.9	-179.6	164.4	0	112.5	D414 N415 V420 R421 D423	D414-K418 WeakPolarHBondContact O-CB 3.24Å; D414-K418 WeakPolarHBondContact O-CG 3.37Å; D414-K418 PolarHBondContact O-N 2.84Å; D414-K418 IonicContact OD2-NZ 2.71Å; D414-K418 PolarHBondContact OD2-NZ 3.07Å; N415-K418 PolarHBondContact O-N 3.05Å; K418-V420 PolarHBondContact O-N 2.81Å; K418-R421 PolarHBondContact O-N 2.91Å; K418-R421 VanDerWaalsContact O-N 3.13Å; K418-D423 WeakPolarHBondContact CA-OD1 3.5Å; K418-D423 HydrophobicContact CB-CB 4.48Å; K418-D423 HydrophobicContact CG-CB 3.62Å; K418-D423 VanDerWaalsContact CG-CG 3.5Å; K418-D423 WeakPolarHBondContact CG-OD2 3.29Å
419	E	89.3	Confident	92.5	Very high	101 Å²	101	61.7 Å²	61.7	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-32.5	-179.3	-79.5	-179.8	-161	0	0	112.7	N415 E416 L417 R440 F471	N415-E419 WeakPolarHBondContact O-CB 3.5Å; N415-E419 VanDerWaalsContact O-CG 3.27Å; N415-E419 WeakPolarHBondContact O-CG 3.24Å; N415-E419 PolarHBondContact O-N 3.21Å; E416-E419 PolarHBondContact O-N 3.31Å; L417-E419 VanDerWaalsContact C-N 3.34Å; L417-E419 PolarHBondContact O-N 2.86Å; E419-R440 IonicContact OE2-CZ 3.37Å; E419-R440 IonicContact OE2-NH1 3.9Å; E419-R440 PolarHBondContact OE2-NH1 2.92Å; E419-F471 WeakPolarHBondContact O-CE1 3.48Å; E419-F471 WeakPolarHBondContact O-CZ 3.34Å
420	V	91.6	Very high	92.6	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-99.5	4.2	177.4	-56.4	0	0	0	0	114.5	E416 L417 K418 L422 I432 R440 K442 F471	E416-V420 WeakPolarHBondContact O-CG2 3.26Å; E416-V420 PolarHBondContact O-N 2.72Å; L417-V420 CarbonylContact O-C 3.47Å; L417-V420 WeakPolarHBondContact O-CG2 3.24Å; L417-V420 PolarHBondContact O-N 3.23Å; K418-V420 PolarHBondContact O-N 2.81Å; V420-L422 HydrophobicContact CG2-CB 4.11Å; V420-L422 HydrophobicContact CG2-CD1 3.66Å; V420-L422 HydrophobicContact CG2-CG 3.74Å; V420-I432 HydrophobicContact CG1-CD1 4.43Å; V420-I432 HydrophobicContact CG2-CD1 3.45Å; V420-I432 VanDerWaalsContact CG2-CD1 3.45Å; V420-I432 HydrophobicContact CG2-CG1 4.03Å; V420-R440 HydrophobicContact CG1-CB 4.38Å; V420-K442 WeakPolarHBondContact O-CD 3.49Å; V420-K442 PolarHBondContact O-NZ 3.04Å; V420-K442 VanDerWaalsContact O-NZ 3.1Å; V420-F471 VanDerWaalsContact CA-CZ 3.5Å; V420-F471 HydrophobicContact CB-CD1 4.24Å; V420-F471 HydrophobicContact CB-CD2 4.17Å; V420-F471 HydrophobicContact CB-CE1 4.36Å; V420-F471 HydrophobicContact CB-CE2 4.3Å; V420-F471 HydrophobicContact CB-CG 4.14Å; V420-F471 HydrophobicContact CB-CZ 4.4Å; V420-F471 HydrophobicContact CG1-CD1 3.85Å; V420-F471 HydrophobicContact CG1-CE1 4.22Å; V420-F471 HydrophobicContact CG1-CG 4.06Å; V420-F471 VanDerWaalsContact O-CE2 3.25Å; V420-F471 WeakPolarHBondContact O-CE2 3.38Å
421	R	89.6	Confident	92.8	Very high	122 Å²	122	57.6 Å²	57.6	46%	0.46	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	58.9	-176	-55	179.4	177.6	158.9	2.9	112	L417 K418 K442 S474	L417-R421 PolarHBondContact O-N 3.26Å; K418-R421 PolarHBondContact O-N 2.91Å; K418-R421 VanDerWaalsContact O-N 3.13Å; R421-K442 PolarHBondContact O-NZ 3.32Å; R421-S474 VanDerWaalsContact CZ-O 3.23Å; R421-S474 PolarHBondContact NH1-O 2.83Å; R421-S474 PolarHBondContact NH2-O 2.83Å
422	L	94.2	Very high	93.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.269	C	S	.	.			trans	-120.8	-1.3	170.7	-71.2	179.3	0	0	0	112.2	L417 V420 D424 S425 N430 I432 K442 P445	L417-L422 HydrophobicContact CB-CB 4.38Å; L417-L422 HydrophobicContact CD2-CB 3.87Å; L417-L422 HydrophobicContact CD2-CD1 4.31Å; L417-L422 PolarHBondContact O-N 2.94Å; V420-L422 HydrophobicContact CG2-CB 4.11Å; V420-L422 HydrophobicContact CG2-CD1 3.66Å; V420-L422 HydrophobicContact CG2-CG 3.74Å; L422-D424 PolarHBondContact O-N 3.48Å; L422-S425 WeakPolarHBondContact O-CB 3.39Å; L422-S425 PolarHBondContact O-N 3.49Å; L422-S425 PolarHBondContact O-OG 2.98Å; L422-N430 HydrophobicContact CB-CB 4.44Å; L422-N430 HydrophobicContact CD1-CB 4.12Å; L422-N430 PolarHBondContact O-ND2 2.87Å; L422-I432 HydrophobicContact CD1-CD1 4.25Å; L422-I432 HydrophobicContact CD1-CG1 3.79Å; L422-K442 HydrophobicContact CD1-CB 3.97Å; L422-K442 HydrophobicContact CD1-CD 4.46Å; L422-K442 HydrophobicContact CD2-CD 4Å; L422-K442 HydrophobicContact CG-CD 4.13Å; L422-P445 HydrophobicContact CD2-CG 4.22Å
423	D	90.4	Very high	93.4	Very high	88 Å²	88	47.5 Å²	47.5	47%	0.471	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.1	179.3	58.2	-58.8	0	0	0	113.6	L417 K418	L417-D423 HydrophobicContact CB-CB 4.41Å; K418-D423 WeakPolarHBondContact CA-OD1 3.5Å; K418-D423 HydrophobicContact CB-CB 4.48Å; K418-D423 HydrophobicContact CG-CB 3.62Å; K418-D423 VanDerWaalsContact CG-CG 3.5Å; K418-D423 WeakPolarHBondContact CG-OD2 3.29Å
424	D	87.4	Confident	93.4	Very high	131 Å²	131	49.7 Å²	49.7	70%	0.701	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	22.2	174.9	67.1	-18.1	0	0	0	112.7	L422 G426	L422-D424 PolarHBondContact O-N 3.48Å; D424-G426 PolarHBondContact O-N 3.31Å
425	S	89.9	Confident	93.3	Very high	28 Å²	28	47.4 Å²	47.4	20%	0.196	26%	0.256	C	S	.	.			trans	-64.6	-24.5	-173.7	67.7	0	0	0	0	114.3	L422 M427 N430	L422-S425 WeakPolarHBondContact O-CB 3.39Å; L422-S425 PolarHBondContact O-N 3.49Å; L422-S425 PolarHBondContact O-OG 2.98Å; S425-M427 PolarHBondContact O-N 3.34Å; S425-M427 WeakPolarHBondContact OG-CB 3.31Å; S425-M427 PolarHBondContact OG-N 3.3Å; S425-N430 WeakPolarHBondContact CB-OD1 3.34Å; S425-N430 VanDerWaalsContact OG-CG 3.32Å; S425-N430 PolarHBondContact OG-ND2 3.15Å; S425-N430 VanDerWaalsContact OG-ND2 3.16Å; S425-N430 PolarHBondContact OG-OD1 3.15Å
426	G	88.9	Confident	93.2	Very high	76 Å²	76	49.1 Å²	49.1	78%	0.784	27%	0.268	S	S	*	.			trans	74.1	4.7	-172.3	0	0	0	0	0	114.4	D424	D424-G426 PolarHBondContact O-N 3.31Å
427	M	91.6	Very high	92.8	Very high	27 Å²	27	52.3 Å²	52.3	13%	0.133	29%	0.286	C	S	.	.			trans	-83.9	138.6	177.2	-62	-69.9	-67.2	0	0	111	S425 I429 P445 E450 F451	S425-M427 PolarHBondContact O-N 3.34Å; S425-M427 WeakPolarHBondContact OG-CB 3.31Å; S425-M427 PolarHBondContact OG-N 3.3Å; M427-I429 VanDerWaalsContact C-N 3.26Å; M427-I429 PolarHBondContact O-N 2.83Å; M427-P445 HydrophobicContact CG-CB 3.93Å; M427-P445 HydrophobicContact SD-CB 4.31Å; M427-E450 VanDerWaalsContact CE-C 3.43Å; M427-F451 HydrophobicContact CE-CB 4.29Å
428	D	92.8	Very high	92.3	Very high	144 Å²	144	54.6 Å²	54.6	77%	0.77	31%	0.312	S	S	*	.	S	Bend	trans	-66.9	-29.5	173	-70.4	-28.5	0	0	0	112.6
429	I	97.2	Very high	92.1	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.026	31%	0.312	C	S	.	.	S	Bend	trans	-136.5	119.3	176.1	-54.3	-169.6	0	0	0	108.8	A372 Y373 Y374 W389 M427 F451	A372-I429 HydrophobicContact CB-CG2 3.86Å; Y373-I429 WeakPolarHBondContact O-CA 3.17Å; Y374-I429 HydrophobicContact CD1-CD1 4.18Å; Y374-I429 HydrophobicContact CD1-CG1 4.36Å; Y374-I429 HydrophobicContact CD1-CG2 4.2Å; Y374-I429 HydrophobicContact CG-CD1 4.3Å; Y374-I429 HydrophobicContact CG-CG1 4.26Å; W389-I429 HydrophobicContact CB-CD1 4.33Å; W389-I429 HydrophobicContact CD2-CD1 3.48Å; W389-I429 VanDerWaalsContact CD2-CD1 3.48Å; W389-I429 HydrophobicContact CE3-CD1 3.83Å; W389-I429 HydrophobicContact CG-CD1 3.72Å; W389-I429 HydrophobicContact CH2-CD1 4.47Å; W389-I429 HydrophobicContact CZ2-CD1 4.2Å; W389-I429 HydrophobicContact CZ3-CD1 4.31Å; M427-I429 VanDerWaalsContact C-N 3.26Å; M427-I429 PolarHBondContact O-N 2.83Å; I429-F451 HydrophobicContact CB-CB 3.83Å; I429-F451 HydrophobicContact CB-CD1 3.75Å; I429-F451 HydrophobicContact CB-CD2 4.13Å; I429-F451 HydrophobicContact CB-CE1 4.33Å; I429-F451 HydrophobicContact CB-CG 3.62Å; I429-F451 HydrophobicContact CD1-CD1 3.57Å; I429-F451 HydrophobicContact CD1-CE1 3.74Å; I429-F451 HydrophobicContact CD1-CG 4.37Å; I429-F451 HydrophobicContact CG1-CD1 4Å; I429-F451 HydrophobicContact CG1-CG 4.34Å; I429-F451 HydrophobicContact CG2-CD1 4Å; I429-F451 HydrophobicContact CG2-CD2 3.97Å; I429-F451 HydrophobicContact CG2-CE1 4.1Å; I429-F451 HydrophobicContact CG2-CE2 4.09Å; I429-F451 HydrophobicContact CG2-CG 3.92Å; I429-F451 HydrophobicContact CG2-CZ 4.14Å
430	N	98.1	Very high	92.4	Very high	8 Å²	8	53 Å²	53	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	146.6	174.3	-76.1	-65.5	0	0	0	110.5	A372 Y373 L417 L422 S425	A372-N430 CarbonylContact C-O 3.59Å; A372-N430 WeakPolarHBondContact CA-O 3.36Å; Y373-N430 PolarHBondContact N-O 3.35Å; Y373-N430 PolarHBondContact O-N 2.88Å; L417-N430 HydrophobicContact CD2-CB 3.75Å; L422-N430 HydrophobicContact CB-CB 4.44Å; L422-N430 HydrophobicContact CD1-CB 4.12Å; L422-N430 PolarHBondContact O-ND2 2.87Å; S425-N430 WeakPolarHBondContact CB-OD1 3.34Å; S425-N430 VanDerWaalsContact OG-CG 3.32Å; S425-N430 PolarHBondContact OG-ND2 3.15Å; S425-N430 VanDerWaalsContact OG-ND2 3.16Å; S425-N430 PolarHBondContact OG-OD1 3.15Å
431	V	98.5	Very high	92.6	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.3	178	-178	0	0	0	0	111.4	V370 V371 A372 K442 M443 F451 L456 F459	V370-V431 HydrophobicContact CG1-CG1 3.78Å; V371-V431 WeakPolarHBondContact O-CA 3.24Å; A372-V431 HydrophobicContact CB-CG2 4.36Å; V431-K442 WeakPolarHBondContact O-CA 3.4Å; V431-M443 HydrophobicContact CB-CB 3.82Å; V431-M443 HydrophobicContact CB-SD 4.14Å; V431-M443 HydrophobicContact CG2-SD 3.95Å; V431-M443 PolarHBondContact O-N 2.86Å; V431-F451 HydrophobicContact CG2-CD2 3.84Å; V431-F451 HydrophobicContact CG2-CE2 3.54Å; V431-L456 HydrophobicContact CG1-CD1 4.31Å; V431-L456 HydrophobicContact CG2-CD1 4.46Å; V431-F459 HydrophobicContact CG1-CD1 4.24Å; V431-F459 HydrophobicContact CG1-CE1 3.84Å
432	I	98.3	Very high	92.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.4	172.1	-50.7	172.9	0	0	0	108.9	V371 Y373 L417 V420 L422 Y434 R440 F441	V371-I432 PolarHBondContact N-O 2.91Å; V371-I432 PolarHBondContact O-N 3.2Å; Y373-I432 HydrophobicContact CD2-CD1 4.4Å; Y373-I432 HydrophobicContact CD2-CG1 4.33Å; Y373-I432 HydrophobicContact CE2-CB 3.88Å; Y373-I432 HydrophobicContact CE2-CD1 3.73Å; Y373-I432 HydrophobicContact CE2-CG1 3.76Å; L417-I432 HydrophobicContact CD2-CD1 4.19Å; V420-I432 HydrophobicContact CG1-CD1 4.43Å; V420-I432 HydrophobicContact CG2-CD1 3.45Å; V420-I432 VanDerWaalsContact CG2-CD1 3.45Å; V420-I432 HydrophobicContact CG2-CG1 4.03Å; L422-I432 HydrophobicContact CD1-CD1 4.25Å; L422-I432 HydrophobicContact CD1-CG1 3.79Å; I432-Y434 HydrophobicContact CB-CE2 3.87Å; I432-Y434 HydrophobicContact CG2-CD2 4.2Å; I432-Y434 HydrophobicContact CG2-CE1 4.06Å; I432-Y434 HydrophobicContact CG2-CE2 3.65Å; I432-R440 HydrophobicContact CG2-CB 4.42Å; I432-F441 CarbonylContact C-O 3.59Å; I432-F441 WeakPolarHBondContact CA-O 3.44Å
433	A	97.8	Very high	93	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.4	165.4	0	0	0	0	0	111.2	L369 V370 R440 F441 F459 L463	L369-A433 CarbonylContact O-C 3.58Å; L369-A433 WeakPolarHBondContact O-CA 3.41Å; V370-A433 HydrophobicContact CG2-CB 4.01Å; A433-R440 CarbonylContact O-C 3.32Å; A433-R440 WeakPolarHBondContact O-CA 3.46Å; A433-F441 HydrophobicContact CB-CB 4.29Å; A433-F441 PolarHBondContact N-O 3.34Å; A433-F441 PolarHBondContact O-N 2.9Å; A433-F459 HydrophobicContact CB-CE1 4.44Å; A433-F459 HydrophobicContact CB-CZ 4.38Å; A433-L463 HydrophobicContact CB-CD1 4.43Å; A433-L463 HydrophobicContact CB-CD2 3.43Å; A433-L463 VanDerWaalsContact CB-CD2 3.43Å
434	Y	95.5	Very high	93.2	Very high	47 Å²	47	49.2 Å²	49.2	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.2	176.5	-59	-91.9	0	0	0	108.9	A368 L369 V371 Y373 E416 I432 R440	A368-Y434 CarbonylContact C-O 3.55Å; A368-Y434 VanDerWaalsContact CA-O 3.27Å; A368-Y434 WeakPolarHBondContact CA-O 3.44Å; A368-Y434 WeakPolarHBondContact CB-O 3.27Å; L369-Y434 HydrophobicContact CD2-CD2 4.17Å; L369-Y434 HydrophobicContact CG-CD2 4.44Å; L369-Y434 PolarHBondContact N-O 3.3Å; L369-Y434 PolarHBondContact O-N 3.41Å; V371-Y434 HydrophobicContact CB-CE2 4.39Å; V371-Y434 HydrophobicContact CG2-CD2 4.09Å; V371-Y434 HydrophobicContact CG2-CE2 3.89Å; Y373-Y434 VanDerWaalsContact OH-CE2 3.3Å; Y373-Y434 WeakPolarHBondContact OH-CE2 3.35Å; Y373-Y434 PolarHBondContact OH-OH 3.48Å; E416-Y434 PolarHBondContact OE2-OH 3.46Å; E416-Y434 VanDerWaalsContact OE2-OH 3.06Å; I432-Y434 HydrophobicContact CB-CE2 3.87Å; I432-Y434 HydrophobicContact CG2-CD2 4.2Å; I432-Y434 HydrophobicContact CG2-CE1 4.06Å; I432-Y434 HydrophobicContact CG2-CE2 3.65Å; Y434-R440 HydrophobicContact CD1-CG 3.78Å; Y434-R440 HydrophobicContact CE1-CG 3.86Å
435	G	93	Very high	93.4	Very high	17 Å²	17	44.6 Å²	44.6	18%	0.175	26%	0.261	C	S	.	.			trans	-68	153.6	172.2	0	0	0	0	0	111.5	D437 G438 R439	G435-D437 PolarHBondContact O-N 2.96Å; G435-D437 VanDerWaalsContact O-N 3.12Å; G435-G438 PolarHBondContact O-N 2.87Å; G435-R439 PolarHBondContact N-O 2.91Å
436	V	90.5	Very high	93.4	Very high	95 Å²	95	50.8 Å²	50.8	58%	0.576	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.5	174.2	-176.2	0	0	0	0	111.9	S366 A368 G438	S366-V436 WeakPolarHBondContact O-CG2 3.31Å; A368-V436 HydrophobicContact CB-CG2 4.43Å; V436-G438 VanDerWaalsContact C-N 3.33Å
437	D	85.5	Confident	93.6	Very high	90 Å²	90	52.6 Å²	52.6	48%	0.481	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	8.1	175.7	60.1	9.1	0	0	0	114	G435 R439	G435-D437 PolarHBondContact O-N 2.96Å; G435-D437 VanDerWaalsContact O-N 3.12Å; D437-R439 VanDerWaalsContact C-N 3.28Å; D437-R439 VanDerWaalsContact CG-NE 3.33Å; D437-R439 PolarHBondContact O-N 3.27Å; D437-R439 WeakPolarHBondContact OD1-CB 3.26Å; D437-R439 PolarHBondContact OD1-N 3.17Å; D437-R439 VanDerWaalsContact OD1-N 3.08Å; D437-R439 IonicContact OD1-NE 3.36Å; D437-R439 PolarHBondContact OD1-NE 3.15Å; D437-R439 IonicContact OD2-CZ 3.07Å; D437-R439 IonicContact OD2-NE 2.69Å; D437-R439 PolarHBondContact OD2-NE 2.65Å; D437-R439 IonicContact OD2-NH2 2.67Å; D437-R439 PolarHBondContact OD2-NH2 3.34Å
438	G	84.8	Confident	93.8	Very high	56 Å²	56	52.2 Å²	52.2	58%	0.577	28%	0.277	S	S	*	.	S	Bend	trans	80.3	-2	-179.7	0	0	0	0	0	114.8	G435 V436	G435-G438 PolarHBondContact O-N 2.87Å; V436-G438 VanDerWaalsContact C-N 3.33Å
439	R	89.9	Confident	93.6	Very high	126 Å²	126	50.8 Å²	50.8	48%	0.475	28%	0.279	S	S	.	.			trans	-67.7	141.2	173.5	-70.1	-175.9	-68	164.2	-3	110.4	G435 D437 F441 A470	G435-R439 PolarHBondContact N-O 2.91Å; D437-R439 VanDerWaalsContact C-N 3.28Å; D437-R439 VanDerWaalsContact CG-NE 3.33Å; D437-R439 PolarHBondContact O-N 3.27Å; D437-R439 WeakPolarHBondContact OD1-CB 3.26Å; D437-R439 PolarHBondContact OD1-N 3.17Å; D437-R439 VanDerWaalsContact OD1-N 3.08Å; D437-R439 IonicContact OD1-NE 3.36Å; D437-R439 PolarHBondContact OD1-NE 3.15Å; D437-R439 IonicContact OD2-CZ 3.07Å; D437-R439 IonicContact OD2-NE 2.69Å; D437-R439 PolarHBondContact OD2-NE 2.65Å; D437-R439 IonicContact OD2-NH2 2.67Å; D437-R439 PolarHBondContact OD2-NH2 3.34Å; R439-F441 HydrophobicContact CB-CE2 3.76Å; R439-F441 HydrophobicContact CB-CZ 4.02Å; R439-A470 HydrophobicContact CB-CB 4.18Å; R439-A470 HydrophobicContact CG-CB 4.44Å
440	R	94.1	Very high	93.4	Very high	49 Å²	49	56.6 Å²	56.6	19%	0.185	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.1	179.7	-64.3	170.6	-69.9	-174.5	-3	109.5	E419 V420 I432 A433 Y434 A470 F471	E419-R440 IonicContact OE2-CZ 3.37Å; E419-R440 IonicContact OE2-NH1 3.9Å; E419-R440 PolarHBondContact OE2-NH1 2.92Å; V420-R440 HydrophobicContact CG1-CB 4.38Å; I432-R440 HydrophobicContact CG2-CB 4.42Å; A433-R440 CarbonylContact O-C 3.32Å; A433-R440 WeakPolarHBondContact O-CA 3.46Å; Y434-R440 HydrophobicContact CD1-CG 3.78Å; Y434-R440 HydrophobicContact CE1-CG 3.86Å; R440-A470 CarbonylContact O-C 3.52Å; R440-A470 VanDerWaalsContact O-CA 3.28Å; R440-A470 WeakPolarHBondContact O-CA 3.49Å; R440-F471 HydrophobicContact CB-CB 4.35Å; R440-F471 PolarHBondContact O-N 2.75Å
441	F	96.5	Very high	93.4	Very high	24 Å²	24	57 Å²	57	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.5	178.7	-56.5	-99.1	0	0	0	107.1	I432 A433 R439 L463 V468 A470	I432-F441 CarbonylContact C-O 3.59Å; I432-F441 WeakPolarHBondContact CA-O 3.44Å; A433-F441 HydrophobicContact CB-CB 4.29Å; A433-F441 PolarHBondContact N-O 3.34Å; A433-F441 PolarHBondContact O-N 2.9Å; R439-F441 HydrophobicContact CB-CE2 3.76Å; R439-F441 HydrophobicContact CB-CZ 4.02Å; F441-L463 HydrophobicContact CB-CD1 3.75Å; F441-L463 HydrophobicContact CD1-CD1 3.84Å; F441-L463 HydrophobicContact CD2-CD1 4.01Å; F441-L463 HydrophobicContact CE1-CD1 4.44Å; F441-L463 HydrophobicContact CG-CD1 3.6Å; F441-V468 HydrophobicContact CB-CG1 3.94Å; F441-V468 HydrophobicContact CD1-CB 4.26Å; F441-V468 HydrophobicContact CD1-CG1 4.05Å; F441-V468 WeakPolarHBondContact CD1-O 3.24Å; F441-V468 WeakPolarHBondContact CE1-O 3.44Å; F441-V468 HydrophobicContact CG-CG1 4.49Å; F441-A470 HydrophobicContact CD1-CB 4.19Å; F441-A470 HydrophobicContact CE1-CB 3.72Å; F441-A470 HydrophobicContact CZ-CB 3.97Å
442	K	95.9	Very high	93.3	Very high	42 Å²	42	59.4 Å²	59.4	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.5	178.6	63.3	179.9	-166.6	169	0	111.1	V420 R421 L422 V431 D444 F459 F471	V420-K442 WeakPolarHBondContact O-CD 3.49Å; V420-K442 PolarHBondContact O-NZ 3.04Å; V420-K442 VanDerWaalsContact O-NZ 3.1Å; R421-K442 PolarHBondContact O-NZ 3.32Å; L422-K442 HydrophobicContact CD1-CB 3.97Å; L422-K442 HydrophobicContact CD1-CD 4.46Å; L422-K442 HydrophobicContact CD2-CD 4Å; L422-K442 HydrophobicContact CG-CD 4.13Å; V431-K442 WeakPolarHBondContact O-CA 3.4Å; K442-D444 PolarHBondContact O-N 2.73Å; K442-F459 WeakPolarHBondContact O-CE2 3.32Å; K442-F471 HydrophobicContact CD-CD2 4.28Å
443	M	97.4	Very high	93.2	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.044	34%	0.335	C	S	.	.			trans	-71.7	112.1	160.1	-172.7	171.8	175.2	0	0	106.9	V431 P445 Y448 F451 A455 F459	V431-M443 HydrophobicContact CB-CB 3.82Å; V431-M443 HydrophobicContact CB-SD 4.14Å; V431-M443 HydrophobicContact CG2-SD 3.95Å; V431-M443 PolarHBondContact O-N 2.86Å; M443-P445 WeakPolarHBondContact O-CD 3.37Å; M443-Y448 HydrophobicContact CE-CD1 3.5Å; M443-Y448 VanDerWaalsContact CE-CD1 3.5Å; M443-Y448 HydrophobicContact CE-CD2 3.87Å; M443-Y448 HydrophobicContact CE-CE1 4.01Å; M443-Y448 HydrophobicContact CE-CE2 4.36Å; M443-Y448 HydrophobicContact CE-CG 3.41Å; M443-Y448 VanDerWaalsContact CE-CG 3.41Å; M443-Y448 HydrophobicContact CG-CD2 3.37Å; M443-Y448 HydrophobicContact CG-CE2 3.69Å; M443-Y448 HydrophobicContact CG-CG 3.92Å; M443-F451 HydrophobicContact SD-CD2 4.26Å; M443-A455 HydrophobicContact CE-CB 3.41Å; M443-A455 VanDerWaalsContact CE-CB 3.41Å; M443-F459 HydrophobicContact CB-CD1 4.48Å; M443-F459 HydrophobicContact CB-CD2 3.9Å; M443-F459 HydrophobicContact CB-CE2 4.04Å; M443-F459 HydrophobicContact CB-CG 4.13Å; M443-F459 HydrophobicContact CB-CZ 4.39Å; M443-F459 HydrophobicContact CG-CB 4.29Å; M443-F459 HydrophobicContact CG-CD2 4.14Å; M443-F459 HydrophobicContact CG-CG 4.16Å; M443-F459 HydrophobicContact SD-CB 4.28Å; M443-F459 HydrophobicContact SD-CG 4.44Å
444	D	92.9	Very high	93.2	Very high	57 Å²	57	70 Å²	70	31%	0.305	37%	0.369	S	S	.	.			trans	-78.1	119.9	-168.1	-162	-20.5	0	0	0	110.8	K442 D446 E447 Y448	K442-D444 PolarHBondContact O-N 2.73Å; D444-D446 PolarHBondContact O-N 3.28Å; D444-D446 VanDerWaalsContact O-N 3.17Å; D444-D446 PolarHBondContact OD1-N 3.18Å; D444-D446 VanDerWaalsContact OD1-N 3.15Å; D444-E447 HydrophobicContact CB-CB 4.15Å; D444-E447 PolarHBondContact O-N 3.1Å; D444-Y448 WeakPolarHBondContact O-CD2 3.43Å; D444-Y448 PolarHBondContact O-N 3.46Å
445	P	92.6	Very high	93.3	Very high	34 Å²	34	68.4 Å²	68.4	22%	0.221	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.4	177.1	26.6	-36.4	0	0	0	113.3	L422 M427 M443 E447 Y448	L422-P445 HydrophobicContact CD2-CG 4.22Å; M427-P445 HydrophobicContact CG-CB 3.93Å; M427-P445 HydrophobicContact SD-CB 4.31Å; M443-P445 WeakPolarHBondContact O-CD 3.37Å; P445-E447 VanDerWaalsContact C-N 3.27Å; P445-Y448 VanDerWaalsContact O-O 3.11Å
446	D	89.9	Confident	93.6	Very high	158 Å²	158	67.7 Å²	67.7	85%	0.845	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.3	172.3	-71.7	-24.1	0	0	0	112.5	D444	D444-D446 PolarHBondContact O-N 3.28Å; D444-D446 VanDerWaalsContact O-N 3.17Å; D444-D446 PolarHBondContact OD1-N 3.18Å; D444-D446 VanDerWaalsContact OD1-N 3.15Å
447	E	93.4	Very high	94	Very high	114 Å²	114	66.3 Å²	66.3	53%	0.533	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-30.1	179.4	-173.9	170.3	-167.7	0	0	112.5	D444 P445 K462	D444-E447 HydrophobicContact CB-CB 4.15Å; D444-E447 PolarHBondContact O-N 3.1Å; P445-E447 VanDerWaalsContact C-N 3.27Å; E447-K462 IonicContact OE1-NZ 2.63Å; E447-K462 PolarHBondContact OE1-NZ 2.88Å
448	Y	94.5	Very high	94.6	Very high	18 Å²	18	65.1 Å²	65.1	7%	0.071	34%	0.338	C	S	.	.			trans	-121.8	117.3	-177.9	-58.5	-83.7	0	0	0	110.5	M443 D444 P445 A455 D458 F459 K462	M443-Y448 HydrophobicContact CE-CD1 3.5Å; M443-Y448 VanDerWaalsContact CE-CD1 3.5Å; M443-Y448 HydrophobicContact CE-CD2 3.87Å; M443-Y448 HydrophobicContact CE-CE1 4.01Å; M443-Y448 HydrophobicContact CE-CE2 4.36Å; M443-Y448 HydrophobicContact CE-CG 3.41Å; M443-Y448 VanDerWaalsContact CE-CG 3.41Å; M443-Y448 HydrophobicContact CG-CD2 3.37Å; M443-Y448 HydrophobicContact CG-CE2 3.69Å; M443-Y448 HydrophobicContact CG-CG 3.92Å; D444-Y448 WeakPolarHBondContact O-CD2 3.43Å; D444-Y448 PolarHBondContact O-N 3.46Å; P445-Y448 VanDerWaalsContact O-O 3.11Å; Y448-A455 HydrophobicContact CD1-CB 3.83Å; Y448-A455 HydrophobicContact CE1-CB 4.32Å; Y448-D458 HydrophobicContact CE1-CB 4.48Å; Y448-D458 WeakPolarHBondContact CE1-OD2 3.25Å; Y448-D458 PolarHBondContact OH-OD2 2.76Å; Y448-F459 HydrophobicContact CE2-CB 4.45Å; Y448-F459 WeakPolarHBondContact OH-CA 3.35Å; Y448-F459 PolarHBondContact OH-N 3.11Å; Y448-K462 PolarHBondContact OH-NZ 3.23Å
449	S	89.3	Confident	95.2	Very high	115 Å²	115	62.5 Å²	62.5	80%	0.804	31%	0.311	S	S	*	.	S	Bend	trans	-78.2	-23	-178.1	53.8	0	0	0	0	114.5
450	E	93.8	Very high	95.7	Very high	127 Å²	127	56.5 Å²	56.5	59%	0.593	29%	0.289	S	S	*	.	S	Bend	trans	-151.6	164.3	177.8	65.1	-172.6	160.8	0	0	110.2	M427	M427-E450 VanDerWaalsContact CE-C 3.43Å
451	F	96.7	Very high	95.9	Very high	15 Å²	15	56 Å²	56	7%	0.066	30%	0.295	C	S	.	.			trans	-98.1	123.2	175.6	176.4	-89.1	0	0	0	110.7	W389 I393 M427 I429 V431 M443 L456	W389-F451 AromaticContact CE3-CD1 3.96Å; W389-F451 HydrophobicContact CE3-CD1 3.96Å; W389-F451 AromaticContact CE3-CE1 3.77Å; W389-F451 HydrophobicContact CE3-CE1 3.77Å; W389-F451 HydrophobicContact CH2-CD1 4.33Å; W389-F451 AromaticContact CZ3-CD1 3.68Å; W389-F451 HydrophobicContact CZ3-CD1 3.68Å; W389-F451 AromaticContact CZ3-CE1 3.9Å; W389-F451 HydrophobicContact CZ3-CE1 3.9Å; I393-F451 HydrophobicContact CD1-CZ 4.4Å; I393-F451 HydrophobicContact CG1-CZ 3.96Å; M427-F451 HydrophobicContact CE-CB 4.29Å; I429-F451 HydrophobicContact CB-CB 3.83Å; I429-F451 HydrophobicContact CB-CD1 3.75Å; I429-F451 HydrophobicContact CB-CD2 4.13Å; I429-F451 HydrophobicContact CB-CE1 4.33Å; I429-F451 HydrophobicContact CB-CG 3.62Å; I429-F451 HydrophobicContact CD1-CD1 3.57Å; I429-F451 HydrophobicContact CD1-CE1 3.74Å; I429-F451 HydrophobicContact CD1-CG 4.37Å; I429-F451 HydrophobicContact CG1-CD1 4Å; I429-F451 HydrophobicContact CG1-CG 4.34Å; I429-F451 HydrophobicContact CG2-CD1 4Å; I429-F451 HydrophobicContact CG2-CD2 3.97Å; I429-F451 HydrophobicContact CG2-CE1 4.1Å; I429-F451 HydrophobicContact CG2-CE2 4.09Å; I429-F451 HydrophobicContact CG2-CG 3.92Å; I429-F451 HydrophobicContact CG2-CZ 4.14Å; V431-F451 HydrophobicContact CG2-CD2 3.84Å; V431-F451 HydrophobicContact CG2-CE2 3.54Å; M443-F451 HydrophobicContact SD-CD2 4.26Å; F451-L456 HydrophobicContact CE2-CB 4.12Å; F451-L456 HydrophobicContact CE2-CD1 4.37Å; F451-L456 HydrophobicContact CE2-CD2 4.3Å; F451-L456 HydrophobicContact CE2-CG 4.48Å; F451-L456 HydrophobicContact CZ-CB 4.46Å; F451-L456 HydrophobicContact CZ-CD2 4.12Å
452	D	96.4	Very high	95.9	Very high	53 Å²	53	57.1 Å²	57.1	28%	0.283	30%	0.3	S	S	.	.			trans	-148.9	-177	170	67	35.7	0	0	0	111.5	E454 A455 L456	D452-E454 WeakPolarHBondContact OD1-CA 3.3Å; D452-E454 WeakPolarHBondContact OD1-CB 3.3Å; D452-E454 PolarHBondContact OD1-N 2.93Å; D452-A455 WeakPolarHBondContact OD1-CB 3.48Å; D452-A455 PolarHBondContact OD1-N 2.81Å; D452-L456 WeakPolarHBondContact O-CB 3.4Å; D452-L456 PolarHBondContact O-N 3.13Å
453	E	97	Very high	96	Very high	65 Å²	65	55.9 Å²	55.9	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-37.6	179.9	-168.2	177.7	149.8	0	0	112.9	K392 A395 V396 Q457	K392-E453 HydrophobicContact CD-CB 4.17Å; K392-E453 WeakPolarHBondContact CD-OE2 3.24Å; K392-E453 IonicContact NZ-OE2 2.76Å; K392-E453 PolarHBondContact NZ-OE2 3.43Å; A395-E453 HydrophobicContact CB-CG 4.44Å; V396-E453 HydrophobicContact CG2-CG 4.04Å; E453-Q457 WeakPolarHBondContact O-CB 3.23Å; E453-Q457 PolarHBondContact O-N 2.86Å
454	E	97.9	Very high	95.9	Very high	160 Å²	160	59.4 Å²	59.4	75%	0.748	31%	0.314	S	S	*	.	H	α-helix	trans	-72.5	-43.4	-178	-63.6	-173.9	-176.2	0	0	110.7	D452 Q457 D458	D452-E454 WeakPolarHBondContact OD1-CA 3.3Å; D452-E454 WeakPolarHBondContact OD1-CB 3.3Å; D452-E454 PolarHBondContact OD1-N 2.93Å; E454-Q457 PolarHBondContact O-N 3.08Å; E454-D458 WeakPolarHBondContact O-CB 3.32Å; E454-D458 PolarHBondContact O-N 3.19Å
455	A	98.1	Very high	96.1	Very high	12 Å²	12	60.7 Å²	60.7	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.9	0	0	0	0	0	111.1	M443 Y448 D452 D458 F459	M443-A455 HydrophobicContact CE-CB 3.41Å; M443-A455 VanDerWaalsContact CE-CB 3.41Å; Y448-A455 HydrophobicContact CD1-CB 3.83Å; Y448-A455 HydrophobicContact CE1-CB 4.32Å; D452-A455 WeakPolarHBondContact OD1-CB 3.48Å; D452-A455 PolarHBondContact OD1-N 2.81Å; A455-D458 PolarHBondContact O-N 3.47Å; A455-F459 WeakPolarHBondContact O-CB 3.14Å; A455-F459 PolarHBondContact O-N 3.23Å
456	L	98.5	Very high	96.1	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-40.2	174.9	-179.1	61.5	0	0	0	112	I393 V396 V431 F451 D452 F459 M460	I393-L456 HydrophobicContact CB-CD2 4.28Å; I393-L456 HydrophobicContact CG1-CD2 4.06Å; I393-L456 HydrophobicContact CG2-CD2 4.17Å; V396-L456 HydrophobicContact CB-CD2 4.05Å; V396-L456 HydrophobicContact CB-CG 4.26Å; V396-L456 HydrophobicContact CG1-CD2 4.41Å; V396-L456 HydrophobicContact CG1-CG 4.13Å; V396-L456 HydrophobicContact CG2-CB 4.3Å; V396-L456 HydrophobicContact CG2-CD2 3.99Å; V396-L456 HydrophobicContact CG2-CG 4.1Å; V431-L456 HydrophobicContact CG1-CD1 4.31Å; V431-L456 HydrophobicContact CG2-CD1 4.46Å; F451-L456 HydrophobicContact CE2-CB 4.12Å; F451-L456 HydrophobicContact CE2-CD1 4.37Å; F451-L456 HydrophobicContact CE2-CD2 4.3Å; F451-L456 HydrophobicContact CE2-CG 4.48Å; F451-L456 HydrophobicContact CZ-CB 4.46Å; F451-L456 HydrophobicContact CZ-CD2 4.12Å; D452-L456 WeakPolarHBondContact O-CB 3.4Å; D452-L456 PolarHBondContact O-N 3.13Å; L456-F459 HydrophobicContact CD1-CD1 4.29Å; L456-F459 PolarHBondContact O-N 2.75Å; L456-M460 HydrophobicContact CD1-CG 4.22Å; L456-M460 WeakPolarHBondContact O-CB 3.49Å; L456-M460 VanDerWaalsContact O-CG 3.32Å; L456-M460 WeakPolarHBondContact O-CG 3.24Å; L456-M460 PolarHBondContact O-N 3.35Å
457	Q	98.3	Very high	96.4	Very high	66 Å²	66	63.9 Å²	63.9	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-43.6	177.2	-177.9	66.6	49.1	0	0	111.7	V396 Y400 E453 E454 M460 A461	V396-Q457 HydrophobicContact CG2-CB 4.24Å; Y400-Q457 PolarHBondContact OH-NE2 3.42Å; E453-Q457 WeakPolarHBondContact O-CB 3.23Å; E453-Q457 PolarHBondContact O-N 2.86Å; E454-Q457 PolarHBondContact O-N 3.08Å; Q457-M460 PolarHBondContact O-N 3.28Å; Q457-A461 WeakPolarHBondContact O-CB 3.14Å; Q457-A461 PolarHBondContact O-N 2.95Å
458	D	98.4	Very high	96.5	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.342	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-45.5	176.1	173.4	71.5	0	0	0	111.8	Y448 E454 A455 M460 A461 K462	Y448-D458 HydrophobicContact CE1-CB 4.48Å; Y448-D458 WeakPolarHBondContact CE1-OD2 3.25Å; Y448-D458 PolarHBondContact OH-OD2 2.76Å; E454-D458 WeakPolarHBondContact O-CB 3.32Å; E454-D458 PolarHBondContact O-N 3.19Å; A455-D458 PolarHBondContact O-N 3.47Å; D458-M460 VanDerWaalsContact C-N 3.32Å; D458-M460 PolarHBondContact O-N 2.57Å; D458-A461 PolarHBondContact O-N 3.05Å; D458-K462 WeakPolarHBondContact O-CG 3.34Å; D458-K462 PolarHBondContact O-N 3.05Å; D458-K462 VanDerWaalsContact OD1-CE 3.3Å; D458-K462 WeakPolarHBondContact OD1-CE 3.47Å; D458-K462 IonicContact OD1-NZ 3.6Å; D458-K462 WeakPolarHBondContact OD2-CE 3.37Å; D458-K462 IonicContact OD2-NZ 2.65Å; D458-K462 PolarHBondContact OD2-NZ 2.6Å
459	F	98.6	Very high	96.2	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-54.9	-48.1	173.8	172.2	-108	0	0	0	111.3	V431 A433 K442 M443 Y448 A455 L456 A461 K462 L463 V468	V431-F459 HydrophobicContact CG1-CD1 4.24Å; V431-F459 HydrophobicContact CG1-CE1 3.84Å; A433-F459 HydrophobicContact CB-CE1 4.44Å; A433-F459 HydrophobicContact CB-CZ 4.38Å; K442-F459 WeakPolarHBondContact O-CE2 3.32Å; M443-F459 HydrophobicContact CB-CD1 4.48Å; M443-F459 HydrophobicContact CB-CD2 3.9Å; M443-F459 HydrophobicContact CB-CE2 4.04Å; M443-F459 HydrophobicContact CB-CG 4.13Å; M443-F459 HydrophobicContact CB-CZ 4.39Å; M443-F459 HydrophobicContact CG-CB 4.29Å; M443-F459 HydrophobicContact CG-CD2 4.14Å; M443-F459 HydrophobicContact CG-CG 4.16Å; M443-F459 HydrophobicContact SD-CB 4.28Å; M443-F459 HydrophobicContact SD-CG 4.44Å; Y448-F459 HydrophobicContact CE2-CB 4.45Å; Y448-F459 WeakPolarHBondContact OH-CA 3.35Å; Y448-F459 PolarHBondContact OH-N 3.11Å; A455-F459 WeakPolarHBondContact O-CB 3.14Å; A455-F459 PolarHBondContact O-N 3.23Å; L456-F459 HydrophobicContact CD1-CD1 4.29Å; L456-F459 PolarHBondContact O-N 2.75Å; F459-A461 PolarHBondContact O-N 2.85Å; F459-K462 PolarHBondContact O-N 2.76Å; F459-L463 HydrophobicContact CE1-CD2 4.21Å; F459-L463 HydrophobicContact CZ-CD2 4.36Å; F459-L463 VanDerWaalsContact O-CB 3.29Å; F459-L463 WeakPolarHBondContact O-CB 3.44Å; F459-L463 PolarHBondContact O-N 2.77Å; F459-V468 HydrophobicContact CD2-CG2 4.09Å; F459-V468 HydrophobicContact CE2-CG1 3.94Å; F459-V468 HydrophobicContact CE2-CG2 3.98Å
460	M	98.5	Very high	96.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.8	-36.6	178.6	-73.9	-55.7	-53.3	0	0	112.9	V370 V396 Y400 Y403 F405 L456 Q457 D458 L463 N464	V370-M460 HydrophobicContact CB-SD 4.49Å; V370-M460 HydrophobicContact CG1-SD 4.11Å; V370-M460 HydrophobicContact CG2-CE 3.99Å; V370-M460 HydrophobicContact CG2-SD 3.69Å; V396-M460 HydrophobicContact CG1-CB 4.22Å; V396-M460 HydrophobicContact CG1-CG 3.89Å; Y400-M460 HydrophobicContact CD1-CE 4.14Å; Y400-M460 HydrophobicContact CD2-CB 3.94Å; Y400-M460 HydrophobicContact CD2-CE 4.22Å; Y400-M460 HydrophobicContact CD2-CG 4.31Å; Y400-M460 HydrophobicContact CE1-CB 4.21Å; Y400-M460 HydrophobicContact CE2-CB 3.44Å; Y400-M460 VanDerWaalsContact CE2-CB 3.44Å; Y400-M460 HydrophobicContact CE2-CG 4.23Å; Y400-M460 HydrophobicContact CG-CE 3.93Å; Y403-M460 HydrophobicContact CD1-CE 4.07Å; Y403-M460 HydrophobicContact CD2-CE 4.07Å; Y403-M460 HydrophobicContact CE1-CE 4.27Å; Y403-M460 HydrophobicContact CE2-CE 4.27Å; Y403-M460 HydrophobicContact CG-CE 3.97Å; F405-M460 HydrophobicContact CE1-CE 4.46Å; F405-M460 HydrophobicContact CE1-CG 4.3Å; F405-M460 HydrophobicContact CE1-SD 4.03Å; F405-M460 HydrophobicContact CZ-CE 3.73Å; F405-M460 HydrophobicContact CZ-CG 4.21Å; F405-M460 HydrophobicContact CZ-SD 3.89Å; L456-M460 HydrophobicContact CD1-CG 4.22Å; L456-M460 WeakPolarHBondContact O-CB 3.49Å; L456-M460 VanDerWaalsContact O-CG 3.32Å; L456-M460 WeakPolarHBondContact O-CG 3.24Å; L456-M460 PolarHBondContact O-N 3.35Å; Q457-M460 PolarHBondContact O-N 3.28Å; D458-M460 VanDerWaalsContact C-N 3.32Å; D458-M460 PolarHBondContact O-N 2.57Å; M460-L463 HydrophobicContact CE-CD2 4.14Å; M460-L463 PolarHBondContact O-N 3.13Å; M460-L463 HydrophobicContact SD-CD2 3.99Å; M460-N464 WeakPolarHBondContact O-CB 3.47Å; M460-N464 PolarHBondContact O-N 2.95Å
461	A	98.3	Very high	96.1	Very high	39 Å²	39	59.1 Å²	59.1	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-64.3	-43.3	174.3	0	0	0	0	0	111.7	Y400 Q457 D458 F459 T465	Y400-A461 WeakPolarHBondContact OH-CA 3.5Å; Y400-A461 PolarHBondContact OH-N 2.57Å; Q457-A461 WeakPolarHBondContact O-CB 3.14Å; Q457-A461 PolarHBondContact O-N 2.95Å; D458-A461 PolarHBondContact O-N 3.05Å; F459-A461 PolarHBondContact O-N 2.85Å; A461-T465 WeakPolarHBondContact O-CB 3.07Å; A461-T465 WeakPolarHBondContact O-CG2 3.33Å; A461-T465 PolarHBondContact O-N 2.93Å; A461-T465 PolarHBondContact O-OG1 2.78Å
462	K	98.4	Very high	95.5	Very high	47 Å²	47	61.4 Å²	61.4	20%	0.204	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-42.8	174.4	-71	169.8	-179.7	165.2	0	111.2	E447 Y448 D458 F459 T465 G466 R467 V468	E447-K462 IonicContact OE1-NZ 2.63Å; E447-K462 PolarHBondContact OE1-NZ 2.88Å; Y448-K462 PolarHBondContact OH-NZ 3.23Å; D458-K462 WeakPolarHBondContact O-CG 3.34Å; D458-K462 PolarHBondContact O-N 3.05Å; D458-K462 VanDerWaalsContact OD1-CE 3.3Å; D458-K462 WeakPolarHBondContact OD1-CE 3.47Å; D458-K462 IonicContact OD1-NZ 3.6Å; D458-K462 WeakPolarHBondContact OD2-CE 3.37Å; D458-K462 IonicContact OD2-NZ 2.65Å; D458-K462 PolarHBondContact OD2-NZ 2.6Å; F459-K462 PolarHBondContact O-N 2.76Å; K462-T465 PolarHBondContact O-N 3.02Å; K462-T465 PolarHBondContact O-OG1 2.92Å; K462-G466 PolarHBondContact O-N 3.22Å; K462-R467 HydrophobicContact CB-CB 4.11Å; K462-R467 HydrophobicContact CG-CB 4.46Å; K462-R467 WeakPolarHBondContact O-CB 3.28Å; K462-R467 PolarHBondContact O-N 2.91Å; K462-V468 HydrophobicContact CB-CG2 3.62Å
463	L	97.5	Very high	95.1	Very high	16 Å²	16	62.2 Å²	62.2	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-50.5	-180	-178.1	66.4	0	0	0	110.7	Y403 A433 F441 F459 M460 T465 G466 V468	Y403-L463 HydrophobicContact CE1-CD2 3.99Å; Y403-L463 HydrophobicContact CE1-CG 4.48Å; A433-L463 HydrophobicContact CB-CD1 4.43Å; A433-L463 HydrophobicContact CB-CD2 3.43Å; A433-L463 VanDerWaalsContact CB-CD2 3.43Å; F441-L463 HydrophobicContact CB-CD1 3.75Å; F441-L463 HydrophobicContact CD1-CD1 3.84Å; F441-L463 HydrophobicContact CD2-CD1 4.01Å; F441-L463 HydrophobicContact CE1-CD1 4.44Å; F441-L463 HydrophobicContact CG-CD1 3.6Å; F459-L463 HydrophobicContact CE1-CD2 4.21Å; F459-L463 HydrophobicContact CZ-CD2 4.36Å; F459-L463 VanDerWaalsContact O-CB 3.29Å; F459-L463 WeakPolarHBondContact O-CB 3.44Å; F459-L463 PolarHBondContact O-N 2.77Å; M460-L463 HydrophobicContact CE-CD2 4.14Å; M460-L463 PolarHBondContact O-N 3.13Å; M460-L463 HydrophobicContact SD-CD2 3.99Å; L463-T465 PolarHBondContact O-N 3.14Å; L463-G466 PolarHBondContact O-N 3.48Å; L463-V468 HydrophobicContact CB-CG2 4.05Å; L463-V468 HydrophobicContact CD1-CB 4.15Å
464	N	95.5	Very high	94.8	Very high	83 Å²	83	59.6 Å²	59.6	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-65.1	-23.5	-178.8	-170.4	65.9	0	0	0	113.3	Y400 M460	Y400-N464 HydrophobicContact CD1-CB 4.29Å; Y400-N464 HydrophobicContact CE1-CB 3.89Å; M460-N464 WeakPolarHBondContact O-CB 3.47Å; M460-N464 PolarHBondContact O-N 2.95Å
465	T	96.3	Very high	94.5	Very high	83 Å²	83	55.5 Å²	55.5	51%	0.509	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.2	174.4	57	0	0	0	0	113.6	A461 K462 L463 R467	A461-T465 WeakPolarHBondContact O-CB 3.07Å; A461-T465 WeakPolarHBondContact O-CG2 3.33Å; A461-T465 PolarHBondContact O-N 2.93Å; A461-T465 PolarHBondContact O-OG1 2.78Å; K462-T465 PolarHBondContact O-N 3.02Å; K462-T465 PolarHBondContact O-OG1 2.92Å; L463-T465 PolarHBondContact O-N 3.14Å; T465-R467 VanDerWaalsContact C-N 3.31Å; T465-R467 PolarHBondContact O-N 3.43Å
466	G	93.4	Very high	94	Very high	65 Å²	65	63.9 Å²	63.9	67%	0.67	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	19.3	179.1	0	0	0	0	0	114.6	K462 L463	K462-G466 PolarHBondContact O-N 3.22Å; L463-G466 PolarHBondContact O-N 3.48Å
467	R	95.3	Very high	93.6	Very high	194 Å²	194	66.8 Å²	66.8	73%	0.732	35%	0.349	S	S	*	.			trans	-86.9	-18.8	-179.7	-64.7	-179.7	-178.8	178.7	1.4	113.5	K462 T465	K462-R467 HydrophobicContact CB-CB 4.11Å; K462-R467 HydrophobicContact CG-CB 4.46Å; K462-R467 WeakPolarHBondContact O-CB 3.28Å; K462-R467 PolarHBondContact O-N 2.91Å; T465-R467 VanDerWaalsContact C-N 3.31Å; T465-R467 PolarHBondContact O-N 3.43Å
468	V	95.2	Very high	93.3	Very high	23 Å²	23	65.8 Å²	65.8	14%	0.139	35%	0.348	C	S	.	.	S	Bend	trans	-79.7	126.6	171.4	-175.3	0	0	0	0	108.9	F441 F459 K462 L463	F441-V468 HydrophobicContact CB-CG1 3.94Å; F441-V468 HydrophobicContact CD1-CB 4.26Å; F441-V468 HydrophobicContact CD1-CG1 4.05Å; F441-V468 WeakPolarHBondContact CD1-O 3.24Å; F441-V468 WeakPolarHBondContact CE1-O 3.44Å; F441-V468 HydrophobicContact CG-CG1 4.49Å; F459-V468 HydrophobicContact CD2-CG2 4.09Å; F459-V468 HydrophobicContact CE2-CG1 3.94Å; F459-V468 HydrophobicContact CE2-CG2 3.98Å; K462-V468 HydrophobicContact CB-CG2 3.62Å; L463-V468 HydrophobicContact CB-CG2 4.05Å; L463-V468 HydrophobicContact CD1-CB 4.15Å
469	K	88.8	Confident	92.8	Very high	188 Å²	188	74.8 Å²	74.8	82%	0.817	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-74.2	138.7	175.8	-68.9	177.9	-176.3	168.2	0	109.7	F471	K469-F471 PolarHBondContact O-N 3.34Å
470	A	90.7	Very high	92.5	Very high	32 Å²	32	79.9 Å²	79.9	26%	0.264	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-61.9	135.2	169.6	0	0	0	0	0	109.5	R439 R440 F441 T472	R439-A470 HydrophobicContact CB-CB 4.18Å; R439-A470 HydrophobicContact CG-CB 4.44Å; R440-A470 CarbonylContact O-C 3.52Å; R440-A470 VanDerWaalsContact O-CA 3.28Å; R440-A470 WeakPolarHBondContact O-CA 3.49Å; F441-A470 HydrophobicContact CD1-CB 4.19Å; F441-A470 HydrophobicContact CE1-CB 3.72Å; F441-A470 HydrophobicContact CZ-CB 3.97Å; A470-T472 PolarHBondContact O-N 2.94Å
471	F	89.5	Confident	92.3	Very high	31 Å²	31	83.8 Å²	83.8	14%	0.136	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-58.4	132.6	168.4	178.5	-94.9	0	0	0	109.2	E419 V420 R440 K442 K469 K473	E419-F471 WeakPolarHBondContact O-CE1 3.48Å; E419-F471 WeakPolarHBondContact O-CZ 3.34Å; V420-F471 VanDerWaalsContact CA-CZ 3.5Å; V420-F471 HydrophobicContact CB-CD1 4.24Å; V420-F471 HydrophobicContact CB-CD2 4.17Å; V420-F471 HydrophobicContact CB-CE1 4.36Å; V420-F471 HydrophobicContact CB-CE2 4.3Å; V420-F471 HydrophobicContact CB-CG 4.14Å; V420-F471 HydrophobicContact CB-CZ 4.4Å; V420-F471 HydrophobicContact CG1-CD1 3.85Å; V420-F471 HydrophobicContact CG1-CE1 4.22Å; V420-F471 HydrophobicContact CG1-CG 4.06Å; V420-F471 VanDerWaalsContact O-CE2 3.25Å; V420-F471 WeakPolarHBondContact O-CE2 3.38Å; R440-F471 HydrophobicContact CB-CB 4.35Å; R440-F471 PolarHBondContact O-N 2.75Å; K442-F471 HydrophobicContact CD-CD2 4.28Å; K469-F471 PolarHBondContact O-N 3.34Å; F471-K473 HydrophobicContact CE1-CB 4.3Å
472	T	85.6	Confident	91.9	Very high	64 Å²	64	87 Å²	87	39%	0.393	44%	0.442	S	S	.	.			trans	-128.2	119	176.2	-56.6	0	0	0	0	105.9	A470 S474 D547	A470-T472 PolarHBondContact O-N 2.94Å; T472-S474 PolarHBondContact O-N 2.82Å; T472-D547 HydrophobicContact CG2-CB 3.77Å
473	K	87.2	Confident	91.6	Very high	70 Å²	70	88 Å²	88	30%	0.304	47%	0.466	S	S	.	.			trans	-55.6	125.7	172.6	-166	-174.3	178.9	-173	0	107.6	F471 V544 D545 N546 D547	F471-K473 HydrophobicContact CE1-CB 4.3Å; K473-V544 PolarHBondContact NZ-O 2.99Å; K473-D545 IonicContact NZ-OD1 2.66Å; K473-D545 PolarHBondContact NZ-OD1 2.86Å; K473-N546 CarbonylContact O-C 3.44Å; K473-N546 VanDerWaalsContact O-CA 3.27Å; K473-N546 WeakPolarHBondContact O-CA 3.21Å; K473-D547 HydrophobicContact CB-CB 4.37Å; K473-D547 VanDerWaalsContact CB-CG 3.48Å; K473-D547 WeakPolarHBondContact CB-OD2 3.26Å; K473-D547 PolarHBondContact N-OD2 3.16Å; K473-D547 PolarHBondContact O-N 3.37Å
474	S	91	Very high	91.5	Very high	9 Å²	9	89.5 Å²	89.5	6%	0.063	48%	0.477	C	S	.	.			trans	-154.2	131	-177.7	-179.5	0	0	0	0	111.1	R421 T472 G490 S491 N546	R421-S474 VanDerWaalsContact CZ-O 3.23Å; R421-S474 PolarHBondContact NH1-O 2.83Å; R421-S474 PolarHBondContact NH2-O 2.83Å; T472-S474 PolarHBondContact O-N 2.82Å; S474-G490 PolarHBondContact OG-N 2.87Å; S474-S491 WeakPolarHBondContact OG-CB 3.47Å; S474-S491 PolarHBondContact OG-N 3.35Å; S474-S491 PolarHBondContact OG-OG 3.2Å; S474-N546 WeakPolarHBondContact CA-OD1 3.39Å
475	E	91.2	Very high	91.6	Very high	75 Å²	75	85.9 Å²	85.9	35%	0.35	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.6	165	160	-65.1	178.4	87.8	0	0	110.7	V489 D545 N546	E475-V489 HydrophobicContact CB-CB 4.34Å; E475-V489 HydrophobicContact CB-CG1 3.83Å; E475-D545 HydrophobicContact CG-CB 3.76Å; E475-N546 PolarHBondContact N-OD1 3.3Å; E475-N546 PolarHBondContact OE2-ND2 2.87Å
476	K	89.1	Confident	91.7	Very high	188 Å²	188	83.7 Å²	83.7	82%	0.817	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-65.9	132.2	172.8	-70.5	-177	-179	177.3	0	108.9
477	P	89.5	Confident	91.9	Very high	63 Å²	63	82.6 Å²	82.6	41%	0.409	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-55.5	137.9	174.3	-26	34	0	0	0	111.6	R479 V489 S491 T492	P477-R479 PolarHBondContact O-N 3.26Å; P477-V489 HydrophobicContact CB-CG2 4.08Å; P477-V489 HydrophobicContact CG-CG2 3.89Å; P477-S491 WeakPolarHBondContact CG-OG 3.37Å; P477-T492 HydrophobicContact CB-CG2 3.78Å; P477-T492 HydrophobicContact CG-CG2 3.85Å
478	P	91	Very high	92.1	Very high	46 Å²	46	73.4 Å²	73.4	30%	0.299	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-59.6	132.7	172.1	25.4	-33.6	0	0	0	109.4	V480 V487	P478-V480 PolarHBondContact O-N 2.91Å; P478-V487 HydrophobicContact CG-CB 4.26Å; P478-V487 HydrophobicContact CG-CG1 4.38Å
479	R	89.2	Confident	92.1	Very high	253 Å²	253	72.4 Å²	72.4	96%	0.955	38%	0.384	S	S	*	.	S	Bend	trans	-63.3	-35.2	178.5	-69.5	-175.8	178.7	176.3	-0.5	111.8	P477	P477-R479 PolarHBondContact O-N 3.26Å
480	V	92.6	Very high	92.2	Very high	109 Å²	109	63.9 Å²	63.9	66%	0.661	35%	0.349	S	S	*	.	S	Bend	trans	-136.3	134.4	178	-178.2	0	0	0	0	107.7	P478 T482	P478-V480 PolarHBondContact O-N 2.91Å; V480-T482 PolarHBondContact O-N 3.26Å
481	Q	93.7	Very high	92.1	Very high	82 Å²	82	65.8 Å²	65.8	38%	0.383	36%	0.36	S	S	.	.			trans	-74.3	122.6	171.6	-68.3	-68	-16.1	0	0	109.1	V487	Q481-V487 PolarHBondContact NE2-O 3.4Å
482	T	89	Confident	92.3	Very high	106 Å²	106	64.5 Å²	64.5	65%	0.65	36%	0.355	S	S	*	.			trans	-117.7	140.5	-179.7	55.4	0	0	0	0	110.5	V480	V480-T482 PolarHBondContact O-N 3.26Å
483	G	92.7	Very high	92.7	Very high	68 Å²	68	61.8 Å²	61.8	70%	0.701	34%	0.338	S	S	*	.	S	Bend	trans	85.4	-178.9	-179.6	0	0	0	0	0	113.6
484	P	95.3	Very high	92.9	Very high	48 Å²	48	67 Å²	67	31%	0.312	36%	0.355	S	S	.	.	S	Bend	trans	-82	-22.6	-175.7	34.8	-37.9	0	0	0	113.2	E524 A527 K528	P484-E524 HydrophobicContact CG-CB 4.21Å; P484-E524 HydrophobicContact CG-CG 4.36Å; P484-A527 HydrophobicContact CB-CB 3.76Å; P484-A527 HydrophobicContact CG-CB 4.21Å; P484-K528 HydrophobicContact CB-CG 3.82Å; P484-K528 HydrophobicContact CG-CG 3.92Å
485	V	98.2	Very high	93.1	Very high	6 Å²	6	75.1 Å²	75.1	4%	0.036	39%	0.385	C	S	.	.	S	Bend	trans	-97.1	129.3	179.7	-174.9	0	0	0	0	109.2	V487 Y523 E524 A527 I538 K540	V485-V487 PolarHBondContact O-N 2.82Å; V485-Y523 HydrophobicContact CG1-CD1 4.09Å; V485-Y523 HydrophobicContact CG1-CE1 4.08Å; V485-Y523 HydrophobicContact CG2-CD1 4.08Å; V485-E524 HydrophobicContact CG2-CG 4.12Å; V485-A527 HydrophobicContact CG2-CB 3.72Å; V485-I538 HydrophobicContact CG1-CG2 4.47Å; V485-I538 HydrophobicContact CG2-CG2 4.44Å; V485-K540 HydrophobicContact CG1-CB 3.85Å; V485-K540 HydrophobicContact CG1-CD 3.99Å; V485-K540 HydrophobicContact CG1-CG 3.7Å
486	T	98	Very high	93.3	Very high	37 Å²	37	72.7 Å²	72.7	23%	0.227	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.9	177.5	-60.4	0	0	0	0	110.2	V488 V496 I538 A539 K540	T486-V488 HydrophobicContact CG2-CG2 4.38Å; T486-V496 HydrophobicContact CG2-CG1 4.13Å; T486-I538 PolarHBondContact N-O 2.99Å; T486-A539 CarbonylContact O-C 3.52Å; T486-A539 WeakPolarHBondContact O-CA 3.45Å; T486-K540 PolarHBondContact O-N 2.94Å
487	V	98.1	Very high	93.7	Very high	42 Å²	42	63.8 Å²	63.8	26%	0.255	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121	176.1	178.7	0	0	0	0	109.2	P478 Q481 V485	P478-V487 HydrophobicContact CG-CB 4.26Å; P478-V487 HydrophobicContact CG-CG1 4.38Å; Q481-V487 PolarHBondContact NE2-O 3.4Å; V485-V487 PolarHBondContact O-N 2.82Å
488	V	97.6	Very high	94	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	32%	0.323	C	S	.	.			trans	-109.8	133.6	179	177.7	0	0	0	0	108.6	T486 F493 V496 I506 A539 K540 M541	T486-V488 HydrophobicContact CG2-CG2 4.38Å; V488-F493 VanDerWaalsContact CG1-CA 3.5Å; V488-F493 HydrophobicContact CG1-CB 4.04Å; V488-F493 HydrophobicContact CG1-CD2 3.93Å; V488-F493 HydrophobicContact CG1-CG 4.38Å; V488-V496 HydrophobicContact CG2-CB 4Å; V488-V496 HydrophobicContact CG2-CG1 3.75Å; V488-V496 HydrophobicContact CG2-CG2 4.28Å; V488-I506 HydrophobicContact CB-CD1 4.32Å; V488-I506 HydrophobicContact CG1-CD1 4.32Å; V488-I506 HydrophobicContact CG2-CD1 4.39Å; V488-A539 HydrophobicContact CG2-CB 3.9Å; V488-K540 PolarHBondContact N-O 2.97Å; V488-M541 HydrophobicContact CB-CB 4.18Å; V488-M541 HydrophobicContact CG1-CB 4.49Å; V488-M541 HydrophobicContact CG1-SD 4.06Å; V488-M541 WeakPolarHBondContact O-CA 3.37Å; V488-M541 VanDerWaalsContact O-CB 3.29Å; V488-M541 WeakPolarHBondContact O-CB 3.28Å; V488-M541 WeakPolarHBondContact O-CG 3.18Å
489	V	95.7	Very high	94.2	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.018	32%	0.323	C	S	.	.			trans	-115.5	164.1	168.9	-59.5	0	0	0	0	109.4	E475 P477 S491 T492 F493 N546	E475-V489 HydrophobicContact CB-CB 4.34Å; E475-V489 HydrophobicContact CB-CG1 3.83Å; P477-V489 HydrophobicContact CB-CG2 4.08Å; P477-V489 HydrophobicContact CG-CG2 3.89Å; V489-S491 VanDerWaalsContact C-N 3.29Å; V489-S491 WeakPolarHBondContact CG2-OG 3.3Å; V489-S491 PolarHBondContact O-N 2.79Å; V489-S491 VanDerWaalsContact O-N 3.17Å; V489-T492 HydrophobicContact CG2-CG2 3.78Å; V489-T492 WeakPolarHBondContact CG2-OG1 3.48Å; V489-T492 PolarHBondContact N-OG1 2.9Å; V489-T492 CarbonylContact O-C 3.56Å; V489-T492 WeakPolarHBondContact O-CA 3.32Å; V489-T492 PolarHBondContact O-N 3Å; V489-T492 PolarHBondContact O-OG1 3.43Å; V489-F493 PolarHBondContact O-N 2.89Å; V489-N546 VanDerWaalsContact CA-OD1 3.26Å; V489-N546 WeakPolarHBondContact CA-OD1 3.31Å; V489-N546 WeakPolarHBondContact CB-OD1 3.45Å
490	G	91.4	Very high	94.5	Very high	8 Å²	8	56 Å²	56	8%	0.082	30%	0.302	C	S	.	.	H	α-helix	trans	-52.5	-44.4	-173	0	0	0	0	0	113.2	S474 T492 F493 N546	S474-G490 PolarHBondContact OG-N 2.87Å; G490-T492 PolarHBondContact O-N 2.9Å; G490-F493 WeakPolarHBondContact O-CB 3.37Å; G490-F493 PolarHBondContact O-N 2.98Å; G490-N546 PolarHBondContact N-OD1 3.16Å
491	S	88.2	Confident	94.6	Very high	73 Å²	73	55.3 Å²	55.3	51%	0.51	30%	0.298	S	S	.	.	H	α-helix	trans	-67.1	-18.2	177.4	56.7	0	0	0	0	114.6	S474 P477 V489	S474-S491 WeakPolarHBondContact OG-CB 3.47Å; S474-S491 PolarHBondContact OG-N 3.35Å; S474-S491 PolarHBondContact OG-OG 3.2Å; P477-S491 WeakPolarHBondContact CG-OG 3.37Å; V489-S491 VanDerWaalsContact C-N 3.29Å; V489-S491 WeakPolarHBondContact CG2-OG 3.3Å; V489-S491 PolarHBondContact O-N 2.79Å; V489-S491 VanDerWaalsContact O-N 3.17Å
492	T	93.4	Very high	94.8	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-106.2	-9.4	176.8	62.5	0	0	0	0	113.6	P477 V489 G490 R494 R495 V496	P477-T492 HydrophobicContact CB-CG2 3.78Å; P477-T492 HydrophobicContact CG-CG2 3.85Å; V489-T492 HydrophobicContact CG2-CG2 3.78Å; V489-T492 WeakPolarHBondContact CG2-OG1 3.48Å; V489-T492 PolarHBondContact N-OG1 2.9Å; V489-T492 CarbonylContact O-C 3.56Å; V489-T492 WeakPolarHBondContact O-CA 3.32Å; V489-T492 PolarHBondContact O-N 3Å; V489-T492 PolarHBondContact O-OG1 3.43Å; G490-T492 PolarHBondContact O-N 2.9Å; T492-R494 PolarHBondContact O-N 2.96Å; T492-R495 VanDerWaalsContact CG2-NH2 3.29Å; T492-R495 PolarHBondContact O-N 2.75Å; T492-R495 VanDerWaalsContact O-N 3.11Å; T492-V496 PolarHBondContact O-N 2.93Å
493	F	95.3	Very high	95.2	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-52.4	-54.5	-174.1	-172.8	-86	0	0	0	111.5	V488 V489 G490 R495 V496 V497 Y498 I506 L508 M541 D549 Y552	V488-F493 VanDerWaalsContact CG1-CA 3.5Å; V488-F493 HydrophobicContact CG1-CB 4.04Å; V488-F493 HydrophobicContact CG1-CD2 3.93Å; V488-F493 HydrophobicContact CG1-CG 4.38Å; V489-F493 PolarHBondContact O-N 2.89Å; G490-F493 WeakPolarHBondContact O-CB 3.37Å; G490-F493 PolarHBondContact O-N 2.98Å; F493-R495 PolarHBondContact O-N 2.62Å; F493-V496 PolarHBondContact O-N 3.22Å; F493-V497 HydrophobicContact CD1-CB 4.29Å; F493-V497 HydrophobicContact CD1-CG2 4.23Å; F493-V497 HydrophobicContact CD2-CG2 4.01Å; F493-V497 HydrophobicContact CE1-CB 4.06Å; F493-V497 HydrophobicContact CE1-CG1 4.15Å; F493-V497 HydrophobicContact CE1-CG2 4.11Å; F493-V497 HydrophobicContact CE2-CG2 3.93Å; F493-V497 HydrophobicContact CG-CG2 4.18Å; F493-V497 HydrophobicContact CZ-CB 4.3Å; F493-V497 HydrophobicContact CZ-CG1 4.18Å; F493-V497 HydrophobicContact CZ-CG2 3.97Å; F493-V497 VanDerWaalsContact O-CB 3.28Å; F493-V497 WeakPolarHBondContact O-CB 3.42Å; F493-V497 WeakPolarHBondContact O-CG2 3.23Å; F493-V497 PolarHBondContact O-N 3.12Å; F493-Y498 HydrophobicContact CE1-CE2 4.17Å; F493-I506 HydrophobicContact CD2-CD1 4.08Å; F493-I506 HydrophobicContact CE2-CD1 3.64Å; F493-I506 HydrophobicContact CZ-CD1 4.48Å; F493-L508 HydrophobicContact CE2-CD2 4.26Å; F493-M541 HydrophobicContact CD2-CE 3.53Å; F493-M541 HydrophobicContact CD2-SD 3.64Å; F493-M541 HydrophobicContact CE2-CE 3.73Å; F493-M541 HydrophobicContact CE2-SD 4.34Å; F493-D549 HydrophobicContact CD1-CB 4.06Å; F493-D549 HydrophobicContact CE1-CB 3.69Å; F493-Y552 AromaticContact CE1-CD2 3.81Å; F493-Y552 HydrophobicContact CE1-CD2 3.81Å; F493-Y552 HydrophobicContact CE1-CE2 4.08Å; F493-Y552 HydrophobicContact CE1-CG 4.22Å; F493-Y552 HydrophobicContact CZ-CD1 4.04Å; F493-Y552 AromaticContact CZ-CD2 3.77Å; F493-Y552 HydrophobicContact CZ-CD2 3.77Å; F493-Y552 HydrophobicContact CZ-CE1 4.47Å; F493-Y552 HydrophobicContact CZ-CE2 4.26Å; F493-Y552 AromaticContact CZ-CG 3.68Å; F493-Y552 HydrophobicContact CZ-CG 3.68Å
494	R	91.8	Very high	95.5	Very high	179 Å²	179	46.7 Å²	46.7	68%	0.675	23%	0.231	S	C	*	.	H	α-helix	trans	-61.3	-43.9	179.8	-167.6	173.1	-176.1	156.5	-1.8	112.1	T492 V496 Y498	T492-R494 PolarHBondContact O-N 2.96Å; R494-V496 VanDerWaalsContact C-N 3.3Å; R494-V496 PolarHBondContact O-N 2.76Å; R494-Y498 HydrophobicContact CG-CD2 4.14Å; R494-Y498 HydrophobicContact CG-CG 4.2Å; R494-Y498 WeakPolarHBondContact O-CA 3.38Å; R494-Y498 WeakPolarHBondContact O-CB 3.46Å; R494-Y498 PolarHBondContact O-N 3.44Å
495	R	93.6	Very high	95.6	Very high	180 Å²	180	44.4 Å²	44.4	68%	0.679	22%	0.217	S	C	*	.	H	α-helix	trans	-60.6	-39.5	-179.6	-177.4	-179.9	65.3	-173.7	0.3	112.4	T492 F493	T492-R495 VanDerWaalsContact CG2-NH2 3.29Å; T492-R495 PolarHBondContact O-N 2.75Å; T492-R495 VanDerWaalsContact O-N 3.11Å; F493-R495 PolarHBondContact O-N 2.62Å
496	V	95.7	Very high	95.6	Very high	25 Å²	25	44.1 Å²	44.1	15%	0.152	22%	0.215	C	C	.	.	H	α-helix	trans	-87.1	-52.3	-176.3	178.7	0	0	0	0	111.3	T486 V488 T492 F493 R494 D499	T486-V496 HydrophobicContact CG2-CG1 4.13Å; V488-V496 HydrophobicContact CG2-CB 4Å; V488-V496 HydrophobicContact CG2-CG1 3.75Å; V488-V496 HydrophobicContact CG2-CG2 4.28Å; T492-V496 PolarHBondContact O-N 2.93Å; F493-V496 PolarHBondContact O-N 3.22Å; R494-V496 VanDerWaalsContact C-N 3.3Å; R494-V496 PolarHBondContact O-N 2.76Å; V496-D499 PolarHBondContact O-N 3.39Å
497	V	97.4	Very high	95.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-74.4	-36.8	-171.6	-176.8	0	0	0	0	111.6	F493 D499 V504 I506 Y552 A563 K568	F493-V497 HydrophobicContact CD1-CB 4.29Å; F493-V497 HydrophobicContact CD1-CG2 4.23Å; F493-V497 HydrophobicContact CD2-CG2 4.01Å; F493-V497 HydrophobicContact CE1-CB 4.06Å; F493-V497 HydrophobicContact CE1-CG1 4.15Å; F493-V497 HydrophobicContact CE1-CG2 4.11Å; F493-V497 HydrophobicContact CE2-CG2 3.93Å; F493-V497 HydrophobicContact CG-CG2 4.18Å; F493-V497 HydrophobicContact CZ-CB 4.3Å; F493-V497 HydrophobicContact CZ-CG1 4.18Å; F493-V497 HydrophobicContact CZ-CG2 3.97Å; F493-V497 VanDerWaalsContact O-CB 3.28Å; F493-V497 WeakPolarHBondContact O-CB 3.42Å; F493-V497 WeakPolarHBondContact O-CG2 3.23Å; F493-V497 PolarHBondContact O-N 3.12Å; V497-D499 VanDerWaalsContact C-N 3.31Å; V497-D499 PolarHBondContact O-N 3.47Å; V497-V504 HydrophobicContact CG2-CG1 4.47Å; V497-I506 HydrophobicContact CG2-CD1 3.56Å; V497-Y552 HydrophobicContact CG1-CE1 3.8Å; V497-Y552 HydrophobicContact CG1-CE2 4.28Å; V497-Y552 WeakPolarHBondContact CG1-OH 3.41Å; V497-A563 HydrophobicContact CG1-CB 3.84Å; V497-K568 VanDerWaalsContact O-CD 3.32Å; V497-K568 WeakPolarHBondContact O-CD 3.16Å; V497-K568 WeakPolarHBondContact O-CE 3.38Å; V497-K568 PolarHBondContact O-NZ 2.94Å
498	Y	96.1	Very high	95.7	Very high	32 Å²	32	40.6 Å²	40.6	13%	0.125	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	16.1	178.3	-70.8	-113.1	0	0	0	113.7	F493 R494 E500 D549 N551 Y552 K568 K569	F493-Y498 HydrophobicContact CE1-CE2 4.17Å; R494-Y498 HydrophobicContact CG-CD2 4.14Å; R494-Y498 HydrophobicContact CG-CG 4.2Å; R494-Y498 WeakPolarHBondContact O-CA 3.38Å; R494-Y498 WeakPolarHBondContact O-CB 3.46Å; R494-Y498 PolarHBondContact O-N 3.44Å; Y498-E500 PolarHBondContact O-N 2.99Å; Y498-D549 HydrophobicContact CE2-CB 4.33Å; Y498-D549 VanDerWaalsContact OH-CG 3.3Å; Y498-D549 PolarHBondContact OH-OD1 3.11Å; Y498-D549 VanDerWaalsContact OH-OD1 3.08Å; Y498-N551 PolarHBondContact OH-ND2 2.85Å; Y498-Y552 AromaticContact CE2-CE2 3.89Å; Y498-Y552 HydrophobicContact CE2-CE2 3.89Å; Y498-K568 HydrophobicContact CD1-CB 3.41Å; Y498-K568 VanDerWaalsContact CD1-CB 3.41Å; Y498-K568 HydrophobicContact CD1-CG 4.23Å; Y498-K568 HydrophobicContact CE1-CB 3.76Å; Y498-K568 HydrophobicContact CG-CB 3.92Å; Y498-K568 HydrophobicContact CG-CG 4.46Å; Y498-K569 HydrophobicContact CE1-CG 3.92Å
499	D	95.2	Very high	95.7	Very high	58 Å²	58	43 Å²	43	31%	0.31	20%	0.202	S	C	.	.			trans	-62.7	105.9	169.8	-176.7	-13.4	0	0	0	109.6	V496 V497 T501 K502 K568	V496-D499 PolarHBondContact O-N 3.39Å; V497-D499 VanDerWaalsContact C-N 3.31Å; V497-D499 PolarHBondContact O-N 3.47Å; D499-T501 PolarHBondContact O-N 3.24Å; D499-T501 VanDerWaalsContact O-N 3.08Å; D499-T501 WeakPolarHBondContact OD1-CB 3.4Å; D499-T501 PolarHBondContact OD1-N 2.79Å; D499-T501 PolarHBondContact OD1-OG1 3.21Å; D499-T501 PolarHBondContact OD2-OG1 3.2Å; D499-K502 HydrophobicContact CB-CG 4.48Å; D499-K502 PolarHBondContact O-N 3.03Å; D499-K502 VanDerWaalsContact O-O 3.14Å; D499-K502 WeakPolarHBondContact OD2-CG 3.4Å; D499-K568 WeakPolarHBondContact O-CE 3.47Å; D499-K568 PolarHBondContact O-NZ 3.45Å
500	E	95.8	Very high	95.7	Very high	108 Å²	108	42.8 Å²	42.8	51%	0.505	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-6.7	-177.9	-66.2	-65.4	177.7	0	0	113.5	Y498 G566 K568	Y498-E500 PolarHBondContact O-N 2.99Å; E500-G566 WeakPolarHBondContact OE2-CA 3.38Å; E500-G566 PolarHBondContact OE2-N 3.43Å; E500-K568 WeakPolarHBondContact OE1-CG 3.43Å
501	T	95.2	Very high	95.9	Very high	96 Å²	96	45.4 Å²	45.4	59%	0.589	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.3	177.7	75.3	0	0	0	0	113.6	D499	D499-T501 PolarHBondContact O-N 3.24Å; D499-T501 VanDerWaalsContact O-N 3.08Å; D499-T501 WeakPolarHBondContact OD1-CB 3.4Å; D499-T501 PolarHBondContact OD1-N 2.79Å; D499-T501 PolarHBondContact OD1-OG1 3.21Å; D499-T501 PolarHBondContact OD2-OG1 3.2Å
502	K	96.6	Very high	96.1	Very high	70 Å²	70	50.4 Å²	50.4	30%	0.304	23%	0.225	S	C	.	.	S	Bend	trans	-130.2	150.6	-173.8	-55	-62.9	175.1	-175.4	0	112.1	D499 V504 G535 V537 K568	D499-K502 HydrophobicContact CB-CG 4.48Å; D499-K502 PolarHBondContact O-N 3.03Å; D499-K502 VanDerWaalsContact O-O 3.14Å; D499-K502 WeakPolarHBondContact OD2-CG 3.4Å; K502-V504 HydrophobicContact CB-CG2 4.36Å; K502-G535 CarbonylContact C-O 3.46Å; K502-G535 VanDerWaalsContact CA-O 3.24Å; K502-G535 WeakPolarHBondContact CA-O 3.19Å; K502-V537 HydrophobicContact CB-CG2 4.11Å; K502-V537 HydrophobicContact CD-CG2 4.5Å; K502-V537 HydrophobicContact CG-CG2 4.09Å; K502-K568 WeakPolarHBondContact O-CE 3.35Å; K502-K568 PolarHBondContact O-NZ 3.37Å
503	D	98	Very high	96.1	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.5	158.7	-60.3	-39.1	0	0	0	108.4	G535 V536 V537 L562 A563 L564 K565 S591	D503-G535 PolarHBondContact N-O 3.39Å; D503-V536 CarbonylContact O-C 3.56Å; D503-V536 WeakPolarHBondContact O-CA 3.08Å; D503-V537 PolarHBondContact O-N 2.76Å; D503-L562 HydrophobicContact CB-CD1 4.4Å; D503-A563 WeakPolarHBondContact CA-O 3.33Å; D503-L564 HydrophobicContact CB-CD2 4.42Å; D503-L564 VanDerWaalsContact OD1-CA 3.26Å; D503-L564 WeakPolarHBondContact OD1-CA 3.46Å; D503-K565 PolarHBondContact OD1-N 3.05Å; D503-S591 VanDerWaalsContact OD2-CB 3.27Å; D503-S591 WeakPolarHBondContact OD2-CB 3.34Å; D503-S591 PolarHBondContact OD2-OG 3.23Å
504	V	98.4	Very high	96.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.4	-176.2	-174.1	0	0	0	0	109.7	V497 K502 V537 A539 L562 A563	V497-V504 HydrophobicContact CG2-CG1 4.47Å; K502-V504 HydrophobicContact CB-CG2 4.36Å; V504-V537 WeakPolarHBondContact CA-O 3.4Å; V504-V537 HydrophobicContact CG1-CB 4.36Å; V504-V537 HydrophobicContact CG1-CG1 4.45Å; V504-V537 HydrophobicContact CG2-CB 4.21Å; V504-A539 HydrophobicContact CG1-CB 4.15Å; V504-L562 CarbonylContact O-C 3.58Å; V504-L562 WeakPolarHBondContact O-CA 3.26Å; V504-A563 HydrophobicContact CB-CB 4.28Å; V504-A563 PolarHBondContact N-O 3.27Å; V504-A563 PolarHBondContact O-N 3.04Å
505	L	98.6	Very high	96.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.8	166.3	-167.5	74.1	0	0	0	107.5	Y523 L526 V537 I538 A539 I560 Y561 L562 F586 L587	L505-Y523 HydrophobicContact CD2-CE2 3.99Å; L505-Y523 WeakPolarHBondContact CG-OH 3.25Å; L505-Y523 PolarHBondContact O-OH 3.35Å; L505-Y523 VanDerWaalsContact O-OH 3.1Å; L505-L526 HydrophobicContact CD2-CD2 3.78Å; L505-V537 PolarHBondContact N-O 3.24Å; L505-I538 HydrophobicContact CB-CD1 3.8Å; L505-I538 HydrophobicContact CD2-CD1 4.11Å; L505-A539 PolarHBondContact O-N 2.87Å; L505-I560 HydrophobicContact CD1-CG2 3.8Å; L505-I560 HydrophobicContact CG-CG2 4.01Å; L505-Y561 CarbonylContact C-O 3.57Å; L505-Y561 WeakPolarHBondContact CA-O 3.38Å; L505-L562 HydrophobicContact CD1-CB 3.97Å; L505-L562 HydrophobicContact CD1-CD1 4.38Å; L505-F586 HydrophobicContact CD1-CE1 4.27Å; L505-L587 HydrophobicContact CB-CD2 4.3Å; L505-L587 HydrophobicContact CD1-CD2 4.32Å; L505-L587 HydrophobicContact CD2-CD1 4.28Å
506	I	98.6	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	-178.4	-173.9	162.9	0	0	0	111.5	V488 F493 V497 L508 A539 M541 Y552 I560 Y561	V488-I506 HydrophobicContact CB-CD1 4.32Å; V488-I506 HydrophobicContact CG1-CD1 4.32Å; V488-I506 HydrophobicContact CG2-CD1 4.39Å; F493-I506 HydrophobicContact CD2-CD1 4.08Å; F493-I506 HydrophobicContact CE2-CD1 3.64Å; F493-I506 HydrophobicContact CZ-CD1 4.48Å; V497-I506 HydrophobicContact CG2-CD1 3.56Å; I506-L508 HydrophobicContact CD1-CD2 4.11Å; I506-L508 HydrophobicContact CG1-CD2 4.07Å; I506-A539 CarbonylContact C-O 3.47Å; I506-A539 VanDerWaalsContact CA-O 3.31Å; I506-A539 WeakPolarHBondContact CA-O 3.09Å; I506-A539 HydrophobicContact CB-CB 4.31Å; I506-A539 HydrophobicContact CD1-CB 4.49Å; I506-A539 HydrophobicContact CG1-CB 4.23Å; I506-M541 HydrophobicContact CD1-CB 4.35Å; I506-Y552 HydrophobicContact CG2-CD1 4.32Å; I506-Y552 HydrophobicContact CG2-CE1 4.33Å; I506-I560 WeakPolarHBondContact O-CA 3.47Å; I506-Y561 PolarHBondContact N-O 2.81Å; I506-Y561 PolarHBondContact O-N 3.09Å
507	E	98.6	Very high	96.8	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.023	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.4	167.5	-174.7	-167.9	-178.2	0	0	110.4	L519 Y523 A539 K540 M541 P558 I560	E507-L519 HydrophobicContact CG-CD2 4.29Å; E507-L519 WeakPolarHBondContact OE1-CD2 3.31Å; E507-Y523 HydrophobicContact CB-CD1 4.42Å; E507-Y523 HydrophobicContact CB-CE1 3.88Å; E507-Y523 HydrophobicContact CB-CE2 4.23Å; E507-Y523 PolarHBondContact N-OH 3.01Å; E507-A539 PolarHBondContact N-O 3.36Å; E507-K540 HydrophobicContact CB-CB 4.37Å; E507-K540 CarbonylContact O-C 3.51Å; E507-K540 WeakPolarHBondContact O-CA 3.09Å; E507-M541 PolarHBondContact O-N 3.33Å; E507-P558 HydrophobicContact CG-CB 4Å; E507-P558 WeakPolarHBondContact OE1-CB 3.28Å; E507-I560 HydrophobicContact CB-CG1 4.37Å; E507-I560 HydrophobicContact CG-CG1 4.22Å
508	L	98.5	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.8	170.4	-55.5	178.5	0	0	0	108	F493 I506 M541 A543 V554 P558 T559 Y561	F493-L508 HydrophobicContact CE2-CD2 4.26Å; I506-L508 HydrophobicContact CD1-CD2 4.11Å; I506-L508 HydrophobicContact CG1-CD2 4.07Å; L508-M541 HydrophobicContact CD2-CB 4.02Å; L508-M541 HydrophobicContact CD2-CE 3.67Å; L508-A543 HydrophobicContact CB-CB 4.16Å; L508-V554 HydrophobicContact CB-CG2 3.97Å; L508-V554 HydrophobicContact CD1-CG2 3.49Å; L508-V554 VanDerWaalsContact CD1-CG2 3.49Å; L508-V554 HydrophobicContact CG-CG2 4.3Å; L508-P558 WeakPolarHBondContact O-CA 3.47Å; L508-T559 WeakPolarHBondContact CB-O 3.42Å; L508-T559 PolarHBondContact N-O 2.9Å; L508-T559 PolarHBondContact O-N 3.36Å; L508-Y561 HydrophobicContact CD1-CD2 4Å; L508-Y561 HydrophobicContact CD1-CE2 4.21Å
509	Y	98.2	Very high	96.9	Very high	50 Å²	50	48.5 Å²	48.5	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	166.4	-170.3	76.1	-89.8	0	0	0	112.8	P511 C516 K540 M541 N542 A543	Y509-P511 HydrophobicContact CE2-CG 4.38Å; Y509-C516 VanDerWaalsContact CB-SG 3.53Å; Y509-K540 HydrophobicContact CD1-CB 4.15Å; Y509-K540 HydrophobicContact CE1-CB 4Å; Y509-K540 HydrophobicContact CE1-CD 4.14Å; Y509-K540 HydrophobicContact CE1-CG 4Å; Y509-M541 WeakPolarHBondContact CD1-O 3.19Å; Y509-M541 PolarHBondContact N-O 3.1Å; Y509-N542 HydrophobicContact CE1-CB 4.28Å; Y509-N542 VanDerWaalsContact CE1-N 3.29Å; Y509-N542 HydrophobicContact CE2-CB 4.11Å; Y509-N542 CarbonylContact O-C 3.6Å; Y509-N542 WeakPolarHBondContact O-CA 3.27Å; Y509-A543 PolarHBondContact O-N 3.02Å
510	A	96.3	Very high	97	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.			trans	-121.2	134.5	168.9	0	0	0	0	0	110	W512 C513 V544 F557	A510-W512 HydrophobicContact CB-CD2 4.21Å; A510-W512 HydrophobicContact CB-CH2 4.47Å; A510-W512 HydrophobicContact CB-CZ2 3.95Å; A510-W512 PolarHBondContact O-N 3.15Å; A510-W512 VanDerWaalsContact O-N 3.12Å; A510-C513 HydrophobicContact CB-CB 4.11Å; A510-C513 WeakPolarHBondContact O-CB 3.45Å; A510-C513 PolarHBondContact O-N 3.1Å; A510-V544 HydrophobicContact CB-CG2 3.5Å; A510-F557 HydrophobicContact CB-CB 4.3Å; A510-F557 HydrophobicContact CB-CD1 3.82Å; A510-F557 HydrophobicContact CB-CD2 3.64Å; A510-F557 HydrophobicContact CB-CE1 3.94Å; A510-F557 HydrophobicContact CB-CE2 3.8Å; A510-F557 HydrophobicContact CB-CG 3.65Å; A510-F557 HydrophobicContact CB-CZ 3.94Å
511	P	95.3	Very high	97.1	Very high	63 Å²	63	48.2 Å²	48.2	41%	0.409	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.4	-175.3	-27.2	34.4	0	0	0	114.6	Y509 K517 N542	Y509-P511 HydrophobicContact CE2-CG 4.38Å; P511-K517 WeakPolarHBondContact O-CE 3.35Å; P511-N542 VanDerWaalsContact CD-OD1 3.27Å; P511-N542 WeakPolarHBondContact CD-OD1 3.28Å
512	W	91	Very high	97.3	Very high	178 Å²	178	46 Å²	46	67%	0.674	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.9	179.9	50.2	-102.5	0	0	0	113.8	A510 G514 F557	A510-W512 HydrophobicContact CB-CD2 4.21Å; A510-W512 HydrophobicContact CB-CH2 4.47Å; A510-W512 HydrophobicContact CB-CZ2 3.95Å; A510-W512 PolarHBondContact O-N 3.15Å; A510-W512 VanDerWaalsContact O-N 3.12Å; W512-G514 PolarHBondContact O-N 2.95Å; W512-F557 HydrophobicContact CH2-CD2 4.2Å; W512-F557 HydrophobicContact CH2-CE2 4.47Å; W512-F557 HydrophobicContact CZ2-CD2 4.42Å; W512-F557 HydrophobicContact CZ2-CE2 4.32Å
513	C	95.1	Very high	97.4	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.088	23%	0.229	C	C	.	.			trans	-77.5	120.2	-175.7	179.4	0	0	0	0	112.3	A510 H515 C516 K517 F557	A510-C513 HydrophobicContact CB-CB 4.11Å; A510-C513 WeakPolarHBondContact O-CB 3.45Å; A510-C513 PolarHBondContact O-N 3.1Å; C513-H515 VanDerWaalsContact C-N 3.31Å; C513-H515 PolarHBondContact O-N 2.91Å; C513-C516 HydrophobicContact CB-CB 3.95Å; C513-C516 VanDerWaalsContact CB-SG 3.59Å; C513-C516 PolarHBondContact O-N 3.19Å; C513-C516 VanDerWaalsContact SG-SG 3.6Å; C513-K517 WeakPolarHBondContact O-CG 3.4Å; C513-K517 PolarHBondContact O-N 2.85Å; C513-K517 VanDerWaalsContact O-N 3.12Å; C513-F557 HydrophobicContact CB-CB 4.01Å
514	G	96.8	Very high	97.4	Very high	54 Å²	54	45.6 Å²	45.6	56%	0.557	24%	0.243	S	C	*	.	H	α-helix	trans	-60.7	-36.1	177.8	0	0	0	0	0	113.8	W512 K517 A518	W512-G514 PolarHBondContact O-N 2.95Å; G514-K517 PolarHBondContact O-N 2.88Å; G514-A518 PolarHBondContact O-N 2.87Å
515	H	96.5	Very high	97.4	Very high	120 Å²	120	51.1 Å²	51.1	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-67.4	-36.1	176.2	-68.5	154.2	0	0	0	113.3	C513 L519	C513-H515 VanDerWaalsContact C-N 3.31Å; C513-H515 PolarHBondContact O-N 2.91Å; H515-L519 WeakPolarHBondContact O-CB 3.15Å; H515-L519 PolarHBondContact O-N 2.84Å; H515-L519 VanDerWaalsContact O-N 3.11Å
516	C	97.8	Very high	97.4	Very high	6 Å²	6	51 Å²	51	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-45.1	174.6	-64.1	0	0	0	0	110.9	Y509 C513 A518 L519 E520	Y509-C516 VanDerWaalsContact CB-SG 3.53Å; C513-C516 HydrophobicContact CB-CB 3.95Å; C513-C516 VanDerWaalsContact CB-SG 3.59Å; C513-C516 PolarHBondContact O-N 3.19Å; C513-C516 VanDerWaalsContact SG-SG 3.6Å; C516-A518 VanDerWaalsContact C-N 3.28Å; C516-A518 PolarHBondContact O-N 2.75Å; C516-L519 PolarHBondContact O-N 3.46Å; C516-E520 PolarHBondContact O-N 2.82Å
517	K	98	Very high	97.3	Very high	125 Å²	125	51.4 Å²	51.4	54%	0.543	27%	0.271	S	S	.	.	H	α-helix	trans	-59	-39.3	176.4	-67.7	179.4	-177.4	-178.2	0	112.4	P511 C513 G514 P521	P511-K517 WeakPolarHBondContact O-CE 3.35Å; C513-K517 WeakPolarHBondContact O-CG 3.4Å; C513-K517 PolarHBondContact O-N 2.85Å; C513-K517 VanDerWaalsContact O-N 3.12Å; G514-K517 PolarHBondContact O-N 2.88Å; K517-P521 WeakPolarHBondContact O-CD 3.36Å
518	A	98	Very high	97.3	Very high	66 Å²	66	57.1 Å²	57.1	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-69.7	-31.2	176	0	0	0	0	0	113	G514 C516	G514-A518 PolarHBondContact O-N 2.87Å; C516-A518 VanDerWaalsContact C-N 3.28Å; C516-A518 PolarHBondContact O-N 2.75Å
519	L	98.2	Very high	97.2	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-79.1	-31.6	179.1	177	60.6	0	0	0	112.6	E507 H515 C516 I522 Y523 P558 I560 R578 M583	E507-L519 HydrophobicContact CG-CD2 4.29Å; E507-L519 WeakPolarHBondContact OE1-CD2 3.31Å; H515-L519 WeakPolarHBondContact O-CB 3.15Å; H515-L519 PolarHBondContact O-N 2.84Å; H515-L519 VanDerWaalsContact O-N 3.11Å; C516-L519 PolarHBondContact O-N 3.46Å; L519-I522 HydrophobicContact CD1-CB 4.26Å; L519-I522 HydrophobicContact CD1-CG2 4.45Å; L519-I522 CarbonylContact O-C 3.45Å; L519-I522 WeakPolarHBondContact O-CA 3.35Å; L519-I522 WeakPolarHBondContact O-CB 3.29Å; L519-I522 PolarHBondContact O-N 2.84Å; L519-Y523 HydrophobicContact CD1-CD2 4.43Å; L519-Y523 HydrophobicContact CG-CD2 4.49Å; L519-Y523 PolarHBondContact O-N 2.89Å; L519-P558 HydrophobicContact CD2-CB 4.09Å; L519-P558 HydrophobicContact CD2-CG 3.78Å; L519-I560 HydrophobicContact CD2-CD1 3.74Å; L519-R578 HydrophobicContact CD1-CB 4.02Å; L519-R578 HydrophobicContact CD1-CG 4.3Å; L519-M583 HydrophobicContact CD1-CE 4.11Å
520	E	97.8	Very high	97.1	Very high	80 Å²	80	58.4 Å²	58.4	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-46.7	-53.2	-175.2	-177.3	163.3	-137.2	0	0	114.8	C516 I522 Y523 E524 K540	C516-E520 PolarHBondContact O-N 2.82Å; E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 3.14Å; E520-Y523 PolarHBondContact O-N 2.84Å; E520-E524 PolarHBondContact O-N 3.42Å; E520-K540 IonicContact OE1-NZ 2.78Å; E520-K540 PolarHBondContact OE1-NZ 3.24Å
521	P	98	Very high	96.8	Very high	79 Å²	79	67.5 Å²	67.5	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-64.2	-34.2	179	24.4	-34	0	0	0	113.2	K517 E525	K517-P521 WeakPolarHBondContact O-CD 3.36Å; P521-E525 WeakPolarHBondContact O-CB 3.31Å; P521-E525 PolarHBondContact O-N 3.18Å
522	I	98.5	Very high	96.7	Very high	49 Å²	49	69.6 Å²	69.6	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-70.2	-39.4	178.4	-55.8	175.9	0	0	0	110	L519 E520 E525 L526 R578 V580 M583	L519-I522 HydrophobicContact CD1-CB 4.26Å; L519-I522 HydrophobicContact CD1-CG2 4.45Å; L519-I522 CarbonylContact O-C 3.45Å; L519-I522 WeakPolarHBondContact O-CA 3.35Å; L519-I522 WeakPolarHBondContact O-CB 3.29Å; L519-I522 PolarHBondContact O-N 2.84Å; E520-I522 VanDerWaalsContact C-N 3.3Å; E520-I522 PolarHBondContact O-N 3.14Å; I522-E525 PolarHBondContact O-N 3.37Å; I522-L526 WeakPolarHBondContact O-CB 3.27Å; I522-L526 PolarHBondContact O-N 2.87Å; I522-R578 VanDerWaalsContact CD1-O 3.28Å; I522-R578 WeakPolarHBondContact CD1-O 3.14Å; I522-V580 HydrophobicContact CG2-CG2 3.83Å; I522-M583 HydrophobicContact CG2-CE 3.83Å
523	Y	98.4	Very high	96.8	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-71	-36.7	179.8	-151.9	-106.9	0	0	0	111.8	V485 L505 E507 L519 E520 L526 A527 I538 A539 M583	V485-Y523 HydrophobicContact CG1-CD1 4.09Å; V485-Y523 HydrophobicContact CG1-CE1 4.08Å; V485-Y523 HydrophobicContact CG2-CD1 4.08Å; L505-Y523 HydrophobicContact CD2-CE2 3.99Å; L505-Y523 WeakPolarHBondContact CG-OH 3.25Å; L505-Y523 PolarHBondContact O-OH 3.35Å; L505-Y523 VanDerWaalsContact O-OH 3.1Å; E507-Y523 HydrophobicContact CB-CD1 4.42Å; E507-Y523 HydrophobicContact CB-CE1 3.88Å; E507-Y523 HydrophobicContact CB-CE2 4.23Å; E507-Y523 PolarHBondContact N-OH 3.01Å; L519-Y523 HydrophobicContact CD1-CD2 4.43Å; L519-Y523 HydrophobicContact CG-CD2 4.49Å; L519-Y523 PolarHBondContact O-N 2.89Å; E520-Y523 PolarHBondContact O-N 2.84Å; Y523-L526 HydrophobicContact CD2-CD2 4.32Å; Y523-L526 HydrophobicContact CE2-CD2 4.27Å; Y523-L526 PolarHBondContact O-N 3.44Å; Y523-A527 PolarHBondContact O-N 3.33Å; Y523-I538 HydrophobicContact CD1-CG2 3.83Å; Y523-I538 HydrophobicContact CE1-CG2 3.29Å; Y523-I538 HydrophobicContact CE2-CG2 4.39Å; Y523-A539 WeakPolarHBondContact CE1-O 3.32Å; Y523-A539 PolarHBondContact OH-O 3.35Å; Y523-M583 HydrophobicContact CD2-CE 4.31Å; Y523-M583 HydrophobicContact CD2-SD 4.01Å; Y523-M583 HydrophobicContact CE2-SD 4.12Å
524	E	98.3	Very high	96.6	Very high	64 Å²	64	67.8 Å²	67.8	30%	0.299	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-40.6	169.3	-73.2	-166.9	174.1	0	0	112.8	P484 V485 E520 A527 K528	P484-E524 HydrophobicContact CG-CB 4.21Å; P484-E524 HydrophobicContact CG-CG 4.36Å; V485-E524 HydrophobicContact CG2-CG 4.12Å; E520-E524 PolarHBondContact O-N 3.42Å; E524-A527 PolarHBondContact O-N 2.91Å; E524-K528 VanDerWaalsContact O-CG 3.29Å; E524-K528 WeakPolarHBondContact O-CG 3.36Å; E524-K528 PolarHBondContact O-N 3.23Å; E524-K528 IonicContact OE2-NZ 3.91Å
525	E	98.3	Very high	96.5	Very high	116 Å²	116	66 Å²	66	54%	0.542	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-42.3	175.9	-170.5	-176.8	172.4	0	0	111.5	P521 I522 A527 K528 S529 V580	P521-E525 WeakPolarHBondContact O-CB 3.31Å; P521-E525 PolarHBondContact O-N 3.18Å; I522-E525 PolarHBondContact O-N 3.37Å; E525-A527 PolarHBondContact O-N 3.36Å; E525-K528 PolarHBondContact O-N 2.69Å; E525-S529 PolarHBondContact O-N 2.7Å; E525-V580 HydrophobicContact CB-CG2 3.92Å; E525-V580 HydrophobicContact CG-CG2 3.93Å
526	L	98.4	Very high	96.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57	-47.9	171.7	176.8	70	0	0	0	111.5	L505 I522 Y523 K528 S529 L530 I538 V580 M583 T584	L505-L526 HydrophobicContact CD2-CD2 3.78Å; I522-L526 WeakPolarHBondContact O-CB 3.27Å; I522-L526 PolarHBondContact O-N 2.87Å; Y523-L526 HydrophobicContact CD2-CD2 4.32Å; Y523-L526 HydrophobicContact CE2-CD2 4.27Å; Y523-L526 PolarHBondContact O-N 3.44Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 2.93Å; L526-S529 PolarHBondContact O-N 3.26Å; L526-S529 PolarHBondContact O-OG 3.28Å; L526-L530 HydrophobicContact CD1-CD1 3.74Å; L526-L530 HydrophobicContact CD1-CG 4.25Å; L526-L530 HydrophobicContact CG-CD1 4.07Å; L526-L530 WeakPolarHBondContact O-CG 3.26Å; L526-L530 PolarHBondContact O-N 2.53Å; L526-L530 VanDerWaalsContact O-N 3.13Å; L526-I538 HydrophobicContact CD2-CD1 4.47Å; L526-V580 HydrophobicContact CB-CG1 4.47Å; L526-V580 HydrophobicContact CD1-CG1 4.2Å; L526-M583 HydrophobicContact CD1-CB 4.12Å; L526-M583 HydrophobicContact CD2-CB 3.76Å; L526-M583 HydrophobicContact CD2-CE 3.95Å; L526-M583 HydrophobicContact CD2-CG 4.4Å; L526-M583 HydrophobicContact CD2-SD 3.8Å; L526-T584 WeakPolarHBondContact CD1-OG1 3.45Å
527	A	98.2	Very high	96.6	Very high	8 Å²	8	62.6 Å²	62.6	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-36.5	178.8	0	0	0	0	0	112.6	P484 V485 Y523 E524 E525 K531 I538	P484-A527 HydrophobicContact CB-CB 3.76Å; P484-A527 HydrophobicContact CG-CB 4.21Å; V485-A527 HydrophobicContact CG2-CB 3.72Å; Y523-A527 PolarHBondContact O-N 3.33Å; E524-A527 PolarHBondContact O-N 2.91Å; E525-A527 PolarHBondContact O-N 3.36Å; A527-K531 PolarHBondContact O-N 2.72Å; A527-I538 HydrophobicContact CB-CB 3.79Å; A527-I538 HydrophobicContact CB-CG1 4.1Å; A527-I538 HydrophobicContact CB-CG2 3.87Å
528	K	97.8	Very high	96.6	Very high	125 Å²	125	57.2 Å²	57.2	54%	0.543	32%	0.321	S	S	.	.	H	α-helix	trans	-67.2	-43.3	174.2	-70.7	168.3	-167.7	166.7	0	111.8	P484 E524 E525 L526 L530 K531	P484-K528 HydrophobicContact CB-CG 3.82Å; P484-K528 HydrophobicContact CG-CG 3.92Å; E524-K528 VanDerWaalsContact O-CG 3.29Å; E524-K528 WeakPolarHBondContact O-CG 3.36Å; E524-K528 PolarHBondContact O-N 3.23Å; E524-K528 IonicContact OE2-NZ 3.91Å; E525-K528 PolarHBondContact O-N 2.69Å; L526-K528 VanDerWaalsContact C-N 3.3Å; L526-K528 PolarHBondContact O-N 2.93Å; K528-L530 VanDerWaalsContact C-N 3.26Å; K528-L530 PolarHBondContact O-N 3.39Å; K528-K531 WeakPolarHBondContact O-CB 3.48Å; K528-K531 PolarHBondContact O-N 3.26Å
529	S	96.6	Very high	96.6	Very high	63 Å²	63	54 Å²	54	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-68	-26.3	-177.5	74.7	0	0	0	0	113	E525 L526	E525-S529 PolarHBondContact O-N 2.7Å; L526-S529 PolarHBondContact O-N 3.26Å; L526-S529 PolarHBondContact O-OG 3.28Å
530	L	95.3	Very high	96.6	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.073	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6.5	179.3	-61.5	179.4	0	0	0	114.2	L526 K528 S532 V533 I538 T584 L587 F594	L526-L530 HydrophobicContact CD1-CD1 3.74Å; L526-L530 HydrophobicContact CD1-CG 4.25Å; L526-L530 HydrophobicContact CG-CD1 4.07Å; L526-L530 WeakPolarHBondContact O-CG 3.26Å; L526-L530 PolarHBondContact O-N 2.53Å; L526-L530 VanDerWaalsContact O-N 3.13Å; K528-L530 VanDerWaalsContact C-N 3.26Å; K528-L530 PolarHBondContact O-N 3.39Å; L530-S532 PolarHBondContact O-N 3.32Å; L530-S532 VanDerWaalsContact O-N 3.08Å; L530-V533 HydrophobicContact CD2-CG2 4.07Å; L530-V533 WeakPolarHBondContact O-CB 3.48Å; L530-V533 PolarHBondContact O-N 3.47Å; L530-I538 HydrophobicContact CD1-CD1 3.98Å; L530-I538 HydrophobicContact CD1-CG1 4.37Å; L530-T584 HydrophobicContact CD2-CG2 4.47Å; L530-L587 HydrophobicContact CD1-CD1 3.38Å; L530-F594 HydrophobicContact CD1-CZ 4.36Å; L530-F594 HydrophobicContact CD2-CE1 3.68Å; L530-F594 HydrophobicContact CD2-CZ 3.86Å
531	K	91.5	Very high	96.6	Very high	191 Å²	191	51.4 Å²	51.4	83%	0.83	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.8	-176.7	-170.5	177	-179.2	-178.3	0	113.9	A527 K528	A527-K531 PolarHBondContact O-N 2.72Å; K528-K531 WeakPolarHBondContact O-CB 3.48Å; K528-K531 PolarHBondContact O-N 3.26Å
532	S	91.5	Very high	96.6	Very high	106 Å²	106	48 Å²	48	74%	0.741	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.7	176.7	57.4	0	0	0	0	114.2	L530 T534	L530-S532 PolarHBondContact O-N 3.32Å; L530-S532 VanDerWaalsContact O-N 3.08Å; S532-T534 PolarHBondContact O-N 3.3Å
533	V	93.3	Very high	96.5	Very high	31 Å²	31	46.7 Å²	46.7	19%	0.188	26%	0.256	C	S	.	.			trans	-83.7	102.6	-179.3	-176.4	0	0	0	0	108.8	L530 V536 A593 F594	L530-V533 HydrophobicContact CD2-CG2 4.07Å; L530-V533 WeakPolarHBondContact O-CB 3.48Å; L530-V533 PolarHBondContact O-N 3.47Å; V533-V536 HydrophobicContact CG1-CB 4.46Å; V533-V536 HydrophobicContact CG1-CG2 3.81Å; V533-A593 HydrophobicContact CG1-CB 4.05Å; V533-F594 HydrophobicContact CB-CE1 4.47Å; V533-F594 HydrophobicContact CG1-CD1 4.3Å; V533-F594 HydrophobicContact CG1-CE1 4Å; V533-F594 HydrophobicContact CG1-CE2 4.22Å; V533-F594 HydrophobicContact CG1-CZ 3.95Å; V533-F594 HydrophobicContact CG2-CD1 4.4Å; V533-F594 HydrophobicContact CG2-CE1 3.88Å; V533-F594 HydrophobicContact CG2-CZ 4.42Å
534	T	92.3	Very high	96.2	Very high	123 Å²	123	49 Å²	49	76%	0.755	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	135.2	177.1	58.6	0	0	0	0	110.6	S532	S532-T534 PolarHBondContact O-N 3.3Å
535	G	94.7	Very high	95.9	Very high	17 Å²	17	48.7 Å²	48.7	18%	0.175	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-5.3	176.6	0	0	0	0	0	114.1	K502 D503	K502-G535 CarbonylContact C-O 3.46Å; K502-G535 VanDerWaalsContact CA-O 3.24Å; K502-G535 WeakPolarHBondContact CA-O 3.19Å; D503-G535 PolarHBondContact N-O 3.39Å
536	V	97.3	Very high	95.7	Very high	22 Å²	22	43.2 Å²	43.2	13%	0.133	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.9	175.8	-177.9	0	0	0	0	110.2	D503 V533 I538 A593 F594	D503-V536 CarbonylContact O-C 3.56Å; D503-V536 WeakPolarHBondContact O-CA 3.08Å; V533-V536 HydrophobicContact CG1-CB 4.46Å; V533-V536 HydrophobicContact CG1-CG2 3.81Å; V536-I538 HydrophobicContact CG1-CD1 3.9Å; V536-A593 HydrophobicContact CG2-CB 3.57Å; V536-F594 HydrophobicContact CG2-CE2 3.72Å; V536-F594 HydrophobicContact CG2-CZ 4.17Å
537	V	97.7	Very high	95.3	Very high	32 Å²	32	46 Å²	46	19%	0.194	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.9	171.8	178.4	0	0	0	0	108.7	K502 D503 V504 L505 A539	K502-V537 HydrophobicContact CB-CG2 4.11Å; K502-V537 HydrophobicContact CD-CG2 4.5Å; K502-V537 HydrophobicContact CG-CG2 4.09Å; D503-V537 PolarHBondContact O-N 2.76Å; V504-V537 WeakPolarHBondContact CA-O 3.4Å; V504-V537 HydrophobicContact CG1-CB 4.36Å; V504-V537 HydrophobicContact CG1-CG1 4.45Å; V504-V537 HydrophobicContact CG2-CB 4.21Å; L505-V537 PolarHBondContact N-O 3.24Å; V537-A539 HydrophobicContact CG1-CB 4.47Å
538	I	98.5	Very high	94.7	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.056	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.2	170.9	-51.7	-55	0	0	0	107.7	V485 T486 L505 Y523 L526 A527 L530 V536 L587	V485-I538 HydrophobicContact CG1-CG2 4.47Å; V485-I538 HydrophobicContact CG2-CG2 4.44Å; T486-I538 PolarHBondContact N-O 2.99Å; L505-I538 HydrophobicContact CB-CD1 3.8Å; L505-I538 HydrophobicContact CD2-CD1 4.11Å; Y523-I538 HydrophobicContact CD1-CG2 3.83Å; Y523-I538 HydrophobicContact CE1-CG2 3.29Å; Y523-I538 HydrophobicContact CE2-CG2 4.39Å; L526-I538 HydrophobicContact CD2-CD1 4.47Å; A527-I538 HydrophobicContact CB-CB 3.79Å; A527-I538 HydrophobicContact CB-CG1 4.1Å; A527-I538 HydrophobicContact CB-CG2 3.87Å; L530-I538 HydrophobicContact CD1-CD1 3.98Å; L530-I538 HydrophobicContact CD1-CG1 4.37Å; V536-I538 HydrophobicContact CG1-CD1 3.9Å; I538-L587 HydrophobicContact CD1-CD1 4.23Å
539	A	98.5	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.1	-170.3	0	0	0	0	0	112.4	T486 V488 V504 L505 I506 E507 Y523 V537	T486-A539 CarbonylContact O-C 3.52Å; T486-A539 WeakPolarHBondContact O-CA 3.45Å; V488-A539 HydrophobicContact CG2-CB 3.9Å; V504-A539 HydrophobicContact CG1-CB 4.15Å; L505-A539 PolarHBondContact O-N 2.87Å; I506-A539 CarbonylContact C-O 3.47Å; I506-A539 VanDerWaalsContact CA-O 3.31Å; I506-A539 WeakPolarHBondContact CA-O 3.09Å; I506-A539 HydrophobicContact CB-CB 4.31Å; I506-A539 HydrophobicContact CD1-CB 4.49Å; I506-A539 HydrophobicContact CG1-CB 4.23Å; E507-A539 PolarHBondContact N-O 3.36Å; Y523-A539 WeakPolarHBondContact CE1-O 3.32Å; Y523-A539 PolarHBondContact OH-O 3.35Å; V537-A539 HydrophobicContact CG1-CB 4.47Å
540	K	98.4	Very high	93.7	Very high	27 Å²	27	48.1 Å²	48.1	12%	0.117	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.9	173	70.6	-178.2	-176.7	-178.1	0	111.6	V485 T486 V488 E507 Y509 E520	V485-K540 HydrophobicContact CG1-CB 3.85Å; V485-K540 HydrophobicContact CG1-CD 3.99Å; V485-K540 HydrophobicContact CG1-CG 3.7Å; T486-K540 PolarHBondContact O-N 2.94Å; V488-K540 PolarHBondContact N-O 2.97Å; E507-K540 HydrophobicContact CB-CB 4.37Å; E507-K540 CarbonylContact O-C 3.51Å; E507-K540 WeakPolarHBondContact O-CA 3.09Å; Y509-K540 HydrophobicContact CD1-CB 4.15Å; Y509-K540 HydrophobicContact CE1-CB 4Å; Y509-K540 HydrophobicContact CE1-CD 4.14Å; Y509-K540 HydrophobicContact CE1-CG 4Å; E520-K540 IonicContact OE1-NZ 2.78Å; E520-K540 PolarHBondContact OE1-NZ 3.24Å
541	M	98.1	Very high	93.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	131.1	175.1	-180	166.1	83.6	0	0	111.2	V488 F493 I506 E507 L508 Y509 A543 N546	V488-M541 HydrophobicContact CB-CB 4.18Å; V488-M541 HydrophobicContact CG1-CB 4.49Å; V488-M541 HydrophobicContact CG1-SD 4.06Å; V488-M541 WeakPolarHBondContact O-CA 3.37Å; V488-M541 VanDerWaalsContact O-CB 3.29Å; V488-M541 WeakPolarHBondContact O-CB 3.28Å; V488-M541 WeakPolarHBondContact O-CG 3.18Å; F493-M541 HydrophobicContact CD2-CE 3.53Å; F493-M541 HydrophobicContact CD2-SD 3.64Å; F493-M541 HydrophobicContact CE2-CE 3.73Å; F493-M541 HydrophobicContact CE2-SD 4.34Å; I506-M541 HydrophobicContact CD1-CB 4.35Å; E507-M541 PolarHBondContact O-N 3.33Å; L508-M541 HydrophobicContact CD2-CB 4.02Å; L508-M541 HydrophobicContact CD2-CE 3.67Å; Y509-M541 WeakPolarHBondContact CD1-O 3.19Å; Y509-M541 PolarHBondContact N-O 3.1Å; M541-A543 PolarHBondContact O-N 3.43Å; M541-A543 VanDerWaalsContact O-N 3.1Å; M541-N546 HydrophobicContact CE-CB 4.24Å; M541-N546 HydrophobicContact CG-CB 3.78Å; M541-N546 HydrophobicContact SD-CB 3.57Å; M541-N546 VanDerWaalsContact SD-CB 3.57Å
542	N	97.5	Very high	93.8	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	101.1	167	172	9.1	0	0	0	108.6	Y509 P511 V544 D545 N546	Y509-N542 HydrophobicContact CE1-CB 4.28Å; Y509-N542 VanDerWaalsContact CE1-N 3.29Å; Y509-N542 HydrophobicContact CE2-CB 4.11Å; Y509-N542 CarbonylContact O-C 3.6Å; Y509-N542 WeakPolarHBondContact O-CA 3.27Å; P511-N542 VanDerWaalsContact CD-OD1 3.27Å; P511-N542 WeakPolarHBondContact CD-OD1 3.28Å; N542-V544 PolarHBondContact O-N 3Å; N542-V544 VanDerWaalsContact OD1-CB 3.3Å; N542-V544 WeakPolarHBondContact OD1-CB 3.36Å; N542-V544 PolarHBondContact OD1-N 3.48Å; N542-D545 PolarHBondContact ND2-OD2 3.09Å; N542-D545 PolarHBondContact O-N 3.36Å; N542-D545 PolarHBondContact OD1-N 2.98Å; N542-N546 VanDerWaalsContact O-CB 3.32Å; N542-N546 WeakPolarHBondContact O-CB 3.34Å; N542-N546 PolarHBondContact O-N 3.39Å; N542-N546 VanDerWaalsContact O-N 3.16Å; N542-N546 PolarHBondContact O-ND2 3.08Å
543	A	96.1	Very high	93.9	Very high	22 Å²	22	40 Å²	40	18%	0.182	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.2	-177.5	0	0	0	0	0	113.3	L508 Y509 M541 V554 F557	L508-A543 HydrophobicContact CB-CB 4.16Å; Y509-A543 PolarHBondContact O-N 3.02Å; M541-A543 PolarHBondContact O-N 3.43Å; M541-A543 VanDerWaalsContact O-N 3.1Å; A543-V554 HydrophobicContact CB-CG1 4.41Å; A543-V554 HydrophobicContact CB-CG2 3.96Å; A543-F557 HydrophobicContact CB-CE1 3.84Å; A543-F557 HydrophobicContact CB-CZ 4.44Å
544	V	92	Very high	93.8	Very high	50 Å²	50	40.8 Å²	40.8	30%	0.303	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-40.2	168.9	180	0	0	0	0	110	K473 A510 N542 F557	K473-V544 PolarHBondContact NZ-O 2.99Å; A510-V544 HydrophobicContact CB-CG2 3.5Å; N542-V544 PolarHBondContact O-N 3Å; N542-V544 VanDerWaalsContact OD1-CB 3.3Å; N542-V544 WeakPolarHBondContact OD1-CB 3.36Å; N542-V544 PolarHBondContact OD1-N 3.48Å; V544-F557 HydrophobicContact CG2-CZ 4.28Å
545	D	92.2	Very high	93.6	Very high	58 Å²	58	39 Å²	39	31%	0.31	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	3.7	-174.4	-60.7	-50.1	0	0	0	114.3	K473 E475 N542	K473-D545 IonicContact NZ-OD1 2.66Å; K473-D545 PolarHBondContact NZ-OD1 2.86Å; E475-D545 HydrophobicContact CG-CB 3.76Å; N542-D545 PolarHBondContact ND2-OD2 3.09Å; N542-D545 PolarHBondContact O-N 3.36Å; N542-D545 PolarHBondContact OD1-N 2.98Å
546	N	94.3	Very high	93.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	25%	0.252	C	S	.	.	S	Bend	trans	-138.5	129.5	177.9	-57.6	-84.9	0	0	0	111	K473 S474 E475 V489 G490 M541 N542	K473-N546 CarbonylContact O-C 3.44Å; K473-N546 VanDerWaalsContact O-CA 3.27Å; K473-N546 WeakPolarHBondContact O-CA 3.21Å; S474-N546 WeakPolarHBondContact CA-OD1 3.39Å; E475-N546 PolarHBondContact N-OD1 3.3Å; E475-N546 PolarHBondContact OE2-ND2 2.87Å; V489-N546 VanDerWaalsContact CA-OD1 3.26Å; V489-N546 WeakPolarHBondContact CA-OD1 3.31Å; V489-N546 WeakPolarHBondContact CB-OD1 3.45Å; G490-N546 PolarHBondContact N-OD1 3.16Å; M541-N546 HydrophobicContact CE-CB 4.24Å; M541-N546 HydrophobicContact CG-CB 3.78Å; M541-N546 HydrophobicContact SD-CB 3.57Å; M541-N546 VanDerWaalsContact SD-CB 3.57Å; N542-N546 VanDerWaalsContact O-CB 3.32Å; N542-N546 WeakPolarHBondContact O-CB 3.34Å; N542-N546 PolarHBondContact O-N 3.39Å; N542-N546 VanDerWaalsContact O-N 3.16Å; N542-N546 PolarHBondContact O-ND2 3.08Å
547	D	89.3	Confident	93.6	Very high	58 Å²	58	41.1 Å²	41.1	31%	0.31	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-73.4	131.2	171.8	-69.3	-22.9	0	0	0	109.7	T472 K473	T472-D547 HydrophobicContact CG2-CB 3.77Å; K473-D547 HydrophobicContact CB-CB 4.37Å; K473-D547 VanDerWaalsContact CB-CG 3.48Å; K473-D547 WeakPolarHBondContact CB-OD2 3.26Å; K473-D547 PolarHBondContact N-OD2 3.16Å; K473-D547 PolarHBondContact O-N 3.37Å
548	S	86.9	Confident	93.6	Very high	36 Å²	36	40.2 Å²	40.2	25%	0.252	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-85.8	160.3	167.7	60.3	0	0	0	0	111.3	Y552	S548-Y552 PolarHBondContact OG-O 3.18Å
549	D	87.1	Confident	93.6	Very high	49 Å²	49	40.1 Å²	40.1	26%	0.262	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66.5	149.9	172	-172.5	-76.6	0	0	0	110.7	F493 Y498 N551 Y552	F493-D549 HydrophobicContact CD1-CB 4.06Å; F493-D549 HydrophobicContact CE1-CB 3.69Å; Y498-D549 HydrophobicContact CE2-CB 4.33Å; Y498-D549 VanDerWaalsContact OH-CG 3.3Å; Y498-D549 PolarHBondContact OH-OD1 3.11Å; Y498-D549 VanDerWaalsContact OH-OD1 3.08Å; D549-N551 PolarHBondContact O-N 2.84Å; D549-N551 PolarHBondContact OD1-N 3.41Å; D549-N551 PolarHBondContact OD1-ND2 3.1Å; D549-Y552 HydrophobicContact CB-CD2 4.13Å; D549-Y552 CarbonylContact O-C 3.58Å; D549-Y552 WeakPolarHBondContact O-CA 3.13Å; D549-Y552 PolarHBondContact O-N 3.38Å
550	L	86	Confident	93.6	Very high	156 Å²	156	40.4 Å²	40.4	82%	0.817	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.5	-179.4	-67.5	173.3	0	0	0	114	Y552	L550-Y552 PolarHBondContact O-N 3.37Å
551	N	93.3	Very high	93.6	Very high	64 Å²	64	39.7 Å²	39.7	34%	0.342	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.5	175.8	-59.6	-69.9	0	0	0	113.5	Y498 D549 P553 K569 P571	Y498-N551 PolarHBondContact OH-ND2 2.85Å; D549-N551 PolarHBondContact O-N 2.84Å; D549-N551 PolarHBondContact OD1-N 3.41Å; D549-N551 PolarHBondContact OD1-ND2 3.1Å; N551-P553 VanDerWaalsContact C-CD 3.41Å; N551-P553 WeakPolarHBondContact O-CD 3.27Å; N551-K569 PolarHBondContact OD1-O 3.28Å; N551-P571 WeakPolarHBondContact O-CG 3.49Å
552	Y	95.4	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-126.6	62.8	-176.6	-60.6	-103.3	0	0	0	110.6	F493 V497 Y498 I506 S548 D549 L550 Y561 A563 K568 P571	F493-Y552 AromaticContact CE1-CD2 3.81Å; F493-Y552 HydrophobicContact CE1-CD2 3.81Å; F493-Y552 HydrophobicContact CE1-CE2 4.08Å; F493-Y552 HydrophobicContact CE1-CG 4.22Å; F493-Y552 HydrophobicContact CZ-CD1 4.04Å; F493-Y552 AromaticContact CZ-CD2 3.77Å; F493-Y552 HydrophobicContact CZ-CD2 3.77Å; F493-Y552 HydrophobicContact CZ-CE1 4.47Å; F493-Y552 HydrophobicContact CZ-CE2 4.26Å; F493-Y552 AromaticContact CZ-CG 3.68Å; F493-Y552 HydrophobicContact CZ-CG 3.68Å; V497-Y552 HydrophobicContact CG1-CE1 3.8Å; V497-Y552 HydrophobicContact CG1-CE2 4.28Å; V497-Y552 WeakPolarHBondContact CG1-OH 3.41Å; Y498-Y552 AromaticContact CE2-CE2 3.89Å; Y498-Y552 HydrophobicContact CE2-CE2 3.89Å; I506-Y552 HydrophobicContact CG2-CD1 4.32Å; I506-Y552 HydrophobicContact CG2-CE1 4.33Å; S548-Y552 PolarHBondContact OG-O 3.18Å; D549-Y552 HydrophobicContact CB-CD2 4.13Å; D549-Y552 CarbonylContact O-C 3.58Å; D549-Y552 WeakPolarHBondContact O-CA 3.13Å; D549-Y552 PolarHBondContact O-N 3.38Å; L550-Y552 PolarHBondContact O-N 3.37Å; Y552-Y561 AromaticContact CD1-CD2 3.76Å; Y552-Y561 HydrophobicContact CD1-CD2 3.76Å; Y552-Y561 AromaticContact CD1-CG 3.74Å; Y552-Y561 HydrophobicContact CD1-CG 3.74Å; Y552-Y561 HydrophobicContact CE1-CG 4.35Å; Y552-Y561 HydrophobicContact CG-CD2 4.38Å; Y552-A563 HydrophobicContact CE1-CB 4.16Å; Y552-A563 WeakPolarHBondContact OH-CB 3.38Å; Y552-K568 PolarHBondContact OH-O 3.07Å; Y552-P571 HydrophobicContact CD1-CB 4.04Å; Y552-P571 HydrophobicContact CD1-CG 3.89Å; Y552-P571 HydrophobicContact CD2-CG 4.34Å; Y552-P571 HydrophobicContact CE1-CB 3.43Å; Y552-P571 VanDerWaalsContact CE1-CB 3.43Å; Y552-P571 HydrophobicContact CE1-CG 3.65Å; Y552-P571 HydrophobicContact CE2-CG 4.09Å; Y552-P571 HydrophobicContact CG-CG 4.21Å
553	P	92.3	Very high	93.6	Very high	75 Å²	75	39.4 Å²	39.4	49%	0.487	25%	0.248	S	C	.	.			trans	-65.5	138.7	-178	28	-34.7	0	0	0	111.5	N551 Y561	N551-P553 VanDerWaalsContact C-CD 3.41Å; N551-P553 WeakPolarHBondContact O-CD 3.27Å; P553-Y561 WeakPolarHBondContact CD-OH 3.37Å; P553-Y561 WeakPolarHBondContact CG-OH 3.43Å; P553-Y561 WeakPolarHBondContact O-CE2 3.29Å; P553-Y561 PolarHBondContact O-OH 2.94Å; P553-Y561 VanDerWaalsContact O-OH 3.07Å
554	V	92.5	Very high	93.7	Very high	49 Å²	49	39.1 Å²	39.1	30%	0.297	24%	0.244	S	C	.	.			trans	-102.2	94.7	177.9	-176	0	0	0	0	109.1	L508 A543 F557	L508-V554 HydrophobicContact CB-CG2 3.97Å; L508-V554 HydrophobicContact CD1-CG2 3.49Å; L508-V554 VanDerWaalsContact CD1-CG2 3.49Å; L508-V554 HydrophobicContact CG-CG2 4.3Å; A543-V554 HydrophobicContact CB-CG1 4.41Å; A543-V554 HydrophobicContact CB-CG2 3.96Å; V554-F557 HydrophobicContact CG1-CD1 4.02Å; V554-F557 HydrophobicContact CG1-CE1 3.46Å; V554-F557 VanDerWaalsContact CG1-CE1 3.46Å; V554-F557 HydrophobicContact CG1-CZ 3.74Å
555	G	88.3	Confident	93.9	Very high	86 Å²	86	41.1 Å²	41.1	89%	0.887	25%	0.248	S	C	*	.	S	Bend	trans	-83.8	-11.1	175.8	0	0	0	0	0	114.2
556	G	93.4	Very high	93.9	Very high	30 Å²	30	41.2 Å²	41.2	31%	0.309	26%	0.263	S	S	.	.	S	Bend	trans	175.9	178.6	-177.8	0	0	0	0	0	111.8	T559	G556-T559 PolarHBondContact O-N 3.01Å; G556-T559 PolarHBondContact O-OG1 2.89Å
557	F	97.4	Very high	93.9	Very high	53 Å²	53	46.3 Å²	46.3	23%	0.232	29%	0.287	C	S	.	.	S	Bend	trans	-124.8	137.4	-173	-62.5	-70.5	0	0	0	112.9	A510 W512 C513 A543 V544 V554	A510-F557 HydrophobicContact CB-CB 4.3Å; A510-F557 HydrophobicContact CB-CD1 3.82Å; A510-F557 HydrophobicContact CB-CD2 3.64Å; A510-F557 HydrophobicContact CB-CE1 3.94Å; A510-F557 HydrophobicContact CB-CE2 3.8Å; A510-F557 HydrophobicContact CB-CG 3.65Å; A510-F557 HydrophobicContact CB-CZ 3.94Å; W512-F557 HydrophobicContact CH2-CD2 4.2Å; W512-F557 HydrophobicContact CH2-CE2 4.47Å; W512-F557 HydrophobicContact CZ2-CD2 4.42Å; W512-F557 HydrophobicContact CZ2-CE2 4.32Å; C513-F557 HydrophobicContact CB-CB 4.01Å; A543-F557 HydrophobicContact CB-CE1 3.84Å; A543-F557 HydrophobicContact CB-CZ 4.44Å; V544-F557 HydrophobicContact CG2-CZ 4.28Å; V554-F557 HydrophobicContact CG1-CD1 4.02Å; V554-F557 HydrophobicContact CG1-CE1 3.46Å; V554-F557 VanDerWaalsContact CG1-CE1 3.46Å; V554-F557 HydrophobicContact CG1-CZ 3.74Å
558	P	97.9	Very high	94.2	Very high	12 Å²	12	43.6 Å²	43.6	8%	0.078	27%	0.272	C	S	.	.	S	Bend	cis	-70.3	146.8	-16.4	28.5	-33.9	0	0	0	111.7	E507 L508 L519	E507-P558 HydrophobicContact CG-CB 4Å; E507-P558 WeakPolarHBondContact OE1-CB 3.28Å; L508-P558 WeakPolarHBondContact O-CA 3.47Å; L519-P558 HydrophobicContact CD2-CB 4.09Å; L519-P558 HydrophobicContact CD2-CG 3.78Å
559	T	98.3	Very high	94.5	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131	164.3	-68.5	0	0	0	0	108.6	L508 G556 Y561	L508-T559 WeakPolarHBondContact CB-O 3.42Å; L508-T559 PolarHBondContact N-O 2.9Å; L508-T559 PolarHBondContact O-N 3.36Å; G556-T559 PolarHBondContact O-N 3.01Å; G556-T559 PolarHBondContact O-OG1 2.89Å; T559-Y561 HydrophobicContact CG2-CD2 3.87Å; T559-Y561 HydrophobicContact CG2-CE2 3.33Å
560	I	98.6	Very high	94.9	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.3	-176.3	-57.3	169.3	0	0	0	109.4	L505 I506 E507 L519 Y574	L505-I560 HydrophobicContact CD1-CG2 3.8Å; L505-I560 HydrophobicContact CG-CG2 4.01Å; I506-I560 WeakPolarHBondContact O-CA 3.47Å; E507-I560 HydrophobicContact CB-CG1 4.37Å; E507-I560 HydrophobicContact CG-CG1 4.22Å; L519-I560 HydrophobicContact CD2-CD1 3.74Å; I560-Y574 HydrophobicContact CB-CD1 4.47Å; I560-Y574 HydrophobicContact CD1-CD1 4.13Å; I560-Y574 PolarHBondContact O-N 3.29Å
561	Y	98.6	Very high	95.5	Very high	13 Å²	13	48.1 Å²	48.1	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.9	178.2	-77.3	-71.6	0	0	0	111.6	L505 I506 L508 Y552 P553 T559 P571 I572 Q573	L505-Y561 CarbonylContact C-O 3.57Å; L505-Y561 WeakPolarHBondContact CA-O 3.38Å; I506-Y561 PolarHBondContact N-O 2.81Å; I506-Y561 PolarHBondContact O-N 3.09Å; L508-Y561 HydrophobicContact CD1-CD2 4Å; L508-Y561 HydrophobicContact CD1-CE2 4.21Å; Y552-Y561 AromaticContact CD1-CD2 3.76Å; Y552-Y561 HydrophobicContact CD1-CD2 3.76Å; Y552-Y561 AromaticContact CD1-CG 3.74Å; Y552-Y561 HydrophobicContact CD1-CG 3.74Å; Y552-Y561 HydrophobicContact CE1-CG 4.35Å; Y552-Y561 HydrophobicContact CG-CD2 4.38Å; P553-Y561 WeakPolarHBondContact CD-OH 3.37Å; P553-Y561 WeakPolarHBondContact CG-OH 3.43Å; P553-Y561 WeakPolarHBondContact O-CE2 3.29Å; P553-Y561 PolarHBondContact O-OH 2.94Å; P553-Y561 VanDerWaalsContact O-OH 3.07Å; T559-Y561 HydrophobicContact CG2-CD2 3.87Å; T559-Y561 HydrophobicContact CG2-CE2 3.33Å; Y561-P571 HydrophobicContact CD1-CB 3.83Å; Y561-P571 HydrophobicContact CD1-CG 3.94Å; Y561-P571 HydrophobicContact CE1-CG 4.36Å; Y561-P571 HydrophobicContact CG-CB 4.22Å; Y561-P571 HydrophobicContact CG-CG 4.45Å; Y561-I572 WeakPolarHBondContact CA-O 3.42Å; Y561-Q573 HydrophobicContact CD1-CB 3.96Å; Y561-Q573 HydrophobicContact CD1-CG 4.34Å; Y561-Q573 HydrophobicContact CE1-CB 3.57Å; Y561-Q573 HydrophobicContact CE1-CG 3.86Å
562	L	98.5	Very high	95.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.3	166.6	176.1	61.1	0	0	0	110.2	D503 V504 L505 L564 P571 I572 F586 L587 H590	D503-L562 HydrophobicContact CB-CD1 4.4Å; V504-L562 CarbonylContact O-C 3.58Å; V504-L562 WeakPolarHBondContact O-CA 3.26Å; L505-L562 HydrophobicContact CD1-CB 3.97Å; L505-L562 HydrophobicContact CD1-CD1 4.38Å; L562-L564 HydrophobicContact CD1-CD2 4.31Å; L562-L564 HydrophobicContact CD2-CD2 3.85Å; L562-L564 HydrophobicContact CD2-CG 4.4Å; L562-L564 HydrophobicContact CG-CD2 3.95Å; L562-L564 HydrophobicContact CG-CG 4.24Å; L562-P571 CarbonylContact O-C 3.48Å; L562-P571 WeakPolarHBondContact O-CA 3.48Å; L562-I572 HydrophobicContact CB-CB 4.44Å; L562-I572 PolarHBondContact N-O 3.44Å; L562-I572 PolarHBondContact O-N 2.93Å; L562-F586 HydrophobicContact CB-CE1 3.76Å; L562-F586 HydrophobicContact CB-CZ 4.19Å; L562-F586 HydrophobicContact CD2-CD1 4.37Å; L562-F586 HydrophobicContact CD2-CE1 3.72Å; L562-F586 HydrophobicContact CD2-CZ 4.19Å; L562-F586 HydrophobicContact CG-CE1 4.39Å; L562-L587 HydrophobicContact CD1-CD2 3.67Å; L562-L587 HydrophobicContact CD2-CD2 4.14Å; L562-H590 HydrophobicContact CD2-CB 3.62Å
563	A	98.1	Very high	95.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	92.9	175.6	0	0	0	0	0	110.4	V497 D503 V504 Y552 K568	V497-A563 HydrophobicContact CG1-CB 3.84Å; D503-A563 WeakPolarHBondContact CA-O 3.33Å; V504-A563 HydrophobicContact CB-CB 4.28Å; V504-A563 PolarHBondContact N-O 3.27Å; V504-A563 PolarHBondContact O-N 3.04Å; Y552-A563 HydrophobicContact CE1-CB 4.16Å; Y552-A563 WeakPolarHBondContact OH-CB 3.38Å; A563-K568 HydrophobicContact CB-CD 4.08Å; A563-K568 PolarHBondContact O-NZ 3.48Å
564	L	97.8	Very high	96.1	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.089	28%	0.275	C	S	.	.			trans	-67.2	145.9	179.5	-64.6	172.8	0	0	0	112	D503 L562 G566 Q567 K568 I572 H590	D503-L564 HydrophobicContact CB-CD2 4.42Å; D503-L564 VanDerWaalsContact OD1-CA 3.26Å; D503-L564 WeakPolarHBondContact OD1-CA 3.46Å; L562-L564 HydrophobicContact CD1-CD2 4.31Å; L562-L564 HydrophobicContact CD2-CD2 3.85Å; L562-L564 HydrophobicContact CD2-CG 4.4Å; L562-L564 HydrophobicContact CG-CD2 3.95Å; L562-L564 HydrophobicContact CG-CG 4.24Å; L564-G566 PolarHBondContact O-N 2.76Å; L564-Q567 HydrophobicContact CB-CB 4.23Å; L564-Q567 CarbonylContact O-C 3.5Å; L564-Q567 PolarHBondContact O-N 3.05Å; L564-K568 WeakPolarHBondContact O-CD 3.49Å; L564-K568 WeakPolarHBondContact O-CE 3.46Å; L564-I572 HydrophobicContact CD1-CD1 3.84Å; L564-H590 HydrophobicContact CD2-CB 4.42Å; L564-H590 VanDerWaalsContact CD2-O 3.25Å; L564-H590 WeakPolarHBondContact CD2-O 3.28Å
565	K	95.3	Very high	96.3	Very high	92 Å²	92	52.8 Å²	52.8	40%	0.4	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	132.2	170	70.4	-176.1	-176.5	-174.3	0	110	D503 Q567	D503-K565 PolarHBondContact OD1-N 3.05Å; K565-Q567 PolarHBondContact O-N 3.35Å
566	G	93.3	Very high	96.7	Very high	60 Å²	60	50.6 Å²	50.6	62%	0.619	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-5.5	-175.4	0	0	0	0	0	115.7	E500 L564	E500-G566 WeakPolarHBondContact OE2-CA 3.38Å; E500-G566 PolarHBondContact OE2-N 3.43Å; L564-G566 PolarHBondContact O-N 2.76Å
567	Q	94.6	Very high	96.9	Very high	107 Å²	107	56 Å²	56	50%	0.5	29%	0.29	S	S	.	.			trans	-131.3	33.4	-176.1	-54.6	-173.5	39	0	0	113.1	L564 K565 K569 K570	L564-Q567 HydrophobicContact CB-CB 4.23Å; L564-Q567 CarbonylContact O-C 3.5Å; L564-Q567 PolarHBondContact O-N 3.05Å; K565-Q567 PolarHBondContact O-N 3.35Å; Q567-K569 PolarHBondContact O-N 3.44Å; Q567-K569 VanDerWaalsContact O-N 3.13Å; Q567-K570 CarbonylContact O-C 3.54Å; Q567-K570 PolarHBondContact O-N 3.41Å
568	K	94.9	Very high	96.8	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.009	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.1	-173.4	-55.5	-57.3	-172.7	165.3	0	116.1	V497 Y498 D499 E500 K502 Y552 A563 L564	V497-K568 VanDerWaalsContact O-CD 3.32Å; V497-K568 WeakPolarHBondContact O-CD 3.16Å; V497-K568 WeakPolarHBondContact O-CE 3.38Å; V497-K568 PolarHBondContact O-NZ 2.94Å; Y498-K568 HydrophobicContact CD1-CB 3.41Å; Y498-K568 VanDerWaalsContact CD1-CB 3.41Å; Y498-K568 HydrophobicContact CD1-CG 4.23Å; Y498-K568 HydrophobicContact CE1-CB 3.76Å; Y498-K568 HydrophobicContact CG-CB 3.92Å; Y498-K568 HydrophobicContact CG-CG 4.46Å; D499-K568 WeakPolarHBondContact O-CE 3.47Å; D499-K568 PolarHBondContact O-NZ 3.45Å; E500-K568 WeakPolarHBondContact OE1-CG 3.43Å; K502-K568 WeakPolarHBondContact O-CE 3.35Å; K502-K568 PolarHBondContact O-NZ 3.37Å; Y552-K568 PolarHBondContact OH-O 3.07Å; A563-K568 HydrophobicContact CB-CD 4.08Å; A563-K568 PolarHBondContact O-NZ 3.48Å; L564-K568 WeakPolarHBondContact O-CD 3.49Å; L564-K568 WeakPolarHBondContact O-CE 3.46Å
569	K	93.7	Very high	96.8	Very high	147 Å²	147	60.4 Å²	60.4	64%	0.639	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.4	178.3	-62.8	-179	-177.7	-179.9	0	113.5	Y498 N551 Q567 P571	Y498-K569 HydrophobicContact CE1-CG 3.92Å; N551-K569 PolarHBondContact OD1-O 3.28Å; Q567-K569 PolarHBondContact O-N 3.44Å; Q567-K569 VanDerWaalsContact O-N 3.13Å; K569-P571 VanDerWaalsContact C-CD 3.47Å
570	K	95.5	Very high	96.8	Very high	167 Å²	167	61.3 Å²	61.3	73%	0.726	32%	0.316	S	S	*	.	S	Bend	trans	-129.8	61.4	178.3	-64.9	-175.5	180	-178.6	0	110	Q567	Q567-K570 CarbonylContact O-C 3.54Å; Q567-K570 PolarHBondContact O-N 3.41Å
571	P	97.4	Very high	96.8	Very high	22 Å²	22	68.4 Å²	68.4	14%	0.143	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65	148.1	-178.4	30.1	-35.6	0	0	0	111.3	N551 Y552 Y561 L562 K569	N551-P571 WeakPolarHBondContact O-CG 3.49Å; Y552-P571 HydrophobicContact CD1-CB 4.04Å; Y552-P571 HydrophobicContact CD1-CG 3.89Å; Y552-P571 HydrophobicContact CD2-CG 4.34Å; Y552-P571 HydrophobicContact CE1-CB 3.43Å; Y552-P571 VanDerWaalsContact CE1-CB 3.43Å; Y552-P571 HydrophobicContact CE1-CG 3.65Å; Y552-P571 HydrophobicContact CE2-CG 4.09Å; Y552-P571 HydrophobicContact CG-CG 4.21Å; Y561-P571 HydrophobicContact CD1-CB 3.83Å; Y561-P571 HydrophobicContact CD1-CG 3.94Å; Y561-P571 HydrophobicContact CE1-CG 4.36Å; Y561-P571 HydrophobicContact CG-CB 4.22Å; Y561-P571 HydrophobicContact CG-CG 4.45Å; L562-P571 CarbonylContact O-C 3.48Å; L562-P571 WeakPolarHBondContact O-CA 3.48Å; K569-P571 VanDerWaalsContact C-CD 3.47Å
572	I	98	Very high	96.8	Very high	48 Å²	48	68.9 Å²	68.9	25%	0.246	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.7	177.4	-52.7	176.1	0	0	0	107.8	Y561 L562 L564 Y574 F586 H590	Y561-I572 WeakPolarHBondContact CA-O 3.42Å; L562-I572 HydrophobicContact CB-CB 4.44Å; L562-I572 PolarHBondContact N-O 3.44Å; L562-I572 PolarHBondContact O-N 2.93Å; L564-I572 HydrophobicContact CD1-CD1 3.84Å; I572-Y574 PolarHBondContact O-N 3.43Å; I572-F586 HydrophobicContact CB-CZ 4.23Å; I572-F586 HydrophobicContact CG2-CE2 4.01Å; I572-F586 HydrophobicContact CG2-CZ 3.75Å; I572-H590 HydrophobicContact CD1-CB 4.24Å; I572-H590 WeakPolarHBondContact CD1-ND1 3.49Å
573	Q	98	Very high	96.8	Very high	86 Å²	86	69 Å²	69	40%	0.402	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.1	174.7	-166.6	171.7	-6.3	0	0	110.4	Y561	Y561-Q573 HydrophobicContact CD1-CB 3.96Å; Y561-Q573 HydrophobicContact CD1-CG 4.34Å; Y561-Q573 HydrophobicContact CE1-CB 3.57Å; Y561-Q573 HydrophobicContact CE1-CG 3.86Å
574	Y	98.1	Very high	96.8	Very high	18 Å²	18	69.9 Å²	69.9	7%	0.071	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	118.9	174.4	179.8	-98.2	0	0	0	110.7	I560 I572 G576 E577 A582 M583 F586	I560-Y574 HydrophobicContact CB-CD1 4.47Å; I560-Y574 HydrophobicContact CD1-CD1 4.13Å; I560-Y574 PolarHBondContact O-N 3.29Å; I572-Y574 PolarHBondContact O-N 3.43Å; Y574-G576 WeakPolarHBondContact CE1-O 3.28Å; Y574-G576 VanDerWaalsContact CZ-CA 3.47Å; Y574-E577 PolarHBondContact OH-N 2.89Å; Y574-E577 PolarHBondContact OH-O 3.03Å; Y574-A582 WeakPolarHBondContact OH-CB 3.28Å; Y574-M583 HydrophobicContact CE1-CG 3.84Å; Y574-M583 HydrophobicContact CE2-CG 4.28Å; Y574-F586 HydrophobicContact CD2-CB 3.95Å; Y574-F586 AromaticContact CD2-CD1 3.5Å; Y574-F586 HydrophobicContact CD2-CD1 3.5Å; Y574-F586 VanDerWaalsContact CD2-CD1 3.5Å; Y574-F586 AromaticContact CD2-CD2 3.74Å; Y574-F586 HydrophobicContact CD2-CD2 3.74Å; Y574-F586 AromaticContact CD2-CE1 3.8Å; Y574-F586 HydrophobicContact CD2-CE1 3.8Å; Y574-F586 HydrophobicContact CD2-CE2 4.05Å; Y574-F586 AromaticContact CD2-CG 3.45Å; Y574-F586 HydrophobicContact CD2-CG 3.45Å; Y574-F586 VanDerWaalsContact CD2-CG 3.45Å; Y574-F586 HydrophobicContact CD2-CZ 4.07Å; Y574-F586 HydrophobicContact CE2-CB 3.63Å; Y574-F586 HydrophobicContact CE2-CD1 4.05Å; Y574-F586 HydrophobicContact CE2-CD2 4.12Å; Y574-F586 AromaticContact CE2-CG 3.68Å; Y574-F586 HydrophobicContact CE2-CG 3.68Å; Y574-F586 HydrophobicContact CG-CD1 4.44Å; Y574-F586 HydrophobicContact CG-CE1 4.45Å
575	N	96.6	Very high	96.8	Very high	133 Å²	133	72.9 Å²	72.9	71%	0.711	38%	0.375	S	S	*	.			trans	-118.5	14.6	178.6	-64.2	-47.8	0	0	0	112.7
576	G	96.2	Very high	96.9	Very high	41 Å²	41	69.8 Å²	69.8	42%	0.423	36%	0.362	S	S	.	.	S	Bend	trans	-83.6	-176.6	-177.7	0	0	0	0	0	114	Y574	Y574-G576 WeakPolarHBondContact CE1-O 3.28Å; Y574-G576 VanDerWaalsContact CZ-CA 3.47Å
577	E	97.4	Very high	97.1	Very high	143 Å²	143	66.9 Å²	66.9	67%	0.668	33%	0.332	S	S	*	.			trans	-63.7	137.7	176.8	-65.7	-177	175.9	0	0	112.5	Y574 T579 A582	Y574-E577 PolarHBondContact OH-N 2.89Å; Y574-E577 PolarHBondContact OH-O 3.03Å; E577-T579 PolarHBondContact O-N 3.35Å; E577-A582 HydrophobicContact CB-CB 3.97Å; E577-A582 WeakPolarHBondContact O-CB 3.45Å
578	R	97	Very high	97.2	Very high	98 Å²	98	67.6 Å²	67.6	37%	0.37	33%	0.334	S	S	.	.	S	Bend	trans	-79.2	58.4	-178.6	-69.7	178.2	-172	151.9	0.6	112.5	L519 I522	L519-R578 HydrophobicContact CD1-CB 4.02Å; L519-R578 HydrophobicContact CD1-CG 4.3Å; I522-R578 VanDerWaalsContact CD1-O 3.28Å; I522-R578 WeakPolarHBondContact CD1-O 3.14Å
579	T	98.1	Very high	97.3	Very high	59 Å²	59	75.4 Å²	75.4	36%	0.362	37%	0.368	S	S	.	.	S	Bend	trans	-124.2	152.5	176.8	70	0	0	0	0	110.8	E577 K581 A582 M583	E577-T579 PolarHBondContact O-N 3.35Å; T579-K581 PolarHBondContact O-N 2.99Å; T579-A582 PolarHBondContact O-N 2.71Å; T579-A582 WeakPolarHBondContact OG1-CB 3.42Å; T579-A582 PolarHBondContact OG1-N 3.26Å; T579-M583 WeakPolarHBondContact O-CE 3.22Å; T579-M583 PolarHBondContact O-N 3.16Å; T579-M583 VanDerWaalsContact O-N 3.09Å
580	V	98.2	Very high	97.4	Very high	29 Å²	29	71.1 Å²	71.1	18%	0.176	35%	0.35	C	S	.	.	H	α-helix	trans	-55	-43.4	177.6	177.7	0	0	0	0	111.1	I522 E525 L526 T584	I522-V580 HydrophobicContact CG2-CG2 3.83Å; E525-V580 HydrophobicContact CB-CG2 3.92Å; E525-V580 HydrophobicContact CG-CG2 3.93Å; L526-V580 HydrophobicContact CB-CG1 4.47Å; L526-V580 HydrophobicContact CD1-CG1 4.2Å; V580-T584 VanDerWaalsContact O-CB 3.3Å; V580-T584 WeakPolarHBondContact O-CB 3.24Å; V580-T584 PolarHBondContact O-N 3.16Å; V580-T584 PolarHBondContact O-OG1 2.95Å
581	K	98	Very high	97.3	Very high	155 Å²	155	63.3 Å²	63.3	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-61.2	-53.3	179.7	-177	-178.6	176	-173.4	0	111.7	T579 M583 T584 D585	T579-K581 PolarHBondContact O-N 2.99Å; K581-M583 VanDerWaalsContact C-N 3.33Å; K581-M583 PolarHBondContact O-N 2.83Å; K581-T584 WeakPolarHBondContact O-CB 3.31Å; K581-T584 PolarHBondContact O-N 2.93Å; K581-T584 VanDerWaalsContact O-N 3.16Å; K581-D585 VanDerWaalsContact O-CG 3.31Å; K581-D585 PolarHBondContact O-N 2.74Å
582	A	98.3	Very high	97	Very high	23 Å²	23	67.4 Å²	67.4	19%	0.19	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-36.5	-176.5	0	0	0	0	0	112.7	Y574 E577 T579 F586	Y574-A582 WeakPolarHBondContact OH-CB 3.28Å; E577-A582 HydrophobicContact CB-CB 3.97Å; E577-A582 WeakPolarHBondContact O-CB 3.45Å; T579-A582 PolarHBondContact O-N 2.71Å; T579-A582 WeakPolarHBondContact OG1-CB 3.42Å; T579-A582 PolarHBondContact OG1-N 3.26Å; A582-F586 WeakPolarHBondContact O-CB 3.47Å; A582-F586 PolarHBondContact O-N 2.95Å; A582-F586 VanDerWaalsContact O-N 3.08Å
583	M	98.4	Very high	96.6	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-70.9	-37.2	174.3	-70.3	-174.3	-75.7	0	0	112.2	L519 I522 Y523 L526 Y574 T579 K581 F586 L587	L519-M583 HydrophobicContact CD1-CE 4.11Å; I522-M583 HydrophobicContact CG2-CE 3.83Å; Y523-M583 HydrophobicContact CD2-CE 4.31Å; Y523-M583 HydrophobicContact CD2-SD 4.01Å; Y523-M583 HydrophobicContact CE2-SD 4.12Å; L526-M583 HydrophobicContact CD1-CB 4.12Å; L526-M583 HydrophobicContact CD2-CB 3.76Å; L526-M583 HydrophobicContact CD2-CE 3.95Å; L526-M583 HydrophobicContact CD2-CG 4.4Å; L526-M583 HydrophobicContact CD2-SD 3.8Å; Y574-M583 HydrophobicContact CE1-CG 3.84Å; Y574-M583 HydrophobicContact CE2-CG 4.28Å; T579-M583 WeakPolarHBondContact O-CE 3.22Å; T579-M583 PolarHBondContact O-N 3.16Å; T579-M583 VanDerWaalsContact O-N 3.09Å; K581-M583 VanDerWaalsContact C-N 3.33Å; K581-M583 PolarHBondContact O-N 2.83Å; M583-F586 PolarHBondContact O-N 3.5Å; M583-L587 WeakPolarHBondContact O-CG 3.29Å; M583-L587 PolarHBondContact O-N 3.03Å
584	T	97.7	Very high	96.2	Very high	20 Å²	20	64.6 Å²	64.6	12%	0.123	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-45.1	174.7	-59.4	0	0	0	0	111.3	L526 L530 V580 K581 F586 L587 K588	L526-T584 WeakPolarHBondContact CD1-OG1 3.45Å; L530-T584 HydrophobicContact CD2-CG2 4.47Å; V580-T584 VanDerWaalsContact O-CB 3.3Å; V580-T584 WeakPolarHBondContact O-CB 3.24Å; V580-T584 PolarHBondContact O-N 3.16Å; V580-T584 PolarHBondContact O-OG1 2.95Å; K581-T584 WeakPolarHBondContact O-CB 3.31Å; K581-T584 PolarHBondContact O-N 2.93Å; K581-T584 VanDerWaalsContact O-N 3.16Å; T584-F586 VanDerWaalsContact C-N 3.3Å; T584-F586 PolarHBondContact O-N 3.08Å; T584-L587 PolarHBondContact O-N 3.03Å; T584-K588 HydrophobicContact CG2-CD 4.27Å; T584-K588 WeakPolarHBondContact O-CG 3.26Å; T584-K588 PolarHBondContact O-N 2.8Å
585	D	97.4	Very high	95.3	Very high	79 Å²	79	67.4 Å²	67.4	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-38.1	178.4	-68.3	-19.6	0	0	0	111.2	K581 K588 K589	K581-D585 VanDerWaalsContact O-CG 3.31Å; K581-D585 PolarHBondContact O-N 2.74Å; D585-K588 PolarHBondContact O-N 3.27Å; D585-K589 WeakPolarHBondContact O-CB 3.09Å; D585-K589 PolarHBondContact O-N 3.19Å
586	F	98.1	Very high	93.5	Very high	27 Å²	27	70 Å²	70	12%	0.118	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-45.4	172.4	173.4	-101.2	0	0	0	112.5	L505 L562 I572 Y574 A582 M583 T584 K589 H590	L505-F586 HydrophobicContact CD1-CE1 4.27Å; L562-F586 HydrophobicContact CB-CE1 3.76Å; L562-F586 HydrophobicContact CB-CZ 4.19Å; L562-F586 HydrophobicContact CD2-CD1 4.37Å; L562-F586 HydrophobicContact CD2-CE1 3.72Å; L562-F586 HydrophobicContact CD2-CZ 4.19Å; L562-F586 HydrophobicContact CG-CE1 4.39Å; I572-F586 HydrophobicContact CB-CZ 4.23Å; I572-F586 HydrophobicContact CG2-CE2 4.01Å; I572-F586 HydrophobicContact CG2-CZ 3.75Å; Y574-F586 HydrophobicContact CD2-CB 3.95Å; Y574-F586 AromaticContact CD2-CD1 3.5Å; Y574-F586 HydrophobicContact CD2-CD1 3.5Å; Y574-F586 VanDerWaalsContact CD2-CD1 3.5Å; Y574-F586 AromaticContact CD2-CD2 3.74Å; Y574-F586 HydrophobicContact CD2-CD2 3.74Å; Y574-F586 AromaticContact CD2-CE1 3.8Å; Y574-F586 HydrophobicContact CD2-CE1 3.8Å; Y574-F586 HydrophobicContact CD2-CE2 4.05Å; Y574-F586 AromaticContact CD2-CG 3.45Å; Y574-F586 HydrophobicContact CD2-CG 3.45Å; Y574-F586 VanDerWaalsContact CD2-CG 3.45Å; Y574-F586 HydrophobicContact CD2-CZ 4.07Å; Y574-F586 HydrophobicContact CE2-CB 3.63Å; Y574-F586 HydrophobicContact CE2-CD1 4.05Å; Y574-F586 HydrophobicContact CE2-CD2 4.12Å; Y574-F586 AromaticContact CE2-CG 3.68Å; Y574-F586 HydrophobicContact CE2-CG 3.68Å; Y574-F586 HydrophobicContact CG-CD1 4.44Å; Y574-F586 HydrophobicContact CG-CE1 4.45Å; A582-F586 WeakPolarHBondContact O-CB 3.47Å; A582-F586 PolarHBondContact O-N 2.95Å; A582-F586 VanDerWaalsContact O-N 3.08Å; M583-F586 PolarHBondContact O-N 3.5Å; T584-F586 VanDerWaalsContact C-N 3.3Å; T584-F586 PolarHBondContact O-N 3.08Å; F586-K589 WeakPolarHBondContact O-CB 3.35Å; F586-K589 PolarHBondContact O-N 3.4Å; F586-H590 AromaticContact CD2-CD2 3.52Å; F586-H590 AromaticContact CD2-NE2 3.82Å; F586-H590 AromaticContact CE2-CD2 3.37Å; F586-H590 WeakPolarHBondContact CE2-CD2 3.29Å; F586-H590 AromaticContact CE2-NE2 3.52Å; F586-H590 AromaticContact CZ-CD2 3.92Å; F586-H590 PolarHBondContact O-CD2 3.48Å; F586-H590 VanDerWaalsContact O-CD2 3.26Å; F586-H590 PolarHBondContact O-N 2.95Å
587	L	97.7	Very high	91.2	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.1	-47.3	175.8	-74.7	169.6	0	0	0	111.5	L505 L530 I538 L562 M583 T584 K589 H590 S591 F594	L505-L587 HydrophobicContact CB-CD2 4.3Å; L505-L587 HydrophobicContact CD1-CD2 4.32Å; L505-L587 HydrophobicContact CD2-CD1 4.28Å; L530-L587 HydrophobicContact CD1-CD1 3.38Å; I538-L587 HydrophobicContact CD1-CD1 4.23Å; L562-L587 HydrophobicContact CD1-CD2 3.67Å; L562-L587 HydrophobicContact CD2-CD2 4.14Å; M583-L587 WeakPolarHBondContact O-CG 3.29Å; M583-L587 PolarHBondContact O-N 3.03Å; T584-L587 PolarHBondContact O-N 3.03Å; L587-K589 PolarHBondContact O-N 3.04Å; L587-H590 PolarHBondContact O-N 3.12Å; L587-H590 VanDerWaalsContact O-N 3.09Å; L587-S591 VanDerWaalsContact O-CB 3.29Å; L587-S591 WeakPolarHBondContact O-CB 3.19Å; L587-S591 PolarHBondContact O-N 3.18Å; L587-F594 HydrophobicContact CB-CD2 4.45Å; L587-F594 HydrophobicContact CB-CE2 3.63Å; L587-F594 HydrophobicContact CB-CZ 3.77Å; L587-F594 HydrophobicContact CD1-CZ 4.31Å
588	K	96.1	Very high	88.5	Confident	122 Å²	122	75.9 Å²	75.9	53%	0.53	38%	0.383	S	S	.	.	H	α-helix	trans	-58	-34	176.5	-74	176.2	175.8	179.4	0	113.4	T584 D585 H590 F594	T584-K588 HydrophobicContact CG2-CD 4.27Å; T584-K588 WeakPolarHBondContact O-CG 3.26Å; T584-K588 PolarHBondContact O-N 2.8Å; D585-K588 PolarHBondContact O-N 3.27Å; K588-H590 VanDerWaalsContact C-N 3.34Å; K588-F594 HydrophobicContact CB-CB 4.36Å; K588-F594 HydrophobicContact CB-CG 4.42Å; K588-F594 HydrophobicContact CG-CB 3.92Å; K588-F594 HydrophobicContact CG-CD1 3.53Å; K588-F594 HydrophobicContact CG-CE1 4.14Å; K588-F594 HydrophobicContact CG-CG 3.75Å
589	K	96.3	Very high	86	Confident	166 Å²	166	80.3 Å²	80.3	72%	0.722	41%	0.408	S	S	*	.	H	α-helix	trans	-70.3	-29.5	178.4	-179.5	179.4	175.7	-176.4	0	113.1	D585 F586 L587	D585-K589 WeakPolarHBondContact O-CB 3.09Å; D585-K589 PolarHBondContact O-N 3.19Å; F586-K589 WeakPolarHBondContact O-CB 3.35Å; F586-K589 PolarHBondContact O-N 3.4Å; L587-K589 PolarHBondContact O-N 3.04Å
590	H	96.2	Very high	82.9	Confident	57 Å²	57	88.9 Å²	88.9	26%	0.264	45%	0.45	S	S	.	.	H	α-helix	trans	-115.7	-24	-168.4	-72.5	-70.1	0	0	0	114.6	L562 L564 I572 F586 L587 K588	L562-H590 HydrophobicContact CD2-CB 3.62Å; L564-H590 HydrophobicContact CD2-CB 4.42Å; L564-H590 VanDerWaalsContact CD2-O 3.25Å; L564-H590 WeakPolarHBondContact CD2-O 3.28Å; I572-H590 HydrophobicContact CD1-CB 4.24Å; I572-H590 WeakPolarHBondContact CD1-ND1 3.49Å; F586-H590 AromaticContact CD2-CD2 3.52Å; F586-H590 AromaticContact CD2-NE2 3.82Å; F586-H590 AromaticContact CE2-CD2 3.37Å; F586-H590 WeakPolarHBondContact CE2-CD2 3.29Å; F586-H590 AromaticContact CE2-NE2 3.52Å; F586-H590 AromaticContact CZ-CD2 3.92Å; F586-H590 PolarHBondContact O-CD2 3.48Å; F586-H590 VanDerWaalsContact O-CD2 3.26Å; F586-H590 PolarHBondContact O-N 2.95Å; L587-H590 PolarHBondContact O-N 3.12Å; L587-H590 VanDerWaalsContact O-N 3.09Å; K588-H590 VanDerWaalsContact C-N 3.34Å
591	S	94.2	Very high	82.2	Confident	3 Å²	3	91.9 Å²	91.9	2%	0.021	46%	0.464	C	S	.	.			trans	-107.3	123.9	-174.1	166.6	0	0	0	0	111.5	D503 L587 A593 F594	D503-S591 VanDerWaalsContact OD2-CB 3.27Å; D503-S591 WeakPolarHBondContact OD2-CB 3.34Å; D503-S591 PolarHBondContact OD2-OG 3.23Å; L587-S591 VanDerWaalsContact O-CB 3.29Å; L587-S591 WeakPolarHBondContact O-CB 3.19Å; L587-S591 PolarHBondContact O-N 3.18Å; S591-A593 PolarHBondContact O-N 3.16Å; S591-A593 VanDerWaalsContact O-N 3.12Å; S591-A593 VanDerWaalsContact OG-CB 3.24Å; S591-A593 WeakPolarHBondContact OG-CB 3.31Å; S591-A593 PolarHBondContact OG-N 3.17Å; S591-A593 VanDerWaalsContact OG-N 3.12Å; S591-F594 PolarHBondContact O-N 3.11Å
592	D	91.5	Very high	81.3	Confident	108 Å²	108	88.6 Å²	88.6	58%	0.578	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-68.9	-2.2	172.1	-59.9	-33.9	0	0	0	112.9	F594 S595	D592-F594 PolarHBondContact O-N 3.06Å; D592-S595 PolarHBondContact O-OG 2.9Å
593	A	89.9	Confident	80.4	Confident	31 Å²	31	92.2 Å²	92.2	26%	0.256	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-68.3	-14.3	172.4	0	0	0	0	0	112.2	V533 V536 S591	V533-A593 HydrophobicContact CG1-CB 4.05Å; V536-A593 HydrophobicContact CG2-CB 3.57Å; S591-A593 PolarHBondContact O-N 3.16Å; S591-A593 VanDerWaalsContact O-N 3.12Å; S591-A593 VanDerWaalsContact OG-CB 3.24Å; S591-A593 WeakPolarHBondContact OG-CB 3.31Å; S591-A593 PolarHBondContact OG-N 3.17Å; S591-A593 VanDerWaalsContact OG-N 3.12Å
594	F	89	Confident	79.3	Confident	43 Å²	43	97.6 Å²	97.6	19%	0.189	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-104.8	-4.6	-178.9	-64.3	-93.3	0	0	0	114.1	L530 V533 V536 L587 K588 S591 D592 E596	L530-F594 HydrophobicContact CD1-CZ 4.36Å; L530-F594 HydrophobicContact CD2-CE1 3.68Å; L530-F594 HydrophobicContact CD2-CZ 3.86Å; V533-F594 HydrophobicContact CB-CE1 4.47Å; V533-F594 HydrophobicContact CG1-CD1 4.3Å; V533-F594 HydrophobicContact CG1-CE1 4Å; V533-F594 HydrophobicContact CG1-CE2 4.22Å; V533-F594 HydrophobicContact CG1-CZ 3.95Å; V533-F594 HydrophobicContact CG2-CD1 4.4Å; V533-F594 HydrophobicContact CG2-CE1 3.88Å; V533-F594 HydrophobicContact CG2-CZ 4.42Å; V536-F594 HydrophobicContact CG2-CE2 3.72Å; V536-F594 HydrophobicContact CG2-CZ 4.17Å; L587-F594 HydrophobicContact CB-CD2 4.45Å; L587-F594 HydrophobicContact CB-CE2 3.63Å; L587-F594 HydrophobicContact CB-CZ 3.77Å; L587-F594 HydrophobicContact CD1-CZ 4.31Å; K588-F594 HydrophobicContact CB-CB 4.36Å; K588-F594 HydrophobicContact CB-CG 4.42Å; K588-F594 HydrophobicContact CG-CB 3.92Å; K588-F594 HydrophobicContact CG-CD1 3.53Å; K588-F594 HydrophobicContact CG-CE1 4.14Å; K588-F594 HydrophobicContact CG-CG 3.75Å; S591-F594 PolarHBondContact O-N 3.11Å; D592-F594 PolarHBondContact O-N 3.06Å; F594-E596 PolarHBondContact O-N 2.84Å
595	S	79.4	Confident	78.2	Confident	77 Å²	77	102.4 Å²	102.4	54%	0.538	52%	0.518	S	S	.	.	S	Bend	trans	-69.6	122.2	173.4	46.1	0	0	0	0	108.7	D592 K597	D592-S595 PolarHBondContact O-OG 2.9Å; S595-K597 PolarHBondContact O-N 2.94Å; S595-K597 VanDerWaalsContact O-N 3.09Å
596	E	58.5	Low	76.9	Confident	189 Å²	189	104 Å²	104	88%	0.883	52%	0.524	S	S	*	.			trans	-53.4	121.7	171.1	-72.7	-177.9	171.1	0	0	107.3	F594 S598	F594-E596 PolarHBondContact O-N 2.84Å; E596-S598 VanDerWaalsContact C-N 3.28Å; E596-S598 PolarHBondContact O-N 2.96Å
597	K	48.6	Very low	75.4	Confident	199 Å²	199	109.5 Å²	109.5	87%	0.865	55%	0.553	S	S	*	*			trans	-56.9	103.4	164.2	-76.4	-177.6	177.5	179.4	0	105.4	S595 E599	S595-K597 PolarHBondContact O-N 2.94Å; S595-K597 VanDerWaalsContact O-N 3.09Å; K597-E599 VanDerWaalsContact C-N 3.28Å; K597-E599 PolarHBondContact O-N 3.18Å
598	S	40.5	Very low	73.7	Confident	108 Å²	108	117.9 Å²	117.9	76%	0.755	60%	0.596	S	S	*	*			trans	-60	106	157.7	49.1	0	0	0	0	104.9	E596 L600	E596-S598 VanDerWaalsContact C-N 3.28Å; E596-S598 PolarHBondContact O-N 2.96Å; S598-L600 PolarHBondContact O-N 2.78Å; S598-L600 VanDerWaalsContact O-N 3.07Å
599	E	43.4	Very low	71.8	Confident	191 Å²	191	117.6 Å²	117.6	89%	0.893	60%	0.601	S	S	*	*			trans	-57.5	112.5	163	-68.4	-173.9	156.6	0	0	105.7	K597	K597-E599 VanDerWaalsContact C-N 3.28Å; K597-E599 PolarHBondContact O-N 3.18Å
600	L	34.3	Very low	69.6	Low	239 Å²	239	113.2 Å²	113.2	100%	1.251	59%	0.59	S	S	*	*			trans	-61.7	0	167.1	-90.9	162.9	0	0	0	110.3	S598	S598-L600 PolarHBondContact O-N 2.78Å; S598-L600 VanDerWaalsContact O-N 3.07Å

Retrieved 600 of 600 residues in 265.7 ms (Link to these results)

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