A0A3Q0KSG5_SCHMA Loading...

Nucleoside diphosphate kinase

AlphaFold DB , UniProt , Accession A0A3Q0KSG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 724 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	37.5	Very low	48	Very low	247 Å²	247	146.4 Å²	146.4	100%	1.217	76%	0.759	S	S	*	*				0	128.8	0	-59.6	173.8	-173.6	0	0	107.3
2	A	36.7	Very low	51.4	Low	106 Å²	106	140.5 Å²	140.5	88%	0.876	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-85.8	117.3	176.3	0	0	0	0	0	109.6
3	K	37.5	Very low	54.5	Low	208 Å²	208	138 Å²	138	90%	0.904	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-68.5	133.4	164.7	-82.7	-172.7	171.9	-174.7	0	108	R5	K3-R5 PolarHBondContact O-N 3.4Å
4	K	33.3	Very low	57.1	Low	203 Å²	203	128.1 Å²	128.1	88%	0.883	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-57	132.2	158.3	-76.5	-173.7	172.5	-172.4	0	107.7
5	R	32.7	Very low	59.2	Low	245 Å²	245	122.9 Å²	122.9	93%	0.925	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-66.7	132.3	153.6	-79.8	179.3	165.2	175.3	-7.6	106.4	K3	K3-R5 PolarHBondContact O-N 3.4Å
6	G	34	Very low	61.2	Low	65 Å²	65	119.6 Å²	119.6	67%	0.67	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-72.4	156.5	165.9	0	0	0	0	0	109.7
7	E	35.9	Very low	62.9	Low	203 Å²	203	115.3 Å²	115.3	95%	0.949	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-66.7	136.5	163.4	-72.8	169.7	108.2	0	0	108.6
8	I	50.3	Low	64.3	Low	166 Å²	166	116.4 Å²	116.4	85%	0.851	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-82.1	125.5	173.3	-60.7	172.6	0	0	0	106	L10	I8-L10 PolarHBondContact O-N 2.73Å
9	A	63.6	Low	65.7	Low	73 Å²	73	111.7 Å²	111.7	60%	0.603	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-61.9	133.9	175.1	0	0	0	0	0	109.7	Q11	A9-Q11 VanDerWaalsContact C-N 3.27Å; A9-Q11 PolarHBondContact O-N 2.78Å
10	L	81.2	Confident	67.1	Low	60 Å²	60	106.4 Å²	106.4	31%	0.314	55%	0.552	S	S	.	*	S	Bend	trans	-67.6	-32.2	179.1	176.2	66.5	0	0	0	112.1	I8 V46 K50 K53	I8-L10 PolarHBondContact O-N 2.73Å; L10-V46 HydrophobicContact CD2-CG1 4.12Å; L10-K50 HydrophobicContact CD1-CB 4.43Å; L10-K50 HydrophobicContact CD2-CB 3.63Å; L10-K50 HydrophobicContact CD2-CG 4.23Å; L10-K53 HydrophobicContact CD1-CB 4.16Å; L10-K53 HydrophobicContact CD1-CG 4.4Å
11	Q	84.9	Confident	68.1	Low	34 Å²	34	104.5 Å²	104.5	16%	0.159	54%	0.543	C	S	.	.	S	Bend	trans	-129.5	140	-179.7	-59.6	173.4	-99.9	0	0	107.9	A9 F63 V65	A9-Q11 VanDerWaalsContact C-N 3.27Å; A9-Q11 PolarHBondContact O-N 2.78Å; Q11-F63 VanDerWaalsContact CA-O 3.32Å; Q11-F63 WeakPolarHBondContact CA-O 3.28Å; Q11-F63 HydrophobicContact CB-CB 4.49Å; Q11-F63 HydrophobicContact CG-CB 3.86Å; Q11-V65 HydrophobicContact CB-CG1 4.25Å
12	E	89.8	Confident	70.5	Confident	76 Å²	76	95.9 Å²	95.9	36%	0.355	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.8	174.2	-67.3	176	-94.1	0	0	110.3	L23 K26 F63 A64 V65	E12-L23 HydrophobicContact CB-CD1 4.18Å; E12-L23 HydrophobicContact CB-CD2 4.17Å; E12-K26 IonicContact OE1-NZ 2.71Å; E12-K26 PolarHBondContact OE1-NZ 2.95Å; E12-K26 IonicContact OE2-NZ 2.87Å; E12-K26 PolarHBondContact OE2-NZ 2.94Å; E12-F63 PolarHBondContact N-O 2.91Å; E12-A64 CarbonylContact O-C 3.57Å; E12-A64 WeakPolarHBondContact O-CA 3.32Å; E12-A64 WeakPolarHBondContact O-CB 3.42Å; E12-V65 PolarHBondContact O-N 3.09Å
13	E	90.7	Very high	72.8	Confident	108 Å²	108	91.3 Å²	91.3	51%	0.505	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.5	-178.7	-162.6	-172.6	164.5	0	0	110.4	V15 V65 R67	E13-V15 HydrophobicContact CG-CG1 3.69Å; E13-V15 VanDerWaalsContact OE1-CG1 3.22Å; E13-V15 WeakPolarHBondContact OE1-CG1 3.16Å; E13-V65 HydrophobicContact CB-CG2 4.15Å; E13-V65 HydrophobicContact CG-CG2 3.89Å; E13-R67 IonicContact OE1-NH2 3.5Å; E13-R67 PolarHBondContact OE1-NH2 3.38Å
14	I	91.2	Very high	75.1	Confident	0 Å²	0	86 Å²	86	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.6	172.9	-61.1	155.1	0	0	0	107.5	W20 L23 V32 A64 V65 A66 R67 V71	I14-W20 HydrophobicContact CD1-CE3 3.86Å; I14-W20 HydrophobicContact CD1-CZ3 4.33Å; I14-W20 HydrophobicContact CG2-CB 3.72Å; I14-L23 HydrophobicContact CD1-CD1 4.01Å; I14-L23 HydrophobicContact CG1-CD1 3.36Å; I14-V32 HydrophobicContact CD1-CG1 4.09Å; I14-A64 HydrophobicContact CD1-CB 3.72Å; I14-A64 HydrophobicContact CG1-CB 4.42Å; I14-V65 WeakPolarHBondContact CB-O 3.44Å; I14-V65 PolarHBondContact N-O 2.98Å; I14-A66 HydrophobicContact CB-CB 3.9Å; I14-A66 HydrophobicContact CD1-CB 3.97Å; I14-A66 HydrophobicContact CG2-CB 4.19Å; I14-R67 PolarHBondContact O-N 2.9Å; I14-R67 VanDerWaalsContact O-N 3.15Å; I14-V71 HydrophobicContact CG2-CG2 3.72Å
15	V	89	Confident	77.5	Confident	50 Å²	50	83.3 Å²	83.3	30%	0.303	44%	0.439	S	S	.	.			trans	-117	-11.6	-176.4	-61.3	0	0	0	0	113.5	E13 S19 T70	E13-V15 HydrophobicContact CG-CG1 3.69Å; E13-V15 VanDerWaalsContact OE1-CG1 3.22Å; E13-V15 WeakPolarHBondContact OE1-CG1 3.16Å; V15-S19 PolarHBondContact N-OG 3.13Å; V15-T70 VanDerWaalsContact O-CB 3.28Å; V15-T70 WeakPolarHBondContact O-CB 3.41Å; V15-T70 PolarHBondContact O-OG1 3.41Å
16	D	91	Very high	80.1	Confident	69 Å²	69	75 Å²	75	37%	0.369	41%	0.41	S	S	.	.	S	Bend	trans	-153.6	169.4	-177.2	53.4	39.9	0	0	0	111	D18 S19 W20	D16-D18 VanDerWaalsContact C-N 3.29Å; D16-D18 PolarHBondContact O-N 3.16Å; D16-D18 PolarHBondContact OD1-N 3.35Å; D16-S19 PolarHBondContact N-OG 3.05Å; D16-S19 PolarHBondContact O-OG 3.4Å; D16-S19 WeakPolarHBondContact OD1-CB 3.23Å; D16-S19 PolarHBondContact OD1-N 2.96Å; D16-S19 PolarHBondContact OD1-OG 3.25Å; D16-W20 PolarHBondContact O-N 3.34Å; D16-W20 VanDerWaalsContact O-N 3.16Å
17	E	89.6	Confident	82.7	Confident	47 Å²	47	77.8 Å²	77.8	22%	0.22	41%	0.405	C	S	.	.	H	α-helix	trans	-68.9	-26.1	-178	-161.5	63.2	-152.3	0	0	112.4	N21 V71 E72 S73	E17-N21 WeakPolarHBondContact O-CB 3.27Å; E17-N21 PolarHBondContact O-N 2.72Å; E17-N21 PolarHBondContact O-ND2 2.87Å; E17-V71 VanDerWaalsContact OE2-CG1 3.23Å; E17-V71 WeakPolarHBondContact OE2-CG1 3.16Å; E17-E72 WeakPolarHBondContact OE2-CA 3.3Å; E17-E72 PolarHBondContact OE2-N 3.43Å; E17-S73 WeakPolarHBondContact OE1-CB 3.43Å; E17-S73 PolarHBondContact OE1-OG 2.9Å; E17-S73 PolarHBondContact OE2-N 3.47Å
18	D	89.5	Confident	85.4	Confident	136 Å²	136	68.2 Å²	68.2	73%	0.727	36%	0.361	S	S	*	.	H	α-helix	trans	-71.6	-45	177.3	-82.4	-29.9	0	0	0	111.9	D16 W20 N21 A22	D16-D18 VanDerWaalsContact C-N 3.29Å; D16-D18 PolarHBondContact O-N 3.16Å; D16-D18 PolarHBondContact OD1-N 3.35Å; D18-W20 VanDerWaalsContact C-N 3.33Å; D18-N21 PolarHBondContact O-N 2.84Å; D18-A22 WeakPolarHBondContact O-CB 3.47Å; D18-A22 PolarHBondContact O-N 2.83Å
19	S	90.4	Very high	87.4	Confident	27 Å²	27	60.3 Å²	60.3	19%	0.189	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-38.2	174.1	54.1	0	0	0	0	111.6	V15 D16 A22 L23	V15-S19 PolarHBondContact N-OG 3.13Å; D16-S19 PolarHBondContact N-OG 3.05Å; D16-S19 PolarHBondContact O-OG 3.4Å; D16-S19 WeakPolarHBondContact OD1-CB 3.23Å; D16-S19 PolarHBondContact OD1-N 2.96Å; D16-S19 PolarHBondContact OD1-OG 3.25Å; S19-A22 PolarHBondContact O-N 2.88Å; S19-L23 WeakPolarHBondContact O-CB 3.49Å; S19-L23 PolarHBondContact O-N 2.93Å
20	W	92.4	Very high	88.9	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-52.4	171.1	173.4	-131.2	0	0	0	112.2	I14 D16 D18 A22 L23 R24 M30 V32 V71 S73 F74 F88	I14-W20 HydrophobicContact CD1-CE3 3.86Å; I14-W20 HydrophobicContact CD1-CZ3 4.33Å; I14-W20 HydrophobicContact CG2-CB 3.72Å; D16-W20 PolarHBondContact O-N 3.34Å; D16-W20 VanDerWaalsContact O-N 3.16Å; D18-W20 VanDerWaalsContact C-N 3.33Å; W20-A22 VanDerWaalsContact C-N 3.31Å; W20-A22 PolarHBondContact O-N 2.73Å; W20-L23 PolarHBondContact O-N 2.92Å; W20-L23 VanDerWaalsContact O-N 3.11Å; W20-R24 HydrophobicContact CH2-CB 4.49Å; W20-R24 HydrophobicContact CH2-CG 4.44Å; W20-R24 HydrophobicContact CZ2-CB 4.49Å; W20-R24 HydrophobicContact CZ2-CG 4.28Å; W20-R24 WeakPolarHBondContact O-CB 3.48Å; W20-R24 PolarHBondContact O-N 3.36Å; W20-M30 HydrophobicContact CZ3-SD 4.31Å; W20-V32 HydrophobicContact CZ3-CG2 4.14Å; W20-V71 HydrophobicContact CB-CG1 4.22Å; W20-V71 HydrophobicContact CG-CG1 4.35Å; W20-S73 VanDerWaalsContact CD1-CB 3.44Å; W20-S73 VanDerWaalsContact CD1-OG 3.29Å; W20-S73 PolarHBondContact NE1-OG 2.73Å; W20-F74 HydrophobicContact CD2-CE2 4.21Å; W20-F74 HydrophobicContact CD2-CZ 4.02Å; W20-F74 AromaticContact CE2-CZ 3.94Å; W20-F74 HydrophobicContact CE3-CE2 4.36Å; W20-F74 HydrophobicContact CE3-CZ 4.08Å; W20-F74 HydrophobicContact CH2-CZ 4.06Å; W20-F74 HydrophobicContact CZ2-CE1 4.46Å; W20-F74 AromaticContact CZ2-CZ 3.97Å; W20-F74 HydrophobicContact CZ2-CZ 3.97Å; W20-F74 HydrophobicContact CZ3-CZ 4.11Å; W20-F88 AromaticContact CH2-CD1 3.96Å; W20-F88 HydrophobicContact CH2-CD1 3.96Å; W20-F88 AromaticContact CH2-CD2 3.68Å; W20-F88 HydrophobicContact CH2-CD2 3.68Å; W20-F88 AromaticContact CH2-CE1 3.83Å; W20-F88 HydrophobicContact CH2-CE1 3.83Å; W20-F88 AromaticContact CH2-CE2 3.53Å; W20-F88 HydrophobicContact CH2-CE2 3.53Å; W20-F88 AromaticContact CH2-CG 3.89Å; W20-F88 HydrophobicContact CH2-CG 3.89Å; W20-F88 AromaticContact CH2-CZ 3.61Å; W20-F88 HydrophobicContact CH2-CZ 3.61Å; W20-F88 HydrophobicContact CZ2-CD1 4.33Å; W20-F88 AromaticContact CZ2-CE1 3.89Å; W20-F88 HydrophobicContact CZ2-CE1 3.89Å; W20-F88 HydrophobicContact CZ2-CE2 4.21Å; W20-F88 AromaticContact CZ2-CZ 3.82Å; W20-F88 HydrophobicContact CZ2-CZ 3.82Å; W20-F88 HydrophobicContact CZ3-CD2 4.39Å; W20-F88 HydrophobicContact CZ3-CE2 4.34Å
21	N	90	Very high	89.5	Confident	68 Å²	68	54.4 Å²	54.4	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-37.9	179.6	-82.3	-67.5	0	0	0	112.6	E17 D18 I25	E17-N21 WeakPolarHBondContact O-CB 3.27Å; E17-N21 PolarHBondContact O-N 2.72Å; E17-N21 PolarHBondContact O-ND2 2.87Å; D18-N21 PolarHBondContact O-N 2.84Å; N21-I25 WeakPolarHBondContact O-CD1 3.45Å; N21-I25 WeakPolarHBondContact O-CG1 3.43Å
22	A	87	Confident	90	Very high	65 Å²	65	52.8 Å²	52.8	54%	0.537	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-35.8	174.9	0	0	0	0	0	112.9	D18 S19 W20	D18-A22 WeakPolarHBondContact O-CB 3.47Å; D18-A22 PolarHBondContact O-N 2.83Å; S19-A22 PolarHBondContact O-N 2.88Å; W20-A22 VanDerWaalsContact C-N 3.31Å; W20-A22 PolarHBondContact O-N 2.73Å
23	L	85.8	Confident	90.1	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.052	26%	0.255	C	S	.	.	H	α-helix	trans	-75.3	-40.7	177.4	-85.7	160.6	0	0	0	112.4	E12 I14 S19 W20 I25 K26 M30	E12-L23 HydrophobicContact CB-CD1 4.18Å; E12-L23 HydrophobicContact CB-CD2 4.17Å; I14-L23 HydrophobicContact CD1-CD1 4.01Å; I14-L23 HydrophobicContact CG1-CD1 3.36Å; S19-L23 WeakPolarHBondContact O-CB 3.49Å; S19-L23 PolarHBondContact O-N 2.93Å; W20-L23 PolarHBondContact O-N 2.92Å; W20-L23 VanDerWaalsContact O-N 3.11Å; L23-I25 PolarHBondContact O-N 2.71Å; L23-K26 HydrophobicContact CD2-CD 3.97Å; L23-K26 WeakPolarHBondContact O-CB 3.24Å; L23-K26 WeakPolarHBondContact O-CG 3.44Å; L23-K26 PolarHBondContact O-N 2.72Å; L23-M30 HydrophobicContact CB-CE 3.89Å; L23-M30 HydrophobicContact CB-SD 3.96Å; L23-M30 HydrophobicContact CD2-CE 3.64Å; L23-M30 HydrophobicContact CD2-SD 4.32Å; L23-M30 HydrophobicContact CG-CE 4.4Å; L23-M30 WeakPolarHBondContact O-CE 3.38Å
24	R	84.1	Confident	90.2	Very high	97 Å²	97	44.3 Å²	44.3	37%	0.366	23%	0.232	S	C	.	.	H	α-helix	trans	-57.8	-21.9	179.9	-169.1	177.4	-179.7	-173.3	1.6	114.2	W20 G91	W20-R24 HydrophobicContact CH2-CB 4.49Å; W20-R24 HydrophobicContact CH2-CG 4.44Å; W20-R24 HydrophobicContact CZ2-CB 4.49Å; W20-R24 HydrophobicContact CZ2-CG 4.28Å; W20-R24 WeakPolarHBondContact O-CB 3.48Å; W20-R24 PolarHBondContact O-N 3.36Å; R24-G91 PolarHBondContact NE-O 2.93Å; R24-G91 PolarHBondContact NH2-O 2.84Å; R24-G91 WeakPolarHBondContact O-CA 3.05Å
25	I	85.1	Confident	90.2	Very high	146 Å²	146	45 Å²	45	75%	0.749	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.7	178.6	-64.7	164.9	0	0	0	112.6	N21 L23	N21-I25 WeakPolarHBondContact O-CD1 3.45Å; N21-I25 WeakPolarHBondContact O-CG1 3.43Å; L23-I25 PolarHBondContact O-N 2.71Å
26	K	86.5	Confident	90.1	Very high	70 Å²	70	42.9 Å²	42.9	30%	0.304	22%	0.222	S	C	.	.	S	Bend	trans	-66.7	136.9	-179.6	-66.3	-170.8	-175.1	-176.7	0	111.7	E12 L23 M30	E12-K26 IonicContact OE1-NZ 2.71Å; E12-K26 PolarHBondContact OE1-NZ 2.95Å; E12-K26 IonicContact OE2-NZ 2.87Å; E12-K26 PolarHBondContact OE2-NZ 2.94Å; L23-K26 HydrophobicContact CD2-CD 3.97Å; L23-K26 WeakPolarHBondContact O-CB 3.24Å; L23-K26 WeakPolarHBondContact O-CG 3.44Å; L23-K26 PolarHBondContact O-N 2.72Å; K26-M30 HydrophobicContact CB-CE 4.19Å; K26-M30 HydrophobicContact CD-CE 4.15Å; K26-M30 HydrophobicContact CG-CE 4.48Å
27	Q	89.1	Confident	89.9	Confident	124 Å²	124	45.1 Å²	45.1	58%	0.579	23%	0.23	S	C	*	.	S	Bend	trans	-73.6	136.6	175.2	-175.1	177.4	1.1	0	0	110.9	L60 H62 I120	Q27-L60 HydrophobicContact CG-CD2 4.13Å; Q27-H62 PolarHBondContact O-NE2 2.84Å; Q27-I120 HydrophobicContact CG-CD1 3.97Å
28	G	91.5	Very high	89.8	Confident	2 Å²	2	50.8 Å²	50.8	2%	0.021	25%	0.249	C	C	.	.	S	Bend	trans	115.8	-164.5	179.9	0	0	0	0	0	113.2	L60 G90	G28-L60 CarbonylContact C-O 3.47Å; G28-L60 VanDerWaalsContact CA-O 3.31Å; G28-L60 WeakPolarHBondContact CA-O 3.15Å; G28-G90 PolarHBondContact O-N 3.18Å
29	L	94.2	Very high	89.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.8	177.4	-178.2	74.6	0	0	0	109.4	V31 L60 L61 H62 F87 F88 V94 K112 L113	L29-V31 HydrophobicContact CD2-CG2 4.3Å; L29-V31 HydrophobicContact CG-CG2 4.44Å; L29-L60 PolarHBondContact N-O 3.38Å; L29-L61 HydrophobicContact CD2-CD1 4.19Å; L29-H62 PolarHBondContact O-N 3.31Å; L29-F87 HydrophobicContact CD1-CB 4.29Å; L29-F87 HydrophobicContact CD1-CD1 4.42Å; L29-F87 HydrophobicContact CD2-CD1 4.31Å; L29-F88 CarbonylContact C-O 3.31Å; L29-F88 WeakPolarHBondContact CA-O 3.33Å; L29-V94 HydrophobicContact CD1-CG2 3.9Å; L29-K112 HydrophobicContact CD1-CB 3.86Å; L29-K112 HydrophobicContact CD2-CB 3.87Å; L29-L113 HydrophobicContact CB-CD1 4.26Å; L29-L113 HydrophobicContact CD2-CB 4.08Å
30	M	94.2	Very high	89.3	Confident	9 Å²	9	47.3 Å²	47.3	4%	0.044	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.3	173.1	-174.5	169.7	-65	0	0	110.9	W20 L23 K26 V32 H62 F87 F88	W20-M30 HydrophobicContact CZ3-SD 4.31Å; L23-M30 HydrophobicContact CB-CE 3.89Å; L23-M30 HydrophobicContact CB-SD 3.96Å; L23-M30 HydrophobicContact CD2-CE 3.64Å; L23-M30 HydrophobicContact CD2-SD 4.32Å; L23-M30 HydrophobicContact CG-CE 4.4Å; L23-M30 WeakPolarHBondContact O-CE 3.38Å; K26-M30 HydrophobicContact CB-CE 4.19Å; K26-M30 HydrophobicContact CD-CE 4.15Å; K26-M30 HydrophobicContact CG-CE 4.48Å; M30-V32 HydrophobicContact CG-CG2 3.94Å; M30-V32 HydrophobicContact SD-CG2 4.32Å; M30-H62 WeakPolarHBondContact CA-O 3.31Å; M30-H62 HydrophobicContact CB-CB 4.43Å; M30-H62 HydrophobicContact CE-CB 4.23Å; M30-H62 HydrophobicContact CG-CB 4.42Å; M30-F87 CarbonylContact O-C 3.59Å; M30-F87 WeakPolarHBondContact O-CA 3.43Å; M30-F88 HydrophobicContact CB-CB 4.45Å; M30-F88 PolarHBondContact N-O 3.38Å; M30-F88 PolarHBondContact O-N 2.91Å
31	V	94.5	Very high	89	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.9	175.9	-173.3	0	0	0	0	108.6	L29 F49 L61 H62 F63 A64 F87 I109	L29-V31 HydrophobicContact CD2-CG2 4.3Å; L29-V31 HydrophobicContact CG-CG2 4.44Å; V31-F49 HydrophobicContact CG1-CZ 4.19Å; V31-L61 HydrophobicContact CG2-CD1 4.33Å; V31-H62 PolarHBondContact N-O 3.5Å; V31-F63 HydrophobicContact CB-CD1 3.8Å; V31-F63 HydrophobicContact CB-CE1 4.1Å; V31-F63 HydrophobicContact CG1-CD1 4.31Å; V31-F63 HydrophobicContact CG1-CE1 4.46Å; V31-F63 HydrophobicContact CG2-CD1 4.29Å; V31-F63 HydrophobicContact CG2-CE1 4.15Å; V31-F63 CarbonylContact O-C 3.56Å; V31-F63 WeakPolarHBondContact O-CA 3.43Å; V31-A64 PolarHBondContact O-N 3.1Å; V31-F87 HydrophobicContact CG1-CE1 4.23Å; V31-F87 HydrophobicContact CG1-CE2 4.49Å; V31-F87 HydrophobicContact CG1-CZ 4.18Å; V31-F87 HydrophobicContact CG2-CD1 3.92Å; V31-F87 HydrophobicContact CG2-CE1 3.94Å; V31-I109 HydrophobicContact CG2-CG1 4.15Å
32	V	94	Very high	88.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.8	-174.6	-173.1	0	0	0	0	109.8	I14 W20 M30 V34 A64 A66 F74 F85 L86 F88	I14-V32 HydrophobicContact CD1-CG1 4.09Å; W20-V32 HydrophobicContact CZ3-CG2 4.14Å; M30-V32 HydrophobicContact CG-CG2 3.94Å; M30-V32 HydrophobicContact SD-CG2 4.32Å; V32-V34 HydrophobicContact CG1-CG2 4Å; V32-V34 PolarHBondContact O-N 3.1Å; V32-A64 HydrophobicContact CG2-CB 4.37Å; V32-A66 HydrophobicContact CG1-CB 3.44Å; V32-A66 VanDerWaalsContact CG1-CB 3.44Å; V32-F74 HydrophobicContact CG1-CZ 4.28Å; V32-F85 CarbonylContact O-C 3.54Å; V32-F85 WeakPolarHBondContact O-CA 3.36Å; V32-L86 HydrophobicContact CB-CB 4.49Å; V32-L86 PolarHBondContact N-O 3.04Å; V32-L86 PolarHBondContact O-N 3.43Å; V32-F88 HydrophobicContact CB-CE2 4.47Å; V32-F88 HydrophobicContact CG2-CD2 3.89Å; V32-F88 HydrophobicContact CG2-CE2 3.98Å
33	D	93.2	Very high	88.8	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	103.3	168.9	175.3	24.7	0	0	0	109.4	P41 C42 A64 V65 A66 F85	D33-P41 WeakPolarHBondContact OD2-CB 3.37Å; D33-C42 PolarHBondContact OD2-N 3.32Å; D33-A64 PolarHBondContact N-O 3.45Å; D33-V65 HydrophobicContact CB-CG1 4.18Å; D33-V65 CarbonylContact O-C 2.96Å; D33-V65 WeakPolarHBondContact O-CA 3.28Å; D33-A66 PolarHBondContact O-N 3.49Å; D33-F85 HydrophobicContact CB-CD1 3.92Å; D33-F85 HydrophobicContact CB-CE1 3.74Å; D33-F85 WeakPolarHBondContact OD1-CE1 3.19Å
34	V	92.2	Very high	88.8	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.2	-177.8	-177.1	0	0	0	0	109.8	V32 A66 A68 F74 Y77 Y84 L86	V32-V34 HydrophobicContact CG1-CG2 4Å; V32-V34 PolarHBondContact O-N 3.1Å; V34-A66 WeakPolarHBondContact CA-O 3.38Å; V34-A66 HydrophobicContact CG2-CB 4.49Å; V34-A68 HydrophobicContact CG1-CB 4Å; V34-F74 HydrophobicContact CG1-CB 4.26Å; V34-F74 HydrophobicContact CG1-CG 4.34Å; V34-F74 HydrophobicContact CG2-CD1 4.19Å; V34-F74 HydrophobicContact CG2-CE1 4.29Å; V34-F74 HydrophobicContact CG2-CG 4.45Å; V34-Y77 HydrophobicContact CG1-CD1 4.37Å; V34-Y77 HydrophobicContact CG1-CG 4.07Å; V34-Y84 PolarHBondContact N-O 3.32Å; V34-L86 HydrophobicContact CG2-CD1 3.73Å; V34-L86 HydrophobicContact CG2-CG 3.94Å
35	Y	90.1	Very high	89	Confident	15 Å²	15	48.1 Å²	48.1	6%	0.059	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.1	-171.2	74.9	-87.1	0	0	0	112.6	G40 P41 V65 A66 R67 A68	Y35-G40 WeakPolarHBondContact CB-O 3.32Å; Y35-G40 VanDerWaalsContact CD2-C 3.41Å; Y35-P41 HydrophobicContact CD1-CB 3.9Å; Y35-P41 HydrophobicContact CE1-CB 4.28Å; Y35-P41 HydrophobicContact CG-CB 4.12Å; Y35-V65 HydrophobicContact CD1-CB 4.09Å; Y35-V65 HydrophobicContact CE1-CB 3.82Å; Y35-V65 HydrophobicContact CE1-CG2 4Å; Y35-A66 WeakPolarHBondContact CD1-O 3.41Å; Y35-A66 VanDerWaalsContact CE1-C 3.45Å; Y35-A66 PolarHBondContact N-O 3.03Å; Y35-R67 HydrophobicContact CE1-CB 4.33Å; Y35-R67 HydrophobicContact CE2-CB 4.31Å; Y35-R67 HydrophobicContact CE2-CG 4.18Å; Y35-R67 PolarHBondContact OH-NE 3.06Å; Y35-A68 PolarHBondContact O-N 3.01Å
36	Q	88.2	Confident	89.1	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.023	25%	0.246	C	C	.	.			trans	-97.2	145.4	172.7	-40	-67.2	-59.7	0	0	110.7	W38 C39 G40 D69 Y77 K80	Q36-W38 HydrophobicContact CB-CD2 4.25Å; Q36-W38 HydrophobicContact CB-CG 4.15Å; Q36-W38 HydrophobicContact CB-CZ2 4.32Å; Q36-W38 HydrophobicContact CG-CZ2 3.95Å; Q36-W38 PolarHBondContact O-N 3Å; Q36-W38 VanDerWaalsContact O-N 3.08Å; Q36-C39 PolarHBondContact N-SG 3.13Å; Q36-C39 VanDerWaalsContact N-SG 3.39Å; Q36-C39 PolarHBondContact O-N 2.7Å; Q36-C39 PolarHBondContact O-SG 3.26Å; Q36-G40 PolarHBondContact O-N 3.12Å; Q36-D69 VanDerWaalsContact CA-OD2 3.29Å; Q36-D69 WeakPolarHBondContact CA-OD2 3.46Å; Q36-Y77 PolarHBondContact NE2-O 3.07Å; Q36-K80 WeakPolarHBondContact CG-O 3.35Å; Q36-K80 PolarHBondContact NE2-O 3.39Å
37	E	87.3	Confident	89.3	Confident	116 Å²	116	43 Å²	43	54%	0.542	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.2	-179.9	-173	161.4	155.5	0	0	113.1	R67 D69	E37-R67 HydrophobicContact CB-CG 4.3Å; E37-R67 VanDerWaalsContact CD-NH1 3.27Å; E37-R67 IonicContact OE1-NH1 2.79Å; E37-R67 VanDerWaalsContact OE2-CD 3.32Å; E37-R67 WeakPolarHBondContact OE2-CD 3.15Å; E37-R67 IonicContact OE2-CZ 3.37Å; E37-R67 IonicContact OE2-NE 3.1Å; E37-R67 IonicContact OE2-NH1 2.68Å; E37-R67 PolarHBondContact OE2-NH1 2.7Å; E37-D69 PolarHBondContact N-OD2 2.86Å
38	W	85.9	Confident	89.3	Confident	166 Å²	166	37.9 Å²	37.9	63%	0.629	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.5	179.7	62.7	-97.4	0	0	0	114.8	Q36 C81	Q36-W38 HydrophobicContact CB-CD2 4.25Å; Q36-W38 HydrophobicContact CB-CG 4.15Å; Q36-W38 HydrophobicContact CB-CZ2 4.32Å; Q36-W38 HydrophobicContact CG-CZ2 3.95Å; Q36-W38 PolarHBondContact O-N 3Å; Q36-W38 VanDerWaalsContact O-N 3.08Å; W38-C81 HydrophobicContact CH2-CB 3.72Å; W38-C81 HydrophobicContact CZ2-CB 4.35Å
39	C	83.4	Confident	89.4	Confident	66 Å²	66	37.8 Å²	37.8	45%	0.446	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-31.9	176.4	70.8	0	0	0	0	113.5	Q36	Q36-C39 PolarHBondContact N-SG 3.13Å; Q36-C39 VanDerWaalsContact N-SG 3.39Å; Q36-C39 PolarHBondContact O-N 2.7Å; Q36-C39 PolarHBondContact O-SG 3.26Å
40	G	86.1	Confident	89.2	Confident	25 Å²	25	44.1 Å²	44.1	26%	0.258	26%	0.26	S	S	.	.			trans	75.2	170.6	-171.2	0	0	0	0	0	113.6	Y35 Q36	Y35-G40 WeakPolarHBondContact CB-O 3.32Å; Y35-G40 VanDerWaalsContact CD2-C 3.41Å; Q36-G40 PolarHBondContact O-N 3.12Å
41	P	86.5	Confident	89.2	Confident	60 Å²	60	48 Å²	48	39%	0.39	27%	0.274	S	S	.	.	S	Bend	trans	-69.8	160.1	-179	28.8	-35.3	0	0	0	112.9	D33 Y35 S43 V65	D33-P41 WeakPolarHBondContact OD2-CB 3.37Å; Y35-P41 HydrophobicContact CD1-CB 3.9Å; Y35-P41 HydrophobicContact CE1-CB 4.28Å; Y35-P41 HydrophobicContact CG-CB 4.12Å; P41-S43 PolarHBondContact O-N 2.89Å; P41-V65 HydrophobicContact CB-CB 4.02Å; P41-V65 HydrophobicContact CB-CG1 3.72Å; P41-V65 HydrophobicContact CG-CG1 4.39Å
42	C	85.1	Confident	89.1	Confident	19 Å²	19	48 Å²	48	13%	0.128	27%	0.274	C	S	.	.			trans	-74	88.7	-170.7	-179.3	0	0	0	0	112.7	D33 A44 V45 P83 F85 V100	D33-C42 PolarHBondContact OD2-N 3.32Å; C42-A44 PolarHBondContact O-N 3.22Å; C42-V45 HydrophobicContact CB-CG2 4.09Å; C42-V45 VanDerWaalsContact O-CG2 3.28Å; C42-V45 WeakPolarHBondContact O-CG2 3.27Å; C42-V45 PolarHBondContact O-N 3.03Å; C42-V45 VanDerWaalsContact O-N 3.09Å; C42-P83 HydrophobicContact CB-CB 4.38Å; C42-F85 HydrophobicContact CB-CE1 4.3Å; C42-F85 HydrophobicContact CB-CZ 3.88Å; C42-V100 WeakPolarHBondContact SG-CG2 3.43Å
43	S	87.2	Confident	88.9	Confident	106 Å²	106	51.1 Å²	51.1	74%	0.741	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-27.3	178.8	62.6	0	0	0	0	115.1	P41	P41-S43 PolarHBondContact O-N 2.89Å
44	A	85.8	Confident	88.7	Confident	73 Å²	73	55.9 Å²	55.9	60%	0.603	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.7	179.2	0	0	0	0	0	114.2	C42 V100	C42-A44 PolarHBondContact O-N 3.22Å; A44-V100 HydrophobicContact CB-CG1 4.25Å
45	V	88.5	Confident	88.7	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.012	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.4	-177.2	-60.4	0	0	0	0	113.5	C42 G47 L48 F49 F85 V100 L105	C42-V45 HydrophobicContact CB-CG2 4.09Å; C42-V45 VanDerWaalsContact O-CG2 3.28Å; C42-V45 WeakPolarHBondContact O-CG2 3.27Å; C42-V45 PolarHBondContact O-N 3.03Å; C42-V45 VanDerWaalsContact O-N 3.09Å; V45-G47 PolarHBondContact O-N 3.39Å; V45-L48 WeakPolarHBondContact O-CA 3.37Å; V45-L48 WeakPolarHBondContact O-CB 3.42Å; V45-L48 PolarHBondContact O-N 3.29Å; V45-F49 HydrophobicContact CB-CE1 4.14Å; V45-F49 HydrophobicContact CB-CE2 4.15Å; V45-F49 HydrophobicContact CB-CZ 3.94Å; V45-F49 HydrophobicContact CG2-CD2 4.06Å; V45-F49 HydrophobicContact CG2-CE1 4.33Å; V45-F49 HydrophobicContact CG2-CE2 3.49Å; V45-F49 VanDerWaalsContact CG2-CE2 3.49Å; V45-F49 HydrophobicContact CG2-CZ 3.65Å; V45-F49 PolarHBondContact O-N 2.91Å; V45-F85 HydrophobicContact CB-CE1 4.5Å; V45-F85 HydrophobicContact CG1-CE1 4.19Å; V45-F85 HydrophobicContact CG1-CE2 4.48Å; V45-F85 HydrophobicContact CG1-CZ 3.79Å; V45-F85 HydrophobicContact CG2-CE1 3.69Å; V45-F85 HydrophobicContact CG2-CZ 4.01Å; V45-V100 HydrophobicContact CG1-CG1 3.98Å; V45-L105 HydrophobicContact CG1-CD1 3.71Å
46	V	88.2	Confident	88.8	Confident	57 Å²	57	63.8 Å²	63.8	35%	0.345	36%	0.356	S	S	.	.	H	α-helix	trans	-56.6	-37.1	-179.2	-176.3	0	0	0	0	111.5	L10 K50	L10-V46 HydrophobicContact CD2-CG1 4.12Å; V46-K50 VanDerWaalsContact O-CB 3.27Å; V46-K50 WeakPolarHBondContact O-CB 3.47Å; V46-K50 PolarHBondContact O-N 3.45Å
47	G	89.4	Confident	88.9	Confident	52 Å²	52	69.9 Å²	69.9	54%	0.536	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-40.4	174.4	0	0	0	0	0	113.4	V45 R51	V45-G47 PolarHBondContact O-N 3.39Å; G47-R51 WeakPolarHBondContact O-CB 3.4Å; G47-R51 PolarHBondContact O-N 3.44Å
48	L	90.6	Very high	89.1	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.084	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-50.5	176.9	177.9	64.7	0	0	0	111	V45 K50 R51 L52 P102 L105 E106	V45-L48 WeakPolarHBondContact O-CA 3.37Å; V45-L48 WeakPolarHBondContact O-CB 3.42Å; V45-L48 PolarHBondContact O-N 3.29Å; L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.07Å; L48-R51 VanDerWaalsContact CD1-NH2 3.35Å; L48-R51 WeakPolarHBondContact O-CB 3.47Å; L48-R51 PolarHBondContact O-N 3.41Å; L48-R51 VanDerWaalsContact O-N 3.13Å; L48-L52 HydrophobicContact CD1-CD1 3.91Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.88Å; L48-L52 HydrophobicContact CG-CG 4.42Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.15Å; L48-P102 HydrophobicContact CD2-CB 4.19Å; L48-L105 HydrophobicContact CD2-CB 4.01Å; L48-E106 HydrophobicContact CD1-CB 4.35Å
49	F	92.7	Very high	89.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-37.4	179.8	-61.9	-13.2	0	0	0	111.6	V31 V45 K53 F63 F85 I109	V31-F49 HydrophobicContact CG1-CZ 4.19Å; V45-F49 HydrophobicContact CB-CE1 4.14Å; V45-F49 HydrophobicContact CB-CE2 4.15Å; V45-F49 HydrophobicContact CB-CZ 3.94Å; V45-F49 HydrophobicContact CG2-CD2 4.06Å; V45-F49 HydrophobicContact CG2-CE1 4.33Å; V45-F49 HydrophobicContact CG2-CE2 3.49Å; V45-F49 VanDerWaalsContact CG2-CE2 3.49Å; V45-F49 HydrophobicContact CG2-CZ 3.65Å; V45-F49 PolarHBondContact O-N 2.91Å; F49-K53 VanDerWaalsContact O-CB 3.32Å; F49-K53 WeakPolarHBondContact O-CB 3.3Å; F49-K53 PolarHBondContact O-N 2.92Å; F49-F63 HydrophobicContact CB-CD1 3.86Å; F49-F63 HydrophobicContact CB-CD2 4.28Å; F49-F63 HydrophobicContact CB-CE1 3.78Å; F49-F63 HydrophobicContact CB-CE2 4.19Å; F49-F63 HydrophobicContact CB-CG 4.13Å; F49-F63 HydrophobicContact CB-CZ 3.94Å; F49-F63 AromaticContact CD1-CD1 3.79Å; F49-F63 HydrophobicContact CD1-CD1 3.79Å; F49-F63 AromaticContact CD1-CE1 3.32Å; F49-F63 HydrophobicContact CD1-CE1 3.32Å; F49-F63 HydrophobicContact CD1-CZ 4.04Å; F49-F63 AromaticContact CD2-CD1 3.56Å; F49-F63 HydrophobicContact CD2-CD1 3.56Å; F49-F63 HydrophobicContact CD2-CE1 4.01Å; F49-F63 HydrophobicContact CD2-CG 4.2Å; F49-F63 HydrophobicContact CE1-CD1 4.19Å; F49-F63 AromaticContact CE1-CE1 3.84Å; F49-F63 HydrophobicContact CE1-CE1 3.84Å; F49-F63 AromaticContact CE2-CD1 3.97Å; F49-F63 HydrophobicContact CE2-CD1 3.97Å; F49-F63 HydrophobicContact CE2-CE1 4.43Å; F49-F63 AromaticContact CG-CD1 3.46Å; F49-F63 HydrophobicContact CG-CD1 3.46Å; F49-F63 VanDerWaalsContact CG-CD1 3.46Å; F49-F63 AromaticContact CG-CE1 3.43Å; F49-F63 HydrophobicContact CG-CE1 3.43Å; F49-F63 VanDerWaalsContact CG-CE1 3.43Å; F49-F63 HydrophobicContact CG-CG 4.17Å; F49-F63 HydrophobicContact CG-CZ 4.09Å; F49-F63 HydrophobicContact CZ-CD1 4.27Å; F49-F63 HydrophobicContact CZ-CE1 4.36Å; F49-F85 HydrophobicContact CZ-CD1 4.07Å; F49-F85 HydrophobicContact CZ-CE1 4.19Å; F49-I109 HydrophobicContact CD1-CD1 4.13Å; F49-I109 HydrophobicContact CE1-CD1 3.92Å
50	K	90.8	Very high	89.9	Confident	134 Å²	134	62.7 Å²	62.7	58%	0.583	36%	0.362	S	S	*	.	H	α-helix	trans	-63.5	-42.2	173.9	-168.3	172.1	-178.7	174.6	0	112.4	L10 V46 L48 T54	L10-K50 HydrophobicContact CD1-CB 4.43Å; L10-K50 HydrophobicContact CD2-CB 3.63Å; L10-K50 HydrophobicContact CD2-CG 4.23Å; V46-K50 VanDerWaalsContact O-CB 3.27Å; V46-K50 WeakPolarHBondContact O-CB 3.47Å; V46-K50 PolarHBondContact O-N 3.45Å; L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.07Å; K50-T54 WeakPolarHBondContact O-CB 3.41Å; K50-T54 PolarHBondContact O-N 3.35Å; K50-T54 PolarHBondContact O-OG1 2.98Å
51	R	92.9	Very high	90.2	Very high	89 Å²	89	61.5 Å²	61.5	34%	0.336	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-57.1	174.8	177.1	170.2	66.5	81.5	-8.8	110.2	G47 L48 K53 T54 E55 E106	G47-R51 WeakPolarHBondContact O-CB 3.4Å; G47-R51 PolarHBondContact O-N 3.44Å; L48-R51 VanDerWaalsContact CD1-NH2 3.35Å; L48-R51 WeakPolarHBondContact O-CB 3.47Å; L48-R51 PolarHBondContact O-N 3.41Å; L48-R51 VanDerWaalsContact O-N 3.13Å; R51-K53 PolarHBondContact O-N 2.94Å; R51-T54 CarbonylContact O-C 3.58Å; R51-T54 WeakPolarHBondContact O-CA 3.45Å; R51-T54 WeakPolarHBondContact O-CB 3.46Å; R51-T54 PolarHBondContact O-N 2.91Å; R51-E55 VanDerWaalsContact CD-OE1 3.27Å; R51-E55 WeakPolarHBondContact CD-OE1 3.43Å; R51-E55 HydrophobicContact CG-CG 4.01Å; R51-E55 VanDerWaalsContact CG-OE1 3.23Å; R51-E55 WeakPolarHBondContact CG-OE1 3.43Å; R51-E55 WeakPolarHBondContact CG-OE2 3.39Å; R51-E55 IonicContact CZ-OE2 3.77Å; R51-E55 IonicContact NH1-OE2 3.82Å; R51-E55 PolarHBondContact NH1-OE2 3.07Å; R51-E55 PolarHBondContact O-N 2.88Å; R51-E106 IonicContact CZ-OE1 3.25Å; R51-E106 VanDerWaalsContact CZ-OE1 3.25Å; R51-E106 IonicContact CZ-OE2 3.81Å; R51-E106 IonicContact NH1-OE1 2.78Å; R51-E106 PolarHBondContact NH1-OE1 3.5Å; R51-E106 IonicContact NH2-OE1 3.72Å; R51-E106 PolarHBondContact NH2-OE1 2.81Å; R51-E106 IonicContact NH2-OE2 3.32Å; R51-E106 PolarHBondContact NH2-OE2 2.97Å
52	L	92.1	Very high	90.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-59.2	-42.7	-177.1	-67.7	174.7	0	0	0	113.1	L48 T54 E55 L56 E106 I109	L48-L52 HydrophobicContact CD1-CD1 3.91Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.88Å; L48-L52 HydrophobicContact CG-CG 4.42Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.15Å; L52-T54 PolarHBondContact O-N 3.07Å; L52-E55 PolarHBondContact O-N 3.27Å; L52-L56 HydrophobicContact CB-CD1 4.29Å; L52-L56 HydrophobicContact CD2-CD1 4.43Å; L52-L56 VanDerWaalsContact O-CB 3.28Å; L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 WeakPolarHBondContact O-CG 3.14Å; L52-L56 PolarHBondContact O-N 3.33Å; L52-E106 HydrophobicContact CD2-CG 4.12Å; L52-I109 HydrophobicContact CD1-CB 4.38Å; L52-I109 HydrophobicContact CD1-CD1 3.55Å; L52-I109 HydrophobicContact CD1-CG2 4.23Å
53	K	90.3	Very high	91	Very high	64 Å²	64	59.7 Å²	59.7	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-27.5	175.9	-168.7	59.7	177.3	177.6	0	112.8	L10 F49 R51 N57 D58 L61 F63	L10-K53 HydrophobicContact CD1-CB 4.16Å; L10-K53 HydrophobicContact CD1-CG 4.4Å; F49-K53 VanDerWaalsContact O-CB 3.32Å; F49-K53 WeakPolarHBondContact O-CB 3.3Å; F49-K53 PolarHBondContact O-N 2.92Å; R51-K53 PolarHBondContact O-N 2.94Å; K53-N57 PolarHBondContact O-N 3.38Å; K53-D58 PolarHBondContact NZ-O 2.9Å; K53-L61 PolarHBondContact NZ-O 3.31Å; K53-F63 HydrophobicContact CB-CE2 4.05Å; K53-F63 HydrophobicContact CD-CE2 4.46Å
54	T	90.5	Very high	91.3	Very high	103 Å²	103	54.7 Å²	54.7	63%	0.632	30%	0.299	S	S	*	.	H	α-helix	trans	-86	-40.5	178.3	-51.2	0	0	0	0	112.3	K50 R51 L52	K50-T54 WeakPolarHBondContact O-CB 3.41Å; K50-T54 PolarHBondContact O-N 3.35Å; K50-T54 PolarHBondContact O-OG1 2.98Å; R51-T54 CarbonylContact O-C 3.58Å; R51-T54 WeakPolarHBondContact O-CA 3.45Å; R51-T54 WeakPolarHBondContact O-CB 3.46Å; R51-T54 PolarHBondContact O-N 2.91Å; L52-T54 PolarHBondContact O-N 3.07Å
55	E	91.4	Very high	91.6	Very high	123 Å²	123	51.9 Å²	51.9	58%	0.575	27%	0.274	S	S	*	.	H	α-helix	trans	-75.4	-39.1	-177.5	-72.5	176.8	167.5	0	0	112.5	R51 L52	R51-E55 VanDerWaalsContact CD-OE1 3.27Å; R51-E55 WeakPolarHBondContact CD-OE1 3.43Å; R51-E55 HydrophobicContact CG-CG 4.01Å; R51-E55 VanDerWaalsContact CG-OE1 3.23Å; R51-E55 WeakPolarHBondContact CG-OE1 3.43Å; R51-E55 WeakPolarHBondContact CG-OE2 3.39Å; R51-E55 IonicContact CZ-OE2 3.77Å; R51-E55 IonicContact NH1-OE2 3.82Å; R51-E55 PolarHBondContact NH1-OE2 3.07Å; R51-E55 PolarHBondContact O-N 2.88Å; L52-E55 PolarHBondContact O-N 3.27Å
56	L	91.9	Very high	91.8	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.325	27%	0.273	S	S	.	.	H	α-helix	trans	-82.5	-32.5	177.8	-59.9	169.3	0	0	0	112	L52 D58 L61 L110 L113	L52-L56 HydrophobicContact CB-CD1 4.29Å; L52-L56 HydrophobicContact CD2-CD1 4.43Å; L52-L56 VanDerWaalsContact O-CB 3.28Å; L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 WeakPolarHBondContact O-CG 3.14Å; L52-L56 PolarHBondContact O-N 3.33Å; L56-D58 HydrophobicContact CB-CB 4.33Å; L56-D58 PolarHBondContact O-N 2.94Å; L56-D58 VanDerWaalsContact O-N 3.16Å; L56-L61 HydrophobicContact CD1-CD2 3.79Å; L56-L110 HydrophobicContact CD1-CD2 3.98Å; L56-L110 HydrophobicContact CD2-CD2 3.7Å; L56-L110 HydrophobicContact CG-CD2 4.41Å; L56-L113 HydrophobicContact CD1-CD2 3.95Å
57	N	91.1	Very high	92	Very high	133 Å²	133	51.4 Å²	51.4	71%	0.711	27%	0.266	S	S	*	.			trans	46.2	42.7	-175.8	-167.9	90.8	0	0	0	112.3	K53	K53-N57 PolarHBondContact O-N 3.38Å
58	D	91.6	Very high	92.1	Very high	27 Å²	27	48.9 Å²	48.9	14%	0.144	24%	0.24	C	C	.	.			trans	-97.4	129.5	-173.2	-160	-40.2	0	0	0	111.3	K53 L56 L60 L61 L113 H117	K53-D58 PolarHBondContact NZ-O 2.9Å; L56-D58 HydrophobicContact CB-CB 4.33Å; L56-D58 PolarHBondContact O-N 2.94Å; L56-D58 VanDerWaalsContact O-N 3.16Å; D58-L60 VanDerWaalsContact C-N 3.31Å; D58-L60 WeakPolarHBondContact OD1-CB 3.38Å; D58-L60 PolarHBondContact OD1-N 3.16Å; D58-L61 HydrophobicContact CB-CB 4.15Å; D58-L113 HydrophobicContact CB-CD2 4.1Å; D58-H117 IonicContact OD1-NE2 2.73Å; D58-H117 IonicContact OD2-CD2 3.65Å; D58-H117 IonicContact OD2-CE1 3.7Å; D58-H117 IonicContact OD2-NE2 2.73Å; D58-H117 PolarHBondContact OD2-NE2 3.37Å
59	D	91.1	Very high	92	Very high	144 Å²	144	51.2 Å²	51.2	77%	0.77	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.6	177.4	-77.6	-32.4	0	0	0	113	H62	D59-H62 PolarHBondContact O-CE1 2.89Å; D59-H62 PolarHBondContact O-NE2 3.44Å
60	L	93.3	Very high	91.9	Very high	26 Å²	26	54.1 Å²	54.1	14%	0.136	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-14	174.5	-62.4	-178.2	0	0	0	113.5	Q27 G28 L29 D58 H62 L113 I120	Q27-L60 HydrophobicContact CG-CD2 4.13Å; G28-L60 CarbonylContact C-O 3.47Å; G28-L60 VanDerWaalsContact CA-O 3.31Å; G28-L60 WeakPolarHBondContact CA-O 3.15Å; L29-L60 PolarHBondContact N-O 3.38Å; D58-L60 VanDerWaalsContact C-N 3.31Å; D58-L60 WeakPolarHBondContact OD1-CB 3.38Å; D58-L60 PolarHBondContact OD1-N 3.16Å; L60-H62 PolarHBondContact O-CD2 2.87Å; L60-H62 VanDerWaalsContact O-CD2 3.31Å; L60-H62 PolarHBondContact O-NE2 2.81Å; L60-L113 HydrophobicContact CB-CD1 4.11Å; L60-I120 HydrophobicContact CD1-CD1 3.64Å; L60-I120 HydrophobicContact CD2-CD1 3.99Å; L60-I120 HydrophobicContact CG-CD1 4.48Å
61	L	93.9	Very high	91.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	107.2	-178.9	-179.4	61.7	0	0	0	111.4	L29 V31 K53 L56 D58 F63 I109 L113	L29-L61 HydrophobicContact CD2-CD1 4.19Å; V31-L61 HydrophobicContact CG2-CD1 4.33Å; K53-L61 PolarHBondContact NZ-O 3.31Å; L56-L61 HydrophobicContact CD1-CD2 3.79Å; D58-L61 HydrophobicContact CB-CB 4.15Å; L61-F63 HydrophobicContact CD1-CE2 4.29Å; L61-F63 HydrophobicContact CD1-CZ 4.03Å; L61-F63 HydrophobicContact CD2-CE2 3.78Å; L61-F63 HydrophobicContact CD2-CZ 3.79Å; L61-F63 HydrophobicContact CG-CE2 3.74Å; L61-F63 HydrophobicContact CG-CZ 3.92Å; L61-I109 HydrophobicContact CD1-CG2 3.9Å; L61-I109 HydrophobicContact CD2-CG2 4.19Å; L61-L113 HydrophobicContact CB-CD1 3.99Å; L61-L113 HydrophobicContact CB-CD2 4.08Å; L61-L113 HydrophobicContact CD2-CD2 4.21Å
62	H	93.5	Very high	91.7	Very high	35 Å²	35	50.7 Å²	50.7	16%	0.162	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.2	178.5	-50.4	-69.8	0	0	0	111	Q27 L29 M30 V31 D59 L60	Q27-H62 PolarHBondContact O-NE2 2.84Å; L29-H62 PolarHBondContact O-N 3.31Å; M30-H62 WeakPolarHBondContact CA-O 3.31Å; M30-H62 HydrophobicContact CB-CB 4.43Å; M30-H62 HydrophobicContact CE-CB 4.23Å; M30-H62 HydrophobicContact CG-CB 4.42Å; V31-H62 PolarHBondContact N-O 3.5Å; D59-H62 PolarHBondContact O-CE1 2.89Å; D59-H62 PolarHBondContact O-NE2 3.44Å; L60-H62 PolarHBondContact O-CD2 2.87Å; L60-H62 VanDerWaalsContact O-CD2 3.31Å; L60-H62 PolarHBondContact O-NE2 2.81Å
63	F	94.2	Very high	91.5	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.5	174.1	-63.3	-83.1	0	0	0	110.3	Q11 E12 V31 F49 K53 L61 I109	Q11-F63 VanDerWaalsContact CA-O 3.32Å; Q11-F63 WeakPolarHBondContact CA-O 3.28Å; Q11-F63 HydrophobicContact CB-CB 4.49Å; Q11-F63 HydrophobicContact CG-CB 3.86Å; E12-F63 PolarHBondContact N-O 2.91Å; V31-F63 HydrophobicContact CB-CD1 3.8Å; V31-F63 HydrophobicContact CB-CE1 4.1Å; V31-F63 HydrophobicContact CG1-CD1 4.31Å; V31-F63 HydrophobicContact CG1-CE1 4.46Å; V31-F63 HydrophobicContact CG2-CD1 4.29Å; V31-F63 HydrophobicContact CG2-CE1 4.15Å; V31-F63 CarbonylContact O-C 3.56Å; V31-F63 WeakPolarHBondContact O-CA 3.43Å; F49-F63 HydrophobicContact CB-CD1 3.86Å; F49-F63 HydrophobicContact CB-CD2 4.28Å; F49-F63 HydrophobicContact CB-CE1 3.78Å; F49-F63 HydrophobicContact CB-CE2 4.19Å; F49-F63 HydrophobicContact CB-CG 4.13Å; F49-F63 HydrophobicContact CB-CZ 3.94Å; F49-F63 AromaticContact CD1-CD1 3.79Å; F49-F63 HydrophobicContact CD1-CD1 3.79Å; F49-F63 AromaticContact CD1-CE1 3.32Å; F49-F63 HydrophobicContact CD1-CE1 3.32Å; F49-F63 HydrophobicContact CD1-CZ 4.04Å; F49-F63 AromaticContact CD2-CD1 3.56Å; F49-F63 HydrophobicContact CD2-CD1 3.56Å; F49-F63 HydrophobicContact CD2-CE1 4.01Å; F49-F63 HydrophobicContact CD2-CG 4.2Å; F49-F63 HydrophobicContact CE1-CD1 4.19Å; F49-F63 AromaticContact CE1-CE1 3.84Å; F49-F63 HydrophobicContact CE1-CE1 3.84Å; F49-F63 AromaticContact CE2-CD1 3.97Å; F49-F63 HydrophobicContact CE2-CD1 3.97Å; F49-F63 HydrophobicContact CE2-CE1 4.43Å; F49-F63 AromaticContact CG-CD1 3.46Å; F49-F63 HydrophobicContact CG-CD1 3.46Å; F49-F63 VanDerWaalsContact CG-CD1 3.46Å; F49-F63 AromaticContact CG-CE1 3.43Å; F49-F63 HydrophobicContact CG-CE1 3.43Å; F49-F63 VanDerWaalsContact CG-CE1 3.43Å; F49-F63 HydrophobicContact CG-CG 4.17Å; F49-F63 HydrophobicContact CG-CZ 4.09Å; F49-F63 HydrophobicContact CZ-CD1 4.27Å; F49-F63 HydrophobicContact CZ-CE1 4.36Å; K53-F63 HydrophobicContact CB-CE2 4.05Å; K53-F63 HydrophobicContact CD-CE2 4.46Å; L61-F63 HydrophobicContact CD1-CE2 4.29Å; L61-F63 HydrophobicContact CD1-CZ 4.03Å; L61-F63 HydrophobicContact CD2-CE2 3.78Å; L61-F63 HydrophobicContact CD2-CZ 3.79Å; L61-F63 HydrophobicContact CG-CE2 3.74Å; L61-F63 HydrophobicContact CG-CZ 3.92Å; F63-I109 HydrophobicContact CE1-CD1 3.95Å; F63-I109 HydrophobicContact CZ-CD1 4.36Å
64	A	93.3	Very high	91.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.8	176.9	0	0	0	0	0	111.3	E12 I14 V31 V32 D33	E12-A64 CarbonylContact O-C 3.57Å; E12-A64 WeakPolarHBondContact O-CA 3.32Å; E12-A64 WeakPolarHBondContact O-CB 3.42Å; I14-A64 HydrophobicContact CD1-CB 3.72Å; I14-A64 HydrophobicContact CG1-CB 4.42Å; V31-A64 PolarHBondContact O-N 3.1Å; V32-A64 HydrophobicContact CG2-CB 4.37Å; D33-A64 PolarHBondContact N-O 3.45Å
65	V	93.1	Very high	91.5	Very high	13 Å²	13	51.3 Å²	51.3	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.3	167.1	-59.4	0	0	0	0	107.9	Q11 E12 E13 I14 D33 Y35 P41	Q11-V65 HydrophobicContact CB-CG1 4.25Å; E12-V65 PolarHBondContact O-N 3.09Å; E13-V65 HydrophobicContact CB-CG2 4.15Å; E13-V65 HydrophobicContact CG-CG2 3.89Å; I14-V65 WeakPolarHBondContact CB-O 3.44Å; I14-V65 PolarHBondContact N-O 2.98Å; D33-V65 HydrophobicContact CB-CG1 4.18Å; D33-V65 CarbonylContact O-C 2.96Å; D33-V65 WeakPolarHBondContact O-CA 3.28Å; Y35-V65 HydrophobicContact CD1-CB 4.09Å; Y35-V65 HydrophobicContact CE1-CB 3.82Å; Y35-V65 HydrophobicContact CE1-CG2 4Å; P41-V65 HydrophobicContact CB-CB 4.02Å; P41-V65 HydrophobicContact CB-CG1 3.72Å; P41-V65 HydrophobicContact CG-CG1 4.39Å
66	A	93.1	Very high	91.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.2	-176.9	0	0	0	0	0	113.2	I14 V32 D33 V34 Y35 A68 F74	I14-A66 HydrophobicContact CB-CB 3.9Å; I14-A66 HydrophobicContact CD1-CB 3.97Å; I14-A66 HydrophobicContact CG2-CB 4.19Å; V32-A66 HydrophobicContact CG1-CB 3.44Å; V32-A66 VanDerWaalsContact CG1-CB 3.44Å; D33-A66 PolarHBondContact O-N 3.49Å; V34-A66 WeakPolarHBondContact CA-O 3.38Å; V34-A66 HydrophobicContact CG2-CB 4.49Å; Y35-A66 WeakPolarHBondContact CD1-O 3.41Å; Y35-A66 VanDerWaalsContact CE1-C 3.45Å; Y35-A66 PolarHBondContact N-O 3.03Å; A66-A68 PolarHBondContact O-N 2.62Å; A66-F74 HydrophobicContact CB-CD2 3.73Å; A66-F74 HydrophobicContact CB-CE2 3.44Å; A66-F74 VanDerWaalsContact CB-CE2 3.44Å; A66-F74 HydrophobicContact CB-CZ 4.29Å
67	R	91.6	Very high	91.2	Very high	49 Å²	49	45.9 Å²	45.9	19%	0.185	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	107.5	-179.8	-165.4	-178.1	-55.5	-169.6	10.5	110.7	E13 I14 Y35 E37 D69 T70 V71	E13-R67 IonicContact OE1-NH2 3.5Å; E13-R67 PolarHBondContact OE1-NH2 3.38Å; I14-R67 PolarHBondContact O-N 2.9Å; I14-R67 VanDerWaalsContact O-N 3.15Å; Y35-R67 HydrophobicContact CE1-CB 4.33Å; Y35-R67 HydrophobicContact CE2-CB 4.31Å; Y35-R67 HydrophobicContact CE2-CG 4.18Å; Y35-R67 PolarHBondContact OH-NE 3.06Å; E37-R67 HydrophobicContact CB-CG 4.3Å; E37-R67 VanDerWaalsContact CD-NH1 3.27Å; E37-R67 IonicContact OE1-NH1 2.79Å; E37-R67 VanDerWaalsContact OE2-CD 3.32Å; E37-R67 WeakPolarHBondContact OE2-CD 3.15Å; E37-R67 IonicContact OE2-CZ 3.37Å; E37-R67 IonicContact OE2-NE 3.1Å; E37-R67 IonicContact OE2-NH1 2.68Å; E37-R67 PolarHBondContact OE2-NH1 2.7Å; R67-D69 HydrophobicContact CG-CB 4.43Å; R67-D69 PolarHBondContact O-N 3.07Å; R67-T70 PolarHBondContact O-N 2.82Å; R67-V71 WeakPolarHBondContact O-CG2 3.04Å; R67-V71 PolarHBondContact O-N 3.14Å
68	A	90.8	Very high	91.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.6	-176.7	0	0	0	0	0	112.8	V34 Y35 A66 T70 F74 R78	V34-A68 HydrophobicContact CG1-CB 4Å; Y35-A68 PolarHBondContact O-N 3.01Å; A66-A68 PolarHBondContact O-N 2.62Å; A68-T70 VanDerWaalsContact C-N 3.33Å; A68-T70 PolarHBondContact O-N 2.83Å; A68-F74 HydrophobicContact CB-CB 4.45Å; A68-R78 HydrophobicContact CB-CG 4.18Å; A68-R78 VanDerWaalsContact O-CG 3.23Å; A68-R78 WeakPolarHBondContact O-CG 3.35Å; A68-R78 PolarHBondContact O-NE 3.49Å
69	D	89.4	Confident	90.7	Very high	64 Å²	64	45.2 Å²	45.2	34%	0.342	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-33.1	-178	-47.8	-103.7	0	0	0	113.4	Q36 E37 R67	Q36-D69 VanDerWaalsContact CA-OD2 3.29Å; Q36-D69 WeakPolarHBondContact CA-OD2 3.46Å; E37-D69 PolarHBondContact N-OD2 2.86Å; R67-D69 HydrophobicContact CG-CB 4.43Å; R67-D69 PolarHBondContact O-N 3.07Å
70	T	90.7	Very high	90.3	Very high	62 Å²	62	42.2 Å²	42.2	38%	0.38	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-14.6	-169.2	57.3	0	0	0	0	114.9	V15 R67 A68	V15-T70 VanDerWaalsContact O-CB 3.28Å; V15-T70 WeakPolarHBondContact O-CB 3.41Å; V15-T70 PolarHBondContact O-OG1 3.41Å; R67-T70 PolarHBondContact O-N 2.82Å; A68-T70 VanDerWaalsContact C-N 3.33Å; A68-T70 PolarHBondContact O-N 2.83Å
71	V	90	Very high	89.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.			trans	-96	131.8	176	-178.8	0	0	0	0	108.5	I14 E17 W20 R67 F74 R78	I14-V71 HydrophobicContact CG2-CG2 3.72Å; E17-V71 VanDerWaalsContact OE2-CG1 3.23Å; E17-V71 WeakPolarHBondContact OE2-CG1 3.16Å; W20-V71 HydrophobicContact CB-CG1 4.22Å; W20-V71 HydrophobicContact CG-CG1 4.35Å; R67-V71 WeakPolarHBondContact O-CG2 3.04Å; R67-V71 PolarHBondContact O-N 3.14Å; V71-F74 HydrophobicContact CB-CD2 3.8Å; V71-F74 HydrophobicContact CG1-CD2 3.45Å; V71-F74 VanDerWaalsContact CG1-CD2 3.45Å; V71-F74 HydrophobicContact CG1-CE2 3.84Å; V71-F74 HydrophobicContact CG1-CG 4.29Å; V71-F74 HydrophobicContact CG2-CD2 4.35Å; V71-R78 PolarHBondContact O-NH2 3.17Å
72	E	89.2	Confident	88.6	Confident	151 Å²	151	49 Å²	49	71%	0.706	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-76.4	-39.2	-178	-65.4	-171.1	165.3	0	0	111	E17 F74 E75	E17-E72 WeakPolarHBondContact OE2-CA 3.3Å; E17-E72 PolarHBondContact OE2-N 3.43Å; E72-F74 PolarHBondContact O-N 2.91Å; E72-E75 WeakPolarHBondContact O-CB 3.37Å; E72-E75 PolarHBondContact O-N 2.8Å
73	S	88.1	Confident	88.2	Confident	56 Å²	56	48.8 Å²	48.8	39%	0.392	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-56.8	-15.7	174.6	-80.3	0	0	0	0	114.9	E17 W20	E17-S73 WeakPolarHBondContact OE1-CB 3.43Å; E17-S73 PolarHBondContact OE1-OG 2.9Å; E17-S73 PolarHBondContact OE2-N 3.47Å; W20-S73 VanDerWaalsContact CD1-CB 3.44Å; W20-S73 VanDerWaalsContact CD1-OG 3.29Å; W20-S73 PolarHBondContact NE1-OG 2.73Å
74	F	90.3	Very high	88	Confident	3 Å²	3	49.8 Å²	49.8	1%	0.013	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-112.3	18.1	178.3	-58.4	-52	0	0	0	114	W20 V32 V34 A66 A68 V71 E72 L76 Y77 L86 F88	W20-F74 HydrophobicContact CD2-CE2 4.21Å; W20-F74 HydrophobicContact CD2-CZ 4.02Å; W20-F74 AromaticContact CE2-CZ 3.94Å; W20-F74 HydrophobicContact CE3-CE2 4.36Å; W20-F74 HydrophobicContact CE3-CZ 4.08Å; W20-F74 HydrophobicContact CH2-CZ 4.06Å; W20-F74 HydrophobicContact CZ2-CE1 4.46Å; W20-F74 AromaticContact CZ2-CZ 3.97Å; W20-F74 HydrophobicContact CZ2-CZ 3.97Å; W20-F74 HydrophobicContact CZ3-CZ 4.11Å; V32-F74 HydrophobicContact CG1-CZ 4.28Å; V34-F74 HydrophobicContact CG1-CB 4.26Å; V34-F74 HydrophobicContact CG1-CG 4.34Å; V34-F74 HydrophobicContact CG2-CD1 4.19Å; V34-F74 HydrophobicContact CG2-CE1 4.29Å; V34-F74 HydrophobicContact CG2-CG 4.45Å; A66-F74 HydrophobicContact CB-CD2 3.73Å; A66-F74 HydrophobicContact CB-CE2 3.44Å; A66-F74 VanDerWaalsContact CB-CE2 3.44Å; A66-F74 HydrophobicContact CB-CZ 4.29Å; A68-F74 HydrophobicContact CB-CB 4.45Å; V71-F74 HydrophobicContact CB-CD2 3.8Å; V71-F74 HydrophobicContact CG1-CD2 3.45Å; V71-F74 VanDerWaalsContact CG1-CD2 3.45Å; V71-F74 HydrophobicContact CG1-CE2 3.84Å; V71-F74 HydrophobicContact CG1-CG 4.29Å; V71-F74 HydrophobicContact CG2-CD2 4.35Å; E72-F74 PolarHBondContact O-N 2.91Å; F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 PolarHBondContact O-N 3.31Å; F74-L76 VanDerWaalsContact O-N 3.16Å; F74-Y77 HydrophobicContact CB-CD2 4.36Å; F74-Y77 HydrophobicContact CD1-CD2 4.42Å; F74-Y77 WeakPolarHBondContact O-CB 3.44Å; F74-Y77 PolarHBondContact O-N 3.36Å; F74-L86 HydrophobicContact CD1-CD1 4.01Å; F74-L86 HydrophobicContact CE1-CD1 3.77Å; F74-F88 HydrophobicContact CE1-CE2 4.43Å; F74-F88 HydrophobicContact CE1-CZ 4.17Å
75	E	89.4	Confident	88	Confident	123 Å²	123	49.8 Å²	49.8	58%	0.575	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-52	-39.9	179.9	175.2	163.4	-106	0	0	114.1	E72 Y77 R78	E72-E75 WeakPolarHBondContact O-CB 3.37Å; E72-E75 PolarHBondContact O-N 2.8Å; E75-Y77 PolarHBondContact O-N 3.37Å; E75-R78 WeakPolarHBondContact O-CB 3.41Å; E75-R78 WeakPolarHBondContact O-CG 3.22Å; E75-R78 PolarHBondContact O-N 3.06Å; E75-R78 VanDerWaalsContact O-N 3.1Å; E75-R78 IonicContact OE1-CZ 2.61Å; E75-R78 IonicContact OE1-NH1 2.69Å; E75-R78 PolarHBondContact OE1-NH1 3.03Å
76	L	87.7	Confident	88.1	Confident	66 Å²	66	49.2 Å²	49.2	35%	0.346	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64.7	-12.4	-179.9	-60.2	176.5	0	0	0	114.2	F74 K80 M133 V134	F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 PolarHBondContact O-N 3.31Å; F74-L76 VanDerWaalsContact O-N 3.16Å; L76-K80 PolarHBondContact O-NZ 3.05Å; L76-M133 HydrophobicContact CB-CB 3.76Å; L76-M133 HydrophobicContact CB-CG 4.28Å; L76-M133 HydrophobicContact CD1-CB 4.27Å; L76-V134 HydrophobicContact CD1-CG2 3.41Å; L76-V134 VanDerWaalsContact CD1-CG2 3.41Å
77	Y	89.7	Confident	88.2	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.016	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-99.4	-8.8	-179.9	-62	-96.6	0	0	0	112.7	V34 Q36 F74 E75 Y84 L86 D131 M133	V34-Y77 HydrophobicContact CG1-CD1 4.37Å; V34-Y77 HydrophobicContact CG1-CG 4.07Å; Q36-Y77 PolarHBondContact NE2-O 3.07Å; F74-Y77 HydrophobicContact CB-CD2 4.36Å; F74-Y77 HydrophobicContact CD1-CD2 4.42Å; F74-Y77 WeakPolarHBondContact O-CB 3.44Å; F74-Y77 PolarHBondContact O-N 3.36Å; E75-Y77 PolarHBondContact O-N 3.37Å; Y77-Y84 HydrophobicContact CD1-CD1 4.16Å; Y77-Y84 HydrophobicContact CD1-CD2 4.28Å; Y77-Y84 AromaticContact CD1-CG 3.83Å; Y77-Y84 HydrophobicContact CD1-CG 3.83Å; Y77-Y84 AromaticContact CE1-CD1 3.61Å; Y77-Y84 HydrophobicContact CE1-CD1 3.61Å; Y77-Y84 HydrophobicContact CE1-CE1 4.24Å; Y77-Y84 AromaticContact CE1-CG 3.75Å; Y77-Y84 HydrophobicContact CE1-CG 3.75Å; Y77-L86 HydrophobicContact CE1-CD1 4.11Å; Y77-L86 HydrophobicContact CE1-CD2 3.94Å; Y77-L86 HydrophobicContact CE1-CG 4.42Å; Y77-L86 HydrophobicContact CE2-CD1 3.99Å; Y77-L86 WeakPolarHBondContact OH-CD2 3.34Å; Y77-D131 WeakPolarHBondContact CE2-OD2 3.29Å; Y77-D131 PolarHBondContact OH-OD1 3.25Å; Y77-D131 PolarHBondContact OH-OD2 3.46Å; Y77-M133 HydrophobicContact CD1-CE 3.33Å; Y77-M133 HydrophobicContact CD1-CG 4.13Å; Y77-M133 HydrophobicContact CD2-CG 4.46Å; Y77-M133 HydrophobicContact CE1-CE 3.52Å; Y77-M133 HydrophobicContact CE1-CG 3.69Å; Y77-M133 HydrophobicContact CE1-SD 4.45Å; Y77-M133 HydrophobicContact CE2-CG 4.04Å; Y77-M133 HydrophobicContact CG-CE 4.09Å; Y77-M133 HydrophobicContact CG-CG 4.48Å
78	R	89.5	Confident	88.3	Confident	80 Å²	80	47.8 Å²	47.8	30%	0.302	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	148	-179.7	-67.6	175.2	-175	157.2	2.6	112.4	A68 V71 E75 K80	A68-R78 HydrophobicContact CB-CG 4.18Å; A68-R78 VanDerWaalsContact O-CG 3.23Å; A68-R78 WeakPolarHBondContact O-CG 3.35Å; A68-R78 PolarHBondContact O-NE 3.49Å; V71-R78 PolarHBondContact O-NH2 3.17Å; E75-R78 WeakPolarHBondContact O-CB 3.41Å; E75-R78 WeakPolarHBondContact O-CG 3.22Å; E75-R78 PolarHBondContact O-N 3.06Å; E75-R78 VanDerWaalsContact O-N 3.1Å; E75-R78 IonicContact OE1-CZ 2.61Å; E75-R78 IonicContact OE1-NH1 2.69Å; E75-R78 PolarHBondContact OE1-NH1 3.03Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 2.81Å
79	G	83.7	Confident	88.4	Confident	67 Å²	67	47.8 Å²	47.8	69%	0.691	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	8.5	175.6	0	0	0	0	0	115.6
80	K	81	Confident	88.2	Confident	80 Å²	80	46.7 Å²	46.7	35%	0.348	27%	0.266	S	S	.	.			trans	-105.2	134.4	-176.1	-67.5	169	-176.6	165.3	0	111.1	Q36 L76 R78 M133	Q36-K80 WeakPolarHBondContact CG-O 3.35Å; Q36-K80 PolarHBondContact NE2-O 3.39Å; L76-K80 PolarHBondContact O-NZ 3.05Å; R78-K80 VanDerWaalsContact C-N 3.3Å; R78-K80 PolarHBondContact O-N 2.81Å; K80-M133 HydrophobicContact CD-CE 3.59Å; K80-M133 HydrophobicContact CD-SD 4.4Å; K80-M133 PolarHBondContact NZ-SD 2.75Å
81	C	73.4	Confident	88	Confident	102 Å²	102	44.2 Å²	44.2	69%	0.689	25%	0.253	S	S	*	.	S	Bend	trans	-80.8	-18.4	-179.1	57	0	0	0	0	114.1	W38	W38-C81 HydrophobicContact CH2-CB 3.72Å; W38-C81 HydrophobicContact CZ2-CB 4.35Å
82	E	79.4	Confident	88	Confident	67 Å²	67	46 Å²	46	31%	0.313	27%	0.265	S	S	.	.	S	Bend	trans	-95.8	129.2	-173.1	-171.5	-177.7	176.7	0	0	110.2	K98	E82-K98 WeakPolarHBondContact OE1-CE 3.44Å; E82-K98 VanDerWaalsContact OE1-CG 3.23Å; E82-K98 WeakPolarHBondContact OE1-CG 3.49Å; E82-K98 IonicContact OE1-NZ 3.34Å; E82-K98 PolarHBondContact OE1-NZ 2.85Å; E82-K98 WeakPolarHBondContact OE2-CE 3.25Å; E82-K98 IonicContact OE2-NZ 3.66Å; E82-K98 PolarHBondContact OE2-NZ 2.96Å
83	P	84	Confident	88.2	Confident	31 Å²	31	39.4 Å²	39.4	20%	0.201	23%	0.234	C	C	.	.			trans	-71.4	147.2	-177	28.8	-34	0	0	0	111.6	C42 F85 G99 V100	C42-P83 HydrophobicContact CB-CB 4.38Å; P83-F85 HydrophobicContact CB-CE2 4.22Å; P83-F85 HydrophobicContact CB-CZ 4.16Å; P83-F85 HydrophobicContact CG-CE2 4.28Å; P83-F85 HydrophobicContact CG-CZ 4.43Å; P83-G99 PolarHBondContact O-N 3.1Å; P83-V100 HydrophobicContact CG-CG2 3.46Å; P83-V100 VanDerWaalsContact CG-CG2 3.46Å
84	Y	90.6	Very high	88.4	Confident	27 Å²	27	36.9 Å²	36.9	11%	0.106	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.9	176.1	-89.8	-104.8	0	0	0	110.4	V34 Y77 K98 M133	V34-Y84 PolarHBondContact N-O 3.32Å; Y77-Y84 HydrophobicContact CD1-CD1 4.16Å; Y77-Y84 HydrophobicContact CD1-CD2 4.28Å; Y77-Y84 AromaticContact CD1-CG 3.83Å; Y77-Y84 HydrophobicContact CD1-CG 3.83Å; Y77-Y84 AromaticContact CE1-CD1 3.61Å; Y77-Y84 HydrophobicContact CE1-CD1 3.61Å; Y77-Y84 HydrophobicContact CE1-CE1 4.24Å; Y77-Y84 AromaticContact CE1-CG 3.75Å; Y77-Y84 HydrophobicContact CE1-CG 3.75Å; Y84-K98 HydrophobicContact CD1-CB 4.29Å; Y84-K98 HydrophobicContact CE1-CB 3.82Å; Y84-K98 HydrophobicContact CE1-CD 4.33Å; Y84-K98 HydrophobicContact CE1-CG 4.02Å; Y84-K98 HydrophobicContact CE2-CB 4.49Å; Y84-K98 HydrophobicContact CE2-CD 4.4Å; Y84-K98 HydrophobicContact CE2-CG 3.92Å; Y84-K98 VanDerWaalsContact OH-CD 3.27Å; Y84-K98 WeakPolarHBondContact OH-CD 3.3Å; Y84-K98 VanDerWaalsContact OH-CE 3.27Å; Y84-K98 WeakPolarHBondContact OH-CE 3.43Å; Y84-M133 HydrophobicContact CD1-CE 4.01Å; Y84-M133 HydrophobicContact CD2-CE 3.8Å; Y84-M133 HydrophobicContact CE1-CE 3.56Å; Y84-M133 HydrophobicContact CE1-SD 4.22Å; Y84-M133 HydrophobicContact CE2-CE 3.36Å; Y84-M133 HydrophobicContact CG-CE 4.09Å; Y84-M133 WeakPolarHBondContact OH-CE 3.48Å
85	F	93.8	Very high	88.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	106.2	178	-57.8	-77.6	0	0	0	109	V32 D33 C42 V45 F49 P83 F87 A96 V97 G99 V100 L105	V32-F85 CarbonylContact O-C 3.54Å; V32-F85 WeakPolarHBondContact O-CA 3.36Å; D33-F85 HydrophobicContact CB-CD1 3.92Å; D33-F85 HydrophobicContact CB-CE1 3.74Å; D33-F85 WeakPolarHBondContact OD1-CE1 3.19Å; C42-F85 HydrophobicContact CB-CE1 4.3Å; C42-F85 HydrophobicContact CB-CZ 3.88Å; V45-F85 HydrophobicContact CB-CE1 4.5Å; V45-F85 HydrophobicContact CG1-CE1 4.19Å; V45-F85 HydrophobicContact CG1-CE2 4.48Å; V45-F85 HydrophobicContact CG1-CZ 3.79Å; V45-F85 HydrophobicContact CG2-CE1 3.69Å; V45-F85 HydrophobicContact CG2-CZ 4.01Å; F49-F85 HydrophobicContact CZ-CD1 4.07Å; F49-F85 HydrophobicContact CZ-CE1 4.19Å; P83-F85 HydrophobicContact CB-CE2 4.22Å; P83-F85 HydrophobicContact CB-CZ 4.16Å; P83-F85 HydrophobicContact CG-CE2 4.28Å; P83-F85 HydrophobicContact CG-CZ 4.43Å; F85-F87 HydrophobicContact CB-CE2 4.14Å; F85-F87 WeakPolarHBondContact O-CD2 3.5Å; F85-F87 WeakPolarHBondContact O-CE2 3.29Å; F85-A96 CarbonylContact O-C 3.56Å; F85-A96 WeakPolarHBondContact O-CA 3.23Å; F85-V97 HydrophobicContact CB-CB 4.36Å; F85-V97 PolarHBondContact N-O 2.96Å; F85-V97 PolarHBondContact O-N 3.43Å; F85-G99 WeakPolarHBondContact CE2-O 3.27Å; F85-V100 HydrophobicContact CE2-CG2 4.48Å; F85-L105 HydrophobicContact CB-CD2 3.63Å; F85-L105 HydrophobicContact CD1-CD2 4.43Å; F85-L105 HydrophobicContact CD2-CD1 3.95Å; F85-L105 HydrophobicContact CD2-CD2 3.64Å; F85-L105 HydrophobicContact CD2-CG 4.37Å; F85-L105 HydrophobicContact CE2-CD1 3.94Å; F85-L105 HydrophobicContact CE2-CD2 4.45Å; F85-L105 HydrophobicContact CG-CD1 4.37Å; F85-L105 HydrophobicContact CG-CD2 3.62Å; F85-L105 HydrophobicContact CZ-CD1 4.35Å
86	L	94.3	Very high	88.8	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.4	-177.7	-57.2	-174.9	0	0	0	110.5	V32 V34 F74 Y77 F88 L93 A96	V32-L86 HydrophobicContact CB-CB 4.49Å; V32-L86 PolarHBondContact N-O 3.04Å; V32-L86 PolarHBondContact O-N 3.43Å; V34-L86 HydrophobicContact CG2-CD1 3.73Å; V34-L86 HydrophobicContact CG2-CG 3.94Å; F74-L86 HydrophobicContact CD1-CD1 4.01Å; F74-L86 HydrophobicContact CE1-CD1 3.77Å; Y77-L86 HydrophobicContact CE1-CD1 4.11Å; Y77-L86 HydrophobicContact CE1-CD2 3.94Å; Y77-L86 HydrophobicContact CE1-CG 4.42Å; Y77-L86 HydrophobicContact CE2-CD1 3.99Å; Y77-L86 WeakPolarHBondContact OH-CD2 3.34Å; L86-F88 HydrophobicContact CB-CD2 4.32Å; L86-F88 HydrophobicContact CB-CE2 3.53Å; L86-F88 HydrophobicContact CB-CZ 4.13Å; L86-F88 HydrophobicContact CD1-CE2 4.32Å; L86-F88 HydrophobicContact CD1-CZ 4.25Å; L86-L93 HydrophobicContact CB-CD1 4.03Å; L86-L93 HydrophobicContact CD2-CD1 4.45Å; L86-A96 HydrophobicContact CD2-CB 3.67Å
87	F	95.5	Very high	89	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.1	-174.2	-66.2	-113.8	0	0	0	108.9	L29 M30 V31 F85 V94 A95 V97 L105 C108 I109	L29-F87 HydrophobicContact CD1-CB 4.29Å; L29-F87 HydrophobicContact CD1-CD1 4.42Å; L29-F87 HydrophobicContact CD2-CD1 4.31Å; M30-F87 CarbonylContact O-C 3.59Å; M30-F87 WeakPolarHBondContact O-CA 3.43Å; V31-F87 HydrophobicContact CG1-CE1 4.23Å; V31-F87 HydrophobicContact CG1-CE2 4.49Å; V31-F87 HydrophobicContact CG1-CZ 4.18Å; V31-F87 HydrophobicContact CG2-CD1 3.92Å; V31-F87 HydrophobicContact CG2-CE1 3.94Å; F85-F87 HydrophobicContact CB-CE2 4.14Å; F85-F87 WeakPolarHBondContact O-CD2 3.5Å; F85-F87 WeakPolarHBondContact O-CE2 3.29Å; F87-V94 HydrophobicContact CB-CG2 4.12Å; F87-V94 WeakPolarHBondContact O-CG2 3.46Å; F87-V94 PolarHBondContact O-N 3.46Å; F87-A95 HydrophobicContact CB-CB 3.85Å; F87-A95 WeakPolarHBondContact CB-O 3.47Å; F87-A95 HydrophobicContact CD2-CB 4.07Å; F87-A95 HydrophobicContact CG-CB 3.97Å; F87-A95 PolarHBondContact N-O 2.91Å; F87-A95 PolarHBondContact O-N 3.35Å; F87-V97 HydrophobicContact CE2-CB 4.25Å; F87-V97 HydrophobicContact CE2-CG2 3.81Å; F87-V97 HydrophobicContact CZ-CG2 4.29Å; F87-L105 HydrophobicContact CE2-CD2 4.43Å; F87-L105 HydrophobicContact CZ-CD2 4.22Å; F87-C108 HydrophobicContact CE1-CB 4.07Å; F87-C108 HydrophobicContact CZ-CB 3.86Å; F87-I109 HydrophobicContact CE1-CB 4.46Å; F87-I109 HydrophobicContact CE1-CG1 3.64Å; F87-I109 HydrophobicContact CZ-CG1 4.15Å
88	F	94.3	Very high	89	Confident	20 Å²	20	35.1 Å²	35.1	9%	0.088	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.8	179.8	-62.7	-92.6	0	0	0	111	W20 L29 M30 V32 F74 L86 C92 L93	W20-F88 AromaticContact CH2-CD1 3.96Å; W20-F88 HydrophobicContact CH2-CD1 3.96Å; W20-F88 AromaticContact CH2-CD2 3.68Å; W20-F88 HydrophobicContact CH2-CD2 3.68Å; W20-F88 AromaticContact CH2-CE1 3.83Å; W20-F88 HydrophobicContact CH2-CE1 3.83Å; W20-F88 AromaticContact CH2-CE2 3.53Å; W20-F88 HydrophobicContact CH2-CE2 3.53Å; W20-F88 AromaticContact CH2-CG 3.89Å; W20-F88 HydrophobicContact CH2-CG 3.89Å; W20-F88 AromaticContact CH2-CZ 3.61Å; W20-F88 HydrophobicContact CH2-CZ 3.61Å; W20-F88 HydrophobicContact CZ2-CD1 4.33Å; W20-F88 AromaticContact CZ2-CE1 3.89Å; W20-F88 HydrophobicContact CZ2-CE1 3.89Å; W20-F88 HydrophobicContact CZ2-CE2 4.21Å; W20-F88 AromaticContact CZ2-CZ 3.82Å; W20-F88 HydrophobicContact CZ2-CZ 3.82Å; W20-F88 HydrophobicContact CZ3-CD2 4.39Å; W20-F88 HydrophobicContact CZ3-CE2 4.34Å; L29-F88 CarbonylContact C-O 3.31Å; L29-F88 WeakPolarHBondContact CA-O 3.33Å; M30-F88 HydrophobicContact CB-CB 4.45Å; M30-F88 PolarHBondContact N-O 3.38Å; M30-F88 PolarHBondContact O-N 2.91Å; V32-F88 HydrophobicContact CB-CE2 4.47Å; V32-F88 HydrophobicContact CG2-CD2 3.89Å; V32-F88 HydrophobicContact CG2-CE2 3.98Å; F74-F88 HydrophobicContact CE1-CE2 4.43Å; F74-F88 HydrophobicContact CE1-CZ 4.17Å; L86-F88 HydrophobicContact CB-CD2 4.32Å; L86-F88 HydrophobicContact CB-CE2 3.53Å; L86-F88 HydrophobicContact CB-CZ 4.13Å; L86-F88 HydrophobicContact CD1-CE2 4.32Å; L86-F88 HydrophobicContact CD1-CZ 4.25Å; F88-C92 CarbonylContact C-O 3.59Å; F88-C92 WeakPolarHBondContact CA-O 3.15Å; F88-L93 HydrophobicContact CD1-CB 4.14Å; F88-L93 HydrophobicContact CD1-CD1 4.16Å; F88-L93 HydrophobicContact CD2-CD1 4.47Å; F88-L93 HydrophobicContact CE1-CB 3.92Å; F88-L93 HydrophobicContact CE1-CD1 3.73Å; F88-L93 HydrophobicContact CE1-CG 4.41Å; F88-L93 HydrophobicContact CE2-CD1 4.09Å; F88-L93 HydrophobicContact CZ-CD1 3.69Å
89	G	92	Very high	89	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.1	171.1	0	0	0	0	0	109	G91 C92 R126	G89-G91 PolarHBondContact O-N 2.9Å; G89-C92 PolarHBondContact N-O 3.21Å; G89-C92 PolarHBondContact O-N 2.69Å; G89-R126 VanDerWaalsContact C-NE 3.32Å; G89-R126 WeakPolarHBondContact O-CD 3.49Å; G89-R126 PolarHBondContact O-NE 2.92Å
90	G	86.4	Confident	89.1	Confident	40 Å²	40	31.8 Å²	31.8	41%	0.412	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.7	179.3	0	0	0	0	0	115.6	G28	G28-G90 PolarHBondContact O-N 3.18Å
91	G	86.5	Confident	89.5	Confident	10 Å²	10	31 Å²	31	10%	0.103	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-3.1	-178.5	0	0	0	0	0	116.7	R24 G89	R24-G91 PolarHBondContact NE-O 2.93Å; R24-G91 PolarHBondContact NH2-O 2.84Å; R24-G91 WeakPolarHBondContact O-CA 3.05Å; G89-G91 PolarHBondContact O-N 2.9Å
92	C	89.5	Confident	90.2	Very high	39 Å²	39	29.1 Å²	29.1	26%	0.264	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.8	173.1	-73.3	0	0	0	0	111.2	F88 G89 V94 E128	F88-C92 CarbonylContact C-O 3.59Å; F88-C92 WeakPolarHBondContact CA-O 3.15Å; G89-C92 PolarHBondContact N-O 3.21Å; G89-C92 PolarHBondContact O-N 2.69Å; C92-V94 PolarHBondContact O-N 2.9Å; C92-E128 WeakPolarHBondContact CA-OE1 3.48Å; C92-E128 HydrophobicContact CB-CB 4.05Å; C92-E128 HydrophobicContact CB-CG 4.09Å; C92-E128 WeakPolarHBondContact CB-OE1 3.47Å; C92-E128 VanDerWaalsContact SG-CD 3.6Å; C92-E128 PolarHBondContact SG-OE2 2.88Å
93	L	92.8	Very high	90.8	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.058	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	119.1	176.6	-175.2	71.2	0	0	0	109.8	L86 F88 E128 I129 D131	L86-L93 HydrophobicContact CB-CD1 4.03Å; L86-L93 HydrophobicContact CD2-CD1 4.45Å; F88-L93 HydrophobicContact CD1-CB 4.14Å; F88-L93 HydrophobicContact CD1-CD1 4.16Å; F88-L93 HydrophobicContact CD2-CD1 4.47Å; F88-L93 HydrophobicContact CE1-CB 3.92Å; F88-L93 HydrophobicContact CE1-CD1 3.73Å; F88-L93 HydrophobicContact CE1-CG 4.41Å; F88-L93 HydrophobicContact CE2-CD1 4.09Å; F88-L93 HydrophobicContact CZ-CD1 3.69Å; L93-E128 PolarHBondContact N-OE1 2.65Å; L93-E128 CarbonylContact O-C 3.52Å; L93-E128 VanDerWaalsContact O-CA 3.29Å; L93-E128 WeakPolarHBondContact O-CA 3.45Å; L93-I129 HydrophobicContact CB-CG1 4.34Å; L93-I129 HydrophobicContact CD2-CD1 4.05Å; L93-I129 HydrophobicContact CD2-CG1 3.89Å; L93-I129 HydrophobicContact CG-CD1 4.09Å; L93-I129 HydrophobicContact CG-CG1 3.76Å; L93-I129 WeakPolarHBondContact O-CG1 3.48Å; L93-I129 PolarHBondContact O-N 3.14Å; L93-D131 HydrophobicContact CD2-CB 4.2Å
94	V	93.2	Very high	91.2	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.024	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-15.3	-173.7	-64	0	0	0	0	114.6	L29 F87 C92 K112 R126	L29-V94 HydrophobicContact CD1-CG2 3.9Å; F87-V94 HydrophobicContact CB-CG2 4.12Å; F87-V94 WeakPolarHBondContact O-CG2 3.46Å; F87-V94 PolarHBondContact O-N 3.46Å; C92-V94 PolarHBondContact O-N 2.9Å; V94-K112 HydrophobicContact CB-CD 4.24Å; V94-K112 HydrophobicContact CG2-CD 4.02Å; V94-K112 WeakPolarHBondContact O-CE 3.33Å; V94-K112 PolarHBondContact O-NZ 2.82Å; V94-R126 HydrophobicContact CG1-CG 3.72Å
95	A	93.7	Very high	91.3	Very high	12 Å²	12	31.5 Å²	31.5	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	165.5	168.6	0	0	0	0	0	110.8	F87 K112	F87-A95 HydrophobicContact CB-CB 3.85Å; F87-A95 WeakPolarHBondContact CB-O 3.47Å; F87-A95 HydrophobicContact CD2-CB 4.07Å; F87-A95 HydrophobicContact CG-CB 3.97Å; F87-A95 PolarHBondContact N-O 2.91Å; F87-A95 PolarHBondContact O-N 3.35Å; A95-K112 HydrophobicContact CB-CD 4.11Å; A95-K112 HydrophobicContact CB-CG 4.1Å
96	A	93.2	Very high	91.3	Very high	29 Å²	29	33.9 Å²	33.9	24%	0.24	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.3	170	0	0	0	0	0	109.3	F85 L86 I129 P132	F85-A96 CarbonylContact O-C 3.56Å; F85-A96 WeakPolarHBondContact O-CA 3.23Å; L86-A96 HydrophobicContact CD2-CB 3.67Å; A96-I129 HydrophobicContact CB-CD1 4.39Å; A96-P132 HydrophobicContact CB-CG 3.83Å
97	V	93	Very high	91.3	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.8	174.3	177.2	0	0	0	0	108.6	F85 F87 Q104 L105 C108	F85-V97 HydrophobicContact CB-CB 4.36Å; F85-V97 PolarHBondContact N-O 2.96Å; F85-V97 PolarHBondContact O-N 3.43Å; F87-V97 HydrophobicContact CE2-CB 4.25Å; F87-V97 HydrophobicContact CE2-CG2 3.81Å; F87-V97 HydrophobicContact CZ-CG2 4.29Å; V97-Q104 HydrophobicContact CG1-CG 4.28Å; V97-Q104 HydrophobicContact CG2-CG 4.46Å; V97-L105 HydrophobicContact CB-CD2 3.79Å; V97-L105 HydrophobicContact CG1-CD2 3.76Å; V97-L105 HydrophobicContact CG1-CG 4.19Å; V97-L105 HydrophobicContact CG2-CD2 4.18Å; V97-C108 HydrophobicContact CG2-CB 4.17Å
98	K	90.1	Very high	91.3	Very high	112 Å²	112	41.7 Å²	41.7	49%	0.487	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.1	179.1	173.4	178.4	-170	-72.3	0	109.3	E82 Y84	E82-K98 WeakPolarHBondContact OE1-CE 3.44Å; E82-K98 VanDerWaalsContact OE1-CG 3.23Å; E82-K98 WeakPolarHBondContact OE1-CG 3.49Å; E82-K98 IonicContact OE1-NZ 3.34Å; E82-K98 PolarHBondContact OE1-NZ 2.85Å; E82-K98 WeakPolarHBondContact OE2-CE 3.25Å; E82-K98 IonicContact OE2-NZ 3.66Å; E82-K98 PolarHBondContact OE2-NZ 2.96Å; Y84-K98 HydrophobicContact CD1-CB 4.29Å; Y84-K98 HydrophobicContact CE1-CB 3.82Å; Y84-K98 HydrophobicContact CE1-CD 4.33Å; Y84-K98 HydrophobicContact CE1-CG 4.02Å; Y84-K98 HydrophobicContact CE2-CB 4.49Å; Y84-K98 HydrophobicContact CE2-CD 4.4Å; Y84-K98 HydrophobicContact CE2-CG 3.92Å; Y84-K98 VanDerWaalsContact OH-CD 3.27Å; Y84-K98 WeakPolarHBondContact OH-CD 3.3Å; Y84-K98 VanDerWaalsContact OH-CE 3.27Å; Y84-K98 WeakPolarHBondContact OH-CE 3.43Å
99	G	87.9	Confident	91.3	Very high	9 Å²	9	40.7 Å²	40.7	9%	0.093	24%	0.238	C	C	.	.	S	Bend	trans	75.5	172.3	178.6	0	0	0	0	0	114.4	P83 F85 N101	P83-G99 PolarHBondContact O-N 3.1Å; F85-G99 WeakPolarHBondContact CE2-O 3.27Å; G99-N101 PolarHBondContact O-N 2.79Å
100	V	86.7	Confident	91.4	Very high	68 Å²	68	44.3 Å²	44.3	41%	0.412	26%	0.257	S	S	.	.			trans	-90.3	89.3	-175.3	-170.5	0	0	0	0	110.6	C42 A44 V45 P83 F85	C42-V100 WeakPolarHBondContact SG-CG2 3.43Å; A44-V100 HydrophobicContact CB-CG1 4.25Å; V45-V100 HydrophobicContact CG1-CG1 3.98Å; P83-V100 HydrophobicContact CG-CG2 3.46Å; P83-V100 VanDerWaalsContact CG-CG2 3.46Å; F85-V100 HydrophobicContact CE2-CG2 4.48Å
101	N	88.6	Confident	91.8	Very high	65 Å²	65	45.8 Å²	45.8	35%	0.348	26%	0.261	S	S	.	.			trans	-119.6	89.6	176.5	-172.6	-5.6	0	0	0	110.8	G99 P103 Q104 L105	G99-N101 PolarHBondContact O-N 2.79Å; N101-P103 WeakPolarHBondContact OD1-CD 3.41Å; N101-Q104 HydrophobicContact CB-CB 3.93Å; N101-Q104 VanDerWaalsContact CG-CB 3.47Å; N101-Q104 WeakPolarHBondContact ND2-CB 3.14Å; N101-Q104 PolarHBondContact ND2-OE1 2.81Å; N101-Q104 PolarHBondContact O-N 2.81Å; N101-Q104 VanDerWaalsContact O-N 3.16Å; N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 3.33Å
102	P	89.6	Confident	92.2	Very high	61 Å²	61	47.2 Å²	47.2	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-42.9	-170.8	-23.6	33.2	0	0	0	115.3	L48 L105 E106	L48-P102 HydrophobicContact CD2-CB 4.19Å; P102-L105 PolarHBondContact O-N 2.8Å; P102-E106 WeakPolarHBondContact O-CB 3.45Å; P102-E106 PolarHBondContact O-N 2.85Å
103	P	90.9	Very high	92.4	Very high	90 Å²	90	45.8 Å²	45.8	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-60.3	-43.6	173.4	-25.6	35.4	0	0	0	113.6	N101 E106 E107	N101-P103 WeakPolarHBondContact OD1-CD 3.41Å; P103-E106 PolarHBondContact O-N 3.29Å; P103-E107 WeakPolarHBondContact O-CB 3.22Å; P103-E107 PolarHBondContact O-N 3.35Å
104	Q	92.1	Very high	92.4	Very high	86 Å²	86	51.2 Å²	51.2	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-67.9	-36.1	178.8	-176.5	-178.9	9.5	0	0	111.9	V97 N101 C108	V97-Q104 HydrophobicContact CG1-CG 4.28Å; V97-Q104 HydrophobicContact CG2-CG 4.46Å; N101-Q104 HydrophobicContact CB-CB 3.93Å; N101-Q104 VanDerWaalsContact CG-CB 3.47Å; N101-Q104 WeakPolarHBondContact ND2-CB 3.14Å; N101-Q104 PolarHBondContact ND2-OE1 2.81Å; N101-Q104 PolarHBondContact O-N 2.81Å; N101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-C108 WeakPolarHBondContact O-CB 3.36Å; Q104-C108 PolarHBondContact O-N 2.85Å
105	L	93.7	Very high	92.3	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-44.5	173.1	-72.5	169.5	0	0	0	111.2	V45 L48 F85 F87 V97 N101 P102 C108 I109	V45-L105 HydrophobicContact CG1-CD1 3.71Å; L48-L105 HydrophobicContact CD2-CB 4.01Å; F85-L105 HydrophobicContact CB-CD2 3.63Å; F85-L105 HydrophobicContact CD1-CD2 4.43Å; F85-L105 HydrophobicContact CD2-CD1 3.95Å; F85-L105 HydrophobicContact CD2-CD2 3.64Å; F85-L105 HydrophobicContact CD2-CG 4.37Å; F85-L105 HydrophobicContact CE2-CD1 3.94Å; F85-L105 HydrophobicContact CE2-CD2 4.45Å; F85-L105 HydrophobicContact CG-CD1 4.37Å; F85-L105 HydrophobicContact CG-CD2 3.62Å; F85-L105 HydrophobicContact CZ-CD1 4.35Å; F87-L105 HydrophobicContact CE2-CD2 4.43Å; F87-L105 HydrophobicContact CZ-CD2 4.22Å; V97-L105 HydrophobicContact CB-CD2 3.79Å; V97-L105 HydrophobicContact CG1-CD2 3.76Å; V97-L105 HydrophobicContact CG1-CG 4.19Å; V97-L105 HydrophobicContact CG2-CD2 4.18Å; N101-L105 WeakPolarHBondContact O-CG 3.35Å; N101-L105 PolarHBondContact O-N 3.33Å; P102-L105 PolarHBondContact O-N 2.8Å; L105-C108 PolarHBondContact O-N 3.31Å; L105-I109 WeakPolarHBondContact O-CB 3.41Å; L105-I109 WeakPolarHBondContact O-CD1 3.27Å; L105-I109 WeakPolarHBondContact O-CG1 3.38Å; L105-I109 PolarHBondContact O-N 3.01Å
106	E	94.4	Very high	92.3	Very high	49 Å²	49	52.8 Å²	52.8	23%	0.229	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-48.7	176.9	-179.9	158.1	-153.9	0	0	112.2	L48 R51 L52 P102 P103 C108 I109 L110	L48-E106 HydrophobicContact CD1-CB 4.35Å; R51-E106 IonicContact CZ-OE1 3.25Å; R51-E106 VanDerWaalsContact CZ-OE1 3.25Å; R51-E106 IonicContact CZ-OE2 3.81Å; R51-E106 IonicContact NH1-OE1 2.78Å; R51-E106 PolarHBondContact NH1-OE1 3.5Å; R51-E106 IonicContact NH2-OE1 3.72Å; R51-E106 PolarHBondContact NH2-OE1 2.81Å; R51-E106 IonicContact NH2-OE2 3.32Å; R51-E106 PolarHBondContact NH2-OE2 2.97Å; L52-E106 HydrophobicContact CD2-CG 4.12Å; P102-E106 WeakPolarHBondContact O-CB 3.45Å; P102-E106 PolarHBondContact O-N 2.85Å; P103-E106 PolarHBondContact O-N 3.29Å; E106-C108 VanDerWaalsContact C-N 3.35Å; E106-C108 PolarHBondContact O-N 3.21Å; E106-I109 PolarHBondContact O-N 3.41Å; E106-L110 HydrophobicContact CG-CD1 3.96Å; E106-L110 WeakPolarHBondContact O-CB 3.44Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.48Å; E106-L110 PolarHBondContact O-N 2.92Å
107	E	93.6	Very high	92.3	Very high	143 Å²	143	55.1 Å²	55.1	67%	0.668	29%	0.288	S	S	*	.	H	α-helix	trans	-57.8	-45.7	174.6	-176.4	178.8	-165.6	0	0	111.8	P103 L110 S111	P103-E107 WeakPolarHBondContact O-CB 3.22Å; P103-E107 PolarHBondContact O-N 3.35Å; E107-L110 PolarHBondContact O-N 2.79Å; E107-S111 VanDerWaalsContact O-CB 3.29Å; E107-S111 WeakPolarHBondContact O-CB 3.37Å; E107-S111 PolarHBondContact O-N 3.47Å
108	C	94.4	Very high	92.2	Very high	22 Å²	22	56.7 Å²	56.7	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-42.6	-179.9	-166.3	0	0	0	0	112.3	F87 V97 Q104 L105 E106 K112	F87-C108 HydrophobicContact CE1-CB 4.07Å; F87-C108 HydrophobicContact CZ-CB 3.86Å; V97-C108 HydrophobicContact CG2-CB 4.17Å; Q104-C108 WeakPolarHBondContact O-CB 3.36Å; Q104-C108 PolarHBondContact O-N 2.85Å; L105-C108 PolarHBondContact O-N 3.31Å; E106-C108 VanDerWaalsContact C-N 3.35Å; E106-C108 PolarHBondContact O-N 3.21Å; C108-K112 VanDerWaalsContact O-CB 3.25Å; C108-K112 WeakPolarHBondContact O-CB 3.36Å; C108-K112 VanDerWaalsContact O-CG 3.3Å; C108-K112 WeakPolarHBondContact O-CG 3.31Å; C108-K112 PolarHBondContact O-N 2.96Å
109	I	95	Very high	92.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-51.4	174.7	-70.7	165.5	0	0	0	110.2	V31 F49 L52 L61 F63 F87 L105 E106 S111 K112 L113	V31-I109 HydrophobicContact CG2-CG1 4.15Å; F49-I109 HydrophobicContact CD1-CD1 4.13Å; F49-I109 HydrophobicContact CE1-CD1 3.92Å; L52-I109 HydrophobicContact CD1-CB 4.38Å; L52-I109 HydrophobicContact CD1-CD1 3.55Å; L52-I109 HydrophobicContact CD1-CG2 4.23Å; L61-I109 HydrophobicContact CD1-CG2 3.9Å; L61-I109 HydrophobicContact CD2-CG2 4.19Å; F63-I109 HydrophobicContact CE1-CD1 3.95Å; F63-I109 HydrophobicContact CZ-CD1 4.36Å; F87-I109 HydrophobicContact CE1-CB 4.46Å; F87-I109 HydrophobicContact CE1-CG1 3.64Å; F87-I109 HydrophobicContact CZ-CG1 4.15Å; L105-I109 WeakPolarHBondContact O-CB 3.41Å; L105-I109 WeakPolarHBondContact O-CD1 3.27Å; L105-I109 WeakPolarHBondContact O-CG1 3.38Å; L105-I109 PolarHBondContact O-N 3.01Å; E106-I109 PolarHBondContact O-N 3.41Å; I109-S111 PolarHBondContact O-N 2.85Å; I109-K112 PolarHBondContact O-N 2.68Å; I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 PolarHBondContact O-N 3.03Å
110	L	95.2	Very high	92.3	Very high	76 Å²	76	55.4 Å²	55.4	40%	0.398	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-46	-178.5	-68.1	169.6	0	0	0	111.6	L56 E106 E107 K114	L56-L110 HydrophobicContact CD1-CD2 3.98Å; L56-L110 HydrophobicContact CD2-CD2 3.7Å; L56-L110 HydrophobicContact CG-CD2 4.41Å; E106-L110 HydrophobicContact CG-CD1 3.96Å; E106-L110 WeakPolarHBondContact O-CB 3.44Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.48Å; E106-L110 PolarHBondContact O-N 2.92Å; E107-L110 PolarHBondContact O-N 2.79Å; L110-K114 PolarHBondContact O-N 2.99Å; L110-K114 VanDerWaalsContact O-N 3.15Å
111	S	93.9	Very high	92.5	Very high	70 Å²	70	55.5 Å²	55.5	49%	0.49	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-43.1	178.9	177.8	0	0	0	0	112.6	E107 I109 Q115	E107-S111 VanDerWaalsContact O-CB 3.29Å; E107-S111 WeakPolarHBondContact O-CB 3.37Å; E107-S111 PolarHBondContact O-N 3.47Å; I109-S111 PolarHBondContact O-N 2.85Å; S111-Q115 PolarHBondContact O-N 3.37Å
112	K	94.2	Very high	92.3	Very high	41 Å²	41	55.5 Å²	55.5	18%	0.178	31%	0.312	C	S	.	.	H	α-helix	trans	-79.7	-30.3	-176.2	-68.6	-76.2	156	177	0	112.8	L29 V94 A95 C108 I109 Q115 E116	L29-K112 HydrophobicContact CD1-CB 3.86Å; L29-K112 HydrophobicContact CD2-CB 3.87Å; V94-K112 HydrophobicContact CB-CD 4.24Å; V94-K112 HydrophobicContact CG2-CD 4.02Å; V94-K112 WeakPolarHBondContact O-CE 3.33Å; V94-K112 PolarHBondContact O-NZ 2.82Å; A95-K112 HydrophobicContact CB-CD 4.11Å; A95-K112 HydrophobicContact CB-CG 4.1Å; C108-K112 VanDerWaalsContact O-CB 3.25Å; C108-K112 WeakPolarHBondContact O-CB 3.36Å; C108-K112 VanDerWaalsContact O-CG 3.3Å; C108-K112 WeakPolarHBondContact O-CG 3.31Å; C108-K112 PolarHBondContact O-N 2.96Å; I109-K112 PolarHBondContact O-N 2.68Å; K112-Q115 PolarHBondContact O-N 2.86Å; K112-E116 PolarHBondContact O-N 2.98Å
113	L	94.7	Very high	91.9	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-42.3	173.5	-177.5	62.9	0	0	0	110.2	L29 L56 D58 L60 L61 I109 E116 H117	L29-L113 HydrophobicContact CB-CD1 4.26Å; L29-L113 HydrophobicContact CD2-CB 4.08Å; L56-L113 HydrophobicContact CD1-CD2 3.95Å; D58-L113 HydrophobicContact CB-CD2 4.1Å; L60-L113 HydrophobicContact CB-CD1 4.11Å; L61-L113 HydrophobicContact CB-CD1 3.99Å; L61-L113 HydrophobicContact CB-CD2 4.08Å; L61-L113 HydrophobicContact CD2-CD2 4.21Å; I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 PolarHBondContact O-N 3.03Å; L113-E116 PolarHBondContact O-N 2.81Å; L113-H117 PolarHBondContact O-CD2 2.92Å; L113-H117 VanDerWaalsContact O-CD2 3.31Å; L113-H117 PolarHBondContact O-N 2.91Å
114	K	93.2	Very high	91.6	Very high	125 Å²	125	57.8 Å²	57.8	54%	0.543	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-48.1	170.8	-165.2	-159.5	176	-90.5	0	111.3	L110 E116 H117 D118	L110-K114 PolarHBondContact O-N 2.99Å; L110-K114 VanDerWaalsContact O-N 3.15Å; K114-E116 PolarHBondContact O-N 3.02Å; K114-H117 WeakPolarHBondContact O-CB 3.36Å; K114-H117 PolarHBondContact O-N 3.17Å; K114-H117 VanDerWaalsContact O-N 3.12Å; K114-D118 VanDerWaalsContact NZ-CG 3.33Å; K114-D118 IonicContact NZ-OD1 2.71Å; K114-D118 PolarHBondContact NZ-OD1 3.12Å; K114-D118 VanDerWaalsContact NZ-OD1 3.13Å; K114-D118 IonicContact NZ-OD2 3.07Å; K114-D118 PolarHBondContact NZ-OD2 3.06Å; K114-D118 PolarHBondContact O-N 3.38Å
115	Q	90.7	Very high	91	Very high	43 Å²	43	61.9 Å²	61.9	20%	0.201	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-38.2	178	-172.9	178.1	7.1	0	0	112	S111 K112 D118 V119	S111-Q115 PolarHBondContact O-N 3.37Å; K112-Q115 PolarHBondContact O-N 2.86Å; Q115-D118 PolarHBondContact O-N 3.25Å; Q115-V119 WeakPolarHBondContact O-CB 3.18Å; Q115-V119 VanDerWaalsContact O-CG2 3.23Å; Q115-V119 WeakPolarHBondContact O-CG2 3.43Å; Q115-V119 PolarHBondContact O-N 2.88Å
116	E	92.6	Very high	90.7	Very high	6 Å²	6	66 Å²	66	3%	0.028	35%	0.35	C	S	.	.	H	α-helix	trans	-71.1	-34	178.1	-173.6	65.6	-165.4	0	0	112.6	K112 L113 K114 V119 I120 R126	K112-E116 PolarHBondContact O-N 2.98Å; L113-E116 PolarHBondContact O-N 2.81Å; K114-E116 PolarHBondContact O-N 3.02Å; E116-V119 PolarHBondContact O-N 2.6Å; E116-I120 HydrophobicContact CG-CD1 3.99Å; E116-I120 WeakPolarHBondContact O-CB 3.5Å; E116-I120 WeakPolarHBondContact O-CD1 3.19Å; E116-I120 VanDerWaalsContact O-CG1 3.27Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 3.28Å; E116-R126 VanDerWaalsContact CD-NH2 3.28Å; E116-R126 IonicContact OE1-CZ 3.73Å; E116-R126 IonicContact OE1-NE 2.69Å; E116-R126 IonicContact OE1-NH2 2.62Å; E116-R126 PolarHBondContact OE1-NH2 2.9Å; E116-R126 IonicContact OE2-CZ 3.76Å; E116-R126 IonicContact OE2-NE 3.74Å; E116-R126 PolarHBondContact OE2-NE 3.39Å; E116-R126 IonicContact OE2-NH2 2.58Å; E116-R126 PolarHBondContact OE2-NH2 3.28Å; E116-R126 VanDerWaalsContact OE2-NH2 3.1Å
117	H	93.1	Very high	90.2	Very high	79 Å²	79	68 Å²	68	37%	0.366	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-48.5	167.2	-82.5	-80	0	0	0	111.9	D58 L113 K114 V119 I120 S121	D58-H117 IonicContact OD1-NE2 2.73Å; D58-H117 IonicContact OD2-CD2 3.65Å; D58-H117 IonicContact OD2-CE1 3.7Å; D58-H117 IonicContact OD2-NE2 2.73Å; D58-H117 PolarHBondContact OD2-NE2 3.37Å; L113-H117 PolarHBondContact O-CD2 2.92Å; L113-H117 VanDerWaalsContact O-CD2 3.31Å; L113-H117 PolarHBondContact O-N 2.91Å; K114-H117 WeakPolarHBondContact O-CB 3.36Å; K114-H117 PolarHBondContact O-N 3.17Å; K114-H117 VanDerWaalsContact O-N 3.12Å; H117-V119 PolarHBondContact O-N 3.39Å; H117-I120 PolarHBondContact O-N 2.88Å; H117-I120 VanDerWaalsContact O-N 3.07Å; H117-S121 PolarHBondContact O-N 3.14Å; H117-S121 PolarHBondContact O-OG 3.12Å
118	D	91.1	Very high	90	Very high	37 Å²	37	66.3 Å²	66.3	20%	0.198	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-33.4	178.5	-58.1	-22.4	0	0	0	110.8	K114 Q115 S121 G122 E123 A124	K114-D118 VanDerWaalsContact NZ-CG 3.33Å; K114-D118 IonicContact NZ-OD1 2.71Å; K114-D118 PolarHBondContact NZ-OD1 3.12Å; K114-D118 VanDerWaalsContact NZ-OD1 3.13Å; K114-D118 IonicContact NZ-OD2 3.07Å; K114-D118 PolarHBondContact NZ-OD2 3.06Å; K114-D118 PolarHBondContact O-N 3.38Å; Q115-D118 PolarHBondContact O-N 3.25Å; D118-S121 PolarHBondContact O-OG 2.87Å; D118-G122 PolarHBondContact O-N 3.33Å; D118-E123 CarbonylContact O-C 3.6Å; D118-E123 WeakPolarHBondContact O-CA 3.48Å; D118-E123 PolarHBondContact O-N 2.96Å; D118-A124 HydrophobicContact CB-CB 3.74Å; D118-A124 PolarHBondContact O-N 3.27Å
119	V	91.2	Very high	89.7	Confident	25 Å²	25	68.1 Å²	68.1	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-72.5	-40.7	173.1	166	0	0	0	0	112.4	Q115 E116 H117 G122 A124 R126	Q115-V119 WeakPolarHBondContact O-CB 3.18Å; Q115-V119 VanDerWaalsContact O-CG2 3.23Å; Q115-V119 WeakPolarHBondContact O-CG2 3.43Å; Q115-V119 PolarHBondContact O-N 2.88Å; E116-V119 PolarHBondContact O-N 2.6Å; H117-V119 PolarHBondContact O-N 3.39Å; V119-G122 PolarHBondContact O-N 3.43Å; V119-A124 WeakPolarHBondContact CA-O 3.22Å; V119-A124 HydrophobicContact CG2-CB 4.14Å; V119-R126 HydrophobicContact CG1-CB 4.15Å; V119-R126 HydrophobicContact CG2-CB 4.06Å
120	I	89.3	Confident	89.3	Confident	69 Å²	69	74.9 Å²	74.9	35%	0.354	39%	0.391	S	S	.	.	H	α-helix	trans	-73.6	-28.4	-178.7	-73.5	164	0	0	0	112	Q27 L60 E116 H117 G122	Q27-I120 HydrophobicContact CG-CD1 3.97Å; L60-I120 HydrophobicContact CD1-CD1 3.64Å; L60-I120 HydrophobicContact CD2-CD1 3.99Å; L60-I120 HydrophobicContact CG-CD1 4.48Å; E116-I120 HydrophobicContact CG-CD1 3.99Å; E116-I120 WeakPolarHBondContact O-CB 3.5Å; E116-I120 WeakPolarHBondContact O-CD1 3.19Å; E116-I120 VanDerWaalsContact O-CG1 3.27Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 3.28Å; H117-I120 PolarHBondContact O-N 2.88Å; H117-I120 VanDerWaalsContact O-N 3.07Å; I120-G122 VanDerWaalsContact C-N 3.32Å
121	S	90.7	Very high	88.9	Confident	71 Å²	71	72.9 Å²	72.9	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-75.8	-19.6	169.5	61.3	0	0	0	0	113.4	H117 D118	H117-S121 PolarHBondContact O-N 3.14Å; H117-S121 PolarHBondContact O-OG 3.12Å; D118-S121 PolarHBondContact O-OG 2.87Å
122	G	85.5	Confident	88.6	Confident	65 Å²	65	71.8 Å²	71.8	67%	0.67	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	17.6	-175.2	0	0	0	0	0	114.2	D118 V119 I120	D118-G122 PolarHBondContact O-N 3.33Å; V119-G122 PolarHBondContact O-N 3.43Å; I120-G122 VanDerWaalsContact C-N 3.32Å
123	E	81.4	Confident	88.1	Confident	161 Å²	161	70.3 Å²	70.3	75%	0.752	37%	0.365	S	S	*	.	S	Bend	trans	-87.2	-17.4	176	-66.5	179.4	-156.3	0	0	112.8	D118	D118-E123 CarbonylContact O-C 3.6Å; D118-E123 WeakPolarHBondContact O-CA 3.48Å; D118-E123 PolarHBondContact O-N 2.96Å
124	A	83.2	Confident	87.7	Confident	37 Å²	37	71.9 Å²	71.9	31%	0.306	38%	0.375	S	S	.	.	S	Bend	trans	-137.4	160.8	176.9	0	0	0	0	0	113.1	D118 V119	D118-A124 HydrophobicContact CB-CB 3.74Å; D118-A124 PolarHBondContact O-N 3.27Å; V119-A124 WeakPolarHBondContact CA-O 3.22Å; V119-A124 HydrophobicContact CG2-CB 4.14Å
125	E	80.7	Confident	87.2	Confident	173 Å²	173	69.3 Å²	69.3	81%	0.808	37%	0.367	S	S	*	.			trans	-99	147.7	169.5	-66.1	-171.3	163	0	0	111.2	V127	E125-V127 PolarHBondContact O-N 3.28Å
126	R	87.4	Confident	86.7	Confident	86 Å²	86	70 Å²	70	33%	0.325	38%	0.38	S	S	.	.			trans	-84.5	114.7	177.6	-163.6	-179.6	-63.7	105.5	-6.5	110.2	G89 V94 E116 V119	G89-R126 VanDerWaalsContact C-NE 3.32Å; G89-R126 WeakPolarHBondContact O-CD 3.49Å; G89-R126 PolarHBondContact O-NE 2.92Å; V94-R126 HydrophobicContact CG1-CG 3.72Å; E116-R126 VanDerWaalsContact CD-NH2 3.28Å; E116-R126 IonicContact OE1-CZ 3.73Å; E116-R126 IonicContact OE1-NE 2.69Å; E116-R126 IonicContact OE1-NH2 2.62Å; E116-R126 PolarHBondContact OE1-NH2 2.9Å; E116-R126 IonicContact OE2-CZ 3.76Å; E116-R126 IonicContact OE2-NE 3.74Å; E116-R126 PolarHBondContact OE2-NE 3.39Å; E116-R126 IonicContact OE2-NH2 2.58Å; E116-R126 PolarHBondContact OE2-NH2 3.28Å; E116-R126 VanDerWaalsContact OE2-NH2 3.1Å; V119-R126 HydrophobicContact CG1-CB 4.15Å; V119-R126 HydrophobicContact CG2-CB 4.06Å
127	V	83.5	Confident	86.1	Confident	92 Å²	92	75 Å²	75	56%	0.558	40%	0.402	S	S	*	.			trans	-92.4	114.5	176.4	-176.8	0	0	0	0	109.4	E125	E125-V127 PolarHBondContact O-N 3.28Å
128	E	89.3	Confident	85.6	Confident	107 Å²	107	75.3 Å²	75.3	50%	0.5	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-79.2	132.8	170.1	-178.6	150.3	-132.5	0	0	110.3	C92 L93	C92-E128 WeakPolarHBondContact CA-OE1 3.48Å; C92-E128 HydrophobicContact CB-CB 4.05Å; C92-E128 HydrophobicContact CB-CG 4.09Å; C92-E128 WeakPolarHBondContact CB-OE1 3.47Å; C92-E128 VanDerWaalsContact SG-CD 3.6Å; C92-E128 PolarHBondContact SG-OE2 2.88Å; L93-E128 PolarHBondContact N-OE1 2.65Å; L93-E128 CarbonylContact O-C 3.52Å; L93-E128 VanDerWaalsContact O-CA 3.29Å; L93-E128 WeakPolarHBondContact O-CA 3.45Å
129	I	87.9	Confident	84.9	Confident	60 Å²	60	78.3 Å²	78.3	31%	0.308	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-92.6	148.7	173.6	62.9	157	0	0	0	110.3	L93 A96	L93-I129 HydrophobicContact CB-CG1 4.34Å; L93-I129 HydrophobicContact CD2-CD1 4.05Å; L93-I129 HydrophobicContact CD2-CG1 3.89Å; L93-I129 HydrophobicContact CG-CD1 4.09Å; L93-I129 HydrophobicContact CG-CG1 3.76Å; L93-I129 WeakPolarHBondContact O-CG1 3.48Å; L93-I129 PolarHBondContact O-N 3.14Å; A96-I129 HydrophobicContact CB-CD1 4.39Å
130	R	86.4	Confident	84.1	Confident	142 Å²	142	82.5 Å²	82.5	54%	0.536	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-68.6	140.8	164.3	-63.4	-170.8	76.4	-144.4	0.5	109	I135 E138	R130-I135 HydrophobicContact CB-CD1 4.1Å; R130-I135 HydrophobicContact CB-CG1 4.22Å; R130-E138 IonicContact CZ-OE1 3.7Å; R130-E138 IonicContact CZ-OE2 3.98Å; R130-E138 IonicContact NH1-OE1 2.71Å; R130-E138 IonicContact NH1-OE2 3.93Å; R130-E138 PolarHBondContact NH1-OE2 2.9Å; R130-E138 VanDerWaalsContact NH2-CD 3.28Å; R130-E138 IonicContact NH2-OE1 3.24Å; R130-E138 PolarHBondContact NH2-OE1 2.83Å; R130-E138 IonicContact NH2-OE2 2.8Å; R130-E138 PolarHBondContact NH2-OE2 2.91Å; R130-E138 VanDerWaalsContact NH2-OE2 3.07Å
131	D	87.1	Confident	83.7	Confident	34 Å²	34	84.3 Å²	84.3	18%	0.182	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-59.7	128	178.6	-178	-65.9	0	0	0	111.1	Y77 L93 M133 V134 I135	Y77-D131 WeakPolarHBondContact CE2-OD2 3.29Å; Y77-D131 PolarHBondContact OH-OD1 3.25Å; Y77-D131 PolarHBondContact OH-OD2 3.46Å; L93-D131 HydrophobicContact CD2-CB 4.2Å; D131-M133 PolarHBondContact O-N 2.7Å; D131-M133 WeakPolarHBondContact OD1-CA 3.34Å; D131-M133 WeakPolarHBondContact OD1-CB 3.21Å; D131-M133 PolarHBondContact OD1-N 3.06Å; D131-V134 HydrophobicContact CB-CB 4.36Å; D131-V134 HydrophobicContact CB-CG2 3.91Å; D131-V134 WeakPolarHBondContact O-CB 3.44Å; D131-V134 PolarHBondContact O-N 3.13Å; D131-V134 PolarHBondContact OD1-N 3.2Å; D131-I135 PolarHBondContact O-N 3.47Å
132	P	86.5	Confident	83.1	Confident	46 Å²	46	83.5 Å²	83.5	30%	0.299	44%	0.439	S	S	.	.	H	α-helix	trans	-60.3	-28	-177.8	-25.3	34.4	0	0	0	114.8	A96 I135 A136	A96-P132 HydrophobicContact CB-CG 3.83Å; P132-I135 PolarHBondContact O-N 3.26Å; P132-A136 WeakPolarHBondContact O-CB 3.45Å; P132-A136 PolarHBondContact O-N 3.48Å
133	M	85.6	Confident	82.5	Confident	10 Å²	10	86.1 Å²	86.1	5%	0.049	43%	0.434	C	S	.	.	H	α-helix	trans	-73.1	-32.9	176.6	-55.9	-63.5	-157.2	0	0	111.8	L76 Y77 K80 Y84 D131 K137	L76-M133 HydrophobicContact CB-CB 3.76Å; L76-M133 HydrophobicContact CB-CG 4.28Å; L76-M133 HydrophobicContact CD1-CB 4.27Å; Y77-M133 HydrophobicContact CD1-CE 3.33Å; Y77-M133 HydrophobicContact CD1-CG 4.13Å; Y77-M133 HydrophobicContact CD2-CG 4.46Å; Y77-M133 HydrophobicContact CE1-CE 3.52Å; Y77-M133 HydrophobicContact CE1-CG 3.69Å; Y77-M133 HydrophobicContact CE1-SD 4.45Å; Y77-M133 HydrophobicContact CE2-CG 4.04Å; Y77-M133 HydrophobicContact CG-CE 4.09Å; Y77-M133 HydrophobicContact CG-CG 4.48Å; K80-M133 HydrophobicContact CD-CE 3.59Å; K80-M133 HydrophobicContact CD-SD 4.4Å; K80-M133 PolarHBondContact NZ-SD 2.75Å; Y84-M133 HydrophobicContact CD1-CE 4.01Å; Y84-M133 HydrophobicContact CD2-CE 3.8Å; Y84-M133 HydrophobicContact CE1-CE 3.56Å; Y84-M133 HydrophobicContact CE1-SD 4.22Å; Y84-M133 HydrophobicContact CE2-CE 3.36Å; Y84-M133 HydrophobicContact CG-CE 4.09Å; Y84-M133 WeakPolarHBondContact OH-CE 3.48Å; D131-M133 PolarHBondContact O-N 2.7Å; D131-M133 WeakPolarHBondContact OD1-CA 3.34Å; D131-M133 WeakPolarHBondContact OD1-CB 3.21Å; D131-M133 PolarHBondContact OD1-N 3.06Å; M133-K137 VanDerWaalsContact O-CB 3.26Å; M133-K137 WeakPolarHBondContact O-CB 3.36Å; M133-K137 PolarHBondContact O-N 2.63Å
134	V	85.6	Confident	82.1	Confident	41 Å²	41	82.5 Å²	82.5	25%	0.248	42%	0.419	C	S	.	.	H	α-helix	trans	-64.4	-47.9	171.4	177.1	0	0	0	0	109.7	L76 D131 A136 K137 E138	L76-V134 HydrophobicContact CD1-CG2 3.41Å; L76-V134 VanDerWaalsContact CD1-CG2 3.41Å; D131-V134 HydrophobicContact CB-CB 4.36Å; D131-V134 HydrophobicContact CB-CG2 3.91Å; D131-V134 WeakPolarHBondContact O-CB 3.44Å; D131-V134 PolarHBondContact O-N 3.13Å; D131-V134 PolarHBondContact OD1-N 3.2Å; V134-A136 PolarHBondContact O-N 3.28Å; V134-K137 PolarHBondContact O-N 3.28Å; V134-E138 HydrophobicContact CG1-CG 4.35Å; V134-E138 WeakPolarHBondContact CG1-OE1 3.49Å; V134-E138 WeakPolarHBondContact O-CB 3.42Å; V134-E138 WeakPolarHBondContact O-CG 3.41Å; V134-E138 PolarHBondContact O-N 2.89Å
135	I	82.2	Confident	81.8	Confident	72 Å²	72	86.7 Å²	86.7	37%	0.369	43%	0.43	S	S	.	.	H	α-helix	trans	-60.2	-48.8	178.1	-59	169.2	0	0	0	110.6	R130 D131 P132 K137 E138 L139	R130-I135 HydrophobicContact CB-CD1 4.1Å; R130-I135 HydrophobicContact CB-CG1 4.22Å; D131-I135 PolarHBondContact O-N 3.47Å; P132-I135 PolarHBondContact O-N 3.26Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 2.99Å; I135-E138 PolarHBondContact O-N 2.83Å; I135-L139 HydrophobicContact CG2-CD1 3.92Å; I135-L139 HydrophobicContact CG2-CG 4.39Å; I135-L139 WeakPolarHBondContact O-CB 3.44Å; I135-L139 WeakPolarHBondContact O-CG 3.49Å; I135-L139 PolarHBondContact O-N 2.88Å
136	A	79.4	Confident	81.5	Confident	57 Å²	57	83 Å²	83	47%	0.471	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-34.5	179.7	0	0	0	0	0	112.9	P132 V134 K140	P132-A136 WeakPolarHBondContact O-CB 3.45Å; P132-A136 PolarHBondContact O-N 3.48Å; V134-A136 PolarHBondContact O-N 3.28Å; A136-K140 PolarHBondContact O-N 2.81Å; A136-K140 VanDerWaalsContact O-N 3.13Å
137	K	81	Confident	80.6	Confident	112 Å²	112	86 Å²	86	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-68.9	-49	173.9	-180	-179.8	171.2	-177.6	0	111.6	M133 V134 I135 L139 K140 E141	M133-K137 VanDerWaalsContact O-CB 3.26Å; M133-K137 WeakPolarHBondContact O-CB 3.36Å; M133-K137 PolarHBondContact O-N 2.63Å; V134-K137 PolarHBondContact O-N 3.28Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 2.99Å; K137-L139 VanDerWaalsContact C-N 3.3Å; K137-L139 PolarHBondContact O-N 3.18Å; K137-K140 PolarHBondContact O-N 3.29Å; K137-E141 WeakPolarHBondContact CE-OE1 3.41Å; K137-E141 HydrophobicContact CG-CG 4.45Å; K137-E141 IonicContact NZ-OE1 2.67Å; K137-E141 WeakPolarHBondContact O-CB 3.13Å; K137-E141 WeakPolarHBondContact O-CG 3.24Å; K137-E141 PolarHBondContact O-N 3.44Å
138	E	83.1	Confident	80.2	Confident	85 Å²	85	89.4 Å²	89.4	40%	0.397	43%	0.431	S	S	.	.	H	α-helix	trans	-60.2	-39.5	178.8	-74.4	173.7	175.6	0	0	111.8	R130 V134 I135 A142	R130-E138 IonicContact CZ-OE1 3.7Å; R130-E138 IonicContact CZ-OE2 3.98Å; R130-E138 IonicContact NH1-OE1 2.71Å; R130-E138 IonicContact NH1-OE2 3.93Å; R130-E138 PolarHBondContact NH1-OE2 2.9Å; R130-E138 VanDerWaalsContact NH2-CD 3.28Å; R130-E138 IonicContact NH2-OE1 3.24Å; R130-E138 PolarHBondContact NH2-OE1 2.83Å; R130-E138 IonicContact NH2-OE2 2.8Å; R130-E138 PolarHBondContact NH2-OE2 2.91Å; R130-E138 VanDerWaalsContact NH2-OE2 3.07Å; V134-E138 HydrophobicContact CG1-CG 4.35Å; V134-E138 WeakPolarHBondContact CG1-OE1 3.49Å; V134-E138 WeakPolarHBondContact O-CB 3.42Å; V134-E138 WeakPolarHBondContact O-CG 3.41Å; V134-E138 PolarHBondContact O-N 2.89Å; I135-E138 PolarHBondContact O-N 2.83Å; E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.91Å
139	L	76.2	Confident	79.5	Confident	99 Å²	99	88.1 Å²	88.1	52%	0.518	43%	0.425	S	S	.	.	H	α-helix	trans	-62.6	-51.5	173.2	-72.1	170.7	0	0	0	111.7	I135 K137 E141 A142 E143	I135-L139 HydrophobicContact CG2-CD1 3.92Å; I135-L139 HydrophobicContact CG2-CG 4.39Å; I135-L139 WeakPolarHBondContact O-CB 3.44Å; I135-L139 WeakPolarHBondContact O-CG 3.49Å; I135-L139 PolarHBondContact O-N 2.88Å; K137-L139 VanDerWaalsContact C-N 3.3Å; K137-L139 PolarHBondContact O-N 3.18Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 3.04Å; L139-A142 WeakPolarHBondContact O-CB 3.41Å; L139-A142 PolarHBondContact O-N 3.35Å; L139-A142 VanDerWaalsContact O-N 3.07Å; L139-E143 WeakPolarHBondContact O-CG 3.14Å; L139-E143 PolarHBondContact O-N 3.47Å
140	K	74.4	Confident	78.7	Confident	113 Å²	113	89.4 Å²	89.4	49%	0.491	43%	0.43	S	S	.	.	H	α-helix	trans	-63.4	-34.4	179.5	-171.8	160	-174.3	160.4	0	112.6	A136 K137 I144	A136-K140 PolarHBondContact O-N 2.81Å; A136-K140 VanDerWaalsContact O-N 3.13Å; K137-K140 PolarHBondContact O-N 3.29Å; K140-I144 HydrophobicContact CG-CD1 4.02Å; K140-I144 WeakPolarHBondContact O-CB 3.49Å; K140-I144 WeakPolarHBondContact O-CD1 3.41Å; K140-I144 WeakPolarHBondContact O-CG1 3.44Å; K140-I144 PolarHBondContact O-N 2.9Å; K140-I144 VanDerWaalsContact O-N 3.08Å
141	E	80.8	Confident	78.3	Confident	108 Å²	108	85.8 Å²	85.8	51%	0.505	42%	0.419	S	S	.	.	H	α-helix	trans	-68.8	-37.3	172.9	-73.3	178.9	176.2	0	0	112.1	K137 L139 K145	K137-E141 WeakPolarHBondContact CE-OE1 3.41Å; K137-E141 HydrophobicContact CG-CG 4.45Å; K137-E141 IonicContact NZ-OE1 2.67Å; K137-E141 WeakPolarHBondContact O-CB 3.13Å; K137-E141 WeakPolarHBondContact O-CG 3.24Å; K137-E141 PolarHBondContact O-N 3.44Å; L139-E141 VanDerWaalsContact C-N 3.3Å; L139-E141 PolarHBondContact O-N 3.04Å; E141-K145 WeakPolarHBondContact O-CB 3.36Å; E141-K145 PolarHBondContact O-N 2.71Å
142	A	77.8	Confident	78	Confident	53 Å²	53	87.9 Å²	87.9	44%	0.438	43%	0.428	S	S	.	.	H	α-helix	trans	-68.4	-43	174.4	0	0	0	0	0	112.6	E138 L139 K145 Q146	E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.48Å; E138-A142 PolarHBondContact O-N 2.91Å; L139-A142 WeakPolarHBondContact O-CB 3.41Å; L139-A142 PolarHBondContact O-N 3.35Å; L139-A142 VanDerWaalsContact O-N 3.07Å; A142-K145 PolarHBondContact O-N 3.04Å; A142-Q146 WeakPolarHBondContact O-CB 3.37Å; A142-Q146 PolarHBondContact O-N 3.05Å
143	E	72.7	Confident	77.7	Confident	121 Å²	121	92.8 Å²	92.8	57%	0.565	45%	0.447	S	S	*	.	H	α-helix	trans	-60	-48.1	174.9	-72	168.4	166.3	0	0	111.4	L139 K145 Q146 R147	L139-E143 WeakPolarHBondContact O-CG 3.14Å; L139-E143 PolarHBondContact O-N 3.47Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 3.25Å; E143-Q146 PolarHBondContact O-N 3.48Å; E143-R147 WeakPolarHBondContact O-CB 3.3Å; E143-R147 PolarHBondContact O-N 2.91Å
144	I	74.3	Confident	77.5	Confident	85 Å²	85	94.7 Å²	94.7	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-61.8	-36	176.2	-70.1	166.7	0	0	0	111.2	K140 K148	K140-I144 HydrophobicContact CG-CD1 4.02Å; K140-I144 WeakPolarHBondContact O-CB 3.49Å; K140-I144 WeakPolarHBondContact O-CD1 3.41Å; K140-I144 WeakPolarHBondContact O-CG1 3.44Å; K140-I144 PolarHBondContact O-N 2.9Å; K140-I144 VanDerWaalsContact O-N 3.08Å; I144-K148 HydrophobicContact CG2-CD 4.41Å; I144-K148 WeakPolarHBondContact O-CG 3.48Å; I144-K148 PolarHBondContact O-N 2.83Å
145	K	76.7	Confident	77.5	Confident	125 Å²	125	99.3 Å²	99.3	54%	0.543	48%	0.476	S	S	.	.	H	α-helix	trans	-71.2	-44.8	176.1	-175.8	173.9	-179.2	-76	0	111.9	E141 A142 E143 K148 E149	E141-K145 WeakPolarHBondContact O-CB 3.36Å; E141-K145 PolarHBondContact O-N 2.71Å; A142-K145 PolarHBondContact O-N 3.04Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 3.25Å; K145-K148 CarbonylContact O-C 3.57Å; K145-K148 PolarHBondContact O-N 3.41Å; K145-E149 IonicContact NZ-OE1 3.92Å; K145-E149 PolarHBondContact NZ-OE1 2.91Å; K145-E149 WeakPolarHBondContact O-CG 3.37Å; K145-E149 PolarHBondContact O-N 2.83Å
146	Q	73.2	Confident	77.7	Confident	94 Å²	94	96.4 Å²	96.4	44%	0.439	46%	0.46	S	S	.	.	H	α-helix	trans	-61.8	-46.2	177.6	178	170.1	-2.8	0	0	110.9	A142 E143 K148 E149 E150	A142-Q146 WeakPolarHBondContact O-CB 3.37Å; A142-Q146 PolarHBondContact O-N 3.05Å; E143-Q146 PolarHBondContact O-N 3.48Å; Q146-K148 PolarHBondContact O-N 3.24Å; Q146-E149 WeakPolarHBondContact O-CA 3.31Å; Q146-E149 WeakPolarHBondContact O-CB 3.5Å; Q146-E149 PolarHBondContact O-N 2.85Å; Q146-E150 HydrophobicContact CG-CG 4.36Å; Q146-E150 WeakPolarHBondContact CG-OE1 3Å; Q146-E150 PolarHBondContact NE2-OE1 2.77Å; Q146-E150 PolarHBondContact O-N 2.96Å
147	R	69.5	Low	78.1	Confident	151 Å²	151	94.7 Å²	94.7	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-58	-37.5	176.1	-167.1	171	178.6	-137.9	-29.2	112.1	E143 E150 E151	E143-R147 WeakPolarHBondContact O-CB 3.3Å; E143-R147 PolarHBondContact O-N 2.91Å; R147-E150 PolarHBondContact O-N 2.98Å; R147-E151 HydrophobicContact CG-CG 4.24Å; R147-E151 WeakPolarHBondContact CG-OE1 3.39Å; R147-E151 IonicContact CZ-OE1 3.81Å; R147-E151 IonicContact CZ-OE2 2.83Å; R147-E151 VanDerWaalsContact CZ-OE2 3.26Å; R147-E151 IonicContact NE-OE1 2.77Å; R147-E151 PolarHBondContact NE-OE1 2.89Å; R147-E151 IonicContact NE-OE2 3.41Å; R147-E151 PolarHBondContact NE-OE2 3.4Å; R147-E151 IonicContact NH2-OE1 3.67Å; R147-E151 PolarHBondContact NH2-OE1 2.91Å; R147-E151 IonicContact NH2-OE2 2.71Å; R147-E151 PolarHBondContact NH2-OE2 2.78Å; R147-E151 VanDerWaalsContact O-CB 3.28Å; R147-E151 WeakPolarHBondContact O-CB 3.49Å; R147-E151 PolarHBondContact O-N 2.73Å
148	K	73.9	Confident	78.6	Confident	163 Å²	163	90.1 Å²	90.1	71%	0.709	42%	0.424	S	S	*	.	H	α-helix	trans	-77.5	-10.5	173.1	-70.6	176.9	178.5	-176.5	0	115.4	I144 K145 Q146	I144-K148 HydrophobicContact CG2-CD 4.41Å; I144-K148 WeakPolarHBondContact O-CG 3.48Å; I144-K148 PolarHBondContact O-N 2.83Å; K145-K148 CarbonylContact O-C 3.57Å; K145-K148 PolarHBondContact O-N 3.41Å; Q146-K148 PolarHBondContact O-N 3.24Å
149	E	74.3	Confident	79.1	Confident	80 Å²	80	86.1 Å²	86.1	37%	0.374	41%	0.405	S	S	.	.	H	α-helix	trans	-88.9	-31	169.2	-75.5	175.5	-175.4	0	0	111.3	K145 Q146 K321	K145-E149 IonicContact NZ-OE1 3.92Å; K145-E149 PolarHBondContact NZ-OE1 2.91Å; K145-E149 WeakPolarHBondContact O-CG 3.37Å; K145-E149 PolarHBondContact O-N 2.83Å; Q146-E149 WeakPolarHBondContact O-CA 3.31Å; Q146-E149 WeakPolarHBondContact O-CB 3.5Å; Q146-E149 PolarHBondContact O-N 2.85Å; E149-K321 IonicContact OE2-NZ 3.33Å; E149-K321 PolarHBondContact OE2-NZ 3.33Å
150	E	73	Confident	79.9	Confident	86 Å²	86	81.4 Å²	81.4	40%	0.402	38%	0.38	S	S	.	.	H	α-helix	trans	-96	-24.8	-174.8	-70.1	179.2	-162.5	0	0	115	Q146 R147 K303 R304	Q146-E150 HydrophobicContact CG-CG 4.36Å; Q146-E150 WeakPolarHBondContact CG-OE1 3Å; Q146-E150 PolarHBondContact NE2-OE1 2.77Å; Q146-E150 PolarHBondContact O-N 2.96Å; R147-E150 PolarHBondContact O-N 2.98Å; E150-K303 CarbonylContact O-C 3.52Å; E150-K303 WeakPolarHBondContact O-CA 3.18Å; E150-R304 WeakPolarHBondContact O-CB 3.32Å; E150-R304 PolarHBondContact O-N 3.06Å
151	E	77.8	Confident	80.8	Confident	66 Å²	66	76 Å²	76	31%	0.308	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137	178.8	-67.8	178	-170.3	0	0	111.6	R147 T301 V302	R147-E151 HydrophobicContact CG-CG 4.24Å; R147-E151 WeakPolarHBondContact CG-OE1 3.39Å; R147-E151 IonicContact CZ-OE1 3.81Å; R147-E151 IonicContact CZ-OE2 2.83Å; R147-E151 VanDerWaalsContact CZ-OE2 3.26Å; R147-E151 IonicContact NE-OE1 2.77Å; R147-E151 PolarHBondContact NE-OE1 2.89Å; R147-E151 IonicContact NE-OE2 3.41Å; R147-E151 PolarHBondContact NE-OE2 3.4Å; R147-E151 IonicContact NH2-OE1 3.67Å; R147-E151 PolarHBondContact NH2-OE1 2.91Å; R147-E151 IonicContact NH2-OE2 2.71Å; R147-E151 PolarHBondContact NH2-OE2 2.78Å; R147-E151 VanDerWaalsContact O-CB 3.28Å; R147-E151 WeakPolarHBondContact O-CB 3.49Å; R147-E151 PolarHBondContact O-N 2.73Å; E151-T301 HydrophobicContact CB-CG2 3.69Å; E151-T301 HydrophobicContact CG-CG2 4.02Å; E151-T301 WeakPolarHBondContact OE2-CG2 3.47Å; E151-V302 WeakPolarHBondContact CA-O 3.2Å
152	E	79	Confident	81.5	Confident	79 Å²	79	70.9 Å²	70.9	37%	0.369	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.3	175.4	-168.3	162.6	168.9	0	0	109.3	I154 V302 R304	E152-I154 HydrophobicContact CG-CG2 4.19Å; E152-V302 PolarHBondContact N-O 2.87Å; E152-V302 WeakPolarHBondContact O-CG2 3.42Å; E152-V302 PolarHBondContact O-N 3.42Å; E152-R304 HydrophobicContact CB-CB 4.49Å; E152-R304 IonicContact OE1-NH2 3.95Å; E152-R304 IonicContact OE2-CZ 3.29Å; E152-R304 VanDerWaalsContact OE2-CZ 3.24Å; E152-R304 IonicContact OE2-NE 2.7Å; E152-R304 PolarHBondContact OE2-NE 3.43Å; E152-R304 IonicContact OE2-NH2 3.93Å; E152-R304 PolarHBondContact OE2-NH2 3.16Å
153	E	80.5	Confident	82.3	Confident	148 Å²	148	68.3 Å²	68.3	69%	0.692	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	122	177.3	-71.3	178.2	171.1	0	0	109.6	V299	E153-V299 HydrophobicContact CB-CG1 3.87Å
154	I	83.1	Confident	83.3	Confident	51 Å²	51	62.9 Å²	62.9	26%	0.262	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.3	-177.9	64.4	174.7	0	0	0	111.8	E152 Q156 Q236 V299 I300 V302	E152-I154 HydrophobicContact CG-CG2 4.19Å; I154-Q156 PolarHBondContact O-N 2.85Å; I154-Q236 HydrophobicContact CD1-CG 3.64Å; I154-Q236 VanDerWaalsContact CD1-NE2 3.34Å; I154-V299 WeakPolarHBondContact O-CA 3.41Å; I154-I300 HydrophobicContact CG1-CG1 4.24Å; I154-I300 PolarHBondContact N-O 3.48Å; I154-I300 PolarHBondContact O-N 2.68Å; I154-V302 HydrophobicContact CD1-CB 4.41Å; I154-V302 HydrophobicContact CD1-CG1 3.92Å; I154-V302 HydrophobicContact CD1-CG2 3.59Å; I154-V302 HydrophobicContact CG1-CG1 4.08Å; I154-V302 HydrophobicContact CG1-CG2 3.91Å
155	E	83.8	Confident	84.2	Confident	138 Å²	138	58.9 Å²	58.9	65%	0.645	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61	129.6	170.2	-67.8	170.1	-163.8	0	0	110.4	Q236 P297	E155-Q236 PolarHBondContact O-NE2 3.19Å; E155-P297 HydrophobicContact CB-CB 4.31Å
156	Q	86.8	Confident	84.9	Confident	10 Å²	10	54.1 Å²	54.1	5%	0.047	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-68	132.9	178.9	-166.1	169	14.6	0	0	110.4	I154 L158 A231 L232 P298 I300	I154-Q156 PolarHBondContact O-N 2.85Å; Q156-L158 PolarHBondContact O-N 3Å; Q156-A231 HydrophobicContact CG-CB 4.15Å; Q156-L232 PolarHBondContact NE2-O 2.99Å; Q156-P298 HydrophobicContact CB-CG 4.06Å; Q156-P298 VanDerWaalsContact CB-O 3.27Å; Q156-P298 WeakPolarHBondContact CB-O 3.32Å; Q156-P298 PolarHBondContact N-O 2.88Å; Q156-P298 VanDerWaalsContact OE1-CG 3.29Å; Q156-I300 HydrophobicContact CB-CD1 4.19Å; Q156-I300 HydrophobicContact CB-CG1 4.05Å; Q156-I300 HydrophobicContact CB-CG2 4.11Å; Q156-I300 HydrophobicContact CG-CD1 3.91Å; Q156-I300 HydrophobicContact CG-CG1 4.3Å; Q156-I300 HydrophobicContact CG-CG2 4.22Å
157	E	88.8	Confident	85.9	Confident	21 Å²	21	49.9 Å²	49.9	10%	0.098	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-66.7	124.3	173	-172.7	-176.2	155.3	0	0	110	G237 I238 I239 K281	E157-G237 VanDerWaalsContact OE2-CA 3.24Å; E157-G237 WeakPolarHBondContact OE2-CA 3.44Å; E157-G237 PolarHBondContact OE2-N 3.36Å; E157-I238 HydrophobicContact CB-CG2 4.22Å; E157-I238 HydrophobicContact CG-CG2 3.87Å; E157-I238 WeakPolarHBondContact O-CG2 3.42Å; E157-I239 WeakPolarHBondContact OE1-CG1 3.34Å; E157-I239 PolarHBondContact OE1-N 3.03Å; E157-K281 WeakPolarHBondContact OE1-CE 3.26Å; E157-K281 IonicContact OE1-NZ 2.65Å; E157-K281 WeakPolarHBondContact OE2-CE 3.26Å; E157-K281 IonicContact OE2-NZ 4Å; E157-K281 PolarHBondContact OE2-NZ 3.33Å
158	L	91.6	Very high	87	Confident	17 Å²	17	43.7 Å²	43.7	9%	0.089	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.9	178.1	-55	-173.7	0	0	0	110.9	Q156 L188 V229 C230 A231 L288 Y295 P297	Q156-L158 PolarHBondContact O-N 3Å; L158-L188 HydrophobicContact CD1-CD1 4.47Å; L158-L188 HydrophobicContact CD2-CD1 3.48Å; L158-L188 VanDerWaalsContact CD2-CD1 3.48Å; L158-V229 HydrophobicContact CB-CG1 4.5Å; L158-V229 HydrophobicContact CD1-CG1 4.24Å; L158-C230 WeakPolarHBondContact CA-O 3.32Å; L158-A231 HydrophobicContact CD2-CB 3.66Å; L158-L288 HydrophobicContact CB-CD2 4.27Å; L158-L288 HydrophobicContact CD1-CD2 3.96Å; L158-Y295 HydrophobicContact CD1-CD1 3.81Å; L158-Y295 HydrophobicContact CD1-CE1 3.57Å; L158-P297 HydrophobicContact CD1-CB 3.98Å; L158-P297 HydrophobicContact CD1-CG 4.19Å; L158-P297 HydrophobicContact CG-CB 4.25Å
159	T	92.8	Very high	87.8	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.4	169.4	-169.1	0	0	0	0	110.6	C230 I238 I239 L242 S278	T159-C230 HydrophobicContact CG2-CB 3.84Å; T159-C230 PolarHBondContact N-O 3.26Å; T159-C230 PolarHBondContact O-N 2.93Å; T159-I238 HydrophobicContact CG2-CB 4.43Å; T159-I238 HydrophobicContact CG2-CG1 3.67Å; T159-I238 HydrophobicContact CG2-CG2 3.93Å; T159-I239 HydrophobicContact CG2-CG1 4.46Å; T159-L242 HydrophobicContact CG2-CD2 3.51Å; T159-S278 WeakPolarHBondContact OG1-CB 3.28Å; T159-S278 PolarHBondContact OG1-OG 3.15Å; T159-S278 VanDerWaalsContact OG1-OG 3.09Å
160	L	93	Very high	88.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.4	177.8	-172.7	140	0	0	0	109.4	V162 F203 I227 S278 E287 F291 Y292	L160-V162 HydrophobicContact CD2-CG2 3.59Å; L160-F203 HydrophobicContact CD2-CE2 4.31Å; L160-F203 HydrophobicContact CD2-CZ 4.13Å; L160-I227 HydrophobicContact CD1-CG2 3.64Å; L160-I227 HydrophobicContact CD2-CG2 4.04Å; L160-I227 HydrophobicContact CG-CG2 3.94Å; L160-S278 PolarHBondContact O-OG 2.87Å; L160-E287 HydrophobicContact CB-CB 4.13Å; L160-E287 HydrophobicContact CD2-CB 4.27Å; L160-F291 HydrophobicContact CD1-CB 4.1Å; L160-F291 HydrophobicContact CD1-CD2 3.69Å; L160-F291 HydrophobicContact CD1-CG 4.32Å; L160-F291 HydrophobicContact CD2-CD2 4.1Å; L160-F291 HydrophobicContact CD2-CE2 4.29Å; L160-Y292 HydrophobicContact CD1-CD2 4.45Å
161	A	93.9	Very high	89.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.6	169.9	0	0	0	0	0	111.1	I228 L242 I275 H276 A277	A161-I228 HydrophobicContact CB-CD1 4.16Å; A161-I228 HydrophobicContact CB-CG1 3.79Å; A161-I228 PolarHBondContact N-O 3.22Å; A161-I228 PolarHBondContact O-N 2.83Å; A161-L242 HydrophobicContact CB-CD2 4.25Å; A161-I275 HydrophobicContact CB-CD1 4.08Å; A161-I275 HydrophobicContact CB-CG1 4.2Å; A161-H276 CarbonylContact C-O 3.06Å; A161-H276 WeakPolarHBondContact CA-O 3.28Å; A161-H276 WeakPolarHBondContact CB-O 3.28Å; A161-A277 HydrophobicContact CB-CB 4.27Å
162	V	94.9	Very high	90	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106.8	179.6	-178.8	0	0	0	0	108.3	L160 F195 F203 M220 I227 I275 H276	L160-V162 HydrophobicContact CD2-CG2 3.59Å; V162-F195 HydrophobicContact CG1-CE2 4.17Å; V162-F195 HydrophobicContact CG1-CZ 4.37Å; V162-F203 HydrophobicContact CG2-CE1 4.15Å; V162-F203 HydrophobicContact CG2-CZ 3.87Å; V162-M220 HydrophobicContact CG1-CE 3.87Å; V162-I227 HydrophobicContact CB-CD1 4.32Å; V162-I227 HydrophobicContact CG1-CD1 3.9Å; V162-I227 HydrophobicContact CG2-CD1 3.78Å; V162-I275 WeakPolarHBondContact O-CA 3.23Å; V162-H276 HydrophobicContact CB-CB 4.24Å; V162-H276 PolarHBondContact N-O 2.69Å; V162-H276 PolarHBondContact O-N 3.05Å
163	L	94.9	Very high	90.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.2	168.2	-63.3	166.8	0	0	0	108.1	V167 V168 A173 I176 I177 S225 K226 I228 I275	L163-V167 HydrophobicContact CB-CG2 4.1Å; L163-V168 HydrophobicContact CB-CG2 4.36Å; L163-A173 HydrophobicContact CB-CB 4.47Å; L163-A173 HydrophobicContact CD1-CB 4.03Å; L163-I176 HydrophobicContact CD2-CB 3.95Å; L163-I176 HydrophobicContact CD2-CD1 3.99Å; L163-I176 HydrophobicContact CD2-CG2 3.58Å; L163-I177 HydrophobicContact CD1-CD1 3.86Å; L163-I177 HydrophobicContact CD1-CG1 3.79Å; L163-S225 CarbonylContact O-C 3.1Å; L163-S225 VanDerWaalsContact O-CA 3.28Å; L163-S225 WeakPolarHBondContact O-CA 3.19Å; L163-S225 WeakPolarHBondContact O-CB 3.47Å; L163-K226 HydrophobicContact CB-CB 4.14Å; L163-K226 WeakPolarHBondContact CB-O 3.42Å; L163-K226 HydrophobicContact CD1-CB 4.29Å; L163-K226 HydrophobicContact CD1-CG 4.47Å; L163-K226 PolarHBondContact N-O 3.14Å; L163-K226 PolarHBondContact O-N 2.75Å; L163-I228 HydrophobicContact CD1-CD1 4.2Å; L163-I228 HydrophobicContact CG-CD1 4.47Å; L163-I275 HydrophobicContact CD2-CB 4.18Å; L163-I275 HydrophobicContact CD2-CD1 3.85Å; L163-I275 HydrophobicContact CD2-CG1 4.04Å
164	K	93.4	Very high	91.3	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.03	18%	0.177	C	C	.	.			trans	-80.4	161.7	-165.8	-74.7	179.1	155.4	-174.5	0	113.2	D166 V167 V168 F219 M220 I271 N273 A274	K164-D166 WeakPolarHBondContact CB-OD1 3.23Å; K164-D166 PolarHBondContact O-N 3.13Å; K164-D166 VanDerWaalsContact O-N 3.09Å; K164-V167 WeakPolarHBondContact O-CG2 3.34Å; K164-V167 PolarHBondContact O-N 3.03Å; K164-V167 VanDerWaalsContact O-N 3.08Å; K164-V168 WeakPolarHBondContact O-CG2 3.21Å; K164-V168 PolarHBondContact O-N 3.46Å; K164-F219 HydrophobicContact CB-CE1 4.03Å; K164-F219 HydrophobicContact CB-CZ 4.36Å; K164-F219 HydrophobicContact CD-CE1 4.17Å; K164-F219 HydrophobicContact CG-CE1 4.43Å; K164-M220 HydrophobicContact CD-SD 4.25Å; K164-M220 HydrophobicContact CG-CE 4.41Å; K164-M220 HydrophobicContact CG-SD 3.89Å; K164-I271 PolarHBondContact NZ-O 3.01Å; K164-N273 WeakPolarHBondContact CD-OD1 3.29Å; K164-N273 WeakPolarHBondContact CE-OD1 3.23Å; K164-N273 PolarHBondContact NZ-OD1 2.82Å; K164-A274 WeakPolarHBondContact CB-O 3.39Å; K164-A274 PolarHBondContact N-O 3.46Å
165	P	93.4	Very high	91.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-27	-172.7	-28.1	37	0	0	0	115.2	Q169 F219 G223 P224 S225	P165-Q169 WeakPolarHBondContact O-CB 3.45Å; P165-Q169 WeakPolarHBondContact O-CG 3.19Å; P165-Q169 PolarHBondContact O-N 2.83Å; P165-F219 HydrophobicContact CB-CZ 4.49Å; P165-G223 WeakPolarHBondContact CG-O 3.46Å; P165-P224 WeakPolarHBondContact CA-O 3.49Å; P165-S225 WeakPolarHBondContact CD-OG 3.5Å; P165-S225 WeakPolarHBondContact CG-OG 3.34Å
166	D	92.2	Very high	92.3	Very high	26 Å²	26	28.5 Å²	28.5	14%	0.139	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-47.2	174.1	55.2	-19.5	0	0	0	112.8	K164 S170 F219 Q272	K164-D166 WeakPolarHBondContact CB-OD1 3.23Å; K164-D166 PolarHBondContact O-N 3.13Å; K164-D166 VanDerWaalsContact O-N 3.09Å; D166-S170 WeakPolarHBondContact O-CB 3.25Å; D166-S170 PolarHBondContact O-N 2.99Å; D166-S170 PolarHBondContact O-OG 3.11Å; D166-F219 HydrophobicContact CB-CE2 4.25Å; D166-F219 HydrophobicContact CB-CZ 3.87Å; D166-Q272 WeakPolarHBondContact OD2-CB 3.08Å
167	V	92.7	Very high	92.6	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-77.5	-27	178.4	-66.6	0	0	0	0	113.2	L163 K164 S170 G171 V172 A173 I176 A274	L163-V167 HydrophobicContact CB-CG2 4.1Å; K164-V167 WeakPolarHBondContact O-CG2 3.34Å; K164-V167 PolarHBondContact O-N 3.03Å; K164-V167 VanDerWaalsContact O-N 3.08Å; V167-S170 WeakPolarHBondContact CA-OG 3.45Å; V167-S170 PolarHBondContact O-OG 3.04Å; V167-G171 PolarHBondContact O-N 2.87Å; V167-V172 HydrophobicContact CB-CB 4.05Å; V167-V172 HydrophobicContact CB-CG1 4.16Å; V167-V172 HydrophobicContact CG1-CB 4.22Å; V167-V172 HydrophobicContact CG1-CG1 3.95Å; V167-V172 PolarHBondContact O-N 3.4Å; V167-A173 PolarHBondContact O-N 2.89Å; V167-I176 HydrophobicContact CB-CD1 4.14Å; V167-I176 HydrophobicContact CG1-CD1 4Å; V167-I176 HydrophobicContact CG2-CD1 4.24Å; V167-A274 HydrophobicContact CG1-CB 3.64Å; V167-A274 VanDerWaalsContact CG2-O 3.27Å; V167-A274 WeakPolarHBondContact CG2-O 3.41Å
168	V	92.7	Very high	92.9	Very high	21 Å²	21	29 Å²	29	13%	0.127	17%	0.167	C	C	.	.	H	α-helix	trans	-70.9	-52.8	172.2	178	0	0	0	0	110.8	L163 K164 S170 G171 A173 P224 K226	L163-V168 HydrophobicContact CB-CG2 4.36Å; K164-V168 WeakPolarHBondContact O-CG2 3.21Å; K164-V168 PolarHBondContact O-N 3.46Å; V168-S170 PolarHBondContact O-N 3.06Å; V168-G171 PolarHBondContact O-N 3.36Å; V168-A173 HydrophobicContact CG2-CB 4.07Å; V168-P224 WeakPolarHBondContact CB-O 3.19Å; V168-P224 HydrophobicContact CG1-CB 4.45Å; V168-P224 HydrophobicContact CG1-CG 4.09Å; V168-K226 HydrophobicContact CG2-CB 3.82Å
169	Q	91	Very high	93	Very high	128 Å²	128	29.1 Å²	29.1	60%	0.598	17%	0.167	S	C	*	.	H	α-helix	trans	-64.4	-25	-178.9	-71.3	176.9	2.6	0	0	113.8	P165	P165-Q169 WeakPolarHBondContact O-CB 3.45Å; P165-Q169 WeakPolarHBondContact O-CG 3.19Å; P165-Q169 PolarHBondContact O-N 2.83Å
170	S	90.5	Very high	93	Very high	76 Å²	76	29.1 Å²	29.1	53%	0.531	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.7	175	57.3	0	0	0	0	114.4	D166 V167 V168 V172	D166-S170 WeakPolarHBondContact O-CB 3.25Å; D166-S170 PolarHBondContact O-N 2.99Å; D166-S170 PolarHBondContact O-OG 3.11Å; V167-S170 WeakPolarHBondContact CA-OG 3.45Å; V167-S170 PolarHBondContact O-OG 3.04Å; V168-S170 PolarHBondContact O-N 3.06Å; S170-V172 PolarHBondContact O-N 2.86Å; S170-V172 WeakPolarHBondContact OG-CG2 3.41Å
171	G	89.8	Confident	93	Very high	43 Å²	43	33 Å²	33	44%	0.443	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	10.6	-176.5	0	0	0	0	0	114.6	V167 V168 A173	V167-G171 PolarHBondContact O-N 2.87Å; V168-G171 PolarHBondContact O-N 3.36Å; G171-A173 VanDerWaalsContact C-N 3.33Å
172	V	92	Very high	92.9	Very high	27 Å²	27	38.6 Å²	38.6	16%	0.164	21%	0.212	C	C	.	.			trans	-75.2	-23.5	177.2	171.9	0	0	0	0	111.7	V167 S170 E174 Q175 I176 Y266	V167-V172 HydrophobicContact CB-CB 4.05Å; V167-V172 HydrophobicContact CB-CG1 4.16Å; V167-V172 HydrophobicContact CG1-CB 4.22Å; V167-V172 HydrophobicContact CG1-CG1 3.95Å; V167-V172 PolarHBondContact O-N 3.4Å; S170-V172 PolarHBondContact O-N 2.86Å; S170-V172 WeakPolarHBondContact OG-CG2 3.41Å; V172-E174 VanDerWaalsContact C-N 3.3Å; V172-E174 PolarHBondContact O-N 3.33Å; V172-Q175 WeakPolarHBondContact O-CA 3.44Å; V172-Q175 WeakPolarHBondContact O-CB 3.27Å; V172-Q175 PolarHBondContact O-N 3.2Å; V172-I176 HydrophobicContact CG1-CD1 3.96Å; V172-I176 HydrophobicContact CG1-CG1 4.13Å; V172-I176 PolarHBondContact O-N 3.39Å; V172-I176 VanDerWaalsContact O-N 3.08Å; V172-Y266 HydrophobicContact CG1-CD1 3.33Å; V172-Y266 HydrophobicContact CG1-CE1 3.75Å; V172-Y266 HydrophobicContact CG1-CG 3.88Å
173	A	93	Very high	92.6	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-49.6	-44.5	178.5	0	0	0	0	0	113.6	L163 V167 V168 G171 Q175 I176 I177	L163-A173 HydrophobicContact CB-CB 4.47Å; L163-A173 HydrophobicContact CD1-CB 4.03Å; V167-A173 PolarHBondContact O-N 2.89Å; V168-A173 HydrophobicContact CG2-CB 4.07Å; G171-A173 VanDerWaalsContact C-N 3.33Å; A173-Q175 VanDerWaalsContact C-N 3.32Å; A173-Q175 PolarHBondContact O-N 3.37Å; A173-I176 PolarHBondContact O-N 3.21Å; A173-I177 WeakPolarHBondContact O-CG1 3.46Å; A173-I177 PolarHBondContact O-N 3.44Å
174	E	93.3	Very high	92.3	Very high	104 Å²	104	42.8 Å²	42.8	49%	0.486	24%	0.235	S	C	.	.	H	α-helix	trans	-70.2	-27.8	179.3	-50	-47.5	110.1	0	0	112.9	V172 I177 G178 K226	V172-E174 VanDerWaalsContact C-N 3.3Å; V172-E174 PolarHBondContact O-N 3.33Å; E174-I177 PolarHBondContact O-N 2.86Å; E174-G178 PolarHBondContact O-N 3.15Å; E174-K226 IonicContact OE1-NZ 2.81Å; E174-K226 PolarHBondContact OE1-NZ 3.48Å; E174-K226 IonicContact OE2-NZ 3.49Å; E174-K226 PolarHBondContact OE2-NZ 2.85Å
175	Q	93.3	Very high	92.3	Very high	111 Å²	111	42.7 Å²	42.7	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-71.5	-37.6	175	-56.2	175.3	27.4	0	0	110.6	V172 A173 G178 E179	V172-Q175 WeakPolarHBondContact O-CA 3.44Å; V172-Q175 WeakPolarHBondContact O-CB 3.27Å; V172-Q175 PolarHBondContact O-N 3.2Å; A173-Q175 VanDerWaalsContact C-N 3.32Å; A173-Q175 PolarHBondContact O-N 3.37Å; Q175-G178 PolarHBondContact O-N 3.24Å; Q175-E179 PolarHBondContact O-N 3.3Å
176	I	93.5	Very high	92.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-41.2	174.1	-62.6	171.5	0	0	0	110.5	L163 V167 V172 A173 E179 L180 I262 Y266 A274 I275	L163-I176 HydrophobicContact CD2-CB 3.95Å; L163-I176 HydrophobicContact CD2-CD1 3.99Å; L163-I176 HydrophobicContact CD2-CG2 3.58Å; V167-I176 HydrophobicContact CB-CD1 4.14Å; V167-I176 HydrophobicContact CG1-CD1 4Å; V167-I176 HydrophobicContact CG2-CD1 4.24Å; V172-I176 HydrophobicContact CG1-CD1 3.96Å; V172-I176 HydrophobicContact CG1-CG1 4.13Å; V172-I176 PolarHBondContact O-N 3.39Å; V172-I176 VanDerWaalsContact O-N 3.08Å; A173-I176 PolarHBondContact O-N 3.21Å; I176-E179 PolarHBondContact O-N 2.6Å; I176-L180 HydrophobicContact CG2-CD1 4.12Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.35Å; I176-L180 PolarHBondContact O-N 2.89Å; I176-I262 HydrophobicContact CB-CG2 4.46Å; I176-I262 HydrophobicContact CD1-CG2 4.17Å; I176-I262 HydrophobicContact CG1-CG2 4.05Å; I176-I262 HydrophobicContact CG2-CD1 4.35Å; I176-I262 HydrophobicContact CG2-CG2 3.63Å; I176-Y266 HydrophobicContact CD1-CD2 3.94Å; I176-Y266 HydrophobicContact CD1-CG 4.08Å; I176-Y266 HydrophobicContact CG1-CD2 3.66Å; I176-Y266 HydrophobicContact CG1-CE2 3.78Å; I176-Y266 HydrophobicContact CG1-CG 4.14Å; I176-A274 HydrophobicContact CD1-CB 4.15Å; I176-I275 HydrophobicContact CG2-CD1 4.2Å
177	I	94.8	Very high	92.3	Very high	17 Å²	17	46 Å²	46	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-48.1	174.2	-70	166.8	0	0	0	110.5	L163 A173 E174 E179 L180 E181 I187 K226 I228	L163-I177 HydrophobicContact CD1-CD1 3.86Å; L163-I177 HydrophobicContact CD1-CG1 3.79Å; A173-I177 WeakPolarHBondContact O-CG1 3.46Å; A173-I177 PolarHBondContact O-N 3.44Å; E174-I177 PolarHBondContact O-N 2.86Å; I177-E179 PolarHBondContact O-N 3.35Å; I177-L180 WeakPolarHBondContact O-CB 2.95Å; I177-L180 PolarHBondContact O-N 2.94Å; I177-L180 VanDerWaalsContact O-N 3.1Å; I177-E181 HydrophobicContact CG2-CG 4.44Å; I177-E181 PolarHBondContact O-N 2.77Å; I177-I187 HydrophobicContact CG2-CG1 4.28Å; I177-K226 HydrophobicContact CD1-CD 4.01Å; I177-I228 HydrophobicContact CD1-CG2 4.25Å; I177-I228 HydrophobicContact CG1-CD1 4.35Å
178	G	93.6	Very high	92.3	Very high	24 Å²	24	48.1 Å²	48.1	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-43.4	175.6	0	0	0	0	0	113.3	E174 Q175 L180 E181 E182	E174-G178 PolarHBondContact O-N 3.15Å; Q175-G178 PolarHBondContact O-N 3.24Å; G178-L180 VanDerWaalsContact C-N 3.28Å; G178-L180 PolarHBondContact O-N 3.16Å; G178-E181 PolarHBondContact O-N 2.97Å; G178-E182 WeakPolarHBondContact O-CB 3.43Å; G178-E182 WeakPolarHBondContact O-CG 3.35Å; G178-E182 PolarHBondContact O-N 3.37Å
179	E	93.1	Very high	92.2	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.093	28%	0.275	C	S	.	.	H	α-helix	trans	-66.4	-28.1	176.8	-170.9	177.6	150.9	0	0	112.9	Q175 I176 I177 K183 K265	Q175-E179 PolarHBondContact O-N 3.3Å; I176-E179 PolarHBondContact O-N 2.6Å; I177-E179 PolarHBondContact O-N 3.35Å; E179-K183 HydrophobicContact CG-CD 4.22Å; E179-K183 WeakPolarHBondContact O-CB 3.38Å; E179-K183 WeakPolarHBondContact O-CD 3.39Å; E179-K183 VanDerWaalsContact O-CG 3.25Å; E179-K183 WeakPolarHBondContact O-CG 3.37Å; E179-K183 PolarHBondContact O-N 2.69Å; E179-K183 IonicContact OE1-NZ 3.57Å; E179-K183 PolarHBondContact OE1-NZ 3.5Å; E179-K265 IonicContact OE1-NZ 3.43Å; E179-K265 PolarHBondContact OE1-NZ 3.27Å; E179-K265 IonicContact OE2-NZ 2.75Å; E179-K265 PolarHBondContact OE2-NZ 3.34Å
180	L	93	Very high	92.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-73.9	-44.8	173.2	-68.2	167.2	0	0	0	111.5	I176 I177 G178 K183 G184 I185 I228 L242 I262 I275	I176-L180 HydrophobicContact CG2-CD1 4.12Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.35Å; I176-L180 PolarHBondContact O-N 2.89Å; I177-L180 WeakPolarHBondContact O-CB 2.95Å; I177-L180 PolarHBondContact O-N 2.94Å; I177-L180 VanDerWaalsContact O-N 3.1Å; G178-L180 VanDerWaalsContact C-N 3.28Å; G178-L180 PolarHBondContact O-N 3.16Å; L180-K183 CarbonylContact O-C 3.53Å; L180-K183 PolarHBondContact O-N 2.75Å; L180-G184 PolarHBondContact O-N 2.98Å; L180-I185 HydrophobicContact CB-CB 4.29Å; L180-I185 HydrophobicContact CD2-CD1 3.9Å; L180-I185 WeakPolarHBondContact O-CB 3.4Å; L180-I185 PolarHBondContact O-N 2.97Å; L180-I228 HydrophobicContact CD1-CD1 4.02Å; L180-L242 HydrophobicContact CD2-CD1 3.52Å; L180-I262 HydrophobicContact CD2-CD1 3.58Å; L180-I262 HydrophobicContact CG-CD1 4.01Å; L180-I275 HydrophobicContact CD1-CD1 4.2Å
181	E	93.4	Very high	92.5	Very high	82 Å²	82	47.8 Å²	47.8	38%	0.383	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-43.3	177.1	-69.2	-173.9	135.6	0	0	112.1	I177 G178 K183 G184 I185 I187 G595	I177-E181 HydrophobicContact CG2-CG 4.44Å; I177-E181 PolarHBondContact O-N 2.77Å; G178-E181 PolarHBondContact O-N 2.97Å; E181-K183 PolarHBondContact O-N 2.94Å; E181-G184 PolarHBondContact O-N 3.08Å; E181-I185 WeakPolarHBondContact CA-O 3.45Å; E181-I187 HydrophobicContact CG-CG1 4.22Å; E181-G595 CarbonylContact O-C 3.59Å; E181-G595 VanDerWaalsContact O-O 3.12Å
182	E	91.6	Very high	92.7	Very high	117 Å²	117	52 Å²	52	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-57.8	-32.7	173.7	-76.5	-177.8	166.6	0	0	112.2	G178 G184	G178-E182 WeakPolarHBondContact O-CB 3.43Å; G178-E182 WeakPolarHBondContact O-CG 3.35Å; G178-E182 PolarHBondContact O-N 3.37Å; E182-G184 VanDerWaalsContact C-N 3.3Å; E182-G184 PolarHBondContact O-N 3.44Å
183	K	89.3	Confident	92.8	Very high	70 Å²	70	52.6 Å²	52.6	30%	0.304	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	20.9	176.8	-63.7	173.9	176.8	179.4	0	113.5	E179 L180 E181 I185 L245	E179-K183 HydrophobicContact CG-CD 4.22Å; E179-K183 WeakPolarHBondContact O-CB 3.38Å; E179-K183 WeakPolarHBondContact O-CD 3.39Å; E179-K183 VanDerWaalsContact O-CG 3.25Å; E179-K183 WeakPolarHBondContact O-CG 3.37Å; E179-K183 PolarHBondContact O-N 2.69Å; E179-K183 IonicContact OE1-NZ 3.57Å; E179-K183 PolarHBondContact OE1-NZ 3.5Å; L180-K183 CarbonylContact O-C 3.53Å; L180-K183 PolarHBondContact O-N 2.75Å; E181-K183 PolarHBondContact O-N 2.94Å; K183-I185 PolarHBondContact O-N 3.16Å; K183-L245 HydrophobicContact CB-CD1 3.59Å; K183-L245 HydrophobicContact CD-CD1 3.81Å; K183-L245 HydrophobicContact CD-CD2 3.84Å; K183-L245 HydrophobicContact CD-CG 4.33Å; K183-L245 HydrophobicContact CG-CD1 4.35Å
184	G	89.2	Confident	92.9	Very high	19 Å²	19	57.5 Å²	57.5	20%	0.196	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	8.9	168.8	0	0	0	0	0	116.2	L180 E181 E182 K233	L180-G184 PolarHBondContact O-N 2.98Å; E181-G184 PolarHBondContact O-N 3.08Å; E182-G184 VanDerWaalsContact C-N 3.3Å; E182-G184 PolarHBondContact O-N 3.44Å; G184-K233 PolarHBondContact O-N 2.75Å
185	I	92.4	Very high	92.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.2	174.3	-64.5	-178.1	0	0	0	109.6	L180 E181 K183 I187 C230 L232 I238 L242 L245	L180-I185 HydrophobicContact CB-CB 4.29Å; L180-I185 HydrophobicContact CD2-CD1 3.9Å; L180-I185 WeakPolarHBondContact O-CB 3.4Å; L180-I185 PolarHBondContact O-N 2.97Å; E181-I185 WeakPolarHBondContact CA-O 3.45Å; K183-I185 PolarHBondContact O-N 3.16Å; I185-I187 HydrophobicContact CG2-CD1 4.16Å; I185-C230 HydrophobicContact CG2-CB 3.79Å; I185-L232 HydrophobicContact CG1-CD1 4.31Å; I185-I238 HydrophobicContact CB-CD1 4.25Å; I185-I238 HydrophobicContact CD1-CD1 3.67Å; I185-I238 HydrophobicContact CG1-CD1 3.58Å; I185-I238 HydrophobicContact CG2-CD1 3.88Å; I185-L242 HydrophobicContact CD1-CB 4.04Å; I185-L242 HydrophobicContact CD1-CD1 3.88Å; I185-L245 HydrophobicContact CD1-CD1 3.79Å; I185-L245 HydrophobicContact CG1-CD1 4.45Å
186	E	92.4	Very high	92.9	Very high	59 Å²	59	50.9 Å²	50.9	28%	0.276	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.4	-178.6	-171.5	156.8	-126	0	0	109.6	L188 A231 K233	E186-L188 HydrophobicContact CG-CD2 4.04Å; E186-L188 PolarHBondContact O-N 3.06Å; E186-A231 PolarHBondContact N-O 3.41Å; E186-A231 PolarHBondContact O-N 3.12Å; E186-K233 HydrophobicContact CB-CB 4.41Å; E186-K233 IonicContact OE1-NZ 3.52Å; E186-K233 PolarHBondContact OE1-NZ 2.97Å
187	I	93.8	Very high	92.8	Very high	37 Å²	37	53.5 Å²	53.5	19%	0.19	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	106.8	176.8	-52.4	-54.1	0	0	0	108.5	I177 E181 I185 I228 V229	I177-I187 HydrophobicContact CG2-CG1 4.28Å; E181-I187 HydrophobicContact CG-CG1 4.22Å; I185-I187 HydrophobicContact CG2-CD1 4.16Å; I187-I228 HydrophobicContact CD1-CD1 4.07Å; I187-I228 HydrophobicContact CG2-CB 4.19Å; I187-I228 HydrophobicContact CG2-CG2 4.36Å; I187-V229 WeakPolarHBondContact CA-O 3.39Å
188	L	91.5	Very high	92.7	Very high	49 Å²	49	60.2 Å²	60.2	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-35.3	-177	-61.7	-177.9	0	0	0	112.7	L158 E186 V229 A231 Y295 P298	L158-L188 HydrophobicContact CD1-CD1 4.47Å; L158-L188 HydrophobicContact CD2-CD1 3.48Å; L158-L188 VanDerWaalsContact CD2-CD1 3.48Å; E186-L188 HydrophobicContact CG-CD2 4.04Å; E186-L188 PolarHBondContact O-N 3.06Å; L188-V229 HydrophobicContact CB-CG1 4.46Å; L188-V229 PolarHBondContact N-O 2.77Å; L188-A231 HydrophobicContact CD1-CB 3.89Å; L188-A231 HydrophobicContact CG-CB 4.09Å; L188-Y295 WeakPolarHBondContact CB-OH 3.45Å; L188-P298 HydrophobicContact CD1-CG 3.92Å
189	E	92.3	Very high	92.6	Very high	87 Å²	87	61.8 Å²	61.8	41%	0.407	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.6	179.4	-79.6	-65.2	173.9	0	0	110.4	I228 V229 Y292 Y295	E189-I228 WeakPolarHBondContact O-CA 3.35Å; E189-V229 HydrophobicContact CB-CB 4.02Å; E189-V229 HydrophobicContact CB-CG2 3.85Å; E189-V229 PolarHBondContact O-N 3.33Å; E189-Y292 HydrophobicContact CB-CE1 3.89Å; E189-Y292 HydrophobicContact CG-CE1 4.12Å; E189-Y295 HydrophobicContact CG-CD2 4.5Å; E189-Y295 HydrophobicContact CG-CE2 3.55Å
190	S	93.7	Very high	92.5	Very high	60 Å²	60	60.8 Å²	60.8	42%	0.42	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	144.1	169.8	70.6	0	0	0	0	112.8	I227	S190-I227 CarbonylContact C-O 3.51Å; S190-I227 VanDerWaalsContact CA-O 3.27Å; S190-I227 WeakPolarHBondContact CA-O 3.29Å
191	Q	93.5	Very high	92.4	Very high	70 Å²	70	63.9 Å²	63.9	33%	0.327	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.6	172.8	64.8	-174.4	-29.1	0	0	111.5	I227 F291 Y292	Q191-I227 HydrophobicContact CG-CB 3.95Å; Q191-I227 HydrophobicContact CG-CG1 4.25Å; Q191-I227 PolarHBondContact N-O 2.89Å; Q191-I227 PolarHBondContact O-N 3.32Å; Q191-F291 PolarHBondContact NE2-O 2.79Å; Q191-Y292 WeakPolarHBondContact CG-OH 3.43Å; Q191-Y292 VanDerWaalsContact NE2-CZ 3.31Å
192	E	94.5	Very high	92.2	Very high	131 Å²	131	64.9 Å²	64.9	61%	0.612	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.7	164.7	-73.8	-179.5	-149.9	0	0	109.5	S225 K226	E192-S225 CarbonylContact C-O 3.6Å; E192-S225 WeakPolarHBondContact CA-O 3.49Å; E192-K226 HydrophobicContact CG-CB 4.45Å; E192-K226 HydrophobicContact CG-CG 4.48Å
193	H	93.9	Very high	92	Very high	40 Å²	40	60.3 Å²	60.3	19%	0.185	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.8	177.7	-171.4	74	0	0	0	110.9	E199 S225 I227 F291	H193-E199 IonicContact CD2-OE2 3.96Å; H193-E199 IonicContact CE1-OE2 3.54Å; H193-E199 IonicContact NE2-OE1 2.69Å; H193-E199 IonicContact NE2-OE2 3.99Å; H193-E199 PolarHBondContact NE2-OE2 2.98Å; H193-S225 PolarHBondContact N-O 2.63Å; H193-S225 PolarHBondContact O-N 2.82Å; H193-I227 HydrophobicContact CB-CD1 4.23Å; H193-I227 HydrophobicContact CB-CG1 3.74Å; H193-F291 HydrophobicContact CB-CE1 4.23Å; H193-F291 AromaticContact CD2-CE1 3.72Å; H193-F291 AromaticContact CG-CE1 3.77Å
194	L	95.1	Very high	91.9	Very high	107 Å²	107	57.5 Å²	57.5	56%	0.56	30%	0.301	S	S	*	.			trans	-101.4	102.1	171.7	179.3	65.3	0	0	0	108.5	T196 G223	L194-T196 PolarHBondContact O-N 2.89Å; L194-G223 VanDerWaalsContact CD1-C 3.44Å; L194-G223 WeakPolarHBondContact CD1-O 3.37Å
195	F	92.8	Very high	91.8	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.031	32%	0.317	C	S	.	.			trans	-58.3	134.7	-179.7	-75.1	-93	0	0	0	111.9	V162 E199 A200 F203 M220 T221 I227 F291	V162-F195 HydrophobicContact CG1-CE2 4.17Å; V162-F195 HydrophobicContact CG1-CZ 4.37Å; F195-E199 WeakPolarHBondContact CA-OE2 3.4Å; F195-E199 HydrophobicContact CD1-CB 4.14Å; F195-A200 HydrophobicContact CB-CB 4.23Å; F195-A200 HydrophobicContact CD1-CB 4.11Å; F195-A200 HydrophobicContact CG-CB 4.43Å; F195-F203 HydrophobicContact CE1-CB 4.12Å; F195-F203 HydrophobicContact CE1-CD1 4.4Å; F195-F203 HydrophobicContact CE1-CG 4.16Å; F195-M220 HydrophobicContact CD2-CB 4.48Å; F195-M220 HydrophobicContact CD2-CE 3.85Å; F195-M220 HydrophobicContact CE2-CE 3.41Å; F195-M220 VanDerWaalsContact CE2-CE 3.41Å; F195-M220 HydrophobicContact CZ-CE 4.07Å; F195-T221 HydrophobicContact CB-CG2 4.32Å; F195-I227 HydrophobicContact CE2-CD1 4.4Å; F195-I227 HydrophobicContact CZ-CD1 4.41Å; F195-F291 AromaticContact CE1-CZ 3.75Å; F195-F291 HydrophobicContact CE1-CZ 3.75Å; F195-F291 HydrophobicContact CZ-CE2 4.41Å; F195-F291 AromaticContact CZ-CZ 3.65Å; F195-F291 HydrophobicContact CZ-CZ 3.65Å
196	T	93.4	Very high	91.2	Very high	68 Å²	68	66.9 Å²	66.9	42%	0.417	34%	0.343	S	S	.	.			trans	-76.8	162.3	155.3	71.6	0	0	0	0	110.5	L194 E198 E199 A200	L194-T196 PolarHBondContact O-N 2.89Å; T196-E198 VanDerWaalsContact C-N 3.28Å; T196-E198 PolarHBondContact O-N 3.29Å; T196-E199 PolarHBondContact N-OE2 3.46Å; T196-E199 PolarHBondContact O-N 3.48Å; T196-E199 WeakPolarHBondContact OG1-CB 3.15Å; T196-E199 VanDerWaalsContact OG1-CG 3.24Å; T196-E199 WeakPolarHBondContact OG1-CG 3.17Å; T196-E199 PolarHBondContact OG1-N 3.3Å; T196-E199 VanDerWaalsContact OG1-N 3.12Å; T196-A200 WeakPolarHBondContact O-CB 3.32Å; T196-A200 PolarHBondContact O-N 3.37Å
197	A	91.7	Very high	90.7	Very high	56 Å²	56	66 Å²	66	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-37.5	175.8	0	0	0	0	0	112.1	A200 E201 V217 T221	A197-A200 PolarHBondContact O-N 3.11Å; A197-E201 WeakPolarHBondContact O-CB 3.46Å; A197-E201 WeakPolarHBondContact O-CG 3.45Å; A197-E201 PolarHBondContact O-N 3.03Å; A197-V217 HydrophobicContact CB-CG1 4.43Å; A197-T221 HydrophobicContact CB-CG2 4.31Å
198	E	91.6	Very high	90.2	Very high	157 Å²	157	68.6 Å²	68.6	73%	0.734	35%	0.352	S	S	*	.	H	α-helix	trans	-66.3	-44.1	177.1	-62.6	179.6	-171.5	0	0	111.2	T196 E201 I202	T196-E198 VanDerWaalsContact C-N 3.28Å; T196-E198 PolarHBondContact O-N 3.29Å; E198-E201 PolarHBondContact O-N 2.97Å; E198-I202 WeakPolarHBondContact O-CD1 3.48Å; E198-I202 VanDerWaalsContact O-CG1 3.24Å; E198-I202 WeakPolarHBondContact O-CG1 3.2Å; E198-I202 PolarHBondContact O-N 3.43Å
199	E	91.8	Very high	89.7	Confident	57 Å²	57	74.1 Å²	74.1	27%	0.266	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-44.1	174.2	-73.7	164	-176.2	0	0	112.5	H193 F195 T196 I202 F203 F290	H193-E199 IonicContact CD2-OE2 3.96Å; H193-E199 IonicContact CE1-OE2 3.54Å; H193-E199 IonicContact NE2-OE1 2.69Å; H193-E199 IonicContact NE2-OE2 3.99Å; H193-E199 PolarHBondContact NE2-OE2 2.98Å; F195-E199 WeakPolarHBondContact CA-OE2 3.4Å; F195-E199 HydrophobicContact CD1-CB 4.14Å; T196-E199 PolarHBondContact N-OE2 3.46Å; T196-E199 PolarHBondContact O-N 3.48Å; T196-E199 WeakPolarHBondContact OG1-CB 3.15Å; T196-E199 VanDerWaalsContact OG1-CG 3.24Å; T196-E199 WeakPolarHBondContact OG1-CG 3.17Å; T196-E199 PolarHBondContact OG1-N 3.3Å; T196-E199 VanDerWaalsContact OG1-N 3.12Å; E199-I202 PolarHBondContact O-N 2.99Å; E199-F203 WeakPolarHBondContact O-CB 3.24Å; E199-F203 PolarHBondContact O-N 3.01Å; E199-F290 HydrophobicContact CB-CZ 4.06Å; E199-F290 HydrophobicContact CG-CZ 4.17Å
200	A	90.9	Very high	89.2	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-66.5	-37.8	178.8	0	0	0	0	0	112.1	F195 T196 A197 Y204 V217 M220 T221	F195-A200 HydrophobicContact CB-CB 4.23Å; F195-A200 HydrophobicContact CD1-CB 4.11Å; F195-A200 HydrophobicContact CG-CB 4.43Å; T196-A200 WeakPolarHBondContact O-CB 3.32Å; T196-A200 PolarHBondContact O-N 3.37Å; A197-A200 PolarHBondContact O-N 3.11Å; A200-Y204 WeakPolarHBondContact O-CB 3.36Å; A200-Y204 PolarHBondContact O-N 2.88Å; A200-V217 HydrophobicContact CB-CG1 4.14Å; A200-V217 HydrophobicContact CB-CG2 4.41Å; A200-M220 HydrophobicContact CB-CB 4.42Å; A200-T221 HydrophobicContact CB-CG2 4.18Å
201	E	90.8	Very high	88.6	Confident	65 Å²	65	77.1 Å²	77.1	30%	0.304	40%	0.399	S	S	.	.	H	α-helix	trans	-68	-32	174.6	-77.7	-160.3	175.2	0	0	113.4	A197 E198 E205 F213 Q214 V217	A197-E201 WeakPolarHBondContact O-CB 3.46Å; A197-E201 WeakPolarHBondContact O-CG 3.45Å; A197-E201 PolarHBondContact O-N 3.03Å; E198-E201 PolarHBondContact O-N 2.97Å; E201-E205 PolarHBondContact O-N 3.08Å; E201-F213 HydrophobicContact CB-CZ 4.15Å; E201-F213 HydrophobicContact CG-CE1 4.06Å; E201-F213 HydrophobicContact CG-CZ 3.85Å; E201-Q214 PolarHBondContact OE1-NE2 3.03Å; E201-V217 HydrophobicContact CG-CG1 4.12Å; E201-V217 HydrophobicContact CG-CG2 3.86Å
202	I	89.3	Confident	88.1	Confident	103 Å²	103	77 Å²	77	53%	0.528	40%	0.397	S	S	.	.	H	α-helix	trans	-75	-49.4	175.3	-66.8	163.1	0	0	0	110.5	E198 E199 Y204 E205 F290	E198-I202 WeakPolarHBondContact O-CD1 3.48Å; E198-I202 VanDerWaalsContact O-CG1 3.24Å; E198-I202 WeakPolarHBondContact O-CG1 3.2Å; E198-I202 PolarHBondContact O-N 3.43Å; E199-I202 PolarHBondContact O-N 2.99Å; I202-Y204 VanDerWaalsContact C-N 3.34Å; I202-Y204 PolarHBondContact O-N 2.99Å; I202-E205 WeakPolarHBondContact O-CB 3.32Å; I202-E205 PolarHBondContact O-N 3.45Å; I202-F290 HydrophobicContact CB-CE2 4.28Å; I202-F290 HydrophobicContact CG2-CD2 4.37Å; I202-F290 HydrophobicContact CG2-CE2 3.73Å
203	F	88.5	Confident	87.8	Confident	21 Å²	21	71.3 Å²	71.3	9%	0.092	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-40.7	-177.5	-173.4	-91.1	0	0	0	112	L160 V162 F195 E199 H276 E287 F290 F291	L160-F203 HydrophobicContact CD2-CE2 4.31Å; L160-F203 HydrophobicContact CD2-CZ 4.13Å; V162-F203 HydrophobicContact CG2-CE1 4.15Å; V162-F203 HydrophobicContact CG2-CZ 3.87Å; F195-F203 HydrophobicContact CE1-CB 4.12Å; F195-F203 HydrophobicContact CE1-CD1 4.4Å; F195-F203 HydrophobicContact CE1-CG 4.16Å; E199-F203 WeakPolarHBondContact O-CB 3.24Å; E199-F203 PolarHBondContact O-N 3.01Å; F203-H276 AromaticContact CE1-CD2 3.65Å; F203-H276 AromaticContact CE1-NE2 3.79Å; F203-H276 AromaticContact CZ-CD2 3.91Å; F203-E287 HydrophobicContact CD2-CG 4.5Å; F203-E287 HydrophobicContact CE2-CB 3.83Å; F203-E287 HydrophobicContact CE2-CG 3.6Å; F203-E287 HydrophobicContact CZ-CB 4.25Å; F203-E287 HydrophobicContact CZ-CG 3.79Å; F203-F290 HydrophobicContact CB-CE1 4.5Å; F203-F290 HydrophobicContact CD2-CD1 4.06Å; F203-F290 HydrophobicContact CD2-CE1 4.32Å; F203-F290 HydrophobicContact CD2-CG 4.47Å; F203-F291 AromaticContact CD2-CE2 3.7Å; F203-F291 HydrophobicContact CD2-CE2 3.7Å; F203-F291 HydrophobicContact CD2-CZ 4.3Å; F203-F291 HydrophobicContact CE2-CD2 4.15Å; F203-F291 AromaticContact CE2-CE2 3.47Å; F203-F291 HydrophobicContact CE2-CE2 3.47Å; F203-F291 VanDerWaalsContact CE2-CE2 3.47Å; F203-F291 HydrophobicContact CE2-CZ 4.42Å; F203-F291 HydrophobicContact CZ-CE2 4.22Å
204	Y	87.2	Confident	87.5	Confident	11 Å²	11	75 Å²	75	4%	0.043	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	21	177.8	-68.1	-74.5	0	0	0	114	A200 I202 N206 V207 F213 L216 M220	A200-Y204 WeakPolarHBondContact O-CB 3.36Å; A200-Y204 PolarHBondContact O-N 2.88Å; I202-Y204 VanDerWaalsContact C-N 3.34Å; I202-Y204 PolarHBondContact O-N 2.99Å; Y204-N206 PolarHBondContact O-N 3.25Å; Y204-N206 VanDerWaalsContact O-N 3.1Å; Y204-V207 HydrophobicContact CD1-CG2 4.29Å; Y204-V207 WeakPolarHBondContact O-CG2 3.14Å; Y204-V207 PolarHBondContact O-N 3.4Å; Y204-F213 WeakPolarHBondContact O-CE2 3.43Å; Y204-L216 HydrophobicContact CD1-CD2 3.87Å; Y204-L216 HydrophobicContact CD2-CD2 4.46Å; Y204-L216 HydrophobicContact CE1-CD2 4.28Å; Y204-L216 HydrophobicContact CG-CD2 3.97Å; Y204-M220 HydrophobicContact CD2-CG 4.36Å; Y204-M220 HydrophobicContact CE2-CB 4.45Å; Y204-M220 HydrophobicContact CE2-CE 4.16Å; Y204-M220 HydrophobicContact CE2-CG 3.64Å; Y204-M220 HydrophobicContact CE2-SD 4.16Å
205	E	86	Confident	87.3	Confident	111 Å²	111	74.9 Å²	74.9	52%	0.519	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-55.7	-32.5	-179	-179.9	156.8	-114.1	0	0	112.9	E201 I202 V207 K208	E201-E205 PolarHBondContact O-N 3.08Å; I202-E205 WeakPolarHBondContact O-CB 3.32Å; I202-E205 PolarHBondContact O-N 3.45Å; E205-V207 PolarHBondContact O-N 2.67Å; E205-K208 HydrophobicContact CG-CD 4.18Å; E205-K208 WeakPolarHBondContact O-CB 3.32Å; E205-K208 PolarHBondContact O-N 3.47Å; E205-K208 VanDerWaalsContact O-N 3.07Å; E205-K208 IonicContact OE1-NZ 3.27Å; E205-K208 PolarHBondContact OE1-NZ 2.93Å
206	N	79.9	Confident	87.1	Confident	109 Å²	109	75 Å²	75	58%	0.583	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-61.4	-13.4	176.2	-76.5	-10.7	0	0	0	114.8	Y204 E283 R286	Y204-N206 PolarHBondContact O-N 3.25Å; Y204-N206 VanDerWaalsContact O-N 3.1Å; N206-E283 PolarHBondContact ND2-OE1 2.71Å; N206-R286 PolarHBondContact ND2-NH2 2.97Å; N206-R286 VanDerWaalsContact ND2-NH2 3.17Å
207	V	81.8	Confident	87	Confident	41 Å²	41	72.1 Å²	72.1	25%	0.248	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-120.1	17	175.6	-65.6	0	0	0	0	113.4	Y204 E205 D209 Q210 F213 L216	Y204-V207 HydrophobicContact CD1-CG2 4.29Å; Y204-V207 WeakPolarHBondContact O-CG2 3.14Å; Y204-V207 PolarHBondContact O-N 3.4Å; E205-V207 PolarHBondContact O-N 2.67Å; V207-D209 VanDerWaalsContact C-N 3.28Å; V207-D209 PolarHBondContact O-N 3.33Å; V207-Q210 HydrophobicContact CB-CG 3.97Å; V207-Q210 HydrophobicContact CG1-CG 4.46Å; V207-Q210 VanDerWaalsContact O-CB 3.24Å; V207-Q210 WeakPolarHBondContact O-CB 3.36Å; V207-Q210 WeakPolarHBondContact O-CG 3.27Å; V207-Q210 PolarHBondContact O-N 3.02Å; V207-F213 HydrophobicContact CG2-CD2 4.29Å; V207-L216 HydrophobicContact CG2-CD2 4.05Å
208	K	83.6	Confident	86.9	Confident	90 Å²	90	71.5 Å²	71.5	39%	0.391	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.3	-176.6	-168.1	162.5	-167.5	156.5	0	115.3	E205 Q210 F213	E205-K208 HydrophobicContact CG-CD 4.18Å; E205-K208 WeakPolarHBondContact O-CB 3.32Å; E205-K208 PolarHBondContact O-N 3.47Å; E205-K208 VanDerWaalsContact O-N 3.07Å; E205-K208 IonicContact OE1-NZ 3.27Å; E205-K208 PolarHBondContact OE1-NZ 2.93Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 2.93Å; K208-F213 HydrophobicContact CB-CE1 4.34Å; K208-F213 HydrophobicContact CB-CE2 4.27Å; K208-F213 HydrophobicContact CB-CZ 4.17Å; K208-F213 HydrophobicContact CD-CZ 4.45Å; K208-F213 HydrophobicContact CG-CD1 4.19Å; K208-F213 HydrophobicContact CG-CE1 3.78Å; K208-F213 HydrophobicContact CG-CZ 3.95Å
209	D	82.7	Confident	87	Confident	165 Å²	165	65.4 Å²	65.4	88%	0.882	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.1	177	-68.4	-38.9	0	0	0	113.8	V207	V207-D209 VanDerWaalsContact C-N 3.28Å; V207-D209 PolarHBondContact O-N 3.33Å
210	Q	81.1	Confident	87.1	Confident	89 Å²	89	62.7 Å²	62.7	42%	0.416	33%	0.328	S	S	.	.	S	Bend	trans	-78.8	141.7	-179.5	-63.6	-64.7	-23.6	0	0	111.6	V207 K208 Y212 F213	V207-Q210 HydrophobicContact CB-CG 3.97Å; V207-Q210 HydrophobicContact CG1-CG 4.46Å; V207-Q210 VanDerWaalsContact O-CB 3.24Å; V207-Q210 WeakPolarHBondContact O-CB 3.36Å; V207-Q210 WeakPolarHBondContact O-CG 3.27Å; V207-Q210 PolarHBondContact O-N 3.02Å; K208-Q210 VanDerWaalsContact C-N 3.29Å; K208-Q210 PolarHBondContact O-N 2.93Å; Q210-Y212 HydrophobicContact CB-CD1 4.05Å; Q210-Y212 HydrophobicContact CB-CD2 4.45Å; Q210-Y212 HydrophobicContact CB-CE1 3.67Å; Q210-Y212 HydrophobicContact CB-CE2 4.09Å; Q210-Y212 HydrophobicContact CB-CG 4.42Å; Q210-Y212 HydrophobicContact CG-CE1 4.05Å; Q210-Y212 PolarHBondContact O-N 2.82Å; Q210-Y212 VanDerWaalsContact O-N 3.08Å; Q210-F213 VanDerWaalsContact O-CB 3.23Å; Q210-F213 WeakPolarHBondContact O-CB 3.39Å; Q210-F213 PolarHBondContact O-N 3.47Å
211	P	81	Confident	87.2	Confident	121 Å²	121	64.9 Å²	64.9	79%	0.786	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20	-175.7	26.8	-35.4	0	0	0	113.7
212	Y	83.2	Confident	87.3	Confident	69 Å²	69	65 Å²	65	27%	0.271	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.8	176.9	60.6	-99.1	0	0	0	113.7	Q210 Q214 D215 L216 I271	Q210-Y212 HydrophobicContact CB-CD1 4.05Å; Q210-Y212 HydrophobicContact CB-CD2 4.45Å; Q210-Y212 HydrophobicContact CB-CE1 3.67Å; Q210-Y212 HydrophobicContact CB-CE2 4.09Å; Q210-Y212 HydrophobicContact CB-CG 4.42Å; Q210-Y212 HydrophobicContact CG-CE1 4.05Å; Q210-Y212 PolarHBondContact O-N 2.82Å; Q210-Y212 VanDerWaalsContact O-N 3.08Å; Y212-Q214 PolarHBondContact O-N 3.37Å; Y212-D215 PolarHBondContact O-N 3.47Å; Y212-L216 HydrophobicContact CD2-CB 4.42Å; Y212-L216 PolarHBondContact O-N 3.22Å; Y212-I271 HydrophobicContact CD2-CG1 4.47Å
213	F	87.1	Confident	87.4	Confident	11 Å²	11	60.4 Å²	60.4	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-45.8	-173.2	173.5	-112.3	0	0	0	113.1	E201 Y204 V207 K208 Q210 D215 L216 V217	E201-F213 HydrophobicContact CB-CZ 4.15Å; E201-F213 HydrophobicContact CG-CE1 4.06Å; E201-F213 HydrophobicContact CG-CZ 3.85Å; Y204-F213 WeakPolarHBondContact O-CE2 3.43Å; V207-F213 HydrophobicContact CG2-CD2 4.29Å; K208-F213 HydrophobicContact CB-CE1 4.34Å; K208-F213 HydrophobicContact CB-CE2 4.27Å; K208-F213 HydrophobicContact CB-CZ 4.17Å; K208-F213 HydrophobicContact CD-CZ 4.45Å; K208-F213 HydrophobicContact CG-CD1 4.19Å; K208-F213 HydrophobicContact CG-CE1 3.78Å; K208-F213 HydrophobicContact CG-CZ 3.95Å; Q210-F213 VanDerWaalsContact O-CB 3.23Å; Q210-F213 WeakPolarHBondContact O-CB 3.39Å; Q210-F213 PolarHBondContact O-N 3.47Å; F213-D215 VanDerWaalsContact C-N 3.34Å; F213-D215 PolarHBondContact O-N 3.04Å; F213-L216 WeakPolarHBondContact O-CB 3.47Å; F213-L216 PolarHBondContact O-N 3.29Å; F213-V217 HydrophobicContact CD2-CG2 4.34Å; F213-V217 HydrophobicContact CE1-CG2 4.21Å; F213-V217 HydrophobicContact CE2-CG2 3.94Å; F213-V217 HydrophobicContact CZ-CG2 3.88Å; F213-V217 WeakPolarHBondContact O-CG2 3.32Å; F213-V217 PolarHBondContact O-N 2.77Å
214	Q	89.1	Confident	87.7	Confident	118 Å²	118	61.4 Å²	61.4	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-69.2	-32.3	179.3	-69.9	-75.4	-73.2	0	0	112.3	E201 Y212 V217 G218	E201-Q214 PolarHBondContact OE1-NE2 3.03Å; Y212-Q214 PolarHBondContact O-N 3.37Å; Q214-V217 PolarHBondContact O-N 2.88Å; Q214-G218 PolarHBondContact O-N 3.46Å
215	D	89.8	Confident	88.1	Confident	104 Å²	104	60.9 Å²	60.9	56%	0.556	33%	0.333	S	S	*	.	H	α-helix	trans	-69.2	-35.6	172.7	-58.3	-46.4	0	0	0	111.4	Y212 F213 F219 I271	Y212-D215 PolarHBondContact O-N 3.47Å; F213-D215 VanDerWaalsContact C-N 3.34Å; F213-D215 PolarHBondContact O-N 3.04Å; D215-F219 VanDerWaalsContact O-CB 3.25Å; D215-F219 WeakPolarHBondContact O-CB 3.39Å; D215-F219 PolarHBondContact O-N 3.39Å; D215-I271 HydrophobicContact CB-CD1 3.52Å
216	L	88.5	Confident	88.5	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-45.2	172.7	175.7	64.2	0	0	0	111.6	Y204 V207 Y212 F213 F219 M220 I271	Y204-L216 HydrophobicContact CD1-CD2 3.87Å; Y204-L216 HydrophobicContact CD2-CD2 4.46Å; Y204-L216 HydrophobicContact CE1-CD2 4.28Å; Y204-L216 HydrophobicContact CG-CD2 3.97Å; V207-L216 HydrophobicContact CG2-CD2 4.05Å; Y212-L216 HydrophobicContact CD2-CB 4.42Å; Y212-L216 PolarHBondContact O-N 3.22Å; F213-L216 WeakPolarHBondContact O-CB 3.47Å; F213-L216 PolarHBondContact O-N 3.29Å; L216-F219 PolarHBondContact O-N 2.91Å; L216-M220 HydrophobicContact CD1-CG 3.89Å; L216-M220 HydrophobicContact CD1-SD 4.39Å; L216-M220 HydrophobicContact CG-CG 4.35Å; L216-M220 WeakPolarHBondContact O-CB 3.37Å; L216-M220 VanDerWaalsContact O-CG 3.26Å; L216-M220 WeakPolarHBondContact O-CG 3.47Å; L216-M220 PolarHBondContact O-N 3.16Å; L216-I271 HydrophobicContact CD1-CG2 4.08Å
217	V	91.2	Very high	89.2	Confident	9 Å²	9	51.5 Å²	51.5	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-46	175.2	170.3	0	0	0	0	110.8	A197 A200 E201 F213 Q214 F219 M220 T221	A197-V217 HydrophobicContact CB-CG1 4.43Å; A200-V217 HydrophobicContact CB-CG1 4.14Å; A200-V217 HydrophobicContact CB-CG2 4.41Å; E201-V217 HydrophobicContact CG-CG1 4.12Å; E201-V217 HydrophobicContact CG-CG2 3.86Å; F213-V217 HydrophobicContact CD2-CG2 4.34Å; F213-V217 HydrophobicContact CE1-CG2 4.21Å; F213-V217 HydrophobicContact CE2-CG2 3.94Å; F213-V217 HydrophobicContact CZ-CG2 3.88Å; F213-V217 WeakPolarHBondContact O-CG2 3.32Å; F213-V217 PolarHBondContact O-N 2.77Å; Q214-V217 PolarHBondContact O-N 2.88Å; V217-F219 VanDerWaalsContact C-N 3.27Å; V217-F219 PolarHBondContact O-N 2.89Å; V217-M220 PolarHBondContact O-N 3.07Å; V217-T221 WeakPolarHBondContact O-CB 3.49Å; V217-T221 VanDerWaalsContact O-CG2 3.32Å; V217-T221 WeakPolarHBondContact O-CG2 3.37Å; V217-T221 PolarHBondContact O-N 2.7Å; V217-T221 VanDerWaalsContact O-N 3.08Å; V217-T221 PolarHBondContact O-OG1 3.33Å
218	G	91	Very high	89.9	Confident	43 Å²	43	49.5 Å²	49.5	44%	0.443	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-31.7	175.1	0	0	0	0	0	113.7	Q214 T221	Q214-G218 PolarHBondContact O-N 3.46Å; G218-T221 PolarHBondContact O-OG1 2.8Å
219	F	92.6	Very high	90.4	Very high	29 Å²	29	45.2 Å²	45.2	13%	0.127	26%	0.255	C	S	.	.	H	α-helix	trans	-76.3	-46.6	174.5	173.3	-110.3	0	0	0	112.8	K164 P165 D166 D215 L216 V217 T221 S222 I271 Q272	K164-F219 HydrophobicContact CB-CE1 4.03Å; K164-F219 HydrophobicContact CB-CZ 4.36Å; K164-F219 HydrophobicContact CD-CE1 4.17Å; K164-F219 HydrophobicContact CG-CE1 4.43Å; P165-F219 HydrophobicContact CB-CZ 4.49Å; D166-F219 HydrophobicContact CB-CE2 4.25Å; D166-F219 HydrophobicContact CB-CZ 3.87Å; D215-F219 VanDerWaalsContact O-CB 3.25Å; D215-F219 WeakPolarHBondContact O-CB 3.39Å; D215-F219 PolarHBondContact O-N 3.39Å; L216-F219 PolarHBondContact O-N 2.91Å; V217-F219 VanDerWaalsContact C-N 3.27Å; V217-F219 PolarHBondContact O-N 2.89Å; F219-T221 PolarHBondContact O-N 3Å; F219-S222 VanDerWaalsContact O-CB 3.29Å; F219-S222 WeakPolarHBondContact O-CB 3.45Å; F219-S222 PolarHBondContact O-N 3.44Å; F219-S222 PolarHBondContact O-OG 2.89Å; F219-I271 HydrophobicContact CB-CG2 3.67Å; F219-I271 HydrophobicContact CD1-CG2 3.49Å; F219-I271 VanDerWaalsContact CD1-CG2 3.49Å; F219-I271 HydrophobicContact CE1-CG2 4.33Å; F219-I271 HydrophobicContact CG-CG2 3.67Å; F219-Q272 HydrophobicContact CD2-CG 4.37Å; F219-Q272 HydrophobicContact CE1-CG 4.32Å; F219-Q272 HydrophobicContact CE2-CG 3.89Å; F219-Q272 HydrophobicContact CZ-CG 3.86Å
220	M	93.2	Very high	90.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-25.8	-179.6	-68	-60.4	-49.2	0	0	113.1	V162 K164 F195 A200 Y204 L216 V217 S225	V162-M220 HydrophobicContact CG1-CE 3.87Å; K164-M220 HydrophobicContact CD-SD 4.25Å; K164-M220 HydrophobicContact CG-CE 4.41Å; K164-M220 HydrophobicContact CG-SD 3.89Å; F195-M220 HydrophobicContact CD2-CB 4.48Å; F195-M220 HydrophobicContact CD2-CE 3.85Å; F195-M220 HydrophobicContact CE2-CE 3.41Å; F195-M220 VanDerWaalsContact CE2-CE 3.41Å; F195-M220 HydrophobicContact CZ-CE 4.07Å; A200-M220 HydrophobicContact CB-CB 4.42Å; Y204-M220 HydrophobicContact CD2-CG 4.36Å; Y204-M220 HydrophobicContact CE2-CB 4.45Å; Y204-M220 HydrophobicContact CE2-CE 4.16Å; Y204-M220 HydrophobicContact CE2-CG 3.64Å; Y204-M220 HydrophobicContact CE2-SD 4.16Å; L216-M220 HydrophobicContact CD1-CG 3.89Å; L216-M220 HydrophobicContact CD1-SD 4.39Å; L216-M220 HydrophobicContact CG-CG 4.35Å; L216-M220 WeakPolarHBondContact O-CB 3.37Å; L216-M220 VanDerWaalsContact O-CG 3.26Å; L216-M220 WeakPolarHBondContact O-CG 3.47Å; L216-M220 PolarHBondContact O-N 3.16Å; V217-M220 PolarHBondContact O-N 3.07Å; M220-S225 WeakPolarHBondContact CE-OG 3.24Å
221	T	93.4	Very high	91.4	Very high	45 Å²	45	33.1 Å²	33.1	28%	0.276	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4	173.2	54.6	0	0	0	0	114	F195 A197 A200 V217 G218 F219 G223	F195-T221 HydrophobicContact CB-CG2 4.32Å; A197-T221 HydrophobicContact CB-CG2 4.31Å; A200-T221 HydrophobicContact CB-CG2 4.18Å; V217-T221 WeakPolarHBondContact O-CB 3.49Å; V217-T221 VanDerWaalsContact O-CG2 3.32Å; V217-T221 WeakPolarHBondContact O-CG2 3.37Å; V217-T221 PolarHBondContact O-N 2.7Å; V217-T221 VanDerWaalsContact O-N 3.08Å; V217-T221 PolarHBondContact O-OG1 3.33Å; G218-T221 PolarHBondContact O-OG1 2.8Å; F219-T221 PolarHBondContact O-N 3Å; T221-G223 VanDerWaalsContact C-N 3.31Å; T221-G223 PolarHBondContact O-N 2.99Å
222	S	93	Very high	91.8	Very high	69 Å²	69	28.4 Å²	28.4	48%	0.483	16%	0.161	S	C	.	.	S	Bend	trans	-79.1	-9.2	-176.9	73.6	0	0	0	0	114.8	F219	F219-S222 VanDerWaalsContact O-CB 3.29Å; F219-S222 WeakPolarHBondContact O-CB 3.45Å; F219-S222 PolarHBondContact O-N 3.44Å; F219-S222 PolarHBondContact O-OG 2.89Å
223	G	92.2	Very high	91.8	Very high	5 Å²	5	29.3 Å²	29.3	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	-178.8	175.3	-178.6	0	0	0	0	0	113.7	P165 L194 T221	P165-G223 WeakPolarHBondContact CG-O 3.46Å; L194-G223 VanDerWaalsContact CD1-C 3.44Å; L194-G223 WeakPolarHBondContact CD1-O 3.37Å; T221-G223 VanDerWaalsContact C-N 3.31Å; T221-G223 PolarHBondContact O-N 2.99Å
224	P	94.3	Very high	91.2	Very high	42 Å²	42	31 Å²	31	27%	0.273	19%	0.187	S	C	.	.			trans	-65.6	135.8	177.8	28.8	-34.6	0	0	0	110.7	P165 V168	P165-P224 WeakPolarHBondContact CA-O 3.49Å; V168-P224 WeakPolarHBondContact CB-O 3.19Å; V168-P224 HydrophobicContact CG1-CB 4.45Å; V168-P224 HydrophobicContact CG1-CG 4.09Å
225	S	94.8	Very high	90.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	151.1	166.2	-57.5	0	0	0	0	109.1	L163 P165 E192 H193 M220	L163-S225 CarbonylContact O-C 3.1Å; L163-S225 VanDerWaalsContact O-CA 3.28Å; L163-S225 WeakPolarHBondContact O-CA 3.19Å; L163-S225 WeakPolarHBondContact O-CB 3.47Å; P165-S225 WeakPolarHBondContact CD-OG 3.5Å; P165-S225 WeakPolarHBondContact CG-OG 3.34Å; E192-S225 CarbonylContact C-O 3.6Å; E192-S225 WeakPolarHBondContact CA-O 3.49Å; H193-S225 PolarHBondContact N-O 2.63Å; H193-S225 PolarHBondContact O-N 2.82Å; M220-S225 WeakPolarHBondContact CE-OG 3.24Å
226	K	95.5	Very high	90.7	Very high	23 Å²	23	28.2 Å²	28.2	10%	0.1	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.2	175.3	-173.3	167.2	176.5	173.8	0	109.5	L163 V168 E174 I177 E192 I228	L163-K226 HydrophobicContact CB-CB 4.14Å; L163-K226 WeakPolarHBondContact CB-O 3.42Å; L163-K226 HydrophobicContact CD1-CB 4.29Å; L163-K226 HydrophobicContact CD1-CG 4.47Å; L163-K226 PolarHBondContact N-O 3.14Å; L163-K226 PolarHBondContact O-N 2.75Å; V168-K226 HydrophobicContact CG2-CB 3.82Å; E174-K226 IonicContact OE1-NZ 2.81Å; E174-K226 PolarHBondContact OE1-NZ 3.48Å; E174-K226 IonicContact OE2-NZ 3.49Å; E174-K226 PolarHBondContact OE2-NZ 2.85Å; I177-K226 HydrophobicContact CD1-CD 4.01Å; E192-K226 HydrophobicContact CG-CB 4.45Å; E192-K226 HydrophobicContact CG-CG 4.48Å; K226-I228 HydrophobicContact CG-CG2 4.3Å
227	I	94.9	Very high	90.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.7	178.9	-46.9	-58.2	0	0	0	107.5	L160 V162 S190 Q191 H193 F195 F291 Y292	L160-I227 HydrophobicContact CD1-CG2 3.64Å; L160-I227 HydrophobicContact CD2-CG2 4.04Å; L160-I227 HydrophobicContact CG-CG2 3.94Å; V162-I227 HydrophobicContact CB-CD1 4.32Å; V162-I227 HydrophobicContact CG1-CD1 3.9Å; V162-I227 HydrophobicContact CG2-CD1 3.78Å; S190-I227 CarbonylContact C-O 3.51Å; S190-I227 VanDerWaalsContact CA-O 3.27Å; S190-I227 WeakPolarHBondContact CA-O 3.29Å; Q191-I227 HydrophobicContact CG-CB 3.95Å; Q191-I227 HydrophobicContact CG-CG1 4.25Å; Q191-I227 PolarHBondContact N-O 2.89Å; Q191-I227 PolarHBondContact O-N 3.32Å; H193-I227 HydrophobicContact CB-CD1 4.23Å; H193-I227 HydrophobicContact CB-CG1 3.74Å; F195-I227 HydrophobicContact CE2-CD1 4.4Å; F195-I227 HydrophobicContact CZ-CD1 4.41Å; I227-F291 HydrophobicContact CD1-CD2 4.43Å; I227-F291 HydrophobicContact CD1-CE1 4.05Å; I227-F291 HydrophobicContact CD1-CE2 3.87Å; I227-F291 HydrophobicContact CD1-CZ 3.67Å; I227-F291 HydrophobicContact CG1-CD1 4.25Å; I227-F291 HydrophobicContact CG1-CE1 4.14Å; I227-F291 HydrophobicContact CG1-CE2 4.46Å; I227-F291 HydrophobicContact CG1-CZ 4.24Å; I227-F291 HydrophobicContact CG2-CB 4.3Å; I227-F291 HydrophobicContact CG2-CD2 3.95Å; I227-F291 HydrophobicContact CG2-CE2 4.41Å; I227-F291 HydrophobicContact CG2-CG 4.02Å; I227-Y292 HydrophobicContact CG2-CE2 4.11Å
228	I	95.4	Very high	90.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.2	178.1	59.7	178.8	0	0	0	110.9	A161 L163 I177 L180 I187 E189 K226	A161-I228 HydrophobicContact CB-CD1 4.16Å; A161-I228 HydrophobicContact CB-CG1 3.79Å; A161-I228 PolarHBondContact N-O 3.22Å; A161-I228 PolarHBondContact O-N 2.83Å; L163-I228 HydrophobicContact CD1-CD1 4.2Å; L163-I228 HydrophobicContact CG-CD1 4.47Å; I177-I228 HydrophobicContact CD1-CG2 4.25Å; I177-I228 HydrophobicContact CG1-CD1 4.35Å; L180-I228 HydrophobicContact CD1-CD1 4.02Å; I187-I228 HydrophobicContact CD1-CD1 4.07Å; I187-I228 HydrophobicContact CG2-CB 4.19Å; I187-I228 HydrophobicContact CG2-CG2 4.36Å; E189-I228 WeakPolarHBondContact O-CA 3.35Å; K226-I228 HydrophobicContact CG-CG2 4.3Å
229	V	94.1	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.7	173.3	-177.8	0	0	0	0	108.2	L158 I187 L188 E189 L288 Y292 Y295	L158-V229 HydrophobicContact CB-CG1 4.5Å; L158-V229 HydrophobicContact CD1-CG1 4.24Å; I187-V229 WeakPolarHBondContact CA-O 3.39Å; L188-V229 HydrophobicContact CB-CG1 4.46Å; L188-V229 PolarHBondContact N-O 2.77Å; E189-V229 HydrophobicContact CB-CB 4.02Å; E189-V229 HydrophobicContact CB-CG2 3.85Å; E189-V229 PolarHBondContact O-N 3.33Å; V229-L288 HydrophobicContact CB-CD1 4.45Å; V229-L288 HydrophobicContact CG1-CD1 3.93Å; V229-L288 HydrophobicContact CG2-CD1 3.62Å; V229-Y292 HydrophobicContact CG2-CD2 3.79Å; V229-Y292 HydrophobicContact CG2-CE2 3.5Å; V229-Y295 HydrophobicContact CG1-CE1 4.48Å
230	C	93.2	Very high	90.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137	-173.8	-59.1	0	0	0	0	110.9	L158 T159 I185 I238 L242	L158-C230 WeakPolarHBondContact CA-O 3.32Å; T159-C230 HydrophobicContact CG2-CB 3.84Å; T159-C230 PolarHBondContact N-O 3.26Å; T159-C230 PolarHBondContact O-N 2.93Å; I185-C230 HydrophobicContact CG2-CB 3.79Å; C230-I238 HydrophobicContact CB-CG1 4.25Å; C230-L242 HydrophobicContact CB-CD2 4.49Å
231	A	92.5	Very high	90	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.5	170.1	0	0	0	0	0	110.2	Q156 L158 E186 L188	Q156-A231 HydrophobicContact CG-CB 4.15Å; L158-A231 HydrophobicContact CD2-CB 3.66Å; E186-A231 PolarHBondContact N-O 3.41Å; E186-A231 PolarHBondContact O-N 3.12Å; L188-A231 HydrophobicContact CD1-CB 3.89Å; L188-A231 HydrophobicContact CG-CB 4.09Å
232	L	89.8	Confident	89.9	Confident	21 Å²	21	32.2 Å²	32.2	11%	0.11	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.8	172	-165.1	65.2	0	0	0	109.1	Q156 I185 G234 K235 I238 E241	Q156-L232 PolarHBondContact NE2-O 2.99Å; I185-L232 HydrophobicContact CG1-CD1 4.31Å; L232-G234 PolarHBondContact O-N 3.16Å; L232-K235 HydrophobicContact CB-CB 4.34Å; L232-K235 HydrophobicContact CD2-CB 3.75Å; L232-K235 HydrophobicContact CD2-CD 4.37Å; L232-K235 HydrophobicContact CG-CB 3.94Å; L232-K235 PolarHBondContact O-N 2.83Å; L232-I238 HydrophobicContact CB-CB 4.01Å; L232-I238 HydrophobicContact CB-CD1 4.06Å; L232-I238 HydrophobicContact CD1-CD1 4.28Å; L232-E241 HydrophobicContact CD1-CB 4.37Å; L232-E241 HydrophobicContact CD1-CG 4.03Å; L232-E241 HydrophobicContact CD2-CB 4.47Å
233	K	81.5	Confident	89.6	Confident	89 Å²	89	35 Å²	35	39%	0.387	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	107.7	-166.3	-166.1	179.6	-163.4	81.6	0	112.4	G184 E186 K235 I596	G184-K233 PolarHBondContact O-N 2.75Å; E186-K233 HydrophobicContact CB-CB 4.41Å; E186-K233 IonicContact OE1-NZ 3.52Å; E186-K233 PolarHBondContact OE1-NZ 2.97Å; K233-K235 PolarHBondContact O-N 2.75Å; K233-I596 HydrophobicContact CD-CG2 4.1Å
234	G	75.8	Confident	89.3	Confident	45 Å²	45	37.1 Å²	37.1	46%	0.464	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	16.3	-178.1	0	0	0	0	0	115.4	L232	L232-G234 PolarHBondContact O-N 3.16Å
235	K	82.4	Confident	89	Confident	97 Å²	97	36.5 Å²	36.5	42%	0.422	21%	0.206	S	C	.	.			trans	-132.9	165.4	-178.3	-72.5	-175.3	173.4	-174.2	0	110.9	L232 K233 E601	L232-K235 HydrophobicContact CB-CB 4.34Å; L232-K235 HydrophobicContact CD2-CB 3.75Å; L232-K235 HydrophobicContact CD2-CD 4.37Å; L232-K235 HydrophobicContact CG-CB 3.94Å; L232-K235 PolarHBondContact O-N 2.83Å; K233-K235 PolarHBondContact O-N 2.75Å; K235-E601 IonicContact NZ-OE1 3.79Å; K235-E601 PolarHBondContact NZ-OE1 3.27Å
236	Q	84.7	Confident	88.7	Confident	67 Å²	67	36.5 Å²	36.5	31%	0.313	21%	0.206	S	C	.	.	S	Bend	trans	-99.8	167	171.3	-69.2	-80.4	-41	0	0	110	I154 E155	I154-Q236 HydrophobicContact CD1-CG 3.64Å; I154-Q236 VanDerWaalsContact CD1-NE2 3.34Å; E155-Q236 PolarHBondContact O-NE2 3.19Å
237	G	86.1	Confident	88	Confident	23 Å²	23	35.9 Å²	35.9	24%	0.237	21%	0.206	C	C	.	.			trans	95.5	16.4	173	0	0	0	0	0	116.5	E157 I239 S240 E241	E157-G237 VanDerWaalsContact OE2-CA 3.24Å; E157-G237 WeakPolarHBondContact OE2-CA 3.44Å; E157-G237 PolarHBondContact OE2-N 3.36Å; G237-I239 PolarHBondContact O-N 2.79Å; G237-S240 WeakPolarHBondContact O-CB 3.46Å; G237-S240 PolarHBondContact O-N 3.12Å; G237-E241 PolarHBondContact O-N 2.61Å
238	I	91.5	Very high	87.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-51.8	-33.5	-177.4	-174.5	57.3	0	0	0	113.7	E157 T159 I185 C230 L232 S240 E241 L242	E157-I238 HydrophobicContact CB-CG2 4.22Å; E157-I238 HydrophobicContact CG-CG2 3.87Å; E157-I238 WeakPolarHBondContact O-CG2 3.42Å; T159-I238 HydrophobicContact CG2-CB 4.43Å; T159-I238 HydrophobicContact CG2-CG1 3.67Å; T159-I238 HydrophobicContact CG2-CG2 3.93Å; I185-I238 HydrophobicContact CB-CD1 4.25Å; I185-I238 HydrophobicContact CD1-CD1 3.67Å; I185-I238 HydrophobicContact CG1-CD1 3.58Å; I185-I238 HydrophobicContact CG2-CD1 3.88Å; C230-I238 HydrophobicContact CB-CG1 4.25Å; L232-I238 HydrophobicContact CB-CB 4.01Å; L232-I238 HydrophobicContact CB-CD1 4.06Å; L232-I238 HydrophobicContact CD1-CD1 4.28Å; I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 PolarHBondContact O-N 3.02Å; I238-E241 PolarHBondContact O-N 2.59Å; I238-L242 HydrophobicContact CD1-CB 4.38Å; I238-L242 WeakPolarHBondContact O-CB 3.17Å; I238-L242 PolarHBondContact O-N 2.82Å
239	I	87.3	Confident	85.6	Confident	13 Å²	13	41.6 Å²	41.6	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-34.9	179.2	-62.3	176.7	0	0	0	111.4	E157 T159 G237 R243 K281 A284	E157-I239 WeakPolarHBondContact OE1-CG1 3.34Å; E157-I239 PolarHBondContact OE1-N 3.03Å; T159-I239 HydrophobicContact CG2-CG1 4.46Å; G237-I239 PolarHBondContact O-N 2.79Å; I239-R243 VanDerWaalsContact O-CB 3.24Å; I239-R243 WeakPolarHBondContact O-CB 3.43Å; I239-R243 WeakPolarHBondContact O-CG 3.26Å; I239-R243 PolarHBondContact O-N 2.81Å; I239-K281 HydrophobicContact CD1-CB 4.25Å; I239-K281 HydrophobicContact CD1-CG 3.78Å; I239-A284 HydrophobicContact CD1-CB 3.68Å; I239-A284 HydrophobicContact CG1-CB 4.48Å
240	S	87.3	Confident	84	Confident	95 Å²	95	47.2 Å²	47.2	66%	0.664	27%	0.273	S	S	*	.	H	α-helix	trans	-71.4	-45.9	174.7	-168.7	0	0	0	0	110.8	G237 I238 R243 G244	G237-S240 WeakPolarHBondContact O-CB 3.46Å; G237-S240 PolarHBondContact O-N 3.12Å; I238-S240 VanDerWaalsContact C-N 3.31Å; I238-S240 PolarHBondContact O-N 3.02Å; S240-R243 PolarHBondContact O-N 2.74Å; S240-G244 PolarHBondContact O-N 3.14Å
241	E	90.2	Very high	82.2	Confident	86 Å²	86	48.6 Å²	48.6	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-55.2	-176.1	-157.8	59.2	-129.4	0	0	111.3	L232 G237 I238 R243 G244 L245	L232-E241 HydrophobicContact CD1-CB 4.37Å; L232-E241 HydrophobicContact CD1-CG 4.03Å; L232-E241 HydrophobicContact CD2-CB 4.47Å; G237-E241 PolarHBondContact O-N 2.61Å; I238-E241 PolarHBondContact O-N 2.59Å; E241-R243 PolarHBondContact O-N 3.17Å; E241-G244 WeakPolarHBondContact O-CA 3.31Å; E241-G244 PolarHBondContact O-N 2.93Å; E241-L245 WeakPolarHBondContact O-CG 3.13Å; E241-L245 PolarHBondContact O-N 3.09Å
242	L	91.2	Very high	80.2	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-56.6	-39	178	179.6	62.9	0	0	0	111.7	T159 A161 L180 I185 C230 I238 L245 I246 A277	T159-L242 HydrophobicContact CG2-CD2 3.51Å; A161-L242 HydrophobicContact CB-CD2 4.25Å; L180-L242 HydrophobicContact CD2-CD1 3.52Å; I185-L242 HydrophobicContact CD1-CB 4.04Å; I185-L242 HydrophobicContact CD1-CD1 3.88Å; C230-L242 HydrophobicContact CB-CD2 4.49Å; I238-L242 HydrophobicContact CD1-CB 4.38Å; I238-L242 WeakPolarHBondContact O-CB 3.17Å; I238-L242 PolarHBondContact O-N 2.82Å; L242-L245 PolarHBondContact O-N 2.8Å; L242-I246 HydrophobicContact CD1-CG2 3.85Å; L242-I246 HydrophobicContact CG-CG2 4.36Å; L242-I246 WeakPolarHBondContact O-CG1 3.18Å; L242-I246 WeakPolarHBondContact O-CG2 3.17Å; L242-I246 PolarHBondContact O-N 3.04Å; L242-A277 HydrophobicContact CD2-CB 3.67Å; L242-A277 HydrophobicContact CG-CB 4.14Å
243	R	87.1	Confident	78.4	Confident	127 Å²	127	62 Å²	62	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-67.8	-32.9	176	-76.9	-171.3	67.9	172.6	2.1	113.4	I239 S240 E241 G247 S279	I239-R243 VanDerWaalsContact O-CB 3.24Å; I239-R243 WeakPolarHBondContact O-CB 3.43Å; I239-R243 WeakPolarHBondContact O-CG 3.26Å; I239-R243 PolarHBondContact O-N 2.81Å; S240-R243 PolarHBondContact O-N 2.74Å; E241-R243 PolarHBondContact O-N 3.17Å; R243-G247 PolarHBondContact O-N 3.09Å; R243-S279 PolarHBondContact NH1-O 2.71Å
244	G	86.9	Confident	76.8	Confident	50 Å²	50	65.5 Å²	65.5	52%	0.515	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-49.4	169.9	0	0	0	0	0	111.6	S240 E241 G247	S240-G244 PolarHBondContact O-N 3.14Å; E241-G244 WeakPolarHBondContact O-CA 3.31Å; E241-G244 PolarHBondContact O-N 2.93Å; G244-G247 PolarHBondContact O-N 3.07Å
245	L	87.9	Confident	75.7	Confident	28 Å²	28	65.4 Å²	65.4	15%	0.147	36%	0.355	C	S	.	.	H	α-helix	trans	-68.2	-37.8	-176.4	-60.2	-172.2	0	0	0	114	K183 I185 E241 L242 T261 I262	K183-L245 HydrophobicContact CB-CD1 3.59Å; K183-L245 HydrophobicContact CD-CD1 3.81Å; K183-L245 HydrophobicContact CD-CD2 3.84Å; K183-L245 HydrophobicContact CD-CG 4.33Å; K183-L245 HydrophobicContact CG-CD1 4.35Å; I185-L245 HydrophobicContact CD1-CD1 3.79Å; I185-L245 HydrophobicContact CG1-CD1 4.45Å; E241-L245 WeakPolarHBondContact O-CG 3.13Å; E241-L245 PolarHBondContact O-N 3.09Å; L242-L245 PolarHBondContact O-N 2.8Å; L245-T261 WeakPolarHBondContact O-CA 3.44Å; L245-I262 PolarHBondContact O-N 2.78Å; L245-I262 VanDerWaalsContact O-N 3.1Å
246	I	87.2	Confident	74.4	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-77.2	-29.6	178.9	70.9	-168.8	0	0	0	113.1	L242 I262 R263 I275 A277	L242-I246 HydrophobicContact CD1-CG2 3.85Å; L242-I246 HydrophobicContact CG-CG2 4.36Å; L242-I246 WeakPolarHBondContact O-CG1 3.18Å; L242-I246 WeakPolarHBondContact O-CG2 3.17Å; L242-I246 PolarHBondContact O-N 3.04Å; I246-I262 HydrophobicContact CG2-CD1 4.19Å; I246-R263 HydrophobicContact CB-CG 4.36Å; I246-R263 WeakPolarHBondContact O-CB 3.49Å; I246-R263 WeakPolarHBondContact O-CD 3.3Å; I246-R263 WeakPolarHBondContact O-CG 3.39Å; I246-R263 PolarHBondContact O-N 3.36Å; I246-I275 HydrophobicContact CB-CG2 3.87Å; I246-I275 HydrophobicContact CG2-CD1 4Å; I246-I275 HydrophobicContact CG2-CG1 4.46Å; I246-I275 HydrophobicContact CG2-CG2 3.64Å; I246-A277 HydrophobicContact CD1-CB 3.65Å
247	G	80.8	Confident	72.9	Confident	10 Å²	10	75 Å²	75	10%	0.103	40%	0.401	C	S	.	.			trans	78.7	-175.8	-176.7	0	0	0	0	0	114.7	R243 G244 R263	R243-G247 PolarHBondContact O-N 3.09Å; G244-G247 PolarHBondContact O-N 3.07Å; G247-R263 PolarHBondContact O-NH1 2.86Å
248	P	75.5	Confident	71.6	Confident	54 Å²	54	76.7 Å²	76.7	35%	0.351	40%	0.403	S	S	.	.			trans	-70.8	150.9	-172.7	30.2	-36	0	0	0	112.9	I250 F251 M258 R263	P248-I250 WeakPolarHBondContact CB-O 3.33Å; P248-I250 WeakPolarHBondContact CG-O 3.2Å; P248-I250 PolarHBondContact O-N 3.45Å; P248-F251 HydrophobicContact CG-CB 4.39Å; P248-M258 VanDerWaalsContact CD-SD 3.59Å; P248-M258 HydrophobicContact CG-SD 3.73Å; P248-R263 VanDerWaalsContact O-CD 3.27Å; P248-R263 WeakPolarHBondContact O-CD 3.41Å
249	S	64.3	Low	70.2	Confident	66 Å²	66	81.2 Å²	81.2	46%	0.462	43%	0.428	S	S	.	.	S	Bend	trans	-68.8	-16	179.6	-51.2	0	0	0	0	113.9	R263	S249-R263 PolarHBondContact OG-NH1 3.26Å
250	I	61.2	Low	69.7	Low	117 Å²	117	88.3 Å²	88.3	60%	0.6	46%	0.46	S	S	*	.	S	Bend	trans	-128.2	125.7	171.5	-58.1	173.5	0	0	0	105.9	P248 I270	P248-I250 WeakPolarHBondContact CB-O 3.33Å; P248-I250 WeakPolarHBondContact CG-O 3.2Å; P248-I250 PolarHBondContact O-N 3.45Å; I250-I270 HydrophobicContact CG1-CG2 4.47Å
251	F	54.8	Low	69.6	Low	30 Å²	30	84.5 Å²	84.5	13%	0.132	43%	0.433	C	S	.	.			trans	-134.6	139.2	-178.7	51.8	-86.9	0	0	0	109.6	P248 K253 R263 N273	P248-F251 HydrophobicContact CG-CB 4.39Å; F251-K253 HydrophobicContact CD2-CG 4.41Å; F251-K253 HydrophobicContact CE2-CG 4.39Å; F251-R263 HydrophobicContact CD1-CB 4.07Å; F251-R263 HydrophobicContact CE1-CB 4.01Å; F251-R263 VanDerWaalsContact CZ-O 3.24Å; F251-R263 WeakPolarHBondContact CZ-O 3.47Å; F251-N273 HydrophobicContact CE1-CB 4.28Å
252	E	51.4	Low	69.5	Low	168 Å²	168	80.4 Å²	80.4	79%	0.785	41%	0.414	S	S	*	.			trans	-92.5	131.1	168.9	-64.9	-175.4	167.6	0	0	108	D254	E252-D254 PolarHBondContact O-N 2.92Å; E252-D254 VanDerWaalsContact O-N 3.13Å
253	K	50.5	Low	69.3	Low	133 Å²	133	80.8 Å²	80.8	58%	0.578	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.9	-171.9	-77	-163.9	169.6	-168.3	0	114.9	F251 G267	F251-K253 HydrophobicContact CD2-CG 4.41Å; F251-K253 HydrophobicContact CE2-CG 4.39Å; K253-G267 PolarHBondContact NZ-O 3.39Å
254	D	47.9	Very low	69.1	Low	163 Å²	163	75.7 Å²	75.7	87%	0.872	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	12.9	-174.5	-55.2	-30.5	0	0	0	112.9	E252	E252-D254 PolarHBondContact O-N 2.92Å; E252-D254 VanDerWaalsContact O-N 3.13Å
255	S	53.3	Low	69	Low	44 Å²	44	77.8 Å²	77.8	31%	0.308	40%	0.396	S	S	.	.			trans	-92	106.7	177.1	-179.1	0	0	0	0	111.7	E257 M258	S255-E257 PolarHBondContact O-N 3.4Å; S255-M258 PolarHBondContact O-N 3.45Å; S255-M258 VanDerWaalsContact O-N 3.08Å; S255-M258 WeakPolarHBondContact OG-CG 3.27Å
256	E	56.1	Low	69	Low	179 Å²	179	79.3 Å²	79.3	84%	0.836	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-57.4	-33.3	178.7	-66.9	-172.2	151	0	0	112.9	M258 N259	E256-M258 VanDerWaalsContact C-N 3.26Å; E256-M258 PolarHBondContact O-N 2.93Å; E256-N259 PolarHBondContact O-ND2 2.86Å
257	E	53.2	Low	68.7	Low	186 Å²	186	79.3 Å²	79.3	87%	0.869	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-73.5	-8.6	179.4	-61.1	-173.3	151.3	0	0	114.2	S255	S255-E257 PolarHBondContact O-N 3.4Å
258	M	58	Low	68.7	Low	58 Å²	58	83.2 Å²	83.2	29%	0.286	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-104.8	-11.1	-176.3	-69.2	-86.8	89.6	0	0	114.7	P248 S255 E256 E260 T261 A264	P248-M258 VanDerWaalsContact CD-SD 3.59Å; P248-M258 HydrophobicContact CG-SD 3.73Å; S255-M258 PolarHBondContact O-N 3.45Å; S255-M258 VanDerWaalsContact O-N 3.08Å; S255-M258 WeakPolarHBondContact OG-CG 3.27Å; E256-M258 VanDerWaalsContact C-N 3.26Å; E256-M258 PolarHBondContact O-N 2.93Å; M258-E260 PolarHBondContact O-N 3.36Å; M258-T261 HydrophobicContact CE-CG2 4.26Å; M258-T261 PolarHBondContact O-N 3.22Å; M258-T261 PolarHBondContact O-OG1 3.4Å; M258-A264 VanDerWaalsContact O-CB 3.31Å; M258-A264 WeakPolarHBondContact O-CB 3.27Å
259	N	62.5	Low	68.7	Low	96 Å²	96	82 Å²	82	51%	0.513	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.5	-168.8	-77.6	-43.8	0	0	0	115.5	E256	E256-N259 PolarHBondContact O-ND2 2.86Å
260	E	76.5	Confident	69.2	Low	161 Å²	161	83 Å²	83	75%	0.752	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-10.9	179.9	-62.8	-173.2	172.8	0	0	113.6	M258 K265	M258-E260 PolarHBondContact O-N 3.36Å; E260-K265 WeakPolarHBondContact O-CE 3.42Å; E260-K265 PolarHBondContact O-NZ 3.42Å
261	T	85.8	Confident	70	Confident	15 Å²	15	79.3 Å²	79.3	9%	0.092	40%	0.399	C	S	.	.	S	Bend	trans	-79.2	142.3	-177.4	66	0	0	0	0	112.7	L245 M258 R263 A264 K265	L245-T261 WeakPolarHBondContact O-CA 3.44Å; M258-T261 HydrophobicContact CE-CG2 4.26Å; M258-T261 PolarHBondContact O-N 3.22Å; M258-T261 PolarHBondContact O-OG1 3.4Å; T261-R263 VanDerWaalsContact C-N 3.28Å; T261-R263 PolarHBondContact O-N 3.34Å; T261-A264 PolarHBondContact O-N 2.82Å; T261-A264 VanDerWaalsContact O-N 3.14Å; T261-A264 VanDerWaalsContact OG1-CB 3.28Å; T261-A264 WeakPolarHBondContact OG1-CB 3.44Å; T261-K265 WeakPolarHBondContact O-CG 3.41Å; T261-K265 PolarHBondContact O-N 2.8Å
262	I	87.5	Confident	71.4	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-59.8	-38	-175.3	-62.9	166.1	0	0	0	111.3	I176 L180 L245 I246 K265 Y266 I275	I176-I262 HydrophobicContact CB-CG2 4.46Å; I176-I262 HydrophobicContact CD1-CG2 4.17Å; I176-I262 HydrophobicContact CG1-CG2 4.05Å; I176-I262 HydrophobicContact CG2-CD1 4.35Å; I176-I262 HydrophobicContact CG2-CG2 3.63Å; L180-I262 HydrophobicContact CD2-CD1 3.58Å; L180-I262 HydrophobicContact CG-CD1 4.01Å; L245-I262 PolarHBondContact O-N 2.78Å; L245-I262 VanDerWaalsContact O-N 3.1Å; I246-I262 HydrophobicContact CG2-CD1 4.19Å; I262-K265 PolarHBondContact O-N 3.4Å; I262-Y266 HydrophobicContact CG2-CD2 3.79Å; I262-Y266 HydrophobicContact CG2-CE2 4.27Å; I262-Y266 VanDerWaalsContact O-CD2 3.3Å; I262-Y266 WeakPolarHBondContact O-CD2 3.35Å; I262-Y266 PolarHBondContact O-N 2.78Å; I262-I275 HydrophobicContact CG2-CG2 3.98Å
263	R	87.2	Confident	72.9	Confident	10 Å²	10	74.1 Å²	74.1	4%	0.038	38%	0.376	C	S	.	.	H	α-helix	trans	-68.4	-38.1	177.8	-68.7	178.9	168.9	156.5	-7.9	113.1	I246 G247 P248 S249 F251 T261 G267 N273 I275	I246-R263 HydrophobicContact CB-CG 4.36Å; I246-R263 WeakPolarHBondContact O-CB 3.49Å; I246-R263 WeakPolarHBondContact O-CD 3.3Å; I246-R263 WeakPolarHBondContact O-CG 3.39Å; I246-R263 PolarHBondContact O-N 3.36Å; G247-R263 PolarHBondContact O-NH1 2.86Å; P248-R263 VanDerWaalsContact O-CD 3.27Å; P248-R263 WeakPolarHBondContact O-CD 3.41Å; S249-R263 PolarHBondContact OG-NH1 3.26Å; F251-R263 HydrophobicContact CD1-CB 4.07Å; F251-R263 HydrophobicContact CE1-CB 4.01Å; F251-R263 VanDerWaalsContact CZ-O 3.24Å; F251-R263 WeakPolarHBondContact CZ-O 3.47Å; T261-R263 VanDerWaalsContact C-N 3.28Å; T261-R263 PolarHBondContact O-N 3.34Å; R263-G267 VanDerWaalsContact O-CA 3.28Å; R263-G267 WeakPolarHBondContact O-CA 3.35Å; R263-G267 PolarHBondContact O-N 2.95Å; R263-N273 WeakPolarHBondContact CG-O 3.36Å; R263-I275 HydrophobicContact CG-CG2 4.02Å; R263-I275 VanDerWaalsContact CZ-O 3.31Å; R263-I275 PolarHBondContact NE-O 3.41Å; R263-I275 PolarHBondContact NH2-O 3.05Å
264	A	83.2	Confident	74.7	Confident	21 Å²	21	67.8 Å²	67.8	17%	0.174	35%	0.348	C	S	.	.	H	α-helix	trans	-68	-39.3	176.3	0	0	0	0	0	112.1	M258 T261	M258-A264 VanDerWaalsContact O-CB 3.31Å; M258-A264 WeakPolarHBondContact O-CB 3.27Å; T261-A264 PolarHBondContact O-N 2.82Å; T261-A264 VanDerWaalsContact O-N 3.14Å; T261-A264 VanDerWaalsContact OG1-CB 3.28Å; T261-A264 WeakPolarHBondContact OG1-CB 3.44Å
265	K	85	Confident	76.8	Confident	93 Å²	93	60 Å²	60	40%	0.404	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-52.8	177.5	-72.3	172.8	173.2	177.8	0	113.3	E179 E260 T261 I262	E179-K265 IonicContact OE1-NZ 3.43Å; E179-K265 PolarHBondContact OE1-NZ 3.27Å; E179-K265 IonicContact OE2-NZ 2.75Å; E179-K265 PolarHBondContact OE2-NZ 3.34Å; E260-K265 WeakPolarHBondContact O-CE 3.42Å; E260-K265 PolarHBondContact O-NZ 3.42Å; T261-K265 WeakPolarHBondContact O-CG 3.41Å; T261-K265 PolarHBondContact O-N 2.8Å; I262-K265 PolarHBondContact O-N 3.4Å
266	Y	87	Confident	78.6	Confident	61 Å²	61	59.4 Å²	59.4	24%	0.239	30%	0.299	C	S	.	.	H	α-helix	trans	-108.2	-13.6	-165.9	-56.2	-71.5	0	0	0	114.1	V172 I176 I262	V172-Y266 HydrophobicContact CG1-CD1 3.33Å; V172-Y266 HydrophobicContact CG1-CE1 3.75Å; V172-Y266 HydrophobicContact CG1-CG 3.88Å; I176-Y266 HydrophobicContact CD1-CD2 3.94Å; I176-Y266 HydrophobicContact CD1-CG 4.08Å; I176-Y266 HydrophobicContact CG1-CD2 3.66Å; I176-Y266 HydrophobicContact CG1-CE2 3.78Å; I176-Y266 HydrophobicContact CG1-CG 4.14Å; I262-Y266 HydrophobicContact CG2-CD2 3.79Å; I262-Y266 HydrophobicContact CG2-CE2 4.27Å; I262-Y266 VanDerWaalsContact O-CD2 3.3Å; I262-Y266 WeakPolarHBondContact O-CD2 3.35Å; I262-Y266 PolarHBondContact O-N 2.78Å
267	G	81.8	Confident	80.2	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.01	26%	0.263	C	S	.	.			trans	-78.7	133.9	-179.5	0	0	0	0	0	114	K253 R263 Q272	K253-G267 PolarHBondContact NZ-O 3.39Å; R263-G267 VanDerWaalsContact O-CA 3.28Å; R263-G267 WeakPolarHBondContact O-CA 3.35Å; R263-G267 PolarHBondContact O-N 2.95Å; G267-Q272 CarbonylContact C-O 3.58Å; G267-Q272 WeakPolarHBondContact CA-O 3.49Å
268	T	79.7	Confident	81.8	Confident	91 Å²	91	42.5 Å²	42.5	56%	0.558	22%	0.222	S	C	*	.			trans	-97.6	-16.6	173.6	58.2	0	0	0	0	113.1	Q272	T268-Q272 PolarHBondContact N-O 3.47Å; T268-Q272 WeakPolarHBondContact OG1-CB 3.3Å; T268-Q272 PolarHBondContact OG1-OE1 3Å
269	G	74.9	Confident	82.8	Confident	28 Å²	28	42.5 Å²	42.5	29%	0.289	23%	0.228	S	C	.	.	S	Bend	trans	-176.2	-170	175.6	0	0	0	0	0	114.4	I271 Q272 N273	G269-I271 PolarHBondContact O-N 2.67Å; G269-Q272 PolarHBondContact N-O 2.77Å; G269-Q272 VanDerWaalsContact N-O 3.1Å; G269-Q272 CarbonylContact O-C 3.58Å; G269-Q272 PolarHBondContact O-N 3.26Å; G269-Q272 VanDerWaalsContact O-O 3.06Å; G269-N273 WeakPolarHBondContact O-CB 3.24Å; G269-N273 PolarHBondContact O-N 2.95Å
270	I	75.1	Confident	83.8	Confident	88 Å²	88	39.9 Å²	39.9	45%	0.451	22%	0.217	S	C	.	.	S	Bend	trans	-62.5	-44	-175.8	-58.9	172.9	0	0	0	111.9	I250	I250-I270 HydrophobicContact CG1-CG2 4.47Å
271	I	78.6	Confident	84.2	Confident	39 Å²	39	37.5 Å²	37.5	20%	0.2	20%	0.204	C	C	.	.	S	Bend	trans	-76.7	-48.5	177.2	-63.7	168.1	0	0	0	110	K164 Y212 D215 L216 F219 G269 N273	K164-I271 PolarHBondContact NZ-O 3.01Å; Y212-I271 HydrophobicContact CD2-CG1 4.47Å; D215-I271 HydrophobicContact CB-CD1 3.52Å; L216-I271 HydrophobicContact CD1-CG2 4.08Å; F219-I271 HydrophobicContact CB-CG2 3.67Å; F219-I271 HydrophobicContact CD1-CG2 3.49Å; F219-I271 VanDerWaalsContact CD1-CG2 3.49Å; F219-I271 HydrophobicContact CE1-CG2 4.33Å; F219-I271 HydrophobicContact CG-CG2 3.67Å; G269-I271 PolarHBondContact O-N 2.67Å; I271-N273 VanDerWaalsContact C-N 3.28Å; I271-N273 PolarHBondContact O-N 3.23Å; I271-N273 VanDerWaalsContact O-N 3.14Å
272	Q	85	Confident	84.1	Confident	80 Å²	80	42.7 Å²	42.7	37%	0.374	23%	0.227	S	C	.	.			trans	-86.1	61.9	177.9	-65.2	-171	-59.6	0	0	111.1	D166 F219 G267 T268 G269	D166-Q272 WeakPolarHBondContact OD2-CB 3.08Å; F219-Q272 HydrophobicContact CD2-CG 4.37Å; F219-Q272 HydrophobicContact CE1-CG 4.32Å; F219-Q272 HydrophobicContact CE2-CG 3.89Å; F219-Q272 HydrophobicContact CZ-CG 3.86Å; G267-Q272 CarbonylContact C-O 3.58Å; G267-Q272 WeakPolarHBondContact CA-O 3.49Å; T268-Q272 PolarHBondContact N-O 3.47Å; T268-Q272 WeakPolarHBondContact OG1-CB 3.3Å; T268-Q272 PolarHBondContact OG1-OE1 3Å; G269-Q272 PolarHBondContact N-O 2.77Å; G269-Q272 VanDerWaalsContact N-O 3.1Å; G269-Q272 CarbonylContact O-C 3.58Å; G269-Q272 PolarHBondContact O-N 3.26Å; G269-Q272 VanDerWaalsContact O-O 3.06Å
273	N	83	Confident	83.9	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.048	23%	0.231	C	C	.	.			trans	-99.2	27.2	-178.2	71.4	-5.4	0	0	0	113.2	K164 F251 R263 G269 I271 I275	K164-N273 WeakPolarHBondContact CD-OD1 3.29Å; K164-N273 WeakPolarHBondContact CE-OD1 3.23Å; K164-N273 PolarHBondContact NZ-OD1 2.82Å; F251-N273 HydrophobicContact CE1-CB 4.28Å; R263-N273 WeakPolarHBondContact CG-O 3.36Å; G269-N273 WeakPolarHBondContact O-CB 3.24Å; G269-N273 PolarHBondContact O-N 2.95Å; I271-N273 VanDerWaalsContact C-N 3.28Å; I271-N273 PolarHBondContact O-N 3.23Å; I271-N273 VanDerWaalsContact O-N 3.14Å; N273-I275 PolarHBondContact O-N 3.16Å
274	A	88.3	Confident	84	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	60.3	-52.6	179	0	0	0	0	0	117.1	K164 V167 I176	K164-A274 WeakPolarHBondContact CB-O 3.39Å; K164-A274 PolarHBondContact N-O 3.46Å; V167-A274 HydrophobicContact CG1-CB 3.64Å; V167-A274 VanDerWaalsContact CG2-O 3.27Å; V167-A274 WeakPolarHBondContact CG2-O 3.41Å; I176-A274 HydrophobicContact CD1-CB 4.15Å
275	I	92.1	Very high	84.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.3	-171.5	-169.7	167.7	0	0	0	111.9	A161 V162 L163 I176 L180 I246 I262 R263 N273	A161-I275 HydrophobicContact CB-CD1 4.08Å; A161-I275 HydrophobicContact CB-CG1 4.2Å; V162-I275 WeakPolarHBondContact O-CA 3.23Å; L163-I275 HydrophobicContact CD2-CB 4.18Å; L163-I275 HydrophobicContact CD2-CD1 3.85Å; L163-I275 HydrophobicContact CD2-CG1 4.04Å; I176-I275 HydrophobicContact CG2-CD1 4.2Å; L180-I275 HydrophobicContact CD1-CD1 4.2Å; I246-I275 HydrophobicContact CB-CG2 3.87Å; I246-I275 HydrophobicContact CG2-CD1 4Å; I246-I275 HydrophobicContact CG2-CG1 4.46Å; I246-I275 HydrophobicContact CG2-CG2 3.64Å; I262-I275 HydrophobicContact CG2-CG2 3.98Å; R263-I275 HydrophobicContact CG-CG2 4.02Å; R263-I275 VanDerWaalsContact CZ-O 3.31Å; R263-I275 PolarHBondContact NE-O 3.41Å; R263-I275 PolarHBondContact NH2-O 3.05Å; N273-I275 PolarHBondContact O-N 3.16Å
276	H	91.1	Very high	84.1	Confident	31 Å²	31	46.7 Å²	46.7	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	149.3	162.4	172.8	74	0	0	0	109.8	A161 V162 F203 E287	A161-H276 CarbonylContact C-O 3.06Å; A161-H276 WeakPolarHBondContact CA-O 3.28Å; A161-H276 WeakPolarHBondContact CB-O 3.28Å; V162-H276 HydrophobicContact CB-CB 4.24Å; V162-H276 PolarHBondContact N-O 2.69Å; V162-H276 PolarHBondContact O-N 3.05Å; F203-H276 AromaticContact CE1-CD2 3.65Å; F203-H276 AromaticContact CE1-NE2 3.79Å; F203-H276 AromaticContact CZ-CD2 3.91Å; H276-E287 IonicContact CD2-OE1 2.74Å; H276-E287 IonicContact CE1-OE1 2.66Å; H276-E287 IonicContact NE2-OE1 3.79Å; H276-E287 PolarHBondContact NE2-OE1 2.99Å; H276-E287 IonicContact NE2-OE2 3.59Å
277	A	88.6	Confident	84.3	Confident	9 Å²	9	44.2 Å²	44.2	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	150.3	174.5	0	0	0	0	0	109.6	A161 L242 I246	A161-A277 HydrophobicContact CB-CB 4.27Å; L242-A277 HydrophobicContact CD2-CB 3.67Å; L242-A277 HydrophobicContact CG-CB 4.14Å; I246-A277 HydrophobicContact CD1-CB 3.65Å
278	S	86.3	Confident	84.7	Confident	1 Å²	1	45 Å²	45	1%	0.007	24%	0.244	C	C	.	.			trans	-57.9	143.9	-175.2	-34.1	0	0	0	0	113.5	T159 L160 A284 E287	T159-S278 WeakPolarHBondContact OG1-CB 3.28Å; T159-S278 PolarHBondContact OG1-OG 3.15Å; T159-S278 VanDerWaalsContact OG1-OG 3.09Å; L160-S278 PolarHBondContact O-OG 2.87Å; S278-A284 VanDerWaalsContact OG-CA 3.28Å; S278-A284 WeakPolarHBondContact OG-CA 3.4Å; S278-E287 WeakPolarHBondContact CA-OE2 3.31Å; S278-E287 VanDerWaalsContact CB-OE2 3.27Å; S278-E287 WeakPolarHBondContact CB-OE2 3.21Å; S278-E287 PolarHBondContact OG-OE2 3.39Å
279	S	79.5	Confident	85	Confident	59 Å²	59	43.4 Å²	43.4	41%	0.413	24%	0.24	S	C	.	.	S	Bend	trans	-89.7	-21.9	-179.9	71.8	0	0	0	0	114.6	R243 E283	R243-S279 PolarHBondContact NH1-O 2.71Å; S279-E283 WeakPolarHBondContact CA-OE2 3.49Å; S279-E283 WeakPolarHBondContact CB-OE2 3.48Å; S279-E283 PolarHBondContact N-OE2 2.83Å; S279-E283 PolarHBondContact OG-OE2 3.36Å
280	S	83.6	Confident	85.6	Confident	40 Å²	40	45.7 Å²	45.7	28%	0.28	24%	0.242	S	C	.	.	S	Bend	trans	-150	167.9	179.5	84.1	0	0	0	0	112.3	E282 E283 A284	S280-E282 VanDerWaalsContact C-N 3.28Å; S280-E282 WeakPolarHBondContact CB-OE2 3.35Å; S280-E282 PolarHBondContact O-N 3.18Å; S280-E282 PolarHBondContact OG-N 3.15Å; S280-E282 PolarHBondContact OG-OE2 2.88Å; S280-E283 PolarHBondContact O-N 3.31Å; S280-E283 VanDerWaalsContact O-N 3.12Å; S280-E283 PolarHBondContact OG-N 2.66Å; S280-A284 PolarHBondContact O-N 2.95Å
281	K	84.4	Confident	86.2	Confident	111 Å²	111	42.5 Å²	42.5	48%	0.483	23%	0.225	S	C	.	.	H	α-helix	trans	-60.4	-36.3	178.8	-68.5	-168	178.9	-142.4	0	112.7	E157 I239 E283 A284 A285	E157-K281 WeakPolarHBondContact OE1-CE 3.26Å; E157-K281 IonicContact OE1-NZ 2.65Å; E157-K281 WeakPolarHBondContact OE2-CE 3.26Å; E157-K281 IonicContact OE2-NZ 4Å; E157-K281 PolarHBondContact OE2-NZ 3.33Å; I239-K281 HydrophobicContact CD1-CB 4.25Å; I239-K281 HydrophobicContact CD1-CG 3.78Å; K281-E283 VanDerWaalsContact C-N 3.32Å; K281-A284 PolarHBondContact O-N 3.32Å; K281-A285 WeakPolarHBondContact O-CB 3.37Å; K281-A285 PolarHBondContact O-N 2.85Å
282	E	83.7	Confident	86.6	Confident	125 Å²	125	42.3 Å²	42.3	58%	0.584	22%	0.222	S	C	*	.	H	α-helix	trans	-70.7	-31.1	178.4	-51.9	72.5	-157.8	0	0	111.4	S280 R286	S280-E282 VanDerWaalsContact C-N 3.28Å; S280-E282 WeakPolarHBondContact CB-OE2 3.35Å; S280-E282 PolarHBondContact O-N 3.18Å; S280-E282 PolarHBondContact OG-N 3.15Å; S280-E282 PolarHBondContact OG-OE2 2.88Å; E282-R286 WeakPolarHBondContact O-CG 3.41Å; E282-R286 PolarHBondContact O-N 3.46Å; E282-R286 PolarHBondContact O-NH1 2.71Å
283	E	84.6	Confident	86.4	Confident	19 Å²	19	43.7 Å²	43.7	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-73.5	-47.4	173.1	-172.3	158.7	-106	0	0	111.1	N206 S279 S280 K281 A285 R286 E287	N206-E283 PolarHBondContact ND2-OE1 2.71Å; S279-E283 WeakPolarHBondContact CA-OE2 3.49Å; S279-E283 WeakPolarHBondContact CB-OE2 3.48Å; S279-E283 PolarHBondContact N-OE2 2.83Å; S279-E283 PolarHBondContact OG-OE2 3.36Å; S280-E283 PolarHBondContact O-N 3.31Å; S280-E283 VanDerWaalsContact O-N 3.12Å; S280-E283 PolarHBondContact OG-N 2.66Å; K281-E283 VanDerWaalsContact C-N 3.32Å; E283-A285 VanDerWaalsContact C-N 3.3Å; E283-A285 PolarHBondContact O-N 2.96Å; E283-R286 PolarHBondContact O-N 3.05Å; E283-R286 IonicContact OE1-NH2 2.8Å; E283-R286 PolarHBondContact OE1-NH2 2.9Å; E283-E287 HydrophobicContact CG-CG 4.18Å; E283-E287 WeakPolarHBondContact O-CB 3.23Å; E283-E287 WeakPolarHBondContact O-CG 3.45Å; E283-E287 PolarHBondContact O-N 3.04Å
284	A	87.7	Confident	86.1	Confident	3 Å²	3	46.9 Å²	46.9	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-53.2	-45.4	173.8	0	0	0	0	0	112.5	I239 S278 S280 K281 R286 E287 L288	I239-A284 HydrophobicContact CD1-CB 3.68Å; I239-A284 HydrophobicContact CG1-CB 4.48Å; S278-A284 VanDerWaalsContact OG-CA 3.28Å; S278-A284 WeakPolarHBondContact OG-CA 3.4Å; S280-A284 PolarHBondContact O-N 2.95Å; K281-A284 PolarHBondContact O-N 3.32Å; A284-R286 PolarHBondContact O-N 2.8Å; A284-E287 PolarHBondContact O-N 3.44Å; A284-L288 WeakPolarHBondContact O-CB 3.31Å; A284-L288 PolarHBondContact O-N 2.81Å
285	A	86.3	Confident	85.8	Confident	61 Å²	61	50 Å²	50	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-37.3	177.5	0	0	0	0	0	113.3	K281 E283 A289	K281-A285 WeakPolarHBondContact O-CB 3.37Å; K281-A285 PolarHBondContact O-N 2.85Å; E283-A285 VanDerWaalsContact C-N 3.3Å; E283-A285 PolarHBondContact O-N 2.96Å; A285-A289 VanDerWaalsContact O-CB 3.23Å; A285-A289 WeakPolarHBondContact O-CB 3.27Å; A285-A289 PolarHBondContact O-N 3.16Å; A285-A289 VanDerWaalsContact O-N 3.11Å
286	R	85.4	Confident	85.2	Confident	124 Å²	124	58.2 Å²	58.2	47%	0.468	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-46.3	175.7	-71.6	-173.9	-41.9	-87.7	3.9	111.9	N206 E282 E283 A284 A289 F290	N206-R286 PolarHBondContact ND2-NH2 2.97Å; N206-R286 VanDerWaalsContact ND2-NH2 3.17Å; E282-R286 WeakPolarHBondContact O-CG 3.41Å; E282-R286 PolarHBondContact O-N 3.46Å; E282-R286 PolarHBondContact O-NH1 2.71Å; E283-R286 PolarHBondContact O-N 3.05Å; E283-R286 IonicContact OE1-NH2 2.8Å; E283-R286 PolarHBondContact OE1-NH2 2.9Å; A284-R286 PolarHBondContact O-N 2.8Å; R286-A289 PolarHBondContact O-N 3.04Å; R286-F290 WeakPolarHBondContact O-CB 3.48Å; R286-F290 PolarHBondContact O-N 2.83Å
287	E	90.3	Very high	84.7	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-43.3	-179.4	-69.1	-178.7	157.1	0	0	111	L160 F203 H276 S278 E283 A284 F290 F291	L160-E287 HydrophobicContact CB-CB 4.13Å; L160-E287 HydrophobicContact CD2-CB 4.27Å; F203-E287 HydrophobicContact CD2-CG 4.5Å; F203-E287 HydrophobicContact CE2-CB 3.83Å; F203-E287 HydrophobicContact CE2-CG 3.6Å; F203-E287 HydrophobicContact CZ-CB 4.25Å; F203-E287 HydrophobicContact CZ-CG 3.79Å; H276-E287 IonicContact CD2-OE1 2.74Å; H276-E287 IonicContact CE1-OE1 2.66Å; H276-E287 IonicContact NE2-OE1 3.79Å; H276-E287 PolarHBondContact NE2-OE1 2.99Å; H276-E287 IonicContact NE2-OE2 3.59Å; S278-E287 WeakPolarHBondContact CA-OE2 3.31Å; S278-E287 VanDerWaalsContact CB-OE2 3.27Å; S278-E287 WeakPolarHBondContact CB-OE2 3.21Å; S278-E287 PolarHBondContact OG-OE2 3.39Å; E283-E287 HydrophobicContact CG-CG 4.18Å; E283-E287 WeakPolarHBondContact O-CB 3.23Å; E283-E287 WeakPolarHBondContact O-CG 3.45Å; E283-E287 PolarHBondContact O-N 3.04Å; A284-E287 PolarHBondContact O-N 3.44Å; E287-F290 WeakPolarHBondContact O-CB 3.46Å; E287-F290 PolarHBondContact O-N 3.41Å; E287-F291 PolarHBondContact O-N 3.23Å
288	L	89.5	Confident	84.4	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-47.8	174	-177.2	64	0	0	0	111.4	L158 V229 A284 F290 F291 Y292 Y295	L158-L288 HydrophobicContact CB-CD2 4.27Å; L158-L288 HydrophobicContact CD1-CD2 3.96Å; V229-L288 HydrophobicContact CB-CD1 4.45Å; V229-L288 HydrophobicContact CG1-CD1 3.93Å; V229-L288 HydrophobicContact CG2-CD1 3.62Å; A284-L288 WeakPolarHBondContact O-CB 3.31Å; A284-L288 PolarHBondContact O-N 2.81Å; L288-F290 PolarHBondContact O-N 2.83Å; L288-F291 PolarHBondContact O-N 2.87Å; L288-Y292 HydrophobicContact CD1-CD2 4.08Å; L288-Y292 HydrophobicContact CD1-CG 4.46Å; L288-Y292 CarbonylContact O-C 3.57Å; L288-Y292 WeakPolarHBondContact O-CA 3.05Å; L288-Y292 PolarHBondContact O-N 3.19Å; L288-Y295 HydrophobicContact CD2-CD1 4.27Å
289	A	87.7	Confident	84.3	Confident	58 Å²	58	65.2 Å²	65.2	48%	0.479	37%	0.369	S	S	.	.	H	α-helix	trans	-67.1	-21.6	179.2	0	0	0	0	0	114	A285 R286	A285-A289 VanDerWaalsContact O-CB 3.23Å; A285-A289 WeakPolarHBondContact O-CB 3.27Å; A285-A289 PolarHBondContact O-N 3.16Å; A285-A289 VanDerWaalsContact O-N 3.11Å; R286-A289 PolarHBondContact O-N 3.04Å
290	F	87.6	Confident	84.4	Confident	76 Å²	76	63.5 Å²	63.5	33%	0.333	36%	0.355	S	S	.	.	H	α-helix	trans	-71.1	-40.9	174.8	-176.4	-89.9	0	0	0	112	E199 I202 F203 R286 E287 L288	E199-F290 HydrophobicContact CB-CZ 4.06Å; E199-F290 HydrophobicContact CG-CZ 4.17Å; I202-F290 HydrophobicContact CB-CE2 4.28Å; I202-F290 HydrophobicContact CG2-CD2 4.37Å; I202-F290 HydrophobicContact CG2-CE2 3.73Å; F203-F290 HydrophobicContact CB-CE1 4.5Å; F203-F290 HydrophobicContact CD2-CD1 4.06Å; F203-F290 HydrophobicContact CD2-CE1 4.32Å; F203-F290 HydrophobicContact CD2-CG 4.47Å; R286-F290 WeakPolarHBondContact O-CB 3.48Å; R286-F290 PolarHBondContact O-N 2.83Å; E287-F290 WeakPolarHBondContact O-CB 3.46Å; E287-F290 PolarHBondContact O-N 3.41Å; L288-F290 PolarHBondContact O-N 2.83Å
291	F	87.8	Confident	84.3	Confident	21 Å²	21	65 Å²	65	9%	0.092	36%	0.363	C	S	.	.	H	α-helix	trans	-97	-29.3	-177.9	-75.2	-64.8	0	0	0	114.9	L160 Q191 H193 F195 F203 I227 E287 L288	L160-F291 HydrophobicContact CD1-CB 4.1Å; L160-F291 HydrophobicContact CD1-CD2 3.69Å; L160-F291 HydrophobicContact CD1-CG 4.32Å; L160-F291 HydrophobicContact CD2-CD2 4.1Å; L160-F291 HydrophobicContact CD2-CE2 4.29Å; Q191-F291 PolarHBondContact NE2-O 2.79Å; H193-F291 HydrophobicContact CB-CE1 4.23Å; H193-F291 AromaticContact CD2-CE1 3.72Å; H193-F291 AromaticContact CG-CE1 3.77Å; F195-F291 AromaticContact CE1-CZ 3.75Å; F195-F291 HydrophobicContact CE1-CZ 3.75Å; F195-F291 HydrophobicContact CZ-CE2 4.41Å; F195-F291 AromaticContact CZ-CZ 3.65Å; F195-F291 HydrophobicContact CZ-CZ 3.65Å; F203-F291 AromaticContact CD2-CE2 3.7Å; F203-F291 HydrophobicContact CD2-CE2 3.7Å; F203-F291 HydrophobicContact CD2-CZ 4.3Å; F203-F291 HydrophobicContact CE2-CD2 4.15Å; F203-F291 AromaticContact CE2-CE2 3.47Å; F203-F291 HydrophobicContact CE2-CE2 3.47Å; F203-F291 VanDerWaalsContact CE2-CE2 3.47Å; F203-F291 HydrophobicContact CE2-CZ 4.42Å; F203-F291 HydrophobicContact CZ-CE2 4.22Å; I227-F291 HydrophobicContact CD1-CD2 4.43Å; I227-F291 HydrophobicContact CD1-CE1 4.05Å; I227-F291 HydrophobicContact CD1-CE2 3.87Å; I227-F291 HydrophobicContact CD1-CZ 3.67Å; I227-F291 HydrophobicContact CG1-CD1 4.25Å; I227-F291 HydrophobicContact CG1-CE1 4.14Å; I227-F291 HydrophobicContact CG1-CE2 4.46Å; I227-F291 HydrophobicContact CG1-CZ 4.24Å; I227-F291 HydrophobicContact CG2-CB 4.3Å; I227-F291 HydrophobicContact CG2-CD2 3.95Å; I227-F291 HydrophobicContact CG2-CE2 4.41Å; I227-F291 HydrophobicContact CG2-CG 4.02Å; E287-F291 PolarHBondContact O-N 3.23Å; L288-F291 PolarHBondContact O-N 2.87Å
292	Y	85.2	Confident	83.9	Confident	34 Å²	34	61.1 Å²	61.1	13%	0.133	35%	0.349	C	S	.	.	S	Bend	trans	-131.1	67.1	-177.1	-61.9	-91.9	0	0	0	110.1	L160 E189 Q191 I227 V229 L288 G294 Y295	L160-Y292 HydrophobicContact CD1-CD2 4.45Å; E189-Y292 HydrophobicContact CB-CE1 3.89Å; E189-Y292 HydrophobicContact CG-CE1 4.12Å; Q191-Y292 WeakPolarHBondContact CG-OH 3.43Å; Q191-Y292 VanDerWaalsContact NE2-CZ 3.31Å; I227-Y292 HydrophobicContact CG2-CE2 4.11Å; V229-Y292 HydrophobicContact CG2-CD2 3.79Å; V229-Y292 HydrophobicContact CG2-CE2 3.5Å; L288-Y292 HydrophobicContact CD1-CD2 4.08Å; L288-Y292 HydrophobicContact CD1-CG 4.46Å; L288-Y292 CarbonylContact O-C 3.57Å; L288-Y292 WeakPolarHBondContact O-CA 3.05Å; L288-Y292 PolarHBondContact O-N 3.19Å; Y292-G294 PolarHBondContact O-N 3.09Å; Y292-G294 VanDerWaalsContact O-N 3.11Å; Y292-Y295 WeakPolarHBondContact O-CB 3.35Å; Y292-Y295 PolarHBondContact O-N 3.18Å; Y292-Y295 VanDerWaalsContact O-N 3.11Å
293	P	80.8	Confident	83.4	Confident	109 Å²	109	63 Å²	63	71%	0.708	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	113.7	-178.4	26.1	-34.8	0	0	0	111.1
294	G	76.8	Confident	82.6	Confident	77 Å²	77	68.8 Å²	68.8	79%	0.794	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	16	-176.9	0	0	0	0	0	115.1	Y292 E296	Y292-G294 PolarHBondContact O-N 3.09Å; Y292-G294 VanDerWaalsContact O-N 3.11Å; G294-E296 PolarHBondContact O-N 2.89Å
295	Y	83.3	Confident	80.9	Confident	66 Å²	66	74.9 Å²	74.9	26%	0.259	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.7	119.9	169.9	-161.3	-92.8	0	0	0	111.1	L158 L188 E189 V229 L288 Y292	L158-Y295 HydrophobicContact CD1-CD1 3.81Å; L158-Y295 HydrophobicContact CD1-CE1 3.57Å; L188-Y295 WeakPolarHBondContact CB-OH 3.45Å; E189-Y295 HydrophobicContact CG-CD2 4.5Å; E189-Y295 HydrophobicContact CG-CE2 3.55Å; V229-Y295 HydrophobicContact CG1-CE1 4.48Å; L288-Y295 HydrophobicContact CD2-CD1 4.27Å; Y292-Y295 WeakPolarHBondContact O-CB 3.35Å; Y292-Y295 PolarHBondContact O-N 3.18Å; Y292-Y295 VanDerWaalsContact O-N 3.11Å
296	E	79	Confident	78.7	Confident	171 Å²	171	80 Å²	80	80%	0.799	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-91.8	125	175	-66	-175.9	164.4	0	0	109.5	G294	G294-E296 PolarHBondContact O-N 2.89Å
297	P	81.1	Confident	76.4	Confident	46 Å²	46	79.7 Å²	79.7	30%	0.299	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62.9	139.3	177.2	-22.5	33.5	0	0	0	112.2	E155 L158	E155-P297 HydrophobicContact CB-CB 4.31Å; L158-P297 HydrophobicContact CD1-CB 3.98Å; L158-P297 HydrophobicContact CD1-CG 4.19Å; L158-P297 HydrophobicContact CG-CB 4.25Å
298	P	82.3	Confident	73.4	Confident	46 Å²	46	85.2 Å²	85.2	30%	0.299	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-63.7	142.9	173.6	28.1	-35	0	0	0	110.7	Q156 L188	Q156-P298 HydrophobicContact CB-CG 4.06Å; Q156-P298 VanDerWaalsContact CB-O 3.27Å; Q156-P298 WeakPolarHBondContact CB-O 3.32Å; Q156-P298 PolarHBondContact N-O 2.88Å; Q156-P298 VanDerWaalsContact OE1-CG 3.29Å; L188-P298 HydrophobicContact CD1-CG 3.92Å
299	V	83.5	Confident	70.6	Confident	96 Å²	96	88.6 Å²	88.6	58%	0.582	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.6	174.2	179.3	0	0	0	0	109.3	E153 I154	E153-V299 HydrophobicContact CB-CG1 3.87Å; I154-V299 WeakPolarHBondContact O-CA 3.41Å
300	I	82.2	Confident	68	Low	23 Å²	23	94.9 Å²	94.9	12%	0.118	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.3	175.2	56.6	163.5	0	0	0	111.1	I154 Q156 V302	I154-I300 HydrophobicContact CG1-CG1 4.24Å; I154-I300 PolarHBondContact N-O 3.48Å; I154-I300 PolarHBondContact O-N 2.68Å; Q156-I300 HydrophobicContact CB-CD1 4.19Å; Q156-I300 HydrophobicContact CB-CG1 4.05Å; Q156-I300 HydrophobicContact CB-CG2 4.11Å; Q156-I300 HydrophobicContact CG-CD1 3.91Å; Q156-I300 HydrophobicContact CG-CG1 4.3Å; Q156-I300 HydrophobicContact CG-CG2 4.22Å; I300-V302 HydrophobicContact CD1-CG1 3.76Å; I300-V302 HydrophobicContact CG1-CG1 4.1Å
301	T	80.4	Confident	65.5	Low	72 Å²	72	99.1 Å²	99.1	44%	0.442	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.3	170.2	-44.6	0	0	0	0	109	E151	E151-T301 HydrophobicContact CB-CG2 3.69Å; E151-T301 HydrophobicContact CG-CG2 4.02Å; E151-T301 WeakPolarHBondContact OE2-CG2 3.47Å
302	V	76.3	Confident	62.9	Low	30 Å²	30	105.9 Å²	105.9	18%	0.182	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	156.4	175.6	-59.9	0	0	0	0	111.2	E151 E152 I154 I300	E151-V302 WeakPolarHBondContact CA-O 3.2Å; E152-V302 PolarHBondContact N-O 2.87Å; E152-V302 WeakPolarHBondContact O-CG2 3.42Å; E152-V302 PolarHBondContact O-N 3.42Å; I154-V302 HydrophobicContact CD1-CB 4.41Å; I154-V302 HydrophobicContact CD1-CG1 3.92Å; I154-V302 HydrophobicContact CD1-CG2 3.59Å; I154-V302 HydrophobicContact CG1-CG1 4.08Å; I154-V302 HydrophobicContact CG1-CG2 3.91Å; I300-V302 HydrophobicContact CD1-CG1 3.76Å; I300-V302 HydrophobicContact CG1-CG1 4.1Å
303	K	73.9	Confident	60.3	Low	163 Å²	163	113.7 Å²	113.7	71%	0.709	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.5	131.8	167.4	-70	-164.4	174.9	-163.9	0	110.1	E150 T305	E150-K303 CarbonylContact O-C 3.52Å; E150-K303 WeakPolarHBondContact O-CA 3.18Å; K303-T305 PolarHBondContact O-N 3.18Å
304	R	66.7	Low	57.9	Low	142 Å²	142	116.3 Å²	116.3	54%	0.536	61%	0.609	S	S	.	*			trans	-71.6	90.2	-176.3	-170.8	175.3	-142.2	-177.3	10.9	111.6	E150 E152 Q306	E150-R304 WeakPolarHBondContact O-CB 3.32Å; E150-R304 PolarHBondContact O-N 3.06Å; E152-R304 HydrophobicContact CB-CB 4.49Å; E152-R304 IonicContact OE1-NH2 3.95Å; E152-R304 IonicContact OE2-CZ 3.29Å; E152-R304 VanDerWaalsContact OE2-CZ 3.24Å; E152-R304 IonicContact OE2-NE 2.7Å; E152-R304 PolarHBondContact OE2-NE 3.43Å; E152-R304 IonicContact OE2-NH2 3.93Å; E152-R304 PolarHBondContact OE2-NH2 3.16Å; R304-Q306 PolarHBondContact O-N 2.93Å
305	T	52.8	Low	55.7	Low	131 Å²	131	119.1 Å²	119.1	80%	0.804	61%	0.611	S	S	*	*			trans	-63.3	108.1	169.9	52.2	0	0	0	0	109.8	K303	K303-T305 PolarHBondContact O-N 3.18Å
306	Q	40.3	Very low	53.3	Low	167 Å²	167	122.3 Å²	122.3	78%	0.78	64%	0.637	S	S	*	*			trans	-60.3	137.4	171.6	-65.7	-168.8	25.9	0	0	109.8	R304 V308	R304-Q306 PolarHBondContact O-N 2.93Å; Q306-V308 PolarHBondContact O-N 2.92Å; Q306-V308 VanDerWaalsContact O-N 3.11Å
307	P	36	Very low	51	Low	118 Å²	118	123.2 Å²	123.2	77%	0.766	64%	0.641	S	S	*	*			trans	-67.1	113	172.8	27.8	-32.8	0	0	0	109	S309	P307-S309 PolarHBondContact O-N 2.73Å
308	V	28.4	Very low	48.7	Very low	127 Å²	127	125.5 Å²	125.5	77%	0.77	66%	0.664	S	S	*	*			trans	-72.5	80.7	177.5	-175.4	0	0	0	0	109.7	Q306 K310	Q306-V308 PolarHBondContact O-N 2.92Å; Q306-V308 VanDerWaalsContact O-N 3.11Å; V308-K310 HydrophobicContact CG1-CG 4.37Å; V308-K310 PolarHBondContact O-N 3.28Å
309	S	30.5	Very low	46.3	Very low	88 Å²	88	129.9 Å²	129.9	62%	0.615	69%	0.69	S	S	*	*			trans	-69.5	105.4	166.9	42.5	0	0	0	0	109.1	P307 E311	P307-S309 PolarHBondContact O-N 2.73Å; S309-E311 PolarHBondContact O-N 2.89Å
310	K	32.7	Very low	43.8	Very low	189 Å²	189	128.2 Å²	128.2	82%	0.822	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	43.4	-173	-61	-173.5	174	-173.3	0	114.4	V308	V308-K310 HydrophobicContact CG1-CG 4.37Å; V308-K310 PolarHBondContact O-N 3.28Å
311	E	35.5	Very low	41.7	Very low	165 Å²	165	134.8 Å²	134.8	77%	0.771	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	2.2	-167	-62.2	-167.6	149.8	0	0	115	S309	S309-E311 PolarHBondContact O-N 2.89Å
312	H	33.9	Very low	40	Very low	164 Å²	164	137.9 Å²	137.9	76%	0.759	73%	0.729	S	S	*	*			trans	-133	34	-178.5	-77.6	74.4	0	0	0	114.3	E314	H312-E314 PolarHBondContact O-N 3.42Å
313	E	29.6	Very low	39.2	Very low	198 Å²	198	144.8 Å²	144.8	93%	0.925	76%	0.76	S	S	*	*			trans	-75.3	47.6	165.9	-70.7	-170.1	138.1	0	0	112.4
314	E	30.6	Very low	39.3	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.762	75%	0.752	S	S	*	*	S	Bend	trans	-158.3	137.5	169.2	-117.7	168.5	-150.5	0	0	111.5	H312	H312-E314 PolarHBondContact O-N 3.42Å
315	T	31.1	Very low	40.1	Very low	136 Å²	136	139.4 Å²	139.4	83%	0.834	75%	0.745	S	S	*	*			trans	72.8	51.3	165.4	69.2	0	0	0	0	121.1
316	V	33.5	Very low	41.7	Very low	134 Å²	134	140.3 Å²	140.3	81%	0.812	73%	0.734	S	S	*	*			trans	-129.8	91.3	151.5	-170.5	0	0	0	0	111.9
317	H	30.2	Very low	44.1	Very low	190 Å²	190	132.4 Å²	132.4	88%	0.88	70%	0.697	S	S	*	*			trans	-94.2	148	157.8	-82.5	-57.3	0	0	0	109.8
318	A	31.5	Very low	46.7	Very low	94 Å²	94	126.8 Å²	126.8	78%	0.777	66%	0.66	S	S	*	*	S	Bend	trans	67.2	70.6	165.7	0	0	0	0	0	118.3
319	T	31.7	Very low	49.8	Very low	138 Å²	138	120.7 Å²	120.7	85%	0.847	62%	0.624	S	S	*	*				-167.7	85.6	129.3	39	0	0	0	0	108.8
320	G	31.6	Very low	52.8	Low	61 Å²	61	116.5 Å²	116.5	63%	0.629	59%	0.594	S	S	*	*			trans	-82.1	145.2	179.9	0	0	0	0	0	113
321	K	39.2	Very low	55.6	Low	160 Å²	160	107.5 Å²	107.5	70%	0.696	56%	0.555	S	S	*	*			trans	-61.1	130.7	147.5	-74.9	-176.3	175.4	-177.3	0	105.7	E149 E323	E149-K321 IonicContact OE2-NZ 3.33Å; E149-K321 PolarHBondContact OE2-NZ 3.33Å; K321-E323 PolarHBondContact O-N 2.75Å
322	H	43.7	Very low	58.3	Low	138 Å²	138	100.2 Å²	100.2	64%	0.639	52%	0.521	S	S	*	.			trans	-76.2	92.4	178.9	-77	-125.1	0	0	0	108.7	E400	H322-E400 HydrophobicContact CB-CG 4.27Å; H322-E400 IonicContact CE1-OE2 2.71Å; H322-E400 IonicContact CG-OE1 2.68Å; H322-E400 IonicContact CG-OE2 2.66Å; H322-E400 IonicContact ND1-OE1 2.68Å; H322-E400 IonicContact ND1-OE2 2.69Å; H322-E400 PolarHBondContact ND1-OE2 2.91Å
323	E	59.1	Low	60.9	Low	175 Å²	175	92.9 Å²	92.9	82%	0.818	49%	0.487	S	S	*	.			trans	-78.1	130.7	-179.1	-164.5	154.6	-146.2	0	0	110	K321 E325	K321-E323 PolarHBondContact O-N 2.75Å; E323-E325 PolarHBondContact O-N 2.82Å; E323-E325 VanDerWaalsContact O-N 3.1Å
324	I	76.7	Confident	63.7	Low	108 Å²	108	85.5 Å²	85.5	55%	0.554	45%	0.453	S	S	*	.			trans	-81.6	97.3	-173.1	-57.3	177.3	0	0	0	109	A398	I324-A398 HydrophobicContact CG2-CB 3.97Å
325	E	83.7	Confident	66.5	Low	83 Å²	83	77.8 Å²	77.8	39%	0.388	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	151.1	169.9	-73.5	-177.8	-149.3	0	0	111.5	E323 A398 R399 D401 A402 V403	E323-E325 PolarHBondContact O-N 2.82Å; E323-E325 VanDerWaalsContact O-N 3.1Å; E325-A398 WeakPolarHBondContact O-CA 3.23Å; E325-R399 PolarHBondContact N-O 2.86Å; E325-R399 VanDerWaalsContact N-O 3.13Å; E325-R399 PolarHBondContact O-N 3.09Å; E325-R399 VanDerWaalsContact O-N 3.16Å; E325-R399 VanDerWaalsContact O-O 3.08Å; E325-D401 WeakPolarHBondContact OE1-CA 3.48Å; E325-A402 HydrophobicContact CB-CB 3.63Å; E325-A402 WeakPolarHBondContact O-CB 3.48Å; E325-A402 PolarHBondContact OE2-N 2.93Å; E325-A402 VanDerWaalsContact OE2-N 3.08Å; E325-V403 WeakPolarHBondContact OE2-CG2 3.38Å; E325-V403 PolarHBondContact OE2-N 2.9Å
326	R	85.7	Confident	69.4	Low	151 Å²	151	74.4 Å²	74.4	57%	0.57	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.4	170.3	-61.1	-175.2	-178.8	103.8	-0.6	109.8	L396 L397 A398 V452	R326-L396 HydrophobicContact CB-CD1 4.18Å; R326-L397 CarbonylContact C-O 3.53Å; R326-L397 VanDerWaalsContact CA-O 3.23Å; R326-L397 WeakPolarHBondContact CA-O 3.47Å; R326-A398 HydrophobicContact CG-CB 4.44Å; R326-V452 WeakPolarHBondContact O-CG1 3.32Å
327	T	91.4	Very high	72.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157	172.5	-167.6	0	0	0	0	110.5	F352 L397 A402 W406	T327-F352 HydrophobicContact CG2-CE1 4.43Å; T327-L397 HydrophobicContact CG2-CB 3.98Å; T327-L397 HydrophobicContact CG2-CD1 4.41Å; T327-L397 PolarHBondContact N-O 3.5Å; T327-L397 PolarHBondContact O-N 3.06Å; T327-A402 HydrophobicContact CG2-CB 4.15Å; T327-W406 HydrophobicContact CG2-CB 3.8Å; T327-W406 HydrophobicContact CG2-CG 4.02Å
328	V	90.5	Very high	74.9	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.5	177.7	-176.7	0	0	0	0	110	V330 L395 L396 W406 G445 D455 I456 F459 F460	V328-V330 HydrophobicContact CG1-CG2 3.77Å; V328-L395 WeakPolarHBondContact CA-O 3.23Å; V328-L396 HydrophobicContact CG2-CD1 4.23Å; V328-W406 PolarHBondContact O-NE1 3.07Å; V328-G445 WeakPolarHBondContact O-CA 3.2Å; V328-D455 HydrophobicContact CB-CB 3.79Å; V328-D455 HydrophobicContact CG1-CB 4.2Å; V328-D455 HydrophobicContact CG2-CB 3.77Å; V328-I456 HydrophobicContact CG2-CG1 3.63Å; V328-F459 HydrophobicContact CG1-CD2 4.01Å; V328-F460 HydrophobicContact CG1-CE2 4.25Å
329	A	93.4	Very high	77.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.8	168.3	0	0	0	0	0	109.1	L395 L397 W406	A329-L395 HydrophobicContact CB-CB 4.24Å; A329-L395 PolarHBondContact N-O 2.69Å; A329-L395 PolarHBondContact O-N 3.25Å; A329-L397 HydrophobicContact CB-CD1 3.69Å; A329-L397 HydrophobicContact CB-CG 4.02Å; A329-W406 HydrophobicContact CB-CD2 4.27Å; A329-W406 VanDerWaalsContact CB-CE2 3.4Å; A329-W406 HydrophobicContact CB-CH2 3.95Å; A329-W406 HydrophobicContact CB-CZ2 3.25Å
330	V	92.7	Very high	80.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	114	175.7	-168.7	0	0	0	0	110.4	V328 C392 L393 H444 F459	V328-V330 HydrophobicContact CG1-CG2 3.77Å; V330-C392 HydrophobicContact CG1-CB 3.95Å; V330-L393 WeakPolarHBondContact CA-O 3.3Å; V330-H444 HydrophobicContact CB-CB 4.2Å; V330-H444 PolarHBondContact N-O 3.34Å; V330-H444 PolarHBondContact O-N 3.07Å; V330-F459 HydrophobicContact CG1-CE1 4.3Å; V330-F459 HydrophobicContact CG1-CZ 4.35Å; V330-F459 HydrophobicContact CG2-CD2 3.97Å; V330-F459 HydrophobicContact CG2-CE1 4.26Å; V330-F459 HydrophobicContact CG2-CE2 3.65Å; V330-F459 HydrophobicContact CG2-CG 4.46Å; V330-F459 HydrophobicContact CG2-CZ 3.81Å
331	L	93	Very high	83.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115	166.9	-68.3	62.5	0	0	0	107	A335 K340 I343 C392 L393 L395 L443	L331-A335 HydrophobicContact CB-CB 4.07Å; L331-A335 HydrophobicContact CG-CB 4.47Å; L331-K340 HydrophobicContact CD2-CG 4.41Å; L331-I343 HydrophobicContact CD1-CG2 4.12Å; L331-I343 HydrophobicContact CD2-CB 4.31Å; L331-I343 HydrophobicContact CD2-CD1 4.3Å; L331-I343 HydrophobicContact CD2-CG2 4.21Å; L331-I343 HydrophobicContact CG-CD1 4.4Å; L331-I343 HydrophobicContact CG-CG2 4.19Å; L331-C392 WeakPolarHBondContact O-CA 3.4Å; L331-C392 WeakPolarHBondContact O-CB 3.42Å; L331-L393 HydrophobicContact CB-CB 4.16Å; L331-L393 HydrophobicContact CD2-CD2 4.24Å; L331-L393 PolarHBondContact N-O 3.36Å; L331-L393 PolarHBondContact O-N 3.43Å; L331-L395 HydrophobicContact CD1-CD1 4.03Å; L331-L443 HydrophobicContact CB-CD2 4.2Å; L331-L443 HydrophobicContact CD1-CD2 4.12Å; L331-L443 HydrophobicContact CG-CD2 3.71Å
332	R	91.6	Very high	86	Confident	12 Å²	12	63.4 Å²	63.4	5%	0.045	29%	0.293	C	S	.	.			trans	-65.9	162.4	173.5	-59.1	-163.4	162.8	131.9	1.1	109.9	Q334 A335 Y336 Y371 M387 N441 L442	R332-Q334 VanDerWaalsContact C-N 3.32Å; R332-Q334 PolarHBondContact O-N 3.05Å; R332-Q334 VanDerWaalsContact O-N 3.07Å; R332-A335 WeakPolarHBondContact O-CA 2.83Å; R332-A335 WeakPolarHBondContact O-CB 3.47Å; R332-A335 PolarHBondContact O-N 3.26Å; R332-Y336 PolarHBondContact O-N 3.49Å; R332-Y371 PolarHBondContact NH2-OH 2.75Å; R332-M387 HydrophobicContact CB-SD 4.13Å; R332-M387 WeakPolarHBondContact CD-SD 3.39Å; R332-M387 HydrophobicContact CG-SD 3.49Å; R332-M387 WeakPolarHBondContact CG-SD 3.46Å; R332-M387 PolarHBondContact NE-SD 2.86Å; R332-N441 WeakPolarHBondContact CD-O 3.43Å; R332-N441 PolarHBondContact NH1-O 3.32Å; R332-N441 PolarHBondContact NH1-OD1 2.76Å; R332-L442 WeakPolarHBondContact CB-O 3.43Å; R332-L442 WeakPolarHBondContact CG-O 3.49Å; R332-L442 PolarHBondContact N-O 3.41Å
333	P	89.6	Confident	88.3	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-40.8	-160.8	-30.2	38.9	0	0	0	114.8	A335 Y336 E337 V386 G390 P391 C392	P333-A335 PolarHBondContact O-N 3.38Å; P333-Y336 PolarHBondContact O-N 3.21Å; P333-E337 WeakPolarHBondContact O-CB 3.46Å; P333-E337 PolarHBondContact O-N 3.19Å; P333-V386 WeakPolarHBondContact CG-O 3.19Å; P333-G390 WeakPolarHBondContact CG-O 3.36Å; P333-P391 VanDerWaalsContact CA-O 3.29Å; P333-P391 WeakPolarHBondContact CA-O 3.33Å; P333-P391 WeakPolarHBondContact CB-O 3.41Å; P333-C392 VanDerWaalsContact CD-SG 3.59Å
334	Q	87.8	Confident	89.9	Confident	44 Å²	44	49 Å²	49	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-69.6	-27.8	176	-173.7	170.8	7.5	0	0	114.4	R332 L338 L442	R332-Q334 VanDerWaalsContact C-N 3.32Å; R332-Q334 PolarHBondContact O-N 3.05Å; R332-Q334 VanDerWaalsContact O-N 3.07Å; Q334-L338 HydrophobicContact CG-CD1 3.58Å; Q334-L338 HydrophobicContact CG-CG 4.09Å; Q334-L338 VanDerWaalsContact O-CB 3.3Å; Q334-L338 WeakPolarHBondContact O-CB 3.49Å; Q334-L338 WeakPolarHBondContact O-CG 3.36Å; Q334-L338 PolarHBondContact O-N 3.07Å; Q334-L442 HydrophobicContact CB-CD2 4.14Å
335	A	89.4	Confident	90.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-74.7	-34.2	170.8	0	0	0	0	0	112.2	L331 R332 P333 Y339 K340 I343 L442 L443	L331-A335 HydrophobicContact CB-CB 4.07Å; L331-A335 HydrophobicContact CG-CB 4.47Å; R332-A335 WeakPolarHBondContact O-CA 2.83Å; R332-A335 WeakPolarHBondContact O-CB 3.47Å; R332-A335 PolarHBondContact O-N 3.26Å; P333-A335 PolarHBondContact O-N 3.38Å; A335-Y339 CarbonylContact O-C 3.58Å; A335-Y339 VanDerWaalsContact O-C 3.31Å; A335-Y339 WeakPolarHBondContact O-CA 3.21Å; A335-Y339 PolarHBondContact O-N 3.21Å; A335-K340 PolarHBondContact O-N 2.92Å; A335-K340 VanDerWaalsContact O-N 3.17Å; A335-I343 HydrophobicContact CB-CD1 4.16Å; A335-L442 HydrophobicContact CB-CB 3.87Å; A335-L442 HydrophobicContact CB-CD1 4.47Å; A335-L443 HydrophobicContact CB-CD2 4.28Å
336	Y	91.9	Very high	91.1	Very high	66 Å²	66	49 Å²	49	26%	0.259	22%	0.222	S	C	.	.	H	α-helix	trans	-69.1	-37.4	172.8	176.4	-134.2	0	0	0	111.9	R332 P333 K340 A359 P391 L393	R332-Y336 PolarHBondContact O-N 3.49Å; P333-Y336 PolarHBondContact O-N 3.21Å; Y336-K340 HydrophobicContact CD2-CB 4.31Å; Y336-K340 HydrophobicContact CD2-CD 4.15Å; Y336-K340 HydrophobicContact CD2-CG 4.05Å; Y336-K340 HydrophobicContact CE2-CD 3.91Å; Y336-K340 HydrophobicContact CE2-CG 4.31Å; Y336-K340 WeakPolarHBondContact O-CB 3.45Å; Y336-A359 HydrophobicContact CE1-CB 4.23Å; Y336-P391 HydrophobicContact CD1-CB 4.23Å; Y336-P391 HydrophobicContact CD1-CG 4.05Å; Y336-P391 WeakPolarHBondContact CD1-O 3.5Å; Y336-P391 HydrophobicContact CE1-CB 4.02Å; Y336-P391 HydrophobicContact CE1-CG 3.91Å; Y336-L393 HydrophobicContact CD2-CB 3.57Å; Y336-L393 HydrophobicContact CD2-CD1 4.22Å; Y336-L393 HydrophobicContact CD2-CD2 3.97Å; Y336-L393 HydrophobicContact CD2-CG 4.15Å; Y336-L393 HydrophobicContact CE2-CB 3.99Å; Y336-L393 HydrophobicContact CE2-CD1 3.75Å; Y336-L393 HydrophobicContact CE2-CD2 4.07Å; Y336-L393 HydrophobicContact CE2-CG 4.17Å; Y336-L393 HydrophobicContact CG-CB 3.87Å
337	E	89.2	Confident	91.5	Very high	153 Å²	153	41.8 Å²	41.8	72%	0.715	20%	0.195	S	C	*	.	H	α-helix	trans	-71.8	-43.7	177.4	-174.6	-179.3	-160.8	0	0	113.1	P333	P333-E337 WeakPolarHBondContact O-CB 3.46Å; P333-E337 PolarHBondContact O-N 3.19Å
338	L	89.2	Confident	91.5	Very high	79 Å²	79	47.7 Å²	47.7	41%	0.414	22%	0.221	S	C	.	.	H	α-helix	trans	-104.5	-21.8	-168.9	-59	-178	0	0	0	115.6	Q334	Q334-L338 HydrophobicContact CG-CD1 3.58Å; Q334-L338 HydrophobicContact CG-CG 4.09Å; Q334-L338 VanDerWaalsContact O-CB 3.3Å; Q334-L338 WeakPolarHBondContact O-CB 3.49Å; Q334-L338 WeakPolarHBondContact O-CG 3.36Å; Q334-L338 PolarHBondContact O-N 3.07Å
339	Y	90.9	Very high	91.7	Very high	46 Å²	46	53.7 Å²	53.7	18%	0.18	25%	0.253	C	S	.	.	S	Bend	trans	-138.7	14.6	-164.2	-55	-51.8	0	0	0	114	A335 D341 E342 I343 F430 L442	A335-Y339 CarbonylContact O-C 3.58Å; A335-Y339 VanDerWaalsContact O-C 3.31Å; A335-Y339 WeakPolarHBondContact O-CA 3.21Å; A335-Y339 PolarHBondContact O-N 3.21Å; Y339-D341 PolarHBondContact O-N 3.42Å; Y339-E342 WeakPolarHBondContact CA-OE2 3.25Å; Y339-I343 WeakPolarHBondContact O-CB 3.45Å; Y339-I343 WeakPolarHBondContact O-CD1 3.23Å; Y339-I343 WeakPolarHBondContact O-CG1 3.42Å; Y339-I343 PolarHBondContact O-N 2.97Å; Y339-F430 AromaticContact CD1-CD1 3.6Å; Y339-F430 HydrophobicContact CD1-CD1 3.6Å; Y339-F430 AromaticContact CD1-CE1 3.91Å; Y339-F430 HydrophobicContact CD1-CE1 3.91Å; Y339-F430 HydrophobicContact CD2-CB 3.99Å; Y339-F430 AromaticContact CD2-CD1 3.75Å; Y339-F430 HydrophobicContact CD2-CD1 3.75Å; Y339-F430 HydrophobicContact CD2-CG 4.26Å; Y339-F430 HydrophobicContact CE1-CD1 4.17Å; Y339-F430 HydrophobicContact CE2-CB 4.35Å; Y339-F430 HydrophobicContact CE2-CD1 4.3Å; Y339-F430 HydrophobicContact CG-CB 4.46Å; Y339-F430 AromaticContact CG-CD1 3.38Å; Y339-F430 HydrophobicContact CG-CD1 3.38Å; Y339-F430 AromaticContact CG-CE1 3.96Å; Y339-F430 HydrophobicContact CG-CE1 3.96Å; Y339-F430 HydrophobicContact CG-CG 4.24Å; Y339-L442 HydrophobicContact CD2-CD1 4.15Å; Y339-L442 HydrophobicContact CE2-CD1 3.92Å
340	K	91.1	Very high	91.6	Very high	54 Å²	54	54.8 Å²	54.8	24%	0.235	26%	0.262	C	S	.	.	H	α-helix	trans	-53.2	-55.6	-174.3	-173	-159.3	-178.5	-165.8	0	111.5	L331 A335 Y336 I343 V344 E357 L393	L331-K340 HydrophobicContact CD2-CG 4.41Å; A335-K340 PolarHBondContact O-N 2.92Å; A335-K340 VanDerWaalsContact O-N 3.17Å; Y336-K340 HydrophobicContact CD2-CB 4.31Å; Y336-K340 HydrophobicContact CD2-CD 4.15Å; Y336-K340 HydrophobicContact CD2-CG 4.05Å; Y336-K340 HydrophobicContact CE2-CD 3.91Å; Y336-K340 HydrophobicContact CE2-CG 4.31Å; Y336-K340 WeakPolarHBondContact O-CB 3.45Å; K340-I343 PolarHBondContact O-N 3.5Å; K340-V344 HydrophobicContact CG-CG2 4.26Å; K340-V344 WeakPolarHBondContact O-CB 3.42Å; K340-V344 VanDerWaalsContact O-CG2 3.29Å; K340-V344 WeakPolarHBondContact O-CG2 3.39Å; K340-V344 PolarHBondContact O-N 2.86Å; K340-E357 WeakPolarHBondContact CE-OE1 3.18Å; K340-E357 IonicContact NZ-OE1 2.72Å; K340-E357 PolarHBondContact NZ-OE1 3.46Å; K340-L393 HydrophobicContact CD-CD2 4.28Å; K340-L393 HydrophobicContact CG-CD2 3.96Å
341	D	92	Very high	91.5	Very high	113 Å²	113	57.1 Å²	57.1	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-76.2	-33	-165.9	-64.5	-30.7	0	0	0	111.3	Y339 K345	Y339-D341 PolarHBondContact O-N 3.42Å; D341-K345 WeakPolarHBondContact O-CB 3.37Å; D341-K345 PolarHBondContact O-N 3.22Å
342	E	93.2	Very high	91.5	Very high	100 Å²	100	57.4 Å²	57.4	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-45.2	169.7	-64.4	79.1	-176	0	0	111.9	Y339 K345 Q346 F430	Y339-E342 WeakPolarHBondContact CA-OE2 3.25Å; E342-K345 PolarHBondContact O-N 3.39Å; E342-Q346 WeakPolarHBondContact O-CG 3.07Å; E342-Q346 PolarHBondContact O-N 3.43Å; E342-F430 HydrophobicContact CB-CE1 3.98Å; E342-F430 HydrophobicContact CB-CZ 3.78Å
343	I	92.6	Very high	91.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.7	-46.1	-178.8	-67.7	166.6	0	0	0	110.5	L331 A335 Y339 K340 K345 Q346 I347 F430 L443	L331-I343 HydrophobicContact CD1-CG2 4.12Å; L331-I343 HydrophobicContact CD2-CB 4.31Å; L331-I343 HydrophobicContact CD2-CD1 4.3Å; L331-I343 HydrophobicContact CD2-CG2 4.21Å; L331-I343 HydrophobicContact CG-CD1 4.4Å; L331-I343 HydrophobicContact CG-CG2 4.19Å; A335-I343 HydrophobicContact CB-CD1 4.16Å; Y339-I343 WeakPolarHBondContact O-CB 3.45Å; Y339-I343 WeakPolarHBondContact O-CD1 3.23Å; Y339-I343 WeakPolarHBondContact O-CG1 3.42Å; Y339-I343 PolarHBondContact O-N 2.97Å; K340-I343 PolarHBondContact O-N 3.5Å; I343-K345 VanDerWaalsContact C-N 3.28Å; I343-K345 PolarHBondContact O-N 3.12Å; I343-Q346 PolarHBondContact O-N 3.4Å; I343-I347 HydrophobicContact CG2-CD1 3.89Å; I343-I347 WeakPolarHBondContact O-CB 3.5Å; I343-I347 VanDerWaalsContact O-CG1 3.31Å; I343-I347 WeakPolarHBondContact O-CG1 3.24Å; I343-I347 PolarHBondContact O-N 3.46Å; I343-F430 HydrophobicContact CD1-CB 4.46Å; I343-F430 HydrophobicContact CD1-CD1 4.4Å; I343-F430 HydrophobicContact CD1-CD2 3.98Å; I343-F430 HydrophobicContact CD1-CE2 4.34Å; I343-F430 HydrophobicContact CD1-CG 4.01Å; I343-F430 HydrophobicContact CG1-CD1 4.4Å; I343-F430 HydrophobicContact CG1-CD2 3.67Å; I343-F430 HydrophobicContact CG1-CE1 4.27Å; I343-F430 HydrophobicContact CG1-CE2 3.54Å; I343-F430 HydrophobicContact CG1-CG 4.11Å; I343-F430 HydrophobicContact CG1-CZ 3.86Å; I343-L443 HydrophobicContact CD1-CD1 4.07Å; I343-L443 HydrophobicContact CD1-CD2 3.91Å; I343-L443 HydrophobicContact CD1-CG 4.41Å; I343-L443 HydrophobicContact CG2-CD2 4.3Å
344	V	92.8	Very high	91	Very high	12 Å²	12	62.7 Å²	62.7	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-37.1	175.1	167.5	0	0	0	0	111.2	K340 K348 I354 L395	K340-V344 HydrophobicContact CG-CG2 4.26Å; K340-V344 WeakPolarHBondContact O-CB 3.42Å; K340-V344 VanDerWaalsContact O-CG2 3.29Å; K340-V344 WeakPolarHBondContact O-CG2 3.39Å; K340-V344 PolarHBondContact O-N 2.86Å; V344-K348 HydrophobicContact CG1-CD 4.26Å; V344-K348 WeakPolarHBondContact O-CG 3.16Å; V344-K348 PolarHBondContact O-N 2.82Å; V344-I354 HydrophobicContact CG1-CD1 3.92Å; V344-L395 HydrophobicContact CG2-CD1 4.11Å
345	K	92.7	Very high	90.5	Very high	136 Å²	136	63 Å²	63	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-67.1	-42.6	173.5	-176.7	172.5	-177.9	173.5	0	112.2	D341 E342 I343 K348 N349	D341-K345 WeakPolarHBondContact O-CB 3.37Å; D341-K345 PolarHBondContact O-N 3.22Å; E342-K345 PolarHBondContact O-N 3.39Å; I343-K345 VanDerWaalsContact C-N 3.28Å; I343-K345 PolarHBondContact O-N 3.12Å; K345-K348 PolarHBondContact O-N 2.88Å; K345-N349 VanDerWaalsContact O-CB 3.3Å; K345-N349 WeakPolarHBondContact O-CB 3.33Å; K345-N349 PolarHBondContact O-N 2.89Å; K345-N349 PolarHBondContact O-OD1 3.12Å
346	Q	93.5	Very high	89.9	Confident	53 Å²	53	64.7 Å²	64.7	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-40.1	175.2	-74.2	-170.3	55.3	0	0	112.3	E342 I343 N349 A350 M409 L426 Q429	E342-Q346 WeakPolarHBondContact O-CG 3.07Å; E342-Q346 PolarHBondContact O-N 3.43Å; I343-Q346 PolarHBondContact O-N 3.4Å; Q346-N349 PolarHBondContact O-N 2.76Å; Q346-A350 PolarHBondContact O-N 2.97Å; Q346-M409 HydrophobicContact CB-CE 4.3Å; Q346-M409 WeakPolarHBondContact O-CE 3.37Å; Q346-L426 HydrophobicContact CB-CD2 4.18Å; Q346-L426 VanDerWaalsContact OE1-CD2 3.3Å; Q346-Q429 VanDerWaalsContact OE1-NE2 3.15Å
347	I	93.5	Very high	89.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57.4	-51.9	173.6	-73.4	167.9	0	0	0	110.8	I343 N349 A350 F352 I354 L395 L397 W406	I343-I347 HydrophobicContact CG2-CD1 3.89Å; I343-I347 WeakPolarHBondContact O-CB 3.5Å; I343-I347 VanDerWaalsContact O-CG1 3.31Å; I343-I347 WeakPolarHBondContact O-CG1 3.24Å; I343-I347 PolarHBondContact O-N 3.46Å; I347-N349 PolarHBondContact O-N 2.85Å; I347-A350 PolarHBondContact O-N 2.8Å; I347-F352 HydrophobicContact CG2-CB 3.69Å; I347-F352 HydrophobicContact CG2-CD2 4.4Å; I347-F352 HydrophobicContact CG2-CG 4.27Å; I347-F352 PolarHBondContact O-N 2.88Å; I347-I354 HydrophobicContact CG2-CD1 4.35Å; I347-I354 HydrophobicContact CG2-CG1 4.19Å; I347-L395 HydrophobicContact CD1-CD1 3.74Å; I347-L397 HydrophobicContact CD1-CD1 4.36Å; I347-L397 HydrophobicContact CG1-CD1 4.48Å; I347-L397 HydrophobicContact CG2-CD1 4Å; I347-L397 HydrophobicContact CG2-CD2 3.66Å; I347-L397 HydrophobicContact CG2-CG 4.49Å; I347-W406 HydrophobicContact CD1-CH2 3.93Å; I347-W406 HydrophobicContact CD1-CZ3 3.91Å; I347-W406 HydrophobicContact CG1-CE3 4.43Å; I347-W406 HydrophobicContact CG1-CH2 4.18Å; I347-W406 HydrophobicContact CG1-CZ3 3.65Å
348	K	92	Very high	89.3	Confident	125 Å²	125	62.1 Å²	62.1	54%	0.543	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177.7	-71.8	174.9	-179.1	179.2	0	112	V344 K345 A350 G351 I354	V344-K348 HydrophobicContact CG1-CD 4.26Å; V344-K348 WeakPolarHBondContact O-CG 3.16Å; V344-K348 PolarHBondContact O-N 2.82Å; K345-K348 PolarHBondContact O-N 2.88Å; K348-A350 PolarHBondContact O-N 2.75Å; K348-G351 PolarHBondContact O-N 2.78Å; K348-I354 HydrophobicContact CG-CD1 4.41Å
349	N	92.9	Very high	89.3	Confident	125 Å²	125	60.9 Å²	60.9	67%	0.668	33%	0.328	S	S	*	.	H	α-helix	trans	-63.9	-25.6	177.9	-72.9	0.4	0	0	0	113.5	K345 Q346 I347 G351	K345-N349 VanDerWaalsContact O-CB 3.3Å; K345-N349 WeakPolarHBondContact O-CB 3.33Å; K345-N349 PolarHBondContact O-N 2.89Å; K345-N349 PolarHBondContact O-OD1 3.12Å; Q346-N349 PolarHBondContact O-N 2.76Å; I347-N349 PolarHBondContact O-N 2.85Å; N349-G351 PolarHBondContact O-N 3.06Å
350	A	92.7	Very high	89	Confident	24 Å²	24	59.7 Å²	59.7	20%	0.198	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3	174.3	0	0	0	0	0	114.1	Q346 I347 K348 F352 R399 M409	Q346-A350 PolarHBondContact O-N 2.97Å; I347-A350 PolarHBondContact O-N 2.8Å; K348-A350 PolarHBondContact O-N 2.75Å; A350-F352 HydrophobicContact CB-CD2 4.02Å; A350-F352 HydrophobicContact CB-CE2 4.19Å; A350-R399 PolarHBondContact O-NE 3.43Å; A350-M409 HydrophobicContact CB-CE 3.63Å; A350-M409 HydrophobicContact CB-SD 3.32Å; A350-M409 WeakPolarHBondContact CB-SD 3.44Å
351	G	90.9	Very high	88.8	Confident	48 Å²	48	62.1 Å²	62.1	50%	0.495	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	14.1	176.8	0	0	0	0	0	114.9	K348 N349	K348-G351 PolarHBondContact O-N 2.78Å; N349-G351 PolarHBondContact O-N 3.06Å
352	F	91.2	Very high	88.5	Confident	7 Å²	7	57.3 Å²	57.3	3%	0.031	31%	0.311	C	S	.	.			trans	-77.5	131.8	172.8	-72.5	-86.4	0	0	0	111.7	T327 I347 A350 L397 R399 A402 K405 W406 M409	T327-F352 HydrophobicContact CG2-CE1 4.43Å; I347-F352 HydrophobicContact CG2-CB 3.69Å; I347-F352 HydrophobicContact CG2-CD2 4.4Å; I347-F352 HydrophobicContact CG2-CG 4.27Å; I347-F352 PolarHBondContact O-N 2.88Å; A350-F352 HydrophobicContact CB-CD2 4.02Å; A350-F352 HydrophobicContact CB-CE2 4.19Å; F352-L397 HydrophobicContact CD1-CB 3.71Å; F352-L397 HydrophobicContact CD1-CD1 4.02Å; F352-L397 HydrophobicContact CD1-CG 4.46Å; F352-L397 HydrophobicContact CE1-CB 4.28Å; F352-L397 HydrophobicContact CE1-CD1 4.3Å; F352-L397 HydrophobicContact CG-CB 4.4Å; F352-L397 HydrophobicContact CG-CD1 4.22Å; F352-R399 HydrophobicContact CD1-CB 3.64Å; F352-R399 HydrophobicContact CD1-CG 4.29Å; F352-R399 HydrophobicContact CE1-CB 3.85Å; F352-R399 HydrophobicContact CE1-CG 4.47Å; F352-R399 HydrophobicContact CG-CB 4.38Å; F352-A402 HydrophobicContact CE1-CB 3.92Å; F352-K405 HydrophobicContact CE2-CB 4.23Å; F352-K405 HydrophobicContact CE2-CG 3.79Å; F352-K405 HydrophobicContact CZ-CB 3.8Å; F352-K405 HydrophobicContact CZ-CG 3.9Å; F352-W406 HydrophobicContact CE1-CB 4.34Å; F352-W406 HydrophobicContact CZ-CB 3.91Å; F352-M409 HydrophobicContact CD2-SD 4.31Å; F352-M409 HydrophobicContact CE2-SD 3.72Å
353	T	85.9	Confident	88.2	Confident	93 Å²	93	55.6 Å²	55.6	57%	0.571	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	128	161.2	-62.3	0	0	0	0	108.7	A355 L397 A398	T353-A355 PolarHBondContact O-N 3.16Å; T353-L397 CarbonylContact O-C 3.44Å; T353-L397 WeakPolarHBondContact O-CA 3.45Å; T353-A398 PolarHBondContact N-O 2.97Å; T353-A398 PolarHBondContact O-N 3.25Å
354	I	86.6	Confident	88	Confident	38 Å²	38	60 Å²	60	20%	0.195	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	104.3	169.7	-58.1	178.8	0	0	0	107	V344 I347 K348 L356 E357 L395 L397	V344-I354 HydrophobicContact CG1-CD1 3.92Å; I347-I354 HydrophobicContact CG2-CD1 4.35Å; I347-I354 HydrophobicContact CG2-CG1 4.19Å; K348-I354 HydrophobicContact CG-CD1 4.41Å; I354-L356 WeakPolarHBondContact CG2-O 3.44Å; I354-E357 HydrophobicContact CG2-CB 4.35Å; I354-L395 HydrophobicContact CD1-CD1 4.37Å; I354-L395 HydrophobicContact CG2-CB 4.48Å; I354-L395 HydrophobicContact CG2-CD2 4.1Å; I354-L397 HydrophobicContact CG1-CD2 3.84Å
355	A	75.6	Confident	87.7	Confident	50 Å²	50	65.3 Å²	65.3	41%	0.413	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-33.9	-178.4	0	0	0	0	0	112.3	T353 L396 A398	T353-A355 PolarHBondContact O-N 3.16Å; A355-L396 HydrophobicContact CB-CD2 4.43Å; A355-L396 HydrophobicContact CB-CG 4.35Å; A355-L396 PolarHBondContact N-O 3.1Å; A355-A398 HydrophobicContact CB-CB 4.48Å
356	L	76.7	Confident	87.3	Confident	37 Å²	37	63.6 Å²	63.6	19%	0.194	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.6	172.7	-60.7	170.6	0	0	0	110	I354 L395 L396 F460 S537	I354-L356 WeakPolarHBondContact CG2-O 3.44Å; L356-L395 CarbonylContact O-C 3.57Å; L356-L395 WeakPolarHBondContact O-CA 3.37Å; L356-L396 HydrophobicContact CB-CB 3.93Å; L356-L396 HydrophobicContact CD1-CB 4.45Å; L356-L396 HydrophobicContact CD1-CD2 3.84Å; L356-L396 HydrophobicContact CG-CB 4.41Å; L356-L396 HydrophobicContact CG-CD2 4.25Å; L356-L396 PolarHBondContact N-O 3.05Å; L356-L396 PolarHBondContact O-N 3.03Å; L356-F460 HydrophobicContact CB-CD1 3.98Å; L356-F460 HydrophobicContact CB-CE1 3.57Å; L356-F460 HydrophobicContact CB-CZ 4.2Å; L356-F460 HydrophobicContact CD1-CB 4.44Å; L356-F460 HydrophobicContact CD1-CD1 3.7Å; L356-F460 HydrophobicContact CD1-CE1 4.19Å; L356-F460 HydrophobicContact CD1-CG 4.19Å; L356-S537 WeakPolarHBondContact CD1-OG 3.37Å
357	E	87.1	Confident	87	Confident	91 Å²	91	61 Å²	61	43%	0.425	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134	168.4	173.5	171.3	152.8	0	0	108.6	K340 I354 L393 L395	K340-E357 WeakPolarHBondContact CE-OE1 3.18Å; K340-E357 IonicContact NZ-OE1 2.72Å; K340-E357 PolarHBondContact NZ-OE1 3.46Å; I354-E357 HydrophobicContact CG2-CB 4.35Å; E357-L393 HydrophobicContact CG-CD1 3.75Å; E357-L393 HydrophobicContact CG-CD2 4.34Å; E357-L393 HydrophobicContact CG-CG 4.27Å; E357-L395 HydrophobicContact CB-CD2 3.72Å; E357-L395 HydrophobicContact CG-CD2 3.58Å
358	K	82.7	Confident	86.7	Confident	74 Å²	74	63.9 Å²	63.9	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	121.2	-178.9	-171.9	179.2	162.3	-158.2	0	111.7	I360 A394 F459 F460	K358-I360 HydrophobicContact CB-CG1 4.48Å; K358-I360 HydrophobicContact CD-CD1 3.85Å; K358-I360 HydrophobicContact CD-CG1 4.05Å; K358-I360 HydrophobicContact CG-CD1 4.04Å; K358-I360 HydrophobicContact CG-CG1 3.79Å; K358-A394 PolarHBondContact N-O 2.98Å; K358-A394 PolarHBondContact O-N 3.01Å; K358-F459 PolarHBondContact NZ-O 2.92Å; K358-F460 HydrophobicContact CB-CD1 4.42Å; K358-F460 HydrophobicContact CB-CE1 3.76Å; K358-F460 HydrophobicContact CD-CD1 4.34Å; K358-F460 HydrophobicContact CD-CE1 4.47Å
359	A	89.4	Confident	86.4	Confident	53 Å²	53	63.6 Å²	63.6	44%	0.438	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.7	169	0	0	0	0	0	110	Y336 C392 L393	Y336-A359 HydrophobicContact CE1-CB 4.23Å; A359-C392 CarbonylContact C-O 3.52Å; A359-C392 WeakPolarHBondContact CA-O 3.41Å; A359-L393 HydrophobicContact CB-CD1 4.22Å
360	I	84.3	Confident	85.9	Confident	21 Å²	21	58.2 Å²	58.2	11%	0.108	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	115.9	-173.2	-56.2	174.7	0	0	0	109.6	K358 L362 C392 A394 F459	K358-I360 HydrophobicContact CB-CG1 4.48Å; K358-I360 HydrophobicContact CD-CD1 3.85Å; K358-I360 HydrophobicContact CD-CG1 4.05Å; K358-I360 HydrophobicContact CG-CD1 4.04Å; K358-I360 HydrophobicContact CG-CG1 3.79Å; I360-L362 HydrophobicContact CG2-CD2 3.71Å; I360-L362 HydrophobicContact CG2-CG 4.14Å; I360-C392 PolarHBondContact N-O 2.61Å; I360-C392 PolarHBondContact O-N 2.73Å; I360-A394 HydrophobicContact CD1-CB 4.16Å; I360-F459 HydrophobicContact CD1-CB 3.98Å; I360-F459 HydrophobicContact CD1-CD1 3.94Å; I360-F459 HydrophobicContact CD1-CG 4.47Å; I360-F459 VanDerWaalsContact CD1-O 3.24Å; I360-F459 WeakPolarHBondContact CD1-O 3.33Å
361	Q	87.7	Confident	85.4	Confident	104 Å²	104	57.5 Å²	57.5	49%	0.486	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-82.8	116.7	162.3	178.7	65.2	64.6	0	0	108.3	S388 G390	Q361-S388 PolarHBondContact NE2-O 3.42Å; Q361-G390 PolarHBondContact NE2-O 3.47Å; Q361-G390 PolarHBondContact OE1-O 3.34Å
362	L	84.1	Confident	85	Confident	12 Å²	12	60 Å²	60	6%	0.063	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-90.8	146.3	171.2	-63.4	176.2	0	0	0	110.2	I360 Q366 V367 M387 F459	I360-L362 HydrophobicContact CG2-CD2 3.71Å; I360-L362 HydrophobicContact CG2-CG 4.14Å; L362-Q366 HydrophobicContact CB-CB 4.47Å; L362-Q366 HydrophobicContact CD2-CB 4.4Å; L362-V367 HydrophobicContact CB-CG2 3.57Å; L362-V367 HydrophobicContact CD1-CG2 3.78Å; L362-V367 HydrophobicContact CG-CG2 4.34Å; L362-M387 HydrophobicContact CD1-CE 4.31Å; L362-F459 HydrophobicContact CD1-CE1 4.12Å
363	T	88	Confident	84.5	Confident	64 Å²	64	66.6 Å²	66.6	39%	0.393	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-79.1	163.1	166.3	85.6	0	0	0	0	110.4	E365 Q366 V367	T363-E365 WeakPolarHBondContact CB-OE2 3.38Å; T363-E365 PolarHBondContact O-N 2.7Å; T363-E365 PolarHBondContact OG1-N 3.29Å; T363-E365 PolarHBondContact OG1-OE2 3.07Å; T363-Q366 PolarHBondContact O-N 2.98Å; T363-Q366 PolarHBondContact OG1-N 3.44Å; T363-V367 WeakPolarHBondContact O-CG2 3.27Å; T363-V367 PolarHBondContact O-N 3.21Å; T363-V367 VanDerWaalsContact O-N 3.11Å
364	K	87.2	Confident	84.1	Confident	94 Å²	94	65.1 Å²	65.1	41%	0.409	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-39.4	-179.8	-170	177.1	174.5	-71.5	0	111.7	V367 E368 T384	K364-V367 PolarHBondContact O-N 3.08Å; K364-E368 IonicContact NZ-OE1 3.13Å; K364-E368 PolarHBondContact NZ-OE1 3.23Å; K364-E368 IonicContact NZ-OE2 2.7Å; K364-E368 WeakPolarHBondContact O-CG 3.36Å; K364-E368 PolarHBondContact O-N 2.81Å; K364-T384 HydrophobicContact CG-CG2 3.63Å
365	E	86.9	Confident	83.7	Confident	122 Å²	122	69.1 Å²	69.1	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-69.3	-41.3	-178.9	-52.6	68.5	-146.8	0	0	111.2	T363 V367 E368 E369	T363-E365 WeakPolarHBondContact CB-OE2 3.38Å; T363-E365 PolarHBondContact O-N 2.7Å; T363-E365 PolarHBondContact OG1-N 3.29Å; T363-E365 PolarHBondContact OG1-OE2 3.07Å; E365-V367 VanDerWaalsContact C-N 3.31Å; E365-V367 PolarHBondContact O-N 3.42Å; E365-E368 PolarHBondContact O-N 2.84Å; E365-E369 PolarHBondContact O-N 3.04Å
366	Q	84.9	Confident	83.8	Confident	100 Å²	100	70.4 Å²	70.4	47%	0.467	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-39.8	174.2	-70.6	174.9	-25.4	0	0	111.7	L362 T363 Y370	L362-Q366 HydrophobicContact CB-CB 4.47Å; L362-Q366 HydrophobicContact CD2-CB 4.4Å; T363-Q366 PolarHBondContact O-N 2.98Å; T363-Q366 PolarHBondContact OG1-N 3.44Å; Q366-Y370 VanDerWaalsContact O-CB 3.26Å; Q366-Y370 WeakPolarHBondContact O-CB 3.18Å; Q366-Y370 PolarHBondContact O-N 2.65Å
367	V	86	Confident	83.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-69	-38.9	176.4	179.4	0	0	0	0	111.7	L362 T363 K364 E365 Y370 Y371 T384 M387	L362-V367 HydrophobicContact CB-CG2 3.57Å; L362-V367 HydrophobicContact CD1-CG2 3.78Å; L362-V367 HydrophobicContact CG-CG2 4.34Å; T363-V367 WeakPolarHBondContact O-CG2 3.27Å; T363-V367 PolarHBondContact O-N 3.21Å; T363-V367 VanDerWaalsContact O-N 3.11Å; K364-V367 PolarHBondContact O-N 3.08Å; E365-V367 VanDerWaalsContact C-N 3.31Å; E365-V367 PolarHBondContact O-N 3.42Å; V367-Y370 PolarHBondContact O-N 3.01Å; V367-Y371 HydrophobicContact CG1-CD2 3.81Å; V367-Y371 HydrophobicContact CG1-CE2 4.36Å; V367-Y371 PolarHBondContact O-N 2.88Å; V367-T384 HydrophobicContact CB-CG2 4.22Å; V367-T384 HydrophobicContact CG1-CG2 4.07Å; V367-M387 HydrophobicContact CB-CB 4.46Å; V367-M387 HydrophobicContact CG1-CB 3.68Å; V367-M387 HydrophobicContact CG1-CG 4.35Å; V367-M387 HydrophobicContact CG2-CB 3.82Å
368	E	88.3	Confident	83.4	Confident	60 Å²	60	74.8 Å²	74.8	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-66.3	-39.4	178.4	-76	175.3	172.1	0	0	112.7	K364 E365 K372 F380 T384	K364-E368 IonicContact NZ-OE1 3.13Å; K364-E368 PolarHBondContact NZ-OE1 3.23Å; K364-E368 IonicContact NZ-OE2 2.7Å; K364-E368 WeakPolarHBondContact O-CG 3.36Å; K364-E368 PolarHBondContact O-N 2.81Å; E365-E368 PolarHBondContact O-N 2.84Å; E368-K372 WeakPolarHBondContact O-CA 3.37Å; E368-K372 PolarHBondContact O-N 2.7Å; E368-K372 VanDerWaalsContact O-N 3.16Å; E368-F380 HydrophobicContact CB-CZ 4.26Å; E368-F380 HydrophobicContact CG-CE1 4.2Å; E368-F380 HydrophobicContact CG-CZ 4.01Å; E368-T384 HydrophobicContact CG-CG2 3.58Å
369	E	84.9	Confident	83.2	Confident	118 Å²	118	76 Å²	76	55%	0.551	40%	0.395	S	S	*	.	H	α-helix	trans	-72.3	-36.8	174.4	-172.4	61.7	-155.4	0	0	112.1	E365 K372	E365-E369 PolarHBondContact O-N 3.04Å; E369-K372 WeakPolarHBondContact O-CB 3.34Å; E369-K372 WeakPolarHBondContact OE1-CD 3.37Å; E369-K372 IonicContact OE1-NZ 2.83Å; E369-K372 PolarHBondContact OE1-NZ 3.32Å; E369-K372 IonicContact OE2-NZ 2.66Å; E369-K372 PolarHBondContact OE2-NZ 2.82Å
370	Y	83.1	Confident	82.8	Confident	12 Å²	12	74.5 Å²	74.5	5%	0.047	38%	0.379	C	S	.	.	H	α-helix	trans	-66.6	-47.4	178	170	-124.7	0	0	0	112.7	Q366 V367 K372 H444 K454 D455 V458 F459	Q366-Y370 VanDerWaalsContact O-CB 3.26Å; Q366-Y370 WeakPolarHBondContact O-CB 3.18Å; Q366-Y370 PolarHBondContact O-N 2.65Å; V367-Y370 PolarHBondContact O-N 3.01Å; Y370-K372 VanDerWaalsContact C-N 3.31Å; Y370-K372 PolarHBondContact O-N 2.86Å; Y370-H444 PolarHBondContact OH-NE2 2.92Å; Y370-K454 PolarHBondContact O-NZ 2.66Å; Y370-D455 WeakPolarHBondContact CE2-OD1 2.8Å; Y370-D455 PolarHBondContact OH-OD1 3.05Å; Y370-V458 HydrophobicContact CD2-CB 4.29Å; Y370-V458 HydrophobicContact CD2-CG1 3.93Å; Y370-V458 HydrophobicContact CD2-CG2 3.91Å; Y370-V458 HydrophobicContact CE2-CB 4.47Å; Y370-V458 HydrophobicContact CE2-CG1 4.31Å; Y370-V458 HydrophobicContact CE2-CG2 4.38Å; Y370-V458 HydrophobicContact CG-CG1 4.22Å; Y370-F459 HydrophobicContact CD1-CZ 4.42Å; Y370-F459 HydrophobicContact CE1-CE2 4.09Å; Y370-F459 AromaticContact CE1-CZ 3.71Å; Y370-F459 HydrophobicContact CE1-CZ 3.71Å; Y370-F459 HydrophobicContact CE2-CE2 4.25Å; Y370-F459 AromaticContact CZ-CE2 3.69Å; Y370-F459 AromaticContact CZ-CZ 3.82Å; Y370-F459 WeakPolarHBondContact OH-CE2 3.48Å
371	Y	82	Confident	82.7	Confident	10 Å²	10	75.5 Å²	75.5	4%	0.039	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	20.4	178	-73	-58.4	0	0	0	113.7	R332 V367 E373 H374 F380 L383 M387	R332-Y371 PolarHBondContact NH2-OH 2.75Å; V367-Y371 HydrophobicContact CG1-CD2 3.81Å; V367-Y371 HydrophobicContact CG1-CE2 4.36Å; V367-Y371 PolarHBondContact O-N 2.88Å; Y371-E373 PolarHBondContact O-N 2.77Å; Y371-H374 AromaticContact CD1-CD2 3.78Å; Y371-H374 WeakPolarHBondContact O-CA 3.39Å; Y371-H374 WeakPolarHBondContact O-CB 3.16Å; Y371-H374 PolarHBondContact O-N 3.36Å; Y371-F380 WeakPolarHBondContact O-CE2 3.34Å; Y371-L383 HydrophobicContact CD1-CD2 4.28Å; Y371-L383 HydrophobicContact CD2-CD2 3.96Å; Y371-L383 HydrophobicContact CD2-CG 4.21Å; Y371-L383 HydrophobicContact CE1-CD2 4.47Å; Y371-L383 HydrophobicContact CE2-CD1 4.25Å; Y371-L383 HydrophobicContact CE2-CD2 4.16Å; Y371-L383 HydrophobicContact CE2-CG 4.25Å; Y371-L383 HydrophobicContact CG-CD2 4.03Å; Y371-M387 HydrophobicContact CE2-CE 4.22Å; Y371-M387 HydrophobicContact CE2-CG 4Å; Y371-M387 HydrophobicContact CE2-SD 4.48Å
372	K	83.5	Confident	82.5	Confident	101 Å²	101	74.3 Å²	74.3	44%	0.439	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-50.3	-33.1	-175.8	-173.3	172.1	-166	153	0	115.3	E368 E369 Y370 H374 M375	E368-K372 WeakPolarHBondContact O-CA 3.37Å; E368-K372 PolarHBondContact O-N 2.7Å; E368-K372 VanDerWaalsContact O-N 3.16Å; E369-K372 WeakPolarHBondContact O-CB 3.34Å; E369-K372 WeakPolarHBondContact OE1-CD 3.37Å; E369-K372 IonicContact OE1-NZ 2.83Å; E369-K372 PolarHBondContact OE1-NZ 3.32Å; E369-K372 IonicContact OE2-NZ 2.66Å; E369-K372 PolarHBondContact OE2-NZ 2.82Å; Y370-K372 VanDerWaalsContact C-N 3.31Å; Y370-K372 PolarHBondContact O-N 2.86Å; K372-H374 PolarHBondContact O-N 3.02Å; K372-M375 HydrophobicContact CG-SD 3.92Å; K372-M375 VanDerWaalsContact O-CB 3.28Å; K372-M375 WeakPolarHBondContact O-CB 3.41Å; K372-M375 VanDerWaalsContact O-CG 3.28Å; K372-M375 WeakPolarHBondContact O-CG 3.4Å; K372-M375 PolarHBondContact O-N 3.46Å
373	E	79.3	Confident	82.5	Confident	144 Å²	144	74.1 Å²	74.1	67%	0.673	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.7	174.8	-69.8	149.7	-125.1	0	0	113.8	Y371 K454	Y371-E373 PolarHBondContact O-N 2.77Å; E373-K454 IonicContact OE1-NZ 3.89Å; E373-K454 PolarHBondContact OE1-NZ 2.74Å; E373-K454 IonicContact OE2-NZ 2.6Å
374	H	78.8	Confident	82.4	Confident	62 Å²	62	71 Å²	71	29%	0.287	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-94.3	3.2	173.3	-57.5	-82.1	0	0	0	113.4	Y371 K372 G376 Q377 Y379 F380	Y371-H374 AromaticContact CD1-CD2 3.78Å; Y371-H374 WeakPolarHBondContact O-CA 3.39Å; Y371-H374 WeakPolarHBondContact O-CB 3.16Å; Y371-H374 PolarHBondContact O-N 3.36Å; K372-H374 PolarHBondContact O-N 3.02Å; H374-G376 PolarHBondContact O-N 2.98Å; H374-Q377 HydrophobicContact CB-CG 4.21Å; H374-Q377 VanDerWaalsContact O-CB 3.24Å; H374-Q377 WeakPolarHBondContact O-CB 3.41Å; H374-Q377 VanDerWaalsContact O-CG 3.31Å; H374-Q377 WeakPolarHBondContact O-CG 3.42Å; H374-Q377 PolarHBondContact O-N 3.5Å; H374-Y379 HydrophobicContact CB-CE2 4.38Å; H374-Y379 AromaticContact ND1-CZ 3.94Å; H374-Y379 PolarHBondContact ND1-OH 3Å; H374-F380 HydrophobicContact CB-CD2 3.8Å; H374-F380 HydrophobicContact CB-CE2 4.39Å; H374-F380 WeakPolarHBondContact O-CB 3.34Å
375	M	76.5	Confident	82.4	Confident	122 Å²	122	70.6 Å²	70.6	60%	0.601	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	128.4	176.6	-76.7	-178.2	76.9	0	0	111	K372 F380	K372-M375 HydrophobicContact CG-SD 3.92Å; K372-M375 VanDerWaalsContact O-CB 3.28Å; K372-M375 WeakPolarHBondContact O-CB 3.41Å; K372-M375 VanDerWaalsContact O-CG 3.28Å; K372-M375 WeakPolarHBondContact O-CG 3.4Å; K372-M375 PolarHBondContact O-N 3.46Å; M375-F380 HydrophobicContact CG-CD1 4.46Å; M375-F380 HydrophobicContact CG-CE1 3.72Å; M375-F380 HydrophobicContact CG-CE2 4.18Å; M375-F380 HydrophobicContact CG-CZ 3.55Å
376	G	77.4	Confident	82.3	Confident	78 Å²	78	65.5 Å²	65.5	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	-8.9	-174.8	0	0	0	0	0	115.2	H374	H374-G376 PolarHBondContact O-N 2.98Å
377	Q	80.2	Confident	82.4	Confident	95 Å²	95	60.8 Å²	60.8	44%	0.444	33%	0.329	S	S	.	.			trans	-70	140.9	169.8	-65.1	-66.1	-21.8	0	0	110.8	H374 Y379 F380	H374-Q377 HydrophobicContact CB-CG 4.21Å; H374-Q377 VanDerWaalsContact O-CB 3.24Å; H374-Q377 WeakPolarHBondContact O-CB 3.41Å; H374-Q377 VanDerWaalsContact O-CG 3.31Å; H374-Q377 WeakPolarHBondContact O-CG 3.42Å; H374-Q377 PolarHBondContact O-N 3.5Å; Q377-Y379 HydrophobicContact CB-CD1 4.13Å; Q377-Y379 HydrophobicContact CB-CD2 4.5Å; Q377-Y379 HydrophobicContact CB-CE1 3.7Å; Q377-Y379 HydrophobicContact CB-CE2 4.09Å; Q377-Y379 HydrophobicContact CG-CE1 4.14Å; Q377-Y379 PolarHBondContact O-N 3.49Å; Q377-Y379 VanDerWaalsContact O-N 3.16Å; Q377-F380 HydrophobicContact CB-CB 4.42Å; Q377-F380 WeakPolarHBondContact O-CB 3.03Å; Q377-F380 PolarHBondContact O-N 3.18Å
378	P	76.4	Confident	82.5	Confident	124 Å²	124	62.2 Å²	62.2	81%	0.805	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.7	-176	-26.7	35	0	0	0	114.3
379	Y	77.3	Confident	82.5	Confident	99 Å²	99	63.8 Å²	63.8	39%	0.388	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.4	178.7	59.6	-98.5	0	0	0	114	H374 Q377 G381 E382 L383	H374-Y379 HydrophobicContact CB-CE2 4.38Å; H374-Y379 AromaticContact ND1-CZ 3.94Å; H374-Y379 PolarHBondContact ND1-OH 3Å; Q377-Y379 HydrophobicContact CB-CD1 4.13Å; Q377-Y379 HydrophobicContact CB-CD2 4.5Å; Q377-Y379 HydrophobicContact CB-CE1 3.7Å; Q377-Y379 HydrophobicContact CB-CE2 4.09Å; Q377-Y379 HydrophobicContact CG-CE1 4.14Å; Q377-Y379 PolarHBondContact O-N 3.49Å; Q377-Y379 VanDerWaalsContact O-N 3.16Å; Y379-G381 PolarHBondContact O-N 3.43Å; Y379-E382 PolarHBondContact O-N 3.44Å; Y379-E382 VanDerWaalsContact O-N 3.17Å; Y379-L383 HydrophobicContact CD2-CD2 4.5Å; Y379-L383 HydrophobicContact CE2-CD2 4.49Å; Y379-L383 WeakPolarHBondContact O-CB 3.17Å; Y379-L383 PolarHBondContact O-N 2.93Å
380	F	81.5	Confident	82.6	Confident	22 Å²	22	58.6 Å²	58.6	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-57.7	-48.2	-172	179.9	-111.2	0	0	0	112.2	E368 Y371 H374 M375 Q377 E382 L383 T384	E368-F380 HydrophobicContact CB-CZ 4.26Å; E368-F380 HydrophobicContact CG-CE1 4.2Å; E368-F380 HydrophobicContact CG-CZ 4.01Å; Y371-F380 WeakPolarHBondContact O-CE2 3.34Å; H374-F380 HydrophobicContact CB-CD2 3.8Å; H374-F380 HydrophobicContact CB-CE2 4.39Å; H374-F380 WeakPolarHBondContact O-CB 3.34Å; M375-F380 HydrophobicContact CG-CD1 4.46Å; M375-F380 HydrophobicContact CG-CE1 3.72Å; M375-F380 HydrophobicContact CG-CE2 4.18Å; M375-F380 HydrophobicContact CG-CZ 3.55Å; Q377-F380 HydrophobicContact CB-CB 4.42Å; Q377-F380 WeakPolarHBondContact O-CB 3.03Å; Q377-F380 PolarHBondContact O-N 3.18Å; F380-E382 VanDerWaalsContact C-N 3.34Å; F380-E382 PolarHBondContact O-N 2.82Å; F380-L383 PolarHBondContact O-N 2.92Å; F380-T384 WeakPolarHBondContact O-CB 3.37Å; F380-T384 PolarHBondContact O-N 3.08Å; F380-T384 PolarHBondContact O-OG1 3.5Å; F380-T384 VanDerWaalsContact O-OG1 3.06Å
381	G	83.3	Confident	82.9	Confident	42 Å²	42	60.8 Å²	60.8	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-34.8	178.5	0	0	0	0	0	114.1	Y379 T385	Y379-G381 PolarHBondContact O-N 3.43Å; G381-T385 WeakPolarHBondContact O-CB 3.44Å; G381-T385 PolarHBondContact O-N 3.13Å; G381-T385 VanDerWaalsContact O-N 3.12Å; G381-T385 PolarHBondContact O-OG1 3.07Å
382	E	83.4	Confident	83.4	Confident	79 Å²	79	60.3 Å²	60.3	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-73.7	-41.3	174.9	-65.3	-162	166.1	0	0	111.7	Y379 F380 T385 V386 I440	Y379-E382 PolarHBondContact O-N 3.44Å; Y379-E382 VanDerWaalsContact O-N 3.17Å; F380-E382 VanDerWaalsContact C-N 3.34Å; F380-E382 PolarHBondContact O-N 2.82Å; E382-T385 PolarHBondContact O-N 3.13Å; E382-V386 WeakPolarHBondContact O-CG2 3.41Å; E382-V386 PolarHBondContact O-N 2.97Å; E382-I440 HydrophobicContact CB-CD1 3.86Å
383	L	83	Confident	83.8	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-58.8	-47.4	173.6	173.2	61.8	0	0	0	111.3	Y371 Y379 F380 T385 V386 M387 I440	Y371-L383 HydrophobicContact CD1-CD2 4.28Å; Y371-L383 HydrophobicContact CD2-CD2 3.96Å; Y371-L383 HydrophobicContact CD2-CG 4.21Å; Y371-L383 HydrophobicContact CE1-CD2 4.47Å; Y371-L383 HydrophobicContact CE2-CD1 4.25Å; Y371-L383 HydrophobicContact CE2-CD2 4.16Å; Y371-L383 HydrophobicContact CE2-CG 4.25Å; Y371-L383 HydrophobicContact CG-CD2 4.03Å; Y379-L383 HydrophobicContact CD2-CD2 4.5Å; Y379-L383 HydrophobicContact CE2-CD2 4.49Å; Y379-L383 WeakPolarHBondContact O-CB 3.17Å; Y379-L383 PolarHBondContact O-N 2.93Å; F380-L383 PolarHBondContact O-N 2.92Å; L383-T385 VanDerWaalsContact C-N 3.32Å; L383-T385 PolarHBondContact O-N 3.1Å; L383-V386 PolarHBondContact O-N 2.86Å; L383-M387 HydrophobicContact CD1-CG 3.86Å; L383-M387 WeakPolarHBondContact O-CB 3.42Å; L383-M387 WeakPolarHBondContact O-CG 3.41Å; L383-M387 PolarHBondContact O-N 2.95Å; L383-I440 HydrophobicContact CB-CD1 4.44Å; L383-I440 HydrophobicContact CD1-CG2 4.33Å
384	T	86.6	Confident	84.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-43.3	177.2	-61.3	0	0	0	0	111.6	K364 V367 E368 F380 M387 S388	K364-T384 HydrophobicContact CG-CG2 3.63Å; V367-T384 HydrophobicContact CB-CG2 4.22Å; V367-T384 HydrophobicContact CG1-CG2 4.07Å; E368-T384 HydrophobicContact CG-CG2 3.58Å; F380-T384 WeakPolarHBondContact O-CB 3.37Å; F380-T384 PolarHBondContact O-N 3.08Å; F380-T384 PolarHBondContact O-OG1 3.5Å; F380-T384 VanDerWaalsContact O-OG1 3.06Å; T384-M387 PolarHBondContact O-N 3.11Å; T384-S388 WeakPolarHBondContact O-CB 3.29Å; T384-S388 PolarHBondContact O-N 3.49Å; T384-S388 VanDerWaalsContact O-N 3.13Å; T384-S388 PolarHBondContact O-OG 3.35Å
385	T	86.8	Confident	85	Confident	84 Å²	84	45.8 Å²	45.8	52%	0.515	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-41.2	177.7	-55.6	0	0	0	0	111.7	G381 E382 L383 S388 S389	G381-T385 WeakPolarHBondContact O-CB 3.44Å; G381-T385 PolarHBondContact O-N 3.13Å; G381-T385 VanDerWaalsContact O-N 3.12Å; G381-T385 PolarHBondContact O-OG1 3.07Å; E382-T385 PolarHBondContact O-N 3.13Å; L383-T385 VanDerWaalsContact C-N 3.32Å; L383-T385 PolarHBondContact O-N 3.1Å; T385-S388 PolarHBondContact O-OG 2.74Å; T385-S389 WeakPolarHBondContact O-CB 3.49Å; T385-S389 PolarHBondContact O-N 2.93Å; T385-S389 VanDerWaalsContact O-N 3.14Å
386	V	85.7	Confident	85.5	Confident	16 Å²	16	40.7 Å²	40.7	10%	0.097	26%	0.258	C	S	.	.	H	α-helix	trans	-67.5	-42.5	177.7	169	0	0	0	0	112.2	P333 E382 L383 S388 S389 N437 I440	P333-V386 WeakPolarHBondContact CG-O 3.19Å; E382-V386 WeakPolarHBondContact O-CG2 3.41Å; E382-V386 PolarHBondContact O-N 2.97Å; L383-V386 PolarHBondContact O-N 2.86Å; V386-S388 VanDerWaalsContact C-N 3.29Å; V386-S388 PolarHBondContact O-N 3.43Å; V386-S389 PolarHBondContact O-N 2.85Å; V386-S389 PolarHBondContact O-OG 3.31Å; V386-S389 VanDerWaalsContact O-OG 3.07Å; V386-N437 HydrophobicContact CG2-CB 4.34Å; V386-N437 WeakPolarHBondContact CG2-ND2 3.36Å; V386-I440 HydrophobicContact CG2-CD1 4.38Å
387	M	86.6	Confident	86.1	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74.4	-20.1	-176.6	-72.4	-69.4	-58.5	0	0	113.4	R332 L362 V367 Y371 L383 T384 C392	R332-M387 HydrophobicContact CB-SD 4.13Å; R332-M387 WeakPolarHBondContact CD-SD 3.39Å; R332-M387 HydrophobicContact CG-SD 3.49Å; R332-M387 WeakPolarHBondContact CG-SD 3.46Å; R332-M387 PolarHBondContact NE-SD 2.86Å; L362-M387 HydrophobicContact CD1-CE 4.31Å; V367-M387 HydrophobicContact CB-CB 4.46Å; V367-M387 HydrophobicContact CG1-CB 3.68Å; V367-M387 HydrophobicContact CG1-CG 4.35Å; V367-M387 HydrophobicContact CG2-CB 3.82Å; Y371-M387 HydrophobicContact CE2-CE 4.22Å; Y371-M387 HydrophobicContact CE2-CG 4Å; Y371-M387 HydrophobicContact CE2-SD 4.48Å; L383-M387 HydrophobicContact CD1-CG 3.86Å; L383-M387 WeakPolarHBondContact O-CB 3.42Å; L383-M387 WeakPolarHBondContact O-CG 3.41Å; L383-M387 PolarHBondContact O-N 2.95Å; T384-M387 PolarHBondContact O-N 3.11Å; M387-C392 VanDerWaalsContact CE-SG 3.56Å
388	S	87.6	Confident	86.5	Confident	31 Å²	31	33 Å²	33	22%	0.217	20%	0.203	C	C	.	.	H	α-helix	trans	-98.9	-6.2	174.4	55.6	0	0	0	0	113.9	Q361 T384 T385 V386 G390	Q361-S388 PolarHBondContact NE2-O 3.42Å; T384-S388 WeakPolarHBondContact O-CB 3.29Å; T384-S388 PolarHBondContact O-N 3.49Å; T384-S388 VanDerWaalsContact O-N 3.13Å; T384-S388 PolarHBondContact O-OG 3.35Å; T385-S388 PolarHBondContact O-OG 2.74Å; V386-S388 VanDerWaalsContact C-N 3.29Å; V386-S388 PolarHBondContact O-N 3.43Å; S388-G390 VanDerWaalsContact C-N 3.28Å; S388-G390 PolarHBondContact O-N 2.84Å
389	S	88.6	Confident	87.1	Confident	92 Å²	92	30 Å²	30	64%	0.643	18%	0.176	S	C	*	.	S	Bend	trans	-76.1	-9.2	-176.2	72.7	0	0	0	0	115.2	T385 V386	T385-S389 WeakPolarHBondContact O-CB 3.49Å; T385-S389 PolarHBondContact O-N 2.93Å; T385-S389 VanDerWaalsContact O-N 3.14Å; V386-S389 PolarHBondContact O-N 2.85Å; V386-S389 PolarHBondContact O-OG 3.31Å; V386-S389 VanDerWaalsContact O-OG 3.07Å
390	G	87.6	Confident	87.4	Confident	10 Å²	10	30 Å²	30	10%	0.103	18%	0.179	C	C	.	.	S	Bend	trans	-177.7	179.9	-179.5	0	0	0	0	0	111.9	P333 Q361 S388	P333-G390 WeakPolarHBondContact CG-O 3.36Å; Q361-G390 PolarHBondContact NE2-O 3.47Å; Q361-G390 PolarHBondContact OE1-O 3.34Å; S388-G390 VanDerWaalsContact C-N 3.28Å; S388-G390 PolarHBondContact O-N 2.84Å
391	P	89.7	Confident	87.7	Confident	57 Å²	57	32.2 Å²	32.2	37%	0.37	19%	0.192	S	C	.	.			trans	-68.4	134.7	178.7	27.4	-33.7	0	0	0	111	P333 Y336	P333-P391 VanDerWaalsContact CA-O 3.29Å; P333-P391 WeakPolarHBondContact CA-O 3.33Å; P333-P391 WeakPolarHBondContact CB-O 3.41Å; Y336-P391 HydrophobicContact CD1-CB 4.23Å; Y336-P391 HydrophobicContact CD1-CG 4.05Å; Y336-P391 WeakPolarHBondContact CD1-O 3.5Å; Y336-P391 HydrophobicContact CE1-CB 4.02Å; Y336-P391 HydrophobicContact CE1-CG 3.91Å
392	C	91.3	Very high	87.9	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	157.3	164	-61.8	0	0	0	0	109.8	V330 L331 P333 A359 I360 M387	V330-C392 HydrophobicContact CG1-CB 3.95Å; L331-C392 WeakPolarHBondContact O-CA 3.4Å; L331-C392 WeakPolarHBondContact O-CB 3.42Å; P333-C392 VanDerWaalsContact CD-SG 3.59Å; A359-C392 CarbonylContact C-O 3.52Å; A359-C392 WeakPolarHBondContact CA-O 3.41Å; I360-C392 PolarHBondContact N-O 2.61Å; I360-C392 PolarHBondContact O-N 2.73Å; M387-C392 VanDerWaalsContact CE-SG 3.56Å
393	L	93	Very high	88.2	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.5	165.4	-168	72.8	0	0	0	109.7	V330 L331 Y336 K340 E357 A359 L395	V330-L393 WeakPolarHBondContact CA-O 3.3Å; L331-L393 HydrophobicContact CB-CB 4.16Å; L331-L393 HydrophobicContact CD2-CD2 4.24Å; L331-L393 PolarHBondContact N-O 3.36Å; L331-L393 PolarHBondContact O-N 3.43Å; Y336-L393 HydrophobicContact CD2-CB 3.57Å; Y336-L393 HydrophobicContact CD2-CD1 4.22Å; Y336-L393 HydrophobicContact CD2-CD2 3.97Å; Y336-L393 HydrophobicContact CD2-CG 4.15Å; Y336-L393 HydrophobicContact CE2-CB 3.99Å; Y336-L393 HydrophobicContact CE2-CD1 3.75Å; Y336-L393 HydrophobicContact CE2-CD2 4.07Å; Y336-L393 HydrophobicContact CE2-CG 4.17Å; Y336-L393 HydrophobicContact CG-CB 3.87Å; K340-L393 HydrophobicContact CD-CD2 4.28Å; K340-L393 HydrophobicContact CG-CD2 3.96Å; E357-L393 HydrophobicContact CG-CD1 3.75Å; E357-L393 HydrophobicContact CG-CD2 4.34Å; E357-L393 HydrophobicContact CG-CG 4.27Å; A359-L393 HydrophobicContact CB-CD1 4.22Å; L393-L395 HydrophobicContact CD2-CD2 3.88Å; L393-L395 HydrophobicContact CD2-CG 4.35Å; L393-L395 HydrophobicContact CG-CD2 4.08Å; L393-L395 HydrophobicContact CG-CG 4.47Å
394	A	91.4	Very high	88.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.2	168.4	0	0	0	0	0	109.7	K358 I360 F459 F460	K358-A394 PolarHBondContact N-O 2.98Å; K358-A394 PolarHBondContact O-N 3.01Å; I360-A394 HydrophobicContact CD1-CB 4.16Å; A394-F459 HydrophobicContact CB-CB 3.7Å; A394-F459 HydrophobicContact CB-CD1 4.08Å; A394-F459 HydrophobicContact CB-CG 3.96Å; A394-F460 HydrophobicContact CB-CE2 3.93Å; A394-F460 HydrophobicContact CB-CZ 3.76Å
395	L	91.5	Very high	88.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.8	173.1	-54.2	173.7	0	0	0	108.4	V328 A329 L331 V344 I347 I354 L356 E357 L393 L397	V328-L395 WeakPolarHBondContact CA-O 3.23Å; A329-L395 HydrophobicContact CB-CB 4.24Å; A329-L395 PolarHBondContact N-O 2.69Å; A329-L395 PolarHBondContact O-N 3.25Å; L331-L395 HydrophobicContact CD1-CD1 4.03Å; V344-L395 HydrophobicContact CG2-CD1 4.11Å; I347-L395 HydrophobicContact CD1-CD1 3.74Å; I354-L395 HydrophobicContact CD1-CD1 4.37Å; I354-L395 HydrophobicContact CG2-CB 4.48Å; I354-L395 HydrophobicContact CG2-CD2 4.1Å; L356-L395 CarbonylContact O-C 3.57Å; L356-L395 WeakPolarHBondContact O-CA 3.37Å; E357-L395 HydrophobicContact CB-CD2 3.72Å; E357-L395 HydrophobicContact CG-CD2 3.58Å; L393-L395 HydrophobicContact CD2-CD2 3.88Å; L393-L395 HydrophobicContact CD2-CG 4.35Å; L393-L395 HydrophobicContact CG-CD2 4.08Å; L393-L395 HydrophobicContact CG-CG 4.47Å; L395-L397 HydrophobicContact CB-CD2 3.78Å; L395-L397 HydrophobicContact CB-CG 4.43Å; L395-L397 HydrophobicContact CD1-CD2 4.41Å
396	L	87.1	Confident	89.2	Confident	15 Å²	15	28.3 Å²	28.3	8%	0.079	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.2	166	-176	60.4	0	0	0	107.4	R326 V328 A355 L356 I456 F460	R326-L396 HydrophobicContact CB-CD1 4.18Å; V328-L396 HydrophobicContact CG2-CD1 4.23Å; A355-L396 HydrophobicContact CB-CD2 4.43Å; A355-L396 HydrophobicContact CB-CG 4.35Å; A355-L396 PolarHBondContact N-O 3.1Å; L356-L396 HydrophobicContact CB-CB 3.93Å; L356-L396 HydrophobicContact CD1-CB 4.45Å; L356-L396 HydrophobicContact CD1-CD2 3.84Å; L356-L396 HydrophobicContact CG-CB 4.41Å; L356-L396 HydrophobicContact CG-CD2 4.25Å; L356-L396 PolarHBondContact N-O 3.05Å; L356-L396 PolarHBondContact O-N 3.03Å; L396-I456 HydrophobicContact CD1-CD1 3.88Å; L396-I456 HydrophobicContact CD1-CG1 3.84Å; L396-F460 HydrophobicContact CB-CD2 4.27Å; L396-F460 HydrophobicContact CB-CE2 3.85Å; L396-F460 HydrophobicContact CB-CZ 4Å
397	L	90.6	Very high	89.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.6	-179.8	-53	-173.4	0	0	0	110.1	R326 T327 A329 I347 F352 T353 I354 L395 W406	R326-L397 CarbonylContact C-O 3.53Å; R326-L397 VanDerWaalsContact CA-O 3.23Å; R326-L397 WeakPolarHBondContact CA-O 3.47Å; T327-L397 HydrophobicContact CG2-CB 3.98Å; T327-L397 HydrophobicContact CG2-CD1 4.41Å; T327-L397 PolarHBondContact N-O 3.5Å; T327-L397 PolarHBondContact O-N 3.06Å; A329-L397 HydrophobicContact CB-CD1 3.69Å; A329-L397 HydrophobicContact CB-CG 4.02Å; I347-L397 HydrophobicContact CD1-CD1 4.36Å; I347-L397 HydrophobicContact CG1-CD1 4.48Å; I347-L397 HydrophobicContact CG2-CD1 4Å; I347-L397 HydrophobicContact CG2-CD2 3.66Å; I347-L397 HydrophobicContact CG2-CG 4.49Å; F352-L397 HydrophobicContact CD1-CB 3.71Å; F352-L397 HydrophobicContact CD1-CD1 4.02Å; F352-L397 HydrophobicContact CD1-CG 4.46Å; F352-L397 HydrophobicContact CE1-CB 4.28Å; F352-L397 HydrophobicContact CE1-CD1 4.3Å; F352-L397 HydrophobicContact CG-CB 4.4Å; F352-L397 HydrophobicContact CG-CD1 4.22Å; T353-L397 CarbonylContact O-C 3.44Å; T353-L397 WeakPolarHBondContact O-CA 3.45Å; I354-L397 HydrophobicContact CG1-CD2 3.84Å; L395-L397 HydrophobicContact CB-CD2 3.78Å; L395-L397 HydrophobicContact CB-CG 4.43Å; L395-L397 HydrophobicContact CD1-CD2 4.41Å; L397-W406 HydrophobicContact CD1-CD2 4.09Å; L397-W406 HydrophobicContact CD1-CE3 4.12Å; L397-W406 HydrophobicContact CD1-CG 4.41Å
398	A	87.2	Confident	89.7	Confident	11 Å²	11	39.7 Å²	39.7	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.1	176.3	0	0	0	0	0	110.3	I324 E325 R326 T353 A355	I324-A398 HydrophobicContact CG2-CB 3.97Å; E325-A398 WeakPolarHBondContact O-CA 3.23Å; R326-A398 HydrophobicContact CG-CB 4.44Å; T353-A398 PolarHBondContact N-O 2.97Å; T353-A398 PolarHBondContact O-N 3.25Å; A355-A398 HydrophobicContact CB-CB 4.48Å
399	R	88.8	Confident	90	Very high	63 Å²	63	39.4 Å²	39.4	24%	0.238	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	158.1	-178.6	-159.7	-171.4	177.7	-83	2.8	108.2	E325 A350 F352 D401 A402	E325-R399 PolarHBondContact N-O 2.86Å; E325-R399 VanDerWaalsContact N-O 3.13Å; E325-R399 PolarHBondContact O-N 3.09Å; E325-R399 VanDerWaalsContact O-N 3.16Å; E325-R399 VanDerWaalsContact O-O 3.08Å; A350-R399 PolarHBondContact O-NE 3.43Å; F352-R399 HydrophobicContact CD1-CB 3.64Å; F352-R399 HydrophobicContact CD1-CG 4.29Å; F352-R399 HydrophobicContact CE1-CB 3.85Å; F352-R399 HydrophobicContact CE1-CG 4.47Å; F352-R399 HydrophobicContact CG-CB 4.38Å; R399-D401 IonicContact CZ-OD1 2.68Å; R399-D401 IonicContact CZ-OD2 3.8Å; R399-D401 IonicContact NH1-OD1 3.14Å; R399-D401 PolarHBondContact NH1-OD1 2.85Å; R399-D401 IonicContact NH1-OD2 3.99Å; R399-D401 PolarHBondContact NH1-OD2 2.9Å; R399-A402 HydrophobicContact CB-CB 3.88Å; R399-A402 WeakPolarHBondContact O-CB 3.46Å; R399-A402 PolarHBondContact O-N 3.4Å
400	E	84.8	Confident	90.2	Very high	97 Å²	97	35.1 Å²	35.1	45%	0.453	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	141.5	153.9	-59.4	175.9	-162.4	0	0	108.5	H322 A402	H322-E400 HydrophobicContact CB-CG 4.27Å; H322-E400 IonicContact CE1-OE2 2.71Å; H322-E400 IonicContact CG-OE1 2.68Å; H322-E400 IonicContact CG-OE2 2.66Å; H322-E400 IonicContact ND1-OE1 2.68Å; H322-E400 IonicContact ND1-OE2 2.69Å; H322-E400 PolarHBondContact ND1-OE2 2.91Å; E400-A402 PolarHBondContact O-N 3.3Å; E400-A402 VanDerWaalsContact O-N 3.13Å
401	D	87	Confident	90.3	Very high	70 Å²	70	35.3 Å²	35.3	37%	0.374	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	15	-177.2	79.8	38.8	0	0	0	117	E325 R399 V403 A404 K405	E325-D401 WeakPolarHBondContact OE1-CA 3.48Å; R399-D401 IonicContact CZ-OD1 2.68Å; R399-D401 IonicContact CZ-OD2 3.8Å; R399-D401 IonicContact NH1-OD1 3.14Å; R399-D401 PolarHBondContact NH1-OD1 2.85Å; R399-D401 IonicContact NH1-OD2 3.99Å; R399-D401 PolarHBondContact NH1-OD2 2.9Å; D401-V403 VanDerWaalsContact C-N 3.28Å; D401-V403 PolarHBondContact O-N 3.36Å; D401-A404 HydrophobicContact CB-CB 4.47Å; D401-A404 WeakPolarHBondContact O-CA 3.2Å; D401-A404 WeakPolarHBondContact O-CB 3.34Å; D401-A404 PolarHBondContact O-N 2.99Å; D401-K405 PolarHBondContact O-N 3.28Å; D401-K405 WeakPolarHBondContact OD1-CB 3.25Å
402	A	88.5	Confident	90.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-44.4	-43.5	-166.1	0	0	0	0	0	115.7	E325 T327 F352 R399 E400 W406	E325-A402 HydrophobicContact CB-CB 3.63Å; E325-A402 WeakPolarHBondContact O-CB 3.48Å; E325-A402 PolarHBondContact OE2-N 2.93Å; E325-A402 VanDerWaalsContact OE2-N 3.08Å; T327-A402 HydrophobicContact CG2-CB 4.15Å; F352-A402 HydrophobicContact CE1-CB 3.92Å; R399-A402 HydrophobicContact CB-CB 3.88Å; R399-A402 WeakPolarHBondContact O-CB 3.46Å; R399-A402 PolarHBondContact O-N 3.4Å; E400-A402 PolarHBondContact O-N 3.3Å; E400-A402 VanDerWaalsContact O-N 3.13Å; A402-W406 VanDerWaalsContact O-CB 3.23Å; A402-W406 WeakPolarHBondContact O-CB 3.39Å; A402-W406 PolarHBondContact O-N 3.13Å
403	V	88.7	Confident	89.9	Confident	23 Å²	23	36.9 Å²	36.9	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-43.3	179.8	-175.7	0	0	0	0	110.6	E325 D401 R407 V452	E325-V403 WeakPolarHBondContact OE2-CG2 3.38Å; E325-V403 PolarHBondContact OE2-N 2.9Å; D401-V403 VanDerWaalsContact C-N 3.28Å; D401-V403 PolarHBondContact O-N 3.36Å; V403-R407 WeakPolarHBondContact O-CB 3.35Å; V403-R407 VanDerWaalsContact O-CG 3.26Å; V403-R407 WeakPolarHBondContact O-CG 3.32Å; V403-R407 PolarHBondContact O-N 2.71Å; V403-R407 VanDerWaalsContact O-N 3.15Å; V403-V452 HydrophobicContact CG2-CG2 3.88Å
404	A	90.4	Very high	89.4	Confident	61 Å²	61	39.3 Å²	39.3	50%	0.504	21%	0.214	S	C	.	.	H	α-helix	trans	-66	-49.8	179.3	0	0	0	0	0	111.9	D401 W406 R407 E408	D401-A404 HydrophobicContact CB-CB 4.47Å; D401-A404 WeakPolarHBondContact O-CA 3.2Å; D401-A404 WeakPolarHBondContact O-CB 3.34Å; D401-A404 PolarHBondContact O-N 2.99Å; A404-W406 PolarHBondContact O-N 3.49Å; A404-R407 PolarHBondContact O-N 3.22Å; A404-E408 PolarHBondContact O-N 3.06Å
405	K	93.3	Very high	89.1	Confident	47 Å²	47	39.5 Å²	39.5	20%	0.204	22%	0.216	C	C	.	.	H	α-helix	trans	-67.2	-35.1	-179.4	-173.7	78.3	-154.1	170.3	0	112.9	F352 D401 E408 M409	F352-K405 HydrophobicContact CE2-CB 4.23Å; F352-K405 HydrophobicContact CE2-CG 3.79Å; F352-K405 HydrophobicContact CZ-CB 3.8Å; F352-K405 HydrophobicContact CZ-CG 3.9Å; D401-K405 PolarHBondContact O-N 3.28Å; D401-K405 WeakPolarHBondContact OD1-CB 3.25Å; K405-E408 WeakPolarHBondContact CD-OE2 3.43Å; K405-E408 WeakPolarHBondContact CE-OE2 3.45Å; K405-E408 IonicContact NZ-OE1 3.75Å; K405-E408 PolarHBondContact NZ-OE1 2.84Å; K405-E408 IonicContact NZ-OE2 3.19Å; K405-E408 PolarHBondContact NZ-OE2 2.84Å; K405-E408 WeakPolarHBondContact O-CB 3.28Å; K405-E408 PolarHBondContact O-N 3.42Å; K405-M409 WeakPolarHBondContact O-CG 3.47Å; K405-M409 PolarHBondContact O-N 2.97Å
406	W	93.9	Very high	88.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-40.4	177.4	-177.7	-132.7	0	0	0	111	T327 V328 A329 I347 F352 L397 A402 A404 M409 L410 L426	T327-W406 HydrophobicContact CG2-CB 3.8Å; T327-W406 HydrophobicContact CG2-CG 4.02Å; V328-W406 PolarHBondContact O-NE1 3.07Å; A329-W406 HydrophobicContact CB-CD2 4.27Å; A329-W406 VanDerWaalsContact CB-CE2 3.4Å; A329-W406 HydrophobicContact CB-CH2 3.95Å; A329-W406 HydrophobicContact CB-CZ2 3.25Å; I347-W406 HydrophobicContact CD1-CH2 3.93Å; I347-W406 HydrophobicContact CD1-CZ3 3.91Å; I347-W406 HydrophobicContact CG1-CE3 4.43Å; I347-W406 HydrophobicContact CG1-CH2 4.18Å; I347-W406 HydrophobicContact CG1-CZ3 3.65Å; F352-W406 HydrophobicContact CE1-CB 4.34Å; F352-W406 HydrophobicContact CZ-CB 3.91Å; L397-W406 HydrophobicContact CD1-CD2 4.09Å; L397-W406 HydrophobicContact CD1-CE3 4.12Å; L397-W406 HydrophobicContact CD1-CG 4.41Å; A402-W406 VanDerWaalsContact O-CB 3.23Å; A402-W406 WeakPolarHBondContact O-CB 3.39Å; A402-W406 PolarHBondContact O-N 3.13Å; A404-W406 PolarHBondContact O-N 3.49Å; W406-M409 HydrophobicContact CE3-CB 4.37Å; W406-M409 HydrophobicContact CE3-SD 4.49Å; W406-M409 PolarHBondContact O-N 3.02Å; W406-L410 HydrophobicContact CD2-CD1 4.14Å; W406-L410 HydrophobicContact CD2-CG 4.11Å; W406-L410 HydrophobicContact CG-CD1 4.26Å; W406-L410 HydrophobicContact CH2-CD2 4Å; W406-L410 HydrophobicContact CH2-CG 4.31Å; W406-L410 HydrophobicContact CZ2-CD1 4.08Å; W406-L410 HydrophobicContact CZ2-CD2 3.66Å; W406-L410 HydrophobicContact CZ2-CG 3.9Å; W406-L410 WeakPolarHBondContact O-CB 3.48Å; W406-L410 VanDerWaalsContact O-CG 3.27Å; W406-L410 WeakPolarHBondContact O-CG 3.35Å; W406-L410 PolarHBondContact O-N 3.07Å; W406-L426 HydrophobicContact CE3-CD1 4.34Å; W406-L426 HydrophobicContact CH2-CD1 3.61Å; W406-L426 HydrophobicContact CZ3-CD1 3.35Å
407	R	91.8	Very high	88.7	Confident	132 Å²	132	48.4 Å²	48.4	50%	0.498	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-38.9	171.9	-72.1	-176	68.6	179.7	-6.6	113.2	V403 A404 G411 A447	V403-R407 WeakPolarHBondContact O-CB 3.35Å; V403-R407 VanDerWaalsContact O-CG 3.26Å; V403-R407 WeakPolarHBondContact O-CG 3.32Å; V403-R407 PolarHBondContact O-N 2.71Å; V403-R407 VanDerWaalsContact O-N 3.15Å; A404-R407 PolarHBondContact O-N 3.22Å; R407-G411 PolarHBondContact O-N 3.24Å; R407-G411 VanDerWaalsContact O-N 3.08Å; R407-A447 PolarHBondContact NH1-O 2.83Å
408	E	91.9	Very high	88.6	Confident	123 Å²	123	48.4 Å²	48.4	58%	0.575	26%	0.26	S	S	*	.	H	α-helix	trans	-60.1	-51.3	174	-171.4	-152.8	124.7	0	0	111.1	A404 K405 L410 G411	A404-E408 PolarHBondContact O-N 3.06Å; K405-E408 WeakPolarHBondContact CD-OE2 3.43Å; K405-E408 WeakPolarHBondContact CE-OE2 3.45Å; K405-E408 IonicContact NZ-OE1 3.75Å; K405-E408 PolarHBondContact NZ-OE1 2.84Å; K405-E408 IonicContact NZ-OE2 3.19Å; K405-E408 PolarHBondContact NZ-OE2 2.84Å; K405-E408 WeakPolarHBondContact O-CB 3.28Å; K405-E408 PolarHBondContact O-N 3.42Å; E408-L410 PolarHBondContact O-N 3.43Å; E408-G411 PolarHBondContact O-N 3.35Å
409	M	93.5	Very high	88.6	Confident	25 Å²	25	52.6 Å²	52.6	12%	0.123	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-40.3	179.1	-71	-179.6	75.2	0	0	112.7	Q346 A350 F352 K405 W406 G411 S425 L426	Q346-M409 HydrophobicContact CB-CE 4.3Å; Q346-M409 WeakPolarHBondContact O-CE 3.37Å; A350-M409 HydrophobicContact CB-CE 3.63Å; A350-M409 HydrophobicContact CB-SD 3.32Å; A350-M409 WeakPolarHBondContact CB-SD 3.44Å; F352-M409 HydrophobicContact CD2-SD 4.31Å; F352-M409 HydrophobicContact CE2-SD 3.72Å; K405-M409 WeakPolarHBondContact O-CG 3.47Å; K405-M409 PolarHBondContact O-N 2.97Å; W406-M409 HydrophobicContact CE3-CB 4.37Å; W406-M409 HydrophobicContact CE3-SD 4.49Å; W406-M409 PolarHBondContact O-N 3.02Å; M409-G411 VanDerWaalsContact C-N 3.33Å; M409-S425 CarbonylContact O-C 3.54Å; M409-S425 WeakPolarHBondContact O-CA 3.44Å; M409-S425 WeakPolarHBondContact O-CB 3.33Å; M409-L426 HydrophobicContact CB-CD1 3.99Å; M409-L426 HydrophobicContact CB-CG 4.37Å; M409-L426 HydrophobicContact CE-CD1 4.3Å; M409-L426 WeakPolarHBondContact O-CG 3.48Å; M409-L426 PolarHBondContact O-N 3.2Å
410	L	93	Very high	88.6	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-39.7	176.6	-78.3	172.2	0	0	0	112.3	W406 E408 R427 L443	W406-L410 HydrophobicContact CD2-CD1 4.14Å; W406-L410 HydrophobicContact CD2-CG 4.11Å; W406-L410 HydrophobicContact CG-CD1 4.26Å; W406-L410 HydrophobicContact CH2-CD2 4Å; W406-L410 HydrophobicContact CH2-CG 4.31Å; W406-L410 HydrophobicContact CZ2-CD1 4.08Å; W406-L410 HydrophobicContact CZ2-CD2 3.66Å; W406-L410 HydrophobicContact CZ2-CG 3.9Å; W406-L410 WeakPolarHBondContact O-CB 3.48Å; W406-L410 VanDerWaalsContact O-CG 3.27Å; W406-L410 WeakPolarHBondContact O-CG 3.35Å; W406-L410 PolarHBondContact O-N 3.07Å; E408-L410 PolarHBondContact O-N 3.43Å; L410-R427 HydrophobicContact CD2-CG 4.36Å; L410-R427 WeakPolarHBondContact O-CB 3.34Å; L410-R427 WeakPolarHBondContact O-CD 3.38Å; L410-R427 WeakPolarHBondContact O-CG 3.47Å; L410-R427 PolarHBondContact O-N 3.48Å; L410-L443 HydrophobicContact CD2-CB 3.43Å; L410-L443 VanDerWaalsContact CD2-CB 3.43Å; L410-L443 HydrophobicContact CD2-CD1 4.27Å; L410-L443 HydrophobicContact CD2-CG 4.46Å
411	G	89.7	Confident	88.9	Confident	15 Å²	15	53.3 Å²	53.3	16%	0.155	30%	0.302	C	S	.	.			trans	69.2	-170.4	-172.6	0	0	0	0	0	113.6	R407 E408 M409 R427	R407-G411 PolarHBondContact O-N 3.24Å; R407-G411 VanDerWaalsContact O-N 3.08Å; E408-G411 PolarHBondContact O-N 3.35Å; M409-G411 VanDerWaalsContact C-N 3.33Å; G411-R427 PolarHBondContact O-NH1 2.89Å
412	P	87.7	Confident	88.9	Confident	28 Å²	28	51.5 Å²	51.5	18%	0.182	30%	0.297	C	S	.	.			trans	-50.5	145.7	-177.3	-27.9	33.7	0	0	0	114.2	S414 E417 A418 R427	P412-S414 VanDerWaalsContact C-N 3.3Å; P412-S414 PolarHBondContact O-N 3.47Å; P412-E417 HydrophobicContact CB-CB 3.95Å; P412-E417 HydrophobicContact CB-CG 3.81Å; P412-E417 HydrophobicContact CG-CG 4.06Å; P412-A418 HydrophobicContact CB-CB 4.21Å; P412-A418 HydrophobicContact CG-CB 4.32Å; P412-R427 WeakPolarHBondContact O-CD 3.22Å
413	A	83.9	Confident	89	Confident	63 Å²	63	55.1 Å²	55.1	52%	0.521	32%	0.32	S	S	.	.	S	Bend	trans	-67.5	-30.8	-179	0	0	0	0	0	112.6	N441	A413-N441 PolarHBondContact O-ND2 2.78Å
414	S	83.2	Confident	89.1	Confident	51 Å²	51	61.3 Å²	61.3	36%	0.357	35%	0.348	S	S	.	.	S	Bend	trans	-79.2	123.3	172.1	171.1	0	0	0	0	110.6	P412 N416 E417 A418	P412-S414 VanDerWaalsContact C-N 3.3Å; P412-S414 PolarHBondContact O-N 3.47Å; S414-N416 PolarHBondContact O-N 2.91Å; S414-E417 PolarHBondContact O-N 2.69Å; S414-E417 VanDerWaalsContact O-N 3.14Å; S414-E417 PolarHBondContact OG-N 2.71Å; S414-A418 WeakPolarHBondContact O-CB 3.35Å; S414-A418 PolarHBondContact O-N 3.07Å
415	V	84	Confident	89.2	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-36.4	177.1	174.7	0	0	0	0	112	K419 T431 N441	V415-K419 HydrophobicContact CG1-CD 4.42Å; V415-K419 WeakPolarHBondContact O-CG 3.45Å; V415-K419 PolarHBondContact O-N 3.08Å; V415-K419 VanDerWaalsContact O-N 3.12Å; V415-T431 HydrophobicContact CG1-CG2 3.45Å; V415-T431 VanDerWaalsContact CG1-CG2 3.45Å; V415-N441 HydrophobicContact CG2-CB 3.97Å
416	N	85	Confident	89.1	Confident	98 Å²	98	56.7 Å²	56.7	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-71.9	-35.6	179.1	-67	-34.1	0	0	0	111.9	S414 A420	S414-N416 PolarHBondContact O-N 2.91Å; N416-A420 WeakPolarHBondContact O-CB 3.25Å; N416-A420 PolarHBondContact O-N 3.09Å
417	E	86.5	Confident	89	Confident	104 Å²	104	57.9 Å²	57.9	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-71.3	-46.2	175.1	-171.3	-174.9	173	0	0	110.9	P412 S414 K419 A420 T421	P412-E417 HydrophobicContact CB-CB 3.95Å; P412-E417 HydrophobicContact CB-CG 3.81Å; P412-E417 HydrophobicContact CG-CG 4.06Å; S414-E417 PolarHBondContact O-N 2.69Å; S414-E417 VanDerWaalsContact O-N 3.14Å; S414-E417 PolarHBondContact OG-N 2.71Å; E417-K419 VanDerWaalsContact C-N 3.31Å; E417-K419 PolarHBondContact O-N 3.3Å; E417-A420 CarbonylContact O-C 3.57Å; E417-A420 WeakPolarHBondContact O-CA 3.42Å; E417-A420 PolarHBondContact O-N 3.16Å; E417-T421 HydrophobicContact CG-CG2 4.38Å; E417-T421 PolarHBondContact O-N 3.2Å; E417-T421 PolarHBondContact O-OG1 3.32Å; E417-T421 VanDerWaalsContact O-OG1 3.06Å
418	A	87.5	Confident	88.8	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-54.9	-46.4	176.7	0	0	0	0	0	111.5	P412 S414 A420 A422 R427 A428	P412-A418 HydrophobicContact CB-CB 4.21Å; P412-A418 HydrophobicContact CG-CB 4.32Å; S414-A418 WeakPolarHBondContact O-CB 3.35Å; S414-A418 PolarHBondContact O-N 3.07Å; A418-A420 PolarHBondContact O-N 3.09Å; A418-A422 CarbonylContact O-C 3.6Å; A418-A422 WeakPolarHBondContact O-CA 3.35Å; A418-A422 PolarHBondContact O-N 3.13Å; A418-R427 HydrophobicContact CB-CB 4.19Å; A418-A428 HydrophobicContact CB-CB 4.1Å
419	K	87.4	Confident	88.7	Confident	99 Å²	99	49.8 Å²	49.8	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-21.3	175.3	-75.9	178.7	172.6	170	0	114.7	V415 E417 A428 T431	V415-K419 HydrophobicContact CG1-CD 4.42Å; V415-K419 WeakPolarHBondContact O-CG 3.45Å; V415-K419 PolarHBondContact O-N 3.08Å; V415-K419 VanDerWaalsContact O-N 3.12Å; E417-K419 VanDerWaalsContact C-N 3.31Å; E417-K419 PolarHBondContact O-N 3.3Å; K419-A428 WeakPolarHBondContact CE-O 3.35Å; K419-A428 HydrophobicContact CG-CB 3.87Å; K419-T431 PolarHBondContact NZ-OG1 2.94Å
420	A	88.9	Confident	88.4	Confident	80 Å²	80	49.5 Å²	49.5	66%	0.661	29%	0.289	S	S	*	.	H	α-helix	trans	-94.3	-32.3	-179.5	0	0	0	0	0	113.6	N416 E417 A418	N416-A420 WeakPolarHBondContact O-CB 3.25Å; N416-A420 PolarHBondContact O-N 3.09Å; E417-A420 CarbonylContact O-C 3.57Å; E417-A420 WeakPolarHBondContact O-CA 3.42Å; E417-A420 PolarHBondContact O-N 3.16Å; A418-A420 PolarHBondContact O-N 3.09Å
421	T	90.4	Very high	87.7	Confident	94 Å²	94	50.5 Å²	50.5	58%	0.577	30%	0.295	S	S	*	.	H	α-helix	trans	-114.1	-24.8	-172.8	63.5	0	0	0	0	114.2	E417	E417-T421 HydrophobicContact CG-CG2 4.38Å; E417-T421 PolarHBondContact O-N 3.2Å; E417-T421 PolarHBondContact O-OG1 3.32Å; E417-T421 VanDerWaalsContact O-OG1 3.06Å
422	A	87.9	Confident	86.7	Confident	32 Å²	32	51 Å²	51	26%	0.264	29%	0.294	S	S	.	.			trans	-144.7	66.1	-177.3	0	0	0	0	0	110.9	A418 E424 S425 A428	A418-A422 CarbonylContact O-C 3.6Å; A418-A422 WeakPolarHBondContact O-CA 3.35Å; A418-A422 PolarHBondContact O-N 3.13Å; A422-E424 PolarHBondContact O-N 3.32Å; A422-E424 VanDerWaalsContact O-N 3.14Å; A422-S425 VanDerWaalsContact O-CB 3.24Å; A422-S425 WeakPolarHBondContact O-CB 3.42Å; A422-S425 PolarHBondContact O-N 3.17Å; A422-S425 PolarHBondContact O-OG 3.04Å; A422-A428 WeakPolarHBondContact O-CB 3.3Å
423	P	89.6	Confident	85.3	Confident	76 Å²	76	54.2 Å²	54.2	49%	0.494	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26	-173.8	24.8	-35.1	0	0	0	113.9	S425 A428	P423-S425 VanDerWaalsContact C-N 3.29Å; P423-S425 PolarHBondContact O-N 3.16Å; P423-A428 VanDerWaalsContact O-CB 3.3Å; P423-A428 WeakPolarHBondContact O-CB 3.26Å
424	E	90.8	Very high	83.9	Confident	154 Å²	154	55.2 Å²	55.2	72%	0.72	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.7	174.9	-53.8	-52.6	137.3	0	0	113.7	A422 Q429	A422-E424 PolarHBondContact O-N 3.32Å; A422-E424 VanDerWaalsContact O-N 3.14Å; E424-Q429 PolarHBondContact O-NE2 2.87Å
425	S	92.8	Very high	82.7	Confident	8 Å²	8	55.3 Å²	55.3	6%	0.056	33%	0.325	C	S	.	.	S	Bend	trans	-71.8	151.2	179	66.6	0	0	0	0	112.3	M409 A422 P423 R427 A428 Q429	M409-S425 CarbonylContact O-C 3.54Å; M409-S425 WeakPolarHBondContact O-CA 3.44Å; M409-S425 WeakPolarHBondContact O-CB 3.33Å; A422-S425 VanDerWaalsContact O-CB 3.24Å; A422-S425 WeakPolarHBondContact O-CB 3.42Å; A422-S425 PolarHBondContact O-N 3.17Å; A422-S425 PolarHBondContact O-OG 3.04Å; P423-S425 VanDerWaalsContact C-N 3.29Å; P423-S425 PolarHBondContact O-N 3.16Å; S425-R427 PolarHBondContact O-N 3.18Å; S425-A428 WeakPolarHBondContact O-CA 3.43Å; S425-A428 WeakPolarHBondContact O-CB 3.46Å; S425-A428 PolarHBondContact O-N 3.28Å; S425-A428 WeakPolarHBondContact OG-CB 3.38Å; S425-Q429 PolarHBondContact O-N 3.33Å
426	L	91.7	Very high	81.2	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-58.7	-34.5	-177.9	-61.3	172.8	0	0	0	112.4	Q346 W406 M409 A428 F430 L443	Q346-L426 HydrophobicContact CB-CD2 4.18Å; Q346-L426 VanDerWaalsContact OE1-CD2 3.3Å; W406-L426 HydrophobicContact CE3-CD1 4.34Å; W406-L426 HydrophobicContact CH2-CD1 3.61Å; W406-L426 HydrophobicContact CZ3-CD1 3.35Å; M409-L426 HydrophobicContact CB-CD1 3.99Å; M409-L426 HydrophobicContact CB-CG 4.37Å; M409-L426 HydrophobicContact CE-CD1 4.3Å; M409-L426 WeakPolarHBondContact O-CG 3.48Å; M409-L426 PolarHBondContact O-N 3.2Å; L426-A428 VanDerWaalsContact C-N 3.31Å; L426-F430 HydrophobicContact CB-CD2 4.31Å; L426-F430 HydrophobicContact CD2-CD2 4.12Å; L426-F430 HydrophobicContact CD2-CE2 3.75Å; L426-F430 WeakPolarHBondContact O-CB 3.38Å; L426-F430 WeakPolarHBondContact O-CD2 3.38Å; L426-F430 PolarHBondContact O-N 3.31Å; L426-L443 HydrophobicContact CB-CD1 3.56Å; L426-L443 HydrophobicContact CD1-CD1 4.32Å
427	R	91.2	Very high	80	Confident	26 Å²	26	60.6 Å²	60.6	10%	0.098	35%	0.345	C	S	.	.	H	α-helix	trans	-75.7	-15.6	175.6	-66.2	175.9	172.2	147.5	-4.2	113.9	L410 G411 P412 A418 S425 T431 N441 L443	L410-R427 HydrophobicContact CD2-CG 4.36Å; L410-R427 WeakPolarHBondContact O-CB 3.34Å; L410-R427 WeakPolarHBondContact O-CD 3.38Å; L410-R427 WeakPolarHBondContact O-CG 3.47Å; L410-R427 PolarHBondContact O-N 3.48Å; G411-R427 PolarHBondContact O-NH1 2.89Å; P412-R427 WeakPolarHBondContact O-CD 3.22Å; A418-R427 HydrophobicContact CB-CB 4.19Å; S425-R427 PolarHBondContact O-N 3.18Å; R427-T431 WeakPolarHBondContact O-CG2 3.13Å; R427-N441 HydrophobicContact CG-CB 4.03Å; R427-L443 PolarHBondContact NE-O 3.08Å; R427-L443 PolarHBondContact NH2-O 3.25Å
428	A	88.7	Confident	78.8	Confident	8 Å²	8	60.6 Å²	60.6	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-88.4	-43.3	171.2	0	0	0	0	0	111.8	A418 K419 A422 P423 S425 L426	A418-A428 HydrophobicContact CB-CB 4.1Å; K419-A428 WeakPolarHBondContact CE-O 3.35Å; K419-A428 HydrophobicContact CG-CB 3.87Å; A422-A428 WeakPolarHBondContact O-CB 3.3Å; P423-A428 VanDerWaalsContact O-CB 3.3Å; P423-A428 WeakPolarHBondContact O-CB 3.26Å; S425-A428 WeakPolarHBondContact O-CA 3.43Å; S425-A428 WeakPolarHBondContact O-CB 3.46Å; S425-A428 PolarHBondContact O-N 3.28Å; S425-A428 WeakPolarHBondContact OG-CB 3.38Å; L426-A428 VanDerWaalsContact C-N 3.31Å
429	Q	89.6	Confident	77.7	Confident	77 Å²	77	67.5 Å²	67.5	36%	0.36	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-58.6	174.7	-65.5	-176.9	41.4	0	0	111.7	Q346 E424 S425	Q346-Q429 VanDerWaalsContact OE1-NE2 3.15Å; E424-Q429 PolarHBondContact O-NE2 2.87Å; S425-Q429 PolarHBondContact O-N 3.33Å
430	F	87.1	Confident	77.1	Confident	18 Å²	18	63.7 Å²	63.7	8%	0.079	36%	0.36	C	S	.	.	S	Bend	trans	-97	103.7	-170.4	-58.3	-69.7	0	0	0	111.3	Y339 E342 I343 L426	Y339-F430 AromaticContact CD1-CD1 3.6Å; Y339-F430 HydrophobicContact CD1-CD1 3.6Å; Y339-F430 AromaticContact CD1-CE1 3.91Å; Y339-F430 HydrophobicContact CD1-CE1 3.91Å; Y339-F430 HydrophobicContact CD2-CB 3.99Å; Y339-F430 AromaticContact CD2-CD1 3.75Å; Y339-F430 HydrophobicContact CD2-CD1 3.75Å; Y339-F430 HydrophobicContact CD2-CG 4.26Å; Y339-F430 HydrophobicContact CE1-CD1 4.17Å; Y339-F430 HydrophobicContact CE2-CB 4.35Å; Y339-F430 HydrophobicContact CE2-CD1 4.3Å; Y339-F430 HydrophobicContact CG-CB 4.46Å; Y339-F430 AromaticContact CG-CD1 3.38Å; Y339-F430 HydrophobicContact CG-CD1 3.38Å; Y339-F430 AromaticContact CG-CE1 3.96Å; Y339-F430 HydrophobicContact CG-CE1 3.96Å; Y339-F430 HydrophobicContact CG-CG 4.24Å; E342-F430 HydrophobicContact CB-CE1 3.98Å; E342-F430 HydrophobicContact CB-CZ 3.78Å; I343-F430 HydrophobicContact CD1-CB 4.46Å; I343-F430 HydrophobicContact CD1-CD1 4.4Å; I343-F430 HydrophobicContact CD1-CD2 3.98Å; I343-F430 HydrophobicContact CD1-CE2 4.34Å; I343-F430 HydrophobicContact CD1-CG 4.01Å; I343-F430 HydrophobicContact CG1-CD1 4.4Å; I343-F430 HydrophobicContact CG1-CD2 3.67Å; I343-F430 HydrophobicContact CG1-CE1 4.27Å; I343-F430 HydrophobicContact CG1-CE2 3.54Å; I343-F430 HydrophobicContact CG1-CG 4.11Å; I343-F430 HydrophobicContact CG1-CZ 3.86Å; L426-F430 HydrophobicContact CB-CD2 4.31Å; L426-F430 HydrophobicContact CD2-CD2 4.12Å; L426-F430 HydrophobicContact CD2-CE2 3.75Å; L426-F430 WeakPolarHBondContact O-CB 3.38Å; L426-F430 WeakPolarHBondContact O-CD2 3.38Å; L426-F430 PolarHBondContact O-N 3.31Å
431	T	77.7	Confident	76.9	Confident	22 Å²	22	60.9 Å²	60.9	14%	0.135	33%	0.334	C	S	.	.			trans	-142.4	152.8	-173.6	57.3	0	0	0	0	112.9	V415 K419 R427 T433	V415-T431 HydrophobicContact CG1-CG2 3.45Å; V415-T431 VanDerWaalsContact CG1-CG2 3.45Å; K419-T431 PolarHBondContact NZ-OG1 2.94Å; R427-T431 WeakPolarHBondContact O-CG2 3.13Å; T431-T433 PolarHBondContact O-N 2.87Å; T431-T433 VanDerWaalsContact O-N 3.1Å
432	M	69	Low	76.8	Confident	27 Å²	27	56.6 Å²	56.6	13%	0.133	31%	0.307	C	S	.	.			trans	-62.5	112.3	-177.7	-68.2	-174.8	71.4	0	0	112.1	S434 N437 K438 L442	M432-S434 PolarHBondContact O-N 3Å; M432-N437 HydrophobicContact CE-CB 4.12Å; M432-N437 HydrophobicContact SD-CB 3.87Å; M432-K438 HydrophobicContact CB-CG 4.48Å; M432-L442 HydrophobicContact CG-CD1 4.45Å; M432-L442 HydrophobicContact CG-CD2 3.7Å; M432-L442 HydrophobicContact CG-CG 4.24Å; M432-L442 HydrophobicContact SD-CD2 4.42Å
433	T	58.7	Low	76.9	Confident	94 Å²	94	55.1 Å²	55.1	58%	0.577	30%	0.295	S	S	*	.	S	Bend	trans	-64.7	-25.3	177.6	46	0	0	0	0	113	T431	T431-T433 PolarHBondContact O-N 2.87Å; T431-T433 VanDerWaalsContact O-N 3.1Å
434	S	54.3	Low	76.7	Confident	84 Å²	84	52.6 Å²	52.6	59%	0.587	28%	0.276	S	S	*	.	S	Bend	trans	-152.6	165.7	178.4	-81.6	0	0	0	0	112.5	M432	M432-S434 PolarHBondContact O-N 3Å
435	G	57.2	Low	76.5	Confident	53 Å²	53	45.7 Å²	45.7	55%	0.546	25%	0.247	S	C	.	.	S	Bend	trans	109.8	173.9	-176.7	0	0	0	0	0	113.8
436	K	53.7	Low	76.1	Confident	180 Å²	180	45.3 Å²	45.3	78%	0.783	24%	0.244	S	C	*	.	S	Bend	trans	-74.5	-37.4	171.1	-72.8	-177.7	175.1	-178.2	0	111.6	K438	K436-K438 PolarHBondContact O-N 2.84Å
437	N	59.4	Low	75.3	Confident	34 Å²	34	46.7 Å²	46.7	18%	0.182	26%	0.256	C	S	.	.			trans	-75.1	24.1	-163	-45.4	35.4	0	0	0	113.7	V386 M432 E439 I440	V386-N437 HydrophobicContact CG2-CB 4.34Å; V386-N437 WeakPolarHBondContact CG2-ND2 3.36Å; M432-N437 HydrophobicContact CE-CB 4.12Å; M432-N437 HydrophobicContact SD-CB 3.87Å; N437-E439 PolarHBondContact O-N 2.58Å; N437-I440 HydrophobicContact CB-CD1 4.12Å; N437-I440 HydrophobicContact CB-CG1 4.38Å; N437-I440 WeakPolarHBondContact O-CB 3.26Å; N437-I440 PolarHBondContact O-N 3.38Å
438	K	60.6	Low	74.7	Confident	105 Å²	105	48.7 Å²	48.7	46%	0.457	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.3	-171.7	-73.4	-174.9	171.9	-171.1	0	115	M432 K436	M432-K438 HydrophobicContact CB-CG 4.48Å; K436-K438 PolarHBondContact O-N 2.84Å
439	E	66	Low	74.1	Confident	144 Å²	144	55.8 Å²	55.8	67%	0.673	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.7	177.3	-55.2	-169.8	157.5	0	0	112.3	N437 N441	N437-E439 PolarHBondContact O-N 2.58Å; E439-N441 PolarHBondContact O-N 2.82Å
440	I	75	Confident	73.5	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.097	31%	0.313	C	S	.	.	S	Bend	trans	-77	117.4	177.2	-56	-172.3	0	0	0	108.7	E382 L383 V386 N437	E382-I440 HydrophobicContact CB-CD1 3.86Å; L383-I440 HydrophobicContact CB-CD1 4.44Å; L383-I440 HydrophobicContact CD1-CG2 4.33Å; V386-I440 HydrophobicContact CG2-CD1 4.38Å; N437-I440 HydrophobicContact CB-CD1 4.12Å; N437-I440 HydrophobicContact CB-CG1 4.38Å; N437-I440 WeakPolarHBondContact O-CB 3.26Å; N437-I440 PolarHBondContact O-N 3.38Å
441	N	84.6	Confident	73.3	Confident	22 Å²	22	60.4 Å²	60.4	12%	0.118	32%	0.322	C	S	.	.			trans	-61.9	144.7	174.2	58.3	64.5	0	0	0	111.3	R332 A413 V415 R427 E439 L443	R332-N441 WeakPolarHBondContact CD-O 3.43Å; R332-N441 PolarHBondContact NH1-O 3.32Å; R332-N441 PolarHBondContact NH1-OD1 2.76Å; A413-N441 PolarHBondContact O-ND2 2.78Å; V415-N441 HydrophobicContact CG2-CB 3.97Å; R427-N441 HydrophobicContact CG-CB 4.03Å; E439-N441 PolarHBondContact O-N 2.82Å; N441-L443 VanDerWaalsContact C-N 3.29Å; N441-L443 PolarHBondContact O-N 2.84Å; N441-L443 PolarHBondContact OD1-O 2.87Å; N441-L443 VanDerWaalsContact OD1-O 3.12Å
442	L	87.2	Confident	73.6	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.016	32%	0.318	C	S	.	.	S	Bend	trans	-82.9	-5.2	-179.1	-70.3	-178.1	0	0	0	114	R332 Q334 A335 Y339 M432	R332-L442 WeakPolarHBondContact CB-O 3.43Å; R332-L442 WeakPolarHBondContact CG-O 3.49Å; R332-L442 PolarHBondContact N-O 3.41Å; Q334-L442 HydrophobicContact CB-CD2 4.14Å; A335-L442 HydrophobicContact CB-CB 3.87Å; A335-L442 HydrophobicContact CB-CD1 4.47Å; Y339-L442 HydrophobicContact CD2-CD1 4.15Å; Y339-L442 HydrophobicContact CE2-CD1 3.92Å; M432-L442 HydrophobicContact CG-CD1 4.45Å; M432-L442 HydrophobicContact CG-CD2 3.7Å; M432-L442 HydrophobicContact CG-CG 4.24Å; M432-L442 HydrophobicContact SD-CD2 4.42Å
443	L	89.8	Confident	74	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.7	-170.9	-64.7	167.1	0	0	0	112	L331 A335 I343 L410 L426 R427 N441	L331-L443 HydrophobicContact CB-CD2 4.2Å; L331-L443 HydrophobicContact CD1-CD2 4.12Å; L331-L443 HydrophobicContact CG-CD2 3.71Å; A335-L443 HydrophobicContact CB-CD2 4.28Å; I343-L443 HydrophobicContact CD1-CD1 4.07Å; I343-L443 HydrophobicContact CD1-CD2 3.91Å; I343-L443 HydrophobicContact CD1-CG 4.41Å; I343-L443 HydrophobicContact CG2-CD2 4.3Å; L410-L443 HydrophobicContact CD2-CB 3.43Å; L410-L443 VanDerWaalsContact CD2-CB 3.43Å; L410-L443 HydrophobicContact CD2-CD1 4.27Å; L410-L443 HydrophobicContact CD2-CG 4.46Å; L426-L443 HydrophobicContact CB-CD1 3.56Å; L426-L443 HydrophobicContact CD1-CD1 4.32Å; R427-L443 PolarHBondContact NE-O 3.08Å; R427-L443 PolarHBondContact NH2-O 3.25Å; N441-L443 VanDerWaalsContact C-N 3.29Å; N441-L443 PolarHBondContact O-N 2.84Å; N441-L443 PolarHBondContact OD1-O 2.87Å; N441-L443 VanDerWaalsContact OD1-O 3.12Å
444	H	86.5	Confident	75.1	Confident	23 Å²	23	62 Å²	62	11%	0.106	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148.9	172.9	175.4	85.1	0	0	0	110.8	V330 Y370 D455	V330-H444 HydrophobicContact CB-CB 4.2Å; V330-H444 PolarHBondContact N-O 3.34Å; V330-H444 PolarHBondContact O-N 3.07Å; Y370-H444 PolarHBondContact OH-NE2 2.92Å; H444-D455 IonicContact CD2-OD2 3.02Å; H444-D455 IonicContact CE1-OD2 2.71Å; H444-D455 IonicContact NE2-OD1 3.65Å; H444-D455 IonicContact NE2-OD2 2.6Å; H444-D455 PolarHBondContact NE2-OD2 2.9Å
445	G	84.9	Confident	76.6	Confident	10 Å²	10	58.2 Å²	58.2	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	135.8	172.9	0	0	0	0	0	108.8	V328	V328-G445 WeakPolarHBondContact O-CA 3.2Å
446	S	84.5	Confident	77.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.279	C	S	.	.			trans	-59.2	138.1	-173	-35.1	0	0	0	0	111.8	V452 D455	S446-V452 VanDerWaalsContact CB-CG2 3.49Å; S446-D455 PolarHBondContact OG-OD2 3.29Å
447	A	74.8	Confident	79	Confident	31 Å²	31	54 Å²	54	26%	0.256	27%	0.267	S	S	.	.	S	Bend	trans	-81.1	-25.1	-178.2	0	0	0	0	0	113.4	R407 E451	R407-A447 PolarHBondContact NH1-O 2.83Å; A447-E451 VanDerWaalsContact CB-OE2 3.29Å; A447-E451 WeakPolarHBondContact CB-OE2 3.37Å; A447-E451 PolarHBondContact N-OE2 2.88Å
448	N	79.1	Confident	80	Confident	68 Å²	68	55.2 Å²	55.2	36%	0.364	28%	0.276	S	S	.	.	S	Bend	trans	-153	171.9	-174	54.8	72.6	0	0	0	110.5	H450 E451 V452	N448-H450 PolarHBondContact O-N 2.89Å; N448-H450 PolarHBondContact OD1-N 2.81Å; N448-E451 PolarHBondContact ND2-OE1 3.41Å; N448-E451 WeakPolarHBondContact O-CB 3.42Å; N448-E451 PolarHBondContact O-N 2.96Å; N448-E451 PolarHBondContact OD1-N 2.97Å; N448-V452 PolarHBondContact O-N 2.79Å
449	E	76.2	Confident	80.9	Confident	156 Å²	156	50.3 Å²	50.3	73%	0.729	25%	0.254	S	S	*	.	H	α-helix	trans	-57.7	-43.4	-177.7	-172.2	169.7	-149	0	0	113.6	E451 V452 E453	E449-E451 PolarHBondContact O-N 2.73Å; E449-V452 CarbonylContact O-C 3.53Å; E449-V452 WeakPolarHBondContact O-CA 3.46Å; E449-V452 WeakPolarHBondContact O-CB 3.42Å; E449-V452 PolarHBondContact O-N 3.29Å; E449-E453 PolarHBondContact O-N 2.85Å
450	H	77.6	Confident	81.4	Confident	134 Å²	134	43.8 Å²	43.8	62%	0.62	22%	0.223	S	C	*	.	H	α-helix	trans	-64	-37.5	176.3	173.9	-86.6	0	0	0	112.5	N448 E453 K454	N448-H450 PolarHBondContact O-N 2.89Å; N448-H450 PolarHBondContact OD1-N 2.81Å; H450-E453 PolarHBondContact O-N 3.45Å; H450-K454 WeakPolarHBondContact O-CB 3.43Å; H450-K454 PolarHBondContact O-N 3.21Å
451	E	82.7	Confident	81.3	Confident	58 Å²	58	45.6 Å²	45.6	27%	0.271	24%	0.237	S	C	.	.	H	α-helix	trans	-67	-34.7	169.2	-75.6	173.3	-135.4	0	0	112.2	A447 N448 E449 K454 D455	A447-E451 VanDerWaalsContact CB-OE2 3.29Å; A447-E451 WeakPolarHBondContact CB-OE2 3.37Å; A447-E451 PolarHBondContact N-OE2 2.88Å; N448-E451 PolarHBondContact ND2-OE1 3.41Å; N448-E451 WeakPolarHBondContact O-CB 3.42Å; N448-E451 PolarHBondContact O-N 2.96Å; N448-E451 PolarHBondContact OD1-N 2.97Å; E449-E451 PolarHBondContact O-N 2.73Å; E451-K454 PolarHBondContact O-N 3.32Å; E451-D455 VanDerWaalsContact O-CB 3.27Å; E451-D455 WeakPolarHBondContact O-CB 3.22Å; E451-D455 PolarHBondContact O-N 3Å
452	V	83.1	Confident	80.9	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-47	173.2	170.7	0	0	0	0	110.5	R326 V403 S446 N448 E449 K454 D455 I456	R326-V452 WeakPolarHBondContact O-CG1 3.32Å; V403-V452 HydrophobicContact CG2-CG2 3.88Å; S446-V452 VanDerWaalsContact CB-CG2 3.49Å; N448-V452 PolarHBondContact O-N 2.79Å; E449-V452 CarbonylContact O-C 3.53Å; E449-V452 WeakPolarHBondContact O-CA 3.46Å; E449-V452 WeakPolarHBondContact O-CB 3.42Å; E449-V452 PolarHBondContact O-N 3.29Å; V452-K454 PolarHBondContact O-N 2.93Å; V452-D455 PolarHBondContact O-N 3.35Å; V452-I456 HydrophobicContact CG1-CD1 3.62Å; V452-I456 HydrophobicContact CG1-CG1 4.18Å; V452-I456 WeakPolarHBondContact O-CB 3.34Å; V452-I456 VanDerWaalsContact O-CG1 3.23Å; V452-I456 WeakPolarHBondContact O-CG1 3.13Å; V452-I456 PolarHBondContact O-N 2.82Å
453	E	78.1	Confident	80.7	Confident	113 Å²	113	50.9 Å²	50.9	53%	0.528	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-43.9	176.9	-68.5	-169.5	136.5	0	0	111.8	E449 H450 I456 N457	E449-E453 PolarHBondContact O-N 2.85Å; H450-E453 PolarHBondContact O-N 3.45Å; E453-I456 PolarHBondContact O-N 2.66Å; E453-N457 WeakPolarHBondContact O-CB 3.38Å; E453-N457 PolarHBondContact O-N 3.4Å; E453-N457 PolarHBondContact O-ND2 3.2Å
454	K	82.4	Confident	80.6	Confident	56 Å²	56	53.1 Å²	53.1	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-47.9	174.8	-174.9	-175.5	173.4	-167.4	0	111.2	Y370 E373 H450 E451 V452 N457 V458	Y370-K454 PolarHBondContact O-NZ 2.66Å; E373-K454 IonicContact OE1-NZ 3.89Å; E373-K454 PolarHBondContact OE1-NZ 2.74Å; E373-K454 IonicContact OE2-NZ 2.6Å; H450-K454 WeakPolarHBondContact O-CB 3.43Å; H450-K454 PolarHBondContact O-N 3.21Å; E451-K454 PolarHBondContact O-N 3.32Å; V452-K454 PolarHBondContact O-N 2.93Å; K454-N457 PolarHBondContact O-N 3.34Å; K454-V458 VanDerWaalsContact O-CG2 3.31Å; K454-V458 WeakPolarHBondContact O-CG2 3.33Å; K454-V458 PolarHBondContact O-N 2.77Å
455	D	85.5	Confident	80.9	Confident	3 Å²	3	52 Å²	52	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-39.8	-179.3	-67.5	-5.1	0	0	0	111.4	V328 Y370 H444 S446 E451 V452 V458 F459	V328-D455 HydrophobicContact CB-CB 3.79Å; V328-D455 HydrophobicContact CG1-CB 4.2Å; V328-D455 HydrophobicContact CG2-CB 3.77Å; Y370-D455 WeakPolarHBondContact CE2-OD1 2.8Å; Y370-D455 PolarHBondContact OH-OD1 3.05Å; H444-D455 IonicContact CD2-OD2 3.02Å; H444-D455 IonicContact CE1-OD2 2.71Å; H444-D455 IonicContact NE2-OD1 3.65Å; H444-D455 IonicContact NE2-OD2 2.6Å; H444-D455 PolarHBondContact NE2-OD2 2.9Å; S446-D455 PolarHBondContact OG-OD2 3.29Å; E451-D455 VanDerWaalsContact O-CB 3.27Å; E451-D455 WeakPolarHBondContact O-CB 3.22Å; E451-D455 PolarHBondContact O-N 3Å; V452-D455 PolarHBondContact O-N 3.35Å; D455-V458 PolarHBondContact O-N 3.24Å; D455-F459 HydrophobicContact CB-CD2 4.19Å; D455-F459 HydrophobicContact CB-CE2 4.34Å; D455-F459 WeakPolarHBondContact O-CD2 3.34Å; D455-F459 PolarHBondContact O-N 3.38Å
456	I	82	Confident	81.3	Confident	45 Å²	45	51.6 Å²	51.6	23%	0.231	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-48.7	173.5	-73.8	173.2	0	0	0	110	V328 L396 V452 E453 V458 F460	V328-I456 HydrophobicContact CG2-CG1 3.63Å; L396-I456 HydrophobicContact CD1-CD1 3.88Å; L396-I456 HydrophobicContact CD1-CG1 3.84Å; V452-I456 HydrophobicContact CG1-CD1 3.62Å; V452-I456 HydrophobicContact CG1-CG1 4.18Å; V452-I456 WeakPolarHBondContact O-CB 3.34Å; V452-I456 VanDerWaalsContact O-CG1 3.23Å; V452-I456 WeakPolarHBondContact O-CG1 3.13Å; V452-I456 PolarHBondContact O-N 2.82Å; E453-I456 PolarHBondContact O-N 2.66Å; I456-V458 VanDerWaalsContact C-N 3.29Å; I456-V458 PolarHBondContact O-N 2.88Å; I456-F460 CarbonylContact O-C 3.56Å; I456-F460 WeakPolarHBondContact O-CA 3.36Å; I456-F460 WeakPolarHBondContact O-CB 3.4Å; I456-F460 PolarHBondContact O-N 3.19Å
457	N	78.3	Confident	81.8	Confident	101 Å²	101	51.6 Å²	51.6	54%	0.54	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-31	-179.5	-76.4	-54.1	0	0	0	113	E453 K454 P461	E453-N457 WeakPolarHBondContact O-CB 3.38Å; E453-N457 PolarHBondContact O-N 3.4Å; E453-N457 PolarHBondContact O-ND2 3.2Å; K454-N457 PolarHBondContact O-N 3.34Å; N457-P461 WeakPolarHBondContact O-CA 3.41Å; N457-P461 WeakPolarHBondContact O-CB 3.39Å
458	V	80.4	Confident	82.8	Confident	59 Å²	59	50.1 Å²	50.1	36%	0.358	26%	0.255	S	S	.	.	H	α-helix	trans	-80.1	-48.9	178.8	169	0	0	0	0	112.5	Y370 K454 D455 I456	Y370-V458 HydrophobicContact CD2-CB 4.29Å; Y370-V458 HydrophobicContact CD2-CG1 3.93Å; Y370-V458 HydrophobicContact CD2-CG2 3.91Å; Y370-V458 HydrophobicContact CE2-CB 4.47Å; Y370-V458 HydrophobicContact CE2-CG1 4.31Å; Y370-V458 HydrophobicContact CE2-CG2 4.38Å; Y370-V458 HydrophobicContact CG-CG1 4.22Å; K454-V458 VanDerWaalsContact O-CG2 3.31Å; K454-V458 WeakPolarHBondContact O-CG2 3.33Å; K454-V458 PolarHBondContact O-N 2.77Å; D455-V458 PolarHBondContact O-N 3.24Å; I456-V458 VanDerWaalsContact C-N 3.29Å; I456-V458 PolarHBondContact O-N 2.88Å
459	F	80.9	Confident	83.6	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-88.5	-32.8	-175.2	-62	-70.7	0	0	0	112.8	V328 V330 K358 I360 L362 Y370 A394 D455 P461	V328-F459 HydrophobicContact CG1-CD2 4.01Å; V330-F459 HydrophobicContact CG1-CE1 4.3Å; V330-F459 HydrophobicContact CG1-CZ 4.35Å; V330-F459 HydrophobicContact CG2-CD2 3.97Å; V330-F459 HydrophobicContact CG2-CE1 4.26Å; V330-F459 HydrophobicContact CG2-CE2 3.65Å; V330-F459 HydrophobicContact CG2-CG 4.46Å; V330-F459 HydrophobicContact CG2-CZ 3.81Å; K358-F459 PolarHBondContact NZ-O 2.92Å; I360-F459 HydrophobicContact CD1-CB 3.98Å; I360-F459 HydrophobicContact CD1-CD1 3.94Å; I360-F459 HydrophobicContact CD1-CG 4.47Å; I360-F459 VanDerWaalsContact CD1-O 3.24Å; I360-F459 WeakPolarHBondContact CD1-O 3.33Å; L362-F459 HydrophobicContact CD1-CE1 4.12Å; Y370-F459 HydrophobicContact CD1-CZ 4.42Å; Y370-F459 HydrophobicContact CE1-CE2 4.09Å; Y370-F459 AromaticContact CE1-CZ 3.71Å; Y370-F459 HydrophobicContact CE1-CZ 3.71Å; Y370-F459 HydrophobicContact CE2-CE2 4.25Å; Y370-F459 AromaticContact CZ-CE2 3.69Å; Y370-F459 AromaticContact CZ-CZ 3.82Å; Y370-F459 WeakPolarHBondContact OH-CE2 3.48Å; A394-F459 HydrophobicContact CB-CB 3.7Å; A394-F459 HydrophobicContact CB-CD1 4.08Å; A394-F459 HydrophobicContact CB-CG 3.96Å; D455-F459 HydrophobicContact CB-CD2 4.19Å; D455-F459 HydrophobicContact CB-CE2 4.34Å; D455-F459 WeakPolarHBondContact O-CD2 3.34Å; D455-F459 PolarHBondContact O-N 3.38Å; F459-P461 WeakPolarHBondContact O-CD 3.35Å
460	F	75.2	Confident	84.5	Confident	7 Å²	7	39.8 Å²	39.8	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-123.2	49	-178.7	-56.2	-79.5	0	0	0	113	V328 L356 K358 A394 L396 I456 V462 S537	V328-F460 HydrophobicContact CG1-CE2 4.25Å; L356-F460 HydrophobicContact CB-CD1 3.98Å; L356-F460 HydrophobicContact CB-CE1 3.57Å; L356-F460 HydrophobicContact CB-CZ 4.2Å; L356-F460 HydrophobicContact CD1-CB 4.44Å; L356-F460 HydrophobicContact CD1-CD1 3.7Å; L356-F460 HydrophobicContact CD1-CE1 4.19Å; L356-F460 HydrophobicContact CD1-CG 4.19Å; K358-F460 HydrophobicContact CB-CD1 4.42Å; K358-F460 HydrophobicContact CB-CE1 3.76Å; K358-F460 HydrophobicContact CD-CD1 4.34Å; K358-F460 HydrophobicContact CD-CE1 4.47Å; A394-F460 HydrophobicContact CB-CE2 3.93Å; A394-F460 HydrophobicContact CB-CZ 3.76Å; L396-F460 HydrophobicContact CB-CD2 4.27Å; L396-F460 HydrophobicContact CB-CE2 3.85Å; L396-F460 HydrophobicContact CB-CZ 4Å; I456-F460 CarbonylContact O-C 3.56Å; I456-F460 WeakPolarHBondContact O-CA 3.36Å; I456-F460 WeakPolarHBondContact O-CB 3.4Å; I456-F460 PolarHBondContact O-N 3.19Å; F460-V462 PolarHBondContact O-N 3.33Å; F460-S537 VanDerWaalsContact O-CB 3.3Å; F460-S537 WeakPolarHBondContact O-CB 3.35Å
461	P	73.6	Confident	85.3	Confident	58 Å²	58	34.7 Å²	34.7	38%	0.377	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-54.9	136.7	-179.7	22.3	-33.5	0	0	0	111.4	N457 F459 E463 S537	N457-P461 WeakPolarHBondContact O-CA 3.41Å; N457-P461 WeakPolarHBondContact O-CB 3.39Å; F459-P461 WeakPolarHBondContact O-CD 3.35Å; P461-E463 PolarHBondContact O-N 3.46Å; P461-S537 WeakPolarHBondContact O-CA 3.39Å
462	V	76.8	Confident	85.8	Confident	100 Å²	100	32.7 Å²	32.7	61%	0.606	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	119.3	174.3	-177.2	0	0	0	0	108.6	F460 T535	F460-V462 PolarHBondContact O-N 3.33Å; V462-T535 HydrophobicContact CG1-CG2 4.02Å
463	E	82.5	Confident	86.3	Confident	36 Å²	36	32.3 Å²	32.3	17%	0.168	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.8	175.8	-177.4	168.5	-102.2	0	0	109.5	P461 T535 R536 A539 I540 K582	P461-E463 PolarHBondContact O-N 3.46Å; E463-T535 WeakPolarHBondContact O-CA 3.45Å; E463-R536 WeakPolarHBondContact CA-O 3.4Å; E463-R536 WeakPolarHBondContact CB-O 3.21Å; E463-R536 PolarHBondContact N-O 3.22Å; E463-R536 PolarHBondContact O-N 3.01Å; E463-R536 VanDerWaalsContact O-O 3.12Å; E463-A539 HydrophobicContact CB-CB 4Å; E463-A539 HydrophobicContact CG-CB 4.19Å; E463-A539 WeakPolarHBondContact O-CB 3.32Å; E463-A539 PolarHBondContact OE2-N 3.37Å; E463-I540 HydrophobicContact CG-CD1 4.21Å; E463-I540 HydrophobicContact CG-CG1 4.09Å; E463-I540 WeakPolarHBondContact OE2-CB 3.44Å; E463-I540 PolarHBondContact OE2-N 3.2Å; E463-K582 WeakPolarHBondContact OE1-CE 3.24Å; E463-K582 IonicContact OE1-NZ 2.69Å; E463-K582 PolarHBondContact OE1-NZ 2.87Å
464	K	88.2	Confident	87.1	Confident	48 Å²	48	28.1 Å²	28.1	21%	0.209	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.6	170.7	-74.5	175.2	173.4	179	0	109.4	I533 L534 T535 V585 E600	K464-I533 HydrophobicContact CB-CG2 4.32Å; K464-I533 HydrophobicContact CD-CG2 4.31Å; K464-I533 HydrophobicContact CG-CG2 4.22Å; K464-L534 CarbonylContact C-O 3.43Å; K464-L534 WeakPolarHBondContact CA-O 3.44Å; K464-T535 HydrophobicContact CG-CG2 3.65Å; K464-V585 HydrophobicContact CB-CG1 4.23Å; K464-E600 IonicContact NZ-OE1 2.7Å; K464-E600 PolarHBondContact NZ-OE1 3.07Å
465	T	92.6	Very high	87.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.1	166.5	-168.7	0	0	0	0	110.5	L534 A539 W543	T465-L534 HydrophobicContact CG2-CB 3.94Å; T465-L534 PolarHBondContact N-O 2.91Å; T465-L534 PolarHBondContact O-N 2.78Å; T465-A539 HydrophobicContact CG2-CB 3.93Å; T465-W543 HydrophobicContact CG2-CB 3.84Å; T465-W543 HydrophobicContact CG2-CG 4.1Å
466	V	92.8	Very high	88	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134	167.5	-171.6	0	0	0	0	109.1	F531 M532 I533 W543 G578 S579 V585 I588	V466-F531 HydrophobicContact CG1-CD1 4.23Å; V466-M532 WeakPolarHBondContact CA-O 3.5Å; V466-I533 HydrophobicContact CG2-CD1 3.82Å; V466-W543 PolarHBondContact O-NE1 3.11Å; V466-G578 WeakPolarHBondContact O-CA 3.44Å; V466-S579 PolarHBondContact O-N 3.27Å; V466-V585 HydrophobicContact CG2-CG1 4.14Å; V466-I588 HydrophobicContact CB-CG2 4.32Å; V466-I588 HydrophobicContact CG1-CG2 3.88Å; V466-I588 HydrophobicContact CG2-CB 4.06Å; V466-I588 HydrophobicContact CG2-CG2 3.98Å
467	A	94.7	Very high	88.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	146.7	163.3	0	0	0	0	0	109.9	F531 M532 L534 W543	A467-F531 CarbonylContact O-C 3.49Å; A467-F531 WeakPolarHBondContact O-CA 3.27Å; A467-M532 HydrophobicContact CB-CB 4.44Å; A467-M532 HydrophobicContact CB-CE 4.48Å; A467-M532 PolarHBondContact N-O 3.34Å; A467-M532 PolarHBondContact O-N 3.45Å; A467-L534 HydrophobicContact CB-CD1 3.58Å; A467-L534 HydrophobicContact CB-CG 3.89Å; A467-W543 HydrophobicContact CB-CD2 4.27Å; A467-W543 VanDerWaalsContact CB-CE2 3.48Å; A467-W543 HydrophobicContact CB-CH2 4.26Å; A467-W543 HydrophobicContact CB-CZ2 3.5Å; A467-W543 VanDerWaalsContact CB-CZ2 3.5Å
468	A	95.1	Very high	89.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	122.5	174.8	0	0	0	0	0	110.2	T529 L530 F531 V576 H577	A468-T529 HydrophobicContact CB-CG2 4.3Å; A468-L530 CarbonylContact C-O 3.58Å; A468-L530 WeakPolarHBondContact CA-O 3.2Å; A468-F531 HydrophobicContact CB-CD1 3.56Å; A468-F531 HydrophobicContact CB-CE1 3.51Å; A468-F531 HydrophobicContact CB-CG 4.35Å; A468-F531 HydrophobicContact CB-CZ 4.25Å; A468-V576 CarbonylContact O-C 3.58Å; A468-V576 VanDerWaalsContact O-CA 3.27Å; A468-V576 WeakPolarHBondContact O-CA 3.49Å; A468-H577 HydrophobicContact CB-CB 4.33Å; A468-H577 PolarHBondContact N-O 3Å; A468-H577 PolarHBondContact O-N 3.27Å
469	I	96.1	Very high	90	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.3	172.9	-55.9	176.5	0	0	0	107.5	A473 R477 I480 I481 T529 L530 M532 V576	I469-A473 HydrophobicContact CG2-CB 4.27Å; I469-R477 HydrophobicContact CD1-CB 3.89Å; I469-R477 HydrophobicContact CG2-CB 4.09Å; I469-I480 HydrophobicContact CD1-CB 3.9Å; I469-I480 HydrophobicContact CD1-CG2 3.56Å; I469-I480 HydrophobicContact CG1-CG2 3.99Å; I469-I480 HydrophobicContact CG2-CD1 4.04Å; I469-I481 HydrophobicContact CD1-CG1 4.44Å; I469-T529 WeakPolarHBondContact O-CA 3.15Å; I469-T529 WeakPolarHBondContact O-CG2 3.4Å; I469-L530 HydrophobicContact CB-CB 4.38Å; I469-L530 HydrophobicContact CD1-CD2 4.27Å; I469-L530 PolarHBondContact N-O 2.83Å; I469-L530 PolarHBondContact O-N 3.01Å; I469-L530 VanDerWaalsContact O-N 3.08Å; I469-M532 HydrophobicContact CD1-CE 3.78Å; I469-M532 HydrophobicContact CG1-CE 4.17Å; I469-V576 HydrophobicContact CG1-CG1 4.19Å
470	K	95.1	Very high	90.6	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.035	19%	0.187	C	C	.	.			trans	-73.6	163	-172.1	-65.8	-177.2	155.8	-177.6	0	112.5	D472 A473 Y474 M524 L572 N574 A575	K470-D472 WeakPolarHBondContact CB-OD1 3.46Å; K470-D472 PolarHBondContact O-N 2.9Å; K470-D472 VanDerWaalsContact O-N 3.08Å; K470-A473 CarbonylContact O-C 2.93Å; K470-A473 PolarHBondContact O-N 2.6Å; K470-Y474 PolarHBondContact O-N 2.94Å; K470-M524 HydrophobicContact CB-SD 4.32Å; K470-M524 HydrophobicContact CD-SD 4.03Å; K470-M524 HydrophobicContact CG-CE 4.39Å; K470-M524 HydrophobicContact CG-SD 3.74Å; K470-L572 PolarHBondContact NZ-O 3.45Å; K470-N574 WeakPolarHBondContact CE-OD1 3.47Å; K470-N574 PolarHBondContact NZ-OD1 3.26Å; K470-A575 WeakPolarHBondContact CB-O 3.24Å; K470-A575 PolarHBondContact N-O 2.63Å
471	P	94.6	Very high	91.4	Very high	27 Å²	27	34.4 Å²	34.4	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.9	-179.8	-27.6	36.8	0	0	0	115.3	A473 Q528	P471-A473 VanDerWaalsContact C-N 3.29Å; P471-A473 PolarHBondContact O-N 2.66Å; P471-Q528 WeakPolarHBondContact CA-O 3.45Å; P471-Q528 WeakPolarHBondContact CG-O 3.28Å
472	D	93.6	Very high	92.2	Very high	16 Å²	16	36.7 Å²	36.7	9%	0.086	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.3	177.7	51.5	-60.4	0	0	0	114.8	K470 H523 R569 R573 N574 A575	K470-D472 WeakPolarHBondContact CB-OD1 3.46Å; K470-D472 PolarHBondContact O-N 2.9Å; K470-D472 VanDerWaalsContact O-N 3.08Å; D472-H523 IonicContact OD1-CD2 3.62Å; D472-H523 IonicContact OD1-CE1 2.67Å; D472-H523 PolarHBondContact OD1-CE1 2.83Å; D472-H523 VanDerWaalsContact OD1-CE1 3.29Å; D472-H523 IonicContact OD1-NE2 2.75Å; D472-H523 PolarHBondContact OD1-NE2 3.03Å; D472-R569 PolarHBondContact O-NH2 3.01Å; D472-R573 HydrophobicContact CB-CB 4.06Å; D472-R573 HydrophobicContact CB-CG 4.37Å; D472-R573 VanDerWaalsContact OD2-CA 3.24Å; D472-R573 WeakPolarHBondContact OD2-CA 3.29Å; D472-N574 PolarHBondContact OD2-N 3.36Å; D472-A575 WeakPolarHBondContact OD2-CA 3.44Å; D472-A575 PolarHBondContact OD2-N 3.34Å
473	A	94.7	Very high	93	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	6	179.3	0	0	0	0	0	113.8	I469 K470 P471 A475 N476 R477 I480 A575	I469-A473 HydrophobicContact CG2-CB 4.27Å; K470-A473 CarbonylContact O-C 2.93Å; K470-A473 PolarHBondContact O-N 2.6Å; P471-A473 VanDerWaalsContact C-N 3.29Å; P471-A473 PolarHBondContact O-N 2.66Å; A473-A475 PolarHBondContact O-N 2.98Å; A473-N476 CarbonylContact O-C 3.57Å; A473-N476 WeakPolarHBondContact O-CA 3.4Å; A473-N476 PolarHBondContact O-N 3.23Å; A473-R477 PolarHBondContact O-N 3.44Å; A473-I480 HydrophobicContact CB-CD1 4.03Å; A473-A575 HydrophobicContact CB-CB 3.47Å; A473-A575 VanDerWaalsContact CB-CB 3.47Å
474	Y	93.8	Very high	93.5	Very high	25 Å²	25	34.1 Å²	34.1	10%	0.098	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58.5	-32.1	179.8	-162.5	-90.4	0	0	0	113.4	K470 N476 R477 E496 Q528 L530	K470-Y474 PolarHBondContact O-N 2.94Å; Y474-N476 PolarHBondContact O-N 2.71Å; Y474-R477 WeakPolarHBondContact O-CB 3.38Å; Y474-R477 WeakPolarHBondContact O-CD 3.47Å; Y474-R477 WeakPolarHBondContact O-CG 3.25Å; Y474-R477 PolarHBondContact O-N 2.69Å; Y474-R477 PolarHBondContact O-NH1 2.68Å; Y474-E496 WeakPolarHBondContact OH-CB 3.44Å; Y474-E496 WeakPolarHBondContact OH-CG 3.3Å; Y474-E496 PolarHBondContact OH-OE2 2.95Å; Y474-Q528 HydrophobicContact CD1-CB 4.21Å; Y474-Q528 HydrophobicContact CD2-CB 3.94Å; Y474-Q528 VanDerWaalsContact CD2-O 3.22Å; Y474-Q528 WeakPolarHBondContact CD2-O 3.4Å; Y474-Q528 HydrophobicContact CE1-CB 3.92Å; Y474-Q528 HydrophobicContact CE2-CB 3.6Å; Y474-Q528 HydrophobicContact CG-CB 4.21Å; Y474-L530 HydrophobicContact CD2-CB 4.36Å; Y474-L530 HydrophobicContact CE2-CB 3.81Å
475	A	93.4	Very high	93.4	Very high	91 Å²	91	37 Å²	37	75%	0.752	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-64.1	-21.6	173.3	0	0	0	0	0	113.6	A473	A473-A475 PolarHBondContact O-N 2.98Å
476	N	94	Very high	93.1	Very high	64 Å²	64	41.6 Å²	41.6	34%	0.342	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-104.5	8	177.7	-65.8	90.7	0	0	0	112.7	A473 Y474 D478 E479 I480 Y567	A473-N476 CarbonylContact O-C 3.57Å; A473-N476 WeakPolarHBondContact O-CA 3.4Å; A473-N476 PolarHBondContact O-N 3.23Å; Y474-N476 PolarHBondContact O-N 2.71Å; N476-D478 PolarHBondContact O-N 3.06Å; N476-D478 VanDerWaalsContact O-N 3.09Å; N476-E479 PolarHBondContact O-N 3.33Å; N476-E479 VanDerWaalsContact O-N 3.16Å; N476-I480 HydrophobicContact CB-CD1 4.15Å; N476-I480 WeakPolarHBondContact O-CG1 3.27Å; N476-I480 PolarHBondContact O-N 2.98Å; N476-I480 VanDerWaalsContact O-N 3.09Å; N476-Y567 HydrophobicContact CB-CD1 3.79Å; N476-Y567 HydrophobicContact CB-CE1 3.79Å
477	R	94.8	Very high	92.8	Very high	59 Å²	59	42.9 Å²	42.9	22%	0.223	23%	0.233	C	C	.	.	H	α-helix	trans	-54.9	-35.8	-171.1	77.3	-159.3	177.4	-49.1	-30.6	113.2	I469 A473 Y474 I480 I481 E496 L530	I469-R477 HydrophobicContact CD1-CB 3.89Å; I469-R477 HydrophobicContact CG2-CB 4.09Å; A473-R477 PolarHBondContact O-N 3.44Å; Y474-R477 WeakPolarHBondContact O-CB 3.38Å; Y474-R477 WeakPolarHBondContact O-CD 3.47Å; Y474-R477 WeakPolarHBondContact O-CG 3.25Å; Y474-R477 PolarHBondContact O-N 2.69Å; Y474-R477 PolarHBondContact O-NH1 2.68Å; R477-I480 PolarHBondContact O-N 3.4Å; R477-I481 WeakPolarHBondContact O-CD1 3.41Å; R477-I481 WeakPolarHBondContact O-CG1 3.46Å; R477-I481 PolarHBondContact O-N 3.45Å; R477-E496 IonicContact NE-OE1 3.86Å; R477-L530 HydrophobicContact CB-CD2 4.29Å; R477-L530 HydrophobicContact CG-CD2 4.38Å
478	D	93.2	Very high	92.2	Very high	89 Å²	89	44.6 Å²	44.6	48%	0.476	25%	0.25	S	C	.	.	H	α-helix	trans	-68.8	-41.5	-176.6	-53	-52.6	0	0	0	111.7	N476 I481 E482	N476-D478 PolarHBondContact O-N 3.06Å; N476-D478 VanDerWaalsContact O-N 3.09Å; D478-I481 PolarHBondContact O-N 3.1Å; D478-E482 PolarHBondContact O-N 3.04Å
479	E	93.4	Very high	91.9	Very high	76 Å²	76	44.9 Å²	44.9	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-69.8	-33.7	173.8	-160	-158.4	154.9	0	0	111.6	N476 E482 R483 Y567	N476-E479 PolarHBondContact O-N 3.33Å; N476-E479 VanDerWaalsContact O-N 3.16Å; E479-E482 PolarHBondContact O-N 3.42Å; E479-R483 WeakPolarHBondContact O-CG 3.49Å; E479-R483 PolarHBondContact O-N 3.04Å; E479-R483 IonicContact OE1-CZ 3.68Å; E479-R483 IonicContact OE1-NE 3.69Å; E479-R483 PolarHBondContact OE1-NE 2.91Å; E479-R483 IonicContact OE1-NH2 3.85Å; E479-R483 PolarHBondContact OE1-NH2 2.68Å; E479-Y567 PolarHBondContact OE1-OH 2.79Å; E479-Y567 WeakPolarHBondContact OE2-CE1 3.16Å; E479-Y567 PolarHBondContact OE2-OH 3.29Å
480	I	94.4	Very high	91.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.3	-35.7	175.2	-65.5	168.4	0	0	0	110.8	I469 A473 N476 R477 R483 I484 I563 Y567 V576	I469-I480 HydrophobicContact CD1-CB 3.9Å; I469-I480 HydrophobicContact CD1-CG2 3.56Å; I469-I480 HydrophobicContact CG1-CG2 3.99Å; I469-I480 HydrophobicContact CG2-CD1 4.04Å; A473-I480 HydrophobicContact CB-CD1 4.03Å; N476-I480 HydrophobicContact CB-CD1 4.15Å; N476-I480 WeakPolarHBondContact O-CG1 3.27Å; N476-I480 PolarHBondContact O-N 2.98Å; N476-I480 VanDerWaalsContact O-N 3.09Å; R477-I480 PolarHBondContact O-N 3.4Å; I480-R483 PolarHBondContact O-N 3.02Å; I480-I484 HydrophobicContact CG2-CD1 4.02Å; I480-I484 WeakPolarHBondContact O-CD1 3.42Å; I480-I484 VanDerWaalsContact O-CG1 3.25Å; I480-I484 WeakPolarHBondContact O-CG1 3.49Å; I480-I484 PolarHBondContact O-N 2.96Å; I480-I563 HydrophobicContact CD1-CG2 4.34Å; I480-I563 HydrophobicContact CG1-CG2 4.26Å; I480-I563 HydrophobicContact CG2-CD1 4.25Å; I480-I563 HydrophobicContact CG2-CG2 4.18Å; I480-Y567 HydrophobicContact CD1-CD2 3.93Å; I480-Y567 HydrophobicContact CD1-CE2 4.16Å; I480-Y567 HydrophobicContact CD1-CG 4.14Å; I480-Y567 HydrophobicContact CG1-CD2 3.87Å; I480-Y567 HydrophobicContact CG1-CE1 4.48Å; I480-Y567 HydrophobicContact CG1-CE2 3.58Å; I480-Y567 HydrophobicContact CG1-CG 4.44Å; I480-V576 HydrophobicContact CG2-CG1 4.26Å
481	I	92.3	Very high	91	Very high	26 Å²	26	53.2 Å²	53.2	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-47.1	172.5	-67.4	158.6	0	0	0	110.5	I469 R477 D478 R483 I484 E485 L530 M532	I469-I481 HydrophobicContact CD1-CG1 4.44Å; R477-I481 WeakPolarHBondContact O-CD1 3.41Å; R477-I481 WeakPolarHBondContact O-CG1 3.46Å; R477-I481 PolarHBondContact O-N 3.45Å; D478-I481 PolarHBondContact O-N 3.1Å; I481-R483 PolarHBondContact O-N 3.48Å; I481-I484 WeakPolarHBondContact O-CA 3.43Å; I481-I484 WeakPolarHBondContact O-CB 3.36Å; I481-I484 PolarHBondContact O-N 3.43Å; I481-E485 HydrophobicContact CG2-CG 4.27Å; I481-E485 PolarHBondContact O-N 3.22Å; I481-L530 HydrophobicContact CD1-CD2 3.86Å; I481-M532 HydrophobicContact CG1-CE 4.16Å; I481-M532 HydrophobicContact CG1-SD 4.05Å
482	E	90.8	Very high	90.4	Very high	106 Å²	106	53.8 Å²	53.8	50%	0.495	30%	0.301	S	S	.	.	H	α-helix	trans	-57.5	-37.6	176.9	-172.6	175.2	-165.9	0	0	111.5	D478 E479 S486	D478-E482 PolarHBondContact O-N 3.04Å; E479-E482 PolarHBondContact O-N 3.42Å; E482-S486 WeakPolarHBondContact O-CB 3.5Å; E482-S486 PolarHBondContact O-N 2.98Å; E482-S486 PolarHBondContact O-OG 3.49Å
483	R	93.2	Very high	89.9	Confident	81 Å²	81	53.7 Å²	53.7	31%	0.306	30%	0.302	S	S	.	.	H	α-helix	trans	-67.5	-37.3	172.8	-70.5	173.8	-171.7	-91.6	-2.3	113.6	E479 I480 I481 A487 I566 Y567	E479-R483 WeakPolarHBondContact O-CG 3.49Å; E479-R483 PolarHBondContact O-N 3.04Å; E479-R483 IonicContact OE1-CZ 3.68Å; E479-R483 IonicContact OE1-NE 3.69Å; E479-R483 PolarHBondContact OE1-NE 2.91Å; E479-R483 IonicContact OE1-NH2 3.85Å; E479-R483 PolarHBondContact OE1-NH2 2.68Å; I480-R483 PolarHBondContact O-N 3.02Å; I481-R483 PolarHBondContact O-N 3.48Å; R483-A487 VanDerWaalsContact O-CB 3.24Å; R483-A487 WeakPolarHBondContact O-CB 3.28Å; R483-A487 PolarHBondContact O-N 2.99Å; R483-I566 VanDerWaalsContact NH1-CD1 3.25Å; R483-Y567 PolarHBondContact NE-OH 3.11Å
484	I	92	Very high	89.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-48.6	176.4	-75.6	164.1	0	0	0	110.3	I480 I481 A487 F489 M532 L534 W543 L546	I480-I484 HydrophobicContact CG2-CD1 4.02Å; I480-I484 WeakPolarHBondContact O-CD1 3.42Å; I480-I484 VanDerWaalsContact O-CG1 3.25Å; I480-I484 WeakPolarHBondContact O-CG1 3.49Å; I480-I484 PolarHBondContact O-N 2.96Å; I481-I484 WeakPolarHBondContact O-CA 3.43Å; I481-I484 WeakPolarHBondContact O-CB 3.36Å; I481-I484 PolarHBondContact O-N 3.43Å; I484-A487 PolarHBondContact O-N 3.28Å; I484-F489 HydrophobicContact CG2-CB 3.64Å; I484-F489 HydrophobicContact CG2-CG 4.27Å; I484-F489 WeakPolarHBondContact O-CB 3.47Å; I484-F489 WeakPolarHBondContact O-CD2 3.31Å; I484-F489 PolarHBondContact O-N 2.88Å; I484-M532 HydrophobicContact CD1-CE 3.7Å; I484-L534 HydrophobicContact CD1-CD1 4.41Å; I484-L534 HydrophobicContact CG2-CD1 3.74Å; I484-L534 HydrophobicContact CG2-CD2 3.8Å; I484-L534 HydrophobicContact CG2-CG 4.41Å; I484-W543 HydrophobicContact CD1-CH2 3.82Å; I484-W543 HydrophobicContact CD1-CZ3 3.77Å; I484-W543 HydrophobicContact CG1-CE3 4.33Å; I484-W543 HydrophobicContact CG1-CH2 4.15Å; I484-W543 HydrophobicContact CG1-CZ3 3.57Å; I484-L546 HydrophobicContact CG1-CD2 4.25Å
485	E	86.7	Confident	89.6	Confident	109 Å²	109	64.2 Å²	64.2	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-46.3	178.9	-66.7	178.4	162.7	0	0	111	I481 A487 G488	I481-E485 HydrophobicContact CG2-CG 4.27Å; I481-E485 PolarHBondContact O-N 3.22Å; E485-A487 PolarHBondContact O-N 3.08Å; E485-G488 PolarHBondContact O-N 2.94Å
486	S	85.6	Confident	89.6	Confident	97 Å²	97	64.8 Å²	64.8	68%	0.678	33%	0.33	S	S	*	.	H	α-helix	trans	-60.6	-27.4	175.1	-60.5	0	0	0	0	113.4	E482 G488	E482-S486 WeakPolarHBondContact O-CB 3.5Å; E482-S486 PolarHBondContact O-N 2.98Å; E482-S486 PolarHBondContact O-OG 3.49Å; S486-G488 PolarHBondContact O-N 3.5Å
487	A	87.6	Confident	89.4	Confident	27 Å²	27	63.8 Å²	63.8	22%	0.223	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	1.6	174.2	0	0	0	0	0	113.6	R483 I484 E485 F489 R536 L546	R483-A487 VanDerWaalsContact O-CB 3.24Å; R483-A487 WeakPolarHBondContact O-CB 3.28Å; R483-A487 PolarHBondContact O-N 2.99Å; I484-A487 PolarHBondContact O-N 3.28Å; E485-A487 PolarHBondContact O-N 3.08Å; A487-F489 HydrophobicContact CB-CD2 4.06Å; A487-F489 HydrophobicContact CB-CE2 4.23Å; A487-R536 PolarHBondContact O-NH1 3.06Å; A487-R536 PolarHBondContact O-NH2 3.08Å; A487-L546 HydrophobicContact CB-CD1 3.98Å; A487-L546 HydrophobicContact CB-CD2 3.56Å; A487-L546 HydrophobicContact CB-CG 4.39Å
488	G	82.8	Confident	89.3	Confident	35 Å²	35	64.6 Å²	64.6	36%	0.361	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	23.8	176.7	0	0	0	0	0	114.9	E485 S486 R536	E485-G488 PolarHBondContact O-N 2.94Å; S486-G488 PolarHBondContact O-N 3.5Å; G488-R536 WeakPolarHBondContact O-CD 3.44Å; G488-R536 WeakPolarHBondContact O-CG 3.21Å
489	F	88.9	Confident	89.1	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.026	32%	0.317	C	S	.	.			trans	-94.4	144.4	169.7	-69.1	-91.8	0	0	0	111.1	I484 A487 L534 R536 A539 W543 L546	I484-F489 HydrophobicContact CG2-CB 3.64Å; I484-F489 HydrophobicContact CG2-CG 4.27Å; I484-F489 WeakPolarHBondContact O-CB 3.47Å; I484-F489 WeakPolarHBondContact O-CD2 3.31Å; I484-F489 PolarHBondContact O-N 2.88Å; A487-F489 HydrophobicContact CB-CD2 4.06Å; A487-F489 HydrophobicContact CB-CE2 4.23Å; F489-L534 HydrophobicContact CB-CB 4.44Å; F489-L534 HydrophobicContact CB-CD1 4.45Å; F489-L534 HydrophobicContact CD1-CB 3.89Å; F489-L534 HydrophobicContact CD1-CD1 4.13Å; F489-L534 HydrophobicContact CG-CD1 4.32Å; F489-R536 HydrophobicContact CD1-CB 3.71Å; F489-R536 HydrophobicContact CD1-CG 4.47Å; F489-R536 HydrophobicContact CE1-CB 3.84Å; F489-R536 HydrophobicContact CE1-CG 4.44Å; F489-R536 HydrophobicContact CG-CB 4.4Å; F489-A539 HydrophobicContact CE1-CB 4.02Å; F489-W543 HydrophobicContact CE1-CB 4.12Å; F489-W543 HydrophobicContact CZ-CB 4.07Å; F489-L546 HydrophobicContact CD2-CD2 4.42Å; F489-L546 HydrophobicContact CE2-CD2 4.24Å
490	H	83.8	Confident	89	Confident	134 Å²	134	60.5 Å²	60.5	62%	0.62	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	137	170.6	-55.8	71.7	0	0	0	108.8	A492 L534 T535	H490-A492 PolarHBondContact O-N 2.82Å; H490-L534 CarbonylContact O-C 3.53Å; H490-L534 WeakPolarHBondContact O-CA 3.46Å; H490-T535 PolarHBondContact N-O 2.67Å; H490-T535 PolarHBondContact O-N 3.46Å; H490-T535 PolarHBondContact O-OG1 2.99Å
491	V	87.9	Confident	88.8	Confident	49 Å²	49	64.2 Å²	64.2	30%	0.297	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	100.4	176.7	-176.3	0	0	0	0	108.9	R494 M532 L534	V491-R494 HydrophobicContact CG1-CB 4.3Å; V491-M532 HydrophobicContact CG1-CB 4.3Å; V491-M532 HydrophobicContact CG1-CG 4.18Å; V491-M532 HydrophobicContact CG1-SD 4.14Å; V491-M532 HydrophobicContact CG2-SD 4.18Å; V491-L534 HydrophobicContact CB-CD2 4.46Å; V491-L534 HydrophobicContact CG2-CD2 3.86Å
492	A	81.9	Confident	88.6	Confident	40 Å²	40	67.4 Å²	67.4	33%	0.331	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-26.6	-178.5	0	0	0	0	0	113.3	H490 I533 T535	H490-A492 PolarHBondContact O-N 2.82Å; A492-I533 HydrophobicContact CB-CG2 4.33Å; A492-I533 PolarHBondContact N-O 2.85Å; A492-T535 HydrophobicContact CB-CG2 3.88Å
493	A	83.4	Confident	88.5	Confident	14 Å²	14	65 Å²	65	12%	0.116	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155.4	170.6	0	0	0	0	0	110.3	M532 I533 F593	A493-M532 CarbonylContact O-C 3.54Å; A493-M532 VanDerWaalsContact O-CA 3.26Å; A493-M532 WeakPolarHBondContact O-CA 3.47Å; A493-I533 HydrophobicContact CB-CB 4.16Å; A493-I533 HydrophobicContact CB-CG1 4.02Å; A493-I533 PolarHBondContact N-O 2.73Å; A493-I533 PolarHBondContact O-N 3.44Å; A493-F593 HydrophobicContact CB-CD1 4.06Å; A493-F593 HydrophobicContact CB-CE1 3.95Å
494	R	92.1	Very high	88.4	Confident	172 Å²	172	61.2 Å²	61.2	65%	0.649	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.5	173.6	67.7	177.8	-177.4	-176.4	0.2	112.2	V491 L530 F531 M532	V491-R494 HydrophobicContact CG1-CB 4.3Å; R494-L530 HydrophobicContact CB-CD1 4.1Å; R494-F531 CarbonylContact C-O 3.09Å; R494-F531 WeakPolarHBondContact CA-O 3.11Å; R494-M532 HydrophobicContact CB-CG 4Å
495	K	88.7	Confident	88.3	Confident	74 Å²	74	66.1 Å²	66.1	32%	0.322	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	114.8	176.5	-170.7	166.8	-174	164	0	110.6	F531 L592 F593	K495-F531 PolarHBondContact N-O 3.05Å; K495-F531 PolarHBondContact O-N 3.3Å; K495-L592 WeakPolarHBondContact CD-O 3.23Å; K495-L592 WeakPolarHBondContact CE-O 3.17Å; K495-L592 PolarHBondContact NZ-O 3.06Å; K495-F593 HydrophobicContact CB-CD1 4.38Å; K495-F593 HydrophobicContact CB-CE1 3.71Å; K495-F593 HydrophobicContact CB-CZ 3.97Å
496	E	93.7	Very high	88.3	Confident	102 Å²	102	66.6 Å²	66.6	48%	0.477	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.2	171.2	-64.3	-173	177	0	0	109	Y474 R477 L530	Y474-E496 WeakPolarHBondContact OH-CB 3.44Å; Y474-E496 WeakPolarHBondContact OH-CG 3.3Å; Y474-E496 PolarHBondContact OH-OE2 2.95Å; R477-E496 IonicContact NE-OE1 3.86Å; E496-L530 HydrophobicContact CG-CB 4.25Å; E496-L530 HydrophobicContact CG-CD1 3.73Å; E496-L530 HydrophobicContact CG-CG 4.42Å
497	T	90.6	Very high	88.3	Confident	44 Å²	44	62.3 Å²	62.3	27%	0.27	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	147.4	-178.7	-167.4	0	0	0	0	112.9	L499 T529 F531	T497-L499 HydrophobicContact CG2-CD2 4.01Å; T497-T529 PolarHBondContact N-O 2.88Å; T497-T529 PolarHBondContact O-N 2.92Å; T497-F531 HydrophobicContact CG2-CD2 4.03Å; T497-F531 HydrophobicContact CG2-CE2 4.08Å
498	T	91.9	Very high	88.2	Confident	76 Å²	76	61.5 Å²	61.5	47%	0.466	31%	0.311	S	S	.	.			trans	-92.5	115.7	163.9	-58.6	0	0	0	0	107.7
499	L	89.6	Confident	88.3	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	32%	0.317	C	S	.	.			trans	-69	136.2	-173.9	-65.7	169.5	0	0	0	111.8	T497 I503 A504 L507 M524 F531 L592	T497-L499 HydrophobicContact CG2-CD2 4.01Å; L499-I503 HydrophobicContact CD2-CB 4.44Å; L499-I503 HydrophobicContact CD2-CG2 3.76Å; L499-A504 HydrophobicContact CB-CB 4.28Å; L499-A504 HydrophobicContact CD1-CB 4.44Å; L499-L507 HydrophobicContact CD1-CD1 3.75Å; L499-L507 HydrophobicContact CD2-CD1 3.73Å; L499-L507 HydrophobicContact CG-CD1 4.41Å; L499-M524 HydrophobicContact CD1-CB 4.11Å; L499-M524 HydrophobicContact CD1-CE 3.73Å; L499-F531 HydrophobicContact CD1-CE2 4.13Å; L499-F531 HydrophobicContact CD1-CZ 4.01Å; L499-F531 HydrophobicContact CD2-CE2 3.86Å; L499-F531 HydrophobicContact CD2-CZ 4.2Å; L499-F531 HydrophobicContact CG-CE2 4.21Å; L499-L592 HydrophobicContact CD2-CD2 4.31Å
500	T	90.7	Very high	88	Confident	75 Å²	75	70 Å²	70	46%	0.46	35%	0.345	S	S	.	.			trans	-71.9	155.3	163.2	72.4	0	0	0	0	109.8	D502 I503 A504	T500-D502 PolarHBondContact O-N 2.9Å; T500-D502 VanDerWaalsContact O-N 3.13Å; T500-I503 HydrophobicContact CG2-CD1 4.37Å; T500-I503 PolarHBondContact O-N 3.38Å; T500-I503 WeakPolarHBondContact OG1-CG1 3.44Å; T500-I503 PolarHBondContact OG1-N 3.08Å; T500-A504 WeakPolarHBondContact O-CB 3.45Å; T500-A504 PolarHBondContact O-N 3.33Å
501	K	90.8	Very high	87.8	Confident	77 Å²	77	65.3 Å²	65.3	34%	0.335	33%	0.327	S	S	.	.	H	α-helix	trans	-59.3	-28.6	-178.5	-168.2	154.1	-177.2	155.2	0	113.1	R505 V521 N522 V525	K501-R505 WeakPolarHBondContact O-CB 3.2Å; K501-R505 WeakPolarHBondContact O-CD 3.24Å; K501-R505 WeakPolarHBondContact O-CG 3.16Å; K501-R505 PolarHBondContact O-N 2.8Å; K501-V521 HydrophobicContact CD-CG1 4.42Å; K501-V521 HydrophobicContact CG-CG1 3.81Å; K501-N522 PolarHBondContact NZ-OD1 2.8Å; K501-V525 HydrophobicContact CB-CG2 4.27Å
502	D	88.8	Confident	87.5	Confident	93 Å²	93	66.5 Å²	66.5	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-85	-31.3	-179.6	-57.6	-46.1	0	0	0	113.2	T500 R505 K506	T500-D502 PolarHBondContact O-N 2.9Å; T500-D502 VanDerWaalsContact O-N 3.13Å; D502-R505 IonicContact OD1-CZ 3.83Å; D502-R505 IonicContact OD1-NH1 3.02Å; D502-R505 PolarHBondContact OD1-NH1 2.96Å; D502-K506 WeakPolarHBondContact O-CG 3.42Å; D502-K506 PolarHBondContact O-N 3.06Å
503	I	87.9	Confident	87.4	Confident	57 Å²	57	68.1 Å²	68.1	29%	0.292	36%	0.358	S	S	.	.	H	α-helix	trans	-68.1	-43.7	167.5	-61	168.4	0	0	0	109.5	L499 T500 R505 K506 L507 L592	L499-I503 HydrophobicContact CD2-CB 4.44Å; L499-I503 HydrophobicContact CD2-CG2 3.76Å; T500-I503 HydrophobicContact CG2-CD1 4.37Å; T500-I503 PolarHBondContact O-N 3.38Å; T500-I503 WeakPolarHBondContact OG1-CG1 3.44Å; T500-I503 PolarHBondContact OG1-N 3.08Å; I503-R505 VanDerWaalsContact C-N 3.35Å; I503-R505 PolarHBondContact O-N 3.21Å; I503-K506 PolarHBondContact O-N 3.06Å; I503-L507 HydrophobicContact CG2-CD1 4.1Å; I503-L507 HydrophobicContact CG2-CG 4.34Å; I503-L507 WeakPolarHBondContact O-CG 3.41Å; I503-L507 PolarHBondContact O-N 2.82Å; I503-L592 HydrophobicContact CG2-CD2 3.77Å
504	A	90.1	Very high	87.6	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-41.5	175.8	0	0	0	0	0	112.5	L499 T500 L507 Y508 V521 M524 V525	L499-A504 HydrophobicContact CB-CB 4.28Å; L499-A504 HydrophobicContact CD1-CB 4.44Å; T500-A504 WeakPolarHBondContact O-CB 3.45Å; T500-A504 PolarHBondContact O-N 3.33Å; A504-L507 PolarHBondContact O-N 3.11Å; A504-Y508 WeakPolarHBondContact O-CD2 3.41Å; A504-Y508 PolarHBondContact O-N 3.47Å; A504-Y508 VanDerWaalsContact O-N 3.12Å; A504-V521 HydrophobicContact CB-CG1 4.17Å; A504-M524 HydrophobicContact CB-CB 4.48Å; A504-V525 HydrophobicContact CB-CG2 3.77Å
505	R	90.4	Very high	87.2	Confident	104 Å²	104	69.6 Å²	69.6	39%	0.392	38%	0.38	S	S	.	.	H	α-helix	trans	-59.4	-49.1	171.9	-79.2	162.1	168.7	160.5	-8.3	112.4	K501 D502 I503 L507 Y508 E509 Y517 V521	K501-R505 WeakPolarHBondContact O-CB 3.2Å; K501-R505 WeakPolarHBondContact O-CD 3.24Å; K501-R505 WeakPolarHBondContact O-CG 3.16Å; K501-R505 PolarHBondContact O-N 2.8Å; D502-R505 IonicContact OD1-CZ 3.83Å; D502-R505 IonicContact OD1-NH1 3.02Å; D502-R505 PolarHBondContact OD1-NH1 2.96Å; I503-R505 VanDerWaalsContact C-N 3.35Å; I503-R505 PolarHBondContact O-N 3.21Å; R505-L507 PolarHBondContact O-N 3.04Å; R505-Y508 CarbonylContact O-C 3.59Å; R505-Y508 PolarHBondContact O-N 3.22Å; R505-E509 WeakPolarHBondContact O-CA 3.49Å; R505-E509 PolarHBondContact O-N 3.06Å; R505-Y517 WeakPolarHBondContact CA-OH 3.27Å; R505-Y517 PolarHBondContact O-OH 2.81Å; R505-V521 HydrophobicContact CG-CG1 4.2Å; R505-V521 HydrophobicContact CG-CG2 4.35Å
506	K	88	Confident	87	Confident	118 Å²	118	70.3 Å²	70.3	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-60.9	-44.1	177.5	-74.1	176.4	178.2	-175.9	0	111.8	D502 I503 Y508 E509 R587 L591	D502-K506 WeakPolarHBondContact O-CG 3.42Å; D502-K506 PolarHBondContact O-N 3.06Å; I503-K506 PolarHBondContact O-N 3.06Å; K506-Y508 PolarHBondContact O-N 3.49Å; K506-E509 WeakPolarHBondContact O-CB 3.27Å; K506-E509 PolarHBondContact O-N 3.1Å; K506-R587 PolarHBondContact O-NH1 3.06Å; K506-R587 PolarHBondContact O-NH2 2.76Å; K506-L591 HydrophobicContact CB-CD1 4.39Å; K506-L591 HydrophobicContact CB-CD2 3.67Å; K506-L591 HydrophobicContact CD-CD1 3.94Å
507	L	85.5	Confident	86.8	Confident	7 Å²	7	66.9 Å²	66.9	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-56.1	-50.8	177.1	-75.1	169.1	0	0	0	111.5	L499 I503 A504 R505 F531 R587 I588 L591 L592	L499-L507 HydrophobicContact CD1-CD1 3.75Å; L499-L507 HydrophobicContact CD2-CD1 3.73Å; L499-L507 HydrophobicContact CG-CD1 4.41Å; I503-L507 HydrophobicContact CG2-CD1 4.1Å; I503-L507 HydrophobicContact CG2-CG 4.34Å; I503-L507 WeakPolarHBondContact O-CG 3.41Å; I503-L507 PolarHBondContact O-N 2.82Å; A504-L507 PolarHBondContact O-N 3.11Å; R505-L507 PolarHBondContact O-N 3.04Å; L507-F531 HydrophobicContact CD1-CE1 4.35Å; L507-F531 HydrophobicContact CD1-CZ 3.8Å; L507-R587 PolarHBondContact O-NH2 2.94Å; L507-I588 HydrophobicContact CD2-CB 4.4Å; L507-I588 HydrophobicContact CD2-CG1 4.04Å; L507-I588 HydrophobicContact CD2-CG2 3.76Å; L507-L591 HydrophobicContact CD2-CD2 3.83Å; L507-L591 HydrophobicContact CG-CD2 3.94Å; L507-L592 HydrophobicContact CD1-CD1 4.43Å; L507-L592 HydrophobicContact CD1-CD2 4.4Å; L507-L592 HydrophobicContact CD2-CD1 3.89Å; L507-L592 HydrophobicContact CD2-CD2 4.47Å; L507-L592 HydrophobicContact CD2-CG 4.17Å
508	Y	84.4	Confident	86.8	Confident	11 Å²	11	69.1 Å²	69.1	4%	0.043	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	22.6	-175.4	-62.6	-75.6	0	0	0	114.2	A504 R505 K506 N510 C511 Y517 L520 M524	A504-Y508 WeakPolarHBondContact O-CD2 3.41Å; A504-Y508 PolarHBondContact O-N 3.47Å; A504-Y508 VanDerWaalsContact O-N 3.12Å; R505-Y508 CarbonylContact O-C 3.59Å; R505-Y508 PolarHBondContact O-N 3.22Å; K506-Y508 PolarHBondContact O-N 3.49Å; Y508-N510 PolarHBondContact O-N 3.14Å; Y508-C511 WeakPolarHBondContact O-CA 3.46Å; Y508-C511 VanDerWaalsContact O-CB 3.31Å; Y508-C511 WeakPolarHBondContact O-CB 3.42Å; Y508-C511 PolarHBondContact O-N 3.26Å; Y508-Y517 VanDerWaalsContact O-CE2 3.26Å; Y508-Y517 WeakPolarHBondContact O-CE2 3.35Å; Y508-L520 HydrophobicContact CD1-CD2 3.7Å; Y508-L520 HydrophobicContact CD1-CG 4.36Å; Y508-L520 HydrophobicContact CD2-CG 4.47Å; Y508-L520 HydrophobicContact CE1-CD2 4.17Å; Y508-L520 HydrophobicContact CG-CD2 3.9Å; Y508-L520 HydrophobicContact CG-CG 4.27Å; Y508-M524 HydrophobicContact CD2-CG 4.33Å; Y508-M524 HydrophobicContact CE2-CB 4.22Å; Y508-M524 HydrophobicContact CE2-CE 4.29Å; Y508-M524 HydrophobicContact CE2-CG 3.55Å; Y508-M524 HydrophobicContact CE2-SD 4.16Å; Y508-M524 PolarHBondContact OH-SD 2.92Å
509	E	85.5	Confident	86.7	Confident	106 Å²	106	69.8 Å²	69.8	50%	0.495	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-54.2	-36.7	-177.1	-177.6	169.1	-146.2	0	0	113.6	R505 K506 C511 S512 R587	R505-E509 WeakPolarHBondContact O-CA 3.49Å; R505-E509 PolarHBondContact O-N 3.06Å; K506-E509 WeakPolarHBondContact O-CB 3.27Å; K506-E509 PolarHBondContact O-N 3.1Å; E509-C511 PolarHBondContact O-N 2.95Å; E509-C511 VanDerWaalsContact O-N 3.16Å; E509-S512 WeakPolarHBondContact O-CB 3.47Å; E509-S512 PolarHBondContact O-N 2.98Å; E509-S512 PolarHBondContact O-OG 3.34Å; E509-R587 IonicContact OE2-NH1 2.75Å; E509-R587 PolarHBondContact OE2-NH1 3.41Å
510	N	81.6	Confident	86.7	Confident	113 Å²	113	70.2 Å²	70.2	60%	0.604	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-59.3	-22.5	173.3	-64.6	-18.4	0	0	0	113.5	Y508	Y508-N510 PolarHBondContact O-N 3.14Å
511	C	80.7	Confident	86.8	Confident	36 Å²	36	66.7 Å²	66.7	24%	0.243	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-94.1	-0.3	176.6	-59.8	0	0	0	0	113	Y508 E509 G513 Q514 F516 Y517	Y508-C511 WeakPolarHBondContact O-CA 3.46Å; Y508-C511 VanDerWaalsContact O-CB 3.31Å; Y508-C511 WeakPolarHBondContact O-CB 3.42Å; Y508-C511 PolarHBondContact O-N 3.26Å; E509-C511 PolarHBondContact O-N 2.95Å; E509-C511 VanDerWaalsContact O-N 3.16Å; C511-G513 VanDerWaalsContact C-N 3.25Å; C511-G513 PolarHBondContact O-N 2.86Å; C511-Q514 VanDerWaalsContact O-CB 3.25Å; C511-Q514 WeakPolarHBondContact O-CB 3.38Å; C511-Q514 WeakPolarHBondContact O-CG 3.35Å; C511-Q514 PolarHBondContact O-N 2.95Å; C511-F516 HydrophobicContact CB-CE2 4.49Å; C511-Y517 HydrophobicContact CB-CD2 4.08Å; C511-Y517 WeakPolarHBondContact O-CB 3.45Å
512	S	80.3	Confident	86.8	Confident	73 Å²	73	66.4 Å²	66.4	51%	0.51	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.3	-167.4	53.2	0	0	0	0	116.2	E509	E509-S512 WeakPolarHBondContact O-CB 3.47Å; E509-S512 PolarHBondContact O-N 2.98Å; E509-S512 PolarHBondContact O-OG 3.34Å
513	G	81.3	Confident	86.9	Confident	75 Å²	75	63.2 Å²	63.2	77%	0.773	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.5	176	0	0	0	0	0	115.5	C511	C511-G513 VanDerWaalsContact C-N 3.25Å; C511-G513 PolarHBondContact O-N 2.86Å
514	Q	86.2	Confident	87.2	Confident	100 Å²	100	60.5 Å²	60.5	47%	0.467	33%	0.328	S	S	.	.	S	Bend	trans	-87.2	141.9	-176.2	-62.9	-65.1	-27.5	0	0	112	C511 F516 Y517	C511-Q514 VanDerWaalsContact O-CB 3.25Å; C511-Q514 WeakPolarHBondContact O-CB 3.38Å; C511-Q514 WeakPolarHBondContact O-CG 3.35Å; C511-Q514 PolarHBondContact O-N 2.95Å; Q514-F516 HydrophobicContact CB-CD1 4Å; Q514-F516 HydrophobicContact CB-CD2 4.36Å; Q514-F516 HydrophobicContact CB-CE1 3.59Å; Q514-F516 HydrophobicContact CB-CE2 3.98Å; Q514-F516 HydrophobicContact CB-CG 4.36Å; Q514-F516 HydrophobicContact CB-CZ 3.58Å; Q514-F516 HydrophobicContact CG-CE1 3.97Å; Q514-F516 HydrophobicContact CG-CE2 4.4Å; Q514-F516 HydrophobicContact CG-CZ 3.72Å; Q514-F516 PolarHBondContact O-N 3.21Å; Q514-F516 VanDerWaalsContact O-N 3.15Å; Q514-Y517 WeakPolarHBondContact O-CB 3.28Å; Q514-Y517 PolarHBondContact O-N 3.19Å
515	P	84.2	Confident	87.3	Confident	116 Å²	116	62.7 Å²	62.7	75%	0.753	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.9	-178.8	-27.3	35.1	0	0	0	114	Y517	P515-Y517 VanDerWaalsContact C-N 3.29Å; P515-Y517 PolarHBondContact O-N 3.34Å
516	F	85.6	Confident	87.4	Confident	89 Å²	89	61.9 Å²	61.9	39%	0.39	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.7	-179	60.5	-101.2	0	0	0	114.4	C511 Q514 N518 D519 L520 L572	C511-F516 HydrophobicContact CB-CE2 4.49Å; Q514-F516 HydrophobicContact CB-CD1 4Å; Q514-F516 HydrophobicContact CB-CD2 4.36Å; Q514-F516 HydrophobicContact CB-CE1 3.59Å; Q514-F516 HydrophobicContact CB-CE2 3.98Å; Q514-F516 HydrophobicContact CB-CG 4.36Å; Q514-F516 HydrophobicContact CB-CZ 3.58Å; Q514-F516 HydrophobicContact CG-CE1 3.97Å; Q514-F516 HydrophobicContact CG-CE2 4.4Å; Q514-F516 HydrophobicContact CG-CZ 3.72Å; Q514-F516 PolarHBondContact O-N 3.21Å; Q514-F516 VanDerWaalsContact O-N 3.15Å; F516-N518 PolarHBondContact O-N 3.02Å; F516-D519 PolarHBondContact O-N 2.92Å; F516-L520 HydrophobicContact CE2-CD2 4.47Å; F516-L520 WeakPolarHBondContact O-CB 3.09Å; F516-L520 PolarHBondContact O-N 2.84Å; F516-L572 HydrophobicContact CB-CD2 4.28Å
517	Y	88.3	Confident	87.6	Confident	30 Å²	30	57.3 Å²	57.3	12%	0.118	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-45	-173.4	174.3	-123.9	0	0	0	113.1	R505 Y508 C511 Q514 P515 D519 L520 V521	R505-Y517 WeakPolarHBondContact CA-OH 3.27Å; R505-Y517 PolarHBondContact O-OH 2.81Å; Y508-Y517 VanDerWaalsContact O-CE2 3.26Å; Y508-Y517 WeakPolarHBondContact O-CE2 3.35Å; C511-Y517 HydrophobicContact CB-CD2 4.08Å; C511-Y517 WeakPolarHBondContact O-CB 3.45Å; Q514-Y517 WeakPolarHBondContact O-CB 3.28Å; Q514-Y517 PolarHBondContact O-N 3.19Å; P515-Y517 VanDerWaalsContact C-N 3.29Å; P515-Y517 PolarHBondContact O-N 3.34Å; Y517-D519 VanDerWaalsContact C-N 3.32Å; Y517-D519 PolarHBondContact O-N 2.92Å; Y517-L520 PolarHBondContact O-N 3.06Å; Y517-V521 HydrophobicContact CD2-CG2 4.02Å; Y517-V521 HydrophobicContact CE2-CG2 3.63Å; Y517-V521 WeakPolarHBondContact O-CB 3.24Å; Y517-V521 WeakPolarHBondContact O-CG2 3.33Å; Y517-V521 PolarHBondContact O-N 2.85Å
518	N	90.6	Very high	87.9	Confident	92 Å²	92	61.8 Å²	61.8	49%	0.492	36%	0.358	S	S	.	.	H	α-helix	trans	-65.4	-37.3	179.9	-73.5	-63.6	0	0	0	111.8	F516 V521 N522	F516-N518 PolarHBondContact O-N 3.02Å; N518-V521 PolarHBondContact O-N 2.66Å; N518-N522 WeakPolarHBondContact O-CB 3.49Å; N518-N522 PolarHBondContact O-N 3.39Å; N518-N522 PolarHBondContact O-ND2 3.35Å; N518-N522 VanDerWaalsContact O-ND2 3.09Å
519	D	91	Very high	88.4	Confident	89 Å²	89	61.2 Å²	61.2	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-71.7	-39	178.8	-58	-44.7	0	0	0	111.6	F516 Y517 N522 H523 L572	F516-D519 PolarHBondContact O-N 2.92Å; Y517-D519 VanDerWaalsContact C-N 3.32Å; Y517-D519 PolarHBondContact O-N 2.92Å; D519-N522 PolarHBondContact O-N 2.91Å; D519-H523 VanDerWaalsContact O-CB 3.3Å; D519-H523 WeakPolarHBondContact O-CB 3.43Å; D519-H523 PolarHBondContact O-N 3.37Å; D519-L572 HydrophobicContact CB-CD1 3.94Å; D519-L572 HydrophobicContact CB-CD2 4.23Å
520	L	88.7	Confident	88.8	Confident	13 Å²	13	56.2 Å²	56.2	7%	0.068	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-46.1	171.3	178	59.9	0	0	0	111.4	Y508 F516 Y517 H523 M524 L572	Y508-L520 HydrophobicContact CD1-CD2 3.7Å; Y508-L520 HydrophobicContact CD1-CG 4.36Å; Y508-L520 HydrophobicContact CD2-CG 4.47Å; Y508-L520 HydrophobicContact CE1-CD2 4.17Å; Y508-L520 HydrophobicContact CG-CD2 3.9Å; Y508-L520 HydrophobicContact CG-CG 4.27Å; F516-L520 HydrophobicContact CE2-CD2 4.47Å; F516-L520 WeakPolarHBondContact O-CB 3.09Å; F516-L520 PolarHBondContact O-N 2.84Å; Y517-L520 PolarHBondContact O-N 3.06Å; L520-H523 PolarHBondContact O-N 3.3Å; L520-M524 HydrophobicContact CD1-CG 4.08Å; L520-M524 WeakPolarHBondContact O-CB 3.14Å; L520-M524 WeakPolarHBondContact O-CG 3.24Å; L520-M524 PolarHBondContact O-N 3.22Å; L520-L572 HydrophobicContact CB-CD2 3.89Å
521	V	91.8	Very high	89.4	Confident	1 Å²	1	51 Å²	51	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-42.9	175.7	167	0	0	0	0	111.4	K501 A504 R505 Y517 N518 M524 V525	K501-V521 HydrophobicContact CD-CG1 4.42Å; K501-V521 HydrophobicContact CG-CG1 3.81Å; A504-V521 HydrophobicContact CB-CG1 4.17Å; R505-V521 HydrophobicContact CG-CG1 4.2Å; R505-V521 HydrophobicContact CG-CG2 4.35Å; Y517-V521 HydrophobicContact CD2-CG2 4.02Å; Y517-V521 HydrophobicContact CE2-CG2 3.63Å; Y517-V521 WeakPolarHBondContact O-CB 3.24Å; Y517-V521 WeakPolarHBondContact O-CG2 3.33Å; Y517-V521 PolarHBondContact O-N 2.85Å; N518-V521 PolarHBondContact O-N 2.66Å; V521-M524 PolarHBondContact O-N 2.7Å; V521-V525 WeakPolarHBondContact O-CG2 3.16Å; V521-V525 PolarHBondContact O-N 2.95Å
522	N	92.2	Very high	90.1	Very high	72 Å²	72	49.4 Å²	49.4	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-42.4	177.9	-69.5	-27.2	0	0	0	111.9	K501 N518 D519 V525 S526	K501-N522 PolarHBondContact NZ-OD1 2.8Å; N518-N522 WeakPolarHBondContact O-CB 3.49Å; N518-N522 PolarHBondContact O-N 3.39Å; N518-N522 PolarHBondContact O-ND2 3.35Å; N518-N522 VanDerWaalsContact O-ND2 3.09Å; D519-N522 PolarHBondContact O-N 2.91Å; N522-V525 PolarHBondContact O-N 3.13Å; N522-S526 PolarHBondContact O-N 2.88Å; N522-S526 VanDerWaalsContact O-N 3.17Å
523	H	91.6	Very high	90.6	Very high	26 Å²	26	46 Å²	46	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-45.1	175.9	177.9	59.6	0	0	0	112.2	D472 D519 L520 V525 S526	D472-H523 IonicContact OD1-CD2 3.62Å; D472-H523 IonicContact OD1-CE1 2.67Å; D472-H523 PolarHBondContact OD1-CE1 2.83Å; D472-H523 VanDerWaalsContact OD1-CE1 3.29Å; D472-H523 IonicContact OD1-NE2 2.75Å; D472-H523 PolarHBondContact OD1-NE2 3.03Å; D519-H523 VanDerWaalsContact O-CB 3.3Å; D519-H523 WeakPolarHBondContact O-CB 3.43Å; D519-H523 PolarHBondContact O-N 3.37Å; L520-H523 PolarHBondContact O-N 3.3Å; H523-V525 PolarHBondContact O-N 2.83Å; H523-S526 PolarHBondContact O-N 3.44Å; H523-S526 PolarHBondContact O-OG 2.86Å
524	M	92.2	Very high	91.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-16	179.8	-68.3	-64.1	-40.1	0	0	113.8	K470 L499 A504 Y508 L520 V521 T529	K470-M524 HydrophobicContact CB-SD 4.32Å; K470-M524 HydrophobicContact CD-SD 4.03Å; K470-M524 HydrophobicContact CG-CE 4.39Å; K470-M524 HydrophobicContact CG-SD 3.74Å; L499-M524 HydrophobicContact CD1-CB 4.11Å; L499-M524 HydrophobicContact CD1-CE 3.73Å; A504-M524 HydrophobicContact CB-CB 4.48Å; Y508-M524 HydrophobicContact CD2-CG 4.33Å; Y508-M524 HydrophobicContact CE2-CB 4.22Å; Y508-M524 HydrophobicContact CE2-CE 4.29Å; Y508-M524 HydrophobicContact CE2-CG 3.55Å; Y508-M524 HydrophobicContact CE2-SD 4.16Å; Y508-M524 PolarHBondContact OH-SD 2.92Å; L520-M524 HydrophobicContact CD1-CG 4.08Å; L520-M524 WeakPolarHBondContact O-CB 3.14Å; L520-M524 WeakPolarHBondContact O-CG 3.24Å; L520-M524 PolarHBondContact O-N 3.22Å; V521-M524 PolarHBondContact O-N 2.7Å; M524-T529 HydrophobicContact CE-CG2 3.74Å; M524-T529 WeakPolarHBondContact CE-OG1 3.38Å
525	V	92.8	Very high	91.1	Very high	46 Å²	46	38.8 Å²	38.8	28%	0.279	22%	0.218	S	C	.	.	H	α-helix	trans	-94.7	-13.9	173.7	174.3	0	0	0	0	111.8	K501 A504 V521 N522 H523 G527	K501-V525 HydrophobicContact CB-CG2 4.27Å; A504-V525 HydrophobicContact CB-CG2 3.77Å; V521-V525 WeakPolarHBondContact O-CG2 3.16Å; V521-V525 PolarHBondContact O-N 2.95Å; N522-V525 PolarHBondContact O-N 3.13Å; H523-V525 PolarHBondContact O-N 2.83Å; V525-G527 PolarHBondContact O-N 3.23Å; V525-G527 VanDerWaalsContact O-N 3.16Å
526	S	92.4	Very high	91.2	Very high	87 Å²	87	36.2 Å²	36.2	61%	0.608	19%	0.193	S	C	*	.	S	Bend	trans	-80.1	7.9	-171.6	81.1	0	0	0	0	115.2	N522 H523	N522-S526 PolarHBondContact O-N 2.88Å; N522-S526 VanDerWaalsContact O-N 3.17Å; H523-S526 PolarHBondContact O-N 3.44Å; H523-S526 PolarHBondContact O-OG 2.86Å
527	G	91.9	Very high	90.6	Very high	21 Å²	21	33.4 Å²	33.4	22%	0.216	18%	0.184	C	C	.	.	S	Bend	trans	175.3	-175.1	178.7	0	0	0	0	0	113.3	V525	V525-G527 PolarHBondContact O-N 3.23Å; V525-G527 VanDerWaalsContact O-N 3.16Å
528	Q	93.6	Very high	90.2	Very high	101 Å²	101	34.7 Å²	34.7	47%	0.472	19%	0.193	S	C	.	.			trans	-68.5	141.8	178.2	-68.6	174.6	-23.3	0	0	111.3	P471 Y474	P471-Q528 WeakPolarHBondContact CA-O 3.45Å; P471-Q528 WeakPolarHBondContact CG-O 3.28Å; Y474-Q528 HydrophobicContact CD1-CB 4.21Å; Y474-Q528 HydrophobicContact CD2-CB 3.94Å; Y474-Q528 VanDerWaalsContact CD2-O 3.22Å; Y474-Q528 WeakPolarHBondContact CD2-O 3.4Å; Y474-Q528 HydrophobicContact CE1-CB 3.92Å; Y474-Q528 HydrophobicContact CE2-CB 3.6Å; Y474-Q528 HydrophobicContact CG-CB 4.21Å
529	T	93.9	Very high	90	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.3	172.3	-57.7	0	0	0	0	108	A468 I469 T497 M524 F531	A468-T529 HydrophobicContact CB-CG2 4.3Å; I469-T529 WeakPolarHBondContact O-CA 3.15Å; I469-T529 WeakPolarHBondContact O-CG2 3.4Å; T497-T529 PolarHBondContact N-O 2.88Å; T497-T529 PolarHBondContact O-N 2.92Å; M524-T529 HydrophobicContact CE-CG2 3.74Å; M524-T529 WeakPolarHBondContact CE-OG1 3.38Å; T529-F531 HydrophobicContact CG2-CD2 3.82Å; T529-F531 HydrophobicContact CG2-CE1 4.39Å; T529-F531 HydrophobicContact CG2-CE2 3.32Å; T529-F531 HydrophobicContact CG2-CZ 3.66Å
530	L	95	Very high	89.9	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.7	172.8	165.4	55.9	0	0	0	108.8	A468 I469 Y474 R477 I481 R494 E496 M532	A468-L530 CarbonylContact C-O 3.58Å; A468-L530 WeakPolarHBondContact CA-O 3.2Å; I469-L530 HydrophobicContact CB-CB 4.38Å; I469-L530 HydrophobicContact CD1-CD2 4.27Å; I469-L530 PolarHBondContact N-O 2.83Å; I469-L530 PolarHBondContact O-N 3.01Å; I469-L530 VanDerWaalsContact O-N 3.08Å; Y474-L530 HydrophobicContact CD2-CB 4.36Å; Y474-L530 HydrophobicContact CE2-CB 3.81Å; R477-L530 HydrophobicContact CB-CD2 4.29Å; R477-L530 HydrophobicContact CG-CD2 4.38Å; I481-L530 HydrophobicContact CD1-CD2 3.86Å; R494-L530 HydrophobicContact CB-CD1 4.1Å; E496-L530 HydrophobicContact CG-CB 4.25Å; E496-L530 HydrophobicContact CG-CD1 3.73Å; E496-L530 HydrophobicContact CG-CG 4.42Å; L530-M532 HydrophobicContact CD1-CG 4Å; L530-M532 HydrophobicContact CD2-SD 4.35Å; L530-M532 HydrophobicContact CG-CG 4.18Å; L530-M532 HydrophobicContact CG-SD 4.47Å
531	F	94.3	Very high	89.8	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143	171.2	-70.4	-89.6	0	0	0	111	V466 A467 A468 R494 K495 T497 L499 L507 T529 L592 F593	V466-F531 HydrophobicContact CG1-CD1 4.23Å; A467-F531 CarbonylContact O-C 3.49Å; A467-F531 WeakPolarHBondContact O-CA 3.27Å; A468-F531 HydrophobicContact CB-CD1 3.56Å; A468-F531 HydrophobicContact CB-CE1 3.51Å; A468-F531 HydrophobicContact CB-CG 4.35Å; A468-F531 HydrophobicContact CB-CZ 4.25Å; R494-F531 CarbonylContact C-O 3.09Å; R494-F531 WeakPolarHBondContact CA-O 3.11Å; K495-F531 PolarHBondContact N-O 3.05Å; K495-F531 PolarHBondContact O-N 3.3Å; T497-F531 HydrophobicContact CG2-CD2 4.03Å; T497-F531 HydrophobicContact CG2-CE2 4.08Å; L499-F531 HydrophobicContact CD1-CE2 4.13Å; L499-F531 HydrophobicContact CD1-CZ 4.01Å; L499-F531 HydrophobicContact CD2-CE2 3.86Å; L499-F531 HydrophobicContact CD2-CZ 4.2Å; L499-F531 HydrophobicContact CG-CE2 4.21Å; L507-F531 HydrophobicContact CD1-CE1 4.35Å; L507-F531 HydrophobicContact CD1-CZ 3.8Å; T529-F531 HydrophobicContact CG2-CD2 3.82Å; T529-F531 HydrophobicContact CG2-CE1 4.39Å; T529-F531 HydrophobicContact CG2-CE2 3.32Å; T529-F531 HydrophobicContact CG2-CZ 3.66Å; F531-L592 HydrophobicContact CB-CD1 4.28Å; F531-L592 HydrophobicContact CD1-CD1 3.33Å; F531-L592 HydrophobicContact CD2-CD1 3.82Å; F531-L592 HydrophobicContact CE1-CD1 3.42Å; F531-L592 VanDerWaalsContact CE1-CD1 3.42Å; F531-L592 HydrophobicContact CE2-CD1 3.9Å; F531-L592 HydrophobicContact CG-CD1 3.54Å; F531-L592 HydrophobicContact CZ-CD1 3.7Å; F531-F593 HydrophobicContact CB-CE2 4Å; F531-F593 HydrophobicContact CB-CZ 3.86Å
532	M	94.5	Very high	89.8	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.6	177	-65.3	179.4	-73.5	0	0	110.7	V466 A467 I469 I481 I484 V491 A493 R494 L530 L534	V466-M532 WeakPolarHBondContact CA-O 3.5Å; A467-M532 HydrophobicContact CB-CB 4.44Å; A467-M532 HydrophobicContact CB-CE 4.48Å; A467-M532 PolarHBondContact N-O 3.34Å; A467-M532 PolarHBondContact O-N 3.45Å; I469-M532 HydrophobicContact CD1-CE 3.78Å; I469-M532 HydrophobicContact CG1-CE 4.17Å; I481-M532 HydrophobicContact CG1-CE 4.16Å; I481-M532 HydrophobicContact CG1-SD 4.05Å; I484-M532 HydrophobicContact CD1-CE 3.7Å; V491-M532 HydrophobicContact CG1-CB 4.3Å; V491-M532 HydrophobicContact CG1-CG 4.18Å; V491-M532 HydrophobicContact CG1-SD 4.14Å; V491-M532 HydrophobicContact CG2-SD 4.18Å; A493-M532 CarbonylContact O-C 3.54Å; A493-M532 VanDerWaalsContact O-CA 3.26Å; A493-M532 WeakPolarHBondContact O-CA 3.47Å; R494-M532 HydrophobicContact CB-CG 4Å; L530-M532 HydrophobicContact CD1-CG 4Å; L530-M532 HydrophobicContact CD2-SD 4.35Å; L530-M532 HydrophobicContact CG-CG 4.18Å; L530-M532 HydrophobicContact CG-SD 4.47Å; M532-L534 HydrophobicContact CB-CD2 3.92Å; M532-L534 HydrophobicContact CB-CG 4.5Å; M532-L534 HydrophobicContact SD-CD2 4.5Å
533	I	91.1	Very high	89.9	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.2	162.7	-53.1	-57.3	0	0	0	106.7	K464 V466 A492 A493 Q589 F593	K464-I533 HydrophobicContact CB-CG2 4.32Å; K464-I533 HydrophobicContact CD-CG2 4.31Å; K464-I533 HydrophobicContact CG-CG2 4.22Å; V466-I533 HydrophobicContact CG2-CD1 3.82Å; A492-I533 HydrophobicContact CB-CG2 4.33Å; A492-I533 PolarHBondContact N-O 2.85Å; A493-I533 HydrophobicContact CB-CB 4.16Å; A493-I533 HydrophobicContact CB-CG1 4.02Å; A493-I533 PolarHBondContact N-O 2.73Å; A493-I533 PolarHBondContact O-N 3.44Å; I533-Q589 HydrophobicContact CD1-CB 4.18Å; I533-Q589 HydrophobicContact CD1-CG 4.04Å; I533-F593 HydrophobicContact CD1-CD2 3.88Å; I533-F593 HydrophobicContact CD1-CE2 3.74Å; I533-F593 HydrophobicContact CD1-CG 4.48Å; I533-F593 HydrophobicContact CD1-CZ 4.22Å; I533-F593 HydrophobicContact CG1-CD1 4.38Å; I533-F593 HydrophobicContact CG1-CD2 4.21Å; I533-F593 HydrophobicContact CG1-CE1 4.24Å; I533-F593 HydrophobicContact CG1-CE2 4.08Å; I533-F593 HydrophobicContact CG1-CG 4.37Å; I533-F593 HydrophobicContact CG1-CZ 4.1Å
534	L	91.3	Very high	89.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.8	179	-53.7	-177.5	0	0	0	110.5	K464 T465 A467 I484 F489 H490 V491 M532 W543	K464-L534 CarbonylContact C-O 3.43Å; K464-L534 WeakPolarHBondContact CA-O 3.44Å; T465-L534 HydrophobicContact CG2-CB 3.94Å; T465-L534 PolarHBondContact N-O 2.91Å; T465-L534 PolarHBondContact O-N 2.78Å; A467-L534 HydrophobicContact CB-CD1 3.58Å; A467-L534 HydrophobicContact CB-CG 3.89Å; I484-L534 HydrophobicContact CD1-CD1 4.41Å; I484-L534 HydrophobicContact CG2-CD1 3.74Å; I484-L534 HydrophobicContact CG2-CD2 3.8Å; I484-L534 HydrophobicContact CG2-CG 4.41Å; F489-L534 HydrophobicContact CB-CB 4.44Å; F489-L534 HydrophobicContact CB-CD1 4.45Å; F489-L534 HydrophobicContact CD1-CB 3.89Å; F489-L534 HydrophobicContact CD1-CD1 4.13Å; F489-L534 HydrophobicContact CG-CD1 4.32Å; H490-L534 CarbonylContact O-C 3.53Å; H490-L534 WeakPolarHBondContact O-CA 3.46Å; V491-L534 HydrophobicContact CB-CD2 4.46Å; V491-L534 HydrophobicContact CG2-CD2 3.86Å; M532-L534 HydrophobicContact CB-CD2 3.92Å; M532-L534 HydrophobicContact CB-CG 4.5Å; M532-L534 HydrophobicContact SD-CD2 4.5Å; L534-W543 HydrophobicContact CD1-CD2 4.2Å; L534-W543 HydrophobicContact CD1-CE3 4.22Å
535	T	86.9	Confident	89.9	Confident	24 Å²	24	38 Å²	38	15%	0.147	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.4	175.4	41	0	0	0	0	112	V462 E463 K464 H490 A492	V462-T535 HydrophobicContact CG1-CG2 4.02Å; E463-T535 WeakPolarHBondContact O-CA 3.45Å; K464-T535 HydrophobicContact CG-CG2 3.65Å; H490-T535 PolarHBondContact N-O 2.67Å; H490-T535 PolarHBondContact O-N 3.46Å; H490-T535 PolarHBondContact O-OG1 2.99Å; A492-T535 HydrophobicContact CB-CG2 3.88Å
536	R	84.8	Confident	89.9	Confident	62 Å²	62	37.6 Å²	37.6	23%	0.234	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	149.4	174.8	-171.7	-177.3	175.7	172.6	7	109.8	E463 A487 G488 F489 N538 A539	E463-R536 WeakPolarHBondContact CA-O 3.4Å; E463-R536 WeakPolarHBondContact CB-O 3.21Å; E463-R536 PolarHBondContact N-O 3.22Å; E463-R536 PolarHBondContact O-N 3.01Å; E463-R536 VanDerWaalsContact O-O 3.12Å; A487-R536 PolarHBondContact O-NH1 3.06Å; A487-R536 PolarHBondContact O-NH2 3.08Å; G488-R536 WeakPolarHBondContact O-CD 3.44Å; G488-R536 WeakPolarHBondContact O-CG 3.21Å; F489-R536 HydrophobicContact CD1-CB 3.71Å; F489-R536 HydrophobicContact CD1-CG 4.47Å; F489-R536 HydrophobicContact CE1-CB 3.84Å; F489-R536 HydrophobicContact CE1-CG 4.44Å; F489-R536 HydrophobicContact CG-CB 4.4Å; R536-N538 PolarHBondContact O-N 3.09Å; R536-A539 HydrophobicContact CB-CB 3.94Å; R536-A539 WeakPolarHBondContact O-CB 3.17Å; R536-A539 PolarHBondContact O-N 2.86Å; R536-A539 VanDerWaalsContact O-N 3.09Å
537	S	74.6	Confident	90.1	Very high	29 Å²	29	33.5 Å²	33.5	20%	0.203	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	114.6	163.8	45.9	0	0	0	0	109.9	L356 F460 P461	L356-S537 WeakPolarHBondContact CD1-OG 3.37Å; F460-S537 VanDerWaalsContact O-CB 3.3Å; F460-S537 WeakPolarHBondContact O-CB 3.35Å; P461-S537 WeakPolarHBondContact O-CA 3.39Å
538	N	79.3	Confident	90.1	Very high	58 Å²	58	33 Å²	33	31%	0.31	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	10.5	-168.8	96.3	-0.6	0	0	0	117.9	R536 I540 S541 G542	R536-N538 PolarHBondContact O-N 3.09Å; N538-I540 VanDerWaalsContact C-N 3.32Å; N538-I540 PolarHBondContact O-N 2.91Å; N538-S541 WeakPolarHBondContact CB-OG 3.4Å; N538-S541 PolarHBondContact O-N 2.95Å; N538-S541 PolarHBondContact O-OG 2.91Å; N538-G542 PolarHBondContact O-N 2.82Å; N538-G542 VanDerWaalsContact O-N 3.07Å
539	A	87.2	Confident	90	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-43.2	-43.3	-164.9	0	0	0	0	0	117.3	E463 T465 F489 R536 W543	E463-A539 HydrophobicContact CB-CB 4Å; E463-A539 HydrophobicContact CG-CB 4.19Å; E463-A539 WeakPolarHBondContact O-CB 3.32Å; E463-A539 PolarHBondContact OE2-N 3.37Å; T465-A539 HydrophobicContact CG2-CB 3.93Å; F489-A539 HydrophobicContact CE1-CB 4.02Å; R536-A539 HydrophobicContact CB-CB 3.94Å; R536-A539 WeakPolarHBondContact O-CB 3.17Å; R536-A539 PolarHBondContact O-N 2.86Å; R536-A539 VanDerWaalsContact O-N 3.09Å; A539-W543 WeakPolarHBondContact O-CB 3.33Å; A539-W543 PolarHBondContact O-N 2.89Å
540	I	87.6	Confident	89.8	Confident	13 Å²	13	33.6 Å²	33.6	7%	0.067	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-46.6	-179.7	-63.7	171.8	0	0	0	110.1	E463 N538 R544 K582 V585	E463-I540 HydrophobicContact CG-CD1 4.21Å; E463-I540 HydrophobicContact CG-CG1 4.09Å; E463-I540 WeakPolarHBondContact OE2-CB 3.44Å; E463-I540 PolarHBondContact OE2-N 3.2Å; N538-I540 VanDerWaalsContact C-N 3.32Å; N538-I540 PolarHBondContact O-N 2.91Å; I540-R544 WeakPolarHBondContact O-CB 3.28Å; I540-R544 WeakPolarHBondContact O-CD 3.42Å; I540-R544 WeakPolarHBondContact O-CG 3.27Å; I540-R544 PolarHBondContact O-N 2.94Å; I540-R544 VanDerWaalsContact O-N 3.16Å; I540-K582 HydrophobicContact CD1-CG 3.69Å; I540-V585 HydrophobicContact CD1-CG2 3.99Å; I540-V585 HydrophobicContact CG1-CG2 4.23Å
541	S	88.1	Confident	89.6	Confident	66 Å²	66	35.1 Å²	35.1	46%	0.462	18%	0.184	S	C	.	.	H	α-helix	trans	-67.4	-46.4	179.2	65.3	0	0	0	0	112.5	N538 W543 R544 Q545	N538-S541 WeakPolarHBondContact CB-OG 3.4Å; N538-S541 PolarHBondContact O-N 2.95Å; N538-S541 PolarHBondContact O-OG 2.91Å; S541-W543 PolarHBondContact O-N 3.42Å; S541-R544 PolarHBondContact O-N 3.09Å; S541-Q545 PolarHBondContact O-N 2.93Å
542	G	90.4	Very high	89.4	Confident	3 Å²	3	35.3 Å²	35.3	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-36.5	178.8	0	0	0	0	0	112.9	N538 Q545 L546	N538-G542 PolarHBondContact O-N 2.82Å; N538-G542 VanDerWaalsContact O-N 3.07Å; G542-Q545 WeakPolarHBondContact O-CB 3.47Å; G542-Q545 PolarHBondContact O-N 3.47Å; G542-L546 WeakPolarHBondContact O-CB 3.46Å; G542-L546 PolarHBondContact O-N 2.94Å
543	W	94.5	Very high	89.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-38.1	178.7	176.4	-132.9	0	0	0	110.8	T465 V466 A467 I484 F489 L534 A539 S541 Q545 L546 M547 I563 V576 H577	T465-W543 HydrophobicContact CG2-CB 3.84Å; T465-W543 HydrophobicContact CG2-CG 4.1Å; V466-W543 PolarHBondContact O-NE1 3.11Å; A467-W543 HydrophobicContact CB-CD2 4.27Å; A467-W543 VanDerWaalsContact CB-CE2 3.48Å; A467-W543 HydrophobicContact CB-CH2 4.26Å; A467-W543 HydrophobicContact CB-CZ2 3.5Å; A467-W543 VanDerWaalsContact CB-CZ2 3.5Å; I484-W543 HydrophobicContact CD1-CH2 3.82Å; I484-W543 HydrophobicContact CD1-CZ3 3.77Å; I484-W543 HydrophobicContact CG1-CE3 4.33Å; I484-W543 HydrophobicContact CG1-CH2 4.15Å; I484-W543 HydrophobicContact CG1-CZ3 3.57Å; F489-W543 HydrophobicContact CE1-CB 4.12Å; F489-W543 HydrophobicContact CZ-CB 4.07Å; L534-W543 HydrophobicContact CD1-CD2 4.2Å; L534-W543 HydrophobicContact CD1-CE3 4.22Å; A539-W543 WeakPolarHBondContact O-CB 3.33Å; A539-W543 PolarHBondContact O-N 2.89Å; S541-W543 PolarHBondContact O-N 3.42Å; W543-Q545 VanDerWaalsContact C-N 3.33Å; W543-Q545 PolarHBondContact O-N 3.26Å; W543-L546 HydrophobicContact CE3-CB 4.26Å; W543-L546 HydrophobicContact CE3-CD2 4.06Å; W543-L546 HydrophobicContact CZ3-CD2 4Å; W543-L546 HydrophobicContact CZ3-CG 4.42Å; W543-L546 PolarHBondContact O-N 2.79Å; W543-M547 HydrophobicContact CD2-CE 4.28Å; W543-M547 HydrophobicContact CD2-CG 3.89Å; W543-M547 HydrophobicContact CD2-SD 4.32Å; W543-M547 VanDerWaalsContact CE2-SD 3.58Å; W543-M547 HydrophobicContact CE3-CG 4.14Å; W543-M547 HydrophobicContact CG-CE 4.07Å; W543-M547 HydrophobicContact CH2-CG 3.81Å; W543-M547 HydrophobicContact CZ2-CG 3.55Å; W543-M547 HydrophobicContact CZ2-SD 3.7Å; W543-M547 HydrophobicContact CZ3-CG 4.1Å; W543-M547 WeakPolarHBondContact O-CB 3.44Å; W543-M547 VanDerWaalsContact O-CG 3.32Å; W543-M547 WeakPolarHBondContact O-CG 3.41Å; W543-M547 PolarHBondContact O-N 3.46Å; W543-I563 HydrophobicContact CH2-CD1 3.76Å; W543-I563 HydrophobicContact CZ3-CD1 3.47Å; W543-I563 VanDerWaalsContact CZ3-CD1 3.47Å; W543-V576 HydrophobicContact CH2-CB 4.29Å; W543-V576 HydrophobicContact CH2-CG1 4.25Å; W543-V576 HydrophobicContact CZ2-CB 4.16Å; W543-V576 HydrophobicContact CZ2-CG1 4.47Å; W543-H577 PolarHBondContact NE1-O 3.39Å
544	R	92.2	Very high	89.1	Confident	124 Å²	124	45.5 Å²	45.5	47%	0.468	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-37.1	172.6	-69.3	173.9	69.8	79	3.5	112.4	I540 S541 M547 G548	I540-R544 WeakPolarHBondContact O-CB 3.28Å; I540-R544 WeakPolarHBondContact O-CD 3.42Å; I540-R544 WeakPolarHBondContact O-CG 3.27Å; I540-R544 PolarHBondContact O-N 2.94Å; I540-R544 VanDerWaalsContact O-N 3.16Å; S541-R544 PolarHBondContact O-N 3.09Å; R544-M547 HydrophobicContact CG-CE 4.06Å; R544-G548 PolarHBondContact O-N 3.25Å
545	Q	92	Very high	89.1	Confident	155 Å²	155	45.5 Å²	45.5	72%	0.724	24%	0.235	S	C	*	.	H	α-helix	trans	-64.8	-47.5	172.6	-172.2	179.1	11.3	0	0	111.8	S541 G542 W543 M547 G548	S541-Q545 PolarHBondContact O-N 2.93Å; G542-Q545 WeakPolarHBondContact O-CB 3.47Å; G542-Q545 PolarHBondContact O-N 3.47Å; W543-Q545 VanDerWaalsContact C-N 3.33Å; W543-Q545 PolarHBondContact O-N 3.26Å; Q545-M547 PolarHBondContact O-N 3.49Å; Q545-G548 PolarHBondContact O-N 3.1Å
546	L	93.4	Very high	89.1	Confident	39 Å²	39	47.3 Å²	47.3	20%	0.204	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-33.5	-179.2	-171	65.3	0	0	0	113.1	I484 A487 F489 G542 W543 I563	I484-L546 HydrophobicContact CG1-CD2 4.25Å; A487-L546 HydrophobicContact CB-CD1 3.98Å; A487-L546 HydrophobicContact CB-CD2 3.56Å; A487-L546 HydrophobicContact CB-CG 4.39Å; F489-L546 HydrophobicContact CD2-CD2 4.42Å; F489-L546 HydrophobicContact CE2-CD2 4.24Å; G542-L546 WeakPolarHBondContact O-CB 3.46Å; G542-L546 PolarHBondContact O-N 2.94Å; W543-L546 HydrophobicContact CE3-CB 4.26Å; W543-L546 HydrophobicContact CE3-CD2 4.06Å; W543-L546 HydrophobicContact CZ3-CD2 4Å; W543-L546 HydrophobicContact CZ3-CG 4.42Å; W543-L546 PolarHBondContact O-N 2.79Å; L546-I563 HydrophobicContact CD2-CD1 4.06Å; L546-I563 HydrophobicContact CG-CD1 3.77Å; L546-I563 HydrophobicContact CG-CG1 4.34Å; L546-I563 PolarHBondContact O-N 2.97Å
547	M	95	Very high	89.3	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-44.4	170.1	-74	-169.2	-72.7	0	0	112.2	W543 R544 Q545 R564 V576 H577	W543-M547 HydrophobicContact CD2-CE 4.28Å; W543-M547 HydrophobicContact CD2-CG 3.89Å; W543-M547 HydrophobicContact CD2-SD 4.32Å; W543-M547 VanDerWaalsContact CE2-SD 3.58Å; W543-M547 HydrophobicContact CE3-CG 4.14Å; W543-M547 HydrophobicContact CG-CE 4.07Å; W543-M547 HydrophobicContact CH2-CG 3.81Å; W543-M547 HydrophobicContact CZ2-CG 3.55Å; W543-M547 HydrophobicContact CZ2-SD 3.7Å; W543-M547 HydrophobicContact CZ3-CG 4.1Å; W543-M547 WeakPolarHBondContact O-CB 3.44Å; W543-M547 VanDerWaalsContact O-CG 3.32Å; W543-M547 WeakPolarHBondContact O-CG 3.41Å; W543-M547 PolarHBondContact O-N 3.46Å; R544-M547 HydrophobicContact CG-CE 4.06Å; Q545-M547 PolarHBondContact O-N 3.49Å; M547-R564 WeakPolarHBondContact O-CB 3.05Å; M547-R564 WeakPolarHBondContact O-CG 3.33Å; M547-R564 PolarHBondContact O-N 3.3Å; M547-R564 PolarHBondContact SD-NH2 3.41Å; M547-R564 VanDerWaalsContact SD-NH2 3.36Å; M547-V576 HydrophobicContact CB-CG2 4.2Å; M547-V576 HydrophobicContact CG-CB 4.33Å; M547-V576 HydrophobicContact CG-CG2 3.67Å; M547-V576 HydrophobicContact SD-CB 4.3Å; M547-V576 HydrophobicContact SD-CG2 4.08Å; M547-H577 VanDerWaalsContact SD-C 3.52Å
548	G	92.3	Very high	90	Very high	10 Å²	10	56.4 Å²	56.4	10%	0.103	30%	0.295	C	S	.	.			trans	78.4	-178.7	-169.8	0	0	0	0	0	114.1	R544 Q545 R564	R544-G548 PolarHBondContact O-N 3.25Å; Q545-G548 PolarHBondContact O-N 3.1Å; G548-R564 PolarHBondContact O-NH1 3.01Å
549	P	91.3	Very high	90.4	Very high	29 Å²	29	56.1 Å²	56.1	19%	0.188	30%	0.298	C	S	.	.			trans	-47	148.3	175.8	-31.4	34	0	0	0	115.5	D551 K554 A555 E558 R564	P549-D551 PolarHBondContact O-N 3.14Å; P549-K554 HydrophobicContact CB-CB 4.04Å; P549-K554 HydrophobicContact CG-CB 4.47Å; P549-A555 HydrophobicContact CB-CB 4.18Å; P549-A555 HydrophobicContact CG-CB 4.36Å; P549-E558 HydrophobicContact CG-CB 4.17Å; P549-E558 HydrophobicContact CG-CG 4.23Å; P549-E558 WeakPolarHBondContact CG-OE1 3.28Å; P549-E558 VanDerWaalsContact CG-OE2 3.22Å; P549-E558 WeakPolarHBondContact CG-OE2 3.15Å; P549-R564 WeakPolarHBondContact O-CD 3.42Å
550	T	90.3	Very high	90.4	Very high	85 Å²	85	59.9 Å²	59.9	52%	0.521	32%	0.324	S	S	.	.	S	Bend	trans	-61.9	-27.3	-178.8	-49.9	0	0	0	0	113.6	N574	T550-N574 WeakPolarHBondContact CG2-ND2 3.45Å; T550-N574 WeakPolarHBondContact O-CB 3.46Å; T550-N574 PolarHBondContact O-ND2 2.89Å
551	D	90.4	Very high	90.5	Very high	32 Å²	32	66.5 Å²	66.5	17%	0.171	36%	0.355	C	S	.	.	S	Bend	trans	-94.1	118	176.4	178.3	-6.1	0	0	0	109.4	P549 N553 K554 A555 I571	P549-D551 PolarHBondContact O-N 3.14Å; D551-N553 PolarHBondContact O-N 2.8Å; D551-N553 VanDerWaalsContact O-N 3.13Å; D551-N553 WeakPolarHBondContact OD1-CB 3.27Å; D551-N553 PolarHBondContact OD1-N 2.79Å; D551-N553 PolarHBondContact OD1-ND2 2.75Å; D551-K554 HydrophobicContact CB-CB 4.24Å; D551-K554 HydrophobicContact CB-CD 4.23Å; D551-K554 HydrophobicContact CB-CG 4.13Å; D551-K554 PolarHBondContact O-N 3.12Å; D551-A555 WeakPolarHBondContact O-CB 3.44Å; D551-A555 PolarHBondContact O-N 3.35Å; D551-I571 HydrophobicContact CB-CD1 4.36Å; D551-I571 HydrophobicContact CB-CG1 3.89Å
552	P	90	Very high	90.8	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-53.8	-29.9	179.1	-31.5	39.9	0	0	0	115	A555 S556 R564 D570 N574	P552-A555 PolarHBondContact O-N 3.46Å; P552-S556 PolarHBondContact O-N 2.53Å; P552-R564 WeakPolarHBondContact CB-O 3.44Å; P552-D570 WeakPolarHBondContact CD-O 3.25Å; P552-D570 WeakPolarHBondContact CG-O 3.18Å; P552-N574 HydrophobicContact CG-CB 4.08Å
553	N	90	Very high	91	Very high	103 Å²	103	63.4 Å²	63.4	55%	0.551	33%	0.333	S	S	*	.	H	α-helix	trans	-69.9	-51.7	179.3	-55.1	-85.7	0	0	0	110.2	D551 A555 S556 D557	D551-N553 PolarHBondContact O-N 2.8Å; D551-N553 VanDerWaalsContact O-N 3.13Å; D551-N553 WeakPolarHBondContact OD1-CB 3.27Å; D551-N553 PolarHBondContact OD1-N 2.79Å; D551-N553 PolarHBondContact OD1-ND2 2.75Å; N553-A555 PolarHBondContact O-N 2.77Å; N553-S556 WeakPolarHBondContact O-CA 3.48Å; N553-S556 VanDerWaalsContact O-CB 3.27Å; N553-S556 WeakPolarHBondContact O-CB 3.49Å; N553-S556 PolarHBondContact O-N 2.91Å; N553-D557 PolarHBondContact O-N 2.75Å
554	K	90.5	Very high	91.1	Very high	114 Å²	114	64.3 Å²	64.3	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-34.1	173.6	-60.7	-174.5	-176.5	-171.4	0	112.1	P549 D551 S556 D557 E558	P549-K554 HydrophobicContact CB-CB 4.04Å; P549-K554 HydrophobicContact CG-CB 4.47Å; D551-K554 HydrophobicContact CB-CB 4.24Å; D551-K554 HydrophobicContact CB-CD 4.23Å; D551-K554 HydrophobicContact CB-CG 4.13Å; D551-K554 PolarHBondContact O-N 3.12Å; K554-S556 VanDerWaalsContact C-N 3.31Å; K554-D557 PolarHBondContact O-N 2.94Å; K554-E558 VanDerWaalsContact O-CB 3.31Å; K554-E558 WeakPolarHBondContact O-CB 3.19Å; K554-E558 WeakPolarHBondContact O-CG 3.48Å; K554-E558 PolarHBondContact O-N 2.96Å
555	A	90.4	Very high	91.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-40.4	172.8	0	0	0	0	0	111.2	P549 D551 P552 N553 S559 R564 A565	P549-A555 HydrophobicContact CB-CB 4.18Å; P549-A555 HydrophobicContact CG-CB 4.36Å; D551-A555 WeakPolarHBondContact O-CB 3.44Å; D551-A555 PolarHBondContact O-N 3.35Å; P552-A555 PolarHBondContact O-N 3.46Å; N553-A555 PolarHBondContact O-N 2.77Å; A555-S559 CarbonylContact O-C 3.6Å; A555-S559 WeakPolarHBondContact O-CA 3.37Å; A555-S559 PolarHBondContact O-N 3.47Å; A555-R564 HydrophobicContact CB-CB 3.94Å; A555-A565 HydrophobicContact CB-CB 4.1Å
556	S	87.7	Confident	91.2	Very high	62 Å²	62	55.4 Å²	55.4	43%	0.434	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-41.6	173.2	-159.9	0	0	0	0	112.7	P552 N553 K554 S560	P552-S556 PolarHBondContact O-N 2.53Å; N553-S556 WeakPolarHBondContact O-CA 3.48Å; N553-S556 VanDerWaalsContact O-CB 3.27Å; N553-S556 WeakPolarHBondContact O-CB 3.49Å; N553-S556 PolarHBondContact O-N 2.91Å; K554-S556 VanDerWaalsContact C-N 3.31Å; S556-S560 PolarHBondContact O-N 3.3Å
557	D	89.2	Confident	91.3	Very high	140 Å²	140	54.5 Å²	54.5	75%	0.749	30%	0.299	S	S	*	.	H	α-helix	trans	-68.3	-39.7	178.7	-63.9	-36.6	0	0	0	113.1	N553 K554	N553-D557 PolarHBondContact O-N 2.75Å; K554-D557 PolarHBondContact O-N 2.94Å
558	E	88.2	Confident	91.1	Very high	141 Å²	141	55.2 Å²	55.2	66%	0.659	31%	0.306	S	S	*	.	H	α-helix	trans	-87.6	-34.9	-178.1	-68.3	176.6	-135.5	0	0	113.1	P549 K554	P549-E558 HydrophobicContact CG-CB 4.17Å; P549-E558 HydrophobicContact CG-CG 4.23Å; P549-E558 WeakPolarHBondContact CG-OE1 3.28Å; P549-E558 VanDerWaalsContact CG-OE2 3.22Å; P549-E558 WeakPolarHBondContact CG-OE2 3.15Å; K554-E558 VanDerWaalsContact O-CB 3.31Å; K554-E558 WeakPolarHBondContact O-CB 3.19Å; K554-E558 WeakPolarHBondContact O-CG 3.48Å; K554-E558 PolarHBondContact O-N 2.96Å
559	S	87.5	Confident	91	Very high	53 Å²	53	62.4 Å²	62.4	37%	0.371	33%	0.331	S	S	.	.	H	α-helix	trans	-163.5	83.4	-175.5	-172.9	0	0	0	0	111.4	A555 E561 S562	A555-S559 CarbonylContact O-C 3.6Å; A555-S559 WeakPolarHBondContact O-CA 3.37Å; A555-S559 PolarHBondContact O-N 3.47Å; S559-E561 PolarHBondContact O-N 3.47Å; S559-S562 WeakPolarHBondContact O-CB 3.48Å; S559-S562 PolarHBondContact O-N 2.86Å; S559-S562 PolarHBondContact O-OG 3.49Å
560	S	88.4	Confident	91	Very high	79 Å²	79	63.1 Å²	63.1	55%	0.552	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.5	-178.7	57.1	0	0	0	0	115.5	S556	S556-S560 PolarHBondContact O-N 3.3Å
561	E	90	Very high	90.8	Very high	151 Å²	151	64 Å²	64	71%	0.706	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.1	175.1	-58.9	-169.5	146.2	0	0	113.9	S559 I566	S559-E561 PolarHBondContact O-N 3.47Å; E561-I566 WeakPolarHBondContact O-CD1 3.4Å
562	S	93.4	Very high	90.7	Very high	3 Å²	3	65 Å²	65	2%	0.021	34%	0.338	C	S	.	.	S	Bend	trans	-68.3	150.1	-178.7	68.6	0	0	0	0	112.3	S559 R564 A565 I566	S559-S562 WeakPolarHBondContact O-CB 3.48Å; S559-S562 PolarHBondContact O-N 2.86Å; S559-S562 PolarHBondContact O-OG 3.49Å; S562-R564 PolarHBondContact O-N 3.06Å; S562-R564 VanDerWaalsContact O-N 3.14Å; S562-A565 WeakPolarHBondContact O-CB 3.44Å; S562-A565 PolarHBondContact O-N 3.11Å; S562-A565 WeakPolarHBondContact OG-CB 3.46Å; S562-I566 PolarHBondContact O-N 3.4Å; S562-I566 VanDerWaalsContact O-N 3.09Å
563	I	94.6	Very high	90.8	Very high	1 Å²	1	70 Å²	70	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-32.6	-174.8	-60.8	167.1	0	0	0	111.1	I480 W543 L546 Y567 V576	I480-I563 HydrophobicContact CD1-CG2 4.34Å; I480-I563 HydrophobicContact CG1-CG2 4.26Å; I480-I563 HydrophobicContact CG2-CD1 4.25Å; I480-I563 HydrophobicContact CG2-CG2 4.18Å; W543-I563 HydrophobicContact CH2-CD1 3.76Å; W543-I563 HydrophobicContact CZ3-CD1 3.47Å; W543-I563 VanDerWaalsContact CZ3-CD1 3.47Å; L546-I563 HydrophobicContact CD2-CD1 4.06Å; L546-I563 HydrophobicContact CG-CD1 3.77Å; L546-I563 HydrophobicContact CG-CG1 4.34Å; L546-I563 PolarHBondContact O-N 2.97Å; I563-Y567 HydrophobicContact CB-CD2 4.48Å; I563-Y567 HydrophobicContact CG2-CD2 3.67Å; I563-Y567 HydrophobicContact CG2-CE2 4.11Å; I563-Y567 VanDerWaalsContact O-CD2 3.3Å; I563-Y567 WeakPolarHBondContact O-CD2 3.47Å; I563-Y567 PolarHBondContact O-N 2.86Å; I563-Y567 VanDerWaalsContact O-N 3.07Å; I563-V576 HydrophobicContact CB-CG2 4.01Å; I563-V576 HydrophobicContact CG2-CB 4.28Å; I563-V576 HydrophobicContact CG2-CG1 3.68Å; I563-V576 HydrophobicContact CG2-CG2 3.56Å
564	R	96	Very high	90.8	Very high	20 Å²	20	65.3 Å²	65.3	8%	0.075	33%	0.331	C	S	.	.	H	α-helix	trans	-75.4	-29.7	176.3	-66.8	-174.9	173.2	141.8	-1.9	113.9	M547 G548 P549 P552 A555 S562 G568 N574 V576	M547-R564 WeakPolarHBondContact O-CB 3.05Å; M547-R564 WeakPolarHBondContact O-CG 3.33Å; M547-R564 PolarHBondContact O-N 3.3Å; M547-R564 PolarHBondContact SD-NH2 3.41Å; M547-R564 VanDerWaalsContact SD-NH2 3.36Å; G548-R564 PolarHBondContact O-NH1 3.01Å; P549-R564 WeakPolarHBondContact O-CD 3.42Å; P552-R564 WeakPolarHBondContact CB-O 3.44Å; A555-R564 HydrophobicContact CB-CB 3.94Å; S562-R564 PolarHBondContact O-N 3.06Å; S562-R564 VanDerWaalsContact O-N 3.14Å; R564-G568 VanDerWaalsContact O-CA 3.27Å; R564-G568 WeakPolarHBondContact O-CA 3.23Å; R564-G568 PolarHBondContact O-N 3.43Å; R564-G568 VanDerWaalsContact O-N 3.14Å; R564-N574 WeakPolarHBondContact CG-O 3.32Å; R564-V576 HydrophobicContact CG-CG2 3.83Å; R564-V576 PolarHBondContact NE-O 2.85Å; R564-V576 VanDerWaalsContact NE-O 3.12Å; R564-V576 PolarHBondContact NH2-O 3.31Å
565	A	93.6	Very high	91	Very high	22 Å²	22	59.9 Å²	59.9	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-38	172.5	0	0	0	0	0	111.9	A555 S562	A555-A565 HydrophobicContact CB-CB 4.1Å; S562-A565 WeakPolarHBondContact O-CB 3.44Å; S562-A565 PolarHBondContact O-N 3.11Å; S562-A565 WeakPolarHBondContact OG-CB 3.46Å
566	I	94.2	Very high	91.2	Very high	69 Å²	69	59.9 Å²	59.9	35%	0.354	31%	0.307	S	S	.	.	H	α-helix	trans	-81.8	-45.6	-173.9	-62.8	175.9	0	0	0	112.8	R483 E561 S562	R483-I566 VanDerWaalsContact NH1-CD1 3.25Å; E561-I566 WeakPolarHBondContact O-CD1 3.4Å; S562-I566 PolarHBondContact O-N 3.4Å; S562-I566 VanDerWaalsContact O-N 3.09Å
567	Y	94.1	Very high	91.4	Very high	21 Å²	21	58.7 Å²	58.7	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-110.4	-13.9	-172.8	-50.9	-78.3	0	0	0	114.1	N476 E479 I480 R483 I563	N476-Y567 HydrophobicContact CB-CD1 3.79Å; N476-Y567 HydrophobicContact CB-CE1 3.79Å; E479-Y567 PolarHBondContact OE1-OH 2.79Å; E479-Y567 WeakPolarHBondContact OE2-CE1 3.16Å; E479-Y567 PolarHBondContact OE2-OH 3.29Å; I480-Y567 HydrophobicContact CD1-CD2 3.93Å; I480-Y567 HydrophobicContact CD1-CE2 4.16Å; I480-Y567 HydrophobicContact CD1-CG 4.14Å; I480-Y567 HydrophobicContact CG1-CD2 3.87Å; I480-Y567 HydrophobicContact CG1-CE1 4.48Å; I480-Y567 HydrophobicContact CG1-CE2 3.58Å; I480-Y567 HydrophobicContact CG1-CG 4.44Å; R483-Y567 PolarHBondContact NE-OH 3.11Å; I563-Y567 HydrophobicContact CB-CD2 4.48Å; I563-Y567 HydrophobicContact CG2-CD2 3.67Å; I563-Y567 HydrophobicContact CG2-CE2 4.11Å; I563-Y567 VanDerWaalsContact O-CD2 3.3Å; I563-Y567 WeakPolarHBondContact O-CD2 3.47Å; I563-Y567 PolarHBondContact O-N 2.86Å; I563-Y567 VanDerWaalsContact O-N 3.07Å
568	G	90.8	Very high	91.4	Very high	15 Å²	15	52.2 Å²	52.2	16%	0.155	26%	0.261	C	S	.	.			trans	-73.2	142.7	179.3	0	0	0	0	0	112.1	R564	R564-G568 VanDerWaalsContact O-CA 3.27Å; R564-G568 WeakPolarHBondContact O-CA 3.23Å; R564-G568 PolarHBondContact O-N 3.43Å; R564-G568 VanDerWaalsContact O-N 3.14Å
569	R	90.2	Very high	91.3	Very high	162 Å²	162	45.5 Å²	45.5	61%	0.611	23%	0.229	S	C	*	.			trans	-111.9	-35	-178.8	-49.2	-174.6	-163.3	-165.9	6.6	112.4	D472 R573	D472-R569 PolarHBondContact O-NH2 3.01Å; R569-R573 HydrophobicContact CB-CB 4.39Å; R569-R573 PolarHBondContact N-O 2.9Å
570	D	91	Very high	90.9	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.23	23%	0.231	C	C	.	.	S	Bend	trans	-161.1	-177.7	174.2	59.9	65.5	0	0	0	110.3	P552 L572 R573 N574	P552-D570 WeakPolarHBondContact CD-O 3.25Å; P552-D570 WeakPolarHBondContact CG-O 3.18Å; D570-L572 VanDerWaalsContact C-N 3.3Å; D570-L572 PolarHBondContact O-N 2.85Å; D570-L572 WeakPolarHBondContact OD1-CA 3.26Å; D570-L572 WeakPolarHBondContact OD1-CB 3.33Å; D570-L572 PolarHBondContact OD1-N 3.4Å; D570-R573 PolarHBondContact N-O 3.29Å; D570-R573 CarbonylContact O-C 3.57Å; D570-R573 PolarHBondContact O-N 2.56Å; D570-R573 VanDerWaalsContact O-O 3.12Å; D570-R573 PolarHBondContact OD1-N 3.49Å; D570-R573 IonicContact OD1-NE 2.77Å; D570-R573 IonicContact OD2-CZ 3.26Å; D570-R573 IonicContact OD2-NE 3Å; D570-R573 PolarHBondContact OD2-NE 3.41Å; D570-R573 IonicContact OD2-NH2 2.74Å; D570-R573 PolarHBondContact OD2-NH2 2.57Å; D570-N574 WeakPolarHBondContact O-CA 3.46Å; D570-N574 WeakPolarHBondContact O-CB 3.46Å; D570-N574 PolarHBondContact O-N 2.7Å
571	I	87.5	Confident	90.7	Very high	104 Å²	104	44.9 Å²	44.9	53%	0.533	22%	0.22	S	C	.	.	S	Bend	trans	-63.3	-30.5	-175.5	-61.2	170	0	0	0	113.1	D551	D551-I571 HydrophobicContact CB-CD1 4.36Å; D551-I571 HydrophobicContact CB-CG1 3.89Å
572	L	87.6	Confident	90.4	Very high	52 Å²	52	43.7 Å²	43.7	27%	0.272	21%	0.213	S	C	.	.	S	Bend	trans	-81.4	-48.6	175.2	-79.6	164.5	0	0	0	110.6	K470 F516 D519 L520 D570 N574	K470-L572 PolarHBondContact NZ-O 3.45Å; F516-L572 HydrophobicContact CB-CD2 4.28Å; D519-L572 HydrophobicContact CB-CD1 3.94Å; D519-L572 HydrophobicContact CB-CD2 4.23Å; L520-L572 HydrophobicContact CB-CD2 3.89Å; D570-L572 VanDerWaalsContact C-N 3.3Å; D570-L572 PolarHBondContact O-N 2.85Å; D570-L572 WeakPolarHBondContact OD1-CA 3.26Å; D570-L572 WeakPolarHBondContact OD1-CB 3.33Å; D570-L572 PolarHBondContact OD1-N 3.4Å; L572-N574 PolarHBondContact O-N 3.25Å
573	R	91	Very high	89.9	Confident	116 Å²	116	49.7 Å²	49.7	44%	0.438	25%	0.245	S	C	.	.	S	Bend	trans	-96.1	64.2	-179.5	-61.3	179.6	-64.2	-174.3	1.3	109.8	D472 R569 D570	D472-R573 HydrophobicContact CB-CB 4.06Å; D472-R573 HydrophobicContact CB-CG 4.37Å; D472-R573 VanDerWaalsContact OD2-CA 3.24Å; D472-R573 WeakPolarHBondContact OD2-CA 3.29Å; R569-R573 HydrophobicContact CB-CB 4.39Å; R569-R573 PolarHBondContact N-O 2.9Å; D570-R573 PolarHBondContact N-O 3.29Å; D570-R573 CarbonylContact O-C 3.57Å; D570-R573 PolarHBondContact O-N 2.56Å; D570-R573 VanDerWaalsContact O-O 3.12Å; D570-R573 PolarHBondContact OD1-N 3.49Å; D570-R573 IonicContact OD1-NE 2.77Å; D570-R573 IonicContact OD2-CZ 3.26Å; D570-R573 IonicContact OD2-NE 3Å; D570-R573 PolarHBondContact OD2-NE 3.41Å; D570-R573 IonicContact OD2-NH2 2.74Å; D570-R573 PolarHBondContact OD2-NH2 2.57Å
574	N	91.1	Very high	89.4	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	25%	0.249	C	C	.	.			trans	-102.8	32.2	-178	67.9	-6.4	0	0	0	113.1	K470 D472 T550 P552 R564 D570 L572 V576	K470-N574 WeakPolarHBondContact CE-OD1 3.47Å; K470-N574 PolarHBondContact NZ-OD1 3.26Å; D472-N574 PolarHBondContact OD2-N 3.36Å; T550-N574 WeakPolarHBondContact CG2-ND2 3.45Å; T550-N574 WeakPolarHBondContact O-CB 3.46Å; T550-N574 PolarHBondContact O-ND2 2.89Å; P552-N574 HydrophobicContact CG-CB 4.08Å; R564-N574 WeakPolarHBondContact CG-O 3.32Å; D570-N574 WeakPolarHBondContact O-CA 3.46Å; D570-N574 WeakPolarHBondContact O-CB 3.46Å; D570-N574 PolarHBondContact O-N 2.7Å; L572-N574 PolarHBondContact O-N 3.25Å; N574-V576 PolarHBondContact O-N 2.85Å
575	A	93.9	Very high	88.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	61.1	-47.5	173.8	0	0	0	0	0	118.3	K470 D472 A473	K470-A575 WeakPolarHBondContact CB-O 3.24Å; K470-A575 PolarHBondContact N-O 2.63Å; D472-A575 WeakPolarHBondContact OD2-CA 3.44Å; D472-A575 PolarHBondContact OD2-N 3.34Å; A473-A575 HydrophobicContact CB-CB 3.47Å; A473-A575 VanDerWaalsContact CB-CB 3.47Å
576	V	95.2	Very high	88.4	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.2	-169.2	-72.5	0	0	0	0	113.5	A468 I469 I480 W543 M547 I563 R564 N574	A468-V576 CarbonylContact O-C 3.58Å; A468-V576 VanDerWaalsContact O-CA 3.27Å; A468-V576 WeakPolarHBondContact O-CA 3.49Å; I469-V576 HydrophobicContact CG1-CG1 4.19Å; I480-V576 HydrophobicContact CG2-CG1 4.26Å; W543-V576 HydrophobicContact CH2-CB 4.29Å; W543-V576 HydrophobicContact CH2-CG1 4.25Å; W543-V576 HydrophobicContact CZ2-CB 4.16Å; W543-V576 HydrophobicContact CZ2-CG1 4.47Å; M547-V576 HydrophobicContact CB-CG2 4.2Å; M547-V576 HydrophobicContact CG-CB 4.33Å; M547-V576 HydrophobicContact CG-CG2 3.67Å; M547-V576 HydrophobicContact SD-CB 4.3Å; M547-V576 HydrophobicContact SD-CG2 4.08Å; I563-V576 HydrophobicContact CB-CG2 4.01Å; I563-V576 HydrophobicContact CG2-CB 4.28Å; I563-V576 HydrophobicContact CG2-CG1 3.68Å; I563-V576 HydrophobicContact CG2-CG2 3.56Å; R564-V576 HydrophobicContact CG-CG2 3.83Å; R564-V576 PolarHBondContact NE-O 2.85Å; R564-V576 VanDerWaalsContact NE-O 3.12Å; R564-V576 PolarHBondContact NH2-O 3.31Å; N574-V576 PolarHBondContact O-N 2.85Å
577	H	91.8	Very high	87.9	Confident	36 Å²	36	54 Å²	54	17%	0.167	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.1	173.4	171.9	76.9	0	0	0	110.6	A468 W543 M547	A468-H577 HydrophobicContact CB-CB 4.33Å; A468-H577 PolarHBondContact N-O 3Å; A468-H577 PolarHBondContact O-N 3.27Å; W543-H577 PolarHBondContact NE1-O 3.39Å; M547-H577 VanDerWaalsContact SD-C 3.52Å
578	G	88.6	Confident	87.5	Confident	4 Å²	4	53.1 Å²	53.1	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	159.2	172.6	0	0	0	0	0	111.9	V466	V466-G578 WeakPolarHBondContact O-CA 3.44Å
579	S	86.1	Confident	87.2	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.			trans	-59.5	151.3	-174.3	-52.7	0	0	0	0	113	V466 V585	V466-S579 PolarHBondContact O-N 3.27Å; S579-V585 VanDerWaalsContact CB-CG2 3.41Å; S579-V585 WeakPolarHBondContact OG-CG2 3.36Å
580	S	80.3	Confident	87	Confident	57 Å²	57	50.9 Å²	50.9	40%	0.399	25%	0.25	S	S	.	.	S	Bend	trans	-94.3	-25.3	175.5	61.5	0	0	0	0	113.5	E584	S580-E584 WeakPolarHBondContact CB-OE2 3.45Å; S580-E584 PolarHBondContact N-OE2 3.23Å; S580-E584 PolarHBondContact OG-OE2 2.99Å
581	N	83.4	Confident	86.7	Confident	62 Å²	62	51.1 Å²	51.1	33%	0.332	25%	0.251	S	S	.	.	S	Bend	trans	-155.4	170.8	-174.9	64.4	70.4	0	0	0	110.7	D583 E584 V585	N581-D583 WeakPolarHBondContact OD1-CB 3.38Å; N581-D583 PolarHBondContact OD1-N 2.8Å; N581-E584 PolarHBondContact O-N 2.89Å; N581-E584 PolarHBondContact OD1-N 3.08Å; N581-V585 WeakPolarHBondContact O-CG2 3.32Å; N581-V585 PolarHBondContact O-N 3.05Å
582	K	83.7	Confident	86.4	Confident	126 Å²	126	46.7 Å²	46.7	55%	0.548	23%	0.229	S	C	.	.	H	α-helix	trans	-67.8	-33.3	-175.9	-67	-174.6	177.7	-173.7	0	113.9	E463 I540 E584 V585 Q586	E463-K582 WeakPolarHBondContact OE1-CE 3.24Å; E463-K582 IonicContact OE1-NZ 2.69Å; E463-K582 PolarHBondContact OE1-NZ 2.87Å; I540-K582 HydrophobicContact CD1-CG 3.69Å; K582-E584 VanDerWaalsContact C-N 3.31Å; K582-E584 PolarHBondContact O-N 3.19Å; K582-V585 WeakPolarHBondContact O-CB 3.44Å; K582-V585 PolarHBondContact O-N 2.95Å; K582-V585 VanDerWaalsContact O-N 3.16Å; K582-Q586 PolarHBondContact O-N 3.01Å
583	D	82.9	Confident	86	Confident	130 Å²	130	44.6 Å²	44.6	70%	0.695	22%	0.217	S	C	*	.	H	α-helix	trans	-67.5	-37.7	179.7	-46.9	-44	0	0	0	110.5	N581 Q586 R587	N581-D583 WeakPolarHBondContact OD1-CB 3.38Å; N581-D583 PolarHBondContact OD1-N 2.8Å; D583-Q586 PolarHBondContact O-N 3.46Å; D583-R587 VanDerWaalsContact O-CB 3.25Å; D583-R587 WeakPolarHBondContact O-CB 3.22Å; D583-R587 PolarHBondContact O-N 3.38Å
584	E	83.4	Confident	84.6	Confident	22 Å²	22	42.6 Å²	42.6	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-67.8	-34.3	171.9	-175.6	166	-126.3	0	0	112.5	S580 N581 K582 I588	S580-E584 WeakPolarHBondContact CB-OE2 3.45Å; S580-E584 PolarHBondContact N-OE2 3.23Å; S580-E584 PolarHBondContact OG-OE2 2.99Å; N581-E584 PolarHBondContact O-N 2.89Å; N581-E584 PolarHBondContact OD1-N 3.08Å; K582-E584 VanDerWaalsContact C-N 3.31Å; K582-E584 PolarHBondContact O-N 3.19Å; E584-I588 HydrophobicContact CG-CD1 3.69Å; E584-I588 HydrophobicContact CG-CG1 4.38Å; E584-I588 WeakPolarHBondContact O-CB 3.41Å; E584-I588 VanDerWaalsContact O-CG1 3.23Å; E584-I588 WeakPolarHBondContact O-CG1 3.45Å; E584-I588 PolarHBondContact O-N 2.98Å
585	V	83.9	Confident	82.6	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-53.4	170.6	177.1	0	0	0	0	110.1	K464 V466 I540 S579 N581 K582 R587 I588 Q589	K464-V585 HydrophobicContact CB-CG1 4.23Å; V466-V585 HydrophobicContact CG2-CG1 4.14Å; I540-V585 HydrophobicContact CD1-CG2 3.99Å; I540-V585 HydrophobicContact CG1-CG2 4.23Å; S579-V585 VanDerWaalsContact CB-CG2 3.41Å; S579-V585 WeakPolarHBondContact OG-CG2 3.36Å; N581-V585 WeakPolarHBondContact O-CG2 3.32Å; N581-V585 PolarHBondContact O-N 3.05Å; K582-V585 WeakPolarHBondContact O-CB 3.44Å; K582-V585 PolarHBondContact O-N 2.95Å; K582-V585 VanDerWaalsContact O-N 3.16Å; V585-R587 PolarHBondContact O-N 3.22Å; V585-I588 PolarHBondContact O-N 3.17Å; V585-Q589 VanDerWaalsContact O-CB 3.25Å; V585-Q589 WeakPolarHBondContact O-CB 3.46Å; V585-Q589 PolarHBondContact O-N 2.9Å
586	Q	84.9	Confident	80.2	Confident	104 Å²	104	45 Å²	45	49%	0.486	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-43.3	-178.8	-167	68.4	56.6	0	0	111.8	K582 D583 I588 Q589 N590	K582-Q586 PolarHBondContact O-N 3.01Å; D583-Q586 PolarHBondContact O-N 3.46Å; Q586-I588 PolarHBondContact O-N 3.47Å; Q586-Q589 PolarHBondContact O-N 2.93Å; Q586-N590 PolarHBondContact NE2-OD1 3.33Å; Q586-N590 WeakPolarHBondContact O-CB 3.44Å; Q586-N590 PolarHBondContact O-N 3.23Å; Q586-N590 PolarHBondContact O-OD1 3.48Å; Q586-N590 VanDerWaalsContact O-OD1 3.11Å
587	R	85	Confident	77.2	Confident	70 Å²	70	52 Å²	52	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-43	179.1	-169.5	-173.6	71.2	103.9	11.3	112.1	K506 L507 E509 D583 V585 L591	K506-R587 PolarHBondContact O-NH1 3.06Å; K506-R587 PolarHBondContact O-NH2 2.76Å; L507-R587 PolarHBondContact O-NH2 2.94Å; E509-R587 IonicContact OE2-NH1 2.75Å; E509-R587 PolarHBondContact OE2-NH1 3.41Å; D583-R587 VanDerWaalsContact O-CB 3.25Å; D583-R587 WeakPolarHBondContact O-CB 3.22Å; D583-R587 PolarHBondContact O-N 3.38Å; V585-R587 PolarHBondContact O-N 3.22Å; R587-L591 VanDerWaalsContact O-CB 3.28Å; R587-L591 WeakPolarHBondContact O-CB 3.41Å; R587-L591 PolarHBondContact O-N 3.1Å; R587-L591 VanDerWaalsContact O-N 3.09Å
588	I	84.4	Confident	74.7	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-75.2	-37.1	179.3	-64.2	172	0	0	0	111	V466 L507 E584 V585 Q586 L591 L592	V466-I588 HydrophobicContact CB-CG2 4.32Å; V466-I588 HydrophobicContact CG1-CG2 3.88Å; V466-I588 HydrophobicContact CG2-CB 4.06Å; V466-I588 HydrophobicContact CG2-CG2 3.98Å; L507-I588 HydrophobicContact CD2-CB 4.4Å; L507-I588 HydrophobicContact CD2-CG1 4.04Å; L507-I588 HydrophobicContact CD2-CG2 3.76Å; E584-I588 HydrophobicContact CG-CD1 3.69Å; E584-I588 HydrophobicContact CG-CG1 4.38Å; E584-I588 WeakPolarHBondContact O-CB 3.41Å; E584-I588 VanDerWaalsContact O-CG1 3.23Å; E584-I588 WeakPolarHBondContact O-CG1 3.45Å; E584-I588 PolarHBondContact O-N 2.98Å; V585-I588 PolarHBondContact O-N 3.17Å; Q586-I588 PolarHBondContact O-N 3.47Å; I588-L591 PolarHBondContact O-N 3.41Å; I588-L592 HydrophobicContact CG2-CD1 3.79Å; I588-L592 HydrophobicContact CG2-CG 4.38Å; I588-L592 PolarHBondContact O-N 3.46Å
589	Q	85.3	Confident	71.9	Confident	33 Å²	33	55.5 Å²	55.5	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-48.8	172.8	-172.4	179.5	-39.3	0	0	110.6	I533 V585 Q586 L591 L592 F593	I533-Q589 HydrophobicContact CD1-CB 4.18Å; I533-Q589 HydrophobicContact CD1-CG 4.04Å; V585-Q589 VanDerWaalsContact O-CB 3.25Å; V585-Q589 WeakPolarHBondContact O-CB 3.46Å; V585-Q589 PolarHBondContact O-N 2.9Å; Q586-Q589 PolarHBondContact O-N 2.93Å; Q589-L591 VanDerWaalsContact C-N 3.28Å; Q589-L591 PolarHBondContact O-N 2.86Å; Q589-L592 PolarHBondContact O-N 3.33Å; Q589-F593 HydrophobicContact CG-CB 4.17Å; Q589-F593 WeakPolarHBondContact O-CA 3.49Å; Q589-F593 WeakPolarHBondContact O-CB 3.24Å; Q589-F593 PolarHBondContact O-N 2.95Å
590	N	85.4	Confident	69.4	Low	98 Å²	98	61.4 Å²	61.4	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-64	-29.7	176.8	-68.3	13.4	0	0	0	113.1	Q586	Q586-N590 PolarHBondContact NE2-OD1 3.33Å; Q586-N590 WeakPolarHBondContact O-CB 3.44Å; Q586-N590 PolarHBondContact O-N 3.23Å; Q586-N590 PolarHBondContact O-OD1 3.48Å; Q586-N590 VanDerWaalsContact O-OD1 3.11Å
591	L	84.7	Confident	67	Low	48 Å²	48	65.4 Å²	65.4	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-81.8	-24.9	-179.1	-179.6	61	0	0	0	113.8	K506 L507 R587 I588 Q589	K506-L591 HydrophobicContact CB-CD1 4.39Å; K506-L591 HydrophobicContact CB-CD2 3.67Å; K506-L591 HydrophobicContact CD-CD1 3.94Å; L507-L591 HydrophobicContact CD2-CD2 3.83Å; L507-L591 HydrophobicContact CG-CD2 3.94Å; R587-L591 VanDerWaalsContact O-CB 3.28Å; R587-L591 WeakPolarHBondContact O-CB 3.41Å; R587-L591 PolarHBondContact O-N 3.1Å; R587-L591 VanDerWaalsContact O-N 3.09Å; I588-L591 PolarHBondContact O-N 3.41Å; Q589-L591 VanDerWaalsContact C-N 3.28Å; Q589-L591 PolarHBondContact O-N 2.86Å
592	L	82.9	Confident	64.5	Low	11 Å²	11	70 Å²	70	6%	0.058	37%	0.365	C	S	.	.	H	α-helix	trans	-118.6	-30.5	-173.9	-63.3	-179.5	0	0	0	114.3	K495 L499 I503 L507 F531 I588 Q589	K495-L592 WeakPolarHBondContact CD-O 3.23Å; K495-L592 WeakPolarHBondContact CE-O 3.17Å; K495-L592 PolarHBondContact NZ-O 3.06Å; L499-L592 HydrophobicContact CD2-CD2 4.31Å; I503-L592 HydrophobicContact CG2-CD2 3.77Å; L507-L592 HydrophobicContact CD1-CD1 4.43Å; L507-L592 HydrophobicContact CD1-CD2 4.4Å; L507-L592 HydrophobicContact CD2-CD1 3.89Å; L507-L592 HydrophobicContact CD2-CD2 4.47Å; L507-L592 HydrophobicContact CD2-CG 4.17Å; F531-L592 HydrophobicContact CB-CD1 4.28Å; F531-L592 HydrophobicContact CD1-CD1 3.33Å; F531-L592 HydrophobicContact CD2-CD1 3.82Å; F531-L592 HydrophobicContact CE1-CD1 3.42Å; F531-L592 VanDerWaalsContact CE1-CD1 3.42Å; F531-L592 HydrophobicContact CE2-CD1 3.9Å; F531-L592 HydrophobicContact CG-CD1 3.54Å; F531-L592 HydrophobicContact CZ-CD1 3.7Å; I588-L592 HydrophobicContact CG2-CD1 3.79Å; I588-L592 HydrophobicContact CG2-CG 4.38Å; I588-L592 PolarHBondContact O-N 3.46Å; Q589-L592 PolarHBondContact O-N 3.33Å
593	F	77.4	Confident	62.2	Low	8 Å²	8	71.7 Å²	71.7	4%	0.035	38%	0.376	C	S	.	.			trans	-114.7	10.4	-172.8	-63.1	-96.4	0	0	0	113.4	A493 K495 F531 I533 Q589 G595 I596	A493-F593 HydrophobicContact CB-CD1 4.06Å; A493-F593 HydrophobicContact CB-CE1 3.95Å; K495-F593 HydrophobicContact CB-CD1 4.38Å; K495-F593 HydrophobicContact CB-CE1 3.71Å; K495-F593 HydrophobicContact CB-CZ 3.97Å; F531-F593 HydrophobicContact CB-CE2 4Å; F531-F593 HydrophobicContact CB-CZ 3.86Å; I533-F593 HydrophobicContact CD1-CD2 3.88Å; I533-F593 HydrophobicContact CD1-CE2 3.74Å; I533-F593 HydrophobicContact CD1-CG 4.48Å; I533-F593 HydrophobicContact CD1-CZ 4.22Å; I533-F593 HydrophobicContact CG1-CD1 4.38Å; I533-F593 HydrophobicContact CG1-CD2 4.21Å; I533-F593 HydrophobicContact CG1-CE1 4.24Å; I533-F593 HydrophobicContact CG1-CE2 4.08Å; I533-F593 HydrophobicContact CG1-CG 4.37Å; I533-F593 HydrophobicContact CG1-CZ 4.1Å; Q589-F593 HydrophobicContact CG-CB 4.17Å; Q589-F593 WeakPolarHBondContact O-CA 3.49Å; Q589-F593 WeakPolarHBondContact O-CB 3.24Å; Q589-F593 PolarHBondContact O-N 2.95Å; F593-G595 PolarHBondContact O-N 3.41Å; F593-I596 HydrophobicContact CD1-CD1 4.18Å; F593-I596 PolarHBondContact O-N 3.12Å
594	S	63	Low	59.6	Low	74 Å²	74	71.8 Å²	71.8	52%	0.517	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	127.9	158.2	54.4	0	0	0	0	109.3
595	G	48.4	Very low	57.2	Low	25 Å²	25	79.6 Å²	79.6	26%	0.258	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	11.6	-167.6	0	0	0	0	0	115.1	E181 F593	E181-G595 CarbonylContact O-C 3.59Å; E181-G595 VanDerWaalsContact O-O 3.12Å; F593-G595 PolarHBondContact O-N 3.41Å
596	I	42.8	Very low	54.7	Low	30 Å²	30	84.9 Å²	84.9	15%	0.154	46%	0.457	C	S	.	.			trans	-143.4	97.8	170.5	-52.1	176	0	0	0	109.5	K233 F593 A598	K233-I596 HydrophobicContact CD-CG2 4.1Å; F593-I596 HydrophobicContact CD1-CD1 4.18Å; F593-I596 PolarHBondContact O-N 3.12Å; I596-A598 PolarHBondContact O-N 3.35Å
597	E	33	Very low	52.3	Low	147 Å²	147	84.9 Å²	84.9	69%	0.687	47%	0.468	S	S	*	.			trans	-65.4	127.6	164.6	-78.4	-170.1	161.9	0	0	110.6
598	A	38.3	Very low	49.8	Very low	19 Å²	19	93.3 Å²	93.3	16%	0.157	50%	0.5	C	S	.	.			trans	-83.9	126.8	166.4	0	0	0	0	0	108	I596 E600	I596-A598 PolarHBondContact O-N 3.35Å; A598-E600 PolarHBondContact O-N 3.08Å
599	S	30	Very low	47.2	Very low	94 Å²	94	98.7 Å²	98.7	66%	0.657	54%	0.538	S	S	*	.			trans	-62.1	100.9	-170.8	55.5	0	0	0	0	113.3	E601	S599-E601 PolarHBondContact O-N 2.93Å
600	E	35.5	Very low	44.6	Very low	123 Å²	123	102.3 Å²	102.3	58%	0.575	57%	0.567	S	S	*	*			trans	-97	50.1	176	-68.8	-164.3	165.3	0	0	112.8	K464 A598 N602	K464-E600 IonicContact NZ-OE1 2.7Å; K464-E600 PolarHBondContact NZ-OE1 3.07Å; A598-E600 PolarHBondContact O-N 3.08Å; E600-N602 PolarHBondContact O-N 3.47Å
601	E	29.6	Very low	42	Very low	142 Å²	142	109.7 Å²	109.7	66%	0.664	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	68.6	173.1	-68.8	172	-138.1	0	0	111.3	K235 S599	K235-E601 IonicContact NZ-OE1 3.79Å; K235-E601 PolarHBondContact NZ-OE1 3.27Å; S599-E601 PolarHBondContact O-N 2.93Å
602	N	30.7	Very low	39.4	Very low	157 Å²	157	118.5 Å²	118.5	84%	0.84	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.6	34.1	159.6	-106.2	-15.7	0	0	0	118.4	E600	E600-N602 PolarHBondContact O-N 3.47Å
603	Q	33.9	Very low	37.1	Very low	163 Å²	163	125.5 Å²	125.5	76%	0.762	66%	0.655	S	S	*	*	S	Bend	trans	-123.4	-2.8	175.6	-67.4	-162.6	12.2	0	0	117.2
604	T	30	Very low	35	Very low	131 Å²	131	129.9 Å²	129.9	80%	0.804	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	38.3	-165.6	47	0	0	0	0	116.2
605	M	31.6	Very low	33.8	Very low	186 Å²	186	134 Å²	134	92%	0.916	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-7.7	175.3	-78.5	-67.4	-78.5	0	0	116.3
606	S	31.9	Very low	32.9	Very low	117 Å²	117	139.1 Å²	139.1	82%	0.818	72%	0.722	S	S	*	*	S	Bend	trans	-92.7	-25.9	-173.2	-167.3	0	0	0	0	115.2
607	S	34.1	Very low	32.6	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	75%	0.753	S	S	*	*	S	Bend	trans	-99.5	-0.4	-160.6	56.9	0	0	0	0	117.1
608	R	32.3	Very low	32.7	Very low	247 Å²	247	147.3 Å²	147.3	93%	0.932	76%	0.76	S	S	*	*	S	Bend	trans	-106.2	7.7	-173.3	-80.8	-175.7	168.8	175.6	-3	116.3
609	S	30.6	Very low	32.3	Very low	115 Å²	115	154 Å²	154	80%	0.804	79%	0.79	S	S	*	*	S	Bend	trans	-123.9	66.6	-179.5	-163.2	0	0	0	0	113.6
610	S	30.5	Very low	32.6	Very low	109 Å²	109	155.7 Å²	155.7	76%	0.762	79%	0.792	S	S	*	*	S	Bend	trans	-178.8	63.7	164.3	38.7	0	0	0	0	113.4
611	R	30.7	Very low	32.6	Very low	253 Å²	253	154.8 Å²	154.8	96%	0.955	80%	0.795	S	S	*	*			trans	-162.8	59.2	169.5	-112.9	162.3	-156.7	-168.1	5.9	114.6
612	R	30.4	Very low	33	Very low	233 Å²	233	153.7 Å²	153.7	88%	0.879	79%	0.794	S	S	*	*			trans	-137.8	151.6	153.9	-68.2	-172.4	-175.2	150.5	4.3	107.5
613	D	34.3	Very low	33.3	Very low	158 Å²	158	154 Å²	154	85%	0.845	79%	0.788	S	S	*	*			trans	66.9	134.2	-174.4	-40.3	-34.5	0	0	0	112.1
614	S	34.3	Very low	33.2	Very low	101 Å²	101	153.2 Å²	153.2	71%	0.706	79%	0.788	S	S	*	*			cis	-154.2	171.2	9	-43.3	0	0	0	0	112.6
615	I	36.5	Very low	33.5	Very low	161 Å²	161	156.2 Å²	156.2	83%	0.826	79%	0.793	S	S	*	*			trans	84.6	142.4	150.8	-67.2	155.5	0	0	0	118.8
616	N	30.1	Very low	33.3	Very low	131 Å²	131	154.1 Å²	154.1	70%	0.701	78%	0.784	S	S	*	*			trans	-104.3	-169.6	179.3	-59	-38.6	0	0	0	111.6
617	E	35.7	Very low	33.5	Very low	169 Å²	169	157.4 Å²	157.4	79%	0.79	78%	0.78	S	S	*	*			trans	74.1	140.7	162.8	-66.7	140.3	-140.2	0	0	114.8
618	E	34.8	Very low	33.3	Very low	181 Å²	181	160.6 Å²	160.6	85%	0.846	78%	0.784	S	S	*	*			cis	-148.1	-170	6.1	-136.5	171.3	-164.9	0	0	112.1
619	M	30.9	Very low	33	Very low	160 Å²	160	154.7 Å²	154.7	79%	0.788	78%	0.775	S	S	*	*			trans	-75.9	164.5	-175.4	-67.6	157.3	45.5	0	0	113
620	D	35.8	Very low	33.1	Very low	128 Å²	128	158.5 Å²	158.5	68%	0.684	78%	0.777	S	S	*	*				-178.9	161.7	65.9	-140.8	-5.8	0	0	0	116.6
621	T	35.5	Very low	33	Very low	104 Å²	104	161.9 Å²	161.9	64%	0.638	78%	0.781	S	S	*	*			trans	61.5	114.3	154.3	51.5	0	0	0	0	125.6
622	D	37.8	Very low	33.1	Very low	120 Å²	120	158.6 Å²	158.6	64%	0.642	78%	0.776	S	S	*	*				79.6	123.3	117.7	-74.2	11.8	0	0	0	127.4
623	K	36.7	Very low	33.2	Very low	164 Å²	164	155.5 Å²	155.5	71%	0.713	77%	0.772	S	S	*	*			trans	91	100.4	131	-73.3	171.6	-178.7	117.7	0	122.9
624	D	31.9	Very low	33.1	Very low	146 Å²	146	155.7 Å²	155.7	78%	0.781	77%	0.768	S	S	*	*				33	126.2	117.7	-53.4	-22.8	0	0	0	121.3
625	H	36.2	Very low	33.1	Very low	194 Å²	194	155.2 Å²	155.2	90%	0.898	77%	0.769	S	S	*	*				-161.2	163.7	112.7	-105.8	-70.1	0	0	0	112.1
626	L	27.9	Very low	33	Very low	141 Å²	141	156.3 Å²	156.3	74%	0.738	77%	0.771	S	S	*	*			trans	-119.5	-175.3	-167.2	-159	75.5	0	0	0	111.5
627	Y	36	Very low	33.3	Very low	186 Å²	186	156.3 Å²	156.3	73%	0.729	78%	0.778	S	S	*	*			trans	87.2	142.1	169.1	-62.4	-80.6	0	0	0	116.4
628	E	30.4	Very low	33.4	Very low	172 Å²	172	153.3 Å²	153.3	80%	0.804	78%	0.783	S	S	*	*			cis	-152.7	174.2	-6.7	-151.3	156.2	-141.3	0	0	111.7
629	V	26.3	Very low	33.1	Very low	123 Å²	123	156.6 Å²	156.6	75%	0.745	79%	0.787	S	S	*	*			trans	-97.8	152.5	-178.3	174.9	0	0	0	0	112.2
630	K	32	Very low	33.2	Very low	194 Å²	194	153.8 Å²	153.8	84%	0.843	78%	0.783	S	S	*	*			trans	-138.1	134.5	155.8	-76.6	-165.4	172.1	-168.4	0	112.3
631	E	28	Very low	33.1	Very low	181 Å²	181	155 Å²	155	85%	0.846	79%	0.785	S	S	*	*			trans	-104.6	154.9	162.7	-60.6	174.5	121.6	0	0	108.9
632	E	33.8	Very low	33.1	Very low	183 Å²	183	157.1 Å²	157.1	86%	0.855	79%	0.788	S	S	*	*			trans	-136.2	147.6	160.4	-71.5	-168.7	159.7	0	0	110.2
633	Q	31.8	Very low	32.9	Very low	168 Å²	168	156.7 Å²	156.7	79%	0.785	79%	0.785	S	S	*	*			trans	-93.3	179.2	-177.2	-58.1	156.9	-89	0	0	109.5
634	E	33.4	Very low	32.8	Very low	163 Å²	163	156 Å²	156	76%	0.762	79%	0.785	S	S	*	*			cis	-151.6	-160.6	13.6	-152.4	120.4	-103.1	0	0	106.6
635	A	34.6	Very low	32.9	Very low	90 Å²	90	157.7 Å²	157.7	74%	0.744	79%	0.788	S	S	*	*			cis	-152.4	-114.4	13.7	0	0	0	0	0	112.9
636	E	34	Very low	32.6	Very low	185 Å²	185	153.8 Å²	153.8	86%	0.864	78%	0.778	S	S	*	*			trans	-125	157.9	-155.3	-58.6	-175.4	127	0	0	116.5
637	P	35	Very low	32.7	Very low	130 Å²	130	155.5 Å²	155.5	84%	0.844	78%	0.779	S	S	*	*			trans	-99.8	158.4	165.6	38.3	-32.7	0	0	0	113.9
638	A	37.9	Very low	32.8	Very low	107 Å²	107	152.8 Å²	152.8	88%	0.884	78%	0.777	S	S	*	*			trans	-119.4	163.3	178.5	0	0	0	0	0	113.6
639	R	28.2	Very low	32.9	Very low	250 Å²	250	153 Å²	153	94%	0.943	78%	0.778	S	S	*	*			trans	-147.7	128.9	-163.6	-177.8	-172.7	-175.1	-169.7	3.3	114.6
640	S	35	Very low	33.1	Very low	101 Å²	101	155.1 Å²	155.1	71%	0.706	78%	0.78	S	S	*	*			trans	-160.7	132.9	164.4	50.6	0	0	0	0	107.8
641	Q	33.7	Very low	33.2	Very low	152 Å²	152	152.4 Å²	152.4	71%	0.71	78%	0.775	S	S	*	*				54.3	128.8	73.2	-56.5	-166.5	-88.8	0	0	112.1
642	E	35.1	Very low	33.5	Very low	150 Å²	150	150.8 Å²	150.8	70%	0.701	77%	0.769	S	S	*	*			cis	-163.9	177.4	-3.7	-128.4	131	-127.3	0	0	107.2
643	N	33.8	Very low	33.3	Very low	110 Å²	110	148.5 Å²	148.5	59%	0.588	76%	0.762	S	S	*	*			cis	-156.3	-162.9	14.2	-157	3.1	0	0	0	110.4
644	E	34.8	Very low	33.3	Very low	151 Å²	151	147 Å²	147	71%	0.706	76%	0.759	S	S	*	*			trans	34	144.2	141.3	-75.2	152.4	178.2	0	0	122
645	E	33.9	Very low	33.2	Very low	180 Å²	180	143.3 Å²	143.3	84%	0.841	75%	0.751	S	S	*	*			cis	-156	170.7	3.9	-139.3	174.9	-178.4	0	0	111.5
646	T	28.6	Very low	33	Very low	112 Å²	112	146.4 Å²	146.4	69%	0.687	75%	0.751	S	S	*	*			trans	-95	151.1	-179.3	57.8	0	0	0	0	113.3
647	K	31.5	Very low	32.8	Very low	178 Å²	178	146.3 Å²	146.3	77%	0.774	75%	0.747	S	S	*	*				167.7	167.7	112.5	-106	175.2	-176.7	179.9	0	118.2
648	D	36.4	Very low	32.7	Very low	129 Å²	129	146.2 Å²	146.2	69%	0.69	74%	0.744	S	S	*	*			trans	63.4	151.8	154.7	-55.4	-13.1	0	0	0	119.3
649	E	34.1	Very low	32.4	Very low	175 Å²	175	147.9 Å²	147.9	82%	0.818	74%	0.738	S	S	*	*			cis	-159.5	166.3	-45.7	-129.8	175.4	-155.1	0	0	108.4
650	E	30.1	Very low	32.7	Very low	169 Å²	169	143.2 Å²	143.2	79%	0.79	73%	0.732	S	S	*	*			trans	-63	154.2	-177.3	-54.1	171.3	131.6	0	0	113.7
651	N	33.3	Very low	32.6	Very low	136 Å²	136	147 Å²	147	73%	0.727	74%	0.738	S	S	*	*				-178.3	143.8	113.2	-100.9	-71.9	0	0	0	116.3
652	M	34.1	Very low	32.6	Very low	148 Å²	148	148.2 Å²	148.2	73%	0.729	74%	0.744	S	S	*	*			trans	23	126.3	148.6	-59.2	-174.9	85.4	0	0	120.9
653	L	30.4	Very low	32.5	Very low	134 Å²	134	147.3 Å²	147.3	70%	0.702	74%	0.744	S	S	*	*				72.4	94.7	56.5	-172.1	123.7	0	0	0	114.9
654	N	30.8	Very low	32.4	Very low	137 Å²	137	149.4 Å²	149.4	73%	0.733	75%	0.753	S	S	*	*				-174.9	130.6	121.5	-113.3	-34.2	0	0	0	117.7
655	S	31.7	Very low	32.3	Very low	85 Å²	85	153.7 Å²	153.7	59%	0.594	76%	0.763	S	S	*	*				54.2	115.2	126.2	-65.8	0	0	0	0	125.2
656	Q	31.6	Very low	32.2	Very low	156 Å²	156	149.2 Å²	149.2	73%	0.729	76%	0.757	S	S	*	*				75.4	118.1	118.7	-64.5	-175.7	12.1	0	0	123.3
657	K	29.9	Very low	32.4	Very low	183 Å²	183	149 Å²	149	80%	0.796	76%	0.76	S	S	*	*			trans	66.3	163.4	137.1	-56.7	176.1	178.9	-179.2	0	116.4
658	V	32.9	Very low	32.5	Very low	128 Å²	128	146.5 Å²	146.5	78%	0.776	76%	0.762	S	S	*	*			cis	-130.4	166.4	10.3	-176	0	0	0	0	109.4
659	N	30	Very low	32.5	Very low	141 Å²	141	148.5 Å²	148.5	75%	0.754	77%	0.771	S	S	*	*			trans	-61.8	167.4	168	-54.7	-9	0	0	0	112.6
660	D	35.4	Very low	32.4	Very low	152 Å²	152	148.4 Å²	148.4	81%	0.813	77%	0.77	S	S	*	*				-177.5	174.9	108.3	-84.8	-15.9	0	0	0	111.1
661	E	32.5	Very low	32.4	Very low	182 Å²	182	147.3 Å²	147.3	85%	0.85	77%	0.769	S	S	*	*			trans	-90.6	160.1	-158.6	-56.1	169	115.8	0	0	115.1
662	E	34	Very low	32.4	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	78%	0.78	S	S	*	*				160.8	161	116	-87.3	-154.4	146.5	0	0	115.6
663	N	32.9	Very low	32.5	Very low	130 Å²	130	153.6 Å²	153.6	70%	0.695	78%	0.783	S	S	*	*			trans	86.3	68	145.7	-115.4	-42.4	0	0	0	122.6
664	I	31.3	Very low	32.4	Very low	154 Å²	154	155.5 Å²	155.5	79%	0.79	79%	0.788	S	S	*	*				21.2	116.4	118.6	-53.7	163.7	0	0	0	117.9
665	R	33.1	Very low	32.6	Very low	242 Å²	242	158.2 Å²	158.2	91%	0.913	80%	0.797	S	S	*	*				-166.7	137.9	129.5	-124.1	177.2	174.7	164.1	-0.9	116
666	A	32.1	Very low	32.8	Very low	86 Å²	86	160.1 Å²	160.1	71%	0.711	81%	0.81	S	S	*	*			trans	-77	169.3	156.6	0	0	0	0	0	110
667	S	32.7	Very low	33	Very low	108 Å²	108	158.6 Å²	158.6	76%	0.755	81%	0.811	S	S	*	*			cis	-165.5	169.2	37.9	46.6	0	0	0	0	111.3
668	P	34.2	Very low	33	Very low	125 Å²	125	157 Å²	157	81%	0.812	81%	0.811	S	S	*	*			trans	-93.3	172.3	-165.4	37.5	-36.8	0	0	0	115.3
669	I	36	Very low	33.1	Very low	171 Å²	171	156.5 Å²	156.5	88%	0.877	81%	0.814	S	S	*	*			trans	-127.4	139.2	173.3	-66.3	177	0	0	0	109.6
670	Q	30.8	Very low	33.2	Very low	172 Å²	172	157 Å²	157	80%	0.804	82%	0.816	S	S	*	*			trans	-106.1	173.1	173.1	-71.2	-177.8	-54.9	0	0	111.7
671	L	31.4	Very low	33.3	Very low	146 Å²	146	157.9 Å²	157.9	76%	0.764	82%	0.821	S	S	*	*			trans	73.9	113.8	163.4	-66.5	137.4	0	0	0	117.7
672	E	33.3	Very low	33.2	Very low	203 Å²	203	157.5 Å²	157.5	95%	0.949	82%	0.816	S	S	*	*				-143.6	155.2	121.1	-124.6	169.5	-165	0	0	110.3
673	R	34.8	Very low	33.2	Very low	214 Å²	214	156.5 Å²	156.5	81%	0.808	82%	0.815	S	S	*	*			trans	-113	139.9	-171.4	-86.1	-177.2	170.1	-179.7	-3.6	112.1
674	Q	29.9	Very low	33.2	Very low	173 Å²	173	156.8 Å²	156.8	81%	0.808	81%	0.812	S	S	*	*			trans	25.4	106.9	143.2	-63.4	176.3	-22.5	0	0	118.3
675	Q	35	Very low	33.4	Very low	195 Å²	195	155.7 Å²	155.7	91%	0.911	80%	0.804	S	S	*	*			trans	-168.2	110	141.3	-115.9	162	81.8	0	0	114.1
676	S	34.9	Very low	33.4	Very low	124 Å²	124	152 Å²	152	87%	0.867	80%	0.797	S	S	*	*			trans	-179.4	152.1	141.1	32.8	0	0	0	0	109.7
677	V	36	Very low	33.5	Very low	124 Å²	124	156.1 Å²	156.1	75%	0.752	80%	0.801	S	S	*	*			trans	-141.8	137.2	-172.6	167.9	0	0	0	0	108.9
678	N	29.2	Very low	33.6	Very low	149 Å²	149	157.2 Å²	157.2	80%	0.797	80%	0.799	S	S	*	*			trans	55.2	118.2	169.5	-61	-7.2	0	0	0	118.3
679	S	35	Very low	33.5	Very low	119 Å²	119	158.3 Å²	158.3	83%	0.832	79%	0.793	S	S	*	*				-160.5	150.1	117	15.5	0	0	0	0	112
680	D	33.5	Very low	33.5	Very low	151 Å²	151	159 Å²	159	81%	0.807	80%	0.798	S	S	*	*			trans	-53.7	148.2	-168.4	-49.3	-91.2	0	0	0	116.5
681	N	36.2	Very low	33.5	Very low	170 Å²	170	155.8 Å²	155.8	91%	0.909	79%	0.79	S	S	*	*				-152.5	155.6	124.6	-108.2	-53.3	0	0	0	112.3
682	K	30.2	Very low	33.6	Very low	174 Å²	174	158.3 Å²	158.3	76%	0.757	80%	0.798	S	S	*	*			trans	-140.9	138.1	-165.8	-173.4	-176.8	-173.2	-179.3	0	109.3
683	I	34.9	Very low	33.6	Very low	156 Å²	156	154.7 Å²	154.7	80%	0.8	79%	0.789	S	S	*	*			trans	156.3	148.3	168.1	-88.9	150	0	0	0	106.2
684	Q	32	Very low	33.6	Very low	136 Å²	136	150.7 Å²	150.7	64%	0.636	79%	0.788	S	S	*	*			cis	177.3	164.8	-46.1	-109.1	-174.5	-82	0	0	106.9
685	H	35.8	Very low	33.7	Very low	132 Å²	132	148.8 Å²	148.8	61%	0.611	79%	0.789	S	S	*	*			trans	74.2	117.9	178.5	-58	-72.8	0	0	0	113.9
686	E	32.9	Very low	33.8	Very low	164 Å²	164	146.6 Å²	146.6	77%	0.766	78%	0.783	S	S	*	*				76.5	149.8	66.3	-70.8	163.2	-164.5	0	0	112.1
687	E	35.3	Very low	33.9	Very low	173 Å²	173	147 Å²	147	81%	0.808	78%	0.781	S	S	*	*			cis	-90.5	-165.2	-1.2	-45.8	-177.5	152.3	0	0	111.3
688	N	34.3	Very low	34.1	Very low	130 Å²	130	149 Å²	149	70%	0.695	79%	0.786	S	S	*	*			cis	-153.4	176.1	-8.4	-145.3	-41.9	0	0	0	109.5
689	E	32.6	Very low	34.6	Very low	149 Å²	149	147.3 Å²	147.3	70%	0.696	78%	0.783	S	S	*	*			trans	-131.2	151.4	168.1	-76.6	-173.6	114.3	0	0	111.4
690	L	35.1	Very low	34.6	Very low	186 Å²	186	148.5 Å²	148.5	97%	0.974	79%	0.785	S	S	*	*			trans	-126.1	102.1	155.1	-89	171.7	0	0	0	108.3
691	T	30.9	Very low	35.1	Very low	104 Å²	104	150.1 Å²	150.1	64%	0.638	79%	0.788	S	S	*	*			trans	-106.3	136.6	176	46	0	0	0	0	110.1
692	E	34.9	Very low	35.1	Very low	199 Å²	199	150.9 Å²	150.9	93%	0.93	79%	0.786	S	S	*	*			trans	-149.8	151.3	145.9	-131.7	170.9	-148.4	0	0	109.6
693	T	32.3	Very low	35.6	Very low	126 Å²	126	150.6 Å²	150.6	77%	0.773	79%	0.791	S	S	*	*			trans	-125.2	136.3	-164.5	49.9	0	0	0	0	111.7
694	V	33.8	Very low	35.9	Very low	130 Å²	130	148.8 Å²	148.8	79%	0.788	79%	0.787	S	S	*	*			trans	-135.5	108.7	161.5	-176.6	0	0	0	0	108.4
695	T	33.9	Very low	36	Very low	133 Å²	133	149.8 Å²	149.8	82%	0.816	79%	0.792	S	S	*	*			trans	-113.7	101.9	166.3	54	0	0	0	0	108.2
696	D	35.9	Very low	36.2	Very low	149 Å²	149	153.5 Å²	153.5	80%	0.797	81%	0.806	S	S	*	*			trans	-97.3	131.8	171.6	-99.7	-41.6	0	0	0	110.9
697	T	36.7	Very low	36.2	Very low	134 Å²	134	151.1 Å²	151.1	82%	0.822	80%	0.803	S	S	*	*			trans	-104.4	122.5	178.1	19.8	0	0	0	0	110.5
698	I	41.6	Very low	36.5	Very low	165 Å²	165	152.2 Å²	152.2	85%	0.846	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.9	133.6	174.7	-60.2	179.7	0	0	0	109.2
699	P	38.8	Very low	36.6	Very low	113 Å²	113	152.6 Å²	152.6	73%	0.734	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-85.3	152.6	-168.8	-7.5	26.2	0	0	0	113.9
700	T	35.6	Very low	37	Very low	144 Å²	144	151.2 Å²	151.2	88%	0.883	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86.2	125.9	158.5	48.4	0	0	0	0	110.4
701	E	42.6	Very low	37.2	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	81%	0.812	S	S	*	*			trans	-115.7	136.2	161.8	-73.3	-163.5	139.4	0	0	110.6
702	E	37.1	Very low	37.7	Very low	186 Å²	186	147.9 Å²	147.9	87%	0.869	82%	0.819	S	S	*	*			trans	-82.5	143.5	168.8	-61.1	176.1	108	0	0	110
703	I	41	Very low	38.1	Very low	168 Å²	168	143.6 Å²	143.6	86%	0.862	81%	0.811	S	S	*	*			trans	-120.2	129.9	160.7	-65.8	-175.4	0	0	0	109.3
704	V	40.8	Very low	38.6	Very low	119 Å²	119	142.5 Å²	142.5	72%	0.721	81%	0.808	S	S	*	*			trans	-84.9	139	-159.8	176.7	0	0	0	0	113.1
705	E	34.8	Very low	39.1	Very low	157 Å²	157	141.8 Å²	141.8	73%	0.734	81%	0.809	S	S	*	*			trans	-12.1	133.7	152.8	-178	-179.7	-133.2	0	0	117.1
706	K	39.1	Very low	39.4	Very low	209 Å²	209	139.2 Å²	139.2	91%	0.909	81%	0.808	S	S	*	*			trans	-151.8	117.4	147.5	-120.1	166.9	-170.3	175	0	112.9
707	T	34.2	Very low	39.7	Very low	114 Å²	114	135.7 Å²	135.7	70%	0.699	81%	0.807	S	S	*	*			trans	-104.3	122.6	174.6	42.4	0	0	0	0	109.9
708	E	41.4	Very low	40.1	Very low	196 Å²	196	135.5 Å²	135.5	92%	0.916	81%	0.806	S	S	*	*			trans	-137.4	146.9	161.8	-76.9	-162.6	162.2	0	0	110.3
709	T	35.9	Very low	40.4	Very low	139 Å²	139	136.3 Å²	136.3	85%	0.853	81%	0.806	S	S	*	*			trans	-124	127.2	-170.7	50.2	0	0	0	0	111.2
710	S	40.1	Very low	40.7	Very low	119 Å²	119	139.8 Å²	139.8	83%	0.832	81%	0.809	S	S	*	*			trans	-153.6	127.6	158.8	58.4	0	0	0	0	113.5
711	S	40.5	Very low	41.3	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	81%	0.806	S	S	*	*			trans	-40.7	147.6	172.3	52.3	0	0	0	0	118.1
712	S	41.5	Very low	41.6	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	80%	0.801	S	S	*	*				-171.9	161.1	107.2	41.7	0	0	0	0	115.4
713	S	42.3	Very low	42.3	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	79%	0.793	S	S	*	*			trans	-27.1	156.3	162.7	34.6	0	0	0	0	118.6
714	S	42.5	Very low	43	Very low	102 Å²	102	138 Å²	138	71%	0.713	82%	0.816	S	S	*	*			cis	-171.8	149.8	9.1	39.3	0	0	0	0	115.4
715	S	44.3	Very low	43.1	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	82%	0.82	S	S	*	*			trans	51.8	130.4	140.2	67.6	0	0	0	0	123.9
716	G	40.7	Very low	43.6	Very low	78 Å²	78	137.9 Å²	137.9	80%	0.804	83%	0.825	S	S	*	*				137.1	116.5	124.4	0	0	0	0	0	119.2
717	G	42.2	Very low	43.8	Very low	75 Å²	75	134 Å²	134	77%	0.773	82%	0.82	S	S	*	*			trans	73.3	123.7	163.8	0	0	0	0	0	115.6
718	V	45.8	Very low	44.4	Very low	131 Å²	131	135.2 Å²	135.2	79%	0.794	83%	0.827	S	S	*	*			cis	70	96.5	24.8	-167.2	0	0	0	0	115.1
719	H	48	Very low	44.6	Very low	181 Å²	181	131.4 Å²	131.4	84%	0.838	82%	0.822	S	S	*	*				-160.7	152.9	114.6	-120.1	-83.1	0	0	0	113.9
720	K	44.2	Very low	45.1	Very low	186 Å²	186	130.9 Å²	130.9	81%	0.809	82%	0.82	S	S	*	*			trans	-101.5	146.2	164.2	-67.8	-178.6	174.9	-173.1	0	110
721	T	47.6	Very low	45.5	Very low	133 Å²	133	131.7 Å²	131.7	82%	0.816	82%	0.819	S	S	*	*				172.7	127.8	128.8	34	0	0	0	0	106.5
722	Q	49.1	Very low	45.9	Very low	163 Å²	163	133.4 Å²	133.4	76%	0.762	82%	0.823	S	S	*	*				76.3	133.3	50.7	-129.1	-160.4	-61.7	0	0	114.7
723	D	52.7	Low	46.3	Very low	131 Å²	131	135.3 Å²	135.3	70%	0.701	83%	0.827	S	S	*	*			trans	66.2	94.8	165.6	-50.7	-17.6	0	0	0	120.5
724	T	55.7	Low	46.6	Very low	218 Å²	218	137.6 Å²	137.6	100%	1.337	83%	0.833	S	S	*	*				-146.3	0	121.2	47.5	0	0	0	0	109.2

Retrieved 724 of 724 residues in 328 ms (Link to these results)

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