A0A061I498_CRIGR Loading...

Disks large homolog 1

AlphaFold DB , UniProt , Accession A0A061I498, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Dlg1, Length 926 aa.

						>A0A061I498_CRIGR|A0A061I498|Dlg1
MPVRKQDTQRALHLLEEYRSKLSQTEDRQLRSSIERVINIFQSNLFQALIDIQEFYEVTLLDNPKCVDHSKQSEPIPPVNTWEIASLPSTTVTSETLPSSLSPPVEKYRYQDEEVPPPEHISPPVTNEVLGPELVHVSEKNLSEIENVHGFVSHSHISPVKPTEAVPPSSPTVPVTPALPVPAESTVVLSTAPQANPPPVLVNTDSLETPTYVNGTDADYEYEEITLERGNSGLGFSIAGGTDNPHVGDDSSIFITKIITGGAAAQDGRLRVNDCILRVNEADVRDVTHSKAVEALKEAGSIVRLYVKRRKPVSERIMEIKLIKGPKGLGFSIAGGVGNQHIPGDNSIYVTKIIEGGAAHKDGKLQIGDKLLAVNSVCLEEVTHEEAVTALKNTSDFVYLKVAKPTSMYINDGYAPPDITNSSQPVDNHVSPSSYLGQTPSSPARYSPISKAVLGDDEITREPRKVVLHRGSTGLGFNIVGGEDGEGIFISFILAGGPADLSGELRKGDRIISVNSVDLRAASHEQAAAALKNAGQAVTIVAQYRPEEYSRFEAKIHDLREQLMSSSISSGSGSLRTSQKRSLYVRALFDYDKTKDSGLPSQGLNFKFGDILHVINASDDEWWQARQVTPDGESDEVGVIPSKRRVEKKERARLKTVKFNSKTRGDKGQSFNDKRKKNLFSRKFPFYKNKDQSEQETSDADQHVTSNASDSESSYRGQEEYVLSYEPVNQQEVNYTRPVIILGPMKDRVNDDLISEFPDKFGSCVPHTTRPKRDYEVDGRDYHFVTSREQMEKDIQEHKFIEAGQYNNHLYGTSVQSVRAVAEKGKHCILDVSGNAIKRLQIAQLYPISVFIKPKSMENIMEMNKRLTEEQARRTFERAMKLEQEFTEHFTAIVQGDTLEDIYNQVKQVIEEQSGPYIWVPAKEKL
					

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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	40.6	Very low	73.5	Confident	231 Å²	231	106.3 Å²	106.3	100%	1.138	52%	0.515	S	S	*	.				0	137.6	0	-75.4	171.6	162.2	0	0	107.8
2	P	56.1	Low	74.6	Confident	84 Å²	84	99.5 Å²	99.5	55%	0.545	48%	0.483	S	S	.	.			trans	-61.9	148	168.6	-16.9	31.1	0	0	0	110.3
3	V	64.2	Low	75.6	Confident	74 Å²	74	101.2 Å²	101.2	45%	0.448	49%	0.489	S	S	.	.			trans	-89	111.7	178.5	175.6	0	0	0	0	107.8	T8 I50 Q53	V3-T8 WeakPolarHBondContact CG1-OG1 3.42Å; V3-I50 HydrophobicContact CG1-CD1 4.04Å; V3-Q53 PolarHBondContact O-NE2 2.89Å; V3-Q53 PolarHBondContact O-OE1 3.38Å
4	R	75.3	Confident	76.5	Confident	142 Å²	142	101.1 Å²	101.1	54%	0.536	49%	0.491	S	S	.	.			trans	-87.3	150.8	-176.7	-68.8	179.3	161.6	170.4	-5.4	111.9	Q6 D7 T8 E57	R4-Q6 VanDerWaalsContact C-N 3.27Å; R4-Q6 PolarHBondContact O-N 3.5Å; R4-D7 HydrophobicContact CB-CB 4.49Å; R4-D7 PolarHBondContact O-N 2.88Å; R4-D7 VanDerWaalsContact O-N 3.17Å; R4-T8 WeakPolarHBondContact O-CB 3.42Å; R4-T8 PolarHBondContact O-N 3.1Å; R4-T8 PolarHBondContact O-OG1 2.67Å; R4-E57 IonicContact NE-OE2 2.66Å; R4-E57 IonicContact NH2-OE2 2.89Å
5	K	78.8	Confident	77.2	Confident	56 Å²	56	97.3 Å²	97.3	24%	0.243	47%	0.474	C	S	.	.	H	α-helix	trans	-55	-40.8	177	-161.9	161.7	-177.8	163.2	0	112.4	T8 Q9 I50 D51 E54	K5-T8 WeakPolarHBondContact O-CB 3.25Å; K5-T8 PolarHBondContact O-N 2.77Å; K5-Q9 WeakPolarHBondContact O-CG 3.46Å; K5-Q9 PolarHBondContact O-N 2.75Å; K5-I50 HydrophobicContact CB-CG2 3.72Å; K5-I50 HydrophobicContact CD-CG2 3.91Å; K5-I50 HydrophobicContact CG-CG2 3.71Å; K5-D51 WeakPolarHBondContact CE-OD1 3.11Å; K5-D51 IonicContact NZ-OD1 3.22Å; K5-D51 PolarHBondContact NZ-OD1 3.01Å; K5-E54 WeakPolarHBondContact CD-OE1 3.06Å; K5-E54 VanDerWaalsContact CD-OE2 3.24Å; K5-E54 WeakPolarHBondContact CD-OE2 3.41Å; K5-E54 IonicContact NZ-OE2 3.27Å; K5-E54 PolarHBondContact NZ-OE2 2.98Å
6	Q	78.5	Confident	77.8	Confident	155 Å²	155	96.6 Å²	96.6	72%	0.724	47%	0.469	S	S	*	.	H	α-helix	trans	-67	-45.7	175.7	-64.8	-179.7	-2	0	0	112.9	R4 T8 Q9 R10	R4-Q6 VanDerWaalsContact C-N 3.27Å; R4-Q6 PolarHBondContact O-N 3.5Å; Q6-T8 VanDerWaalsContact C-N 3.29Å; Q6-T8 PolarHBondContact O-N 3.09Å; Q6-Q9 PolarHBondContact O-N 3.23Å; Q6-R10 WeakPolarHBondContact O-CB 3.01Å; Q6-R10 PolarHBondContact O-N 3.07Å
7	D	81.9	Confident	78.2	Confident	89 Å²	89	95.5 Å²	95.5	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-34.9	177.5	-65.8	-48.3	0	0	0	111.6	R4 R10 A11	R4-D7 HydrophobicContact CB-CB 4.49Å; R4-D7 PolarHBondContact O-N 2.88Å; R4-D7 VanDerWaalsContact O-N 3.17Å; D7-R10 PolarHBondContact O-N 3.07Å; D7-A11 WeakPolarHBondContact O-CB 3.5Å; D7-A11 PolarHBondContact O-N 2.81Å
8	T	83.7	Confident	78.4	Confident	7 Å²	7	97.1 Å²	97.1	4%	0.043	47%	0.465	C	S	.	.	H	α-helix	trans	-62.1	-49.7	173.7	-58.3	0	0	0	0	111.6	V3 R4 K5 Q6 R10 A11 L12 F41 F46	V3-T8 WeakPolarHBondContact CG1-OG1 3.42Å; R4-T8 WeakPolarHBondContact O-CB 3.42Å; R4-T8 PolarHBondContact O-N 3.1Å; R4-T8 PolarHBondContact O-OG1 2.67Å; K5-T8 WeakPolarHBondContact O-CB 3.25Å; K5-T8 PolarHBondContact O-N 2.77Å; Q6-T8 VanDerWaalsContact C-N 3.29Å; Q6-T8 PolarHBondContact O-N 3.09Å; T8-R10 VanDerWaalsContact C-N 3.33Å; T8-R10 PolarHBondContact O-N 2.84Å; T8-A11 PolarHBondContact O-N 2.71Å; T8-L12 PolarHBondContact O-N 3.06Å; T8-F41 HydrophobicContact CG2-CD1 3.72Å; T8-F41 HydrophobicContact CG2-CE1 4.11Å; T8-F46 HydrophobicContact CG2-CE1 3.73Å
9	Q	81.1	Confident	78.7	Confident	117 Å²	117	95.8 Å²	95.8	55%	0.547	45%	0.454	S	S	.	.	H	α-helix	trans	-63.2	-38.9	176.4	-73.3	171.5	-11.1	0	0	111.8	K5 Q6 L12 H13	K5-Q9 WeakPolarHBondContact O-CG 3.46Å; K5-Q9 PolarHBondContact O-N 2.75Å; Q6-Q9 PolarHBondContact O-N 3.23Å; Q9-L12 PolarHBondContact O-N 2.95Å; Q9-H13 PolarHBondContact O-N 3.46Å
10	R	83.8	Confident	78.8	Confident	180 Å²	180	95.1 Å²	95.1	68%	0.679	46%	0.46	S	S	*	.	H	α-helix	trans	-64.9	-40.4	175.2	-168.5	178.6	-174.3	-175.2	2.5	112.2	Q6 D7 T8 L14	Q6-R10 WeakPolarHBondContact O-CB 3.01Å; Q6-R10 PolarHBondContact O-N 3.07Å; D7-R10 PolarHBondContact O-N 3.07Å; T8-R10 VanDerWaalsContact C-N 3.33Å; T8-R10 PolarHBondContact O-N 2.84Å; R10-L14 HydrophobicContact CG-CD1 4.41Å; R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.19Å; R10-L14 PolarHBondContact O-N 3.27Å; R10-L14 VanDerWaalsContact O-N 3.12Å
11	A	84.6	Confident	78.8	Confident	34 Å²	34	96.6 Å²	96.6	28%	0.281	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-42.7	174.8	0	0	0	0	0	112	D7 T8 L14 L15 F41	D7-A11 WeakPolarHBondContact O-CB 3.5Å; D7-A11 PolarHBondContact O-N 2.81Å; T8-A11 PolarHBondContact O-N 2.71Å; A11-L14 PolarHBondContact O-N 3.05Å; A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 2.97Å; A11-F41 HydrophobicContact CB-CE1 4.33Å
12	L	86.9	Confident	80.6	Confident	25 Å²	25	86.4 Å²	86.4	13%	0.131	42%	0.415	C	S	.	.	H	α-helix	trans	-56.9	-51.5	173.5	-90.7	171.1	0	0	0	112	T8 Q9 L14 L15 E16 I38 F41 Q42	T8-L12 PolarHBondContact O-N 3.06Å; Q9-L12 PolarHBondContact O-N 2.95Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.05Å; L12-L15 PolarHBondContact O-N 2.93Å; L12-L15 VanDerWaalsContact O-N 3.12Å; L12-E16 PolarHBondContact O-N 2.83Å; L12-I38 HydrophobicContact CD2-CB 4.39Å; L12-I38 HydrophobicContact CD2-CG1 4.43Å; L12-I38 HydrophobicContact CD2-CG2 4.01Å; L12-F41 HydrophobicContact CD1-CB 4.08Å; L12-F41 HydrophobicContact CD2-CB 3.61Å; L12-F41 HydrophobicContact CD2-CG 4.4Å; L12-F41 HydrophobicContact CG-CB 3.82Å; L12-F41 HydrophobicContact CG-CD1 4.17Å; L12-F41 HydrophobicContact CG-CG 4.36Å; L12-Q42 HydrophobicContact CD1-CG 4.25Å; L12-Q42 HydrophobicContact CD2-CG 4.03Å
13	H	87.1	Confident	81	Confident	121 Å²	121	87.5 Å²	87.5	56%	0.56	42%	0.424	S	S	*	.	H	α-helix	trans	-58.2	-42.5	178.9	-173.4	-67	0	0	0	112	Q9 E16 E17	Q9-H13 PolarHBondContact O-N 3.46Å; H13-E16 PolarHBondContact O-N 2.89Å; H13-E17 IonicContact ND1-OE2 3.41Å; H13-E17 VanDerWaalsContact O-CB 3.29Å; H13-E17 WeakPolarHBondContact O-CB 3.37Å; H13-E17 PolarHBondContact O-N 3.04Å
14	L	88.6	Confident	81	Confident	100 Å²	100	90.8 Å²	90.8	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-66.2	-36.5	177.3	-71.4	168.9	0	0	0	112.6	R10 A11 L12 Y18	R10-L14 HydrophobicContact CG-CD1 4.41Å; R10-L14 VanDerWaalsContact O-CG 3.32Å; R10-L14 WeakPolarHBondContact O-CG 3.19Å; R10-L14 PolarHBondContact O-N 3.27Å; R10-L14 VanDerWaalsContact O-N 3.12Å; A11-L14 PolarHBondContact O-N 3.05Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.05Å; L14-Y18 VanDerWaalsContact O-CB 3.3Å; L14-Y18 WeakPolarHBondContact O-CB 3.35Å; L14-Y18 PolarHBondContact O-N 2.92Å
15	L	87.4	Confident	80.2	Confident	45 Å²	45	90.4 Å²	90.4	24%	0.236	45%	0.449	C	S	.	.	H	α-helix	trans	-69.6	-38.2	175.6	-71.9	168.4	0	0	0	112.2	A11 L12 Y18 R19 I34 V37 I38	A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 2.93Å; L12-L15 VanDerWaalsContact O-N 3.12Å; L15-Y18 PolarHBondContact O-N 3.25Å; L15-R19 VanDerWaalsContact O-CB 3.25Å; L15-R19 WeakPolarHBondContact O-CB 3.17Å; L15-R19 PolarHBondContact O-N 2.82Å; L15-I34 HydrophobicContact CB-CG2 4.33Å; L15-I34 HydrophobicContact CD2-CG2 4.29Å; L15-V37 HydrophobicContact CD1-CG1 3.83Å; L15-I38 HydrophobicContact CB-CD1 4.19Å; L15-I38 HydrophobicContact CB-CG1 3.93Å
16	E	86.1	Confident	79.3	Confident	85 Å²	85	96.4 Å²	96.4	40%	0.397	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-41.4	175	-72.5	179.8	172.8	0	0	112	L12 H13 Y18 R19 S20 I38 Q42	L12-E16 PolarHBondContact O-N 2.83Å; H13-E16 PolarHBondContact O-N 2.89Å; E16-Y18 VanDerWaalsContact C-N 3.33Å; E16-Y18 PolarHBondContact O-N 2.85Å; E16-R19 PolarHBondContact O-N 2.8Å; E16-S20 PolarHBondContact O-N 2.73Å; E16-I38 HydrophobicContact CG-CD1 3.83Å; E16-I38 HydrophobicContact CG-CG1 4.39Å; E16-I38 HydrophobicContact CG-CG2 4.5Å; E16-Q42 PolarHBondContact OE1-NE2 2.74Å
17	E	85.1	Confident	78.6	Confident	78 Å²	78	91.8 Å²	91.8	36%	0.364	46%	0.458	S	S	.	.	H	α-helix	trans	-64.9	-35.8	174.1	-162.5	-165.1	147.2	0	0	111.9	H13 S20 K21	H13-E17 IonicContact ND1-OE2 3.41Å; H13-E17 VanDerWaalsContact O-CB 3.29Å; H13-E17 WeakPolarHBondContact O-CB 3.37Å; H13-E17 PolarHBondContact O-N 3.04Å; E17-S20 PolarHBondContact O-OG 3.07Å; E17-K21 WeakPolarHBondContact O-CD 3.5Å; E17-K21 WeakPolarHBondContact O-CG 3.24Å; E17-K21 WeakPolarHBondContact OE1-CE 3.44Å; E17-K21 IonicContact OE1-NZ 2.61Å; E17-K21 PolarHBondContact OE1-NZ 3.41Å
18	Y	82	Confident	78.1	Confident	125 Å²	125	97.5 Å²	97.5	49%	0.49	47%	0.473	S	S	.	.	H	α-helix	trans	-72.5	-41.2	173.4	-165.9	-113	0	0	0	111.6	L14 L15 E16 S20 K21 L22 I34	L14-Y18 VanDerWaalsContact O-CB 3.3Å; L14-Y18 WeakPolarHBondContact O-CB 3.35Å; L14-Y18 PolarHBondContact O-N 2.92Å; L15-Y18 PolarHBondContact O-N 3.25Å; E16-Y18 VanDerWaalsContact C-N 3.33Å; E16-Y18 PolarHBondContact O-N 2.85Å; Y18-S20 VanDerWaalsContact C-N 3.29Å; Y18-S20 PolarHBondContact O-N 2.83Å; Y18-K21 PolarHBondContact O-N 2.81Å; Y18-L22 PolarHBondContact O-N 2.64Å; Y18-I34 HydrophobicContact CD1-CD1 3.7Å; Y18-I34 HydrophobicContact CE1-CD1 3.98Å
19	R	83.4	Confident	77.7	Confident	72 Å²	72	105.2 Å²	105.2	27%	0.272	51%	0.508	S	S	.	.	H	α-helix	trans	-59.8	-34.7	175.3	-179.9	172.7	171.2	-106.4	0.1	112.8	L15 E16 R31 I34 E35 I38	L15-R19 VanDerWaalsContact O-CB 3.25Å; L15-R19 WeakPolarHBondContact O-CB 3.17Å; L15-R19 PolarHBondContact O-N 2.82Å; E16-R19 PolarHBondContact O-N 2.8Å; R19-R31 HydrophobicContact CG-CG 4.25Å; R19-I34 HydrophobicContact CB-CG2 4.01Å; R19-E35 IonicContact CZ-OE1 3.78Å; R19-E35 IonicContact CZ-OE2 2.76Å; R19-E35 VanDerWaalsContact CZ-OE2 3.22Å; R19-E35 IonicContact NE-OE2 3.97Å; R19-E35 PolarHBondContact NE-OE2 2.86Å; R19-E35 IonicContact NH2-OE1 2.91Å; R19-E35 PolarHBondContact NH2-OE1 2.88Å; R19-E35 IonicContact NH2-OE2 2.93Å; R19-E35 PolarHBondContact NH2-OE2 2.89Å; R19-I38 HydrophobicContact CB-CD1 4.46Å
20	S	80.3	Confident	77.7	Confident	82 Å²	82	103 Å²	103	57%	0.573	50%	0.499	S	S	*	.	H	α-helix	trans	-74.3	-28	178.6	70.1	0	0	0	0	113.4	E16 E17 Y18	E16-S20 PolarHBondContact O-N 2.73Å; E17-S20 PolarHBondContact O-OG 3.07Å; Y18-S20 VanDerWaalsContact C-N 3.29Å; Y18-S20 PolarHBondContact O-N 2.83Å
21	K	79.9	Confident	77.5	Confident	127 Å²	127	99 Å²	99	55%	0.552	49%	0.485	S	S	*	.	H	α-helix	trans	-76.2	-20	177	-68.8	168	-172.1	172.3	0	113.8	E17 Y18 S23	E17-K21 WeakPolarHBondContact O-CD 3.5Å; E17-K21 WeakPolarHBondContact O-CG 3.24Å; E17-K21 WeakPolarHBondContact OE1-CE 3.44Å; E17-K21 IonicContact OE1-NZ 2.61Å; E17-K21 PolarHBondContact OE1-NZ 3.41Å; Y18-K21 PolarHBondContact O-N 2.81Å; K21-S23 PolarHBondContact O-N 2.91Å
22	L	77.8	Confident	77.3	Confident	17 Å²	17	100.4 Å²	100.4	9%	0.089	49%	0.492	C	S	.	.			trans	-76	85.8	175.9	-64.3	177.1	0	0	0	111.3	Y18 D27 L30 R31 I34	Y18-L22 PolarHBondContact O-N 2.64Å; L22-D27 HydrophobicContact CB-CB 4.44Å; L22-D27 HydrophobicContact CD2-CB 4.18Å; L22-L30 HydrophobicContact CD1-CD2 4.09Å; L22-L30 HydrophobicContact CD1-CG 4Å; L22-L30 HydrophobicContact CD2-CD2 4.24Å; L22-R31 HydrophobicContact CD1-CB 4.27Å; L22-R31 PolarHBondContact O-NH1 3.19Å; L22-I34 HydrophobicContact CD1-CD1 3.49Å; L22-I34 VanDerWaalsContact CD1-CD1 3.49Å
23	S	64.5	Low	77.1	Confident	106 Å²	106	102.1 Å²	102.1	74%	0.741	51%	0.506	S	S	*	.			trans	-105.4	-9.7	-173.5	60.5	0	0	0	0	115.4	K21	K21-S23 PolarHBondContact O-N 2.91Å
24	Q	63.9	Low	77.1	Confident	143 Å²	143	97 Å²	97	67%	0.668	48%	0.483	S	S	*	.	S	Bend	trans	-91.5	154	179.7	-65.8	-169.6	3.5	0	0	112.8	E26	Q24-E26 VanDerWaalsContact C-N 3.27Å; Q24-E26 PolarHBondContact O-N 3.06Å
25	T	59.6	Low	76.9	Confident	135 Å²	135	95.6 Å²	95.6	83%	0.828	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-68	-23.6	-170.3	-25.9	0	0	0	0	114
26	E	58.3	Low	76.7	Confident	181 Å²	181	101.1 Å²	101.1	85%	0.846	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-78.7	-29.7	-173.7	-55.5	-166.8	159.4	0	0	112.3	Q24 R28	Q24-E26 VanDerWaalsContact C-N 3.27Å; Q24-E26 PolarHBondContact O-N 3.06Å; E26-R28 PolarHBondContact O-N 3.46Å
27	D	65.1	Low	76.7	Confident	59 Å²	59	99.7 Å²	99.7	32%	0.316	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-74.3	9.8	-179	-73.5	-49.6	0	0	0	115	L22 Q29 L30 R31	L22-D27 HydrophobicContact CB-CB 4.44Å; L22-D27 HydrophobicContact CD2-CB 4.18Å; D27-Q29 PolarHBondContact O-N 3.08Å; D27-Q29 VanDerWaalsContact O-N 3.12Å; D27-L30 PolarHBondContact O-N 2.95Å; D27-R31 WeakPolarHBondContact O-CB 3.42Å; D27-R31 PolarHBondContact O-N 2.93Å
28	R	71.8	Confident	76.8	Confident	209 Å²	209	96.3 Å²	96.3	79%	0.789	47%	0.473	S	S	*	.	H	α-helix	trans	-58	-32.3	-172.9	-166.8	175.3	-177.8	-176.4	1.7	113.5	E26 S32	E26-R28 PolarHBondContact O-N 3.46Å; R28-S32 WeakPolarHBondContact O-CB 3.36Å; R28-S32 PolarHBondContact O-N 2.89Å
29	Q	74.3	Confident	77	Confident	168 Å²	168	94.9 Å²	94.9	79%	0.785	47%	0.474	S	S	*	.	H	α-helix	trans	-74.5	-39.9	174.5	-70.4	-172.6	-9.9	0	0	112.7	D27 S32 S33	D27-Q29 PolarHBondContact O-N 3.08Å; D27-Q29 VanDerWaalsContact O-N 3.12Å; Q29-S32 PolarHBondContact O-N 2.82Å; Q29-S33 WeakPolarHBondContact O-CB 3.42Å; Q29-S33 PolarHBondContact O-N 2.79Å; Q29-S33 PolarHBondContact O-OG 2.86Å
30	L	80.6	Confident	77.1	Confident	70 Å²	70	95.9 Å²	95.9	37%	0.366	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-46.7	177.6	179.1	58.6	0	0	0	110.5	L22 D27 S32 S33 I34	L22-L30 HydrophobicContact CD1-CD2 4.09Å; L22-L30 HydrophobicContact CD1-CG 4Å; L22-L30 HydrophobicContact CD2-CD2 4.24Å; D27-L30 PolarHBondContact O-N 2.95Å; L30-S32 PolarHBondContact O-N 2.85Å; L30-S33 WeakPolarHBondContact O-CB 3.42Å; L30-S33 PolarHBondContact O-N 3.38Å; L30-I34 HydrophobicContact CD1-CD1 4.06Å; L30-I34 HydrophobicContact CD1-CG1 4.38Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 WeakPolarHBondContact O-CG1 3.29Å; L30-I34 PolarHBondContact O-N 2.6Å
31	R	80.8	Confident	77.3	Confident	98 Å²	98	94.3 Å²	94.3	37%	0.37	47%	0.466	S	S	.	.	H	α-helix	trans	-57.5	-44.3	175.4	-172.6	168.6	174.5	142.7	-1.2	112.3	R19 L22 D27 S33 I34 E35	R19-R31 HydrophobicContact CG-CG 4.25Å; L22-R31 HydrophobicContact CD1-CB 4.27Å; L22-R31 PolarHBondContact O-NH1 3.19Å; D27-R31 WeakPolarHBondContact O-CB 3.42Å; D27-R31 PolarHBondContact O-N 2.93Å; R31-S33 VanDerWaalsContact C-N 3.3Å; R31-S33 PolarHBondContact O-N 2.83Å; R31-I34 PolarHBondContact O-N 3.36Å; R31-E35 VanDerWaalsContact O-CB 3.26Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 PolarHBondContact O-N 2.71Å
32	S	80.1	Confident	77.4	Confident	63 Å²	63	93 Å²	93	44%	0.441	46%	0.462	S	S	.	.	H	α-helix	trans	-66.3	-29.5	175.1	-177.1	0	0	0	0	113.4	R28 Q29 L30 R36	R28-S32 WeakPolarHBondContact O-CB 3.36Å; R28-S32 PolarHBondContact O-N 2.89Å; Q29-S32 PolarHBondContact O-N 2.82Å; L30-S32 PolarHBondContact O-N 2.85Å; S32-R36 PolarHBondContact O-N 2.81Å
33	S	82.9	Confident	77.9	Confident	60 Å²	60	94.1 Å²	94.1	42%	0.42	47%	0.471	S	S	.	.	H	α-helix	trans	-74.4	-44.9	176.7	-57.8	0	0	0	0	111.7	Q29 L30 R31 E35 R36 V37	Q29-S33 WeakPolarHBondContact O-CB 3.42Å; Q29-S33 PolarHBondContact O-N 2.79Å; Q29-S33 PolarHBondContact O-OG 2.86Å; L30-S33 WeakPolarHBondContact O-CB 3.42Å; L30-S33 PolarHBondContact O-N 3.38Å; R31-S33 VanDerWaalsContact C-N 3.3Å; R31-S33 PolarHBondContact O-N 2.83Å; S33-E35 VanDerWaalsContact C-N 3.34Å; S33-E35 PolarHBondContact O-N 2.78Å; S33-R36 WeakPolarHBondContact O-CB 3.47Å; S33-R36 PolarHBondContact O-N 2.88Å; S33-V37 PolarHBondContact O-N 3.25Å
34	I	85.8	Confident	78.5	Confident	15 Å²	15	96.1 Å²	96.1	8%	0.077	47%	0.473	C	S	.	.	H	α-helix	trans	-60.7	-44	174.7	-66.2	156.6	0	0	0	110.8	L15 Y18 R19 L22 L30 R31 R36 V37 I38	L15-I34 HydrophobicContact CB-CG2 4.33Å; L15-I34 HydrophobicContact CD2-CG2 4.29Å; Y18-I34 HydrophobicContact CD1-CD1 3.7Å; Y18-I34 HydrophobicContact CE1-CD1 3.98Å; R19-I34 HydrophobicContact CB-CG2 4.01Å; L22-I34 HydrophobicContact CD1-CD1 3.49Å; L22-I34 VanDerWaalsContact CD1-CD1 3.49Å; L30-I34 HydrophobicContact CD1-CD1 4.06Å; L30-I34 HydrophobicContact CD1-CG1 4.38Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 WeakPolarHBondContact O-CG1 3.29Å; L30-I34 PolarHBondContact O-N 2.6Å; R31-I34 PolarHBondContact O-N 3.36Å; I34-R36 VanDerWaalsContact C-N 3.28Å; I34-R36 PolarHBondContact O-N 2.59Å; I34-V37 WeakPolarHBondContact O-CB 3.23Å; I34-V37 PolarHBondContact O-N 2.82Å; I34-I38 HydrophobicContact CG2-CD1 3.87Å; I34-I38 HydrophobicContact CG2-CG1 4.46Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 3.16Å
35	E	84.6	Confident	79.1	Confident	69 Å²	69	95.5 Å²	95.5	32%	0.322	47%	0.474	S	S	.	.	H	α-helix	trans	-61.4	-34.6	177.1	-172.5	157.7	176.2	0	0	112.8	R19 R31 S33 N39	R19-E35 IonicContact CZ-OE1 3.78Å; R19-E35 IonicContact CZ-OE2 2.76Å; R19-E35 VanDerWaalsContact CZ-OE2 3.22Å; R19-E35 IonicContact NE-OE2 3.97Å; R19-E35 PolarHBondContact NE-OE2 2.86Å; R19-E35 IonicContact NH2-OE1 2.91Å; R19-E35 PolarHBondContact NH2-OE1 2.88Å; R19-E35 IonicContact NH2-OE2 2.93Å; R19-E35 PolarHBondContact NH2-OE2 2.89Å; R31-E35 VanDerWaalsContact O-CB 3.26Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 PolarHBondContact O-N 2.71Å; S33-E35 VanDerWaalsContact C-N 3.34Å; S33-E35 PolarHBondContact O-N 2.78Å; E35-N39 WeakPolarHBondContact O-CB 3.49Å; E35-N39 PolarHBondContact O-N 3.32Å; E35-N39 PolarHBondContact O-OD1 3.18Å
36	R	83.7	Confident	80.3	Confident	161 Å²	161	91.3 Å²	91.3	61%	0.608	45%	0.445	S	S	*	.	H	α-helix	trans	-67.1	-35.4	171.6	-166.8	-178.4	-57.9	155.2	8.6	112.6	S32 S33 I34 I40	S32-R36 PolarHBondContact O-N 2.81Å; S33-R36 WeakPolarHBondContact O-CB 3.47Å; S33-R36 PolarHBondContact O-N 2.88Å; I34-R36 VanDerWaalsContact C-N 3.28Å; I34-R36 PolarHBondContact O-N 2.59Å; R36-I40 WeakPolarHBondContact O-CD1 3.49Å; R36-I40 VanDerWaalsContact O-CG1 3.31Å; R36-I40 WeakPolarHBondContact O-CG1 3.47Å; R36-I40 PolarHBondContact O-N 3.4Å
37	V	86.4	Confident	81.5	Confident	56 Å²	56	86 Å²	86	34%	0.339	42%	0.42	S	S	.	.	H	α-helix	trans	-69.2	-45.4	175.8	178.1	0	0	0	0	110.7	L15 S33 I34 N39 I40 F41	L15-V37 HydrophobicContact CD1-CG1 3.83Å; S33-V37 PolarHBondContact O-N 3.25Å; I34-V37 WeakPolarHBondContact O-CB 3.23Å; I34-V37 PolarHBondContact O-N 2.82Å; V37-N39 VanDerWaalsContact C-N 3.31Å; V37-N39 PolarHBondContact O-N 2.7Å; V37-I40 WeakPolarHBondContact O-CB 3.45Å; V37-I40 PolarHBondContact O-N 2.76Å; V37-F41 HydrophobicContact CG1-CD2 3.89Å; V37-F41 HydrophobicContact CG1-CE2 3.82Å; V37-F41 WeakPolarHBondContact O-CD2 3.44Å; V37-F41 PolarHBondContact O-N 3.14Å
38	I	87.9	Confident	82.1	Confident	6 Å²	6	85.2 Å²	85.2	3%	0.031	42%	0.422	C	S	.	.	H	α-helix	trans	-55.2	-47.9	175.2	-67.9	163.5	0	0	0	110.4	L12 L15 E16 R19 I34 I40 F41 Q42	L12-I38 HydrophobicContact CD2-CB 4.39Å; L12-I38 HydrophobicContact CD2-CG1 4.43Å; L12-I38 HydrophobicContact CD2-CG2 4.01Å; L15-I38 HydrophobicContact CB-CD1 4.19Å; L15-I38 HydrophobicContact CB-CG1 3.93Å; E16-I38 HydrophobicContact CG-CD1 3.83Å; E16-I38 HydrophobicContact CG-CG1 4.39Å; E16-I38 HydrophobicContact CG-CG2 4.5Å; R19-I38 HydrophobicContact CB-CD1 4.46Å; I34-I38 HydrophobicContact CG2-CD1 3.87Å; I34-I38 HydrophobicContact CG2-CG1 4.46Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 3.16Å; I38-I40 PolarHBondContact O-N 2.7Å; I38-F41 PolarHBondContact O-N 2.98Å; I38-Q42 HydrophobicContact CG2-CG 4.32Å; I38-Q42 WeakPolarHBondContact O-CB 3.31Å; I38-Q42 WeakPolarHBondContact O-CG 3.49Å; I38-Q42 PolarHBondContact O-N 2.75Å
39	N	85	Confident	82.6	Confident	96 Å²	96	80 Å²	80	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-22.8	178.3	-67.2	-3.1	0	0	0	114.2	E35 V37 S43	E35-N39 WeakPolarHBondContact O-CB 3.49Å; E35-N39 PolarHBondContact O-N 3.32Å; E35-N39 PolarHBondContact O-OD1 3.18Å; V37-N39 VanDerWaalsContact C-N 3.31Å; V37-N39 PolarHBondContact O-N 2.7Å; N39-S43 PolarHBondContact O-N 2.71Å
40	I	86.6	Confident	83	Confident	92 Å²	92	72.4 Å²	72.4	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-76.6	-47.9	173	-70.9	162.4	0	0	0	109.8	R36 V37 I38 Q42 S43 F46	R36-I40 WeakPolarHBondContact O-CD1 3.49Å; R36-I40 VanDerWaalsContact O-CG1 3.31Å; R36-I40 WeakPolarHBondContact O-CG1 3.47Å; R36-I40 PolarHBondContact O-N 3.4Å; V37-I40 WeakPolarHBondContact O-CB 3.45Å; V37-I40 PolarHBondContact O-N 2.76Å; I38-I40 PolarHBondContact O-N 2.7Å; I40-Q42 VanDerWaalsContact C-N 3.28Å; I40-Q42 PolarHBondContact O-N 2.76Å; I40-S43 VanDerWaalsContact O-CB 3.3Å; I40-S43 WeakPolarHBondContact O-CB 3.44Å; I40-S43 PolarHBondContact O-N 3.25Å; I40-S43 VanDerWaalsContact O-N 3.08Å; I40-S43 PolarHBondContact O-OG 2.69Å; I40-F46 VanDerWaalsContact O-CB 3.23Å; I40-F46 WeakPolarHBondContact O-CB 3.49Å
41	F	84.4	Confident	82.9	Confident	49 Å²	49	72 Å²	72	22%	0.215	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-33.2	177.8	-86	-114.2	0	0	0	112.5	T8 A11 L12 V37 I38 S43 F46	T8-F41 HydrophobicContact CG2-CD1 3.72Å; T8-F41 HydrophobicContact CG2-CE1 4.11Å; A11-F41 HydrophobicContact CB-CE1 4.33Å; L12-F41 HydrophobicContact CD1-CB 4.08Å; L12-F41 HydrophobicContact CD2-CB 3.61Å; L12-F41 HydrophobicContact CD2-CG 4.4Å; L12-F41 HydrophobicContact CG-CB 3.82Å; L12-F41 HydrophobicContact CG-CD1 4.17Å; L12-F41 HydrophobicContact CG-CG 4.36Å; V37-F41 HydrophobicContact CG1-CD2 3.89Å; V37-F41 HydrophobicContact CG1-CE2 3.82Å; V37-F41 WeakPolarHBondContact O-CD2 3.44Å; V37-F41 PolarHBondContact O-N 3.14Å; I38-F41 PolarHBondContact O-N 2.98Å; F41-S43 VanDerWaalsContact C-N 3.32Å; F41-F46 HydrophobicContact CD1-CE1 4.14Å; F41-F46 HydrophobicContact CD1-CZ 4.38Å; F41-F46 HydrophobicContact CE1-CE1 4.48Å; F41-F46 HydrophobicContact CE1-CZ 4.35Å; F41-F46 HydrophobicContact CG-CE1 4.45Å
42	Q	80.6	Confident	82.9	Confident	101 Å²	101	72 Å²	72	47%	0.472	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2.8	175.1	-68.3	175.5	-6.1	0	0	113.7	L12 E16 I38 I40	L12-Q42 HydrophobicContact CD1-CG 4.25Å; L12-Q42 HydrophobicContact CD2-CG 4.03Å; E16-Q42 PolarHBondContact OE1-NE2 2.74Å; I38-Q42 HydrophobicContact CG2-CG 4.32Å; I38-Q42 WeakPolarHBondContact O-CB 3.31Å; I38-Q42 WeakPolarHBondContact O-CG 3.49Å; I38-Q42 PolarHBondContact O-N 2.75Å; I40-Q42 VanDerWaalsContact C-N 3.28Å; I40-Q42 PolarHBondContact O-N 2.76Å
43	S	88.5	Confident	82.7	Confident	40 Å²	40	71.6 Å²	71.6	28%	0.28	37%	0.369	S	S	.	.	S	Bend	trans	-77.5	142.1	-178.5	72.8	0	0	0	0	112.5	N39 I40 F41 L45 F46 Q47	N39-S43 PolarHBondContact O-N 2.71Å; I40-S43 VanDerWaalsContact O-CB 3.3Å; I40-S43 WeakPolarHBondContact O-CB 3.44Å; I40-S43 PolarHBondContact O-N 3.25Å; I40-S43 VanDerWaalsContact O-N 3.08Å; I40-S43 PolarHBondContact O-OG 2.69Å; F41-S43 VanDerWaalsContact C-N 3.32Å; S43-L45 PolarHBondContact O-N 2.79Å; S43-L45 VanDerWaalsContact O-N 3.1Å; S43-F46 PolarHBondContact O-N 2.76Å; S43-F46 WeakPolarHBondContact OG-CB 3.5Å; S43-F46 PolarHBondContact OG-N 3.42Å; S43-Q47 PolarHBondContact O-N 2.84Å
44	N	78.1	Confident	82.4	Confident	147 Å²	147	73 Å²	73	79%	0.786	37%	0.369	S	S	*	.	H	α-helix	trans	-53.4	-34.7	178.4	-60.1	9.7	0	0	0	112.7	A48	N44-A48 VanDerWaalsContact O-CB 3.29Å; N44-A48 WeakPolarHBondContact O-CB 3.36Å; N44-A48 PolarHBondContact O-N 3.08Å
45	L	77.1	Confident	81.7	Confident	130 Å²	130	79 Å²	79	68%	0.681	40%	0.395	S	S	*	.	H	α-helix	trans	-66.8	-42.9	176.3	178.5	61.9	0	0	0	112	S43 L49	S43-L45 PolarHBondContact O-N 2.79Å; S43-L45 VanDerWaalsContact O-N 3.1Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.86Å; L45-L49 VanDerWaalsContact O-N 3.13Å
46	F	84.9	Confident	81	Confident	48 Å²	48	82.9 Å²	82.9	21%	0.211	41%	0.407	C	S	.	.	H	α-helix	trans	-69.1	-41.2	178.1	-166.5	-87.6	0	0	0	111.3	T8 I40 F41 S43 L49 I50	T8-F46 HydrophobicContact CG2-CE1 3.73Å; I40-F46 VanDerWaalsContact O-CB 3.23Å; I40-F46 WeakPolarHBondContact O-CB 3.49Å; F41-F46 HydrophobicContact CD1-CE1 4.14Å; F41-F46 HydrophobicContact CD1-CZ 4.38Å; F41-F46 HydrophobicContact CE1-CE1 4.48Å; F41-F46 HydrophobicContact CE1-CZ 4.35Å; F41-F46 HydrophobicContact CG-CE1 4.45Å; S43-F46 PolarHBondContact O-N 2.76Å; S43-F46 WeakPolarHBondContact OG-CB 3.5Å; S43-F46 PolarHBondContact OG-N 3.42Å; F46-L49 PolarHBondContact O-N 2.81Å; F46-I50 HydrophobicContact CD1-CG1 4.11Å; F46-I50 HydrophobicContact CE1-CD1 4.06Å; F46-I50 HydrophobicContact CE1-CG1 3.82Å; F46-I50 HydrophobicContact CZ-CD1 4.46Å; F46-I50 WeakPolarHBondContact O-CG1 3.45Å; F46-I50 PolarHBondContact O-N 2.87Å; F46-I50 VanDerWaalsContact O-N 3.11Å
47	Q	81.6	Confident	80.3	Confident	69 Å²	69	78.2 Å²	78.2	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-44.7	175.9	-172.3	52.6	56.5	0	0	111.6	S43 L49 I50 D51	S43-Q47 PolarHBondContact O-N 2.84Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.41Å; Q47-I50 PolarHBondContact O-N 3.26Å; Q47-I50 VanDerWaalsContact O-N 3.12Å; Q47-D51 VanDerWaalsContact NE2-CG 3.29Å; Q47-D51 PolarHBondContact NE2-OD1 3.14Å; Q47-D51 PolarHBondContact NE2-OD2 3.46Å; Q47-D51 VanDerWaalsContact NE2-OD2 3.16Å; Q47-D51 VanDerWaalsContact O-CG 3.23Å; Q47-D51 PolarHBondContact O-N 2.83Å
48	A	77.7	Confident	79.3	Confident	43 Å²	43	79.8 Å²	79.8	36%	0.355	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-36.4	175.2	0	0	0	0	0	113	N44 D51 I52	N44-A48 VanDerWaalsContact O-CB 3.29Å; N44-A48 WeakPolarHBondContact O-CB 3.36Å; N44-A48 PolarHBondContact O-N 3.08Å; A48-D51 PolarHBondContact O-N 2.8Å; A48-I52 WeakPolarHBondContact O-CB 3.37Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 WeakPolarHBondContact O-CG1 3.32Å; A48-I52 PolarHBondContact O-N 2.94Å
49	L	82.3	Confident	78.1	Confident	100 Å²	100	83 Å²	83	52%	0.524	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-39.2	174.7	-72.3	167.4	0	0	0	112.4	L45 F46 Q47 Q53	L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.86Å; L45-L49 VanDerWaalsContact O-N 3.13Å; F46-L49 PolarHBondContact O-N 2.81Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.41Å; L49-Q53 PolarHBondContact O-N 2.84Å
50	I	84.1	Confident	76.8	Confident	8 Å²	8	85 Å²	85	4%	0.041	43%	0.432	C	S	.	.	H	α-helix	trans	-65.6	-41.8	174	-65.8	-67.2	0	0	0	110.9	V3 K5 F46 Q47 Q53 E54	V3-I50 HydrophobicContact CG1-CD1 4.04Å; K5-I50 HydrophobicContact CB-CG2 3.72Å; K5-I50 HydrophobicContact CD-CG2 3.91Å; K5-I50 HydrophobicContact CG-CG2 3.71Å; F46-I50 HydrophobicContact CD1-CG1 4.11Å; F46-I50 HydrophobicContact CE1-CD1 4.06Å; F46-I50 HydrophobicContact CE1-CG1 3.82Å; F46-I50 HydrophobicContact CZ-CD1 4.46Å; F46-I50 WeakPolarHBondContact O-CG1 3.45Å; F46-I50 PolarHBondContact O-N 2.87Å; F46-I50 VanDerWaalsContact O-N 3.11Å; Q47-I50 PolarHBondContact O-N 3.26Å; Q47-I50 VanDerWaalsContact O-N 3.12Å; I50-Q53 PolarHBondContact O-N 2.92Å; I50-E54 WeakPolarHBondContact O-CB 3.41Å; I50-E54 PolarHBondContact O-N 3.43Å
51	D	78.6	Confident	75.1	Confident	62 Å²	62	87.6 Å²	87.6	33%	0.332	45%	0.446	S	S	.	.	H	α-helix	trans	-69.5	-35.2	179.9	-62.2	-30.5	0	0	0	112.1	K5 Q47 A48 E54 F55	K5-D51 WeakPolarHBondContact CE-OD1 3.11Å; K5-D51 IonicContact NZ-OD1 3.22Å; K5-D51 PolarHBondContact NZ-OD1 3.01Å; Q47-D51 VanDerWaalsContact NE2-CG 3.29Å; Q47-D51 PolarHBondContact NE2-OD1 3.14Å; Q47-D51 PolarHBondContact NE2-OD2 3.46Å; Q47-D51 VanDerWaalsContact NE2-OD2 3.16Å; Q47-D51 VanDerWaalsContact O-CG 3.23Å; Q47-D51 PolarHBondContact O-N 2.83Å; A48-D51 PolarHBondContact O-N 2.8Å; D51-E54 PolarHBondContact O-N 3.35Å; D51-F55 WeakPolarHBondContact O-CB 3.35Å; D51-F55 PolarHBondContact O-N 3.45Å
52	I	80.8	Confident	73.3	Confident	96 Å²	96	91.6 Å²	91.6	49%	0.492	47%	0.47	S	S	.	.	H	α-helix	trans	-65.1	-42.2	170.2	-71.1	164.1	0	0	0	110.9	A48 F55 Y56	A48-I52 WeakPolarHBondContact O-CB 3.37Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 WeakPolarHBondContact O-CG1 3.32Å; A48-I52 PolarHBondContact O-N 2.94Å; I52-F55 PolarHBondContact O-N 2.81Å; I52-Y56 HydrophobicContact CG2-CD2 3.98Å; I52-Y56 HydrophobicContact CG2-CE2 4.19Å; I52-Y56 WeakPolarHBondContact O-CD2 3.32Å; I52-Y56 PolarHBondContact O-N 2.99Å
53	Q	75.7	Confident	71.2	Confident	55 Å²	55	93.6 Å²	93.6	26%	0.257	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.6	-166.9	-165.8	-63.6	0	0	111.5	V3 L49 I50 Y56 E57	V3-Q53 PolarHBondContact O-NE2 2.89Å; V3-Q53 PolarHBondContact O-OE1 3.38Å; L49-Q53 PolarHBondContact O-N 2.84Å; I50-Q53 PolarHBondContact O-N 2.92Å; Q53-Y56 PolarHBondContact O-N 3.07Å; Q53-E57 PolarHBondContact NE2-OE1 2.86Å; Q53-E57 PolarHBondContact O-N 3.03Å
54	E	75.8	Confident	68.8	Low	89 Å²	89	97.4 Å²	97.4	42%	0.416	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-40.8	176.3	-168.7	164.5	-117	0	0	111.3	K5 I50 D51 E57 V58	K5-E54 WeakPolarHBondContact CD-OE1 3.06Å; K5-E54 VanDerWaalsContact CD-OE2 3.24Å; K5-E54 WeakPolarHBondContact CD-OE2 3.41Å; K5-E54 IonicContact NZ-OE2 3.27Å; K5-E54 PolarHBondContact NZ-OE2 2.98Å; I50-E54 WeakPolarHBondContact O-CB 3.41Å; I50-E54 PolarHBondContact O-N 3.43Å; D51-E54 PolarHBondContact O-N 3.35Å; E54-E57 PolarHBondContact O-N 3.42Å; E54-V58 WeakPolarHBondContact O-CG2 3.37Å; E54-V58 PolarHBondContact O-N 2.86Å
55	F	72.1	Confident	66.8	Low	141 Å²	141	99.9 Å²	99.9	62%	0.618	51%	0.511	S	S	*	.	H	α-helix	trans	-62.4	-40.2	171.9	-177.1	-98.6	0	0	0	112.9	D51 I52 T59	D51-F55 WeakPolarHBondContact O-CB 3.35Å; D51-F55 PolarHBondContact O-N 3.45Å; I52-F55 PolarHBondContact O-N 2.81Å; F55-T59 VanDerWaalsContact O-CB 3.25Å; F55-T59 WeakPolarHBondContact O-CB 3.32Å; F55-T59 PolarHBondContact O-N 3.16Å; F55-T59 PolarHBondContact O-OG1 3.32Å
56	Y	69.6	Low	64.3	Low	151 Å²	151	100 Å²	100	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-43	174.5	-99.2	-84.8	0	0	0	112.7	I52 Q53 V58 L60	I52-Y56 HydrophobicContact CG2-CD2 3.98Å; I52-Y56 HydrophobicContact CG2-CE2 4.19Å; I52-Y56 WeakPolarHBondContact O-CD2 3.32Å; I52-Y56 PolarHBondContact O-N 2.99Å; Q53-Y56 PolarHBondContact O-N 3.07Å; Y56-V58 VanDerWaalsContact C-N 3.35Å; Y56-V58 PolarHBondContact O-N 2.81Å; Y56-L60 HydrophobicContact CD1-CD1 4.1Å; Y56-L60 WeakPolarHBondContact O-CB 3.49Å; Y56-L60 PolarHBondContact O-N 3.42Å
57	E	67.9	Low	61.7	Low	64 Å²	64	103.2 Å²	103.2	30%	0.299	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-37.8	177.1	-77.1	-176.4	-129.3	0	0	111.5	R4 Q53 E54 L61	R4-E57 IonicContact NE-OE2 2.66Å; R4-E57 IonicContact NH2-OE2 2.89Å; Q53-E57 PolarHBondContact NE2-OE1 2.86Å; Q53-E57 PolarHBondContact O-N 3.03Å; E54-E57 PolarHBondContact O-N 3.42Å; E57-L61 WeakPolarHBondContact O-CD1 3.42Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å
58	V	65.3	Low	59.1	Low	89 Å²	89	107.5 Å²	107.5	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-70.7	-49.6	174.7	172	0	0	0	0	112	E54 Y56 L60 L61 D62	E54-V58 WeakPolarHBondContact O-CG2 3.37Å; E54-V58 PolarHBondContact O-N 2.86Å; Y56-V58 VanDerWaalsContact C-N 3.35Å; Y56-V58 PolarHBondContact O-N 2.81Å; V58-L60 VanDerWaalsContact C-N 3.27Å; V58-L60 PolarHBondContact O-N 3.19Å; V58-L61 PolarHBondContact O-N 3.21Å; V58-D62 PolarHBondContact O-N 2.9Å
59	T	63.6	Low	56.8	Low	72 Å²	72	114.5 Å²	114.5	44%	0.442	60%	0.595	S	S	.	*	H	α-helix	trans	-68.2	-23.8	-172.3	-53.9	0	0	0	0	113.3	F55	F55-T59 VanDerWaalsContact O-CB 3.25Å; F55-T59 WeakPolarHBondContact O-CB 3.32Å; F55-T59 PolarHBondContact O-N 3.16Å; F55-T59 PolarHBondContact O-OG1 3.32Å
60	L	56.7	Low	54.2	Low	138 Å²	138	115 Å²	115	72%	0.723	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-11.8	177.8	-73.2	170.6	0	0	0	114.6	Y56 V58	Y56-L60 HydrophobicContact CD1-CD1 4.1Å; Y56-L60 WeakPolarHBondContact O-CB 3.49Å; Y56-L60 PolarHBondContact O-N 3.42Å; V58-L60 VanDerWaalsContact C-N 3.27Å; V58-L60 PolarHBondContact O-N 3.19Å
61	L	52.7	Low	51.6	Low	148 Å²	148	124.4 Å²	124.4	78%	0.775	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-31.9	178.5	-72.9	173.9	0	0	0	113	E57 V58 N63	E57-L61 WeakPolarHBondContact O-CD1 3.42Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å; V58-L61 PolarHBondContact O-N 3.21Å; L61-N63 PolarHBondContact O-N 2.86Å
62	D	46.7	Very low	49.1	Very low	133 Å²	133	130.5 Å²	130.5	71%	0.711	67%	0.674	S	S	*	*			trans	-96.8	85.8	175	-90.4	-36.5	0	0	0	112.5	V58	V58-D62 PolarHBondContact O-N 2.9Å
63	N	34.6	Very low	46.5	Very low	143 Å²	143	131.3 Å²	131.3	77%	0.765	69%	0.688	S	S	*	*			trans	-155.5	112.9	149.8	-115.2	-72.5	0	0	0	112.3	L61	L61-N63 PolarHBondContact O-N 2.86Å
64	P	39.6	Very low	44.1	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-74	141.9	176.6	30.5	-33.8	0	0	0	111.7	C66	P64-C66 PolarHBondContact O-N 3.19Å
65	K	35.2	Very low	42.2	Very low	200 Å²	200	137.4 Å²	137.4	87%	0.87	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-63.8	123.3	-175.4	-60.8	174.4	-177.6	176.7	0	112.2
66	C	25.2	Very low	39.9	Very low	132 Å²	132	137 Å²	137	89%	0.892	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-85.7	148.8	157.8	-159.4	0	0	0	0	109.5	P64	P64-C66 PolarHBondContact O-N 3.19Å
67	V	30.5	Very low	38.7	Very low	116 Å²	116	135.1 Å²	135.1	70%	0.703	74%	0.736	S	S	*	*			trans	-128.5	146.1	-169.1	176.5	0	0	0	0	110.7
68	D	26.7	Very low	37.5	Very low	158 Å²	158	137 Å²	137	85%	0.845	75%	0.753	S	S	*	*			trans	-52.8	150.7	-179.2	-91.1	-58	0	0	0	115.7
69	H	29.2	Very low	35.5	Very low	191 Å²	191	138.6 Å²	138.6	88%	0.884	76%	0.763	S	S	*	*			trans	-117.8	98.9	175.7	-86.7	-29.2	0	0	0	112.8
70	S	28.6	Very low	33.9	Very low	111 Å²	111	141.6 Å²	141.6	78%	0.776	78%	0.776	S	S	*	*			trans	-151.3	86.5	158.9	61.3	0	0	0	0	114.5
71	K	28.3	Very low	32.4	Very low	205 Å²	205	139.8 Å²	139.8	89%	0.891	77%	0.771	S	S	*	*			trans	41.8	119.7	147.7	-60.3	176.6	178.7	176.4	0	120.5
72	Q	25.9	Very low	31.4	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.883	77%	0.774	S	S	*	*				-170.3	138.4	111.3	-105.7	176.5	7.4	0	0	114.6
73	S	26.5	Very low	30.4	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	77%	0.772	S	S	*	*			trans	48.1	133.5	154.6	49.6	0	0	0	0	124.6
74	E	25.9	Very low	30	Very low	159 Å²	159	143.5 Å²	143.5	74%	0.743	77%	0.769	S	S	*	*			trans	-69.2	177.7	163	-73.4	-173.5	119.1	0	0	114
75	P	35.3	Very low	29.3	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	77%	0.765	S	S	*	*			cis	-142.1	148.8	17.4	38.9	-17.7	0	0	0	120.9
76	I	24.7	Very low	28.9	Very low	133 Å²	133	138.1 Å²	138.1	68%	0.682	76%	0.764	S	S	*	*				25.4	143.6	116.5	-59.3	176.4	0	0	0	118.6
77	P	44.3	Very low	29	Very low	111 Å²	111	139.8 Å²	139.8	72%	0.721	76%	0.764	S	S	*	*			cis	-134.1	-139.8	-12.8	41.4	-19.2	0	0	0	111.7
78	P	42.2	Very low	29.6	Very low	103 Å²	103	139.9 Å²	139.9	67%	0.669	77%	0.767	S	S	*	*			cis	-140.1	168	-18.1	38.4	-19	0	0	0	119.2
79	V	24.3	Very low	29.5	Very low	122 Å²	122	137.3 Å²	137.3	74%	0.739	76%	0.761	S	S	*	*			trans	65.1	133.5	141.8	163.3	0	0	0	0	118.9
80	N	28.1	Very low	29.4	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	75%	0.754	S	S	*	*			cis	-139.6	141.8	43.8	-83.3	-69.6	0	0	0	110.7
81	T	26.4	Very low	29.3	Very low	100 Å²	100	134.3 Å²	134.3	61%	0.613	75%	0.752	S	S	*	*				50.6	131.4	81.3	62.4	0	0	0	0	115.4
82	W	31.1	Very low	29.2	Very low	223 Å²	223	130.4 Å²	130.4	85%	0.845	75%	0.745	S	S	*	*			cis	-146.7	-166.5	8.3	-107.2	-12.5	0	0	0	109.7
83	E	25.9	Very low	29.3	Very low	141 Å²	141	127.5 Å²	127.5	66%	0.659	74%	0.74	S	S	*	*			cis	-158.3	-165.6	17.4	-141.8	161.8	-75	0	0	112.7
84	I	26.3	Very low	29.3	Very low	137 Å²	137	127 Å²	127	70%	0.703	74%	0.736	S	S	*	*			trans	10.9	113.1	162.6	-66.7	150.7	0	0	0	118.3
85	A	25.4	Very low	29.3	Very low	83 Å²	83	127.6 Å²	127.6	69%	0.686	74%	0.739	S	S	*	*				73.7	122.6	54.1	0	0	0	0	0	114.9
86	S	25.8	Very low	28.9	Very low	123 Å²	123	128.2 Å²	128.2	86%	0.86	74%	0.741	S	S	*	*				-164.6	166.7	66.4	-61.6	0	0	0	0	114.5
87	L	28.4	Very low	29.1	Very low	168 Å²	168	129.2 Å²	129.2	88%	0.88	75%	0.747	S	S	*	*			trans	-98.8	-171.1	176.4	-64.5	161.6	0	0	0	110.7
88	P	41.7	Very low	28.9	Very low	118 Å²	118	129.1 Å²	129.1	77%	0.766	75%	0.746	S	S	*	*			cis	-135.7	-166.9	-4.2	30	-4.4	0	0	0	116
89	S	25.2	Very low	28.1	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	75%	0.749	S	S	*	*			trans	-43.1	176.2	166.6	-42.5	0	0	0	0	117.2
90	T	27.1	Very low	28.1	Very low	120 Å²	120	128.3 Å²	128.3	74%	0.736	75%	0.749	S	S	*	*			cis	-172.6	160.1	38.5	-22.8	0	0	0	0	114.5
91	T	26.2	Very low	28	Very low	119 Å²	119	130 Å²	130	73%	0.73	76%	0.757	S	S	*	*			trans	51.5	115.8	149.7	43.6	0	0	0	0	125.2
92	V	26.9	Very low	28.3	Very low	124 Å²	124	130.3 Å²	130.3	75%	0.752	76%	0.763	S	S	*	*				40.3	121.7	125.1	-164.4	0	0	0	0	122
93	T	27.6	Very low	28.4	Very low	128 Å²	128	125.5 Å²	125.5	79%	0.785	76%	0.76	S	S	*	*				175.2	145.6	116.3	31.9	0	0	0	0	115.8
94	S	26.4	Very low	29.5	Very low	102 Å²	102	124.1 Å²	124.1	71%	0.713	76%	0.764	S	S	*	*			trans	59.4	119.4	142.1	-57.1	0	0	0	0	126.6
95	E	26	Very low	29.4	Very low	172 Å²	172	123.5 Å²	123.5	80%	0.804	77%	0.766	S	S	*	*				77.8	114.7	123.2	-70.3	-164.5	-154.1	0	0	126.3
96	T	26.6	Very low	29.4	Very low	126 Å²	126	128.4 Å²	128.4	77%	0.773	78%	0.775	S	S	*	*				89.8	138.1	121.8	-53.3	0	0	0	0	122.5
97	L	29	Very low	29.4	Very low	155 Å²	155	131.4 Å²	131.4	81%	0.812	77%	0.772	S	S	*	*			trans	-68.7	176.2	179.5	-78.2	165	0	0	0	113.9
98	P	40.5	Very low	29.1	Very low	108 Å²	108	135 Å²	135	70%	0.701	78%	0.776	S	S	*	*			cis	-157.6	-173.6	33.6	46.6	-24.1	0	0	0	121.3
99	S	25.1	Very low	28.3	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	77%	0.772	S	S	*	*			trans	83.1	116	140.5	-72.1	0	0	0	0	124.5
100	S	24.4	Very low	28.2	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	78%	0.778	S	S	*	*				119.7	133.9	111.6	72.3	0	0	0	0	122.8
101	L	25.5	Very low	28.3	Very low	172 Å²	172	142.3 Å²	142.3	90%	0.901	77%	0.765	S	S	*	*			trans	77.4	152.1	144.5	-71.5	163.3	0	0	0	123.3
102	S	32.4	Very low	28.5	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	76%	0.76	S	S	*	*			trans	-150	163.2	-173.8	59.8	0	0	0	0	112
103	P	34.6	Very low	28.7	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	76%	0.759	S	S	*	*			trans	-151.4	-169.6	148.3	40.7	-21.8	0	0	0	114
104	P	48.2	Very low	28.8	Very low	113 Å²	113	145.9 Å²	145.9	73%	0.734	76%	0.76	S	S	*	*				-138.1	-146.7	-68.1	43.9	-25.1	0	0	0	113.7
105	V	24.8	Very low	29	Very low	124 Å²	124	147 Å²	147	75%	0.752	76%	0.762	S	S	*	*			trans	92.3	128.1	168.3	-174.7	0	0	0	0	115.9
106	E	25.4	Very low	29.8	Very low	185 Å²	185	144 Å²	144	86%	0.864	76%	0.758	S	S	*	*			cis	-146.9	-165.4	-9.1	-129.8	175.6	-171.5	0	0	113.8
107	K	24.6	Very low	30.5	Very low	186 Å²	186	143.3 Å²	143.3	81%	0.809	76%	0.755	S	S	*	*			trans	-125.1	164.7	-163	-59.5	168.4	178.1	166.5	0	114.8
108	Y	24	Very low	31.2	Very low	244 Å²	244	141 Å²	141	96%	0.957	75%	0.749	S	S	*	*				-155.3	172.5	122	-103.4	-70.1	0	0	0	111.4
109	R	24.3	Very low	30.4	Very low	179 Å²	179	143.7 Å²	143.7	68%	0.675	75%	0.752	S	S	*	*			trans	-155.1	144	-154.2	160.4	-174.5	174.8	158.4	1.8	113.9	Q111	R109-Q111 VanDerWaalsContact NH2-CD 3.29Å
110	Y	23.6	Very low	30.4	Very low	219 Å²	219	146.3 Å²	146.3	86%	0.859	75%	0.753	S	S	*	*			trans	-172.5	135.6	141.5	-92.9	-77.5	0	0	0	106.1
111	Q	27.9	Very low	30.4	Very low	97 Å²	97	148.6 Å²	148.6	45%	0.453	76%	0.755	S	S	.	*			cis	76.9	138.3	39.8	-71.2	-163.9	-85.2	0	0	114.3	R109	R109-Q111 VanDerWaalsContact NH2-CD 3.29Å
112	D	30.3	Very low	30.5	Very low	116 Å²	116	145.8 Å²	145.8	62%	0.62	75%	0.75	S	S	*	*			cis	-161	160	11.3	-108.9	-10.9	0	0	0	113.7
113	E	31.8	Very low	30.4	Very low	156 Å²	156	146.3 Å²	146.3	73%	0.729	75%	0.751	S	S	*	*			trans	54	169.2	145.5	-53.5	-72.2	69.8	0	0	120.9
114	E	29.4	Very low	30.6	Very low	174 Å²	174	145.8 Å²	145.8	81%	0.813	75%	0.748	S	S	*	*			cis	-147.6	-168.3	1.2	-144.3	177.5	152.7	0	0	112.2
115	V	31.4	Very low	29.9	Very low	125 Å²	125	146.8 Å²	146.8	76%	0.758	75%	0.751	S	S	*	*			trans	-103.9	-140.1	-148.1	-151.4	0	0	0	0	117.5
116	P	41.8	Very low	29.7	Very low	110 Å²	110	147.6 Å²	147.6	71%	0.714	76%	0.757	S	S	*	*			trans	-122.8	-144.3	-143.1	47.6	-27.2	0	0	0	113.2
117	P	42	Very low	30	Very low	111 Å²	111	146.2 Å²	146.2	72%	0.721	76%	0.755	S	S	*	*			cis	-130.5	-148.5	-21.9	38.2	-16.4	0	0	0	111.6
118	P	43.8	Very low	29.9	Very low	106 Å²	106	146 Å²	146	69%	0.688	76%	0.757	S	S	*	*				-121.9	-178.1	-57.1	30.8	-11.7	0	0	0	115.1
119	E	23.8	Very low	30.1	Very low	164 Å²	164	139.8 Å²	139.8	77%	0.766	75%	0.745	S	S	*	*			trans	99.1	126.9	141.2	-103.5	176.8	-136.3	0	0	123.6
120	H	24.9	Very low	30.1	Very low	159 Å²	159	139.5 Å²	139.5	74%	0.736	76%	0.756	S	S	*	*			trans	77.4	132.7	155.1	-81.8	-67.4	0	0	0	123.9
121	I	23.8	Very low	30.6	Very low	153 Å²	153	132.1 Å²	132.1	79%	0.785	75%	0.746	S	S	*	*			trans	80.6	113.3	165.2	-56.5	161.2	0	0	0	116.8
122	S	28.5	Very low	30.4	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	76%	0.761	S	S	*	*			trans	-75.5	138.8	171.1	-44.3	0	0	0	0	112.1
123	P	29.7	Very low	30	Very low	116 Å²	116	136.4 Å²	136.4	75%	0.753	77%	0.772	S	S	*	*				-137.1	-146.4	129.2	45.6	-32.2	0	0	0	110.2
124	P	38.1	Very low	29.7	Very low	110 Å²	110	136.4 Å²	136.4	71%	0.714	78%	0.777	S	S	*	*				-137.1	-177.8	-126.1	40.4	-16.5	0	0	0	117.4
125	V	34	Very low	29.3	Very low	134 Å²	134	134.6 Å²	134.6	81%	0.812	78%	0.777	S	S	*	*			trans	56.6	117.7	163.3	-169	0	0	0	0	119
126	T	21.9	Very low	29.3	Very low	141 Å²	141	135.4 Å²	135.4	87%	0.865	77%	0.772	S	S	*	*			trans	-142.3	158.2	148.3	38.8	0	0	0	0	111.6
127	N	30.7	Very low	28.4	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	77%	0.772	S	S	*	*			trans	-102.1	-176.1	174	-106.8	-12	0	0	0	110.4
128	E	23.4	Very low	27.7	Very low	182 Å²	182	135.2 Å²	135.2	85%	0.85	77%	0.771	S	S	*	*			trans	85	144.1	165.1	-64.3	-160	177.1	0	0	117.6
129	V	27.5	Very low	27.1	Very low	114 Å²	114	137.7 Å²	137.7	69%	0.691	77%	0.774	S	S	*	*			cis	-168.1	173.4	-24.9	114.7	0	0	0	0	107.6
130	L	23.8	Very low	27.5	Very low	173 Å²	173	138.8 Å²	138.8	91%	0.906	78%	0.776	S	S	*	*			trans	69.5	154.8	175	-78.3	158.1	0	0	0	116.6
131	G	33.6	Very low	27.8	Very low	64 Å²	64	138.6 Å²	138.6	66%	0.66	78%	0.78	S	S	*	*			trans	-159	-179.5	178.9	0	0	0	0	0	111.6
132	P	25.1	Very low	28.3	Very low	119 Å²	119	136.8 Å²	136.8	77%	0.773	77%	0.772	S	S	*	*			trans	-110.5	138.1	-171.7	37.1	-28.2	0	0	0	115.3
133	E	21.9	Very low	28.4	Very low	183 Å²	183	136.4 Å²	136.4	86%	0.855	77%	0.769	S	S	*	*				56.5	134.2	125.9	-152.5	162.1	-173.9	0	0	121.9
134	L	24.3	Very low	28.6	Very low	157 Å²	157	139 Å²	139	82%	0.822	77%	0.771	S	S	*	*			trans	-77.7	140.5	173.4	-88.5	70.1	0	0	0	111.6
135	V	22.6	Very low	28.7	Very low	135 Å²	135	136.1 Å²	136.1	82%	0.818	75%	0.749	S	S	*	*			trans	-118	123.2	158.7	-171.4	0	0	0	0	108.2	V137	V135-V137 HydrophobicContact CG1-CG2 4.39Å
136	H	29.8	Very low	28.7	Very low	142 Å²	142	137.4 Å²	137.4	66%	0.657	75%	0.746	S	S	*	*			trans	-105.6	116.5	-167.5	-170.2	94.7	0	0	0	111
137	V	23.2	Very low	29.4	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.715	74%	0.743	S	S	*	*			trans	-137.5	100.1	-175.6	-172.8	0	0	0	0	112.3	V135	V135-V137 HydrophobicContact CG1-CG2 4.39Å
138	S	27.7	Very low	30	Very low	99 Å²	99	131.9 Å²	131.9	69%	0.692	71%	0.712	S	S	*	*			trans	47.6	83	159.7	63.7	0	0	0	0	119.4	K140	S138-K140 PolarHBondContact O-N 3.42Å
139	E	30.6	Very low	30.7	Very low	159 Å²	159	129 Å²	129	74%	0.743	70%	0.699	S	S	*	*			trans	-74.3	78.1	166.8	-62.4	175.3	152.5	0	0	112.4
140	K	32.6	Very low	31.1	Very low	186 Å²	186	124.8 Å²	124.8	81%	0.809	68%	0.679	S	S	*	*			trans	-141.3	63.3	176.3	-69.6	-167.4	176.7	-177.8	0	114.3	S138	S138-K140 PolarHBondContact O-N 3.42Å
141	N	30.6	Very low	31.3	Very low	156 Å²	156	125.8 Å²	125.8	83%	0.834	68%	0.676	S	S	*	*	S	Bend	trans	168.2	49.5	150.1	-88.1	-30.2	0	0	0	112.2
142	L	34.3	Very low	31.2	Very low	115 Å²	115	127.6 Å²	127.6	60%	0.602	67%	0.674	S	S	*	*			trans	-127	-7.2	-175.7	-68.1	175.2	0	0	0	115.5	E144 I145	L142-E144 PolarHBondContact O-N 2.85Å; L142-I145 HydrophobicContact CD2-CD1 3.98Å; L142-I145 PolarHBondContact O-N 3.16Å
143	S	30.7	Very low	31.4	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-6.7	-171.2	50.1	0	0	0	0	116.1
144	E	33.9	Very low	31.9	Very low	169 Å²	169	122.9 Å²	122.9	79%	0.79	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-9.1	174.5	-64.8	-171.4	132.7	0	0	113.3	L142	L142-E144 PolarHBondContact O-N 2.85Å
145	I	39.7	Very low	32	Very low	51 Å²	51	118.5 Å²	118.5	26%	0.262	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.8	-21.6	-173.7	-61.2	-179.4	0	0	0	112.6	L142 N147 V148	L142-I145 HydrophobicContact CD2-CD1 3.98Å; L142-I145 PolarHBondContact O-N 3.16Å; I145-N147 PolarHBondContact O-N 2.8Å; I145-N147 VanDerWaalsContact O-N 3.09Å; I145-V148 WeakPolarHBondContact O-CB 3.41Å; I145-V148 PolarHBondContact O-N 3.1Å
146	E	35.5	Very low	32.2	Very low	160 Å²	160	120.4 Å²	120.4	75%	0.748	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-58.9	-28.2	-178.1	-63.6	-164.1	121.7	0	0	113.7	V148 H149	E146-V148 PolarHBondContact O-N 3.35Å; E146-H149 PolarHBondContact O-N 2.8Å
147	N	36.6	Very low	32.2	Very low	148 Å²	148	120.1 Å²	120.1	79%	0.791	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-67	3.6	176	-68.1	-52	0	0	0	114.8	I145	I145-N147 PolarHBondContact O-N 2.8Å; I145-N147 VanDerWaalsContact O-N 3.09Å
148	V	42.3	Very low	32.2	Very low	33 Å²	33	118.8 Å²	118.8	20%	0.2	63%	0.628	C	S	.	*	G	3₁₀ helix	trans	-105.3	-17.3	-177.4	179.7	0	0	0	0	113.3	I145 E146 G150	I145-V148 WeakPolarHBondContact O-CB 3.41Å; I145-V148 PolarHBondContact O-N 3.1Å; E146-V148 PolarHBondContact O-N 3.35Å; V148-G150 PolarHBondContact O-N 3.18Å; V148-G150 VanDerWaalsContact O-N 3.15Å
149	H	37.6	Very low	32.4	Very low	121 Å²	121	117.9 Å²	117.9	56%	0.56	62%	0.62	S	S	*	*			trans	-84	96	-163.8	-82.2	-75.5	0	0	0	116	E146	E146-H149 PolarHBondContact O-N 2.8Å
150	G	35.7	Very low	32.4	Very low	27 Å²	27	116.9 Å²	116.9	28%	0.278	62%	0.624	S	S	.	*			trans	-79.9	148.1	153.9	0	0	0	0	0	112.1	V148 V152	V148-G150 PolarHBondContact O-N 3.18Å; V148-G150 VanDerWaalsContact O-N 3.15Å; G150-V152 PolarHBondContact O-N 3.37Å
151	F	29.2	Very low	32.1	Very low	194 Å²	194	117.2 Å²	117.2	85%	0.851	63%	0.626	S	S	*	*			trans	-80.1	101.3	178	-168	-82.3	0	0	0	110.9	S153	F151-S153 PolarHBondContact O-N 3.41Å
152	V	32	Very low	32.1	Very low	101 Å²	101	115.7 Å²	115.7	61%	0.612	62%	0.624	S	S	*	*			trans	-62.6	115.6	177.8	-179.3	0	0	0	0	110	G150	G150-V152 PolarHBondContact O-N 3.37Å
153	S	28.6	Very low	31.8	Very low	59 Å²	59	116.9 Å²	116.9	41%	0.413	64%	0.637	S	S	.	*			trans	-84.8	139	172.3	-67.2	0	0	0	0	110.3	F151 S155 R878	F151-S153 PolarHBondContact O-N 3.41Å; S153-S155 PolarHBondContact O-N 2.9Å; S153-S155 VanDerWaalsContact O-N 3.11Å; S153-R878 PolarHBondContact OG-NH1 3.39Å
154	H	31.4	Very low	31.7	Very low	144 Å²	144	120.7 Å²	120.7	67%	0.667	64%	0.643	S	S	*	*			trans	-73.9	101.8	-177.3	-61	-64.2	0	0	0	112.6	Y806	H154-Y806 AromaticContact CE1-CE2 3.9Å
155	S	26.7	Very low	31.4	Very low	66 Å²	66	117 Å²	117	46%	0.462	64%	0.642	S	S	.	*			trans	-113.8	128.7	162.4	-70.3	0	0	0	0	109.4	S153 I157	S153-S155 PolarHBondContact O-N 2.9Å; S153-S155 VanDerWaalsContact O-N 3.11Å; S155-I157 PolarHBondContact O-N 2.79Å; S155-I157 VanDerWaalsContact O-N 3.14Å
156	H	28.1	Very low	31.1	Very low	175 Å²	175	120.9 Å²	120.9	81%	0.81	67%	0.667	S	S	*	*			trans	-82.2	89	-176.7	-75.7	-96.7	0	0	0	111.6	S158	H156-S158 PolarHBondContact O-N 2.82Å
157	I	28.8	Very low	31.2	Very low	136 Å²	136	118.7 Å²	118.7	70%	0.697	67%	0.667	S	S	*	*			trans	-63.6	105.9	168.9	-58.1	176.8	0	0	0	108.6	S155	S155-I157 PolarHBondContact O-N 2.79Å; S155-I157 VanDerWaalsContact O-N 3.14Å
158	S	24.5	Very low	31.1	Very low	89 Å²	89	117.8 Å²	117.8	62%	0.622	67%	0.669	S	S	*	*			trans	-114.8	121.8	174.3	-59.1	0	0	0	0	108.1	H156 V160	H156-S158 PolarHBondContact O-N 2.82Å; S158-V160 PolarHBondContact O-N 3.46Å
159	P	30.1	Very low	30.6	Very low	81 Å²	81	121.8 Å²	121.8	53%	0.526	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-59.9	129.5	180	-25.6	34.8	0	0	0	112.5	D781	P159-D781 WeakPolarHBondContact CG-OD1 3.46Å
160	V	30.9	Very low	30.6	Very low	137 Å²	137	121.3 Å²	121.3	83%	0.83	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-68.1	131	176	175.5	0	0	0	0	109.5	S158 P162	S158-V160 PolarHBondContact O-N 3.46Å; V160-P162 WeakPolarHBondContact O-CD 3.46Å
161	K	26.8	Very low	30.7	Very low	193 Å²	193	126 Å²	126	84%	0.839	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-75.1	125.3	172.9	-82.1	-174.1	171.7	-175.8	0	111.1
162	P	30.1	Very low	30.7	Very low	125 Å²	125	123.1 Å²	123.1	81%	0.812	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-69.7	146.2	158.7	-11.4	28.4	0	0	0	110.1	V160	V160-P162 WeakPolarHBondContact O-CD 3.46Å
163	T	28.3	Very low	30.8	Very low	140 Å²	140	124.9 Å²	124.9	86%	0.859	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-88.4	139	167.8	-53.4	0	0	0	0	109.8
164	E	29.7	Very low	31.4	Very low	185 Å²	185	127 Å²	127	86%	0.864	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-80.4	138.3	-172.6	-171.6	171.1	-155.8	0	0	112.4
165	A	27.8	Very low	31.3	Very low	93 Å²	93	126.7 Å²	126.7	77%	0.769	76%	0.764	S	S	*	*			trans	-138.3	131.5	175.7	0	0	0	0	0	110.6
166	V	32.4	Very low	31.5	Very low	132 Å²	132	129.5 Å²	129.5	80%	0.8	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-89	136.2	-169.9	180	0	0	0	0	111.5
167	P	37.6	Very low	32.5	Very low	114 Å²	114	126.8 Å²	126.8	74%	0.74	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-84.4	140.7	177.3	33.1	-34.5	0	0	0	113.2
168	P	35.7	Very low	32.5	Very low	128 Å²	128	125 Å²	125	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-85.2	163.4	164.4	34.4	-32.9	0	0	0	112.6
169	S	31.3	Very low	32.7	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-89.9	159	-167.3	55	0	0	0	0	116.4
170	S	36.1	Very low	33.5	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64.9	156.7	174.4	-34.2	0	0	0	0	115.1
171	P	38.6	Very low	33.4	Very low	126 Å²	126	130.2 Å²	130.2	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-103.6	162.9	156.8	36.5	-29.8	0	0	0	113.3
172	T	30	Very low	34.5	Very low	132 Å²	132	126.6 Å²	126.6	81%	0.81	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-100.1	154.5	-169.2	-49.5	0	0	0	0	113.9
173	V	33.8	Very low	34.5	Very low	139 Å²	139	124.7 Å²	124.7	84%	0.842	79%	0.794	S	S	*	*			trans	-127	134.9	163.6	-177.4	0	0	0	0	109.8
174	P	39.9	Very low	34.5	Very low	103 Å²	103	126.5 Å²	126.5	67%	0.669	79%	0.793	S	S	*	*			trans	-108.2	139.5	-170.7	37.7	-32.7	0	0	0	117
175	V	30.7	Very low	34.5	Very low	138 Å²	138	121.2 Å²	121.2	84%	0.836	78%	0.777	S	S	*	*			trans	72.1	147.5	136	-179.3	0	0	0	0	120.6
176	T	31.4	Very low	34.6	Very low	125 Å²	125	123 Å²	123	77%	0.767	78%	0.778	S	S	*	*			trans	-100.8	-155.5	-174.7	52.9	0	0	0	0	110.5
177	P	48.8	Very low	34.4	Very low	117 Å²	117	122.6 Å²	122.6	76%	0.76	78%	0.775	S	S	*	*			cis	-140.7	-174.4	-5.9	42.7	-23	0	0	0	116.7
178	A	28.3	Very low	33.9	Very low	98 Å²	98	122.8 Å²	122.8	81%	0.81	77%	0.774	S	S	*	*				142.6	154.6	129.3	0	0	0	0	0	117.4
179	L	29.4	Very low	33.6	Very low	168 Å²	168	124.2 Å²	124.2	88%	0.88	77%	0.774	S	S	*	*			trans	-102.9	-164.6	-173.5	-69.1	163.1	0	0	0	110.5
180	P	45.8	Very low	33.4	Very low	113 Å²	113	123.1 Å²	123.1	73%	0.734	77%	0.767	S	S	*	*			cis	-144.1	-176.8	6	31.6	-4.3	0	0	0	120.1
181	V	29.6	Very low	33	Very low	137 Å²	137	124.7 Å²	124.7	83%	0.83	77%	0.771	S	S	*	*			trans	-33.8	179.2	163.6	-86.9	0	0	0	0	119.3
182	P	49.1	Very low	32.7	Very low	116 Å²	116	123 Å²	123	75%	0.753	77%	0.768	S	S	*	*			cis	-149	-173.4	23.8	43.7	-21.5	0	0	0	121
183	A	30.1	Very low	33.2	Very low	85 Å²	85	123.2 Å²	123.2	70%	0.702	77%	0.772	S	S	*	*			trans	72.3	156	148.6	0	0	0	0	0	120.4
184	E	29.5	Very low	32.9	Very low	179 Å²	179	125.5 Å²	125.5	84%	0.836	77%	0.773	S	S	*	*			cis	-176.2	172.2	-21.6	-117.2	-161.4	-76	0	0	108.7
185	S	29.7	Very low	32.3	Very low	74 Å²	74	124.4 Å²	124.4	52%	0.517	77%	0.773	S	S	.	*			cis	-167.6	165	-12.2	-140.4	0	0	0	0	111.1
186	T	29.1	Very low	31.9	Very low	131 Å²	131	125.5 Å²	125.5	80%	0.804	77%	0.774	S	S	*	*			trans	62.5	161	157.6	60.3	0	0	0	0	119
187	V	27.3	Very low	32.8	Very low	122 Å²	122	124.8 Å²	124.8	74%	0.739	77%	0.772	S	S	*	*			cis	-162	140.7	-10.5	124.9	0	0	0	0	112.5
188	V	27.6	Very low	32.6	Very low	119 Å²	119	124.7 Å²	124.7	72%	0.721	77%	0.771	S	S	*	*			trans	44.9	116.6	147.3	-173	0	0	0	0	124.2
189	L	29.1	Very low	33.3	Very low	157 Å²	157	125.9 Å²	125.9	82%	0.822	77%	0.771	S	S	*	*			trans	23	138.9	136.8	-67	157.3	0	0	0	123.1
190	S	28.3	Very low	33.3	Very low	95 Å²	95	123.8 Å²	123.8	66%	0.664	76%	0.764	S	S	*	*				155.1	160.3	86.7	-139.5	0	0	0	0	117.7
191	T	27.6	Very low	32.4	Very low	144 Å²	144	125.9 Å²	125.9	88%	0.883	77%	0.769	S	S	*	*			trans	73.9	152	158.7	57.6	0	0	0	0	123.4
192	A	31.9	Very low	32.3	Very low	91 Å²	91	124.6 Å²	124.6	75%	0.752	76%	0.761	S	S	*	*			trans	-138.5	168.2	175.4	0	0	0	0	0	110.4
193	P	39.3	Very low	31.2	Very low	136 Å²	136	125.8 Å²	125.8	88%	0.883	76%	0.761	S	S	*	*				-151.4	-157.8	120.6	39.6	-20.3	0	0	0	116.3
194	Q	28.3	Very low	31.1	Very low	187 Å²	187	126.6 Å²	126.6	87%	0.874	76%	0.757	S	S	*	*			trans	-97	152.5	-153	-70.4	175.5	-61.1	0	0	120.1
195	A	27	Very low	31	Very low	81 Å²	81	124.8 Å²	124.8	67%	0.669	75%	0.754	S	S	*	*				78.7	127.2	127.1	0	0	0	0	0	126.9
196	N	23.9	Very low	30.8	Very low	161 Å²	161	125.6 Å²	125.6	86%	0.861	76%	0.759	S	S	*	*			trans	94.6	154.4	130.5	-76	4.3	0	0	0	124.1
197	P	50.3	Low	30.8	Very low	110 Å²	110	126 Å²	126	71%	0.714	76%	0.756	S	S	*	*			trans	-123	-157.2	-150.5	47.8	-34.2	0	0	0	113.9
198	P	44.4	Very low	30.9	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	76%	0.756	S	S	*	*			cis	-119.9	-131.7	-6	39.4	-17	0	0	0	112.7
199	P	41.6	Very low	30.9	Very low	123 Å²	123	127.3 Å²	127.3	80%	0.799	75%	0.753	S	S	*	*			cis	-128.4	-144.8	26.7	44.4	-24.4	0	0	0	115.8
200	V	30.7	Very low	30.9	Very low	123 Å²	123	125.4 Å²	125.4	75%	0.745	75%	0.75	S	S	*	*			trans	-148.4	164.8	-165.5	-177.1	0	0	0	0	113.1
201	L	26.5	Very low	30.8	Very low	157 Å²	157	126 Å²	126	82%	0.822	75%	0.75	S	S	*	*			trans	111.1	150.9	160	-60.8	171.3	0	0	0	117.2
202	V	26.8	Very low	30.7	Very low	110 Å²	110	128 Å²	128	67%	0.667	74%	0.743	S	S	*	*			cis	-177.8	147.4	-43.6	130.6	0	0	0	0	111.3
203	N	25.9	Very low	30.6	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	75%	0.749	S	S	*	*			trans	69.9	158.1	165.1	-77.1	8.9	0	0	0	120.4
204	T	27.4	Very low	30.1	Very low	102 Å²	102	130.8 Å²	130.8	63%	0.626	74%	0.742	S	S	*	*			cis	-158.6	161.3	4.5	6.7	0	0	0	0	114.5
205	D	28.1	Very low	30.3	Very low	141 Å²	141	125.2 Å²	125.2	75%	0.754	74%	0.735	S	S	*	*			trans	59.8	148.9	146.9	-58.5	-22.3	0	0	0	123.1
206	S	25.7	Very low	30.9	Very low	90 Å²	90	126.6 Å²	126.6	63%	0.629	74%	0.736	S	S	*	*			cis	-164.6	-174.1	-16	-95.6	0	0	0	0	108
207	L	28.8	Very low	32	Very low	141 Å²	141	124.5 Å²	124.5	74%	0.738	72%	0.724	S	S	*	*			cis	-145	154.3	30.6	-95.8	88.1	0	0	0	109.6
208	E	28.8	Very low	32	Very low	158 Å²	158	122.2 Å²	122.2	74%	0.738	72%	0.715	S	S	*	*				61	141.1	72.4	-57.6	-173.5	101.5	0	0	117.2
209	T	27.8	Very low	32.7	Very low	109 Å²	109	120.6 Å²	120.6	67%	0.669	70%	0.7	S	S	*	*			cis	-163.4	154.1	-46.6	-1.5	0	0	0	0	110.2
210	P	30.5	Very low	34.3	Very low	117 Å²	117	118.4 Å²	118.4	76%	0.76	68%	0.676	S	S	*	*				-142.5	123.6	106.8	28.6	-10.1	0	0	0	113.9
211	T	26	Very low	36.7	Very low	107 Å²	107	115.6 Å²	115.6	66%	0.656	66%	0.655	S	S	*	*				63.2	129.7	77.7	65.6	0	0	0	0	115
212	Y	25.7	Very low	39.7	Very low	187 Å²	187	112.5 Å²	112.5	73%	0.733	63%	0.633	S	S	*	*			cis	-165.2	130.9	8.8	-148.6	-75.7	0	0	0	112.6
213	V	28.7	Very low	42.7	Very low	145 Å²	145	109.7 Å²	109.7	88%	0.879	61%	0.612	S	S	*	*			trans	-155.2	147.5	146.3	-154.8	0	0	0	0	108.6
214	N	29.7	Very low	45.9	Very low	140 Å²	140	107 Å²	107	75%	0.749	60%	0.595	S	S	*	*			trans	-88.2	146.2	-178.2	-78.7	-18.9	0	0	0	113.4
215	G	31.3	Very low	49.1	Very low	70 Å²	70	102.1 Å²	102.1	72%	0.722	57%	0.565	S	S	*	*			trans	173.8	42	174.1	0	0	0	0	0	118.8	D217	G215-D217 PolarHBondContact O-N 2.78Å
216	T	41.4	Very low	52.3	Low	111 Å²	111	98.1 Å²	98.1	68%	0.681	55%	0.546	S	S	*	.			trans	27.2	87.2	163.7	51.2	0	0	0	0	119.4	A218	T216-A218 PolarHBondContact O-N 3.41Å
217	D	46.3	Very low	55.5	Low	116 Å²	116	94 Å²	94	62%	0.62	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	24.4	171.3	-163.5	27.2	0	0	0	114.3	G215 Y222	G215-D217 PolarHBondContact O-N 2.78Å; D217-Y222 WeakPolarHBondContact OD1-CE2 3.36Å; D217-Y222 PolarHBondContact OD1-OH 3.23Å; D217-Y222 VanDerWaalsContact OD1-OH 3.1Å
218	A	49.3	Very low	58.5	Low	63 Å²	63	94.1 Å²	94.1	52%	0.521	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-34.4	-171.1	0	0	0	0	0	113.3	T216 Y220 K311	T216-A218 PolarHBondContact O-N 3.41Å; A218-Y220 PolarHBondContact O-N 2.9Å; A218-K311 PolarHBondContact O-NZ 3.18Å
219	D	60.6	Low	61.4	Low	81 Å²	81	90.6 Å²	90.6	43%	0.433	49%	0.494	S	S	.	.	S	Bend	trans	-86.6	-5	-166.8	-57.4	-59.6	0	0	0	114.5	K311	D219-K311 PolarHBondContact O-N 3.09Å
220	Y	74.4	Confident	63.8	Low	77 Å²	77	87 Å²	87	30%	0.302	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.4	-179.5	-67.2	-94.2	0	0	0	111.7	A218 K308 R309 R310 K311	A218-Y220 PolarHBondContact O-N 2.9Å; Y220-K308 HydrophobicContact CD1-CB 4.34Å; Y220-R309 CarbonylContact C-O 3.51Å; Y220-R309 VanDerWaalsContact CA-O 3.24Å; Y220-R309 WeakPolarHBondContact CA-O 3.46Å; Y220-R309 WeakPolarHBondContact CD1-O 3.39Å; Y220-R310 HydrophobicContact CD1-CG 3.92Å; Y220-R310 HydrophobicContact CE1-CG 3.38Å; Y220-K311 WeakPolarHBondContact O-CE 3.46Å; Y220-K311 PolarHBondContact O-NZ 3.2Å
221	E	81.3	Confident	65.8	Low	63 Å²	63	90.4 Å²	90.4	29%	0.294	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.2	162.6	61.2	-176.6	-153	0	0	109.5	R271 R309 K311	E221-R271 IonicContact OE1-NH1 2.79Å; E221-R271 PolarHBondContact OE1-NH1 2.91Å; E221-R309 HydrophobicContact CG-CG 3.46Å; E221-R309 VanDerWaalsContact CG-CG 3.46Å; E221-R309 PolarHBondContact N-O 3.24Å; E221-R309 PolarHBondContact O-N 2.84Å; E221-R309 WeakPolarHBondContact OE1-CD 3.38Å; E221-R309 IonicContact OE1-NH1 3.68Å; E221-K311 HydrophobicContact CB-CG 3.87Å; E221-K311 HydrophobicContact CG-CG 4.13Å
222	Y	89.2	Confident	68	Low	93 Å²	93	89.9 Å²	89.9	37%	0.365	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.6	-179.4	-65.6	-95	0	0	0	109.1	D217 L277 Y306 V307 K308	D217-Y222 WeakPolarHBondContact OD1-CE2 3.36Å; D217-Y222 PolarHBondContact OD1-OH 3.23Å; D217-Y222 VanDerWaalsContact OD1-OH 3.1Å; Y222-L277 HydrophobicContact CD1-CD1 3.93Å; Y222-L277 HydrophobicContact CE1-CD1 3.61Å; Y222-Y306 WeakPolarHBondContact CB-OH 3.36Å; Y222-Y306 AromaticContact CD1-CE1 3.82Å; Y222-Y306 HydrophobicContact CD1-CE1 3.82Å; Y222-Y306 AromaticContact CD1-CZ 3.87Å; Y222-V307 VanDerWaalsContact CA-O 3.29Å; Y222-V307 WeakPolarHBondContact CA-O 3.2Å; Y222-K308 HydrophobicContact CD1-CB 4.06Å; Y222-K308 HydrophobicContact CE1-CB 3.82Å
223	E	89.8	Confident	70.9	Confident	50 Å²	50	81.9 Å²	81.9	23%	0.234	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	-179.7	-163.2	175	178.7	0	0	110.5	I225 V307 R309	E223-I225 HydrophobicContact CB-CG1 4.31Å; E223-I225 HydrophobicContact CG-CD1 4.32Å; E223-I225 HydrophobicContact CG-CG1 3.82Å; E223-V307 HydrophobicContact CB-CG2 4.07Å; E223-V307 PolarHBondContact N-O 3.47Å; E223-V307 PolarHBondContact O-N 2.83Å; E223-R309 IonicContact OE2-CZ 3.28Å; E223-R309 IonicContact OE2-NH1 2.77Å; E223-R309 PolarHBondContact OE2-NH1 3.28Å; E223-R309 IonicContact OE2-NH2 2.71Å; E223-R309 PolarHBondContact OE2-NH2 3.48Å
224	E	93.4	Very high	73.7	Confident	85 Å²	85	75.7 Å²	75.7	40%	0.397	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.5	167.1	-167.5	172.8	78.1	0	0	109.9	R278 L305 Y306	E224-R278 IonicContact OE2-CZ 3.09Å; E224-R278 IonicContact OE2-NH1 3.85Å; E224-R278 PolarHBondContact OE2-NH1 2.82Å; E224-R278 VanDerWaalsContact OE2-NH1 3.09Å; E224-R278 IonicContact OE2-NH2 3.37Å; E224-R278 PolarHBondContact OE2-NH2 3.03Å; E224-L305 CarbonylContact C-O 3.58Å; E224-L305 WeakPolarHBondContact CA-O 3.18Å; E224-Y306 HydrophobicContact CB-CD2 4.19Å
225	I	95.1	Very high	76.5	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	-174.1	-56.4	172.3	0	0	0	107.7	E223 L227 R269 L270 R304 L305 V307	E223-I225 HydrophobicContact CB-CG1 4.31Å; E223-I225 HydrophobicContact CG-CD1 4.32Å; E223-I225 HydrophobicContact CG-CG1 3.82Å; I225-L227 HydrophobicContact CG2-CD2 3.89Å; I225-L227 HydrophobicContact CG2-CG 4.08Å; I225-R269 HydrophobicContact CD1-CB 4.09Å; I225-R269 HydrophobicContact CG1-CB 4.27Å; I225-R269 HydrophobicContact CG2-CB 4.41Å; I225-L270 HydrophobicContact CD1-CB 4.15Å; I225-L270 HydrophobicContact CD1-CD1 3.84Å; I225-R304 WeakPolarHBondContact O-CA 3.39Å; I225-L305 PolarHBondContact N-O 3.49Å; I225-L305 PolarHBondContact O-N 3.08Å; I225-V307 HydrophobicContact CD1-CG2 4Å
226	T	94.8	Very high	79.5	Confident	58 Å²	58	67.1 Å²	67.1	36%	0.356	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.2	175.6	-62.1	0	0	0	0	109.4	I302 V303 R304	T226-I302 HydrophobicContact CG2-CG2 3.53Å; T226-V303 WeakPolarHBondContact CA-O 3.47Å; T226-R304 HydrophobicContact CG2-CG 4.2Å
227	L	93.8	Very high	81.7	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138	179.3	-60.3	177.1	0	0	0	110.5	I225 L234 F236 A264 D267 L270 V303 L305	I225-L227 HydrophobicContact CG2-CD2 3.89Å; I225-L227 HydrophobicContact CG2-CG 4.08Å; L227-L234 HydrophobicContact CB-CD2 4.28Å; L227-F236 HydrophobicContact CD1-CD1 4.24Å; L227-F236 HydrophobicContact CD1-CE1 3.91Å; L227-A264 HydrophobicContact CD1-CB 3.91Å; L227-D267 HydrophobicContact CD2-CB 3.49Å; L227-D267 VanDerWaalsContact CD2-CB 3.49Å; L227-L270 HydrophobicContact CD1-CD2 4.41Å; L227-V303 PolarHBondContact N-O 3.24Å; L227-V303 PolarHBondContact O-N 2.85Å; L227-L305 HydrophobicContact CD1-CD1 4.02Å
228	E	90.8	Very high	83.9	Confident	143 Å²	143	59.7 Å²	59.7	67%	0.668	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.8	167.5	-169.6	169.1	-166.8	0	0	110.1	G230 A263 S301	E228-G230 PolarHBondContact O-N 2.95Å; E228-A263 WeakPolarHBondContact O-CB 3.41Å; E228-S301 CarbonylContact C-O 3.55Å; E228-S301 WeakPolarHBondContact CA-O 3.39Å
229	R	89	Confident	85.6	Confident	83 Å²	83	57.5 Å²	57.5	31%	0.313	31%	0.306	S	S	.	.			trans	-80.3	103.1	-176.1	-168.7	-173.7	-57.2	-102.3	-2.9	110.3	L234 L296 G300 S301	R229-L234 HydrophobicContact CB-CD2 4.06Å; R229-L234 HydrophobicContact CG-CD2 4.26Å; R229-L296 PolarHBondContact NH1-O 3.01Å; R229-L296 VanDerWaalsContact NH1-O 3.16Å; R229-L296 PolarHBondContact NH2-O 3.16Å; R229-G300 VanDerWaalsContact CZ-O 3.24Å; R229-G300 PolarHBondContact NE-O 2.81Å; R229-G300 PolarHBondContact NH2-O 3.2Å; R229-S301 PolarHBondContact N-O 2.81Å
230	G	78.5	Confident	86.8	Confident	35 Å²	35	53.6 Å²	53.6	36%	0.361	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-71.8	177.9	173.7	0	0	0	0	0	113.5	E228 S232 G233	E228-G230 PolarHBondContact O-N 2.95Å; G230-S232 PolarHBondContact O-N 2.8Å; G230-G233 PolarHBondContact N-O 3.26Å; G230-G233 VanDerWaalsContact N-O 3.14Å; G230-G233 PolarHBondContact O-N 2.97Å
231	N	72.1	Confident	87.4	Confident	188 Å²	188	50 Å²	50	100%	1.005	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21	-177.9	-64.7	-7.1	0	0	0	114.5
232	S	72	Confident	87.6	Confident	95 Å²	95	50.4 Å²	50.4	66%	0.664	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	15.8	175.8	53.6	0	0	0	0	113.5	G230	G230-S232 PolarHBondContact O-N 2.8Å
233	G	86.6	Confident	87.4	Confident	19 Å²	19	50.2 Å²	50.2	20%	0.196	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	86.1	-149	-175.2	0	0	0	0	0	113	G230	G230-G233 PolarHBondContact N-O 3.26Å; G230-G233 VanDerWaalsContact N-O 3.14Å; G230-G233 PolarHBondContact O-N 2.97Å
234	L	88.5	Confident	86.9	Confident	16 Å²	16	52.5 Å²	52.5	8%	0.084	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-10.6	-175.8	-59.8	172.2	0	0	0	113.9	L227 R229 F236 A264 L296 V303	L227-L234 HydrophobicContact CB-CD2 4.28Å; R229-L234 HydrophobicContact CB-CD2 4.06Å; R229-L234 HydrophobicContact CG-CD2 4.26Å; L234-F236 HydrophobicContact CB-CD1 3.75Å; L234-F236 HydrophobicContact CB-CE1 3.44Å; L234-F236 VanDerWaalsContact CB-CE1 3.44Å; L234-F236 HydrophobicContact CB-CZ 4.27Å; L234-F236 HydrophobicContact CD1-CE1 3.78Å; L234-F236 HydrophobicContact CD1-CZ 3.9Å; L234-F236 HydrophobicContact CG-CE1 4.23Å; L234-A264 WeakPolarHBondContact O-CB 3.42Å; L234-A264 PolarHBondContact O-N 3.23Å; L234-L296 HydrophobicContact CD1-CD2 4.06Å; L234-V303 HydrophobicContact CD1-CB 4.21Å; L234-V303 HydrophobicContact CD1-CG1 4.07Å; L234-V303 HydrophobicContact CD1-CG2 4.09Å; L234-V303 HydrophobicContact CD2-CB 3.97Å; L234-V303 HydrophobicContact CD2-CG2 3.76Å
235	G	88.9	Confident	86.2	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	75	27.6	176.1	0	0	0	0	0	115.5	I259	G235-I259 WeakPolarHBondContact O-CB 3.43Å; G235-I259 PolarHBondContact O-N 2.84Å
236	F	93.2	Very high	85.1	Confident	26 Å²	26	55.6 Å²	55.6	11%	0.114	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	166.5	171.8	65.7	-96.9	0	0	0	111.9	L227 L234 I238 I255 K257 I258 A264 L270 I276 L296 L305	L227-F236 HydrophobicContact CD1-CD1 4.24Å; L227-F236 HydrophobicContact CD1-CE1 3.91Å; L234-F236 HydrophobicContact CB-CD1 3.75Å; L234-F236 HydrophobicContact CB-CE1 3.44Å; L234-F236 VanDerWaalsContact CB-CE1 3.44Å; L234-F236 HydrophobicContact CB-CZ 4.27Å; L234-F236 HydrophobicContact CD1-CE1 3.78Å; L234-F236 HydrophobicContact CD1-CZ 3.9Å; L234-F236 HydrophobicContact CG-CE1 4.23Å; F236-I238 HydrophobicContact CD2-CG2 3.98Å; F236-I238 HydrophobicContact CE2-CG2 3.77Å; F236-I255 HydrophobicContact CB-CG2 4.38Å; F236-I255 HydrophobicContact CD2-CD1 3.42Å; F236-I255 VanDerWaalsContact CD2-CD1 3.42Å; F236-I255 HydrophobicContact CE2-CD1 3.6Å; F236-I255 HydrophobicContact CG-CD1 4.07Å; F236-I255 HydrophobicContact CZ-CD1 4.36Å; F236-K257 CarbonylContact C-O 3.21Å; F236-K257 VanDerWaalsContact CA-O 3.23Å; F236-K257 WeakPolarHBondContact CA-O 3.29Å; F236-K257 WeakPolarHBondContact CB-O 3.2Å; F236-I258 HydrophobicContact CB-CG1 4.44Å; F236-A264 HydrophobicContact CB-CB 4.36Å; F236-A264 HydrophobicContact CD1-CB 3.95Å; F236-L270 HydrophobicContact CB-CD2 4.08Å; F236-L270 HydrophobicContact CD1-CD2 3.59Å; F236-L270 HydrophobicContact CE1-CD2 4.05Å; F236-L270 HydrophobicContact CG-CD2 3.83Å; F236-I276 HydrophobicContact CE2-CD1 4.05Å; F236-I276 HydrophobicContact CZ-CD1 4.43Å; F236-L296 HydrophobicContact CE2-CD1 4.22Å; F236-L296 HydrophobicContact CE2-CD2 4.41Å; F236-L296 HydrophobicContact CZ-CD1 4.5Å; F236-L296 HydrophobicContact CZ-CD2 3.9Å; F236-L305 HydrophobicContact CE1-CD1 3.7Å; F236-L305 HydrophobicContact CZ-CD1 3.64Å; F236-L305 HydrophobicContact CZ-CD2 4.47Å
237	S	88.8	Confident	84.1	Confident	44 Å²	44	56.7 Å²	56.7	31%	0.308	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.4	175.3	-52.5	0	0	0	0	110.6	I255 T256 K257	S237-I255 WeakPolarHBondContact O-CA 3.36Å; S237-T256 PolarHBondContact O-N 2.83Å; S237-T256 PolarHBondContact O-OG1 2.57Å; S237-K257 PolarHBondContact N-O 2.77Å
238	I	92.4	Very high	83.1	Confident	28 Å²	28	59.6 Å²	59.6	14%	0.144	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.1	176.1	57.4	160.1	0	0	0	112.6	F236 I253 F254 I255 I276 A292 V293 L296	F236-I238 HydrophobicContact CD2-CG2 3.98Å; F236-I238 HydrophobicContact CE2-CG2 3.77Å; I238-I253 HydrophobicContact CB-CG2 3.97Å; I238-I253 HydrophobicContact CD1-CG2 3.69Å; I238-I253 HydrophobicContact CG1-CG2 4.45Å; I238-I253 HydrophobicContact CG2-CG2 4.08Å; I238-F254 CarbonylContact C-O 3.59Å; I238-F254 WeakPolarHBondContact CA-O 3.27Å; I238-I255 HydrophobicContact CG2-CD1 4.01Å; I238-I276 HydrophobicContact CG2-CD1 3.78Å; I238-A292 HydrophobicContact CD1-CB 4.22Å; I238-V293 HydrophobicContact CD1-CG2 3.88Å; I238-V293 HydrophobicContact CG1-CG2 4.45Å; I238-L296 HydrophobicContact CD1-CD1 3.72Å; I238-L296 HydrophobicContact CG1-CD1 4.34Å; I238-L296 HydrophobicContact CG2-CD1 4.37Å
239	A	83.7	Confident	82.2	Confident	16 Å²	16	60.9 Å²	60.9	13%	0.132	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	174.2	163.9	0	0	0	0	0	109.7	H246 I253 F254 T256	A239-H246 HydrophobicContact CB-CB 4.13Å; A239-I253 CarbonylContact O-C 3.54Å; A239-I253 WeakPolarHBondContact O-CA 3.28Å; A239-F254 PolarHBondContact N-O 3.02Å; A239-F254 PolarHBondContact O-N 2.82Å; A239-T256 HydrophobicContact CB-CG2 3.43Å; A239-T256 VanDerWaalsContact CB-CG2 3.43Å
240	G	87.1	Confident	81.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	37%	0.365	C	S	.	.			trans	93.7	171.4	-176.3	0	0	0	0	0	112.8	N244 S252 I253 H289	G240-N244 CarbonylContact C-O 3.57Å; G240-N244 WeakPolarHBondContact CA-O 3.38Å; G240-S252 WeakPolarHBondContact CA-O 3.28Å; G240-I253 WeakPolarHBondContact O-CD1 3.2Å; G240-H289 WeakPolarHBondContact O-CB 3.48Å; G240-H289 PolarHBondContact O-ND1 2.97Å
241	G	86.8	Confident	82	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	36%	0.356	C	S	.	.			trans	133.7	159.7	-170.8	0	0	0	0	0	110.9	D243 N244 P245 S251 V287	G241-D243 PolarHBondContact O-N 3.25Å; G241-N244 CarbonylContact O-C 3.54Å; G241-N244 PolarHBondContact O-N 2.78Å; G241-N244 VanDerWaalsContact O-N 3.13Å; G241-P245 VanDerWaalsContact O-N 3.16Å; G241-S251 VanDerWaalsContact CA-O 3.29Å; G241-S251 WeakPolarHBondContact CA-O 3.48Å; G241-S251 PolarHBondContact N-O 2.77Å; G241-V287 CarbonylContact C-O 3.51Å; G241-V287 WeakPolarHBondContact CA-O 3.16Å
242	T	85.5	Confident	82.9	Confident	72 Å²	72	50.9 Å²	50.9	44%	0.442	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	-178.1	57.2	0	0	0	0	114.3	D286 V287	T242-D286 VanDerWaalsContact CG2-C 3.45Å; T242-D286 HydrophobicContact CG2-CB 4.25Å; T242-V287 PolarHBondContact N-O 3.31Å
243	D	85.4	Confident	83.9	Confident	90 Å²	90	46.4 Å²	46.4	48%	0.481	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-18.4	176.6	56.3	-20.8	0	0	0	113.4	G241 T288 H289	G241-D243 PolarHBondContact O-N 3.25Å; D243-T288 HydrophobicContact CB-CG2 4.11Å; D243-T288 VanDerWaalsContact OD1-CA 3.28Å; D243-T288 WeakPolarHBondContact OD1-CA 3.43Å; D243-T288 WeakPolarHBondContact OD2-CB 3.43Å; D243-H289 PolarHBondContact OD1-N 3.05Å; D243-H289 PolarHBondContact OD2-N 2.95Å
244	N	77.9	Confident	84.2	Confident	97 Å²	97	46.3 Å²	46.3	52%	0.519	28%	0.276	S	S	.	.	S	Bend	trans	-150.5	72	-179.8	-173.4	27.7	0	0	0	111.3	G240 G241 H246	G240-N244 CarbonylContact C-O 3.57Å; G240-N244 WeakPolarHBondContact CA-O 3.38Å; G241-N244 CarbonylContact O-C 3.54Å; G241-N244 PolarHBondContact O-N 2.78Å; G241-N244 VanDerWaalsContact O-N 3.13Å; N244-H246 PolarHBondContact O-N 3.16Å
245	P	78.9	Confident	84.3	Confident	60 Å²	60	45.6 Å²	45.6	39%	0.39	27%	0.272	S	S	.	.			trans	-57.4	132.1	179.2	-26.5	36.8	0	0	0	112.1	G241 G248	G241-P245 VanDerWaalsContact O-N 3.16Å; P245-G248 WeakPolarHBondContact CB-O 3.16Å
246	H	71.6	Confident	84.1	Confident	91 Å²	91	47.9 Å²	47.9	42%	0.421	29%	0.285	S	S	.	.	S	Bend	trans	-90.9	-26.1	-176.1	-172.1	45.2	0	0	0	113.3	A239 N244 F254 T256	A239-H246 HydrophobicContact CB-CB 4.13Å; N244-H246 PolarHBondContact O-N 3.16Å; H246-F254 HydrophobicContact CB-CD2 4.01Å; H246-F254 HydrophobicContact CB-CE2 4.49Å; H246-T256 WeakPolarHBondContact NE2-CG2 3.11Å
247	V	74.4	Confident	83.6	Confident	81 Å²	81	52.7 Å²	52.7	49%	0.491	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-134.5	84.2	-171.3	-173.6	0	0	0	0	109.5	D249 D250 F254	V247-D249 PolarHBondContact O-N 2.76Å; V247-D250 HydrophobicContact CB-CB 4.44Å; V247-D250 WeakPolarHBondContact O-CB 3.4Å; V247-D250 PolarHBondContact O-N 2.85Å; V247-D250 VanDerWaalsContact O-N 3.1Å; V247-F254 HydrophobicContact CB-CE2 4.23Å; V247-F254 HydrophobicContact CB-CZ 4.19Å; V247-F254 HydrophobicContact CG2-CD2 4.2Å; V247-F254 HydrophobicContact CG2-CE1 4.28Å; V247-F254 HydrophobicContact CG2-CE2 3.8Å; V247-F254 HydrophobicContact CG2-CZ 3.84Å
248	G	73.4	Confident	83.5	Confident	65 Å²	65	52.5 Å²	52.5	67%	0.67	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-128.4	-173.8	0	0	0	0	0	110.7	P245 D250	P245-G248 WeakPolarHBondContact CB-O 3.16Å; G248-D250 VanDerWaalsContact C-N 3.33Å
249	D	70.9	Confident	83.1	Confident	169 Å²	169	54.7 Å²	54.7	90%	0.904	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	9.3	177.4	-57.1	-46	0	0	0	113.7	V247 S251	V247-D249 PolarHBondContact O-N 2.76Å; D249-S251 PolarHBondContact O-N 2.81Å
250	D	80.7	Confident	82.9	Confident	57 Å²	57	60.7 Å²	60.7	31%	0.305	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-77.9	113.7	178.5	-165	-20.3	0	0	0	111.9	V247 G248 S252 F254	V247-D250 HydrophobicContact CB-CB 4.44Å; V247-D250 WeakPolarHBondContact O-CB 3.4Å; V247-D250 PolarHBondContact O-N 2.85Å; V247-D250 VanDerWaalsContact O-N 3.1Å; G248-D250 VanDerWaalsContact C-N 3.33Å; D250-S252 VanDerWaalsContact C-N 3.27Å; D250-S252 PolarHBondContact O-N 2.82Å; D250-S252 WeakPolarHBondContact OD1-CB 3.38Å; D250-S252 PolarHBondContact OD1-N 2.94Å; D250-S252 PolarHBondContact OD1-OG 3.5Å; D250-F254 HydrophobicContact CB-CE2 4.44Å; D250-F254 HydrophobicContact CB-CZ 4.37Å
251	S	83.9	Confident	82.5	Confident	25 Å²	25	63.1 Å²	63.1	18%	0.175	37%	0.373	C	S	.	.			trans	-72.2	-9.2	176.7	50.3	0	0	0	0	114.7	G241 D249 D286	G241-S251 VanDerWaalsContact CA-O 3.29Å; G241-S251 WeakPolarHBondContact CA-O 3.48Å; G241-S251 PolarHBondContact N-O 2.77Å; D249-S251 PolarHBondContact O-N 2.81Å; S251-D286 WeakPolarHBondContact CB-OD1 3.33Å; S251-D286 PolarHBondContact OG-OD1 3.43Å
252	S	90.2	Very high	82.5	Confident	14 Å²	14	63.2 Å²	63.2	10%	0.098	37%	0.374	C	S	.	.			trans	-59.5	149.4	-175.2	-59.1	0	0	0	0	113	G240 D250 F254 K308	G240-S252 WeakPolarHBondContact CA-O 3.28Å; D250-S252 VanDerWaalsContact C-N 3.27Å; D250-S252 PolarHBondContact O-N 2.82Å; D250-S252 WeakPolarHBondContact OD1-CB 3.38Å; D250-S252 PolarHBondContact OD1-N 2.94Å; D250-S252 PolarHBondContact OD1-OG 3.5Å; S252-F254 WeakPolarHBondContact O-CD2 3.47Å; S252-F254 VanDerWaalsContact O-CE2 3.31Å; S252-F254 WeakPolarHBondContact O-CE2 3.43Å; S252-K308 PolarHBondContact OG-NZ 3.46Å
253	I	92.9	Very high	82.6	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.2	173.6	-52.4	-58.6	0	0	0	109.5	I238 A239 G240 C275 I276 V284 V287 A292	I238-I253 HydrophobicContact CB-CG2 3.97Å; I238-I253 HydrophobicContact CD1-CG2 3.69Å; I238-I253 HydrophobicContact CG1-CG2 4.45Å; I238-I253 HydrophobicContact CG2-CG2 4.08Å; A239-I253 CarbonylContact O-C 3.54Å; A239-I253 WeakPolarHBondContact O-CA 3.28Å; G240-I253 WeakPolarHBondContact O-CD1 3.2Å; I253-C275 CarbonylContact O-C 3.56Å; I253-C275 WeakPolarHBondContact O-CA 3.21Å; I253-I276 HydrophobicContact CB-CB 4.43Å; I253-I276 HydrophobicContact CG2-CB 4.44Å; I253-I276 HydrophobicContact CG2-CD1 4.31Å; I253-I276 PolarHBondContact O-N 3.42Å; I253-V284 HydrophobicContact CG1-CB 4.49Å; I253-V287 HydrophobicContact CD1-CG2 4.34Å; I253-V287 HydrophobicContact CG1-CG2 4.45Å; I253-A292 HydrophobicContact CD1-CB 3.6Å; I253-A292 HydrophobicContact CG1-CB 3.71Å; I253-A292 HydrophobicContact CG2-CB 4.21Å
254	F	92.4	Very high	82.9	Confident	18 Å²	18	56.2 Å²	56.2	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.4	-176.7	-64.3	-91.7	0	0	0	112.8	I238 A239 H246 V247 D250 S252 T256 D274 C275	I238-F254 CarbonylContact C-O 3.59Å; I238-F254 WeakPolarHBondContact CA-O 3.27Å; A239-F254 PolarHBondContact N-O 3.02Å; A239-F254 PolarHBondContact O-N 2.82Å; H246-F254 HydrophobicContact CB-CD2 4.01Å; H246-F254 HydrophobicContact CB-CE2 4.49Å; V247-F254 HydrophobicContact CB-CE2 4.23Å; V247-F254 HydrophobicContact CB-CZ 4.19Å; V247-F254 HydrophobicContact CG2-CD2 4.2Å; V247-F254 HydrophobicContact CG2-CE1 4.28Å; V247-F254 HydrophobicContact CG2-CE2 3.8Å; V247-F254 HydrophobicContact CG2-CZ 3.84Å; D250-F254 HydrophobicContact CB-CE2 4.44Å; D250-F254 HydrophobicContact CB-CZ 4.37Å; S252-F254 WeakPolarHBondContact O-CD2 3.47Å; S252-F254 VanDerWaalsContact O-CE2 3.31Å; S252-F254 WeakPolarHBondContact O-CE2 3.43Å; F254-T256 PolarHBondContact O-N 2.83Å; F254-D274 CarbonylContact C-O 3.6Å; F254-D274 WeakPolarHBondContact CA-O 3.28Å; F254-C275 HydrophobicContact CD1-CB 4.2Å; F254-C275 HydrophobicContact CE1-CB 4.3Å; F254-C275 WeakPolarHBondContact CE1-SG 3.36Å
255	I	90.6	Very high	83.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	110.3	164.4	-55.9	-62.3	0	0	0	108.8	F236 S237 I238 I258 L270 R271 N273 D274 I276	F236-I255 HydrophobicContact CB-CG2 4.38Å; F236-I255 HydrophobicContact CD2-CD1 3.42Å; F236-I255 VanDerWaalsContact CD2-CD1 3.42Å; F236-I255 HydrophobicContact CE2-CD1 3.6Å; F236-I255 HydrophobicContact CG-CD1 4.07Å; F236-I255 HydrophobicContact CZ-CD1 4.36Å; S237-I255 WeakPolarHBondContact O-CA 3.36Å; I238-I255 HydrophobicContact CG2-CD1 4.01Å; I255-I258 HydrophobicContact CG2-CG1 4.05Å; I255-L270 HydrophobicContact CD1-CD1 4.29Å; I255-L270 HydrophobicContact CD1-CD2 3.92Å; I255-L270 HydrophobicContact CD1-CG 4.39Å; I255-L270 HydrophobicContact CG1-CD1 4.13Å; I255-L270 HydrophobicContact CG1-CD2 4.25Å; I255-L270 HydrophobicContact CG1-CG 4.22Å; I255-R271 WeakPolarHBondContact CB-O 3.5Å; I255-R271 WeakPolarHBondContact CG2-O 3.31Å; I255-N273 PolarHBondContact O-N 2.84Å; I255-D274 HydrophobicContact CB-CB 4.33Å; I255-D274 HydrophobicContact CG1-CB 3.79Å; I255-D274 WeakPolarHBondContact CG1-O 3.44Å; I255-D274 PolarHBondContact N-O 2.9Å; I255-I276 HydrophobicContact CD1-CD1 3.78Å; I255-I276 HydrophobicContact CD1-CG1 3.93Å; I255-I276 HydrophobicContact CG1-CG1 4.48Å
256	T	84.7	Confident	83.7	Confident	51 Å²	51	57.9 Å²	57.9	31%	0.313	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-24	-179.3	52.7	0	0	0	0	113.7	S237 A239 H246 F254	S237-T256 PolarHBondContact O-N 2.83Å; S237-T256 PolarHBondContact O-OG1 2.57Å; A239-T256 HydrophobicContact CB-CG2 3.43Å; A239-T256 VanDerWaalsContact CB-CG2 3.43Å; H246-T256 WeakPolarHBondContact NE2-CG2 3.11Å; F254-T256 PolarHBondContact O-N 2.83Å
257	K	84.1	Confident	84.6	Confident	128 Å²	128	56.1 Å²	56.1	56%	0.557	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.2	142.7	-178	-170.2	173.6	-177.4	175.5	0	110.7	F236 S237	F236-K257 CarbonylContact C-O 3.21Å; F236-K257 VanDerWaalsContact CA-O 3.23Å; F236-K257 WeakPolarHBondContact CA-O 3.29Å; F236-K257 WeakPolarHBondContact CB-O 3.2Å; S237-K257 PolarHBondContact N-O 2.77Å
258	I	85.9	Confident	85.1	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.205	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.9	165.3	-67.2	174.5	0	0	0	107.5	F236 I255 A264 A265 L270 V272	F236-I258 HydrophobicContact CB-CG1 4.44Å; I255-I258 HydrophobicContact CG2-CG1 4.05Å; I258-A264 HydrophobicContact CG2-CB 4.5Å; I258-A265 HydrophobicContact CG2-CB 3.71Å; I258-L270 HydrophobicContact CD1-CB 4.32Å; I258-L270 HydrophobicContact CD1-CG 4.43Å; I258-L270 WeakPolarHBondContact CD1-O 3.44Å; I258-V272 HydrophobicContact CD1-CG2 4.48Å; I258-V272 HydrophobicContact CG1-CG2 4.27Å
259	I	83.8	Confident	85.8	Confident	74 Å²	74	56.2 Å²	56.2	38%	0.379	32%	0.323	S	S	.	.			trans	-94.6	110.9	-173.8	-56.8	176.4	0	0	0	107.9	G235 G261 G262 A265	G235-I259 WeakPolarHBondContact O-CB 3.43Å; G235-I259 PolarHBondContact O-N 2.84Å; I259-G261 PolarHBondContact O-N 2.92Å; I259-G262 WeakPolarHBondContact O-CA 3.31Å; I259-G262 PolarHBondContact O-N 3.47Å; I259-A265 VanDerWaalsContact O-CB 3.27Å; I259-A265 WeakPolarHBondContact O-CB 3.26Å
260	T	80.2	Confident	86.8	Confident	141 Å²	141	48.4 Å²	48.4	87%	0.865	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	124.4	178.5	-47.1	0	0	0	0	111.3	G262	T260-G262 VanDerWaalsContact C-N 3.29Å; T260-G262 PolarHBondContact O-N 2.92Å
261	G	79.4	Confident	87.1	Confident	51 Å²	51	51.4 Å²	51.4	53%	0.526	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-6.3	-176.5	0	0	0	0	0	115.7	I259 Q266	I259-G261 PolarHBondContact O-N 2.92Å; G261-Q266 PolarHBondContact O-NE2 3.34Å
262	G	86	Confident	87.1	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	-78.7	168.2	168.4	0	0	0	0	0	112.8	I259 T260 A264 A265 Q266	I259-G262 WeakPolarHBondContact O-CA 3.31Å; I259-G262 PolarHBondContact O-N 3.47Å; T260-G262 VanDerWaalsContact C-N 3.29Å; T260-G262 PolarHBondContact O-N 2.92Å; G262-A264 PolarHBondContact O-N 3.24Å; G262-A265 WeakPolarHBondContact O-CA 3.49Å; G262-A265 WeakPolarHBondContact O-CB 3.44Å; G262-A265 PolarHBondContact O-N 3.05Å; G262-Q266 PolarHBondContact O-N 3.47Å
263	A	88.3	Confident	86.8	Confident	15 Å²	15	57.2 Å²	57.2	12%	0.124	32%	0.319	C	S	.	.	H	α-helix	trans	-55.2	-47.2	-170.3	0	0	0	0	0	114.4	E228 A265 Q266 D267	E228-A263 WeakPolarHBondContact O-CB 3.41Å; A263-A265 VanDerWaalsContact C-N 3.27Å; A263-A265 PolarHBondContact O-N 2.88Å; A263-Q266 PolarHBondContact O-N 2.96Å; A263-Q266 VanDerWaalsContact O-N 3.07Å; A263-D267 PolarHBondContact O-N 3.15Å
264	A	90.8	Very high	86.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-31.4	175.3	0	0	0	0	0	114	L227 L234 F236 I258 G262 G268 L270	L227-A264 HydrophobicContact CD1-CB 3.91Å; L234-A264 WeakPolarHBondContact O-CB 3.42Å; L234-A264 PolarHBondContact O-N 3.23Å; F236-A264 HydrophobicContact CB-CB 4.36Å; F236-A264 HydrophobicContact CD1-CB 3.95Å; I258-A264 HydrophobicContact CG2-CB 4.5Å; G262-A264 PolarHBondContact O-N 3.24Å; A264-G268 PolarHBondContact O-N 2.93Å; A264-L270 HydrophobicContact CB-CB 4.36Å; A264-L270 HydrophobicContact CB-CD2 3.76Å
265	A	86.7	Confident	86.8	Confident	39 Å²	39	56.7 Å²	56.7	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-76.8	-24.5	175.2	0	0	0	0	0	112.9	I258 I259 G262 A263	I258-A265 HydrophobicContact CG2-CB 3.71Å; I259-A265 VanDerWaalsContact O-CB 3.27Å; I259-A265 WeakPolarHBondContact O-CB 3.26Å; G262-A265 WeakPolarHBondContact O-CA 3.49Å; G262-A265 WeakPolarHBondContact O-CB 3.44Å; G262-A265 PolarHBondContact O-N 3.05Å; A263-A265 VanDerWaalsContact C-N 3.27Å; A263-A265 PolarHBondContact O-N 2.88Å
266	Q	86.7	Confident	87	Confident	152 Å²	152	56.8 Å²	56.8	71%	0.71	32%	0.318	S	S	*	.	H	α-helix	trans	-81	-35.7	175	-64.7	-179.9	27.4	0	0	112	G261 G262 A263	G261-Q266 PolarHBondContact O-NE2 3.34Å; G262-Q266 PolarHBondContact O-N 3.47Å; A263-Q266 PolarHBondContact O-N 2.96Å; A263-Q266 VanDerWaalsContact O-N 3.07Å
267	D	91.6	Very high	87.4	Confident	55 Å²	55	55.3 Å²	55.3	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-71.3	-41	171.7	178.7	-86	0	0	0	112.1	L227 A263 R269	L227-D267 HydrophobicContact CD2-CB 3.49Å; L227-D267 VanDerWaalsContact CD2-CB 3.49Å; A263-D267 PolarHBondContact O-N 3.15Å; D267-R269 PolarHBondContact O-N 2.81Å; D267-R269 VanDerWaalsContact OD1-CB 3.26Å; D267-R269 WeakPolarHBondContact OD1-CB 3.06Å; D267-R269 WeakPolarHBondContact OD1-CG 3.49Å; D267-R269 IonicContact OD1-CZ 3.23Å; D267-R269 PolarHBondContact OD1-N 2.82Å; D267-R269 VanDerWaalsContact OD1-N 3.16Å; D267-R269 IonicContact OD1-NE 3.27Å; D267-R269 PolarHBondContact OD1-NE 2.88Å; D267-R269 IonicContact OD1-NH2 3.91Å; D267-R269 IonicContact OD2-CZ 2.67Å; D267-R269 IonicContact OD2-NE 2.97Å; D267-R269 PolarHBondContact OD2-NE 2.93Å; D267-R269 IonicContact OD2-NH2 3.87Å; D267-R269 PolarHBondContact OD2-NH2 3.12Å
268	G	84.8	Confident	88	Confident	52 Å²	52	52.3 Å²	52.3	54%	0.536	29%	0.293	S	S	.	.			trans	74.9	-3.9	170.9	0	0	0	0	0	116.3	A264	A264-G268 PolarHBondContact O-N 2.93Å
269	R	87.9	Confident	88.5	Confident	95 Å²	95	50.6 Å²	50.6	36%	0.358	28%	0.284	S	S	.	.			trans	-82.8	-32.5	177.6	-62.5	176.1	-71.9	166.3	-9.4	113.5	I225 D267 R309	I225-R269 HydrophobicContact CD1-CB 4.09Å; I225-R269 HydrophobicContact CG1-CB 4.27Å; I225-R269 HydrophobicContact CG2-CB 4.41Å; D267-R269 PolarHBondContact O-N 2.81Å; D267-R269 VanDerWaalsContact OD1-CB 3.26Å; D267-R269 WeakPolarHBondContact OD1-CB 3.06Å; D267-R269 WeakPolarHBondContact OD1-CG 3.49Å; D267-R269 IonicContact OD1-CZ 3.23Å; D267-R269 PolarHBondContact OD1-N 2.82Å; D267-R269 VanDerWaalsContact OD1-N 3.16Å; D267-R269 IonicContact OD1-NE 3.27Å; D267-R269 PolarHBondContact OD1-NE 2.88Å; D267-R269 IonicContact OD1-NH2 3.91Å; D267-R269 IonicContact OD2-CZ 2.67Å; D267-R269 IonicContact OD2-NE 2.97Å; D267-R269 PolarHBondContact OD2-NE 2.93Å; D267-R269 IonicContact OD2-NH2 3.87Å; D267-R269 PolarHBondContact OD2-NH2 3.12Å; R269-R309 PolarHBondContact O-NH2 2.81Å
270	L	90.8	Very high	88.9	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	28%	0.275	C	S	.	.			trans	-68.1	141.9	175.8	-164.5	72.3	0	0	0	109.3	I225 L227 F236 I255 I258 A264 D274 L305 V307	I225-L270 HydrophobicContact CD1-CB 4.15Å; I225-L270 HydrophobicContact CD1-CD1 3.84Å; L227-L270 HydrophobicContact CD1-CD2 4.41Å; F236-L270 HydrophobicContact CB-CD2 4.08Å; F236-L270 HydrophobicContact CD1-CD2 3.59Å; F236-L270 HydrophobicContact CE1-CD2 4.05Å; F236-L270 HydrophobicContact CG-CD2 3.83Å; I255-L270 HydrophobicContact CD1-CD1 4.29Å; I255-L270 HydrophobicContact CD1-CD2 3.92Å; I255-L270 HydrophobicContact CD1-CG 4.39Å; I255-L270 HydrophobicContact CG1-CD1 4.13Å; I255-L270 HydrophobicContact CG1-CD2 4.25Å; I255-L270 HydrophobicContact CG1-CG 4.22Å; I258-L270 HydrophobicContact CD1-CB 4.32Å; I258-L270 HydrophobicContact CD1-CG 4.43Å; I258-L270 WeakPolarHBondContact CD1-O 3.44Å; A264-L270 HydrophobicContact CB-CB 4.36Å; A264-L270 HydrophobicContact CB-CD2 3.76Å; L270-D274 HydrophobicContact CD1-CB 4.46Å; L270-L305 HydrophobicContact CD1-CD1 4.18Å; L270-L305 HydrophobicContact CD2-CD1 4.39Å; L270-V307 HydrophobicContact CD1-CG1 4.08Å
271	R	87.8	Confident	89.4	Confident	121 Å²	121	49 Å²	49	46%	0.457	27%	0.267	S	S	.	.			trans	-128.4	157.8	-179.5	-54.3	179.1	-168.4	148.2	9.6	110.9	E221 I255 D274 R309	E221-R271 IonicContact OE1-NH1 2.79Å; E221-R271 PolarHBondContact OE1-NH1 2.91Å; I255-R271 WeakPolarHBondContact CB-O 3.5Å; I255-R271 WeakPolarHBondContact CG2-O 3.31Å; R271-D274 PolarHBondContact N-OD2 3.23Å; R271-D274 VanDerWaalsContact O-CB 3.31Å; R271-D274 WeakPolarHBondContact O-CB 3.48Å; R271-D274 PolarHBondContact O-N 3.25Å; R271-R309 VanDerWaalsContact CZ-NH1 3.28Å; R271-R309 VanDerWaalsContact NH1-CD 3.31Å
272	V	83.6	Confident	89.9	Confident	67 Å²	67	48.6 Å²	48.6	41%	0.406	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	144.6	167.3	177.9	0	0	0	0	108.6	I258 D274	I258-V272 HydrophobicContact CD1-CG2 4.48Å; I258-V272 HydrophobicContact CG1-CG2 4.27Å; V272-D274 PolarHBondContact O-N 3.47Å
273	N	84.4	Confident	90.3	Very high	93 Å²	93	51.8 Å²	51.8	50%	0.497	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	3.9	-170.5	-50.8	-37.5	0	0	0	115.9	I255	I255-N273 PolarHBondContact O-N 2.84Å
274	D	91	Very high	90.5	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.011	27%	0.27	C	S	.	.			trans	-59.9	136.7	162.2	-73.9	-4	0	0	0	109.4	F254 I255 L270 R271 V272 V307 R309	F254-D274 CarbonylContact C-O 3.6Å; F254-D274 WeakPolarHBondContact CA-O 3.28Å; I255-D274 HydrophobicContact CB-CB 4.33Å; I255-D274 HydrophobicContact CG1-CB 3.79Å; I255-D274 WeakPolarHBondContact CG1-O 3.44Å; I255-D274 PolarHBondContact N-O 2.9Å; L270-D274 HydrophobicContact CD1-CB 4.46Å; R271-D274 PolarHBondContact N-OD2 3.23Å; R271-D274 VanDerWaalsContact O-CB 3.31Å; R271-D274 WeakPolarHBondContact O-CB 3.48Å; R271-D274 PolarHBondContact O-N 3.25Å; V272-D274 PolarHBondContact O-N 3.47Å; D274-V307 HydrophobicContact CB-CB 4.22Å; D274-V307 HydrophobicContact CB-CG1 4.32Å; D274-R309 WeakPolarHBondContact OD1-CB 3.44Å; D274-R309 IonicContact OD1-CZ 2.73Å; D274-R309 IonicContact OD1-NE 2.71Å; D274-R309 PolarHBondContact OD1-NE 3.5Å; D274-R309 IonicContact OD1-NH2 2.64Å; D274-R309 PolarHBondContact OD1-NH2 2.89Å; D274-R309 IonicContact OD2-CZ 2.83Å; D274-R309 IonicContact OD2-NE 3.67Å; D274-R309 IonicContact OD2-NH2 3.36Å; D274-R309 PolarHBondContact OD2-NH2 2.94Å
275	C	93.1	Very high	90.6	Very high	7 Å²	7	58 Å²	58	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.2	175.4	-20.2	0	0	0	0	109.9	I253 F254 V307 K308	I253-C275 CarbonylContact O-C 3.56Å; I253-C275 WeakPolarHBondContact O-CA 3.21Å; F254-C275 HydrophobicContact CD1-CB 4.2Å; F254-C275 HydrophobicContact CE1-CB 4.3Å; F254-C275 WeakPolarHBondContact CE1-SG 3.36Å; C275-V307 CarbonylContact O-C 3.6Å; C275-V307 VanDerWaalsContact O-CA 3.26Å; C275-V307 WeakPolarHBondContact O-CA 3.18Å; C275-K308 HydrophobicContact CB-CD 4.14Å; C275-K308 HydrophobicContact CB-CG 3.61Å; C275-K308 PolarHBondContact N-O 3Å; C275-K308 PolarHBondContact O-N 3.21Å; C275-K308 VanDerWaalsContact SG-CE 3.54Å
276	I	95.2	Very high	90.5	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.3	177.2	-46.5	179.2	0	0	0	109.1	F236 I238 I253 I255 V279 V284 L296 L305 V307	F236-I276 HydrophobicContact CE2-CD1 4.05Å; F236-I276 HydrophobicContact CZ-CD1 4.43Å; I238-I276 HydrophobicContact CG2-CD1 3.78Å; I253-I276 HydrophobicContact CB-CB 4.43Å; I253-I276 HydrophobicContact CG2-CB 4.44Å; I253-I276 HydrophobicContact CG2-CD1 4.31Å; I253-I276 PolarHBondContact O-N 3.42Å; I255-I276 HydrophobicContact CD1-CD1 3.78Å; I255-I276 HydrophobicContact CD1-CG1 3.93Å; I255-I276 HydrophobicContact CG1-CG1 4.48Å; I276-V279 HydrophobicContact CG2-CG2 3.75Å; I276-V284 HydrophobicContact CB-CG2 4.2Å; I276-V284 HydrophobicContact CG2-CG2 3.71Å; I276-L296 HydrophobicContact CD1-CD1 4.4Å; I276-L305 HydrophobicContact CD1-CD2 4.49Å; I276-L305 HydrophobicContact CG2-CD2 4.31Å; I276-V307 HydrophobicContact CG1-CG1 4.4Å
277	L	94.4	Very high	90.7	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.105	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-33.9	175.7	-57.9	179.9	0	0	0	112.2	Y222 D283 V284 R285 Y306 K308	Y222-L277 HydrophobicContact CD1-CD1 3.93Å; Y222-L277 HydrophobicContact CE1-CD1 3.61Å; L277-D283 VanDerWaalsContact O-OD1 3.13Å; L277-V284 PolarHBondContact O-N 2.83Å; L277-R285 HydrophobicContact CB-CG 4.19Å; L277-R285 HydrophobicContact CD2-CG 3.77Å; L277-Y306 HydrophobicContact CB-CD1 4.15Å; L277-Y306 HydrophobicContact CD1-CD1 4.14Å; L277-Y306 HydrophobicContact CD1-CE1 4.21Å; L277-Y306 PolarHBondContact N-O 3.03Å; L277-K308 HydrophobicContact CD1-CB 3.99Å; L277-K308 HydrophobicContact CD1-CD 4.49Å; L277-K308 HydrophobicContact CD1-CG 4.11Å; L277-K308 HydrophobicContact CD2-CD 3.95Å; L277-K308 HydrophobicContact CD2-CG 3.97Å; L277-K308 HydrophobicContact CG-CB 4.47Å; L277-K308 HydrophobicContact CG-CG 4.13Å
278	R	95.7	Very high	90.6	Very high	65 Å²	65	54.4 Å²	54.4	25%	0.245	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.4	179	170.6	176.8	57.4	83.4	0.6	111	E224 N280 A282 L305 Y306	E224-R278 IonicContact OE2-CZ 3.09Å; E224-R278 IonicContact OE2-NH1 3.85Å; E224-R278 PolarHBondContact OE2-NH1 2.82Å; E224-R278 VanDerWaalsContact OE2-NH1 3.09Å; E224-R278 IonicContact OE2-NH2 3.37Å; E224-R278 PolarHBondContact OE2-NH2 3.03Å; R278-N280 VanDerWaalsContact CD-O 3.25Å; R278-N280 WeakPolarHBondContact CD-O 3.1Å; R278-N280 WeakPolarHBondContact CG-O 3.48Å; R278-N280 PolarHBondContact NH1-O 3.16Å; R278-A282 CarbonylContact C-O 3.55Å; R278-A282 VanDerWaalsContact CA-O 3.31Å; R278-A282 WeakPolarHBondContact CA-O 3.42Å; R278-A282 WeakPolarHBondContact CG-O 3.33Å; R278-L305 WeakPolarHBondContact O-CA 3.48Å; R278-Y306 PolarHBondContact N-O 3.32Å; R278-Y306 PolarHBondContact O-N 3.01Å
279	V	95.9	Very high	90.9	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	112.4	175.9	-177.2	0	0	0	0	108.4	I276 E281 A282 V284 A295 L296 A299 V303 R304 L305	I276-V279 HydrophobicContact CG2-CG2 3.75Å; V279-E281 PolarHBondContact O-N 3.13Å; V279-E281 VanDerWaalsContact O-N 3.08Å; V279-A282 PolarHBondContact N-O 3.24Å; V279-A282 WeakPolarHBondContact O-CB 3.38Å; V279-A282 PolarHBondContact O-N 3.19Å; V279-V284 HydrophobicContact CG2-CG1 4.08Å; V279-V284 HydrophobicContact CG2-CG2 4.14Å; V279-A295 HydrophobicContact CB-CB 4.17Å; V279-A295 HydrophobicContact CG1-CB 4.45Å; V279-L296 HydrophobicContact CG1-CD2 3.83Å; V279-L296 HydrophobicContact CG1-CG 4.35Å; V279-L296 HydrophobicContact CG2-CD2 3.88Å; V279-L296 HydrophobicContact CG2-CG 4.17Å; V279-A299 HydrophobicContact CG1-CB 3.84Å; V279-V303 HydrophobicContact CG1-CG1 3.82Å; V279-R304 WeakPolarHBondContact CA-O 3.39Å; V279-L305 HydrophobicContact CB-CD2 4.5Å; V279-L305 HydrophobicContact CG1-CD2 4.24Å; V279-L305 HydrophobicContact CG2-CD2 3.99Å
280	N	93.7	Very high	91.1	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	-110.2	-164.3	-70	-3.4	0	0	0	110.8	R278 A299 I302 V303 R304	R278-N280 VanDerWaalsContact CD-O 3.25Å; R278-N280 WeakPolarHBondContact CD-O 3.1Å; R278-N280 WeakPolarHBondContact CG-O 3.48Å; R278-N280 PolarHBondContact NH1-O 3.16Å; N280-A299 WeakPolarHBondContact ND2-CA 3.07Å; N280-A299 WeakPolarHBondContact ND2-CB 3.48Å; N280-A299 PolarHBondContact ND2-O 3.43Å; N280-I302 PolarHBondContact ND2-O 2.75Å; N280-V303 WeakPolarHBondContact OD1-CA 3.3Å; N280-R304 PolarHBondContact N-O 2.74Å; N280-R304 PolarHBondContact OD1-N 2.79Å
281	E	90.1	Very high	91.1	Very high	147 Å²	147	57.9 Å²	57.9	69%	0.687	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-2.6	178.3	-47.8	-52.2	134.8	0	0	112.8	V279 R304	V279-E281 PolarHBondContact O-N 3.13Å; V279-E281 VanDerWaalsContact O-N 3.08Å; E281-R304 IonicContact OE1-NH1 3Å
282	A	90.6	Very high	91.3	Very high	42 Å²	42	52.2 Å²	52.2	35%	0.347	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.4	-177.7	0	0	0	0	0	111.6	R278 V279 A295	R278-A282 CarbonylContact C-O 3.55Å; R278-A282 VanDerWaalsContact CA-O 3.31Å; R278-A282 WeakPolarHBondContact CA-O 3.42Å; R278-A282 WeakPolarHBondContact CG-O 3.33Å; V279-A282 PolarHBondContact N-O 3.24Å; V279-A282 WeakPolarHBondContact O-CB 3.38Å; V279-A282 PolarHBondContact O-N 3.19Å; A282-A295 HydrophobicContact CB-CB 4.1Å
283	D	93.2	Very high	91.7	Very high	71 Å²	71	50.9 Å²	50.9	38%	0.38	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.9	170.1	-160.5	-25.8	0	0	0	110.3	L277 R285	L277-D283 VanDerWaalsContact O-OD1 3.13Å; D283-R285 WeakPolarHBondContact OD1-CB 3.36Å; D283-R285 WeakPolarHBondContact OD1-CG 3.41Å; D283-R285 IonicContact OD1-CZ 3.94Å; D283-R285 PolarHBondContact OD1-N 3.14Å; D283-R285 IonicContact OD1-NE 2.73Å; D283-R285 PolarHBondContact OD1-NE 2.92Å; D283-R285 IonicContact OD1-NH2 3.94Å; D283-R285 IonicContact OD2-CZ 3.81Å; D283-R285 IonicContact OD2-NE 2.9Å; D283-R285 PolarHBondContact OD2-NE 2.99Å; D283-R285 IonicContact OD2-NH2 3.82Å; D283-R285 PolarHBondContact OD2-NH2 2.85Å
284	V	93.5	Very high	92.1	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.018	26%	0.26	C	S	.	.			trans	-122.7	21.4	-180	-61.4	0	0	0	0	112.3	I253 I276 L277 V279 V287 A292 A295	I253-V284 HydrophobicContact CG1-CB 4.49Å; I276-V284 HydrophobicContact CB-CG2 4.2Å; I276-V284 HydrophobicContact CG2-CG2 3.71Å; L277-V284 PolarHBondContact O-N 2.83Å; V279-V284 HydrophobicContact CG2-CG1 4.08Å; V279-V284 HydrophobicContact CG2-CG2 4.14Å; V284-V287 HydrophobicContact CB-CG2 4.04Å; V284-V287 WeakPolarHBondContact O-CG2 3.17Å; V284-A292 HydrophobicContact CB-CB 4.44Å; V284-A292 HydrophobicContact CG1-CB 4.47Å; V284-A295 HydrophobicContact CG1-CB 3.95Å
285	R	91.2	Very high	92.2	Very high	143 Å²	143	52 Å²	52	54%	0.54	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	137.7	164.5	-62.3	175.7	-68.2	168.6	1.2	110.1	L277 D283 V287	L277-R285 HydrophobicContact CB-CG 4.19Å; L277-R285 HydrophobicContact CD2-CG 3.77Å; D283-R285 WeakPolarHBondContact OD1-CB 3.36Å; D283-R285 WeakPolarHBondContact OD1-CG 3.41Å; D283-R285 IonicContact OD1-CZ 3.94Å; D283-R285 PolarHBondContact OD1-N 3.14Å; D283-R285 IonicContact OD1-NE 2.73Å; D283-R285 PolarHBondContact OD1-NE 2.92Å; D283-R285 IonicContact OD1-NH2 3.94Å; D283-R285 IonicContact OD2-CZ 3.81Å; D283-R285 IonicContact OD2-NE 2.9Å; D283-R285 PolarHBondContact OD2-NE 2.99Å; D283-R285 IonicContact OD2-NH2 3.82Å; D283-R285 PolarHBondContact OD2-NH2 2.85Å; R285-V287 WeakPolarHBondContact O-CG1 3.31Å; R285-V287 PolarHBondContact O-N 2.96Å
286	D	85.8	Confident	92.3	Very high	111 Å²	111	52.6 Å²	52.6	59%	0.594	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42	175.4	-56.1	-57.2	0	0	0	114	T242 S251	T242-D286 VanDerWaalsContact CG2-C 3.45Å; T242-D286 HydrophobicContact CG2-CB 4.25Å; S251-D286 WeakPolarHBondContact CB-OD1 3.33Å; S251-D286 PolarHBondContact OG-OD1 3.43Å
287	V	89.9	Confident	92	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.055	30%	0.295	C	S	.	.			trans	-108.5	162	173.3	-59.1	0	0	0	0	111.4	G241 T242 I253 V284 R285 K291 A292	G241-V287 CarbonylContact C-O 3.51Å; G241-V287 WeakPolarHBondContact CA-O 3.16Å; T242-V287 PolarHBondContact N-O 3.31Å; I253-V287 HydrophobicContact CD1-CG2 4.34Å; I253-V287 HydrophobicContact CG1-CG2 4.45Å; V284-V287 HydrophobicContact CB-CG2 4.04Å; V284-V287 WeakPolarHBondContact O-CG2 3.17Å; R285-V287 WeakPolarHBondContact O-CG1 3.31Å; R285-V287 PolarHBondContact O-N 2.96Å; V287-K291 HydrophobicContact CB-CB 4.21Å; V287-K291 HydrophobicContact CB-CD 3.99Å; V287-K291 HydrophobicContact CB-CG 4.26Å; V287-K291 HydrophobicContact CG1-CD 3.83Å; V287-K291 HydrophobicContact CG1-CG 4.38Å; V287-A292 HydrophobicContact CG2-CB 3.99Å
288	T	90.9	Very high	91.9	Very high	49 Å²	49	66.2 Å²	66.2	30%	0.301	33%	0.328	S	S	.	.			trans	-66	150.1	165.9	55.9	0	0	0	0	111.1	D243 S290 K291 A292	D243-T288 HydrophobicContact CB-CG2 4.11Å; D243-T288 VanDerWaalsContact OD1-CA 3.28Å; D243-T288 WeakPolarHBondContact OD1-CA 3.43Å; D243-T288 WeakPolarHBondContact OD2-CB 3.43Å; T288-S290 WeakPolarHBondContact CB-OG 3.07Å; T288-S290 PolarHBondContact O-N 3.07Å; T288-S290 PolarHBondContact OG1-OG 3.3Å; T288-K291 PolarHBondContact O-N 3.34Å; T288-A292 PolarHBondContact O-N 3.39Å
289	H	90.1	Very high	91.5	Very high	51 Å²	51	63.8 Å²	63.8	24%	0.236	32%	0.321	C	S	.	.	H	α-helix	trans	-52.5	-41.6	176.6	-173.8	78	0	0	0	111.6	G240 D243 K291 A292 V293	G240-H289 WeakPolarHBondContact O-CB 3.48Å; G240-H289 PolarHBondContact O-ND1 2.97Å; D243-H289 PolarHBondContact OD1-N 3.05Å; D243-H289 PolarHBondContact OD2-N 2.95Å; H289-K291 PolarHBondContact O-N 2.95Å; H289-A292 PolarHBondContact O-N 3.05Å; H289-V293 WeakPolarHBondContact O-CG2 3.29Å; H289-V293 PolarHBondContact O-N 3.24Å
290	S	91.6	Very high	91	Very high	61 Å²	61	65.2 Å²	65.2	43%	0.427	34%	0.337	S	S	.	.	H	α-helix	trans	-53.9	-47.8	174.5	49.9	0	0	0	0	113.2	T288 V293 E294	T288-S290 WeakPolarHBondContact CB-OG 3.07Å; T288-S290 PolarHBondContact O-N 3.07Å; T288-S290 PolarHBondContact OG1-OG 3.3Å; S290-V293 WeakPolarHBondContact O-CB 3.39Å; S290-V293 PolarHBondContact O-N 2.85Å; S290-E294 WeakPolarHBondContact O-CG 3.32Å; S290-E294 PolarHBondContact O-N 2.96Å
291	K	91.6	Very high	90.7	Very high	113 Å²	113	67.6 Å²	67.6	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-70.3	-33.6	-177.8	-179.2	176.4	169.7	-158.6	0	112.3	V287 T288 H289 E294 A295	V287-K291 HydrophobicContact CB-CB 4.21Å; V287-K291 HydrophobicContact CB-CD 3.99Å; V287-K291 HydrophobicContact CB-CG 4.26Å; V287-K291 HydrophobicContact CG1-CD 3.83Å; V287-K291 HydrophobicContact CG1-CG 4.38Å; T288-K291 PolarHBondContact O-N 3.34Å; H289-K291 PolarHBondContact O-N 2.95Å; K291-E294 PolarHBondContact O-N 2.85Å; K291-A295 PolarHBondContact O-N 2.82Å
292	A	92	Very high	90.8	Very high	2 Å²	2	65.2 Å²	65.2	2%	0.017	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-40.2	171.3	0	0	0	0	0	112	I238 I253 V284 V287 T288 H289 L296	I238-A292 HydrophobicContact CD1-CB 4.22Å; I253-A292 HydrophobicContact CD1-CB 3.6Å; I253-A292 HydrophobicContact CG1-CB 3.71Å; I253-A292 HydrophobicContact CG2-CB 4.21Å; V284-A292 HydrophobicContact CB-CB 4.44Å; V284-A292 HydrophobicContact CG1-CB 4.47Å; V287-A292 HydrophobicContact CG2-CB 3.99Å; T288-A292 PolarHBondContact O-N 3.39Å; H289-A292 PolarHBondContact O-N 3.05Å; A292-L296 WeakPolarHBondContact O-CG 3.41Å; A292-L296 PolarHBondContact O-N 3.16Å; A292-L296 VanDerWaalsContact O-N 3.16Å
293	V	92.1	Very high	91	Very high	39 Å²	39	63.2 Å²	63.2	24%	0.236	33%	0.331	C	S	.	.	H	α-helix	trans	-66.1	-36.8	174	169.9	0	0	0	0	111.9	I238 H289 S290 L296 K297	I238-V293 HydrophobicContact CD1-CG2 3.88Å; I238-V293 HydrophobicContact CG1-CG2 4.45Å; H289-V293 WeakPolarHBondContact O-CG2 3.29Å; H289-V293 PolarHBondContact O-N 3.24Å; S290-V293 WeakPolarHBondContact O-CB 3.39Å; S290-V293 PolarHBondContact O-N 2.85Å; V293-L296 PolarHBondContact O-N 3.43Å; V293-K297 HydrophobicContact CG1-CD 4.17Å; V293-K297 VanDerWaalsContact CG1-CE 3.5Å; V293-K297 WeakPolarHBondContact O-CG 3.48Å; V293-K297 PolarHBondContact O-N 3.37Å; V293-K297 VanDerWaalsContact O-N 3.12Å
294	E	92.7	Very high	91.1	Very high	107 Å²	107	65 Å²	65	50%	0.5	33%	0.332	S	S	.	.	H	α-helix	trans	-64	-48.9	174.2	-75.4	170.2	168.5	0	0	111.6	S290 K291 L296 K297 E298	S290-E294 WeakPolarHBondContact O-CG 3.32Å; S290-E294 PolarHBondContact O-N 2.96Å; K291-E294 PolarHBondContact O-N 2.85Å; E294-L296 VanDerWaalsContact C-N 3.27Å; E294-L296 PolarHBondContact O-N 2.77Å; E294-K297 WeakPolarHBondContact O-CA 3.46Å; E294-K297 WeakPolarHBondContact O-CB 3.41Å; E294-K297 PolarHBondContact O-N 2.88Å; E294-E298 PolarHBondContact O-N 3.27Å
295	A	94.1	Very high	91.2	Very high	13 Å²	13	64.9 Å²	64.9	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-55.8	-40.8	175.2	0	0	0	0	0	112.5	V279 A282 V284 K291 K297 A299	V279-A295 HydrophobicContact CB-CB 4.17Å; V279-A295 HydrophobicContact CG1-CB 4.45Å; A282-A295 HydrophobicContact CB-CB 4.1Å; V284-A295 HydrophobicContact CG1-CB 3.95Å; K291-A295 PolarHBondContact O-N 2.82Å; A295-K297 VanDerWaalsContact C-N 3.31Å; A295-K297 PolarHBondContact O-N 2.8Å; A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.43Å; A295-A299 PolarHBondContact O-N 2.8Å
296	L	93.9	Very high	91.4	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-69.5	-21.6	175.4	-72.7	169.4	0	0	0	114.3	R229 L234 F236 I238 I276 V279 A292 V293 E294 V303 L305	R229-L296 PolarHBondContact NH1-O 3.01Å; R229-L296 VanDerWaalsContact NH1-O 3.16Å; R229-L296 PolarHBondContact NH2-O 3.16Å; L234-L296 HydrophobicContact CD1-CD2 4.06Å; F236-L296 HydrophobicContact CE2-CD1 4.22Å; F236-L296 HydrophobicContact CE2-CD2 4.41Å; F236-L296 HydrophobicContact CZ-CD1 4.5Å; F236-L296 HydrophobicContact CZ-CD2 3.9Å; I238-L296 HydrophobicContact CD1-CD1 3.72Å; I238-L296 HydrophobicContact CG1-CD1 4.34Å; I238-L296 HydrophobicContact CG2-CD1 4.37Å; I276-L296 HydrophobicContact CD1-CD1 4.4Å; V279-L296 HydrophobicContact CG1-CD2 3.83Å; V279-L296 HydrophobicContact CG1-CG 4.35Å; V279-L296 HydrophobicContact CG2-CD2 3.88Å; V279-L296 HydrophobicContact CG2-CG 4.17Å; A292-L296 WeakPolarHBondContact O-CG 3.41Å; A292-L296 PolarHBondContact O-N 3.16Å; A292-L296 VanDerWaalsContact O-N 3.16Å; V293-L296 PolarHBondContact O-N 3.43Å; E294-L296 VanDerWaalsContact C-N 3.27Å; E294-L296 PolarHBondContact O-N 2.77Å; L296-V303 HydrophobicContact CD2-CG1 4.42Å; L296-L305 HydrophobicContact CD2-CD2 3.8Å
297	K	89.7	Confident	91.8	Very high	141 Å²	141	56.6 Å²	56.6	61%	0.613	29%	0.292	S	S	*	.	H	α-helix	trans	-82.2	-48.7	172.1	-72.2	165	179.9	171.1	0	111.1	V293 E294 A295 A299	V293-K297 HydrophobicContact CG1-CD 4.17Å; V293-K297 VanDerWaalsContact CG1-CE 3.5Å; V293-K297 WeakPolarHBondContact O-CG 3.48Å; V293-K297 PolarHBondContact O-N 3.37Å; V293-K297 VanDerWaalsContact O-N 3.12Å; E294-K297 WeakPolarHBondContact O-CA 3.46Å; E294-K297 WeakPolarHBondContact O-CB 3.41Å; E294-K297 PolarHBondContact O-N 2.88Å; A295-K297 VanDerWaalsContact C-N 3.31Å; A295-K297 PolarHBondContact O-N 2.8Å; K297-A299 VanDerWaalsContact C-N 3.3Å; K297-A299 PolarHBondContact O-N 2.87Å
298	E	91.1	Very high	91.8	Very high	167 Å²	167	57.9 Å²	57.9	78%	0.78	30%	0.297	S	S	*	.	H	α-helix	trans	-69.6	-23.9	-176.3	-67	-171.1	155.9	0	0	113.7	E294 G300	E294-E298 PolarHBondContact O-N 3.27Å; E298-G300 PolarHBondContact O-N 2.95Å
299	A	87.4	Confident	91.5	Very high	13 Å²	13	56.1 Å²	56.1	11%	0.107	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-5.7	178.9	0	0	0	0	0	115.9	V279 N280 A295 K297 I302 V303	V279-A299 HydrophobicContact CG1-CB 3.84Å; N280-A299 WeakPolarHBondContact ND2-CA 3.07Å; N280-A299 WeakPolarHBondContact ND2-CB 3.48Å; N280-A299 PolarHBondContact ND2-O 3.43Å; A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.43Å; A295-A299 PolarHBondContact O-N 2.8Å; K297-A299 VanDerWaalsContact C-N 3.3Å; K297-A299 PolarHBondContact O-N 2.87Å; A299-I302 VanDerWaalsContact O-O 3.1Å; A299-V303 HydrophobicContact CB-CB 4.25Å; A299-V303 HydrophobicContact CB-CG1 3.85Å; A299-V303 HydrophobicContact CB-CG2 3.66Å
300	G	86.3	Confident	90.7	Very high	34 Å²	34	62.2 Å²	62.2	35%	0.351	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-153.9	170.1	0	0	0	0	0	114	R229 E298	R229-G300 VanDerWaalsContact CZ-O 3.24Å; R229-G300 PolarHBondContact NE-O 2.81Å; R229-G300 PolarHBondContact NH2-O 3.2Å; E298-G300 PolarHBondContact O-N 2.95Å
301	S	87.6	Confident	89.2	Confident	85 Å²	85	63.6 Å²	63.6	59%	0.594	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.1	-173.3	-48.9	0	0	0	0	114.6	E228 R229	E228-S301 CarbonylContact C-O 3.55Å; E228-S301 WeakPolarHBondContact CA-O 3.39Å; R229-S301 PolarHBondContact N-O 2.81Å
302	I	90.8	Very high	87.2	Confident	97 Å²	97	63.6 Å²	63.6	50%	0.497	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	117.9	179.6	-59.3	176.1	0	0	0	107.8	T226 N280 A299	T226-I302 HydrophobicContact CG2-CG2 3.53Å; N280-I302 PolarHBondContact ND2-O 2.75Å; A299-I302 VanDerWaalsContact O-O 3.1Å
303	V	95.2	Very high	85.3	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.3	-171.3	-175.6	0	0	0	0	109.6	T226 L227 L234 V279 N280 L296 A299 L305	T226-V303 WeakPolarHBondContact CA-O 3.47Å; L227-V303 PolarHBondContact N-O 3.24Å; L227-V303 PolarHBondContact O-N 2.85Å; L234-V303 HydrophobicContact CD1-CB 4.21Å; L234-V303 HydrophobicContact CD1-CG1 4.07Å; L234-V303 HydrophobicContact CD1-CG2 4.09Å; L234-V303 HydrophobicContact CD2-CB 3.97Å; L234-V303 HydrophobicContact CD2-CG2 3.76Å; V279-V303 HydrophobicContact CG1-CG1 3.82Å; N280-V303 WeakPolarHBondContact OD1-CA 3.3Å; L296-V303 HydrophobicContact CD2-CG1 4.42Å; A299-V303 HydrophobicContact CB-CB 4.25Å; A299-V303 HydrophobicContact CB-CG1 3.85Å; A299-V303 HydrophobicContact CB-CG2 3.66Å; V303-L305 HydrophobicContact CG1-CD2 3.8Å; V303-L305 HydrophobicContact CG1-CG 4.35Å
304	R	95.3	Very high	83.2	Confident	108 Å²	108	70.8 Å²	70.8	41%	0.408	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.4	174.2	-44.4	-169.8	-153.3	139.5	12.4	108.8	I225 T226 V279 N280 E281	I225-R304 WeakPolarHBondContact O-CA 3.39Å; T226-R304 HydrophobicContact CG2-CG 4.2Å; V279-R304 WeakPolarHBondContact CA-O 3.39Å; N280-R304 PolarHBondContact N-O 2.74Å; N280-R304 PolarHBondContact OD1-N 2.79Å; E281-R304 IonicContact OE1-NH1 3Å
305	L	96.7	Very high	82	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.1	176.7	-56.4	177.1	0	0	0	108.5	E224 I225 L227 F236 L270 I276 R278 V279 L296 V303 V307	E224-L305 CarbonylContact C-O 3.58Å; E224-L305 WeakPolarHBondContact CA-O 3.18Å; I225-L305 PolarHBondContact N-O 3.49Å; I225-L305 PolarHBondContact O-N 3.08Å; L227-L305 HydrophobicContact CD1-CD1 4.02Å; F236-L305 HydrophobicContact CE1-CD1 3.7Å; F236-L305 HydrophobicContact CZ-CD1 3.64Å; F236-L305 HydrophobicContact CZ-CD2 4.47Å; L270-L305 HydrophobicContact CD1-CD1 4.18Å; L270-L305 HydrophobicContact CD2-CD1 4.39Å; I276-L305 HydrophobicContact CD1-CD2 4.49Å; I276-L305 HydrophobicContact CG2-CD2 4.31Å; R278-L305 WeakPolarHBondContact O-CA 3.48Å; V279-L305 HydrophobicContact CB-CD2 4.5Å; V279-L305 HydrophobicContact CG1-CD2 4.24Å; V279-L305 HydrophobicContact CG2-CD2 3.99Å; L296-L305 HydrophobicContact CD2-CD2 3.8Å; V303-L305 HydrophobicContact CG1-CD2 3.8Å; V303-L305 HydrophobicContact CG1-CG 4.35Å; L305-V307 HydrophobicContact CB-CG1 4.24Å
306	Y	95.6	Very high	80.9	Confident	80 Å²	80	77.8 Å²	77.8	31%	0.314	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.9	165	-167.9	-117.9	0	0	0	108	Y222 E224 L277 R278	Y222-Y306 WeakPolarHBondContact CB-OH 3.36Å; Y222-Y306 AromaticContact CD1-CE1 3.82Å; Y222-Y306 HydrophobicContact CD1-CE1 3.82Å; Y222-Y306 AromaticContact CD1-CZ 3.87Å; E224-Y306 HydrophobicContact CB-CD2 4.19Å; L277-Y306 HydrophobicContact CB-CD1 4.15Å; L277-Y306 HydrophobicContact CD1-CD1 4.14Å; L277-Y306 HydrophobicContact CD1-CE1 4.21Å; L277-Y306 PolarHBondContact N-O 3.03Å; R278-Y306 PolarHBondContact N-O 3.32Å; R278-Y306 PolarHBondContact O-N 3.01Å
307	V	94.1	Very high	80.4	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.4	-175.1	-61.9	0	0	0	0	111.7	Y222 E223 I225 L270 D274 C275 I276 L305	Y222-V307 VanDerWaalsContact CA-O 3.29Å; Y222-V307 WeakPolarHBondContact CA-O 3.2Å; E223-V307 HydrophobicContact CB-CG2 4.07Å; E223-V307 PolarHBondContact N-O 3.47Å; E223-V307 PolarHBondContact O-N 2.83Å; I225-V307 HydrophobicContact CD1-CG2 4Å; L270-V307 HydrophobicContact CD1-CG1 4.08Å; D274-V307 HydrophobicContact CB-CB 4.22Å; D274-V307 HydrophobicContact CB-CG1 4.32Å; C275-V307 CarbonylContact O-C 3.6Å; C275-V307 VanDerWaalsContact O-CA 3.26Å; C275-V307 WeakPolarHBondContact O-CA 3.18Å; I276-V307 HydrophobicContact CG1-CG1 4.4Å; L305-V307 HydrophobicContact CB-CG1 4.24Å
308	K	89.6	Confident	80.1	Confident	36 Å²	36	77.6 Å²	77.6	16%	0.157	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.8	159.6	59.5	172.6	179	175	0	109	Y220 Y222 S252 C275 L277	Y220-K308 HydrophobicContact CD1-CB 4.34Å; Y222-K308 HydrophobicContact CD1-CB 4.06Å; Y222-K308 HydrophobicContact CE1-CB 3.82Å; S252-K308 PolarHBondContact OG-NZ 3.46Å; C275-K308 HydrophobicContact CB-CD 4.14Å; C275-K308 HydrophobicContact CB-CG 3.61Å; C275-K308 PolarHBondContact N-O 3Å; C275-K308 PolarHBondContact O-N 3.21Å; C275-K308 VanDerWaalsContact SG-CE 3.54Å; L277-K308 HydrophobicContact CD1-CB 3.99Å; L277-K308 HydrophobicContact CD1-CD 4.49Å; L277-K308 HydrophobicContact CD1-CG 4.11Å; L277-K308 HydrophobicContact CD2-CD 3.95Å; L277-K308 HydrophobicContact CD2-CG 3.97Å; L277-K308 HydrophobicContact CG-CB 4.47Å; L277-K308 HydrophobicContact CG-CG 4.13Å
309	R	85.1	Confident	80.1	Confident	13 Å²	13	76.4 Å²	76.4	5%	0.049	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.9	164.3	67.5	168.8	72.4	110.9	-0.4	110.3	Y220 E221 E223 R269 R271 D274	Y220-R309 CarbonylContact C-O 3.51Å; Y220-R309 VanDerWaalsContact CA-O 3.24Å; Y220-R309 WeakPolarHBondContact CA-O 3.46Å; Y220-R309 WeakPolarHBondContact CD1-O 3.39Å; E221-R309 HydrophobicContact CG-CG 3.46Å; E221-R309 VanDerWaalsContact CG-CG 3.46Å; E221-R309 PolarHBondContact N-O 3.24Å; E221-R309 PolarHBondContact O-N 2.84Å; E221-R309 WeakPolarHBondContact OE1-CD 3.38Å; E221-R309 IonicContact OE1-NH1 3.68Å; E223-R309 IonicContact OE2-CZ 3.28Å; E223-R309 IonicContact OE2-NH1 2.77Å; E223-R309 PolarHBondContact OE2-NH1 3.28Å; E223-R309 IonicContact OE2-NH2 2.71Å; E223-R309 PolarHBondContact OE2-NH2 3.48Å; R269-R309 PolarHBondContact O-NH2 2.81Å; R271-R309 VanDerWaalsContact CZ-NH1 3.28Å; R271-R309 VanDerWaalsContact NH1-CD 3.31Å; D274-R309 WeakPolarHBondContact OD1-CB 3.44Å; D274-R309 IonicContact OD1-CZ 2.73Å; D274-R309 IonicContact OD1-NE 2.71Å; D274-R309 PolarHBondContact OD1-NE 3.5Å; D274-R309 IonicContact OD1-NH2 2.64Å; D274-R309 PolarHBondContact OD1-NH2 2.89Å; D274-R309 IonicContact OD2-CZ 2.83Å; D274-R309 IonicContact OD2-NE 3.67Å; D274-R309 IonicContact OD2-NH2 3.36Å; D274-R309 PolarHBondContact OD2-NH2 2.94Å
310	R	72.5	Confident	80.3	Confident	178 Å²	178	75.9 Å²	75.9	67%	0.672	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	136.7	177.3	-65.7	-176.5	69.5	169.1	2.8	110.3	Y220	Y220-R310 HydrophobicContact CD1-CG 3.92Å; Y220-R310 HydrophobicContact CE1-CG 3.38Å
311	K	61	Low	80.6	Confident	90 Å²	90	78.8 Å²	78.8	39%	0.391	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-67	137.6	173	-71.5	170.2	-175.7	141.1	0	109.8	A218 D219 Y220 E221 V313	A218-K311 PolarHBondContact O-NZ 3.18Å; D219-K311 PolarHBondContact O-N 3.09Å; Y220-K311 WeakPolarHBondContact O-CE 3.46Å; Y220-K311 PolarHBondContact O-NZ 3.2Å; E221-K311 HydrophobicContact CB-CG 3.87Å; E221-K311 HydrophobicContact CG-CG 4.13Å; K311-V313 PolarHBondContact O-N 3.42Å
312	P	49.3	Very low	80.8	Confident	114 Å²	114	74.9 Å²	74.9	74%	0.74	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-65.5	120.3	169.4	27.3	-32.4	0	0	0	109.4
313	V	50.7	Low	80.7	Confident	93 Å²	93	75.2 Å²	75.2	56%	0.564	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-72.5	134.1	-176.3	-178	0	0	0	0	110	K311 E315	K311-V313 PolarHBondContact O-N 3.42Å; V313-E315 PolarHBondContact O-N 2.93Å
314	S	49.5	Very low	80.3	Confident	98 Å²	98	78.2 Å²	78.2	69%	0.685	37%	0.37	S	S	*	.			trans	-68.5	103.9	173.7	58.5	0	0	0	0	111	T406	S314-T406 PolarHBondContact O-OG1 2.87Å
315	E	66.9	Low	79.6	Confident	83 Å²	83	74.4 Å²	74.4	39%	0.388	36%	0.364	S	S	.	.			trans	-70.7	140	177.9	-64.5	176.1	179.5	0	0	111.8	V313 K370 A403	V313-E315 PolarHBondContact O-N 2.93Å; E315-K370 WeakPolarHBondContact OE1-CD 3.23Å; E315-K370 WeakPolarHBondContact OE1-CE 3.42Å; E315-K370 IonicContact OE1-NZ 3.72Å; E315-K370 PolarHBondContact OE1-NZ 3.44Å; E315-K370 IonicContact OE2-NZ 2.85Å; E315-A403 HydrophobicContact CB-CB 3.92Å; E315-A403 HydrophobicContact CG-CB 4.29Å; E315-A403 WeakPolarHBondContact OE2-CB 3.38Å
316	R	70.4	Confident	78.5	Confident	185 Å²	185	81.5 Å²	81.5	70%	0.698	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	109	175.9	-178.4	179.2	176.2	-179.7	-0.5	110.6	K404	R316-K404 HydrophobicContact CB-CB 4.44Å; R316-K404 PolarHBondContact N-O 3.28Å; R316-K404 WeakPolarHBondContact O-CB 3.34Å; R316-K404 PolarHBondContact O-N 2.92Å
317	I	82.9	Confident	77.3	Confident	93 Å²	93	86.7 Å²	86.7	48%	0.477	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138.4	178.7	-56.1	179.8	0	0	0	111.2	L372 K401 V402	I317-L372 HydrophobicContact CD1-CD1 3.8Å; I317-L372 HydrophobicContact CG1-CD1 3.87Å; I317-L372 HydrophobicContact CG2-CD1 4.33Å; I317-K401 HydrophobicContact CG2-CD 4.43Å; I317-K401 HydrophobicContact CG2-CG 3.84Å; I317-V402 CarbonylContact C-O 3.2Å; I317-V402 WeakPolarHBondContact CA-O 3.46Å
318	M	84.6	Confident	77	Confident	63 Å²	63	88 Å²	88	31%	0.31	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.4	175.4	-178	170.2	67.7	0	0	110	I320 K364 V402 K404	M318-I320 HydrophobicContact CE-CD1 3.84Å; M318-I320 HydrophobicContact CE-CG1 3.91Å; M318-K364 HydrophobicContact CE-CB 4.05Å; M318-V402 PolarHBondContact N-O 2.92Å; M318-V402 PolarHBondContact O-N 2.76Å; M318-K404 HydrophobicContact CE-CD 4.46Å; M318-K404 VanDerWaalsContact CE-CE 3.42Å; M318-K404 HydrophobicContact CE-CG 4.29Å
319	E	89.5	Confident	77	Confident	141 Å²	141	87.1 Å²	87.1	66%	0.659	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.8	171.6	-69	-178	-178.7	0	0	110.9	L400 K401	E319-L400 CarbonylContact C-O 3.55Å; E319-L400 WeakPolarHBondContact CA-O 3.46Å; E319-K401 HydrophobicContact CG-CG 4.34Å
320	I	92.8	Very high	77.2	Confident	2 Å²	2	86.7 Å²	86.7	1%	0.01	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.5	-177.1	-54.3	177.6	0	0	0	108.8	M318 L322 D362 K364 L365 Y399 L400 V402	M318-I320 HydrophobicContact CE-CD1 3.84Å; M318-I320 HydrophobicContact CE-CG1 3.91Å; I320-L322 HydrophobicContact CG2-CD2 3.81Å; I320-L322 HydrophobicContact CG2-CG 4.06Å; I320-D362 WeakPolarHBondContact CG2-OD2 3.13Å; I320-K364 HydrophobicContact CD1-CB 3.89Å; I320-K364 HydrophobicContact CG1-CB 4.11Å; I320-K364 HydrophobicContact CG2-CB 4.28Å; I320-L365 HydrophobicContact CD1-CB 4.01Å; I320-L365 HydrophobicContact CD1-CD1 3.72Å; I320-Y399 CarbonylContact O-C 3.59Å; I320-Y399 WeakPolarHBondContact O-CA 3.37Å; I320-L400 HydrophobicContact CB-CB 4.46Å; I320-L400 PolarHBondContact N-O 3.42Å; I320-L400 PolarHBondContact O-N 3.03Å; I320-V402 HydrophobicContact CD1-CB 4.37Å; I320-V402 HydrophobicContact CD1-CG2 3.88Å; I320-V402 HydrophobicContact CG1-CG2 4.27Å
321	K	91.9	Very high	78.2	Confident	96 Å²	96	79.3 Å²	79.3	42%	0.417	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.3	172.4	-175.4	-178.8	-177	163.1	0	110.3	F397 V398 Y399	K321-F397 VanDerWaalsContact CE-CD1 3.5Å; K321-V398 CarbonylContact C-O 3.54Å; K321-V398 WeakPolarHBondContact CA-O 3.5Å; K321-Y399 HydrophobicContact CB-CD1 4.01Å; K321-Y399 HydrophobicContact CB-CE1 4.01Å; K321-Y399 HydrophobicContact CD-CD1 4.37Å; K321-Y399 HydrophobicContact CD-CE1 3.57Å; K321-Y399 WeakPolarHBondContact CE-OH 3.35Å; K321-Y399 HydrophobicContact CG-CD1 4.06Å; K321-Y399 HydrophobicContact CG-CE1 3.75Å; K321-Y399 PolarHBondContact NZ-OH 2.97Å
322	L	91.4	Very high	79.6	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	154.6	173.5	-61.1	-176.8	0	0	0	111.6	I320 L329 F331 A359 D362 V398 L400	I320-L322 HydrophobicContact CG2-CD2 3.81Å; I320-L322 HydrophobicContact CG2-CG 4.06Å; L322-L329 HydrophobicContact CB-CD2 4.24Å; L322-L329 HydrophobicContact CD1-CB 4.47Å; L322-F331 HydrophobicContact CD1-CD1 4.3Å; L322-F331 HydrophobicContact CD1-CE1 3.87Å; L322-A359 HydrophobicContact CD1-CB 4.04Å; L322-D362 HydrophobicContact CD2-CB 3.49Å; L322-D362 VanDerWaalsContact CD2-CB 3.49Å; L322-V398 PolarHBondContact N-O 2.85Å; L322-V398 PolarHBondContact O-N 3.08Å; L322-L400 HydrophobicContact CD1-CD1 3.73Å; L322-L400 HydrophobicContact CG-CD1 4.37Å
323	I	89.4	Confident	81.7	Confident	104 Å²	104	73 Å²	73	53%	0.533	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127	168.6	-52.9	-179.3	0	0	0	107.9	G325 A358 D396 F397	I323-G325 PolarHBondContact O-N 3.44Å; I323-A358 WeakPolarHBondContact O-CB 3.22Å; I323-D396 CarbonylContact C-O 3.58Å; I323-D396 VanDerWaalsContact CA-O 3.29Å; I323-D396 WeakPolarHBondContact CA-O 3.41Å; I323-F397 HydrophobicContact CD1-CD1 4.39Å; I323-F397 HydrophobicContact CD1-CE1 3.78Å; I323-F397 HydrophobicContact CG1-CD1 3.89Å; I323-F397 HydrophobicContact CG1-CE1 3.78Å
324	K	86.9	Confident	83.2	Confident	64 Å²	64	69.6 Å²	69.6	28%	0.278	37%	0.366	S	S	.	.			trans	-65.1	116.2	-175.8	-155.4	163.2	-177.8	162.2	0	109.5	L329 K392 T394 D396	K324-L329 HydrophobicContact CB-CD2 4.29Å; K324-L329 HydrophobicContact CG-CD2 4.24Å; K324-K392 PolarHBondContact NZ-O 2.93Å; K324-K392 VanDerWaalsContact NZ-O 3.08Å; K324-T394 PolarHBondContact NZ-O 3.16Å; K324-T394 PolarHBondContact NZ-OG1 3.44Å; K324-D396 PolarHBondContact N-O 2.98Å
325	G	80.1	Confident	85	Confident	28 Å²	28	65 Å²	65	29%	0.289	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-83.1	177.6	178.2	0	0	0	0	0	112.5	I323 K327 G328	I323-G325 PolarHBondContact O-N 3.44Å; G325-K327 PolarHBondContact O-N 2.89Å; G325-G328 PolarHBondContact N-O 2.94Å; G325-G328 PolarHBondContact O-N 2.88Å
326	P	73.6	Confident	85.8	Confident	148 Å²	148	61 Å²	61	96%	0.961	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-10.1	177	27.4	-36	0	0	0	114.1
327	K	71.8	Confident	86	Confident	190 Å²	190	55 Å²	55	83%	0.826	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	29.5	170.5	-62.5	-172.6	177.4	-176.2	0	112.1	G325	G325-K327 PolarHBondContact O-N 2.89Å
328	G	87	Confident	85.4	Confident	26 Å²	26	54.3 Å²	54.3	27%	0.268	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	72.8	-148.1	-176.9	0	0	0	0	0	113.4	G325 G330	G325-G328 PolarHBondContact N-O 2.94Å; G325-G328 PolarHBondContact O-N 2.88Å; G328-G330 VanDerWaalsContact C-N 3.33Å; G328-G330 PolarHBondContact O-N 3.08Å
329	L	88.8	Confident	85.1	Confident	18 Å²	18	55.2 Å²	55.2	9%	0.094	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.5	-173.7	-59.2	174.4	0	0	0	114.3	L322 K324 F331 A358 A359 L391 V398	L322-L329 HydrophobicContact CB-CD2 4.24Å; L322-L329 HydrophobicContact CD1-CB 4.47Å; K324-L329 HydrophobicContact CB-CD2 4.29Å; K324-L329 HydrophobicContact CG-CD2 4.24Å; L329-F331 HydrophobicContact CB-CD1 3.82Å; L329-F331 HydrophobicContact CB-CE1 3.53Å; L329-F331 HydrophobicContact CB-CZ 4.47Å; L329-F331 HydrophobicContact CD1-CE1 3.97Å; L329-F331 HydrophobicContact CD1-CZ 4.24Å; L329-F331 HydrophobicContact CG-CE1 4.37Å; L329-A358 WeakPolarHBondContact O-CB 3.28Å; L329-A359 WeakPolarHBondContact O-CB 3.05Å; L329-A359 PolarHBondContact O-N 2.9Å; L329-L391 HydrophobicContact CD1-CD2 4.03Å; L329-V398 HydrophobicContact CD1-CG1 4.32Å; L329-V398 HydrophobicContact CD1-CG2 4.2Å; L329-V398 HydrophobicContact CD2-CB 4.1Å; L329-V398 HydrophobicContact CD2-CG2 3.59Å; L329-V398 HydrophobicContact CG-CG2 4.49Å
330	G	90	Very high	84.2	Confident	4 Å²	4	52.6 Å²	52.6	4%	0.041	31%	0.308	C	S	.	.	S	Bend	trans	73.6	32.2	173.8	0	0	0	0	0	115.1	G328 I354	G328-G330 VanDerWaalsContact C-N 3.33Å; G328-G330 PolarHBondContact O-N 3.08Å; G330-I354 WeakPolarHBondContact O-CB 3.09Å; G330-I354 PolarHBondContact O-N 3.3Å
331	F	93.6	Very high	83.4	Confident	24 Å²	24	56.9 Å²	56.9	11%	0.105	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	165.9	169.3	66.5	-90.3	0	0	0	111.5	L322 L329 I333 V350 K352 I353 A359 L365 L371 L391 L400	L322-F331 HydrophobicContact CD1-CD1 4.3Å; L322-F331 HydrophobicContact CD1-CE1 3.87Å; L329-F331 HydrophobicContact CB-CD1 3.82Å; L329-F331 HydrophobicContact CB-CE1 3.53Å; L329-F331 HydrophobicContact CB-CZ 4.47Å; L329-F331 HydrophobicContact CD1-CE1 3.97Å; L329-F331 HydrophobicContact CD1-CZ 4.24Å; L329-F331 HydrophobicContact CG-CE1 4.37Å; F331-I333 HydrophobicContact CD2-CG2 3.92Å; F331-I333 HydrophobicContact CE2-CG2 3.68Å; F331-V350 HydrophobicContact CB-CG1 4.21Å; F331-V350 HydrophobicContact CD2-CG1 4.28Å; F331-V350 HydrophobicContact CD2-CG2 4.21Å; F331-V350 HydrophobicContact CE2-CG2 4.44Å; F331-K352 CarbonylContact C-O 3.58Å; F331-K352 WeakPolarHBondContact CA-O 3.13Å; F331-K352 WeakPolarHBondContact CB-O 3.45Å; F331-I353 HydrophobicContact CB-CD1 3.9Å; F331-A359 HydrophobicContact CB-CB 4.27Å; F331-A359 HydrophobicContact CD1-CB 3.86Å; F331-L365 HydrophobicContact CB-CD2 4Å; F331-L365 HydrophobicContact CD1-CD2 3.48Å; F331-L365 VanDerWaalsContact CD1-CD2 3.48Å; F331-L365 HydrophobicContact CD2-CD2 3.97Å; F331-L365 HydrophobicContact CE1-CD2 3.79Å; F331-L365 HydrophobicContact CE2-CD2 4.27Å; F331-L365 HydrophobicContact CG-CD2 3.56Å; F331-L365 HydrophobicContact CZ-CD2 4.17Å; F331-L371 HydrophobicContact CE2-CD1 3.89Å; F331-L371 HydrophobicContact CZ-CD1 4.39Å; F331-L391 HydrophobicContact CE2-CD1 4.17Å; F331-L391 HydrophobicContact CE2-CD2 4.35Å; F331-L391 HydrophobicContact CZ-CD1 4.42Å; F331-L391 HydrophobicContact CZ-CD2 3.81Å; F331-L400 HydrophobicContact CE1-CD1 3.79Å; F331-L400 HydrophobicContact CZ-CD1 3.75Å
332	S	90	Very high	82.4	Confident	46 Å²	46	56.1 Å²	56.1	32%	0.322	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.1	175.1	-55	0	0	0	0	110.6	V350 T351 K352	S332-V350 WeakPolarHBondContact O-CA 3.41Å; S332-T351 PolarHBondContact O-N 2.89Å; S332-T351 PolarHBondContact O-OG1 2.84Å; S332-K352 PolarHBondContact N-O 3.16Å
333	I	93.6	Very high	80.4	Confident	25 Å²	25	61.4 Å²	61.4	13%	0.128	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.9	177	59.6	157.9	0	0	0	112.3	F331 I348 Y349 L371 A387 V388 L391	F331-I333 HydrophobicContact CD2-CG2 3.92Å; F331-I333 HydrophobicContact CE2-CG2 3.68Å; I333-I348 HydrophobicContact CB-CG2 3.96Å; I333-I348 HydrophobicContact CD1-CG2 3.65Å; I333-I348 HydrophobicContact CG1-CG2 4.41Å; I333-I348 HydrophobicContact CG2-CG2 4.12Å; I333-Y349 CarbonylContact C-O 3.43Å; I333-Y349 WeakPolarHBondContact CA-O 3.3Å; I333-Y349 WeakPolarHBondContact CB-O 3.14Å; I333-L371 HydrophobicContact CG2-CD1 3.66Å; I333-A387 HydrophobicContact CD1-CB 3.99Å; I333-V388 HydrophobicContact CD1-CG2 3.94Å; I333-V388 HydrophobicContact CG1-CG2 4.36Å; I333-L391 HydrophobicContact CD1-CD1 3.69Å; I333-L391 HydrophobicContact CG1-CD1 4.16Å; I333-L391 HydrophobicContact CG2-CD1 4.06Å
334	A	83.2	Confident	78.9	Confident	22 Å²	22	59.5 Å²	59.5	18%	0.182	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	173.2	163.9	0	0	0	0	0	109.5	H341 Y349 T351	A334-H341 HydrophobicContact CB-CB 4Å; A334-Y349 PolarHBondContact N-O 3.18Å; A334-Y349 PolarHBondContact O-N 3.32Å; A334-T351 HydrophobicContact CB-CG2 3.45Å; A334-T351 VanDerWaalsContact CB-CG2 3.45Å
335	G	86.8	Confident	78.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	37%	0.367	C	S	.	.			trans	96.3	175.3	-175.8	0	0	0	0	0	112.6	N339 S347 I348 H384	G335-N339 CarbonylContact C-O 3.39Å; G335-N339 VanDerWaalsContact C-O 3.23Å; G335-N339 WeakPolarHBondContact CA-O 3.34Å; G335-S347 WeakPolarHBondContact CA-O 3.3Å; G335-I348 WeakPolarHBondContact O-CD1 3.34Å; G335-H384 WeakPolarHBondContact O-CB 3.37Å; G335-H384 PolarHBondContact O-ND1 2.73Å
336	G	82.8	Confident	78.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	36%	0.361	C	S	.	.			trans	123.9	156.7	-172.6	0	0	0	0	0	112	G338 N339 Q340 N346 V382	G336-G338 PolarHBondContact O-N 3.02Å; G336-N339 CarbonylContact O-C 3.57Å; G336-N339 PolarHBondContact O-N 2.86Å; G336-Q340 PolarHBondContact O-N 2.82Å; G336-N346 CarbonylContact C-O 3.58Å; G336-N346 WeakPolarHBondContact CA-O 3.41Å; G336-N346 PolarHBondContact N-O 3.07Å; G336-N346 VanDerWaalsContact N-O 3.08Å; G336-V382 CarbonylContact C-O 3.57Å; G336-V382 WeakPolarHBondContact CA-O 3.33Å
337	V	74.9	Confident	78.9	Confident	58 Å²	58	52.3 Å²	52.3	35%	0.352	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-55.5	126.1	173.8	177.9	0	0	0	0	109.8	N339 N346 E381 V382	V337-N339 VanDerWaalsContact C-N 3.26Å; V337-N339 PolarHBondContact O-N 3.01Å; V337-N346 HydrophobicContact CG2-CB 3.88Å; V337-E381 VanDerWaalsContact CG2-C 3.47Å; V337-E381 HydrophobicContact CG2-CB 4.4Å; V337-E381 VanDerWaalsContact CG2-O 3.3Å; V337-E381 WeakPolarHBondContact CG2-O 3.46Å; V337-V382 PolarHBondContact N-O 2.86Å
338	G	70.9	Confident	79.9	Confident	80 Å²	80	43.2 Å²	43.2	83%	0.825	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-4.4	-176.6	0	0	0	0	0	115.5	G336	G336-G338 PolarHBondContact O-N 3.02Å
339	N	77.3	Confident	80.2	Confident	82 Å²	82	43 Å²	43	44%	0.439	27%	0.271	S	S	.	.	S	Bend	trans	-142.8	53.3	179.1	-169.3	12.6	0	0	0	110.8	G335 G336 V337 H341 H384	G335-N339 CarbonylContact C-O 3.39Å; G335-N339 VanDerWaalsContact C-O 3.23Å; G335-N339 WeakPolarHBondContact CA-O 3.34Å; G336-N339 CarbonylContact O-C 3.57Å; G336-N339 PolarHBondContact O-N 2.86Å; V337-N339 VanDerWaalsContact C-N 3.26Å; V337-N339 PolarHBondContact O-N 3.01Å; N339-H341 PolarHBondContact O-N 2.85Å; N339-H384 HydrophobicContact CB-CB 4.21Å
340	Q	71.2	Confident	80.3	Confident	85 Å²	85	42.1 Å²	42.1	40%	0.397	27%	0.267	S	S	.	.			trans	-61.2	131.2	-174.2	-65.2	-177.7	-21.3	0	0	112	G336 D345 N346	G336-Q340 PolarHBondContact O-N 2.82Å; Q340-D345 WeakPolarHBondContact CG-O 3.43Å; Q340-N346 WeakPolarHBondContact CG-OD1 3.35Å; Q340-N346 PolarHBondContact NE2-OD1 3.44Å
341	H	76.2	Confident	80.1	Confident	93 Å²	93	44.2 Å²	44.2	43%	0.431	28%	0.279	S	S	.	.	S	Bend	trans	-82.8	-33.8	173.6	-176.5	39.8	0	0	0	112.1	A334 N339 Y349	A334-H341 HydrophobicContact CB-CB 4Å; N339-H341 PolarHBondContact O-N 2.85Å; H341-Y349 HydrophobicContact CB-CD2 4.16Å
342	I	70.4	Confident	79.8	Confident	79 Å²	79	49.1 Å²	49.1	41%	0.405	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-116.8	123.1	174.2	-59.6	-179.5	0	0	0	106.1	G344 D345 Y349	I342-G344 PolarHBondContact O-N 3.26Å; I342-D345 HydrophobicContact CB-CB 4.29Å; I342-D345 PolarHBondContact O-N 2.81Å; I342-Y349 HydrophobicContact CD1-CE1 3.96Å; I342-Y349 HydrophobicContact CD1-CE2 3.95Å; I342-Y349 HydrophobicContact CG1-CE2 4.24Å
343	P	49.5	Very low	79.7	Confident	114 Å²	114	48.4 Å²	48.4	74%	0.74	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	123.7	-177.7	-27.4	35.6	0	0	0	112.4
344	G	58.7	Low	79.4	Confident	64 Å²	64	50.6 Å²	50.6	66%	0.66	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-6.5	-175.6	0	0	0	0	0	115.7	I342	I342-G344 PolarHBondContact O-N 3.26Å
345	D	73.8	Confident	79.5	Confident	44 Å²	44	57.5 Å²	57.5	24%	0.235	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-117.2	121	176.5	-161.7	-32.7	0	0	0	111.2	Q340 I342 S347 Y349 K370	Q340-D345 WeakPolarHBondContact CG-O 3.43Å; I342-D345 HydrophobicContact CB-CB 4.29Å; I342-D345 PolarHBondContact O-N 2.81Å; D345-S347 VanDerWaalsContact C-N 3.31Å; D345-S347 WeakPolarHBondContact OD1-CB 3.44Å; D345-S347 PolarHBondContact OD1-N 2.93Å; D345-S347 PolarHBondContact OD1-OG 2.67Å; D345-Y349 PolarHBondContact OD2-OH 3.09Å; D345-K370 IonicContact OD2-NZ 3.58Å
346	N	79.5	Confident	79.3	Confident	31 Å²	31	59.3 Å²	59.3	17%	0.166	35%	0.351	C	S	.	.			trans	-83.5	-2.6	178.7	-68	-32.7	0	0	0	113.3	G336 V337 Q340 E381	G336-N346 CarbonylContact C-O 3.58Å; G336-N346 WeakPolarHBondContact CA-O 3.41Å; G336-N346 PolarHBondContact N-O 3.07Å; G336-N346 VanDerWaalsContact N-O 3.08Å; V337-N346 HydrophobicContact CG2-CB 3.88Å; Q340-N346 WeakPolarHBondContact CG-OD1 3.35Å; Q340-N346 PolarHBondContact NE2-OD1 3.44Å; N346-E381 PolarHBondContact ND2-OE2 2.92Å
347	S	87.4	Confident	79.5	Confident	13 Å²	13	60 Å²	60	9%	0.091	36%	0.358	C	S	.	.			trans	-63.2	155.8	-175.9	-57.2	0	0	0	0	113.7	G335 D345 Y349 K370	G335-S347 WeakPolarHBondContact CA-O 3.3Å; D345-S347 VanDerWaalsContact C-N 3.31Å; D345-S347 WeakPolarHBondContact OD1-CB 3.44Å; D345-S347 PolarHBondContact OD1-N 2.93Å; D345-S347 PolarHBondContact OD1-OG 2.67Å; S347-Y349 VanDerWaalsContact O-CD2 3.3Å; S347-Y349 WeakPolarHBondContact O-CD2 3.11Å; S347-Y349 WeakPolarHBondContact O-CE2 3.1Å; S347-K370 WeakPolarHBondContact OG-CE 3.43Å; S347-K370 PolarHBondContact OG-NZ 3.44Å
348	I	92.6	Very high	80.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.6	175.6	-51.7	-57.3	0	0	0	110.3	I333 G335 K370 L371 L379 V382 A387	I333-I348 HydrophobicContact CB-CG2 3.96Å; I333-I348 HydrophobicContact CD1-CG2 3.65Å; I333-I348 HydrophobicContact CG1-CG2 4.41Å; I333-I348 HydrophobicContact CG2-CG2 4.12Å; G335-I348 WeakPolarHBondContact O-CD1 3.34Å; I348-K370 CarbonylContact O-C 3.44Å; I348-K370 WeakPolarHBondContact O-CA 3.32Å; I348-L371 HydrophobicContact CB-CB 4.32Å; I348-L371 HydrophobicContact CG2-CB 4.28Å; I348-L371 HydrophobicContact CG2-CD1 4.17Å; I348-L371 PolarHBondContact O-N 3.08Å; I348-L379 HydrophobicContact CB-CD1 4.5Å; I348-L379 HydrophobicContact CG1-CB 4.1Å; I348-L379 HydrophobicContact CG1-CD1 4.34Å; I348-V382 HydrophobicContact CD1-CG2 4.15Å; I348-V382 HydrophobicContact CG1-CG2 4.11Å; I348-A387 HydrophobicContact CD1-CB 3.55Å; I348-A387 HydrophobicContact CG1-CB 3.67Å; I348-A387 HydrophobicContact CG2-CB 4.26Å
349	Y	91.9	Very high	81.1	Confident	20 Å²	20	54.1 Å²	54.1	8%	0.078	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.6	-178.3	-68.3	-87.7	0	0	0	112.7	I333 A334 H341 I342 D345 S347 T351 D369 K370	I333-Y349 CarbonylContact C-O 3.43Å; I333-Y349 WeakPolarHBondContact CA-O 3.3Å; I333-Y349 WeakPolarHBondContact CB-O 3.14Å; A334-Y349 PolarHBondContact N-O 3.18Å; A334-Y349 PolarHBondContact O-N 3.32Å; H341-Y349 HydrophobicContact CB-CD2 4.16Å; I342-Y349 HydrophobicContact CD1-CE1 3.96Å; I342-Y349 HydrophobicContact CD1-CE2 3.95Å; I342-Y349 HydrophobicContact CG1-CE2 4.24Å; D345-Y349 PolarHBondContact OD2-OH 3.09Å; S347-Y349 VanDerWaalsContact O-CD2 3.3Å; S347-Y349 WeakPolarHBondContact O-CD2 3.11Å; S347-Y349 WeakPolarHBondContact O-CE2 3.1Å; Y349-T351 PolarHBondContact O-N 2.78Å; Y349-D369 CarbonylContact C-O 3.4Å; Y349-D369 WeakPolarHBondContact CA-O 3.49Å; Y349-K370 HydrophobicContact CD1-CB 4.03Å; Y349-K370 HydrophobicContact CE1-CB 3.81Å; Y349-K370 HydrophobicContact CE1-CD 4.08Å; Y349-K370 HydrophobicContact CE1-CG 4.29Å
350	V	92.4	Very high	81.8	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.6	172.3	-179.6	0	0	0	0	110	F331 S332 I353 L365 Q366 I367 G368 D369 L371	F331-V350 HydrophobicContact CB-CG1 4.21Å; F331-V350 HydrophobicContact CD2-CG1 4.28Å; F331-V350 HydrophobicContact CD2-CG2 4.21Å; F331-V350 HydrophobicContact CE2-CG2 4.44Å; S332-V350 WeakPolarHBondContact O-CA 3.41Å; V350-I353 HydrophobicContact CG1-CD1 3.76Å; V350-L365 HydrophobicContact CG1-CD2 4.26Å; V350-L365 HydrophobicContact CG1-CG 4.46Å; V350-L365 HydrophobicContact CG2-CD1 4.09Å; V350-L365 HydrophobicContact CG2-CD2 4.03Å; V350-L365 HydrophobicContact CG2-CG 4.13Å; V350-Q366 WeakPolarHBondContact CB-O 3.44Å; V350-Q366 WeakPolarHBondContact CG1-O 3.31Å; V350-I367 WeakPolarHBondContact O-CA 3.43Å; V350-G368 PolarHBondContact O-N 3.36Å; V350-D369 HydrophobicContact CB-CB 4.18Å; V350-D369 HydrophobicContact CG2-CB 4Å; V350-D369 PolarHBondContact N-O 2.86Å; V350-L371 HydrophobicContact CG2-CD1 4.22Å; V350-L371 HydrophobicContact CG2-CD2 3.87Å; V350-L371 HydrophobicContact CG2-CG 4Å
351	T	86	Confident	82.6	Confident	47 Å²	47	58.3 Å²	58.3	29%	0.288	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-20.3	-176	51.3	0	0	0	0	114.2	S332 A334 Y349	S332-T351 PolarHBondContact O-N 2.89Å; S332-T351 PolarHBondContact O-OG1 2.84Å; A334-T351 HydrophobicContact CB-CG2 3.45Å; A334-T351 VanDerWaalsContact CB-CG2 3.45Å; Y349-T351 PolarHBondContact O-N 2.78Å
352	K	86.4	Confident	83.2	Confident	127 Å²	127	56.2 Å²	56.2	55%	0.552	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.9	136.9	178.2	-170	167.9	-177.1	172.5	0	111.1	F331 S332	F331-K352 CarbonylContact C-O 3.58Å; F331-K352 WeakPolarHBondContact CA-O 3.13Å; F331-K352 WeakPolarHBondContact CB-O 3.45Å; S332-K352 PolarHBondContact N-O 3.16Å
353	I	88.6	Confident	84	Confident	32 Å²	32	54.8 Å²	54.8	16%	0.164	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.4	162.4	-57.8	-60	0	0	0	107.9	F331 V350 A359 H360 L365 I367	F331-I353 HydrophobicContact CB-CD1 3.9Å; V350-I353 HydrophobicContact CG1-CD1 3.76Å; I353-A359 HydrophobicContact CD1-CB 4.25Å; I353-H360 HydrophobicContact CG2-CB 3.7Å; I353-L365 HydrophobicContact CD1-CB 4.2Å; I353-L365 HydrophobicContact CD1-CD2 3.93Å; I353-L365 HydrophobicContact CD1-CG 4.06Å; I353-I367 HydrophobicContact CG1-CG1 4.11Å
354	I	87.3	Confident	85.8	Confident	70 Å²	70	53.8 Å²	53.8	36%	0.359	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-95.8	116.2	-179.2	-57.1	177.2	0	0	0	108.7	G330 G356 G357 H360	G330-I354 WeakPolarHBondContact O-CB 3.09Å; G330-I354 PolarHBondContact O-N 3.3Å; I354-G356 PolarHBondContact O-N 3.29Å; I354-G357 WeakPolarHBondContact O-CA 3.4Å; I354-G357 PolarHBondContact O-N 2.73Å; I354-H360 VanDerWaalsContact O-CB 3.27Å; I354-H360 WeakPolarHBondContact O-CB 3.24Å
355	E	84.8	Confident	87.4	Confident	167 Å²	167	51 Å²	51	78%	0.78	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	134.7	179.7	-167.4	176.8	173.5	0	0	112.3	G357	E355-G357 PolarHBondContact O-N 2.62Å
356	G	82.8	Confident	88.1	Confident	39 Å²	39	54.2 Å²	54.2	40%	0.402	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-4.4	-174.5	0	0	0	0	0	115.8	I354 H360 K361	I354-G356 PolarHBondContact O-N 3.29Å; G356-H360 PolarHBondContact N-ND1 3.39Å; G356-K361 WeakPolarHBondContact O-CE 3.45Å; G356-K361 PolarHBondContact O-NZ 2.94Å
357	G	86.6	Confident	88.4	Confident	14 Å²	14	58 Å²	58	14%	0.144	31%	0.306	C	S	.	.	S	Bend	trans	-71.4	176.4	173	0	0	0	0	0	113.6	I354 E355 H360 K361	I354-G357 WeakPolarHBondContact O-CA 3.4Å; I354-G357 PolarHBondContact O-N 2.73Å; E355-G357 PolarHBondContact O-N 2.62Å; G357-H360 PolarHBondContact O-N 2.88Å; G357-K361 WeakPolarHBondContact O-CB 3.48Å; G357-K361 WeakPolarHBondContact O-CG 3.41Å; G357-K361 PolarHBondContact O-N 2.83Å
358	A	88.9	Confident	88	Confident	14 Å²	14	59.1 Å²	59.1	12%	0.116	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-48.2	-174.9	0	0	0	0	0	113.1	I323 L329 H360 K361 D362	I323-A358 WeakPolarHBondContact O-CB 3.22Å; L329-A358 WeakPolarHBondContact O-CB 3.28Å; A358-H360 VanDerWaalsContact C-N 3.32Å; A358-H360 PolarHBondContact O-N 3.29Å; A358-K361 PolarHBondContact O-N 3.36Å; A358-K361 VanDerWaalsContact O-N 3.14Å; A358-D362 PolarHBondContact O-N 3.06Å
359	A	91.8	Very high	87.8	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-38.9	175.5	0	0	0	0	0	112.7	L322 L329 F331 I353 K361 D362 G363 L365	L322-A359 HydrophobicContact CD1-CB 4.04Å; L329-A359 WeakPolarHBondContact O-CB 3.05Å; L329-A359 PolarHBondContact O-N 2.9Å; F331-A359 HydrophobicContact CB-CB 4.27Å; F331-A359 HydrophobicContact CD1-CB 3.86Å; I353-A359 HydrophobicContact CD1-CB 4.25Å; A359-K361 VanDerWaalsContact C-N 3.32Å; A359-K361 PolarHBondContact O-N 2.89Å; A359-D362 PolarHBondContact O-N 2.9Å; A359-G363 PolarHBondContact O-N 2.85Å; A359-L365 HydrophobicContact CB-CB 4.24Å; A359-L365 HydrophobicContact CB-CD2 3.91Å
360	H	90.6	Very high	87.8	Confident	90 Å²	90	59.6 Å²	59.6	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-36.2	174.4	-172.9	-84.2	0	0	0	112.8	I353 I354 G356 G357 A358	I353-H360 HydrophobicContact CG2-CB 3.7Å; I354-H360 VanDerWaalsContact O-CB 3.27Å; I354-H360 WeakPolarHBondContact O-CB 3.24Å; G356-H360 PolarHBondContact N-ND1 3.39Å; G357-H360 PolarHBondContact O-N 2.88Å; A358-H360 VanDerWaalsContact C-N 3.32Å; A358-H360 PolarHBondContact O-N 3.29Å
361	K	88.3	Confident	87.8	Confident	165 Å²	165	59.6 Å²	59.6	72%	0.717	32%	0.321	S	S	*	.	H	α-helix	trans	-76.6	-27.7	177.7	-78.1	168.9	170.2	155.2	0	113.5	G356 G357 A358 A359	G356-K361 WeakPolarHBondContact O-CE 3.45Å; G356-K361 PolarHBondContact O-NZ 2.94Å; G357-K361 WeakPolarHBondContact O-CB 3.48Å; G357-K361 WeakPolarHBondContact O-CG 3.41Å; G357-K361 PolarHBondContact O-N 2.83Å; A358-K361 PolarHBondContact O-N 3.36Å; A358-K361 VanDerWaalsContact O-N 3.14Å; A359-K361 VanDerWaalsContact C-N 3.32Å; A359-K361 PolarHBondContact O-N 2.89Å
362	D	88.3	Confident	88	Confident	49 Å²	49	57.9 Å²	57.9	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-80.5	-30.8	172.7	-173.1	77	0	0	0	112.7	I320 L322 A358 A359 K364	I320-D362 WeakPolarHBondContact CG2-OD2 3.13Å; L322-D362 HydrophobicContact CD2-CB 3.49Å; L322-D362 VanDerWaalsContact CD2-CB 3.49Å; A358-D362 PolarHBondContact O-N 3.06Å; A359-D362 PolarHBondContact O-N 2.9Å; D362-K364 PolarHBondContact O-N 2.63Å; D362-K364 VanDerWaalsContact O-N 3.07Å; D362-K364 IonicContact OD1-NZ 3.35Å; D362-K364 PolarHBondContact OD1-NZ 3.3Å; D362-K364 WeakPolarHBondContact OD2-CB 3.47Å; D362-K364 WeakPolarHBondContact OD2-CD 3.01Å; D362-K364 VanDerWaalsContact OD2-CG 3.23Å; D362-K364 WeakPolarHBondContact OD2-CG 3.4Å; D362-K364 IonicContact OD2-NZ 3.13Å; D362-K364 PolarHBondContact OD2-NZ 3.07Å
363	G	87.1	Confident	88.2	Confident	50 Å²	50	52.5 Å²	52.5	52%	0.515	29%	0.289	S	S	.	.			trans	73.5	-10.2	171.8	0	0	0	0	0	116.2	A359	A359-G363 PolarHBondContact O-N 2.85Å
364	K	88.1	Confident	88.5	Confident	92 Å²	92	51.1 Å²	51.1	40%	0.4	28%	0.282	S	S	.	.			trans	-80.2	-28.1	-178	-58.7	-179	-158.3	72.8	0	113.6	M318 I320 D362 K404	M318-K364 HydrophobicContact CE-CB 4.05Å; I320-K364 HydrophobicContact CD1-CB 3.89Å; I320-K364 HydrophobicContact CG1-CB 4.11Å; I320-K364 HydrophobicContact CG2-CB 4.28Å; D362-K364 PolarHBondContact O-N 2.63Å; D362-K364 VanDerWaalsContact O-N 3.07Å; D362-K364 IonicContact OD1-NZ 3.35Å; D362-K364 PolarHBondContact OD1-NZ 3.3Å; D362-K364 WeakPolarHBondContact OD2-CB 3.47Å; D362-K364 WeakPolarHBondContact OD2-CD 3.01Å; D362-K364 VanDerWaalsContact OD2-CG 3.23Å; D362-K364 WeakPolarHBondContact OD2-CG 3.4Å; D362-K364 IonicContact OD2-NZ 3.13Å; D362-K364 PolarHBondContact OD2-NZ 3.07Å; K364-K404 VanDerWaalsContact O-CE 3.29Å; K364-K404 WeakPolarHBondContact O-CE 3.42Å; K364-K404 PolarHBondContact O-NZ 3.45Å
365	L	91.9	Very high	88.6	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.026	28%	0.281	C	S	.	.			trans	-86.7	131.8	178.5	-162.7	78.3	0	0	0	109.7	I320 F331 V350 I353 A359 D369 L371 L400 V402	I320-L365 HydrophobicContact CD1-CB 4.01Å; I320-L365 HydrophobicContact CD1-CD1 3.72Å; F331-L365 HydrophobicContact CB-CD2 4Å; F331-L365 HydrophobicContact CD1-CD2 3.48Å; F331-L365 VanDerWaalsContact CD1-CD2 3.48Å; F331-L365 HydrophobicContact CD2-CD2 3.97Å; F331-L365 HydrophobicContact CE1-CD2 3.79Å; F331-L365 HydrophobicContact CE2-CD2 4.27Å; F331-L365 HydrophobicContact CG-CD2 3.56Å; F331-L365 HydrophobicContact CZ-CD2 4.17Å; V350-L365 HydrophobicContact CG1-CD2 4.26Å; V350-L365 HydrophobicContact CG1-CG 4.46Å; V350-L365 HydrophobicContact CG2-CD1 4.09Å; V350-L365 HydrophobicContact CG2-CD2 4.03Å; V350-L365 HydrophobicContact CG2-CG 4.13Å; I353-L365 HydrophobicContact CD1-CB 4.2Å; I353-L365 HydrophobicContact CD1-CD2 3.93Å; I353-L365 HydrophobicContact CD1-CG 4.06Å; A359-L365 HydrophobicContact CB-CB 4.24Å; A359-L365 HydrophobicContact CB-CD2 3.91Å; L365-D369 WeakPolarHBondContact CA-OD2 3.27Å; L365-D369 HydrophobicContact CD1-CB 4.27Å; L365-D369 WeakPolarHBondContact CD1-OD2 3.43Å; L365-L371 HydrophobicContact CD1-CD2 4.16Å; L365-L400 HydrophobicContact CD1-CD1 4.38Å; L365-L400 HydrophobicContact CD2-CD1 4.39Å; L365-V402 HydrophobicContact CD1-CG1 4.2Å; L365-V402 HydrophobicContact CD1-CG2 3.95Å
366	Q	88.1	Confident	88.4	Confident	112 Å²	112	48.7 Å²	48.7	52%	0.523	29%	0.285	S	S	.	.			trans	-127.8	165.8	-175.5	-66.6	170.6	-63.5	0	0	110.8	V350 D369	V350-Q366 WeakPolarHBondContact CB-O 3.44Å; V350-Q366 WeakPolarHBondContact CG1-O 3.31Å; Q366-D369 PolarHBondContact N-OD2 2.92Å; Q366-D369 WeakPolarHBondContact O-CB 3.3Å; Q366-D369 VanDerWaalsContact O-CG 3.26Å; Q366-D369 PolarHBondContact O-N 3.14Å
367	I	85.9	Confident	88.6	Confident	112 Å²	112	50.6 Å²	50.6	57%	0.574	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	136.2	172.3	-58.8	178.7	0	0	0	108.4	V350 I353	V350-I367 WeakPolarHBondContact O-CA 3.43Å; I353-I367 HydrophobicContact CG1-CG1 4.11Å
368	G	80.2	Confident	88.6	Confident	35 Å²	35	53.1 Å²	53.1	36%	0.361	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-4.7	-172.8	0	0	0	0	0	114.6	V350	V350-G368 PolarHBondContact O-N 3.36Å
369	D	89	Confident	88.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.1	137.1	172.3	-78.1	3.1	0	0	0	111.5	Y349 V350 L365 Q366 V402 K404	Y349-D369 CarbonylContact C-O 3.4Å; Y349-D369 WeakPolarHBondContact CA-O 3.49Å; V350-D369 HydrophobicContact CB-CB 4.18Å; V350-D369 HydrophobicContact CG2-CB 4Å; V350-D369 PolarHBondContact N-O 2.86Å; L365-D369 WeakPolarHBondContact CA-OD2 3.27Å; L365-D369 HydrophobicContact CD1-CB 4.27Å; L365-D369 WeakPolarHBondContact CD1-OD2 3.43Å; Q366-D369 PolarHBondContact N-OD2 2.92Å; Q366-D369 WeakPolarHBondContact O-CB 3.3Å; Q366-D369 VanDerWaalsContact O-CG 3.26Å; Q366-D369 PolarHBondContact O-N 3.14Å; D369-V402 HydrophobicContact CB-CG1 3.67Å; D369-K404 WeakPolarHBondContact OD1-CD 3.35Å; D369-K404 WeakPolarHBondContact OD1-CE 3.48Å; D369-K404 IonicContact OD1-NZ 2.73Å; D369-K404 PolarHBondContact OD1-NZ 3.46Å; D369-K404 WeakPolarHBondContact OD2-CE 3.34Å; D369-K404 IonicContact OD2-NZ 2.71Å; D369-K404 PolarHBondContact OD2-NZ 2.95Å
370	K	91.6	Very high	88.3	Confident	27 Å²	27	58.2 Å²	58.2	12%	0.117	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.6	176.8	170.5	166.5	163.2	174	0	110.7	E315 D345 S347 I348 Y349 L372 V402 A403	E315-K370 WeakPolarHBondContact OE1-CD 3.23Å; E315-K370 WeakPolarHBondContact OE1-CE 3.42Å; E315-K370 IonicContact OE1-NZ 3.72Å; E315-K370 PolarHBondContact OE1-NZ 3.44Å; E315-K370 IonicContact OE2-NZ 2.85Å; D345-K370 IonicContact OD2-NZ 3.58Å; S347-K370 WeakPolarHBondContact OG-CE 3.43Å; S347-K370 PolarHBondContact OG-NZ 3.44Å; I348-K370 CarbonylContact O-C 3.44Å; I348-K370 WeakPolarHBondContact O-CA 3.32Å; Y349-K370 HydrophobicContact CD1-CB 4.03Å; Y349-K370 HydrophobicContact CE1-CB 3.81Å; Y349-K370 HydrophobicContact CE1-CD 4.08Å; Y349-K370 HydrophobicContact CE1-CG 4.29Å; K370-L372 HydrophobicContact CG-CD2 4.09Å; K370-V402 CarbonylContact O-C 3.57Å; K370-V402 WeakPolarHBondContact O-CA 3.45Å; K370-V402 WeakPolarHBondContact O-CG1 3.42Å; K370-A403 HydrophobicContact CB-CB 3.95Å; K370-A403 HydrophobicContact CD-CB 4.44Å; K370-A403 HydrophobicContact CG-CB 4.17Å; K370-A403 PolarHBondContact N-O 3.35Å; K370-A403 VanDerWaalsContact N-O 3.08Å; K370-A403 PolarHBondContact O-N 3.5Å
371	L	92.7	Very high	87.9	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	117	-179.3	-57.5	-176.9	0	0	0	110.1	F331 I333 I348 V350 L365 L379 L391 V402	F331-L371 HydrophobicContact CE2-CD1 3.89Å; F331-L371 HydrophobicContact CZ-CD1 4.39Å; I333-L371 HydrophobicContact CG2-CD1 3.66Å; I348-L371 HydrophobicContact CB-CB 4.32Å; I348-L371 HydrophobicContact CG2-CB 4.28Å; I348-L371 HydrophobicContact CG2-CD1 4.17Å; I348-L371 PolarHBondContact O-N 3.08Å; V350-L371 HydrophobicContact CG2-CD1 4.22Å; V350-L371 HydrophobicContact CG2-CD2 3.87Å; V350-L371 HydrophobicContact CG2-CG 4Å; L365-L371 HydrophobicContact CD1-CD2 4.16Å; L371-L379 HydrophobicContact CB-CD1 4.02Å; L371-L391 HydrophobicContact CD1-CD1 4.44Å; L371-V402 HydrophobicContact CD2-CG1 4.42Å; L371-V402 HydrophobicContact CD2-CG2 3.81Å
372	L	90.2	Very high	87.7	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-31	179.4	-56.3	178.2	0	0	0	112.4	I317 K370 L379 K401 A403	I317-L372 HydrophobicContact CD1-CD1 3.8Å; I317-L372 HydrophobicContact CG1-CD1 3.87Å; I317-L372 HydrophobicContact CG2-CD1 4.33Å; K370-L372 HydrophobicContact CG-CD2 4.09Å; L372-L379 PolarHBondContact O-N 3.33Å; L372-K401 HydrophobicContact CB-CB 4.44Å; L372-K401 HydrophobicContact CB-CD 4.46Å; L372-K401 HydrophobicContact CB-CG 4.33Å; L372-K401 PolarHBondContact N-O 3.4Å; L372-A403 HydrophobicContact CD1-CB 4Å; L372-A403 HydrophobicContact CD2-CB 4.27Å; L372-A403 HydrophobicContact CG-CB 4.13Å
373	A	90.4	Very high	87.7	Confident	14 Å²	14	52.7 Å²	52.7	12%	0.116	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	155.7	176.6	0	0	0	0	0	113.4	V377 L400 K401	A373-V377 CarbonylContact C-O 3.55Å; A373-V377 WeakPolarHBondContact CA-O 3.4Å; A373-V377 VanDerWaalsContact CB-O 3.31Å; A373-V377 WeakPolarHBondContact CB-O 3.4Å; A373-L400 WeakPolarHBondContact O-CA 3.5Å; A373-K401 HydrophobicContact CB-CB 3.81Å; A373-K401 HydrophobicContact CB-CD 4.45Å; A373-K401 PolarHBondContact N-O 2.84Å; A373-K401 PolarHBondContact O-N 2.7Å
374	V	93.3	Very high	87.8	Confident	2 Å²	2	52 Å²	52	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.5	172	179	0	0	0	0	108.4	S376 V377 L379 A390 L391 T394 V398 L400	V374-S376 PolarHBondContact O-N 2.97Å; V374-S376 VanDerWaalsContact O-N 3.16Å; V374-V377 PolarHBondContact N-O 3.02Å; V374-V377 WeakPolarHBondContact O-CB 3.14Å; V374-V377 PolarHBondContact O-N 2.82Å; V374-L379 HydrophobicContact CG2-CD1 3.65Å; V374-L379 HydrophobicContact CG2-CG 4.29Å; V374-A390 HydrophobicContact CB-CB 4.41Å; V374-L391 HydrophobicContact CG1-CD2 4.11Å; V374-L391 HydrophobicContact CG2-CD2 3.53Å; V374-L391 HydrophobicContact CG2-CG 3.97Å; V374-T394 HydrophobicContact CG1-CG2 3.71Å; V374-V398 HydrophobicContact CG1-CG1 3.94Å; V374-L400 HydrophobicContact CB-CD2 4.43Å; V374-L400 HydrophobicContact CG1-CD2 4.3Å; V374-L400 HydrophobicContact CG2-CD2 3.83Å
375	N	89.4	Confident	87.9	Confident	61 Å²	61	53.4 Å²	53.4	33%	0.326	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	-116.1	-165.8	-61.5	-38.2	0	0	0	110.1	Y399	N375-Y399 PolarHBondContact N-O 2.96Å; N375-Y399 PolarHBondContact OD1-N 2.91Å
376	S	82.3	Confident	87.8	Confident	126 Å²	126	58.2 Å²	58.2	88%	0.881	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	4.2	177.5	-47	0	0	0	0	114.1	V374	V374-S376 PolarHBondContact O-N 2.97Å; V374-S376 VanDerWaalsContact O-N 3.16Å
377	V	86.6	Confident	87.9	Confident	79 Å²	79	52.9 Å²	52.9	48%	0.479	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.3	-177.6	-175.5	0	0	0	0	109.4	A373 V374 A390	A373-V377 CarbonylContact C-O 3.55Å; A373-V377 WeakPolarHBondContact CA-O 3.4Å; A373-V377 VanDerWaalsContact CB-O 3.31Å; A373-V377 WeakPolarHBondContact CB-O 3.4Å; V374-V377 PolarHBondContact N-O 3.02Å; V374-V377 WeakPolarHBondContact O-CB 3.14Å; V374-V377 PolarHBondContact O-N 2.82Å; V377-A390 HydrophobicContact CB-CB 4.42Å; V377-A390 HydrophobicContact CG1-CB 4.05Å
378	C	87.1	Confident	88.1	Confident	67 Å²	67	49.1 Å²	49.1	45%	0.453	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	147.6	173.3	-165.8	0	0	0	0	111
379	L	89.6	Confident	88.5	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	28%	0.278	C	S	.	.			trans	-120.2	19.3	177.6	-61.6	-172.2	0	0	0	113.2	I348 L371 L372 V374 V382 A387 A390	I348-L379 HydrophobicContact CB-CD1 4.5Å; I348-L379 HydrophobicContact CG1-CB 4.1Å; I348-L379 HydrophobicContact CG1-CD1 4.34Å; L371-L379 HydrophobicContact CB-CD1 4.02Å; L372-L379 PolarHBondContact O-N 3.33Å; V374-L379 HydrophobicContact CG2-CD1 3.65Å; V374-L379 HydrophobicContact CG2-CG 4.29Å; L379-V382 HydrophobicContact CB-CG2 4.15Å; L379-V382 HydrophobicContact CD2-CG2 4.07Å; L379-A387 HydrophobicContact CD1-CB 4.32Å; L379-A387 HydrophobicContact CD2-CB 4.01Å; L379-A390 HydrophobicContact CD2-CB 4.07Å
380	E	83.1	Confident	88.6	Confident	119 Å²	119	51.2 Å²	51.2	56%	0.556	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	130.7	171.3	-66.3	166.9	-161.6	0	0	109.4	V382	E380-V382 VanDerWaalsContact C-N 3.26Å; E380-V382 PolarHBondContact O-N 3.15Å
381	E	82.1	Confident	88.6	Confident	121 Å²	121	51 Å²	51	57%	0.565	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	32	-178.9	-57.5	-56.2	118.4	0	0	116.2	V337 N346	V337-E381 VanDerWaalsContact CG2-C 3.47Å; V337-E381 HydrophobicContact CG2-CB 4.4Å; V337-E381 VanDerWaalsContact CG2-O 3.3Å; V337-E381 WeakPolarHBondContact CG2-O 3.46Å; N346-E381 PolarHBondContact ND2-OE2 2.92Å
382	V	84.3	Confident	88.3	Confident	22 Å²	22	57.6 Å²	57.6	13%	0.133	31%	0.312	C	S	.	.			trans	-94.4	157.9	174.7	-57.6	0	0	0	0	112.5	G336 V337 I348 L379 E380 E386 A387	G336-V382 CarbonylContact C-O 3.57Å; G336-V382 WeakPolarHBondContact CA-O 3.33Å; V337-V382 PolarHBondContact N-O 2.86Å; I348-V382 HydrophobicContact CD1-CG2 4.15Å; I348-V382 HydrophobicContact CG1-CG2 4.11Å; L379-V382 HydrophobicContact CB-CG2 4.15Å; L379-V382 HydrophobicContact CD2-CG2 4.07Å; E380-V382 VanDerWaalsContact C-N 3.26Å; E380-V382 PolarHBondContact O-N 3.15Å; V382-E386 HydrophobicContact CB-CB 4.19Å; V382-A387 HydrophobicContact CG2-CB 4.08Å
383	T	88.8	Confident	88.1	Confident	45 Å²	45	63.4 Å²	63.4	28%	0.276	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-69.5	160.8	168.4	62.5	0	0	0	0	112	E385 E386 A387	T383-E385 VanDerWaalsContact C-N 3.26Å; T383-E385 PolarHBondContact O-N 3.42Å; T383-E386 WeakPolarHBondContact CB-OE2 3.45Å; T383-E386 WeakPolarHBondContact CG2-OE2 3.25Å; T383-E386 PolarHBondContact N-OE2 3.24Å; T383-E386 PolarHBondContact O-N 3.45Å; T383-E386 WeakPolarHBondContact OG1-CB 3.35Å; T383-E386 VanDerWaalsContact OG1-CD 3.23Å; T383-E386 VanDerWaalsContact OG1-CG 3.23Å; T383-E386 WeakPolarHBondContact OG1-CG 3.43Å; T383-E386 PolarHBondContact OG1-N 3.34Å; T383-E386 PolarHBondContact OG1-OE2 3.03Å; T383-A387 PolarHBondContact O-N 3.04Å; T383-A387 VanDerWaalsContact O-N 3.14Å
384	H	88.8	Confident	88	Confident	36 Å²	36	63.4 Å²	63.4	17%	0.167	34%	0.342	C	S	.	.	H	α-helix	trans	-59.3	-40.6	175.9	-172.9	75.1	0	0	0	111.7	G335 N339 A387 V388	G335-H384 WeakPolarHBondContact O-CB 3.37Å; G335-H384 PolarHBondContact O-ND1 2.73Å; N339-H384 HydrophobicContact CB-CB 4.21Å; H384-A387 PolarHBondContact O-N 2.91Å; H384-V388 WeakPolarHBondContact O-CB 3.3Å; H384-V388 VanDerWaalsContact O-CG2 3.32Å; H384-V388 WeakPolarHBondContact O-CG2 3.26Å; H384-V388 PolarHBondContact O-N 3.45Å
385	E	90.8	Very high	87.5	Confident	120 Å²	120	67 Å²	67	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-63.4	-40.2	179.6	-71.9	59.9	-137.2	0	0	111.9	T383 T389	T383-E385 VanDerWaalsContact C-N 3.26Å; T383-E385 PolarHBondContact O-N 3.42Å; E385-T389 VanDerWaalsContact O-CB 3.24Å; E385-T389 WeakPolarHBondContact O-CB 3.2Å; E385-T389 PolarHBondContact O-N 2.89Å; E385-T389 PolarHBondContact O-OG1 3.3Å
386	E	88.9	Confident	87.1	Confident	107 Å²	107	69.4 Å²	69.4	50%	0.5	38%	0.38	S	S	.	.	H	α-helix	trans	-66.8	-44	175.3	-74.7	163.8	135.2	0	0	111.6	V382 T383 T389 A390	V382-E386 HydrophobicContact CB-CB 4.19Å; T383-E386 WeakPolarHBondContact CB-OE2 3.45Å; T383-E386 WeakPolarHBondContact CG2-OE2 3.25Å; T383-E386 PolarHBondContact N-OE2 3.24Å; T383-E386 PolarHBondContact O-N 3.45Å; T383-E386 WeakPolarHBondContact OG1-CB 3.35Å; T383-E386 VanDerWaalsContact OG1-CD 3.23Å; T383-E386 VanDerWaalsContact OG1-CG 3.23Å; T383-E386 WeakPolarHBondContact OG1-CG 3.43Å; T383-E386 PolarHBondContact OG1-N 3.34Å; T383-E386 PolarHBondContact OG1-OE2 3.03Å; E386-T389 WeakPolarHBondContact O-CB 3.42Å; E386-T389 PolarHBondContact O-N 3.5Å; E386-T389 VanDerWaalsContact O-N 3.15Å; E386-A390 WeakPolarHBondContact O-CB 3.2Å; E386-A390 PolarHBondContact O-N 3.34Å
387	A	89.9	Confident	87.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-43.1	175.7	0	0	0	0	0	112.6	I333 I348 L379 V382 T383 H384 T389 A390 L391	I333-A387 HydrophobicContact CD1-CB 3.99Å; I348-A387 HydrophobicContact CD1-CB 3.55Å; I348-A387 HydrophobicContact CG1-CB 3.67Å; I348-A387 HydrophobicContact CG2-CB 4.26Å; L379-A387 HydrophobicContact CD1-CB 4.32Å; L379-A387 HydrophobicContact CD2-CB 4.01Å; V382-A387 HydrophobicContact CG2-CB 4.08Å; T383-A387 PolarHBondContact O-N 3.04Å; T383-A387 VanDerWaalsContact O-N 3.14Å; H384-A387 PolarHBondContact O-N 2.91Å; A387-T389 VanDerWaalsContact C-N 3.29Å; A387-T389 PolarHBondContact O-N 2.78Å; A387-A390 PolarHBondContact O-N 3.24Å; A387-L391 WeakPolarHBondContact O-CG 3.32Å; A387-L391 PolarHBondContact O-N 2.85Å
388	V	90.1	Very high	87.7	Confident	33 Å²	33	64.4 Å²	64.4	20%	0.2	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-36.7	173.1	167.8	0	0	0	0	111.3	I333 H384 K392	I333-V388 HydrophobicContact CD1-CG2 3.94Å; I333-V388 HydrophobicContact CG1-CG2 4.36Å; H384-V388 WeakPolarHBondContact O-CB 3.3Å; H384-V388 VanDerWaalsContact O-CG2 3.32Å; H384-V388 WeakPolarHBondContact O-CG2 3.26Å; H384-V388 PolarHBondContact O-N 3.45Å; V388-K392 HydrophobicContact CG1-CD 3.88Å; V388-K392 VanDerWaalsContact CG1-CE 3.43Å; V388-K392 VanDerWaalsContact CG1-NZ 3.28Å; V388-K392 WeakPolarHBondContact O-CB 3.21Å; V388-K392 VanDerWaalsContact O-CG 3.25Å; V388-K392 WeakPolarHBondContact O-CG 3.46Å; V388-K392 PolarHBondContact O-N 3.27Å
389	T	90.3	Very high	87.8	Confident	67 Å²	67	66.4 Å²	66.4	41%	0.411	34%	0.335	S	S	.	.	H	α-helix	trans	-69.5	-44	177.4	-62.5	0	0	0	0	111.4	E385 E386 A387 L391 K392 N393	E385-T389 VanDerWaalsContact O-CB 3.24Å; E385-T389 WeakPolarHBondContact O-CB 3.2Å; E385-T389 PolarHBondContact O-N 2.89Å; E385-T389 PolarHBondContact O-OG1 3.3Å; E386-T389 WeakPolarHBondContact O-CB 3.42Å; E386-T389 PolarHBondContact O-N 3.5Å; E386-T389 VanDerWaalsContact O-N 3.15Å; A387-T389 VanDerWaalsContact C-N 3.29Å; A387-T389 PolarHBondContact O-N 2.78Å; T389-L391 VanDerWaalsContact C-N 3.34Å; T389-L391 PolarHBondContact O-N 3.05Å; T389-K392 PolarHBondContact O-N 2.8Å; T389-N393 WeakPolarHBondContact CG2-ND2 3.45Å; T389-N393 WeakPolarHBondContact O-CB 3.43Å; T389-N393 PolarHBondContact O-N 3.2Å
390	A	91.4	Very high	88.1	Confident	15 Å²	15	66.4 Å²	66.4	12%	0.124	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-42.2	174.8	0	0	0	0	0	112	V374 V377 L379 E386 A387 T394	V374-A390 HydrophobicContact CB-CB 4.41Å; V377-A390 HydrophobicContact CB-CB 4.42Å; V377-A390 HydrophobicContact CG1-CB 4.05Å; L379-A390 HydrophobicContact CD2-CB 4.07Å; E386-A390 WeakPolarHBondContact O-CB 3.2Å; E386-A390 PolarHBondContact O-N 3.34Å; A387-A390 PolarHBondContact O-N 3.24Å; A390-T394 VanDerWaalsContact O-CG2 3.3Å; A390-T394 WeakPolarHBondContact O-CG2 3.44Å
391	L	91.3	Very high	88.5	Confident	21 Å²	21	64.5 Å²	64.5	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-33.7	176.2	-73.8	169.7	0	0	0	113.6	L329 F331 I333 L371 V374 A387 T389 T394 L400	L329-L391 HydrophobicContact CD1-CD2 4.03Å; F331-L391 HydrophobicContact CE2-CD1 4.17Å; F331-L391 HydrophobicContact CE2-CD2 4.35Å; F331-L391 HydrophobicContact CZ-CD1 4.42Å; F331-L391 HydrophobicContact CZ-CD2 3.81Å; I333-L391 HydrophobicContact CD1-CD1 3.69Å; I333-L391 HydrophobicContact CG1-CD1 4.16Å; I333-L391 HydrophobicContact CG2-CD1 4.06Å; L371-L391 HydrophobicContact CD1-CD1 4.44Å; V374-L391 HydrophobicContact CG1-CD2 4.11Å; V374-L391 HydrophobicContact CG2-CD2 3.53Å; V374-L391 HydrophobicContact CG2-CG 3.97Å; A387-L391 WeakPolarHBondContact O-CG 3.32Å; A387-L391 PolarHBondContact O-N 2.85Å; T389-L391 VanDerWaalsContact C-N 3.34Å; T389-L391 PolarHBondContact O-N 3.05Å; L391-T394 WeakPolarHBondContact O-CG2 3.34Å; L391-T394 PolarHBondContact O-OG1 2.98Å; L391-L400 HydrophobicContact CD2-CD2 3.96Å
392	K	86.8	Confident	88.9	Confident	141 Å²	141	58.7 Å²	58.7	61%	0.613	30%	0.298	S	S	*	.	H	α-helix	trans	-72.7	-46.8	176.9	-78.1	169.8	-179.5	169.5	0	112.1	K324 V388 T389 T394	K324-K392 PolarHBondContact NZ-O 2.93Å; K324-K392 VanDerWaalsContact NZ-O 3.08Å; V388-K392 HydrophobicContact CG1-CD 3.88Å; V388-K392 VanDerWaalsContact CG1-CE 3.43Å; V388-K392 VanDerWaalsContact CG1-NZ 3.28Å; V388-K392 WeakPolarHBondContact O-CB 3.21Å; V388-K392 VanDerWaalsContact O-CG 3.25Å; V388-K392 WeakPolarHBondContact O-CG 3.46Å; V388-K392 PolarHBondContact O-N 3.27Å; T389-K392 PolarHBondContact O-N 2.8Å; K392-T394 PolarHBondContact O-N 2.82Å
393	N	85.6	Confident	89	Confident	133 Å²	133	57.7 Å²	57.7	71%	0.711	29%	0.292	S	S	*	.	S	Bend	trans	-77	33.7	-175.2	-66.7	-7.7	0	0	0	113.6	T389	T389-N393 WeakPolarHBondContact CG2-ND2 3.45Å; T389-N393 WeakPolarHBondContact O-CB 3.43Å; T389-N393 PolarHBondContact O-N 3.2Å
394	T	87.4	Confident	88.6	Confident	14 Å²	14	56.9 Å²	56.9	9%	0.086	28%	0.284	C	S	.	.			trans	-98.7	148	175.6	54.5	0	0	0	0	111.6	K324 V374 A390 L391 K392 V398	K324-T394 PolarHBondContact NZ-O 3.16Å; K324-T394 PolarHBondContact NZ-OG1 3.44Å; V374-T394 HydrophobicContact CG1-CG2 3.71Å; A390-T394 VanDerWaalsContact O-CG2 3.3Å; A390-T394 WeakPolarHBondContact O-CG2 3.44Å; L391-T394 WeakPolarHBondContact O-CG2 3.34Å; L391-T394 PolarHBondContact O-OG1 2.98Å; K392-T394 PolarHBondContact O-N 2.82Å; T394-V398 HydrophobicContact CG2-CB 4.5Å; T394-V398 HydrophobicContact CG2-CG1 3.88Å; T394-V398 HydrophobicContact CG2-CG2 3.84Å
395	S	82.4	Confident	87.3	Confident	78 Å²	78	59 Å²	59	55%	0.545	30%	0.301	S	S	.	.			trans	-72.2	-175.3	164	57	0	0	0	0	111.3	F397	S395-F397 PolarHBondContact O-N 3.14Å; S395-F397 VanDerWaalsContact O-N 3.15Å; S395-F397 PolarHBondContact OG-O 2.91Å
396	D	82.2	Confident	85.2	Confident	111 Å²	111	56.7 Å²	56.7	59%	0.594	30%	0.296	S	S	*	.	S	Bend	trans	-64.5	-16.6	-178.9	-56.7	-37.9	0	0	0	113.9	I323 K324	I323-D396 CarbonylContact C-O 3.58Å; I323-D396 VanDerWaalsContact CA-O 3.29Å; I323-D396 WeakPolarHBondContact CA-O 3.41Å; K324-D396 PolarHBondContact N-O 2.98Å
397	F	88.4	Confident	82.8	Confident	100 Å²	100	56.9 Å²	56.9	44%	0.439	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.7	171.7	-65.7	-78.8	0	0	0	110.2	K321 I323 S395	K321-F397 VanDerWaalsContact CE-CD1 3.5Å; I323-F397 HydrophobicContact CD1-CD1 4.39Å; I323-F397 HydrophobicContact CD1-CE1 3.78Å; I323-F397 HydrophobicContact CG1-CD1 3.89Å; I323-F397 HydrophobicContact CG1-CE1 3.78Å; S395-F397 PolarHBondContact O-N 3.14Å; S395-F397 VanDerWaalsContact O-N 3.15Å; S395-F397 PolarHBondContact OG-O 2.91Å
398	V	91.7	Very high	80	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.5	-180	-170.3	0	0	0	0	109.9	K321 L322 L329 V374 T394 L400	K321-V398 CarbonylContact C-O 3.54Å; K321-V398 WeakPolarHBondContact CA-O 3.5Å; L322-V398 PolarHBondContact N-O 2.85Å; L322-V398 PolarHBondContact O-N 3.08Å; L329-V398 HydrophobicContact CD1-CG1 4.32Å; L329-V398 HydrophobicContact CD1-CG2 4.2Å; L329-V398 HydrophobicContact CD2-CB 4.1Å; L329-V398 HydrophobicContact CD2-CG2 3.59Å; L329-V398 HydrophobicContact CG-CG2 4.49Å; V374-V398 HydrophobicContact CG1-CG1 3.94Å; T394-V398 HydrophobicContact CG2-CB 4.5Å; T394-V398 HydrophobicContact CG2-CG1 3.88Å; T394-V398 HydrophobicContact CG2-CG2 3.84Å; V398-L400 HydrophobicContact CG1-CD2 3.77Å; V398-L400 HydrophobicContact CG1-CG 4.27Å
399	Y	91	Very high	77.1	Confident	110 Å²	110	71.9 Å²	71.9	43%	0.431	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.4	167.4	-58.7	-92.5	0	0	0	108.1	I320 K321 N375	I320-Y399 CarbonylContact O-C 3.59Å; I320-Y399 WeakPolarHBondContact O-CA 3.37Å; K321-Y399 HydrophobicContact CB-CD1 4.01Å; K321-Y399 HydrophobicContact CB-CE1 4.01Å; K321-Y399 HydrophobicContact CD-CD1 4.37Å; K321-Y399 HydrophobicContact CD-CE1 3.57Å; K321-Y399 WeakPolarHBondContact CE-OH 3.35Å; K321-Y399 HydrophobicContact CG-CD1 4.06Å; K321-Y399 HydrophobicContact CG-CE1 3.75Å; K321-Y399 PolarHBondContact NZ-OH 2.97Å; N375-Y399 PolarHBondContact N-O 2.96Å; N375-Y399 PolarHBondContact OD1-N 2.91Å
400	L	94.6	Very high	74.1	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.2	174.2	-58.3	177.1	0	0	0	108.1	E319 I320 L322 F331 L365 A373 V374 L391 V398 V402	E319-L400 CarbonylContact C-O 3.55Å; E319-L400 WeakPolarHBondContact CA-O 3.46Å; I320-L400 HydrophobicContact CB-CB 4.46Å; I320-L400 PolarHBondContact N-O 3.42Å; I320-L400 PolarHBondContact O-N 3.03Å; L322-L400 HydrophobicContact CD1-CD1 3.73Å; L322-L400 HydrophobicContact CG-CD1 4.37Å; F331-L400 HydrophobicContact CE1-CD1 3.79Å; F331-L400 HydrophobicContact CZ-CD1 3.75Å; L365-L400 HydrophobicContact CD1-CD1 4.38Å; L365-L400 HydrophobicContact CD2-CD1 4.39Å; A373-L400 WeakPolarHBondContact O-CA 3.5Å; V374-L400 HydrophobicContact CB-CD2 4.43Å; V374-L400 HydrophobicContact CG1-CD2 4.3Å; V374-L400 HydrophobicContact CG2-CD2 3.83Å; L391-L400 HydrophobicContact CD2-CD2 3.96Å; V398-L400 HydrophobicContact CG1-CD2 3.77Å; V398-L400 HydrophobicContact CG1-CG 4.27Å; L400-V402 HydrophobicContact CB-CG2 3.79Å
401	K	91.9	Very high	71	Confident	79 Å²	79	82.5 Å²	82.5	34%	0.343	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.3	167.8	-168.6	-179.2	178.1	-171.4	0	107.6	I317 E319 L372 A373	I317-K401 HydrophobicContact CG2-CD 4.43Å; I317-K401 HydrophobicContact CG2-CG 3.84Å; E319-K401 HydrophobicContact CG-CG 4.34Å; L372-K401 HydrophobicContact CB-CB 4.44Å; L372-K401 HydrophobicContact CB-CD 4.46Å; L372-K401 HydrophobicContact CB-CG 4.33Å; L372-K401 PolarHBondContact N-O 3.4Å; A373-K401 HydrophobicContact CB-CB 3.81Å; A373-K401 HydrophobicContact CB-CD 4.45Å; A373-K401 PolarHBondContact N-O 2.84Å; A373-K401 PolarHBondContact O-N 2.7Å
402	V	91.4	Very high	67.8	Low	0 Å²	0	88.1 Å²	88.1	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.1	-164.8	-174.2	0	0	0	0	110	I317 M318 I320 L365 D369 K370 L371 L400	I317-V402 CarbonylContact C-O 3.2Å; I317-V402 WeakPolarHBondContact CA-O 3.46Å; M318-V402 PolarHBondContact N-O 2.92Å; M318-V402 PolarHBondContact O-N 2.76Å; I320-V402 HydrophobicContact CD1-CB 4.37Å; I320-V402 HydrophobicContact CD1-CG2 3.88Å; I320-V402 HydrophobicContact CG1-CG2 4.27Å; L365-V402 HydrophobicContact CD1-CG1 4.2Å; L365-V402 HydrophobicContact CD1-CG2 3.95Å; D369-V402 HydrophobicContact CB-CG1 3.67Å; K370-V402 CarbonylContact O-C 3.57Å; K370-V402 WeakPolarHBondContact O-CA 3.45Å; K370-V402 WeakPolarHBondContact O-CG1 3.42Å; L371-V402 HydrophobicContact CD2-CG1 4.42Å; L371-V402 HydrophobicContact CD2-CG2 3.81Å; L400-V402 HydrophobicContact CB-CG2 3.79Å
403	A	85	Confident	65	Low	1 Å²	1	83.8 Å²	83.8	1%	0.008	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.4	165.5	0	0	0	0	0	109.7	E315 K370 L372	E315-A403 HydrophobicContact CB-CB 3.92Å; E315-A403 HydrophobicContact CG-CB 4.29Å; E315-A403 WeakPolarHBondContact OE2-CB 3.38Å; K370-A403 HydrophobicContact CB-CB 3.95Å; K370-A403 HydrophobicContact CD-CB 4.44Å; K370-A403 HydrophobicContact CG-CB 4.17Å; K370-A403 PolarHBondContact N-O 3.35Å; K370-A403 VanDerWaalsContact N-O 3.08Å; K370-A403 PolarHBondContact O-N 3.5Å; L372-A403 HydrophobicContact CD1-CB 4Å; L372-A403 HydrophobicContact CD2-CB 4.27Å; L372-A403 HydrophobicContact CG-CB 4.13Å
404	K	81.4	Confident	62.2	Low	27 Å²	27	88.2 Å²	88.2	12%	0.117	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.3	166.8	-69.4	-62.9	-168.2	172.3	0	109.4	R316 M318 K364 D369 T406	R316-K404 HydrophobicContact CB-CB 4.44Å; R316-K404 PolarHBondContact N-O 3.28Å; R316-K404 WeakPolarHBondContact O-CB 3.34Å; R316-K404 PolarHBondContact O-N 2.92Å; M318-K404 HydrophobicContact CE-CD 4.46Å; M318-K404 VanDerWaalsContact CE-CE 3.42Å; M318-K404 HydrophobicContact CE-CG 4.29Å; K364-K404 VanDerWaalsContact O-CE 3.29Å; K364-K404 WeakPolarHBondContact O-CE 3.42Å; K364-K404 PolarHBondContact O-NZ 3.45Å; D369-K404 WeakPolarHBondContact OD1-CD 3.35Å; D369-K404 WeakPolarHBondContact OD1-CE 3.48Å; D369-K404 IonicContact OD1-NZ 2.73Å; D369-K404 PolarHBondContact OD1-NZ 3.46Å; D369-K404 WeakPolarHBondContact OD2-CE 3.34Å; D369-K404 IonicContact OD2-NZ 2.71Å; D369-K404 PolarHBondContact OD2-NZ 2.95Å; K404-T406 PolarHBondContact O-N 3.38Å
405	P	61.7	Low	59.3	Low	81 Å²	81	91.4 Å²	91.4	53%	0.526	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-61.7	132.7	164.8	26.8	-32.4	0	0	0	109.1	S407	P405-S407 PolarHBondContact O-N 3.15Å
406	T	45.9	Very low	56.8	Low	72 Å²	72	93.2 Å²	93.2	44%	0.442	49%	0.493	S	S	.	.			trans	-71.9	104.4	179.9	-63.8	0	0	0	0	108.8	S314 K404 M408	S314-T406 PolarHBondContact O-OG1 2.87Å; K404-T406 PolarHBondContact O-N 3.38Å; T406-M408 PolarHBondContact O-N 3.46Å; T406-M408 VanDerWaalsContact O-N 3.07Å
407	S	38.2	Very low	54.4	Low	110 Å²	110	94.2 Å²	94.2	77%	0.769	51%	0.505	S	S	*	.			trans	-64.2	108.7	-169.2	-173.6	0	0	0	0	113	P405	P405-S407 PolarHBondContact O-N 3.15Å
408	M	30.6	Very low	51.5	Low	149 Å²	149	96.5 Å²	96.5	73%	0.734	52%	0.522	S	S	*	.			trans	-126	89.9	163.4	-60.4	-111.3	68.6	0	0	107.1	T406	T406-M408 PolarHBondContact O-N 3.46Å; T406-M408 VanDerWaalsContact O-N 3.07Å
409	Y	30.1	Very low	48.3	Very low	200 Å²	200	104.8 Å²	104.8	78%	0.784	57%	0.565	S	S	*	*			trans	45.8	81.8	165.9	-59.8	-83.9	0	0	0	118.6
410	I	28	Very low	45.2	Very low	176 Å²	176	105.2 Å²	105.2	90%	0.903	58%	0.579	S	S	*	*			trans	-111.6	93.7	130	-60.2	-179.5	0	0	0	106.9
411	N	25.8	Very low	41.8	Very low	128 Å²	128	112.3 Å²	112.3	68%	0.684	62%	0.617	S	S	*	*			trans	-141.2	96.9	167.3	-178.9	74.7	0	0	0	109.6
412	D	23.8	Very low	38.5	Very low	139 Å²	139	114 Å²	114	74%	0.743	64%	0.638	S	S	*	*			trans	-132.7	61.4	145.9	-154.4	-5.7	0	0	0	109.4	Y414	D412-Y414 WeakPolarHBondContact OD1-CD2 3.47Å
413	G	28.8	Very low	35.4	Very low	50 Å²	50	118.5 Å²	118.5	52%	0.515	67%	0.67	S	S	.	*			trans	-107.7	95.1	166.8	0	0	0	0	0	108.6	A415	G413-A415 PolarHBondContact O-N 2.95Å
414	Y	26.4	Very low	32.6	Very low	226 Å²	226	127.4 Å²	127.4	89%	0.886	71%	0.712	S	S	*	*			trans	-69.2	81.8	174.9	-104.2	-87.8	0	0	0	111	D412	D412-Y414 WeakPolarHBondContact OD1-CD2 3.47Å
415	A	26.5	Very low	31	Very low	81 Å²	81	130.8 Å²	130.8	67%	0.669	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-72.4	153.1	168.1	0	0	0	0	0	110.7	G413	G413-A415 PolarHBondContact O-N 2.95Å
416	P	29.8	Very low	29.4	Very low	116 Å²	116	134 Å²	134	75%	0.753	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-77.9	150.2	-169.1	31.4	-36.3	0	0	0	113.3
417	P	31.7	Very low	28.5	Very low	132 Å²	132	136.7 Å²	136.7	86%	0.857	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-83.8	121	164.6	32.8	-29.6	0	0	0	110.3
418	D	26.4	Very low	27.9	Very low	149 Å²	149	136.5 Å²	136.5	80%	0.797	76%	0.756	S	S	*	*			trans	-134.3	95.4	171.5	-144.7	-10.2	0	0	0	109.6
419	I	26.1	Very low	27.8	Very low	173 Å²	173	137 Å²	137	89%	0.887	76%	0.756	S	S	*	*			trans	-136.4	138.2	170.3	-59.3	-177.7	0	0	0	107.4
420	T	25.7	Very low	27.6	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	76%	0.757	S	S	*	*			trans	-97.9	162.8	-164.8	54.2	0	0	0	0	114.5
421	N	23.1	Very low	27.4	Very low	150 Å²	150	130.4 Å²	130.4	80%	0.802	75%	0.75	S	S	*	*			trans	97.8	118	141.5	-148.7	9.8	0	0	0	119.8
422	S	22.6	Very low	28.4	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	75%	0.752	S	S	*	*			trans	67	138.7	164.3	-124.4	0	0	0	0	117.7
423	S	25.2	Very low	28.5	Very low	96 Å²	96	128.2 Å²	128.2	67%	0.671	75%	0.753	S	S	*	*			cis	-165.2	145.4	19.5	56.3	0	0	0	0	115
424	Q	27.3	Very low	28.3	Very low	187 Å²	187	129.6 Å²	129.6	87%	0.874	75%	0.754	S	S	*	*			trans	63.3	154.8	154	-69.9	-71.2	-50.3	0	0	120.9
425	P	47.3	Very low	28.4	Very low	98 Å²	98	129 Å²	129	64%	0.636	75%	0.752	S	S	*	*			trans	-116.3	154.8	-175.4	41.2	-30.1	0	0	0	115.6
426	V	28	Very low	28.6	Very low	150 Å²	150	132.7 Å²	132.7	91%	0.909	76%	0.76	S	S	*	*			trans	-175.7	168.1	153.5	-88.9	0	0	0	0	109.1
427	D	26.1	Very low	28.4	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	76%	0.758	S	S	*	*			cis	-164.4	154.3	-48.9	-169.7	24.9	0	0	0	109.3
428	N	27.4	Very low	28.3	Very low	106 Å²	106	133.1 Å²	133.1	57%	0.567	76%	0.758	S	S	*	*			trans	46.8	132.5	152.3	-90.4	-43.7	0	0	0	125.1
429	H	28.6	Very low	28.3	Very low	160 Å²	160	132.2 Å²	132.2	74%	0.741	76%	0.759	S	S	*	*				109	127.5	119.4	-85.2	-6.6	0	0	0	124.2
430	V	25.7	Very low	28.9	Very low	130 Å²	130	129 Å²	129	79%	0.788	75%	0.749	S	S	*	*			trans	92.1	116.5	133.4	169.4	0	0	0	0	121
431	S	23	Very low	28.8	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	75%	0.752	S	S	*	*			trans	-97.9	-167.1	161.4	-41.5	0	0	0	0	109.7
432	P	46.1	Very low	29	Very low	113 Å²	113	127.1 Å²	127.1	73%	0.734	75%	0.752	S	S	*	*			cis	-142.4	-154.2	1.6	42.9	-21.2	0	0	0	114.5
433	S	25.8	Very low	29.9	Very low	108 Å²	108	128 Å²	128	76%	0.755	76%	0.755	S	S	*	*			trans	81.6	146.2	155.5	-77.2	0	0	0	0	119.3
434	S	25	Very low	30	Very low	79 Å²	79	128 Å²	128	55%	0.552	76%	0.761	S	S	*	*			cis	-170.2	-172.8	-12.2	49	0	0	0	0	112
435	Y	28.7	Very low	30	Very low	214 Å²	214	130.4 Å²	130.4	84%	0.839	76%	0.762	S	S	*	*			trans	85.8	157.7	170.2	-56.8	-81.8	0	0	0	119
436	L	30.2	Very low	29.2	Very low	158 Å²	158	135.9 Å²	135.9	83%	0.827	77%	0.772	S	S	*	*				-174.4	129.9	-52.4	-174.8	73.4	0	0	0	108.2
437	G	26	Very low	29.2	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	76%	0.763	S	S	*	*			trans	177.8	149.4	172.6	0	0	0	0	0	113.4
438	Q	29.6	Very low	29.7	Very low	187 Å²	187	133.3 Å²	133.3	87%	0.874	77%	0.768	S	S	*	*			trans	-135.5	177.8	-170.2	-70.8	-171.8	-5.1	0	0	114.9
439	T	26.1	Very low	29.6	Very low	131 Å²	131	136.2 Å²	136.2	80%	0.804	78%	0.781	S	S	*	*			trans	-75	-171.6	-169.3	51.4	0	0	0	0	113.2
440	P	38.7	Very low	29.5	Very low	106 Å²	106	133.9 Å²	133.9	69%	0.688	78%	0.783	S	S	*	*			cis	-153.8	179.2	20	45.3	-22.9	0	0	0	122.6
441	S	25.3	Very low	29.8	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	79%	0.787	S	S	*	*			trans	85.6	151.8	144.9	67.9	0	0	0	0	122.9
442	S	26.3	Very low	30.4	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	79%	0.787	S	S	*	*			trans	-116.1	-177.2	-163.7	-24.8	0	0	0	0	111.8
443	P	40.8	Very low	29.7	Very low	132 Å²	132	137.2 Å²	137.2	86%	0.857	79%	0.789	S	S	*	*			cis	-142.3	-171.6	48.1	38.7	-15.8	0	0	0	116.4
444	A	27.1	Very low	30.2	Very low	96 Å²	96	140 Å²	140	79%	0.793	80%	0.795	S	S	*	*			trans	-111.2	169.2	-161.8	0	0	0	0	0	116.2
445	R	27.9	Very low	30.4	Very low	237 Å²	237	138.7 Å²	138.7	89%	0.894	79%	0.793	S	S	*	*			trans	-160.4	133.4	149.7	-103.2	179.3	-161.4	-169.4	5.4	113.7
446	Y	30.7	Very low	30.7	Very low	214 Å²	214	136 Å²	136	84%	0.839	79%	0.793	S	S	*	*			trans	57	99.9	151.2	-88	-100.2	0	0	0	123.1
447	S	28.6	Very low	31	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	79%	0.79	S	S	*	*				79.5	151.2	128.1	-60.7	0	0	0	0	121.7
448	P	35.3	Very low	31.7	Very low	120 Å²	120	140 Å²	140	78%	0.779	79%	0.794	S	S	*	*			trans	-128.2	151.2	-150.3	39.2	-22.1	0	0	0	116.4
449	I	26.4	Very low	32.8	Very low	166 Å²	166	135.2 Å²	135.2	85%	0.851	77%	0.773	S	S	*	*			trans	-132.7	152.2	153.7	-69.6	-173	0	0	0	108.3
450	S	26.8	Very low	34.3	Very low	112 Å²	112	132.8 Å²	132.8	78%	0.783	76%	0.759	S	S	*	*			trans	-37.8	138.3	-170	41.1	0	0	0	0	118
451	K	31.6	Very low	36.1	Very low	201 Å²	201	134.9 Å²	134.9	87%	0.874	75%	0.753	S	S	*	*			trans	-113.1	148.1	152.9	-85.3	-168.5	172.3	-172.7	0	109.8
452	A	35.2	Very low	38.7	Very low	91 Å²	91	136 Å²	136	75%	0.752	75%	0.746	S	S	*	*			trans	-74.7	154.1	169.8	0	0	0	0	0	111.9
453	V	31.3	Very low	41.8	Very low	129 Å²	129	134.1 Å²	134.1	78%	0.782	73%	0.73	S	S	*	*			trans	-139.6	113.9	173.5	178	0	0	0	0	102.6
454	L	35.8	Very low	44.2	Very low	167 Å²	167	130.7 Å²	130.7	87%	0.874	70%	0.7	S	S	*	*			cis	57.6	92	25.7	-70.2	-175.9	0	0	0	113.6
455	G	29.9	Very low	47.4	Very low	50 Å²	50	133.1 Å²	133.1	52%	0.515	69%	0.693	S	S	.	*			trans	131.5	95.1	173.6	0	0	0	0	0	111.9	D457	G455-D457 PolarHBondContact O-N 3.49Å; G455-D457 VanDerWaalsContact O-N 3.16Å
456	D	35.3	Very low	50.5	Low	157 Å²	157	121.8 Å²	121.8	84%	0.84	65%	0.65	S	S	*	*			trans	-82.6	65.1	156.5	-172	32.6	0	0	0	107.4	E458	D456-E458 PolarHBondContact O-N 3.09Å
457	D	35.4	Very low	53.5	Low	140 Å²	140	115.2 Å²	115.2	75%	0.749	63%	0.632	S	S	*	*			trans	-74.8	98.8	-172.6	-78.9	-13.5	0	0	0	110	G455 I459	G455-D457 PolarHBondContact O-N 3.49Å; G455-D457 VanDerWaalsContact O-N 3.16Å; D457-I459 PolarHBondContact O-N 3.25Å
458	E	42.6	Very low	56.6	Low	171 Å²	171	110.5 Å²	110.5	80%	0.799	60%	0.599	S	S	*	*			trans	24	83.9	155.1	-166.3	172.4	-170.5	0	0	115	D456 T460	D456-E458 PolarHBondContact O-N 3.09Å; E458-T460 VanDerWaalsContact C-N 3.31Å; E458-T460 PolarHBondContact O-N 3.1Å
459	I	52	Low	59.2	Low	87 Å²	87	110.6 Å²	110.6	45%	0.446	59%	0.588	S	S	.	*			trans	-64.7	91.4	176.2	-58.5	168.2	0	0	0	109.1	D457 R461 Y544	D457-I459 PolarHBondContact O-N 3.25Å; I459-R461 PolarHBondContact O-N 3.24Å; I459-Y544 HydrophobicContact CG2-CD1 4.22Å
460	T	57.7	Low	62.2	Low	80 Å²	80	105.8 Å²	105.8	49%	0.491	56%	0.56	S	S	.	*			trans	-60.2	125.2	-175.8	53.9	0	0	0	0	110.5	E458 E462	E458-T460 VanDerWaalsContact C-N 3.31Å; E458-T460 PolarHBondContact O-N 3.1Å; T460-E462 PolarHBondContact O-N 2.89Å
461	R	75.5	Confident	64.9	Low	150 Å²	150	102 Å²	102	57%	0.566	54%	0.539	S	S	*	.			trans	-74.9	19.2	178.6	-66.2	177.9	171.7	-119.2	-3.5	112.5	I459 Q543 E547	I459-R461 PolarHBondContact O-N 3.24Å; R461-Q543 WeakPolarHBondContact O-CG 3.48Å; R461-Q543 PolarHBondContact O-NE2 3.26Å; R461-E547 IonicContact CZ-OE1 3.12Å; R461-E547 IonicContact NH1-OE1 3.91Å; R461-E547 PolarHBondContact NH1-OE1 2.75Å; R461-E547 IonicContact NH1-OE2 2.82Å; R461-E547 IonicContact NH2-OE1 3.94Å; R461-E547 PolarHBondContact NH2-OE1 3.25Å
462	E	81.5	Confident	67	Low	139 Å²	139	98.9 Å²	98.9	65%	0.65	54%	0.542	S	S	*	.	S	Bend	trans	-88.4	154.3	-174.8	-61.2	-156.7	143.8	0	0	112.4	T460 R464	T460-E462 PolarHBondContact O-N 2.89Å; E462-R464 PolarHBondContact O-N 3.19Å; E462-R464 VanDerWaalsContact O-N 3.14Å
463	P	89.5	Confident	68.9	Low	74 Å²	74	99.1 Å²	99.1	48%	0.481	53%	0.534	S	S	.	.			trans	-64.4	107.4	171	-23.3	36.1	0	0	0	112.2	I512 V541 A542 Q543	P463-I512 HydrophobicContact CB-CD1 3.78Å; P463-I512 HydrophobicContact CG-CD1 3.81Å; P463-V541 HydrophobicContact CB-CG1 3.81Å; P463-A542 CarbonylContact C-O 3.52Å; P463-A542 WeakPolarHBondContact CA-O 3.39Å; P463-Q543 HydrophobicContact CG-CB 4.43Å; P463-Q543 HydrophobicContact CG-CG 4.42Å
464	R	92.8	Very high	71.6	Confident	61 Å²	61	94.1 Å²	94.1	23%	0.23	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.4	177.3	61.6	-174.5	-175.9	-80.1	-5.9	112	E462 E504 D509 V541 A542	E462-R464 PolarHBondContact O-N 3.19Å; E462-R464 VanDerWaalsContact O-N 3.14Å; R464-E504 VanDerWaalsContact CZ-O 3.28Å; R464-E504 PolarHBondContact NE-O 3.13Å; R464-E504 PolarHBondContact NH2-O 2.88Å; R464-D509 IonicContact CZ-OD1 2.7Å; R464-D509 IonicContact CZ-OD2 3.32Å; R464-D509 IonicContact NH1-OD1 3.4Å; R464-D509 PolarHBondContact NH1-OD1 2.69Å; R464-D509 IonicContact NH2-OD1 3.61Å; R464-D509 PolarHBondContact NH2-OD1 3.27Å; R464-D509 IonicContact NH2-OD2 3.48Å; R464-D509 PolarHBondContact NH2-OD2 2.85Å; R464-V541 WeakPolarHBondContact O-CA 3.43Å; R464-A542 PolarHBondContact N-O 2.84Å; R464-A542 PolarHBondContact O-N 3.45Å
465	K	93	Very high	74.1	Confident	146 Å²	146	86.9 Å²	86.9	64%	0.635	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	93.7	-173.5	-176.5	-165.3	176.5	-171.2	0	110.7	T539 I540 V541	K465-T539 HydrophobicContact CD-CG2 4.18Å; K465-T539 HydrophobicContact CG-CG2 3.75Å; K465-I540 CarbonylContact C-O 3.6Å; K465-I540 WeakPolarHBondContact CA-O 3.44Å; K465-V541 HydrophobicContact CB-CG2 4.41Å; K465-V541 HydrophobicContact CG-CG2 4.29Å
466	V	93.6	Very high	76.7	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	146.6	178.8	-177.8	0	0	0	0	110.8	L468 E504 L505 T539 I540	V466-L468 HydrophobicContact CG1-CD2 3.63Å; V466-L468 HydrophobicContact CG1-CG 3.89Å; V466-E504 VanDerWaalsContact CA-OE2 3.28Å; V466-E504 WeakPolarHBondContact CA-OE2 3.24Å; V466-E504 HydrophobicContact CB-CB 4.36Å; V466-E504 WeakPolarHBondContact CB-OE2 3.41Å; V466-E504 HydrophobicContact CG1-CB 3.99Å; V466-E504 WeakPolarHBondContact CG1-OE2 3.26Å; V466-E504 HydrophobicContact CG2-CB 3.57Å; V466-E504 WeakPolarHBondContact CG2-OE2 3.46Å; V466-L505 HydrophobicContact CB-CD2 4.27Å; V466-L505 HydrophobicContact CB-CG 4.49Å; V466-L505 HydrophobicContact CG1-CD1 4.5Å; V466-L505 HydrophobicContact CG1-CD2 4.48Å; V466-L505 HydrophobicContact CG1-CG 4.16Å; V466-L505 HydrophobicContact CG2-CD2 3.66Å; V466-L505 HydrophobicContact CG2-CG 4.14Å; V466-T539 CarbonylContact O-C 3.56Å; V466-T539 WeakPolarHBondContact O-CA 3.32Å; V466-I540 PolarHBondContact N-O 3.03Å; V466-I540 PolarHBondContact O-N 3.43Å
467	V	93.3	Very high	79.3	Confident	75 Å²	75	78.5 Å²	78.5	46%	0.455	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	108.5	170.7	-177.5	0	0	0	0	110.2
468	L	93.6	Very high	81.8	Confident	4 Å²	4	76.2 Å²	76.2	2%	0.021	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.7	178.5	-60.4	-172.6	0	0	0	112	V466 L475 F477 A499 L505 V538 I540	V466-L468 HydrophobicContact CG1-CD2 3.63Å; V466-L468 HydrophobicContact CG1-CG 3.89Å; L468-L475 HydrophobicContact CB-CD2 4.07Å; L468-L475 HydrophobicContact CD1-CB 4.3Å; L468-F477 HydrophobicContact CD1-CD1 4.19Å; L468-F477 HydrophobicContact CD1-CE1 3.88Å; L468-A499 HydrophobicContact CD1-CB 3.89Å; L468-L505 HydrophobicContact CD1-CD1 3.81Å; L468-V538 PolarHBondContact N-O 3Å; L468-V538 PolarHBondContact O-N 2.7Å; L468-I540 HydrophobicContact CD1-CD1 4.02Å; L468-I540 HydrophobicContact CG-CD1 4.47Å
469	H	90.4	Very high	84.2	Confident	122 Å²	122	69.3 Å²	69.3	57%	0.565	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.9	167.3	-71.3	-73	0	0	0	110.9	G471 P498 Q536	H469-G471 PolarHBondContact O-N 3.23Å; H469-P498 WeakPolarHBondContact O-CB 3.4Å; H469-P498 WeakPolarHBondContact O-CG 3.23Å; H469-Q536 WeakPolarHBondContact CA-O 3.34Å
470	R	89.4	Confident	85.8	Confident	65 Å²	65	67 Å²	67	25%	0.245	36%	0.36	C	S	.	.			trans	-72.4	114.1	-177.9	177.6	163	-69.6	168.5	1.6	111.3	G474 L475 L531 K532 G535 Q536	R470-G474 CarbonylContact C-O 3.58Å; R470-L475 HydrophobicContact CB-CD2 4.31Å; R470-L531 PolarHBondContact NH2-O 3.38Å; R470-K532 PolarHBondContact NH1-O 3.46Å; R470-K532 PolarHBondContact NH2-O 2.98Å; R470-G535 PolarHBondContact NE-O 3.41Å; R470-G535 PolarHBondContact NH1-O 3.5Å; R470-Q536 PolarHBondContact N-O 3.28Å; R470-Q536 PolarHBondContact O-NE2 3.12Å
471	G	83	Confident	87.3	Confident	33 Å²	33	63.7 Å²	63.7	34%	0.34	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-82.4	-179.7	172.1	0	0	0	0	0	112.7	H469 T473 G474	H469-G471 PolarHBondContact O-N 3.23Å; G471-T473 PolarHBondContact O-N 2.71Å; G471-G474 PolarHBondContact N-O 3.11Å; G471-G474 PolarHBondContact O-N 3.11Å
472	S	75.8	Confident	87.8	Confident	135 Å²	135	57.1 Å²	57.1	94%	0.944	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.2	177.3	49.2	0	0	0	0	113.8
473	T	74.8	Confident	87.8	Confident	97 Å²	97	57 Å²	57	60%	0.595	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	9.2	177.9	50.7	0	0	0	0	113.4	G471	G471-T473 PolarHBondContact O-N 2.71Å
474	G	88.2	Confident	87.2	Confident	23 Å²	23	59.9 Å²	59.9	24%	0.237	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	96.1	-130.8	-176	0	0	0	0	0	112.5	R470 G471	R470-G474 CarbonylContact C-O 3.58Å; G471-G474 PolarHBondContact N-O 3.11Å; G471-G474 PolarHBondContact O-N 3.11Å
475	L	88.4	Confident	86.4	Confident	16 Å²	16	60 Å²	60	8%	0.084	35%	0.353	C	S	.	.	S	Bend	trans	-101.7	-10.1	-178.9	-61.5	172.7	0	0	0	113.7	L468 R470 F477 A499 L531 V538	L468-L475 HydrophobicContact CB-CD2 4.07Å; L468-L475 HydrophobicContact CD1-CB 4.3Å; R470-L475 HydrophobicContact CB-CD2 4.31Å; L475-F477 HydrophobicContact CB-CD1 3.85Å; L475-F477 HydrophobicContact CB-CE1 3.55Å; L475-F477 HydrophobicContact CD1-CE1 3.94Å; L475-F477 HydrophobicContact CD1-CZ 4.25Å; L475-F477 HydrophobicContact CG-CE1 4.39Å; L475-A499 WeakPolarHBondContact O-CB 3.47Å; L475-A499 PolarHBondContact O-N 2.81Å; L475-L531 HydrophobicContact CD1-CD2 3.96Å; L475-V538 HydrophobicContact CD1-CB 4.21Å; L475-V538 HydrophobicContact CD1-CG1 3.99Å; L475-V538 HydrophobicContact CD1-CG2 4.16Å; L475-V538 HydrophobicContact CD2-CB 4.03Å; L475-V538 HydrophobicContact CD2-CG2 3.81Å
476	G	84.4	Confident	86.1	Confident	6 Å²	6	55.5 Å²	55.5	6%	0.062	33%	0.333	C	S	.	.	S	Bend	trans	78.1	29.2	176.6	0	0	0	0	0	115.3	L494	G476-L494 WeakPolarHBondContact O-CB 3.46Å; G476-L494 PolarHBondContact O-N 3.21Å
477	F	90.5	Very high	85.9	Confident	24 Å²	24	55.6 Å²	55.6	11%	0.105	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.1	171.5	69.1	-90.4	0	0	0	111.9	L468 L475 I479 I490 F492 I493 A499 L505 I511 L531 I540	L468-F477 HydrophobicContact CD1-CD1 4.19Å; L468-F477 HydrophobicContact CD1-CE1 3.88Å; L475-F477 HydrophobicContact CB-CD1 3.85Å; L475-F477 HydrophobicContact CB-CE1 3.55Å; L475-F477 HydrophobicContact CD1-CE1 3.94Å; L475-F477 HydrophobicContact CD1-CZ 4.25Å; L475-F477 HydrophobicContact CG-CE1 4.39Å; F477-I479 HydrophobicContact CD2-CG2 4Å; F477-I479 HydrophobicContact CE2-CG2 3.64Å; F477-I490 HydrophobicContact CB-CG2 4.12Å; F477-I490 HydrophobicContact CD2-CD1 3.95Å; F477-I490 HydrophobicContact CD2-CG1 3.91Å; F477-I490 HydrophobicContact CD2-CG2 4.3Å; F477-I490 HydrophobicContact CE2-CD1 4.21Å; F477-I490 HydrophobicContact CE2-CG1 4.22Å; F477-I490 HydrophobicContact CG-CD1 4.35Å; F477-F492 CarbonylContact C-O 3.46Å; F477-F492 VanDerWaalsContact CA-O 3.24Å; F477-F492 WeakPolarHBondContact CA-O 3.38Å; F477-F492 WeakPolarHBondContact CB-O 3.41Å; F477-I493 HydrophobicContact CB-CG1 4.03Å; F477-A499 HydrophobicContact CB-CB 4.26Å; F477-A499 HydrophobicContact CD1-CB 3.91Å; F477-L505 HydrophobicContact CD1-CD1 4.17Å; F477-L505 HydrophobicContact CE1-CD1 4.14Å; F477-I511 HydrophobicContact CE2-CD1 3.78Å; F477-I511 HydrophobicContact CZ-CD1 4.31Å; F477-L531 HydrophobicContact CE2-CD1 4.12Å; F477-L531 HydrophobicContact CZ-CD1 4.2Å; F477-L531 HydrophobicContact CZ-CD2 3.8Å; F477-I540 HydrophobicContact CE1-CD1 3.66Å; F477-I540 HydrophobicContact CZ-CD1 3.59Å
478	N	87.6	Confident	86	Confident	92 Å²	92	52 Å²	52	49%	0.492	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149	176.3	-64.7	-11.5	0	0	0	110.8	I490 S491 F492	N478-I490 WeakPolarHBondContact O-CA 3.33Å; N478-S491 PolarHBondContact O-N 2.77Å; N478-S491 VanDerWaalsContact O-N 3.08Å; N478-F492 HydrophobicContact CB-CB 4.18Å; N478-F492 PolarHBondContact N-O 2.92Å
479	I	92.6	Very high	86	Confident	26 Å²	26	52.1 Å²	52.1	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.4	174.5	60.8	161.2	0	0	0	112.5	F477 I488 F489 I511 H524 A527 A528 L531	F477-I479 HydrophobicContact CD2-CG2 4Å; F477-I479 HydrophobicContact CE2-CG2 3.64Å; I479-I488 HydrophobicContact CB-CG2 4Å; I479-I488 HydrophobicContact CD1-CG2 3.98Å; I479-I488 HydrophobicContact CG2-CG2 4.11Å; I479-F489 CarbonylContact C-O 3.54Å; I479-F489 VanDerWaalsContact CA-O 3.25Å; I479-F489 WeakPolarHBondContact CA-O 3.49Å; I479-I511 HydrophobicContact CG2-CD1 3.65Å; I479-H524 PolarHBondContact O-CE1 3.19Å; I479-A527 HydrophobicContact CD1-CB 3.94Å; I479-A528 HydrophobicContact CD1-CB 4.44Å; I479-L531 HydrophobicContact CD1-CD1 4.02Å; I479-L531 HydrophobicContact CG2-CD1 3.99Å
480	V	86.7	Confident	86.1	Confident	39 Å²	39	46.3 Å²	46.3	24%	0.236	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	169.9	173.5	-64.3	0	0	0	0	110.4	I488 F489 Y549 F552	V480-I488 WeakPolarHBondContact O-CA 3.25Å; V480-F489 HydrophobicContact CG2-CB 4.26Å; V480-F489 PolarHBondContact N-O 3.11Å; V480-F489 PolarHBondContact O-N 2.85Å; V480-Y549 HydrophobicContact CG2-CE2 3.84Å; V480-F552 HydrophobicContact CB-CE1 3.82Å; V480-F552 HydrophobicContact CB-CZ 4.16Å; V480-F552 HydrophobicContact CG2-CD1 4.17Å; V480-F552 HydrophobicContact CG2-CE1 3.53Å; V480-F552 HydrophobicContact CG2-CZ 4.28Å
481	G	89.1	Confident	86	Confident	10 Å²	10	44.4 Å²	44.4	10%	0.103	28%	0.283	C	S	.	.			trans	78.6	-171.3	-173.7	0	0	0	0	0	112.7	G487 H524	G481-G487 WeakPolarHBondContact CA-O 3.41Å; G481-H524 WeakPolarHBondContact O-CB 3.24Å; G481-H524 PolarHBondContact O-ND1 2.8Å; G481-H524 VanDerWaalsContact O-ND1 3.15Å
482	G	85.8	Confident	86.2	Confident	12 Å²	12	47.7 Å²	47.7	12%	0.124	29%	0.288	C	S	.	.			trans	87.4	26.1	-169.4	0	0	0	0	0	114.3	E486 S523 H524	G482-E486 WeakPolarHBondContact CA-O 3.4Å; G482-E486 PolarHBondContact N-O 3.21Å; G482-E486 VanDerWaalsContact N-O 3.07Å; G482-S523 VanDerWaalsContact O-CA 3.31Å; G482-S523 WeakPolarHBondContact O-CA 3.44Å; G482-H524 PolarHBondContact O-N 2.9Å; G482-H524 VanDerWaalsContact O-N 3.1Å
483	E	81.5	Confident	86.4	Confident	136 Å²	136	42.7 Å²	42.7	64%	0.636	25%	0.251	S	S	*	.	S	Bend	trans	-123	150.4	171.6	-171.6	163.5	-148.2	0	0	107.7	G485 E486	E483-G485 PolarHBondContact O-N 3.04Å; E483-E486 VanDerWaalsContact O-CB 3.31Å; E483-E486 WeakPolarHBondContact O-CB 3.4Å; E483-E486 WeakPolarHBondContact O-CG 3.35Å; E483-E486 PolarHBondContact O-N 2.84Å
484	D	77.3	Confident	86.2	Confident	135 Å²	135	41.4 Å²	41.4	72%	0.722	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	19.4	-175.1	-61.4	-24.7	0	0	0	117	K555	D484-K555 IonicContact OD2-NZ 3.55Å; D484-K555 PolarHBondContact OD2-NZ 3.12Å
485	G	74.8	Confident	85.4	Confident	65 Å²	65	44.2 Å²	44.2	67%	0.67	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	9.7	-174.5	0	0	0	0	0	114.8	E483	E483-G485 PolarHBondContact O-N 3.04Å
486	E	86.6	Confident	84.5	Confident	50 Å²	50	46 Å²	46	23%	0.234	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-72.4	146.3	175.6	-61.1	-175.1	144.9	0	0	111.6	G482 E483 F552 K555	G482-E486 WeakPolarHBondContact CA-O 3.4Å; G482-E486 PolarHBondContact N-O 3.21Å; G482-E486 VanDerWaalsContact N-O 3.07Å; E483-E486 VanDerWaalsContact O-CB 3.31Å; E483-E486 WeakPolarHBondContact O-CB 3.4Å; E483-E486 WeakPolarHBondContact O-CG 3.35Å; E483-E486 PolarHBondContact O-N 2.84Å; E486-F552 HydrophobicContact CB-CD2 4.45Å; E486-F552 WeakPolarHBondContact OE2-CD2 3.45Å; E486-K555 WeakPolarHBondContact OE1-CD 3.39Å; E486-K555 WeakPolarHBondContact OE1-CE 3.22Å; E486-K555 IonicContact OE1-NZ 3.17Å; E486-K555 PolarHBondContact OE1-NZ 2.82Å; E486-K555 IonicContact OE2-NZ 2.72Å; E486-K555 PolarHBondContact OE2-NZ 3Å
487	G	89.9	Confident	84.3	Confident	3 Å²	3	45.8 Å²	45.8	3%	0.031	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.5	155.6	-176.2	0	0	0	0	0	113.7	G481 F489	G481-G487 WeakPolarHBondContact CA-O 3.41Å; G487-F489 WeakPolarHBondContact O-CD2 3.5Å; G487-F489 VanDerWaalsContact O-CE2 3.22Å; G487-F489 WeakPolarHBondContact O-CE2 3.24Å
488	I	95.1	Very high	84.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-79.9	120.5	167.8	-54.5	-65.1	0	0	0	108.4	I479 V480 R510 I511 A527	I479-I488 HydrophobicContact CB-CG2 4Å; I479-I488 HydrophobicContact CD1-CG2 3.98Å; I479-I488 HydrophobicContact CG2-CG2 4.11Å; V480-I488 WeakPolarHBondContact O-CA 3.25Å; I488-R510 CarbonylContact O-C 3.48Å; I488-R510 WeakPolarHBondContact O-CA 3.4Å; I488-I511 HydrophobicContact CB-CB 4.44Å; I488-I511 HydrophobicContact CG2-CB 4.24Å; I488-I511 HydrophobicContact CG2-CD1 4.23Å; I488-I511 HydrophobicContact CG2-CG1 4.47Å; I488-I511 PolarHBondContact O-N 3.42Å; I488-A527 HydrophobicContact CB-CB 4.45Å; I488-A527 HydrophobicContact CD1-CB 3.54Å; I488-A527 HydrophobicContact CG1-CB 3.65Å; I488-A527 HydrophobicContact CG2-CB 4.03Å
489	F	95.1	Very high	84.2	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.022	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.1	-179.4	-59.8	-88.6	0	0	0	112.8	I479 V480 G487 D509 R510 R545 E548 Y549	I479-F489 CarbonylContact C-O 3.54Å; I479-F489 VanDerWaalsContact CA-O 3.25Å; I479-F489 WeakPolarHBondContact CA-O 3.49Å; V480-F489 HydrophobicContact CG2-CB 4.26Å; V480-F489 PolarHBondContact N-O 3.11Å; V480-F489 PolarHBondContact O-N 2.85Å; G487-F489 WeakPolarHBondContact O-CD2 3.5Å; G487-F489 VanDerWaalsContact O-CE2 3.22Å; G487-F489 WeakPolarHBondContact O-CE2 3.24Å; F489-D509 CarbonylContact C-O 3.56Å; F489-D509 VanDerWaalsContact CA-O 3.3Å; F489-D509 WeakPolarHBondContact CA-O 3.22Å; F489-R510 HydrophobicContact CD1-CB 3.74Å; F489-R510 HydrophobicContact CD1-CG 4.15Å; F489-R510 HydrophobicContact CE1-CB 3.66Å; F489-R510 HydrophobicContact CE1-CG 3.89Å; F489-R510 HydrophobicContact CZ-CG 4.31Å; F489-R545 HydrophobicContact CE1-CB 4.25Å; F489-E548 HydrophobicContact CE1-CB 3.85Å; F489-E548 HydrophobicContact CZ-CB 3.72Å; F489-Y549 HydrophobicContact CB-CD2 3.44Å; F489-Y549 VanDerWaalsContact CB-CD2 3.44Å; F489-Y549 HydrophobicContact CB-CE2 3.88Å; F489-Y549 HydrophobicContact CD1-CD2 4.08Å; F489-Y549 HydrophobicContact CD2-CD2 4.35Å; F489-Y549 AromaticContact CG-CD2 3.73Å; F489-Y549 HydrophobicContact CG-CD2 3.73Å
490	I	92.4	Very high	83.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.9	170.4	-60.2	-176.2	0	0	0	109.6	F477 N478 I493 L505 K507 G508 D509 I511	F477-I490 HydrophobicContact CB-CG2 4.12Å; F477-I490 HydrophobicContact CD2-CD1 3.95Å; F477-I490 HydrophobicContact CD2-CG1 3.91Å; F477-I490 HydrophobicContact CD2-CG2 4.3Å; F477-I490 HydrophobicContact CE2-CD1 4.21Å; F477-I490 HydrophobicContact CE2-CG1 4.22Å; F477-I490 HydrophobicContact CG-CD1 4.35Å; N478-I490 WeakPolarHBondContact O-CA 3.33Å; I490-I493 HydrophobicContact CG2-CD1 4.26Å; I490-I493 HydrophobicContact CG2-CG1 3.83Å; I490-L505 HydrophobicContact CD1-CB 4.07Å; I490-L505 HydrophobicContact CD1-CD1 3.83Å; I490-L505 HydrophobicContact CD1-CD2 3.99Å; I490-L505 HydrophobicContact CD1-CG 4.18Å; I490-K507 WeakPolarHBondContact O-CA 3.28Å; I490-G508 PolarHBondContact O-N 3.45Å; I490-D509 HydrophobicContact CB-CB 4.44Å; I490-D509 HydrophobicContact CD1-CB 4.09Å; I490-D509 HydrophobicContact CG1-CB 4.32Å; I490-D509 PolarHBondContact N-O 3.45Å; I490-I511 HydrophobicContact CD1-CD1 4.43Å; I490-I511 HydrophobicContact CD1-CG1 4.43Å; I490-I511 HydrophobicContact CG1-CD1 4.04Å; I490-I511 HydrophobicContact CG1-CG1 4.09Å
491	S	87.2	Confident	83.7	Confident	25 Å²	25	48.3 Å²	48.3	18%	0.175	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-24	-179.8	57.9	0	0	0	0	114.1	N478 K507 Y549	N478-S491 PolarHBondContact O-N 2.77Å; N478-S491 VanDerWaalsContact O-N 3.08Å; S491-K507 WeakPolarHBondContact O-CD 3.14Å; S491-K507 WeakPolarHBondContact O-CE 3.36Å; S491-K507 WeakPolarHBondContact O-CG 3.5Å; S491-Y549 WeakPolarHBondContact CB-OH 3.16Å
492	F	86.1	Confident	83.6	Confident	103 Å²	103	49.9 Å²	49.9	45%	0.452	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	148.7	-176.7	174.5	-101.2	0	0	0	110.7	F477 N478 L494	F477-F492 CarbonylContact C-O 3.46Å; F477-F492 VanDerWaalsContact CA-O 3.24Å; F477-F492 WeakPolarHBondContact CA-O 3.38Å; F477-F492 WeakPolarHBondContact CB-O 3.41Å; N478-F492 HydrophobicContact CB-CB 4.18Å; N478-F492 PolarHBondContact N-O 2.92Å; F492-L494 HydrophobicContact CE1-CB 4.08Å; F492-L494 HydrophobicContact CE1-CD1 4.33Å
493	I	80.1	Confident	83.7	Confident	30 Å²	30	52 Å²	52	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.3	172.8	-65.6	-178.2	0	0	0	108.1	F477 I490 A499 D500 L505	F477-I493 HydrophobicContact CB-CG1 4.03Å; I490-I493 HydrophobicContact CG2-CD1 4.26Å; I490-I493 HydrophobicContact CG2-CG1 3.83Å; I493-A499 HydrophobicContact CG2-CB 4.15Å; I493-D500 HydrophobicContact CG2-CB 3.81Å; I493-L505 HydrophobicContact CD1-CB 3.89Å; I493-L505 WeakPolarHBondContact CD1-O 3.4Å
494	L	70.6	Confident	84	Confident	69 Å²	69	50 Å²	50	36%	0.361	32%	0.318	S	S	.	.			trans	-82.3	113	-178.8	179	67.3	0	0	0	109.5	G476 F492 G496 G497 D500	G476-L494 WeakPolarHBondContact O-CB 3.46Å; G476-L494 PolarHBondContact O-N 3.21Å; F492-L494 HydrophobicContact CE1-CB 4.08Å; F492-L494 HydrophobicContact CE1-CD1 4.33Å; L494-G496 PolarHBondContact O-N 2.99Å; L494-G497 WeakPolarHBondContact O-CA 3.4Å; L494-G497 PolarHBondContact O-N 3.41Å; L494-D500 VanDerWaalsContact O-CB 3.32Å; L494-D500 WeakPolarHBondContact O-CB 3.45Å
495	A	71.3	Confident	84.7	Confident	82 Å²	82	44 Å²	44	68%	0.678	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	133.7	175.2	0	0	0	0	0	111.7	G497 D500	A495-G497 PolarHBondContact O-N 3.17Å; A495-D500 WeakPolarHBondContact CA-OD2 3.34Å
496	G	70.4	Confident	85.5	Confident	54 Å²	54	46.9 Å²	46.9	56%	0.557	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	1.2	-172.2	0	0	0	0	0	115.3	L494 D500 L501	L494-G496 PolarHBondContact O-N 2.99Å; G496-D500 PolarHBondContact N-OD2 2.96Å; G496-L501 WeakPolarHBondContact O-CD1 3.35Å
497	G	79.1	Confident	85.7	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-81.6	166.8	172.7	0	0	0	0	0	112.7	L494 A495 A499 D500 L501	L494-G497 WeakPolarHBondContact O-CA 3.4Å; L494-G497 PolarHBondContact O-N 3.41Å; A495-G497 PolarHBondContact O-N 3.17Å; G497-A499 VanDerWaalsContact C-N 3.32Å; G497-A499 PolarHBondContact O-N 3.07Å; G497-D500 WeakPolarHBondContact O-CB 3.24Å; G497-D500 PolarHBondContact O-N 3.07Å; G497-L501 WeakPolarHBondContact O-CG 3.31Å; G497-L501 PolarHBondContact O-N 3.32Å
498	P	87.1	Confident	85.6	Confident	25 Å²	25	49.2 Å²	49.2	16%	0.162	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.2	-174.1	-27.9	35.5	0	0	0	115.7	H469 S502	H469-P498 WeakPolarHBondContact O-CB 3.4Å; H469-P498 WeakPolarHBondContact O-CG 3.23Å; P498-S502 PolarHBondContact O-N 3.45Å
499	A	89.1	Confident	85.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-40.5	174.7	0	0	0	0	0	113	L468 L475 F477 I493 G497 S502 G503 L505	L468-A499 HydrophobicContact CD1-CB 3.89Å; L475-A499 WeakPolarHBondContact O-CB 3.47Å; L475-A499 PolarHBondContact O-N 2.81Å; F477-A499 HydrophobicContact CB-CB 4.26Å; F477-A499 HydrophobicContact CD1-CB 3.91Å; I493-A499 HydrophobicContact CG2-CB 4.15Å; G497-A499 VanDerWaalsContact C-N 3.32Å; G497-A499 PolarHBondContact O-N 3.07Å; A499-S502 PolarHBondContact O-N 2.87Å; A499-S502 PolarHBondContact O-OG 3.41Å; A499-G503 PolarHBondContact O-N 3Å; A499-L505 HydrophobicContact CB-CD1 4.14Å
500	D	86.3	Confident	85.5	Confident	75 Å²	75	51.7 Å²	51.7	40%	0.401	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-48.5	175.7	-173.3	62.6	0	0	0	111.1	I493 L494 A495 G496 G497 S502 G503	I493-D500 HydrophobicContact CG2-CB 3.81Å; L494-D500 VanDerWaalsContact O-CB 3.32Å; L494-D500 WeakPolarHBondContact O-CB 3.45Å; A495-D500 WeakPolarHBondContact CA-OD2 3.34Å; G496-D500 PolarHBondContact N-OD2 2.96Å; G497-D500 WeakPolarHBondContact O-CB 3.24Å; G497-D500 PolarHBondContact O-N 3.07Å; D500-S502 PolarHBondContact O-N 3Å; D500-S502 VanDerWaalsContact O-N 3.09Å; D500-G503 PolarHBondContact O-N 2.8Å
501	L	82.6	Confident	85.7	Confident	134 Å²	134	51.7 Å²	51.7	70%	0.702	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.1	176.1	-65.7	175.4	0	0	0	114.1	G496 G497	G496-L501 WeakPolarHBondContact O-CD1 3.35Å; G497-L501 WeakPolarHBondContact O-CG 3.31Å; G497-L501 PolarHBondContact O-N 3.32Å
502	S	88.2	Confident	86	Confident	42 Å²	42	51.1 Å²	51.1	29%	0.294	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-29.8	171.3	78.5	0	0	0	0	113.1	P498 A499 D500 E504	P498-S502 PolarHBondContact O-N 3.45Å; A499-S502 PolarHBondContact O-N 2.87Å; A499-S502 PolarHBondContact O-OG 3.41Å; D500-S502 PolarHBondContact O-N 3Å; D500-S502 VanDerWaalsContact O-N 3.09Å; S502-E504 PolarHBondContact O-N 3.38Å; S502-E504 PolarHBondContact OG-N 3.31Å
503	G	86.9	Confident	86.4	Confident	58 Å²	58	47 Å²	47	60%	0.598	27%	0.273	S	S	*	.			trans	66.3	-10.6	-169.2	0	0	0	0	0	115.8	A499 D500	A499-G503 PolarHBondContact O-N 3Å; D500-G503 PolarHBondContact O-N 2.8Å
504	E	88.8	Confident	87.2	Confident	94 Å²	94	45.6 Å²	45.6	44%	0.439	27%	0.266	S	S	.	.			trans	-84.8	-17.5	-170.6	-62.6	-177.2	170.2	0	0	114.2	R464 V466 S502	R464-E504 VanDerWaalsContact CZ-O 3.28Å; R464-E504 PolarHBondContact NE-O 3.13Å; R464-E504 PolarHBondContact NH2-O 2.88Å; V466-E504 VanDerWaalsContact CA-OE2 3.28Å; V466-E504 WeakPolarHBondContact CA-OE2 3.24Å; V466-E504 HydrophobicContact CB-CB 4.36Å; V466-E504 WeakPolarHBondContact CB-OE2 3.41Å; V466-E504 HydrophobicContact CG1-CB 3.99Å; V466-E504 WeakPolarHBondContact CG1-OE2 3.26Å; V466-E504 HydrophobicContact CG2-CB 3.57Å; V466-E504 WeakPolarHBondContact CG2-OE2 3.46Å; S502-E504 PolarHBondContact O-N 3.38Å; S502-E504 PolarHBondContact OG-N 3.31Å
505	L	91.9	Very high	88.1	Confident	8 Å²	8	45.3 Å²	45.3	4%	0.042	27%	0.265	C	S	.	.			trans	-106	147.3	175.6	-64.1	179.4	0	0	0	111.7	V466 L468 F477 I490 I493 A499 D509 I540 A542	V466-L505 HydrophobicContact CB-CD2 4.27Å; V466-L505 HydrophobicContact CB-CG 4.49Å; V466-L505 HydrophobicContact CG1-CD1 4.5Å; V466-L505 HydrophobicContact CG1-CD2 4.48Å; V466-L505 HydrophobicContact CG1-CG 4.16Å; V466-L505 HydrophobicContact CG2-CD2 3.66Å; V466-L505 HydrophobicContact CG2-CG 4.14Å; L468-L505 HydrophobicContact CD1-CD1 3.81Å; F477-L505 HydrophobicContact CD1-CD1 4.17Å; F477-L505 HydrophobicContact CE1-CD1 4.14Å; I490-L505 HydrophobicContact CD1-CB 4.07Å; I490-L505 HydrophobicContact CD1-CD1 3.83Å; I490-L505 HydrophobicContact CD1-CD2 3.99Å; I490-L505 HydrophobicContact CD1-CG 4.18Å; I493-L505 HydrophobicContact CD1-CB 3.89Å; I493-L505 WeakPolarHBondContact CD1-O 3.4Å; A499-L505 HydrophobicContact CB-CD1 4.14Å; L505-D509 WeakPolarHBondContact CA-OD2 3.39Å; L505-I540 HydrophobicContact CD1-CD1 4.19Å; L505-A542 HydrophobicContact CD2-CB 3.7Å
506	R	90.5	Very high	88.6	Confident	125 Å²	125	47.1 Å²	47.1	47%	0.472	27%	0.272	S	S	.	.			trans	-141	156.2	-178.3	-53.5	-174.4	81.8	177.4	3.5	111.4	G508 D509	R506-G508 PolarHBondContact O-N 3.38Å; R506-D509 PolarHBondContact N-OD2 2.84Å; R506-D509 WeakPolarHBondContact O-CB 2.97Å; R506-D509 PolarHBondContact O-N 3.31Å; R506-D509 VanDerWaalsContact O-N 3.16Å
507	K	90.8	Very high	89.6	Confident	102 Å²	102	48.3 Å²	48.3	44%	0.443	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	131.5	170	-175.4	-174.7	-170.1	-143.3	0	109.2	I490 S491 Y544 Y549 E553	I490-K507 WeakPolarHBondContact O-CA 3.28Å; S491-K507 WeakPolarHBondContact O-CD 3.14Å; S491-K507 WeakPolarHBondContact O-CE 3.36Å; S491-K507 WeakPolarHBondContact O-CG 3.5Å; K507-Y544 WeakPolarHBondContact O-CE2 3.35Å; K507-Y549 HydrophobicContact CD-CE1 4.25Å; K507-Y549 WeakPolarHBondContact CE-OH 3.46Å; K507-Y549 HydrophobicContact CG-CE1 4.15Å; K507-E553 WeakPolarHBondContact CE-OE1 3.47Å; K507-E553 IonicContact NZ-OE1 2.74Å; K507-E553 PolarHBondContact NZ-OE1 3.42Å; K507-E553 IonicContact NZ-OE2 2.75Å; K507-E553 PolarHBondContact NZ-OE2 2.9Å
508	G	87.2	Confident	90.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	4.7	-176.5	0	0	0	0	0	114.9	I490 R506 R545	I490-G508 PolarHBondContact O-N 3.45Å; R506-G508 PolarHBondContact O-N 3.38Å; G508-R545 CarbonylContact O-C 3.52Å; G508-R545 PolarHBondContact O-N 2.88Å
509	D	94.6	Very high	90.5	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.7	163.4	-78.8	-27.4	0	0	0	110.8	R464 F489 I490 L505 R506 A542 Y544	R464-D509 IonicContact CZ-OD1 2.7Å; R464-D509 IonicContact CZ-OD2 3.32Å; R464-D509 IonicContact NH1-OD1 3.4Å; R464-D509 PolarHBondContact NH1-OD1 2.69Å; R464-D509 IonicContact NH2-OD1 3.61Å; R464-D509 PolarHBondContact NH2-OD1 3.27Å; R464-D509 IonicContact NH2-OD2 3.48Å; R464-D509 PolarHBondContact NH2-OD2 2.85Å; F489-D509 CarbonylContact C-O 3.56Å; F489-D509 VanDerWaalsContact CA-O 3.3Å; F489-D509 WeakPolarHBondContact CA-O 3.22Å; I490-D509 HydrophobicContact CB-CB 4.44Å; I490-D509 HydrophobicContact CD1-CB 4.09Å; I490-D509 HydrophobicContact CG1-CB 4.32Å; I490-D509 PolarHBondContact N-O 3.45Å; L505-D509 WeakPolarHBondContact CA-OD2 3.39Å; R506-D509 PolarHBondContact N-OD2 2.84Å; R506-D509 WeakPolarHBondContact O-CB 2.97Å; R506-D509 PolarHBondContact O-N 3.31Å; R506-D509 VanDerWaalsContact O-N 3.16Å; D509-A542 HydrophobicContact CB-CB 4.26Å; D509-Y544 VanDerWaalsContact OD1-CA 3.28Å; D509-Y544 WeakPolarHBondContact OD1-CA 2.98Å; D509-Y544 WeakPolarHBondContact OD1-CB 3.43Å; D509-Y544 PolarHBondContact OD1-N 2.64Å
510	R	95.1	Very high	90.6	Very high	56 Å²	56	57.8 Å²	57.8	21%	0.211	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.6	165.9	-171	174.7	176	158.8	0.3	109.3	I488 F489 R520 A542 Q543 R545 E548	I488-R510 CarbonylContact O-C 3.48Å; I488-R510 WeakPolarHBondContact O-CA 3.4Å; F489-R510 HydrophobicContact CD1-CB 3.74Å; F489-R510 HydrophobicContact CD1-CG 4.15Å; F489-R510 HydrophobicContact CE1-CB 3.66Å; F489-R510 HydrophobicContact CE1-CG 3.89Å; F489-R510 HydrophobicContact CZ-CG 4.31Å; R510-R520 PolarHBondContact NH2-O 2.99Å; R510-A542 CarbonylContact O-C 3.55Å; R510-A542 WeakPolarHBondContact O-CA 3.5Å; R510-Q543 PolarHBondContact N-O 3.44Å; R510-Q543 PolarHBondContact O-N 2.94Å; R510-R545 HydrophobicContact CB-CB 4.34Å; R510-R545 HydrophobicContact CB-CG 4.27Å; R510-E548 IonicContact CZ-OE2 3.93Å; R510-E548 IonicContact NH1-OE2 3.96Å; R510-E548 PolarHBondContact NH1-OE2 3.02Å
511	I	95.4	Very high	90.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	121.6	174.5	-56.7	-178.7	0	0	0	108.7	F477 I479 I488 I490 V514 L519 L531 I540	F477-I511 HydrophobicContact CE2-CD1 3.78Å; F477-I511 HydrophobicContact CZ-CD1 4.31Å; I479-I511 HydrophobicContact CG2-CD1 3.65Å; I488-I511 HydrophobicContact CB-CB 4.44Å; I488-I511 HydrophobicContact CG2-CB 4.24Å; I488-I511 HydrophobicContact CG2-CD1 4.23Å; I488-I511 HydrophobicContact CG2-CG1 4.47Å; I488-I511 PolarHBondContact O-N 3.42Å; I490-I511 HydrophobicContact CD1-CD1 4.43Å; I490-I511 HydrophobicContact CD1-CG1 4.43Å; I490-I511 HydrophobicContact CG1-CD1 4.04Å; I490-I511 HydrophobicContact CG1-CG1 4.09Å; I511-V514 HydrophobicContact CG2-CG2 3.88Å; I511-L519 HydrophobicContact CG2-CD1 3.93Å; I511-L531 HydrophobicContact CD1-CD1 4.49Å; I511-I540 HydrophobicContact CG1-CG2 4.44Å; I511-I540 HydrophobicContact CG2-CG2 3.91Å
512	I	94.8	Very high	90.9	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-41.3	-179.8	-68.8	167.6	0	0	0	110.7	P463 L519 R520 V541 Q543	P463-I512 HydrophobicContact CB-CD1 3.78Å; P463-I512 HydrophobicContact CG-CD1 3.81Å; I512-L519 PolarHBondContact O-N 3.27Å; I512-R520 HydrophobicContact CG2-CG 4.07Å; I512-V541 HydrophobicContact CB-CB 4.37Å; I512-V541 HydrophobicContact CB-CG1 4.14Å; I512-V541 HydrophobicContact CG2-CG1 4.33Å; I512-V541 PolarHBondContact N-O 2.92Å; I512-Q543 HydrophobicContact CD1-CB 3.6Å
513	S	94.5	Very high	91	Very high	17 Å²	17	52.6 Å²	52.6	12%	0.119	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	158.9	175.7	68.6	0	0	0	0	113.5	V517 I540 V541	S513-V517 CarbonylContact C-O 3.58Å; S513-V517 WeakPolarHBondContact CA-O 3.35Å; S513-V517 WeakPolarHBondContact CB-O 3.17Å; S513-I540 WeakPolarHBondContact O-CA 3.36Å; S513-V541 PolarHBondContact N-O 3.31Å; S513-V541 PolarHBondContact O-N 2.99Å; S513-V541 WeakPolarHBondContact OG-CB 3.48Å; S513-V541 VanDerWaalsContact OG-CG2 3.3Å; S513-V541 WeakPolarHBondContact OG-CG2 3.35Å
514	V	95.1	Very high	91.2	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121	178.3	173	0	0	0	0	109.3	I511 S516 V517 L519 A530 L531 A534 V538 T539 I540	I511-V514 HydrophobicContact CG2-CG2 3.88Å; V514-S516 PolarHBondContact O-N 3.16Å; V514-S516 VanDerWaalsContact O-N 3.16Å; V514-V517 PolarHBondContact N-O 2.96Å; V514-V517 VanDerWaalsContact O-CB 3.32Å; V514-V517 WeakPolarHBondContact O-CB 3.34Å; V514-V517 PolarHBondContact O-N 3.25Å; V514-L519 HydrophobicContact CB-CD1 4.11Å; V514-L519 HydrophobicContact CG2-CD1 3.59Å; V514-A530 HydrophobicContact CB-CB 4.44Å; V514-L531 HydrophobicContact CB-CD2 4.48Å; V514-L531 HydrophobicContact CG1-CD2 4.01Å; V514-L531 HydrophobicContact CG2-CD2 3.62Å; V514-L531 HydrophobicContact CG2-CG 4.1Å; V514-A534 HydrophobicContact CG1-CB 3.9Å; V514-V538 HydrophobicContact CG1-CG1 3.82Å; V514-T539 CarbonylContact C-O 3.56Å; V514-T539 WeakPolarHBondContact CA-O 3.1Å; V514-I540 HydrophobicContact CG2-CG1 4.45Å; V514-I540 HydrophobicContact CG2-CG2 4.47Å
515	N	89.6	Confident	91.3	Very high	63 Å²	63	56.9 Å²	56.9	34%	0.337	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.7	45.5	-173.9	-77.3	5.9	0	0	0	113.1	V517 A534 A537 T539	N515-V517 PolarHBondContact O-N 2.82Å; N515-A534 HydrophobicContact CB-CB 4.45Å; N515-A534 PolarHBondContact ND2-O 2.85Å; N515-A537 PolarHBondContact ND2-O 2.8Å; N515-T539 PolarHBondContact N-O 2.84Å; N515-T539 WeakPolarHBondContact OD1-CB 3.33Å; N515-T539 PolarHBondContact OD1-N 3.44Å
516	S	83.5	Confident	91.2	Very high	120 Å²	120	62 Å²	62	84%	0.839	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	4.1	-176.8	-49.3	0	0	0	0	116.7	V514	V514-S516 PolarHBondContact O-N 3.16Å; V514-S516 VanDerWaalsContact O-N 3.16Å
517	V	91.5	Very high	91.3	Very high	79 Å²	79	56.1 Å²	56.1	48%	0.479	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.5	165.6	-175.9	0	0	0	0	108.5	S513 V514 N515 L519 A530	S513-V517 CarbonylContact C-O 3.58Å; S513-V517 WeakPolarHBondContact CA-O 3.35Å; S513-V517 WeakPolarHBondContact CB-O 3.17Å; V514-V517 PolarHBondContact N-O 2.96Å; V514-V517 VanDerWaalsContact O-CB 3.32Å; V514-V517 WeakPolarHBondContact O-CB 3.34Å; V514-V517 PolarHBondContact O-N 3.25Å; N515-V517 PolarHBondContact O-N 2.82Å; V517-L519 HydrophobicContact CG1-CD2 4.18Å; V517-A530 HydrophobicContact CB-CB 4.5Å; V517-A530 HydrophobicContact CG1-CB 4.35Å
518	D	91.8	Very high	91.3	Very high	81 Å²	81	52 Å²	52	43%	0.433	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.3	177.4	-161.8	83.8	0	0	0	111	R520	D518-R520 IonicContact OD1-CZ 2.7Å; D518-R520 IonicContact OD1-NE 3.51Å; D518-R520 PolarHBondContact OD1-NE 2.88Å; D518-R520 IonicContact OD1-NH2 2.76Å; D518-R520 PolarHBondContact OD1-NH2 2.86Å; D518-R520 WeakPolarHBondContact OD2-CB 3.15Å; D518-R520 WeakPolarHBondContact OD2-CD 3.32Å; D518-R520 VanDerWaalsContact OD2-CG 3.24Å; D518-R520 WeakPolarHBondContact OD2-CG 3.34Å; D518-R520 PolarHBondContact OD2-N 2.9Å; D518-R520 IonicContact OD2-NE 3.62Å; D518-R520 PolarHBondContact OD2-NE 2.98Å; D518-R520 VanDerWaalsContact OD2-NE 3.16Å
519	L	93.1	Very high	91.5	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	30%	0.299	C	S	.	.			trans	-122.4	7.8	-173	-62.7	-177.4	0	0	0	113.4	I511 I512 V514 V517 A521 A522 A527 A530	I511-L519 HydrophobicContact CG2-CD1 3.93Å; I512-L519 PolarHBondContact O-N 3.27Å; V514-L519 HydrophobicContact CB-CD1 4.11Å; V514-L519 HydrophobicContact CG2-CD1 3.59Å; V517-L519 HydrophobicContact CG1-CD2 4.18Å; L519-A521 PolarHBondContact O-N 2.77Å; L519-A521 VanDerWaalsContact O-N 3.09Å; L519-A522 HydrophobicContact CB-CB 4.12Å; L519-A522 HydrophobicContact CD2-CB 3.59Å; L519-A522 HydrophobicContact CG-CB 4.47Å; L519-A522 PolarHBondContact O-N 2.83Å; L519-A527 HydrophobicContact CD1-CB 4.04Å; L519-A527 HydrophobicContact CD2-CB 4.28Å; L519-A530 HydrophobicContact CD1-CB 4.46Å; L519-A530 HydrophobicContact CD2-CB 4.1Å
520	R	89.8	Confident	91.4	Very high	142 Å²	142	54.5 Å²	54.5	54%	0.536	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.3	-173.9	-66	174.3	-141.5	-137	-4.9	114.2	R510 I512 D518	R510-R520 PolarHBondContact NH2-O 2.99Å; I512-R520 HydrophobicContact CG2-CG 4.07Å; D518-R520 IonicContact OD1-CZ 2.7Å; D518-R520 IonicContact OD1-NE 3.51Å; D518-R520 PolarHBondContact OD1-NE 2.88Å; D518-R520 IonicContact OD1-NH2 2.76Å; D518-R520 PolarHBondContact OD1-NH2 2.86Å; D518-R520 WeakPolarHBondContact OD2-CB 3.15Å; D518-R520 WeakPolarHBondContact OD2-CD 3.32Å; D518-R520 VanDerWaalsContact OD2-CG 3.24Å; D518-R520 WeakPolarHBondContact OD2-CG 3.34Å; D518-R520 PolarHBondContact OD2-N 2.9Å; D518-R520 IonicContact OD2-NE 3.62Å; D518-R520 PolarHBondContact OD2-NE 2.98Å; D518-R520 VanDerWaalsContact OD2-NE 3.16Å
521	A	87	Confident	91.3	Very high	89 Å²	89	52.6 Å²	52.6	74%	0.736	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	26.2	179	0	0	0	0	0	111.6	L519	L519-A521 PolarHBondContact O-N 2.77Å; L519-A521 VanDerWaalsContact O-N 3.09Å
522	A	88.1	Confident	91	Very high	11 Å²	11	59.5 Å²	59.5	9%	0.091	33%	0.329	C	S	.	.			trans	-81.5	148.8	175.4	0	0	0	0	0	110.8	L519 Q526	L519-A522 HydrophobicContact CB-CB 4.12Å; L519-A522 HydrophobicContact CD2-CB 3.59Å; L519-A522 HydrophobicContact CG-CB 4.47Å; L519-A522 PolarHBondContact O-N 2.83Å; A522-Q526 HydrophobicContact CB-CB 4.04Å
523	S	91.8	Very high	90.6	Very high	42 Å²	42	65.4 Å²	65.4	29%	0.294	36%	0.361	S	S	.	.			trans	-69.3	161.7	172.8	77.7	0	0	0	0	111.9	G482 E525 Q526 A527	G482-S523 VanDerWaalsContact O-CA 3.31Å; G482-S523 WeakPolarHBondContact O-CA 3.44Å; S523-E525 PolarHBondContact O-N 2.84Å; S523-Q526 PolarHBondContact O-N 2.92Å; S523-Q526 VanDerWaalsContact O-N 3.09Å; S523-Q526 WeakPolarHBondContact OG-CG 3.25Å; S523-Q526 PolarHBondContact OG-N 3.37Å; S523-A527 PolarHBondContact O-N 2.78Å
524	H	89.4	Confident	90.2	Very high	87 Å²	87	65.2 Å²	65.2	40%	0.403	36%	0.36	S	S	.	.	H	α-helix	trans	-51.2	-44.9	174.8	-172.7	86.3	0	0	0	112.4	I479 G481 G482 A527 A528	I479-H524 PolarHBondContact O-CE1 3.19Å; G481-H524 WeakPolarHBondContact O-CB 3.24Å; G481-H524 PolarHBondContact O-ND1 2.8Å; G481-H524 VanDerWaalsContact O-ND1 3.15Å; G482-H524 PolarHBondContact O-N 2.9Å; G482-H524 VanDerWaalsContact O-N 3.1Å; H524-A527 PolarHBondContact O-N 2.91Å; H524-A528 WeakPolarHBondContact O-CB 3.35Å; H524-A528 PolarHBondContact O-N 3.29Å
525	E	91.4	Very high	89.7	Confident	155 Å²	155	66.9 Å²	66.9	72%	0.724	38%	0.377	S	S	*	.	H	α-helix	trans	-65.6	-42.6	178.7	-175.2	177.1	-155.8	0	0	112	S523 A527 A528 A529	S523-E525 PolarHBondContact O-N 2.84Å; E525-A527 PolarHBondContact O-N 2.93Å; E525-A528 PolarHBondContact O-N 3.34Å; E525-A529 VanDerWaalsContact O-CB 3.24Å; E525-A529 WeakPolarHBondContact O-CB 3.38Å; E525-A529 PolarHBondContact O-N 2.81Å
526	Q	91.2	Very high	89.6	Confident	116 Å²	116	69.7 Å²	69.7	54%	0.542	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-42.2	177.6	-71.8	168.2	-7.8	0	0	111.6	A522 S523 A529 A530	A522-Q526 HydrophobicContact CB-CB 4.04Å; S523-Q526 PolarHBondContact O-N 2.92Å; S523-Q526 VanDerWaalsContact O-N 3.09Å; S523-Q526 WeakPolarHBondContact OG-CG 3.25Å; S523-Q526 PolarHBondContact OG-N 3.37Å; Q526-A529 PolarHBondContact O-N 2.85Å; Q526-A530 WeakPolarHBondContact O-CB 3.49Å; Q526-A530 PolarHBondContact O-N 3.34Å
527	A	92.1	Very high	89.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.8	-44.2	175.4	0	0	0	0	0	112.3	I479 I488 L519 S523 H524 E525 A529 A530 L531	I479-A527 HydrophobicContact CD1-CB 3.94Å; I488-A527 HydrophobicContact CB-CB 4.45Å; I488-A527 HydrophobicContact CD1-CB 3.54Å; I488-A527 HydrophobicContact CG1-CB 3.65Å; I488-A527 HydrophobicContact CG2-CB 4.03Å; L519-A527 HydrophobicContact CD1-CB 4.04Å; L519-A527 HydrophobicContact CD2-CB 4.28Å; S523-A527 PolarHBondContact O-N 2.78Å; H524-A527 PolarHBondContact O-N 2.91Å; E525-A527 PolarHBondContact O-N 2.93Å; A527-A529 VanDerWaalsContact C-N 3.32Å; A527-A529 PolarHBondContact O-N 2.87Å; A527-A530 PolarHBondContact O-N 2.91Å; A527-L531 WeakPolarHBondContact O-CB 3.34Å; A527-L531 WeakPolarHBondContact O-CG 3.42Å; A527-L531 PolarHBondContact O-N 2.98Å
528	A	90.8	Very high	90.1	Very high	17 Å²	17	62.4 Å²	62.4	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-37.1	174.8	0	0	0	0	0	112.1	I479 H524 E525 K532	I479-A528 HydrophobicContact CD1-CB 4.44Å; H524-A528 WeakPolarHBondContact O-CB 3.35Å; H524-A528 PolarHBondContact O-N 3.29Å; E525-A528 PolarHBondContact O-N 3.34Å; A528-K532 WeakPolarHBondContact O-CB 3.46Å; A528-K532 WeakPolarHBondContact O-CD 3.38Å; A528-K532 WeakPolarHBondContact O-CG 3.23Å; A528-K532 PolarHBondContact O-N 3.36Å
529	A	90.8	Very high	90.2	Very high	36 Å²	36	60.3 Å²	60.3	30%	0.298	33%	0.334	S	S	.	.	H	α-helix	trans	-68.5	-44.8	175.3	0	0	0	0	0	111.9	E525 Q526 A527 K532 N533	E525-A529 VanDerWaalsContact O-CB 3.24Å; E525-A529 WeakPolarHBondContact O-CB 3.38Å; E525-A529 PolarHBondContact O-N 2.81Å; Q526-A529 PolarHBondContact O-N 2.85Å; A527-A529 VanDerWaalsContact C-N 3.32Å; A527-A529 PolarHBondContact O-N 2.87Å; A529-K532 PolarHBondContact O-N 2.99Å; A529-N533 VanDerWaalsContact O-CB 3.25Å; A529-N533 WeakPolarHBondContact O-CB 3.37Å; A529-N533 PolarHBondContact O-N 3.33Å; A529-N533 PolarHBondContact O-ND2 2.74Å
530	A	92.4	Very high	90.3	Very high	16 Å²	16	60.2 Å²	60.2	13%	0.132	33%	0.333	C	S	.	.	H	α-helix	trans	-58.5	-48.6	174.8	0	0	0	0	0	111.3	V514 V517 L519 Q526 A527 N533 A534	V514-A530 HydrophobicContact CB-CB 4.44Å; V517-A530 HydrophobicContact CB-CB 4.5Å; V517-A530 HydrophobicContact CG1-CB 4.35Å; L519-A530 HydrophobicContact CD1-CB 4.46Å; L519-A530 HydrophobicContact CD2-CB 4.1Å; Q526-A530 WeakPolarHBondContact O-CB 3.49Å; Q526-A530 PolarHBondContact O-N 3.34Å; A527-A530 PolarHBondContact O-N 2.91Å; A530-N533 PolarHBondContact O-N 3.29Å; A530-A534 WeakPolarHBondContact O-CB 3.43Å; A530-A534 PolarHBondContact O-N 3.5Å
531	L	92.3	Very high	90.6	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-47.1	175.4	-74.8	169	0	0	0	112.2	R470 L475 F477 I479 I511 V514 A527 V538 I540	R470-L531 PolarHBondContact NH2-O 3.38Å; L475-L531 HydrophobicContact CD1-CD2 3.96Å; F477-L531 HydrophobicContact CE2-CD1 4.12Å; F477-L531 HydrophobicContact CZ-CD1 4.2Å; F477-L531 HydrophobicContact CZ-CD2 3.8Å; I479-L531 HydrophobicContact CD1-CD1 4.02Å; I479-L531 HydrophobicContact CG2-CD1 3.99Å; I511-L531 HydrophobicContact CD1-CD1 4.49Å; V514-L531 HydrophobicContact CB-CD2 4.48Å; V514-L531 HydrophobicContact CG1-CD2 4.01Å; V514-L531 HydrophobicContact CG2-CD2 3.62Å; V514-L531 HydrophobicContact CG2-CG 4.1Å; A527-L531 WeakPolarHBondContact O-CB 3.34Å; A527-L531 WeakPolarHBondContact O-CG 3.42Å; A527-L531 PolarHBondContact O-N 2.98Å; L531-V538 HydrophobicContact CD2-CG1 4.44Å; L531-I540 HydrophobicContact CD2-CD1 4.25Å
532	K	89.2	Confident	91	Very high	145 Å²	145	50.7 Å²	50.7	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-61.2	-47	178	-74.7	164.5	-172.3	170.8	0	111.7	R470 A528 A529 A534	R470-K532 PolarHBondContact NH1-O 3.46Å; R470-K532 PolarHBondContact NH2-O 2.98Å; A528-K532 WeakPolarHBondContact O-CB 3.46Å; A528-K532 WeakPolarHBondContact O-CD 3.38Å; A528-K532 WeakPolarHBondContact O-CG 3.23Å; A528-K532 PolarHBondContact O-N 3.36Å; A529-K532 PolarHBondContact O-N 2.99Å; K532-A534 VanDerWaalsContact C-N 3.34Å; K532-A534 PolarHBondContact O-N 2.84Å
533	N	87.3	Confident	91.3	Very high	137 Å²	137	51.6 Å²	51.6	73%	0.733	28%	0.284	S	S	*	.	H	α-helix	trans	-78.9	-11.5	-173.6	-65	-19.9	0	0	0	114.2	A529 A530 G535	A529-N533 VanDerWaalsContact O-CB 3.25Å; A529-N533 WeakPolarHBondContact O-CB 3.37Å; A529-N533 PolarHBondContact O-N 3.33Å; A529-N533 PolarHBondContact O-ND2 2.74Å; A530-N533 PolarHBondContact O-N 3.29Å; N533-G535 PolarHBondContact O-N 2.92Å
534	A	85.2	Confident	91.4	Very high	13 Å²	13	52.5 Å²	52.5	11%	0.107	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-0.3	179.5	0	0	0	0	0	116.1	V514 N515 A530 K532 V538	V514-A534 HydrophobicContact CG1-CB 3.9Å; N515-A534 HydrophobicContact CB-CB 4.45Å; N515-A534 PolarHBondContact ND2-O 2.85Å; A530-A534 WeakPolarHBondContact O-CB 3.43Å; A530-A534 PolarHBondContact O-N 3.5Å; K532-A534 VanDerWaalsContact C-N 3.34Å; K532-A534 PolarHBondContact O-N 2.84Å; A534-V538 HydrophobicContact CB-CB 4.17Å; A534-V538 HydrophobicContact CB-CG1 3.7Å; A534-V538 HydrophobicContact CB-CG2 3.63Å
535	G	85.1	Confident	91.4	Very high	35 Å²	35	52.2 Å²	52.2	36%	0.361	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	-146.9	172.5	0	0	0	0	0	114.6	R470 N533	R470-G535 PolarHBondContact NE-O 3.41Å; R470-G535 PolarHBondContact NH1-O 3.5Å; N533-G535 PolarHBondContact O-N 2.92Å
536	Q	87.9	Confident	91.1	Very high	123 Å²	123	46.3 Å²	46.3	58%	0.575	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-22.2	-171.7	-173.8	55	29.2	0	0	114.1	H469 R470	H469-Q536 WeakPolarHBondContact CA-O 3.34Å; R470-Q536 PolarHBondContact N-O 3.28Å; R470-Q536 PolarHBondContact O-NE2 3.12Å
537	A	90.2	Very high	90.9	Very high	46 Å²	46	44.7 Å²	44.7	38%	0.38	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.9	174.9	0	0	0	0	0	108.3	N515	N515-A537 PolarHBondContact ND2-O 2.8Å
538	V	94.7	Very high	90.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	106.9	-169	-175.6	0	0	0	0	108.7	L468 L475 V514 L531 A534 I540	L468-V538 PolarHBondContact N-O 3Å; L468-V538 PolarHBondContact O-N 2.7Å; L475-V538 HydrophobicContact CD1-CB 4.21Å; L475-V538 HydrophobicContact CD1-CG1 3.99Å; L475-V538 HydrophobicContact CD1-CG2 4.16Å; L475-V538 HydrophobicContact CD2-CB 4.03Å; L475-V538 HydrophobicContact CD2-CG2 3.81Å; V514-V538 HydrophobicContact CG1-CG1 3.82Å; L531-V538 HydrophobicContact CD2-CG1 4.44Å; A534-V538 HydrophobicContact CB-CB 4.17Å; A534-V538 HydrophobicContact CB-CG1 3.7Å; A534-V538 HydrophobicContact CB-CG2 3.63Å; V538-I540 HydrophobicContact CG1-CD1 4.26Å; V538-I540 HydrophobicContact CG1-CG1 3.88Å
539	T	94.4	Very high	90.6	Very high	37 Å²	37	46.3 Å²	46.3	23%	0.227	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.7	171.1	-60	0	0	0	0	108.8	K465 V466 V514 N515	K465-T539 HydrophobicContact CD-CG2 4.18Å; K465-T539 HydrophobicContact CG-CG2 3.75Å; V466-T539 CarbonylContact O-C 3.56Å; V466-T539 WeakPolarHBondContact O-CA 3.32Å; V514-T539 CarbonylContact C-O 3.56Å; V514-T539 WeakPolarHBondContact CA-O 3.1Å; N515-T539 PolarHBondContact N-O 2.84Å; N515-T539 WeakPolarHBondContact OD1-CB 3.33Å; N515-T539 PolarHBondContact OD1-N 3.44Å
540	I	96.1	Very high	90.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.7	-179.9	-53.4	179.5	0	0	0	107.9	K465 V466 L468 F477 L505 I511 S513 V514 L531 V538 A542	K465-I540 CarbonylContact C-O 3.6Å; K465-I540 WeakPolarHBondContact CA-O 3.44Å; V466-I540 PolarHBondContact N-O 3.03Å; V466-I540 PolarHBondContact O-N 3.43Å; L468-I540 HydrophobicContact CD1-CD1 4.02Å; L468-I540 HydrophobicContact CG-CD1 4.47Å; F477-I540 HydrophobicContact CE1-CD1 3.66Å; F477-I540 HydrophobicContact CZ-CD1 3.59Å; L505-I540 HydrophobicContact CD1-CD1 4.19Å; I511-I540 HydrophobicContact CG1-CG2 4.44Å; I511-I540 HydrophobicContact CG2-CG2 3.91Å; S513-I540 WeakPolarHBondContact O-CA 3.36Å; V514-I540 HydrophobicContact CG2-CG1 4.45Å; V514-I540 HydrophobicContact CG2-CG2 4.47Å; L531-I540 HydrophobicContact CD2-CD1 4.25Å; V538-I540 HydrophobicContact CG1-CD1 4.26Å; V538-I540 HydrophobicContact CG1-CG1 3.88Å; I540-A542 HydrophobicContact CG2-CB 4.36Å
541	V	95.3	Very high	89.7	Confident	31 Å²	31	55.1 Å²	55.1	19%	0.188	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.8	164.3	-176.4	0	0	0	0	107.7	P463 R464 K465 I512 S513	P463-V541 HydrophobicContact CB-CG1 3.81Å; R464-V541 WeakPolarHBondContact O-CA 3.43Å; K465-V541 HydrophobicContact CB-CG2 4.41Å; K465-V541 HydrophobicContact CG-CG2 4.29Å; I512-V541 HydrophobicContact CB-CB 4.37Å; I512-V541 HydrophobicContact CB-CG1 4.14Å; I512-V541 HydrophobicContact CG2-CG1 4.33Å; I512-V541 PolarHBondContact N-O 2.92Å; S513-V541 PolarHBondContact N-O 3.31Å; S513-V541 PolarHBondContact O-N 2.99Å; S513-V541 WeakPolarHBondContact OG-CB 3.48Å; S513-V541 VanDerWaalsContact OG-CG2 3.3Å; S513-V541 WeakPolarHBondContact OG-CG2 3.35Å
542	A	94.9	Very high	89.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.7	-176.2	0	0	0	0	0	110.7	P463 R464 L505 D509 R510 I540	P463-A542 CarbonylContact C-O 3.52Å; P463-A542 WeakPolarHBondContact CA-O 3.39Å; R464-A542 PolarHBondContact N-O 2.84Å; R464-A542 PolarHBondContact O-N 3.45Å; L505-A542 HydrophobicContact CD2-CB 3.7Å; D509-A542 HydrophobicContact CB-CB 4.26Å; R510-A542 CarbonylContact O-C 3.55Å; R510-A542 WeakPolarHBondContact O-CA 3.5Å; I540-A542 HydrophobicContact CG2-CB 4.36Å
543	Q	94.3	Very high	88.9	Confident	30 Å²	30	52.1 Å²	52.1	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.8	177.3	-175.5	177.6	25.1	0	0	109.8	R461 P463 R510 I512 R545	R461-Q543 WeakPolarHBondContact O-CG 3.48Å; R461-Q543 PolarHBondContact O-NE2 3.26Å; P463-Q543 HydrophobicContact CG-CB 4.43Å; P463-Q543 HydrophobicContact CG-CG 4.42Å; R510-Q543 PolarHBondContact N-O 3.44Å; R510-Q543 PolarHBondContact O-N 2.94Å; I512-Q543 HydrophobicContact CD1-CB 3.6Å; Q543-R545 HydrophobicContact CG-CG 4.27Å; Q543-R545 PolarHBondContact O-N 2.66Å
544	Y	93.9	Very high	88.3	Confident	62 Å²	62	47.9 Å²	47.9	24%	0.243	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	119.1	179.8	-170.5	-126.4	0	0	0	110.3	I459 K507 D509 P546	I459-Y544 HydrophobicContact CG2-CD1 4.22Å; K507-Y544 WeakPolarHBondContact O-CE2 3.35Å; D509-Y544 VanDerWaalsContact OD1-CA 3.28Å; D509-Y544 WeakPolarHBondContact OD1-CA 2.98Å; D509-Y544 WeakPolarHBondContact OD1-CB 3.43Å; D509-Y544 PolarHBondContact OD1-N 2.64Å; Y544-P546 HydrophobicContact CD1-CG 4.17Å; Y544-P546 HydrophobicContact CE1-CB 4.39Å; Y544-P546 HydrophobicContact CE1-CG 3.66Å; Y544-P546 HydrophobicContact CE2-CB 4.4Å; Y544-P546 HydrophobicContact CE2-CG 4.4Å
545	R	91.2	Very high	88	Confident	80 Å²	80	50.6 Å²	50.6	30%	0.302	26%	0.262	S	S	.	.			trans	-139	59.9	-175.1	-71.1	-62.8	-178.4	127.6	-12.1	111.6	F489 G508 R510 Q543 E547 E548 Y549	F489-R545 HydrophobicContact CE1-CB 4.25Å; G508-R545 CarbonylContact O-C 3.52Å; G508-R545 PolarHBondContact O-N 2.88Å; R510-R545 HydrophobicContact CB-CB 4.34Å; R510-R545 HydrophobicContact CB-CG 4.27Å; Q543-R545 HydrophobicContact CG-CG 4.27Å; Q543-R545 PolarHBondContact O-N 2.66Å; R545-E547 PolarHBondContact O-N 2.91Å; R545-E548 HydrophobicContact CB-CB 4.18Å; R545-E548 HydrophobicContact CB-CG 4.42Å; R545-E548 WeakPolarHBondContact CD-OE1 3.24Å; R545-E548 IonicContact CZ-OE1 3.18Å; R545-E548 IonicContact NE-OE1 2.88Å; R545-E548 IonicContact NH1-OE1 3.41Å; R545-E548 PolarHBondContact NH1-OE1 2.79Å; R545-E548 PolarHBondContact O-N 2.9Å; R545-E548 VanDerWaalsContact O-N 3.16Å; R545-Y549 WeakPolarHBondContact O-CB 3.36Å; R545-Y549 PolarHBondContact O-N 2.73Å
546	P	84.7	Confident	87.3	Confident	31 Å²	31	52.2 Å²	52.2	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-34.7	-177.2	25.8	-34.3	0	0	0	112.5	Y544 E548 Y549 S550	Y544-P546 HydrophobicContact CD1-CG 4.17Å; Y544-P546 HydrophobicContact CE1-CB 4.39Å; Y544-P546 HydrophobicContact CE1-CG 3.66Å; Y544-P546 HydrophobicContact CE2-CB 4.4Å; Y544-P546 HydrophobicContact CE2-CG 4.4Å; P546-E548 PolarHBondContact O-N 3.34Å; P546-Y549 PolarHBondContact O-N 3.33Å; P546-S550 WeakPolarHBondContact O-CB 3.22Å; P546-S550 PolarHBondContact O-N 3.01Å; P546-S550 PolarHBondContact O-OG 3.11Å
547	E	87	Confident	86.2	Confident	82 Å²	82	51.9 Å²	51.9	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-77.2	-19.4	-178.2	-45.7	92.3	149.1	0	0	113.7	R461 R545 R551	R461-E547 IonicContact CZ-OE1 3.12Å; R461-E547 IonicContact NH1-OE1 3.91Å; R461-E547 PolarHBondContact NH1-OE1 2.75Å; R461-E547 IonicContact NH1-OE2 2.82Å; R461-E547 IonicContact NH2-OE1 3.94Å; R461-E547 PolarHBondContact NH2-OE1 3.25Å; R545-E547 PolarHBondContact O-N 2.91Å; E547-R551 PolarHBondContact O-NE 3.42Å; E547-R551 PolarHBondContact O-NH2 3.29Å
548	E	86.6	Confident	85.2	Confident	40 Å²	40	53.8 Å²	53.8	19%	0.187	26%	0.264	C	S	.	.	H	α-helix	trans	-79.7	-44.8	165.5	-70.6	170.7	-138.8	0	0	109.8	F489 R510 R545 P546 S550 R551 F552	F489-E548 HydrophobicContact CE1-CB 3.85Å; F489-E548 HydrophobicContact CZ-CB 3.72Å; R510-E548 IonicContact CZ-OE2 3.93Å; R510-E548 IonicContact NH1-OE2 3.96Å; R510-E548 PolarHBondContact NH1-OE2 3.02Å; R545-E548 HydrophobicContact CB-CB 4.18Å; R545-E548 HydrophobicContact CB-CG 4.42Å; R545-E548 WeakPolarHBondContact CD-OE1 3.24Å; R545-E548 IonicContact CZ-OE1 3.18Å; R545-E548 IonicContact NE-OE1 2.88Å; R545-E548 IonicContact NH1-OE1 3.41Å; R545-E548 PolarHBondContact NH1-OE1 2.79Å; R545-E548 PolarHBondContact O-N 2.9Å; R545-E548 VanDerWaalsContact O-N 3.16Å; P546-E548 PolarHBondContact O-N 3.34Å; E548-S550 PolarHBondContact O-N 3.38Å; E548-R551 PolarHBondContact O-N 3.46Å; E548-F552 PolarHBondContact O-N 2.87Å
549	Y	88.7	Confident	83.8	Confident	11 Å²	11	57.7 Å²	57.7	4%	0.043	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-42.4	-177.6	-178.3	-98	0	0	0	113.5	V480 F489 S491 K507 R545 P546 R551 F552 E553	V480-Y549 HydrophobicContact CG2-CE2 3.84Å; F489-Y549 HydrophobicContact CB-CD2 3.44Å; F489-Y549 VanDerWaalsContact CB-CD2 3.44Å; F489-Y549 HydrophobicContact CB-CE2 3.88Å; F489-Y549 HydrophobicContact CD1-CD2 4.08Å; F489-Y549 HydrophobicContact CD2-CD2 4.35Å; F489-Y549 AromaticContact CG-CD2 3.73Å; F489-Y549 HydrophobicContact CG-CD2 3.73Å; S491-Y549 WeakPolarHBondContact CB-OH 3.16Å; K507-Y549 HydrophobicContact CD-CE1 4.25Å; K507-Y549 WeakPolarHBondContact CE-OH 3.46Å; K507-Y549 HydrophobicContact CG-CE1 4.15Å; R545-Y549 WeakPolarHBondContact O-CB 3.36Å; R545-Y549 PolarHBondContact O-N 2.73Å; P546-Y549 PolarHBondContact O-N 3.33Å; Y549-R551 VanDerWaalsContact C-N 3.33Å; Y549-R551 PolarHBondContact O-N 3.31Å; Y549-F552 WeakPolarHBondContact O-CB 3.31Å; Y549-F552 PolarHBondContact O-N 2.98Å; Y549-E553 HydrophobicContact CD1-CG 4.35Å; Y549-E553 HydrophobicContact CE1-CG 3.67Å; Y549-E553 WeakPolarHBondContact CE1-OE1 3.4Å; Y549-E553 VanDerWaalsContact CE1-OE2 3.26Å; Y549-E553 WeakPolarHBondContact CE1-OE2 3.37Å; Y549-E553 HydrophobicContact CE2-CG 4.47Å; Y549-E553 VanDerWaalsContact CZ-CD 3.49Å; Y549-E553 VanDerWaalsContact CZ-OE1 3.24Å; Y549-E553 PolarHBondContact O-N 3.32Å; Y549-E553 VanDerWaalsContact OH-CD 3.31Å; Y549-E553 PolarHBondContact OH-OE1 2.95Å
550	S	81.9	Confident	81.8	Confident	70 Å²	70	63.3 Å²	63.3	49%	0.49	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-30.4	176.2	-65.6	0	0	0	0	113.1	P546 E548 A554	P546-S550 WeakPolarHBondContact O-CB 3.22Å; P546-S550 PolarHBondContact O-N 3.01Å; P546-S550 PolarHBondContact O-OG 3.11Å; E548-S550 PolarHBondContact O-N 3.38Å; S550-A554 WeakPolarHBondContact O-CB 3.2Å; S550-A554 PolarHBondContact O-N 2.98Å
551	R	82.9	Confident	79.9	Confident	167 Å²	167	68.9 Å²	68.9	63%	0.63	33%	0.327	S	S	*	.	H	α-helix	trans	-70.6	-35.2	171.4	-78.9	-178.4	-70.1	151.2	0.8	111.8	E547 E548 Y549 A554 K555	E547-R551 PolarHBondContact O-NE 3.42Å; E547-R551 PolarHBondContact O-NH2 3.29Å; E548-R551 PolarHBondContact O-N 3.46Å; Y549-R551 VanDerWaalsContact C-N 3.33Å; Y549-R551 PolarHBondContact O-N 3.31Å; R551-A554 PolarHBondContact O-N 3.23Å; R551-K555 WeakPolarHBondContact O-CB 3.4Å; R551-K555 PolarHBondContact O-N 3.18Å
552	F	82.6	Confident	78	Confident	23 Å²	23	73.4 Å²	73.4	10%	0.101	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-48.1	170.8	173.4	-95.2	0	0	0	111.7	V480 E486 E548 Y549 A554 K555 I556	V480-F552 HydrophobicContact CB-CE1 3.82Å; V480-F552 HydrophobicContact CB-CZ 4.16Å; V480-F552 HydrophobicContact CG2-CD1 4.17Å; V480-F552 HydrophobicContact CG2-CE1 3.53Å; V480-F552 HydrophobicContact CG2-CZ 4.28Å; E486-F552 HydrophobicContact CB-CD2 4.45Å; E486-F552 WeakPolarHBondContact OE2-CD2 3.45Å; E548-F552 PolarHBondContact O-N 2.87Å; Y549-F552 WeakPolarHBondContact O-CB 3.31Å; Y549-F552 PolarHBondContact O-N 2.98Å; F552-A554 VanDerWaalsContact C-N 3.28Å; F552-A554 PolarHBondContact O-N 2.83Å; F552-K555 PolarHBondContact O-N 2.87Å; F552-I556 HydrophobicContact CD1-CG1 4.43Å; F552-I556 HydrophobicContact CD2-CG1 4.23Å; F552-I556 HydrophobicContact CE1-CG1 3.99Å; F552-I556 HydrophobicContact CE2-CD1 3.99Å; F552-I556 HydrophobicContact CE2-CG1 3.78Å; F552-I556 HydrophobicContact CZ-CD1 4.02Å; F552-I556 HydrophobicContact CZ-CG1 3.65Å; F552-I556 WeakPolarHBondContact O-CG1 3.02Å; F552-I556 PolarHBondContact O-N 3.09Å
553	E	81.5	Confident	75.9	Confident	77 Å²	77	79 Å²	79	36%	0.36	38%	0.375	S	S	.	.	H	α-helix	trans	-57.9	-39.6	175.1	-75	-170.8	145.2	0	0	111.9	K507 Y549 H557	K507-E553 WeakPolarHBondContact CE-OE1 3.47Å; K507-E553 IonicContact NZ-OE1 2.74Å; K507-E553 PolarHBondContact NZ-OE1 3.42Å; K507-E553 IonicContact NZ-OE2 2.75Å; K507-E553 PolarHBondContact NZ-OE2 2.9Å; Y549-E553 HydrophobicContact CD1-CG 4.35Å; Y549-E553 HydrophobicContact CE1-CG 3.67Å; Y549-E553 WeakPolarHBondContact CE1-OE1 3.4Å; Y549-E553 VanDerWaalsContact CE1-OE2 3.26Å; Y549-E553 WeakPolarHBondContact CE1-OE2 3.37Å; Y549-E553 HydrophobicContact CE2-CG 4.47Å; Y549-E553 VanDerWaalsContact CZ-CD 3.49Å; Y549-E553 VanDerWaalsContact CZ-OE1 3.24Å; Y549-E553 PolarHBondContact O-N 3.32Å; Y549-E553 VanDerWaalsContact OH-CD 3.31Å; Y549-E553 PolarHBondContact OH-OE1 2.95Å; E553-H557 WeakPolarHBondContact O-CB 3.25Å; E553-H557 PolarHBondContact O-N 2.84Å
554	A	76.1	Confident	73.6	Confident	47 Å²	47	82.6 Å²	82.6	39%	0.388	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-48.3	174.9	0	0	0	0	0	113.2	S550 R551 F552 I556 H557 D558	S550-A554 WeakPolarHBondContact O-CB 3.2Å; S550-A554 PolarHBondContact O-N 2.98Å; R551-A554 PolarHBondContact O-N 3.23Å; F552-A554 VanDerWaalsContact C-N 3.28Å; F552-A554 PolarHBondContact O-N 2.83Å; A554-I556 VanDerWaalsContact C-N 3.3Å; A554-I556 PolarHBondContact O-N 2.88Å; A554-H557 WeakPolarHBondContact O-CA 3.2Å; A554-H557 WeakPolarHBondContact O-CB 3.21Å; A554-H557 PolarHBondContact O-N 3.03Å; A554-H557 VanDerWaalsContact O-N 3.08Å; A554-D558 PolarHBondContact O-N 3.25Å
555	K	78	Confident	71.3	Confident	71 Å²	71	83.7 Å²	83.7	31%	0.309	41%	0.41	S	S	.	.	H	α-helix	trans	-57.8	-42.4	177.8	-177	-162.5	169.8	-160.9	0	111.7	D484 E486 R551 F552 H557 D558 L559	D484-K555 IonicContact OD2-NZ 3.55Å; D484-K555 PolarHBondContact OD2-NZ 3.12Å; E486-K555 WeakPolarHBondContact OE1-CD 3.39Å; E486-K555 WeakPolarHBondContact OE1-CE 3.22Å; E486-K555 IonicContact OE1-NZ 3.17Å; E486-K555 PolarHBondContact OE1-NZ 2.82Å; E486-K555 IonicContact OE2-NZ 2.72Å; E486-K555 PolarHBondContact OE2-NZ 3Å; R551-K555 WeakPolarHBondContact O-CB 3.4Å; R551-K555 PolarHBondContact O-N 3.18Å; F552-K555 PolarHBondContact O-N 2.87Å; K555-H557 VanDerWaalsContact C-N 3.35Å; K555-D558 PolarHBondContact O-N 2.88Å; K555-L559 WeakPolarHBondContact O-CB 3.22Å; K555-L559 PolarHBondContact O-N 3.07Å
556	I	70.6	Confident	68.7	Low	69 Å²	69	84.2 Å²	84.2	35%	0.354	43%	0.426	S	S	.	.	H	α-helix	trans	-67.6	-35.5	177.4	-65.9	-65.2	0	0	0	111.4	F552 A554 R560	F552-I556 HydrophobicContact CD1-CG1 4.43Å; F552-I556 HydrophobicContact CD2-CG1 4.23Å; F552-I556 HydrophobicContact CE1-CG1 3.99Å; F552-I556 HydrophobicContact CE2-CD1 3.99Å; F552-I556 HydrophobicContact CE2-CG1 3.78Å; F552-I556 HydrophobicContact CZ-CD1 4.02Å; F552-I556 HydrophobicContact CZ-CG1 3.65Å; F552-I556 WeakPolarHBondContact O-CG1 3.02Å; F552-I556 PolarHBondContact O-N 3.09Å; A554-I556 VanDerWaalsContact C-N 3.3Å; A554-I556 PolarHBondContact O-N 2.88Å; I556-R560 VanDerWaalsContact O-CB 3.24Å; I556-R560 WeakPolarHBondContact O-CB 3.26Å; I556-R560 PolarHBondContact O-N 3.12Å; I556-R560 VanDerWaalsContact O-N 3.13Å
557	H	65.7	Low	66.2	Low	115 Å²	115	87.4 Å²	87.4	53%	0.532	45%	0.45	S	S	.	.	H	α-helix	trans	-62.6	-52	172.2	-176.2	-77.8	0	0	0	111.3	E553 A554 K555 L559 R560 E561	E553-H557 WeakPolarHBondContact O-CB 3.25Å; E553-H557 PolarHBondContact O-N 2.84Å; A554-H557 WeakPolarHBondContact O-CA 3.2Å; A554-H557 WeakPolarHBondContact O-CB 3.21Å; A554-H557 PolarHBondContact O-N 3.03Å; A554-H557 VanDerWaalsContact O-N 3.08Å; K555-H557 VanDerWaalsContact C-N 3.35Å; H557-L559 PolarHBondContact O-N 2.95Å; H557-R560 WeakPolarHBondContact O-CB 3.45Å; H557-R560 PolarHBondContact O-N 2.71Å; H557-E561 IonicContact CE1-OE2 3.18Å; H557-E561 PolarHBondContact CE1-OE2 3.14Å; H557-E561 IonicContact ND1-OE2 2.71Å; H557-E561 PolarHBondContact O-N 2.89Å
558	D	67.9	Low	63.8	Low	87 Å²	87	90.2 Å²	90.2	47%	0.465	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-41	-177.4	-67.3	-6.1	0	0	0	112.4	A554 K555 R560 E561 Q562	A554-D558 PolarHBondContact O-N 3.25Å; K555-D558 PolarHBondContact O-N 2.88Å; D558-R560 VanDerWaalsContact C-N 3.34Å; D558-R560 PolarHBondContact O-N 3.17Å; D558-E561 PolarHBondContact O-N 3.36Å; D558-Q562 WeakPolarHBondContact O-CG 3.46Å; D558-Q562 PolarHBondContact O-N 3.41Å
559	L	65.8	Low	61	Low	81 Å²	81	93.7 Å²	93.7	42%	0.424	49%	0.494	S	S	.	.	H	α-helix	trans	-64.8	-38.7	175.8	-178.1	61.3	0	0	0	111.7	K555 H557 Q562 L563	K555-L559 WeakPolarHBondContact O-CB 3.22Å; K555-L559 PolarHBondContact O-N 3.07Å; H557-L559 PolarHBondContact O-N 2.95Å; L559-Q562 PolarHBondContact O-N 2.86Å; L559-L563 HydrophobicContact CG-CD1 4.4Å; L559-L563 WeakPolarHBondContact O-CG 3.41Å; L559-L563 PolarHBondContact O-N 3.14Å
560	R	53.1	Low	58.3	Low	156 Å²	156	98.7 Å²	98.7	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-66.5	-39.1	174.6	-173.2	177.5	-174.5	177.7	0.2	111.5	I556 H557 D558 M564	I556-R560 VanDerWaalsContact O-CB 3.24Å; I556-R560 WeakPolarHBondContact O-CB 3.26Å; I556-R560 PolarHBondContact O-N 3.12Å; I556-R560 VanDerWaalsContact O-N 3.13Å; H557-R560 WeakPolarHBondContact O-CB 3.45Å; H557-R560 PolarHBondContact O-N 2.71Å; D558-R560 VanDerWaalsContact C-N 3.34Å; D558-R560 PolarHBondContact O-N 3.17Å; R560-M564 HydrophobicContact CG-CE 3.95Å; R560-M564 HydrophobicContact CG-SD 4.31Å; R560-M564 WeakPolarHBondContact O-CB 3.23Å; R560-M564 VanDerWaalsContact O-CG 3.26Å; R560-M564 WeakPolarHBondContact O-CG 3.46Å; R560-M564 PolarHBondContact O-N 3.26Å
561	E	56.3	Low	55.8	Low	117 Å²	117	99.1 Å²	99.1	55%	0.547	55%	0.546	S	S	.	.	H	α-helix	trans	-66.4	-40.8	175.2	-170.3	168.8	171.2	0	0	111.6	H557 D558 M564 S565	H557-E561 IonicContact CE1-OE2 3.18Å; H557-E561 PolarHBondContact CE1-OE2 3.14Å; H557-E561 IonicContact ND1-OE2 2.71Å; H557-E561 PolarHBondContact O-N 2.89Å; D558-E561 PolarHBondContact O-N 3.36Å; E561-M564 PolarHBondContact O-N 3.37Å; E561-S565 WeakPolarHBondContact O-CB 3.49Å; E561-S565 PolarHBondContact O-N 3.1Å
562	Q	55.5	Low	53.3	Low	126 Å²	126	97.5 Å²	97.5	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-60.8	-48	173.9	-73.5	176.2	24.7	0	0	111.9	D558 L559 M564 S565 S566	D558-Q562 WeakPolarHBondContact O-CG 3.46Å; D558-Q562 PolarHBondContact O-N 3.41Å; L559-Q562 PolarHBondContact O-N 2.86Å; Q562-M564 VanDerWaalsContact C-N 3.3Å; Q562-M564 PolarHBondContact O-N 2.71Å; Q562-S565 PolarHBondContact O-N 3.33Å; Q562-S565 VanDerWaalsContact O-N 3.12Å; Q562-S565 PolarHBondContact O-OG 2.71Å; Q562-S566 PolarHBondContact O-N 3.14Å; Q562-S566 PolarHBondContact O-OG 3.28Å
563	L	50.3	Low	51.2	Low	116 Å²	116	100.1 Å²	100.1	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-62.2	-34.6	176.2	-72.3	167.9	0	0	0	112.8	L559 S566	L559-L563 HydrophobicContact CG-CD1 4.4Å; L559-L563 WeakPolarHBondContact O-CG 3.41Å; L559-L563 PolarHBondContact O-N 3.14Å; L563-S566 PolarHBondContact O-OG 2.95Å
564	M	46.2	Very low	48.6	Very low	107 Å²	107	102 Å²	102	53%	0.527	62%	0.616	S	S	.	*	H	α-helix	trans	-71.7	-34.3	173.2	-73.5	175.6	174.1	0	0	112.8	R560 E561 Q562 S566	R560-M564 HydrophobicContact CG-CE 3.95Å; R560-M564 HydrophobicContact CG-SD 4.31Å; R560-M564 WeakPolarHBondContact O-CB 3.23Å; R560-M564 VanDerWaalsContact O-CG 3.26Å; R560-M564 WeakPolarHBondContact O-CG 3.46Å; R560-M564 PolarHBondContact O-N 3.26Å; E561-M564 PolarHBondContact O-N 3.37Å; Q562-M564 VanDerWaalsContact C-N 3.3Å; Q562-M564 PolarHBondContact O-N 2.71Å; M564-S566 VanDerWaalsContact C-N 3.33Å; M564-S566 PolarHBondContact O-N 2.77Å
565	S	44.9	Very low	46.5	Very low	84 Å²	84	106.4 Å²	106.4	59%	0.587	63%	0.632	S	S	*	*	H	α-helix	trans	-68	-30.9	-179	77.4	0	0	0	0	113.4	E561 Q562 S567	E561-S565 WeakPolarHBondContact O-CB 3.49Å; E561-S565 PolarHBondContact O-N 3.1Å; Q562-S565 PolarHBondContact O-N 3.33Å; Q562-S565 VanDerWaalsContact O-N 3.12Å; Q562-S565 PolarHBondContact O-OG 2.71Å; S565-S567 VanDerWaalsContact C-N 3.3Å; S565-S567 PolarHBondContact O-N 3.03Å
566	S	37.1	Very low	44.4	Very low	91 Å²	91	114.1 Å²	114.1	64%	0.636	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-3.4	-174	41.1	0	0	0	0	115.8	Q562 L563 M564	Q562-S566 PolarHBondContact O-N 3.14Å; Q562-S566 PolarHBondContact O-OG 3.28Å; L563-S566 PolarHBondContact O-OG 2.95Å; M564-S566 VanDerWaalsContact C-N 3.33Å; M564-S566 PolarHBondContact O-N 2.77Å
567	S	30.9	Very low	42.6	Very low	99 Å²	99	117.3 Å²	117.3	69%	0.692	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-4.4	-174.7	-54.7	0	0	0	0	115.2	S565 S569	S565-S567 VanDerWaalsContact C-N 3.3Å; S565-S567 PolarHBondContact O-N 3.03Å; S567-S569 PolarHBondContact O-N 2.66Å
568	I	38.3	Very low	41.2	Very low	141 Å²	141	115.2 Å²	115.2	72%	0.723	68%	0.68	S	S	*	*			trans	-102.3	81.7	-163.8	-49	-179.7	0	0	0	111.9
569	S	27.7	Very low	39.6	Very low	112 Å²	112	119.3 Å²	119.3	78%	0.783	70%	0.697	S	S	*	*	S	Bend	trans	-136.8	37.4	166.4	-170.9	0	0	0	0	113.4	S567	S567-S569 PolarHBondContact O-N 2.66Å
570	S	31.1	Very low	38.7	Very low	116 Å²	116	125.2 Å²	125.2	81%	0.811	72%	0.719	S	S	*	*	S	Bend	trans	-169.6	153.4	159.6	-85.9	0	0	0	0	111.7
571	G	28.8	Very low	38.8	Very low	79 Å²	79	125.3 Å²	125.3	81%	0.814	72%	0.719	S	S	*	*			trans	63.3	92.2	148.2	0	0	0	0	0	119
572	S	32.1	Very low	39.8	Very low	134 Å²	134	122.3 Å²	122.3	94%	0.937	71%	0.711	S	S	*	*			trans	-21.1	138.7	160.2	-171	0	0	0	0	118.3
573	G	36.7	Very low	41.5	Very low	78 Å²	78	118.7 Å²	118.7	80%	0.804	70%	0.695	S	S	*	*			trans	118.1	62.6	148.5	0	0	0	0	0	118.3
574	S	27.1	Very low	43.6	Very low	116 Å²	116	116.2 Å²	116.2	81%	0.811	68%	0.679	S	S	*	*			trans	-137.5	142.8	160.2	-169.2	0	0	0	0	110.5	R576	S574-R576 PolarHBondContact O-N 2.82Å
575	L	31.6	Very low	46	Very low	139 Å²	139	111.1 Å²	111.1	73%	0.728	65%	0.653	S	S	*	*			trans	-71.1	128.3	-166.7	-70.2	87.3	0	0	0	111.8	T577	L575-T577 PolarHBondContact O-N 3.12Å
576	R	33.9	Very low	48.4	Very low	233 Å²	233	108.1 Å²	108.1	88%	0.879	63%	0.629	S	S	*	*			trans	-71	121.3	165.5	-69.2	178.6	173.7	175.5	-3	108.7	S574 S578	S574-R576 PolarHBondContact O-N 2.82Å; R576-S578 VanDerWaalsContact C-N 3.25Å; R576-S578 PolarHBondContact O-N 2.85Å
577	T	34.7	Very low	51.2	Low	136 Å²	136	103.8 Å²	103.8	83%	0.834	60%	0.599	S	S	*	*			trans	-69.7	81.6	171.6	51.1	0	0	0	0	110	L575	L575-T577 PolarHBondContact O-N 3.12Å
578	S	35.8	Very low	54.3	Low	71 Å²	71	99.2 Å²	99.2	50%	0.497	57%	0.567	S	S	.	*			trans	-111.4	115.1	-168.8	-165.6	0	0	0	0	111.8	R576	R576-S578 VanDerWaalsContact C-N 3.25Å; R576-S578 PolarHBondContact O-N 2.85Å
579	Q	34.5	Very low	56.9	Low	174 Å²	174	94.5 Å²	94.5	81%	0.813	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	24	101.6	158.6	-64.8	178.2	-28.6	0	0	117.7	R581	Q579-R581 VanDerWaalsContact C-N 3.28Å; Q579-R581 PolarHBondContact O-N 3.1Å
580	K	46.5	Very low	60.1	Low	204 Å²	204	93.5 Å²	93.5	89%	0.887	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	29	52.3	158	-79.5	-168.9	169.3	-172.6	0	116.2	S582	K580-S582 PolarHBondContact O-N 3.05Å; K580-S582 VanDerWaalsContact O-N 3.14Å
581	R	55.1	Low	63.1	Low	159 Å²	159	88.8 Å²	88.8	60%	0.6	49%	0.492	S	S	*	.			trans	-79.7	93.5	166.9	-77.8	-170.3	169.7	-146.7	-4.9	109	Q579 E924	Q579-R581 VanDerWaalsContact C-N 3.28Å; Q579-R581 PolarHBondContact O-N 3.1Å; R581-E924 IonicContact NH1-OE1 2.66Å; R581-E924 PolarHBondContact NH1-OE1 3.01Å; R581-E924 IonicContact NH1-OE2 3.74Å; R581-E924 PolarHBondContact NH1-OE2 3.24Å
582	S	77.9	Confident	66	Low	53 Å²	53	87.3 Å²	87.3	37%	0.371	47%	0.465	S	S	.	.			trans	-71.5	139.2	160.9	63.6	0	0	0	0	109.2	K580 H613 V614	K580-S582 PolarHBondContact O-N 3.05Å; K580-S582 VanDerWaalsContact O-N 3.14Å; S582-H613 WeakPolarHBondContact CB-NE2 3.37Å; S582-H613 PolarHBondContact OG-NE2 2.64Å; S582-V614 CarbonylContact C-O 3.49Å; S582-V614 WeakPolarHBondContact CA-O 3.05Å; S582-V614 WeakPolarHBondContact CB-O 3.21Å
583	L	91.3	Very high	68.7	Low	50 Å²	50	84 Å²	84	26%	0.262	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.9	-172.8	61.1	86.8	0	0	0	110.9	V585 V614 L926	L583-V585 HydrophobicContact CD1-CG1 3.41Å; L583-V585 VanDerWaalsContact CD1-CG1 3.41Å; L583-V614 HydrophobicContact CD1-CB 4.13Å; L583-V614 HydrophobicContact CD1-CG2 4.27Å; L583-V614 HydrophobicContact CG-CB 4.32Å; L583-V614 PolarHBondContact N-O 2.63Å; L583-V614 PolarHBondContact O-N 2.65Å; L583-L926 HydrophobicContact CD1-CD2 3.6Å; L583-L926 HydrophobicContact CD2-CD2 4.01Å; L583-L926 HydrophobicContact CG-CD2 4.5Å
584	Y	94.4	Very high	71.1	Confident	64 Å²	64	85.8 Å²	85.8	25%	0.251	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.3	177.3	-60.8	-88.6	0	0	0	110.6	L612 H613 V628 V728 W919	Y584-L612 WeakPolarHBondContact CA-O 3.26Å; Y584-H613 HydrophobicContact CD1-CB 3.81Å; Y584-H613 AromaticContact CD1-CD2 3.73Å; Y584-H613 HydrophobicContact CE1-CB 3.61Å; Y584-H613 AromaticContact CE1-CD2 3.35Å; Y584-H613 WeakPolarHBondContact CE1-CD2 3.31Å; Y584-H613 AromaticContact CE1-CG 3.7Å; Y584-H613 AromaticContact CE2-CD2 3.82Å; Y584-H613 AromaticContact CE2-NE2 3.99Å; Y584-H613 AromaticContact CZ-CD2 3.4Å; Y584-H613 VanDerWaalsContact CZ-CD2 3.4Å; Y584-H613 AromaticContact CZ-NE2 3.95Å; Y584-V628 HydrophobicContact CD1-CG2 4.03Å; Y584-V628 HydrophobicContact CE1-CG2 3.95Å; Y584-V728 PolarHBondContact O-N 3.16Å; Y584-W919 AromaticContact CD1-CH2 3.52Å; Y584-W919 HydrophobicContact CD1-CH2 3.52Å; Y584-W919 HydrophobicContact CD1-CZ2 4.46Å; Y584-W919 AromaticContact CD1-CZ3 3.83Å; Y584-W919 HydrophobicContact CD1-CZ3 3.83Å; Y584-W919 HydrophobicContact CD2-CH2 4.09Å; Y584-W919 AromaticContact CD2-CZ3 3.91Å; Y584-W919 HydrophobicContact CD2-CZ3 3.91Å; Y584-W919 AromaticContact CE1-CH2 3.79Å; Y584-W919 HydrophobicContact CE1-CH2 3.79Å; Y584-W919 HydrophobicContact CE1-CZ3 4.47Å; Y584-W919 HydrophobicContact CE2-CH2 4.33Å; Y584-W919 AromaticContact CG-CH2 3.68Å; Y584-W919 HydrophobicContact CG-CH2 3.68Å; Y584-W919 AromaticContact CG-CZ3 3.5Å; Y584-W919 HydrophobicContact CG-CZ3 3.5Å
585	V	95.4	Very high	73.9	Confident	0 Å²	0	88 Å²	88	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.5	172.7	-56.4	0	0	0	0	111.6	L583 I611 L612 V614 Y725 E726 L926	L583-V585 HydrophobicContact CD1-CG1 3.41Å; L583-V585 VanDerWaalsContact CD1-CG1 3.41Å; V585-I611 WeakPolarHBondContact O-CA 3.4Å; V585-L612 HydrophobicContact CG2-CB 3.92Å; V585-L612 HydrophobicContact CG2-CD1 4.42Å; V585-L612 PolarHBondContact N-O 2.93Å; V585-L612 PolarHBondContact O-N 2.83Å; V585-V614 HydrophobicContact CG1-CG2 4.17Å; V585-V614 HydrophobicContact CG2-CG2 3.89Å; V585-Y725 HydrophobicContact CB-CD1 4.4Å; V585-Y725 HydrophobicContact CG2-CD1 3.7Å; V585-Y725 HydrophobicContact CG2-CE1 4.39Å; V585-Y725 HydrophobicContact CG2-CG 4.2Å; V585-E726 CarbonylContact C-O 3.59Å; V585-E726 WeakPolarHBondContact CA-O 3.45Å; V585-E726 WeakPolarHBondContact CB-O 2.79Å; V585-L926 HydrophobicContact CG1-CD1 3.78Å; V585-L926 HydrophobicContact CG1-CD2 4.03Å; V585-L926 HydrophobicContact CG1-CG 4.5Å
586	R	95.7	Very high	76.3	Confident	21 Å²	21	82.1 Å²	82.1	8%	0.079	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128	164.1	-174.7	160.7	67.7	117.6	4.9	109	D610 I611 E726 V728 E888 F890	R586-D610 WeakPolarHBondContact CA-O 3.3Å; R586-I611 HydrophobicContact CB-CD1 3.92Å; R586-I611 HydrophobicContact CG-CD1 3.97Å; R586-E726 HydrophobicContact CB-CB 4.49Å; R586-E726 IonicContact CZ-OE2 2.76Å; R586-E726 PolarHBondContact N-O 3.42Å; R586-E726 IonicContact NE-OE2 2.79Å; R586-E726 PolarHBondContact NE-OE2 2.9Å; R586-E726 VanDerWaalsContact NH2-CD 3.34Å; R586-E726 IonicContact NH2-OE1 3.86Å; R586-E726 PolarHBondContact NH2-OE1 3.04Å; R586-E726 IonicContact NH2-OE2 3.52Å; R586-E726 PolarHBondContact NH2-OE2 3.18Å; R586-E726 PolarHBondContact O-N 3.44Å; R586-V728 HydrophobicContact CB-CG1 3.76Å; R586-E888 PolarHBondContact NH2-O 2.98Å; R586-E888 VanDerWaalsContact NH2-O 3.14Å; R586-F890 PolarHBondContact NH1-O 3.45Å
587	A	96.3	Very high	77.8	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.7	177.9	0	0	0	0	0	110.9	F606 K607 G609 D610 L612	A587-F606 HydrophobicContact CB-CD2 3.45Å; A587-F606 VanDerWaalsContact CB-CD2 3.45Å; A587-F606 HydrophobicContact CB-CE2 3.64Å; A587-F606 HydrophobicContact CB-CG 4.45Å; A587-K607 WeakPolarHBondContact CB-O 3.45Å; A587-G609 PolarHBondContact O-N 2.83Å; A587-D610 HydrophobicContact CB-CB 4.49Å; A587-D610 PolarHBondContact N-O 3.15Å; A587-L612 HydrophobicContact CB-CD1 4.43Å
588	L	95.2	Very high	79.4	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.016	38%	0.381	C	S	.	.	S	Bend	trans	-100.4	17.6	177.4	-59.1	-177.1	0	0	0	112.8	F608 L723 S724 E726 E888	L588-F608 VanDerWaalsContact C-CD2 3.41Å; L588-F608 HydrophobicContact CB-CE2 4.26Å; L588-F608 HydrophobicContact CD2-CE2 4.14Å; L588-F608 HydrophobicContact CD2-CZ 4.23Å; L588-F608 WeakPolarHBondContact O-CD2 3.42Å; L588-L723 HydrophobicContact CB-CB 4.13Å; L588-L723 HydrophobicContact CB-CD2 4.28Å; L588-L723 HydrophobicContact CD1-CD2 4.22Å; L588-S724 PolarHBondContact N-O 3.25Å; L588-E726 HydrophobicContact CD1-CB 4.22Å; L588-E726 HydrophobicContact CG-CB 4.42Å; L588-E888 HydrophobicContact CD1-CB 4.28Å
589	F	94.2	Very high	81.2	Confident	42 Å²	42	72 Å²	72	18%	0.184	37%	0.368	C	S	.	.	S	Bend	trans	-157.3	159.8	177.6	68.6	-75.1	0	0	0	111.4	Y591 F606 V646 S724 Y725	F589-Y591 HydrophobicContact CE2-CD2 4.38Å; F589-F606 HydrophobicContact CD1-CE2 4.48Å; F589-F606 HydrophobicContact CD2-CE2 4.42Å; F589-F606 HydrophobicContact CE1-CE2 4.01Å; F589-F606 HydrophobicContact CE1-CZ 4.16Å; F589-F606 AromaticContact CE2-CE2 3.97Å; F589-F606 HydrophobicContact CE2-CE2 3.97Å; F589-F606 AromaticContact CE2-CZ 3.91Å; F589-F606 HydrophobicContact CE2-CZ 3.91Å; F589-F606 AromaticContact CZ-CE2 3.74Å; F589-F606 HydrophobicContact CZ-CE2 3.74Å; F589-F606 AromaticContact CZ-CZ 3.54Å; F589-F606 HydrophobicContact CZ-CZ 3.54Å; F589-V646 HydrophobicContact CD1-CG1 4.28Å; F589-V646 HydrophobicContact CE1-CG1 3.93Å; F589-V646 HydrophobicContact CE1-CG2 3.93Å; F589-V646 HydrophobicContact CE2-CG1 4.38Å; F589-V646 HydrophobicContact CE2-CG2 4.14Å; F589-V646 HydrophobicContact CZ-CB 4.38Å; F589-V646 HydrophobicContact CZ-CG1 3.98Å; F589-V646 HydrophobicContact CZ-CG2 3.43Å; F589-V646 VanDerWaalsContact CZ-CG2 3.43Å; F589-S724 WeakPolarHBondContact CD1-O 3.09Å; F589-S724 VanDerWaalsContact CE1-O 3.3Å; F589-S724 WeakPolarHBondContact CE1-O 3.17Å; F589-Y725 HydrophobicContact CE1-CD1 4.3Å; F589-Y725 AromaticContact CE1-CE1 3.84Å; F589-Y725 HydrophobicContact CE1-CE1 3.84Å; F589-Y725 HydrophobicContact CE1-CE2 4.18Å; F589-Y725 AromaticContact CE1-CZ 3.8Å; F589-Y725 HydrophobicContact CZ-CE1 4.19Å; F589-Y725 HydrophobicContact CZ-CE2 4.38Å; F589-Y725 AromaticContact CZ-CZ 3.84Å
590	D	93.6	Very high	82.7	Confident	91 Å²	91	66.3 Å²	66.3	49%	0.487	35%	0.346	S	S	.	.			trans	-79.1	130.2	172.1	-100.5	35.7	0	0	0	111.6	K607 F608	D590-K607 VanDerWaalsContact CG-CD 3.47Å; D590-K607 WeakPolarHBondContact OD1-CA 3.41Å; D590-K607 VanDerWaalsContact OD1-CD 3.28Å; D590-K607 WeakPolarHBondContact OD1-CD 3.24Å; D590-K607 VanDerWaalsContact OD2-CD 3.24Å; D590-K607 WeakPolarHBondContact OD2-CD 3.23Å; D590-K607 IonicContact OD2-NZ 2.78Å; D590-K607 PolarHBondContact OD2-NZ 3.43Å; D590-F608 PolarHBondContact OD1-N 2.94Å
591	Y	93.6	Very high	83.7	Confident	18 Å²	18	62.7 Å²	62.7	7%	0.071	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-121	121.6	172	-173.8	-113	0	0	0	112.9	F589 K593 D596 L604 F606 P641	F589-Y591 HydrophobicContact CE2-CD2 4.38Å; Y591-K593 HydrophobicContact CE1-CB 4.22Å; Y591-D596 HydrophobicContact CE2-CB 4.31Å; Y591-L604 VanDerWaalsContact CD1-O 3.24Å; Y591-L604 WeakPolarHBondContact CD1-O 3.27Å; Y591-L604 WeakPolarHBondContact CE1-O 3.36Å; Y591-F606 VanDerWaalsContact CB-CE1 3.42Å; Y591-F606 HydrophobicContact CD1-CD1 4.1Å; Y591-F606 AromaticContact CD1-CE1 3.64Å; Y591-F606 HydrophobicContact CD1-CE1 3.64Å; Y591-F606 HydrophobicContact CD1-CZ 4.25Å; Y591-F606 HydrophobicContact CG-CD1 4.41Å; Y591-F606 AromaticContact CG-CE1 3.79Å; Y591-F606 HydrophobicContact CG-CE1 3.79Å; Y591-F606 AromaticContact CG-CZ 3.92Å; Y591-F606 HydrophobicContact CG-CZ 3.92Å; Y591-F606 PolarHBondContact N-O 2.91Å; Y591-F606 PolarHBondContact O-N 3.41Å; Y591-F606 VanDerWaalsContact O-O 3.11Å; Y591-P641 HydrophobicContact CD1-CG 4.35Å; Y591-P641 HydrophobicContact CD2-CG 3.72Å; Y591-P641 HydrophobicContact CE1-CG 4.06Å; Y591-P641 HydrophobicContact CE2-CG 3.4Å; Y591-P641 HydrophobicContact CG-CG 4.2Å
592	D	90.9	Very high	84.9	Confident	47 Å²	47	61.6 Å²	61.6	25%	0.251	35%	0.348	S	S	.	.			trans	-116.2	111.3	176.1	178	-12.3	0	0	0	109.5	T594 K595	D592-T594 VanDerWaalsContact CG-OG1 3.29Å; D592-T594 PolarHBondContact O-N 2.75Å; D592-T594 WeakPolarHBondContact OD1-CB 3.29Å; D592-T594 PolarHBondContact OD1-N 2.72Å; D592-T594 PolarHBondContact OD1-OG1 3.45Å; D592-T594 PolarHBondContact OD2-OG1 3.07Å; D592-K595 HydrophobicContact CB-CD 4.14Å; D592-K595 HydrophobicContact CB-CG 4.14Å; D592-K595 PolarHBondContact O-N 2.98Å; D592-K595 WeakPolarHBondContact OD2-CE 3.16Å; D592-K595 IonicContact OD2-NZ 3.1Å; D592-K595 PolarHBondContact OD2-NZ 3.23Å
593	K	88	Confident	85.3	Confident	65 Å²	65	59.3 Å²	59.3	28%	0.283	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.2	-23.8	-177.3	78.1	-170.9	175.9	-173.5	0	113.5	Y591 K595 L599 G603 N605 E636	Y591-K593 HydrophobicContact CE1-CB 4.22Å; K593-K595 PolarHBondContact O-N 2.73Å; K593-L599 HydrophobicContact CB-CD2 3.61Å; K593-L599 VanDerWaalsContact O-CD2 3.22Å; K593-L599 WeakPolarHBondContact O-CD2 3.43Å; K593-G603 WeakPolarHBondContact CD-O 3.11Å; K593-G603 WeakPolarHBondContact CE-O 3.45Å; K593-G603 PolarHBondContact NZ-O 2.82Å; K593-N605 VanDerWaalsContact CB-OD1 3.29Å; K593-N605 WeakPolarHBondContact CB-OD1 3.26Å; K593-N605 WeakPolarHBondContact CG-OD1 3.41Å; K593-N605 PolarHBondContact N-OD1 2.97Å; K593-E636 IonicContact NZ-OE1 2.81Å
594	T	87.4	Confident	85.3	Confident	116 Å²	116	57.3 Å²	57.3	71%	0.712	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-73	-15.8	176.6	72.5	0	0	0	0	113.4	D592	D592-T594 VanDerWaalsContact CG-OG1 3.29Å; D592-T594 PolarHBondContact O-N 2.75Å; D592-T594 WeakPolarHBondContact OD1-CB 3.29Å; D592-T594 PolarHBondContact OD1-N 2.72Å; D592-T594 PolarHBondContact OD1-OG1 3.45Å; D592-T594 PolarHBondContact OD2-OG1 3.07Å
595	K	86.1	Confident	85.2	Confident	162 Å²	162	57.6 Å²	57.6	70%	0.704	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-98	-4.9	-176.2	-61.1	-172.9	177.5	99.9	0	114.7	D592 K593	D592-K595 HydrophobicContact CB-CD 4.14Å; D592-K595 HydrophobicContact CB-CG 4.14Å; D592-K595 PolarHBondContact O-N 2.98Å; D592-K595 WeakPolarHBondContact OD2-CE 3.16Å; D592-K595 IonicContact OD2-NZ 3.1Å; D592-K595 PolarHBondContact OD2-NZ 3.23Å; K593-K595 PolarHBondContact O-N 2.73Å
596	D	81.2	Confident	85.2	Confident	16 Å²	16	57.8 Å²	57.8	9%	0.086	33%	0.329	C	S	.	.			trans	-112	104	177	-157.8	-51.2	0	0	0	111.5	Y591 G598 L599 R645 K649	Y591-D596 HydrophobicContact CE2-CB 4.31Å; D596-G598 PolarHBondContact O-N 2.94Å; D596-G598 PolarHBondContact OD1-N 3.09Å; D596-G598 VanDerWaalsContact OD1-N 3.1Å; D596-L599 HydrophobicContact CB-CB 4.47Å; D596-L599 WeakPolarHBondContact O-CB 3.36Å; D596-L599 PolarHBondContact O-N 3.37Å; D596-R645 VanDerWaalsContact CG-NH2 3.34Å; D596-R645 IonicContact OD1-NH2 2.84Å; D596-R645 PolarHBondContact OD1-NH2 2.65Å; D596-R645 IonicContact OD2-CZ 3.32Å; D596-R645 IonicContact OD2-NE 3.28Å; D596-R645 IonicContact OD2-NH2 2.72Å; D596-R645 PolarHBondContact OD2-NH2 3.4Å; D596-R645 VanDerWaalsContact OD2-NH2 3.12Å; D596-K649 IonicContact OD2-NZ 2.87Å; D596-K649 PolarHBondContact OD2-NZ 2.98Å
597	S	66	Low	85.2	Confident	138 Å²	138	62.5 Å²	62.5	97%	0.965	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	0.3	-177.9	54.6	0	0	0	0	114.9
598	G	68.5	Low	85.1	Confident	47 Å²	47	63.8 Å²	63.8	49%	0.485	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	8.1	173.8	0	0	0	0	0	114.3	D596 W622	D596-G598 PolarHBondContact O-N 2.94Å; D596-G598 PolarHBondContact OD1-N 3.09Å; D596-G598 VanDerWaalsContact OD1-N 3.1Å; G598-W622 VanDerWaalsContact O-CZ2 3.31Å; G598-W622 WeakPolarHBondContact O-CZ2 3.13Å
599	L	72.4	Confident	85.1	Confident	42 Å²	42	64.4 Å²	64.4	22%	0.22	36%	0.362	C	S	.	.			trans	-76.5	132.9	-171.5	175.3	67.4	0	0	0	113.3	K593 D596 W622	K593-L599 HydrophobicContact CB-CD2 3.61Å; K593-L599 VanDerWaalsContact O-CD2 3.22Å; K593-L599 WeakPolarHBondContact O-CD2 3.43Å; D596-L599 HydrophobicContact CB-CB 4.47Å; D596-L599 WeakPolarHBondContact O-CB 3.36Å; D596-L599 PolarHBondContact O-N 3.37Å; L599-W622 HydrophobicContact CB-CH2 4.01Å; L599-W622 HydrophobicContact CB-CZ2 4.37Å; L599-W622 HydrophobicContact CD1-CE3 4.21Å; L599-W622 HydrophobicContact CD1-CH2 3.69Å; L599-W622 HydrophobicContact CD1-CZ2 4.48Å; L599-W622 HydrophobicContact CD1-CZ3 3.53Å; L599-W622 HydrophobicContact CG-CH2 4.47Å
600	P	67.3	Low	85.1	Confident	54 Å²	54	64.1 Å²	64.1	35%	0.351	36%	0.363	S	S	.	.			trans	-59.4	157.1	166.4	-27.1	36.8	0	0	0	113.4	Q602 G603 W622 V639	P600-Q602 PolarHBondContact O-N 2.72Å; P600-G603 PolarHBondContact O-N 3.03Å; P600-W622 HydrophobicContact CG-CD2 4.36Å; P600-W622 HydrophobicContact CG-CG 4.17Å; P600-V639 HydrophobicContact CG-CG1 4.31Å
601	S	68.1	Low	85.2	Confident	128 Å²	128	60.4 Å²	60.4	90%	0.895	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-3.7	-166.9	48.6	0	0	0	0	117.8
602	Q	79.4	Confident	85.4	Confident	137 Å²	137	59.5 Å²	59.5	64%	0.64	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	51.3	-177.4	-65.5	178.6	-59.9	0	0	112.1	P600 G638 V639	P600-Q602 PolarHBondContact O-N 2.72Å; Q602-G638 CarbonylContact O-C 3.58Å; Q602-G638 VanDerWaalsContact O-CA 3.23Å; Q602-G638 WeakPolarHBondContact O-CA 3.47Å; Q602-V639 PolarHBondContact O-N 2.64Å
603	G	85.6	Confident	85.6	Confident	5 Å²	5	58.9 Å²	58.9	5%	0.052	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-62.1	145.8	174.7	0	0	0	0	0	113.3	K593 P600 V639	K593-G603 WeakPolarHBondContact CD-O 3.11Å; K593-G603 WeakPolarHBondContact CE-O 3.45Å; K593-G603 PolarHBondContact NZ-O 2.82Å; P600-G603 PolarHBondContact O-N 3.03Å; G603-V639 CarbonylContact C-O 3.53Å; G603-V639 WeakPolarHBondContact CA-O 3.18Å
604	L	92.3	Very high	85.8	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.042	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-99.5	145.1	168.4	-173.1	65.9	0	0	0	109.4	Y591 L612 V639 I640	Y591-L604 VanDerWaalsContact CD1-O 3.24Å; Y591-L604 WeakPolarHBondContact CD1-O 3.27Å; Y591-L604 WeakPolarHBondContact CE1-O 3.36Å; L604-L612 HydrophobicContact CD2-CD2 4.28Å; L604-V639 PolarHBondContact N-O 2.96Å; L604-I640 HydrophobicContact CB-CG2 3.88Å; L604-I640 HydrophobicContact CD2-CG2 4.12Å; L604-I640 HydrophobicContact CG-CG2 4.46Å
605	N	93.1	Very high	86	Confident	69 Å²	69	53 Å²	53	37%	0.369	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-97.5	148.7	171.5	-79.4	-27.4	0	0	0	109.4	K593	K593-N605 VanDerWaalsContact CB-OD1 3.29Å; K593-N605 WeakPolarHBondContact CB-OD1 3.26Å; K593-N605 WeakPolarHBondContact CG-OD1 3.41Å; K593-N605 PolarHBondContact N-OD1 2.97Å
606	F	94.9	Very high	86.1	Confident	5 Å²	5	47.6 Å²	47.6	2%	0.022	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-157.8	168.5	171.4	59.2	-95.8	0	0	0	112.1	A587 F589 Y591 D610 L612 I640 Y725	A587-F606 HydrophobicContact CB-CD2 3.45Å; A587-F606 VanDerWaalsContact CB-CD2 3.45Å; A587-F606 HydrophobicContact CB-CE2 3.64Å; A587-F606 HydrophobicContact CB-CG 4.45Å; F589-F606 HydrophobicContact CD1-CE2 4.48Å; F589-F606 HydrophobicContact CD2-CE2 4.42Å; F589-F606 HydrophobicContact CE1-CE2 4.01Å; F589-F606 HydrophobicContact CE1-CZ 4.16Å; F589-F606 AromaticContact CE2-CE2 3.97Å; F589-F606 HydrophobicContact CE2-CE2 3.97Å; F589-F606 AromaticContact CE2-CZ 3.91Å; F589-F606 HydrophobicContact CE2-CZ 3.91Å; F589-F606 AromaticContact CZ-CE2 3.74Å; F589-F606 HydrophobicContact CZ-CE2 3.74Å; F589-F606 AromaticContact CZ-CZ 3.54Å; F589-F606 HydrophobicContact CZ-CZ 3.54Å; Y591-F606 VanDerWaalsContact CB-CE1 3.42Å; Y591-F606 HydrophobicContact CD1-CD1 4.1Å; Y591-F606 AromaticContact CD1-CE1 3.64Å; Y591-F606 HydrophobicContact CD1-CE1 3.64Å; Y591-F606 HydrophobicContact CD1-CZ 4.25Å; Y591-F606 HydrophobicContact CG-CD1 4.41Å; Y591-F606 AromaticContact CG-CE1 3.79Å; Y591-F606 HydrophobicContact CG-CE1 3.79Å; Y591-F606 AromaticContact CG-CZ 3.92Å; Y591-F606 HydrophobicContact CG-CZ 3.92Å; Y591-F606 PolarHBondContact N-O 2.91Å; Y591-F606 PolarHBondContact O-N 3.41Å; Y591-F606 VanDerWaalsContact O-O 3.11Å; F606-D610 VanDerWaalsContact CA-OD2 3.26Å; F606-D610 WeakPolarHBondContact CA-OD2 3.28Å; F606-D610 HydrophobicContact CB-CB 4.1Å; F606-D610 WeakPolarHBondContact CB-OD2 3.33Å; F606-L612 HydrophobicContact CB-CD1 4.37Å; F606-L612 HydrophobicContact CB-CD2 4.07Å; F606-L612 HydrophobicContact CD1-CD1 3.77Å; F606-L612 HydrophobicContact CD2-CD1 4.21Å; F606-L612 HydrophobicContact CE1-CD1 4.03Å; F606-L612 HydrophobicContact CE2-CD1 4.43Å; F606-L612 HydrophobicContact CG-CD1 3.87Å; F606-L612 HydrophobicContact CG-CD2 4.43Å; F606-L612 HydrophobicContact CZ-CD1 4.33Å; F606-I640 HydrophobicContact CD1-CG2 3.85Å; F606-I640 HydrophobicContact CE1-CB 3.82Å; F606-I640 HydrophobicContact CE1-CG2 3.56Å; F606-Y725 HydrophobicContact CE2-CE1 4.12Å; F606-Y725 AromaticContact CZ-CE1 3.8Å; F606-Y725 HydrophobicContact CZ-CE1 3.8Å; F606-Y725 AromaticContact CZ-CZ 3.99Å; F606-Y725 WeakPolarHBondContact CZ-OH 3.27Å
607	K	94.7	Very high	86.4	Confident	120 Å²	120	48.6 Å²	48.6	52%	0.522	29%	0.291	S	S	.	.			trans	-119.4	162.7	-176.2	-66.6	-60.5	-174.5	169.5	0	112.1	A587 D590 G609 D610	A587-K607 WeakPolarHBondContact CB-O 3.45Å; D590-K607 VanDerWaalsContact CG-CD 3.47Å; D590-K607 WeakPolarHBondContact OD1-CA 3.41Å; D590-K607 VanDerWaalsContact OD1-CD 3.28Å; D590-K607 WeakPolarHBondContact OD1-CD 3.24Å; D590-K607 VanDerWaalsContact OD2-CD 3.24Å; D590-K607 WeakPolarHBondContact OD2-CD 3.23Å; D590-K607 IonicContact OD2-NZ 2.78Å; D590-K607 PolarHBondContact OD2-NZ 3.43Å; K607-G609 PolarHBondContact O-N 3.36Å; K607-D610 PolarHBondContact N-OD2 3.03Å; K607-D610 WeakPolarHBondContact O-CB 3.37Å; K607-D610 PolarHBondContact O-N 3.18Å; K607-D610 VanDerWaalsContact O-N 3.14Å
608	F	95.7	Very high	87.2	Confident	27 Å²	27	46.8 Å²	46.8	12%	0.118	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	126.6	164.6	-176.8	-78.6	0	0	0	110.4	L588 D590 T887 F890 I893	L588-F608 VanDerWaalsContact C-CD2 3.41Å; L588-F608 HydrophobicContact CB-CE2 4.26Å; L588-F608 HydrophobicContact CD2-CE2 4.14Å; L588-F608 HydrophobicContact CD2-CZ 4.23Å; L588-F608 WeakPolarHBondContact O-CD2 3.42Å; D590-F608 PolarHBondContact OD1-N 2.94Å; F608-T887 HydrophobicContact CD2-CG2 4.38Å; F608-T887 HydrophobicContact CE2-CG2 3.5Å; F608-T887 HydrophobicContact CZ-CG2 4.03Å; F608-T887 WeakPolarHBondContact CZ-O 3.39Å; F608-F890 HydrophobicContact CE1-CB 4.15Å; F608-F890 HydrophobicContact CZ-CB 4.25Å; F608-I893 HydrophobicContact CD1-CB 4.36Å; F608-I893 HydrophobicContact CD1-CD1 4.03Å; F608-I893 HydrophobicContact CD1-CG1 3.83Å; F608-I893 HydrophobicContact CD2-CD1 3.93Å; F608-I893 HydrophobicContact CE1-CD1 4.17Å; F608-I893 HydrophobicContact CE1-CG1 3.94Å; F608-I893 HydrophobicContact CE2-CD1 4.07Å; F608-I893 HydrophobicContact CG-CD1 3.95Å; F608-I893 HydrophobicContact CG-CG1 4.23Å; F608-I893 HydrophobicContact CZ-CD1 4.2Å; F608-I893 HydrophobicContact CZ-CG1 4.4Å
609	G	94.6	Very high	87.9	Confident	15 Å²	15	48.2 Å²	48.2	16%	0.155	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	96	-17.5	-179.9	0	0	0	0	0	114.9	A587 K607	A587-G609 PolarHBondContact O-N 2.83Å; K607-G609 PolarHBondContact O-N 3.36Å
610	D	94.8	Very high	88.4	Confident	36 Å²	36	51 Å²	51	19%	0.193	29%	0.29	C	S	.	.			trans	-59.4	142.4	179.4	-87.5	-29.3	0	0	0	112.1	R586 A587 F606 K607 Q627	R586-D610 WeakPolarHBondContact CA-O 3.3Å; A587-D610 HydrophobicContact CB-CB 4.49Å; A587-D610 PolarHBondContact N-O 3.15Å; F606-D610 VanDerWaalsContact CA-OD2 3.26Å; F606-D610 WeakPolarHBondContact CA-OD2 3.28Å; F606-D610 HydrophobicContact CB-CB 4.1Å; F606-D610 WeakPolarHBondContact CB-OD2 3.33Å; K607-D610 PolarHBondContact N-OD2 3.03Å; K607-D610 WeakPolarHBondContact O-CB 3.37Å; K607-D610 PolarHBondContact O-N 3.18Å; K607-D610 VanDerWaalsContact O-N 3.14Å; D610-Q627 VanDerWaalsContact CG-NE2 3.31Å; D610-Q627 PolarHBondContact OD1-NE2 3.09Å; D610-Q627 PolarHBondContact OD2-NE2 3.48Å
611	I	95.6	Very high	89.4	Confident	13 Å²	13	50.8 Å²	50.8	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.1	173.2	-50.6	-58.1	0	0	0	109.1	V585 R586 V628 V728 W919	V585-I611 WeakPolarHBondContact O-CA 3.4Å; R586-I611 HydrophobicContact CB-CD1 3.92Å; R586-I611 HydrophobicContact CG-CD1 3.97Å; I611-V628 HydrophobicContact CB-CB 4.24Å; I611-V628 HydrophobicContact CG2-CB 4.1Å; I611-V628 HydrophobicContact CG2-CG2 4.25Å; I611-V628 PolarHBondContact O-N 2.81Å; I611-V728 HydrophobicContact CD1-CG2 4.38Å; I611-V728 HydrophobicContact CG2-CG2 4.41Å; I611-W919 HydrophobicContact CD1-CB 3.92Å; I611-W919 HydrophobicContact CD1-CD2 4.49Å; I611-W919 HydrophobicContact CD1-CG 3.92Å; I611-W919 HydrophobicContact CG1-CB 4.41Å; I611-W919 HydrophobicContact CG1-CD2 4.31Å; I611-W919 HydrophobicContact CG1-CG 3.89Å; I611-W919 HydrophobicContact CG2-CD2 3.86Å; I611-W919 HydrophobicContact CG2-CE3 4.13Å; I611-W919 HydrophobicContact CG2-CG 4.33Å; I611-W919 HydrophobicContact CG2-CH2 4.34Å; I611-W919 HydrophobicContact CG2-CZ2 4.1Å; I611-W919 HydrophobicContact CG2-CZ3 4.35Å
612	L	96.1	Very high	90.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.9	-177	-53.6	174.8	0	0	0	109.5	Y584 V585 A587 L604 F606 V614 R626 Q627 I640 Y725	Y584-L612 WeakPolarHBondContact CA-O 3.26Å; V585-L612 HydrophobicContact CG2-CB 3.92Å; V585-L612 HydrophobicContact CG2-CD1 4.42Å; V585-L612 PolarHBondContact N-O 2.93Å; V585-L612 PolarHBondContact O-N 2.83Å; A587-L612 HydrophobicContact CB-CD1 4.43Å; L604-L612 HydrophobicContact CD2-CD2 4.28Å; F606-L612 HydrophobicContact CB-CD1 4.37Å; F606-L612 HydrophobicContact CB-CD2 4.07Å; F606-L612 HydrophobicContact CD1-CD1 3.77Å; F606-L612 HydrophobicContact CD2-CD1 4.21Å; F606-L612 HydrophobicContact CE1-CD1 4.03Å; F606-L612 HydrophobicContact CE2-CD1 4.43Å; F606-L612 HydrophobicContact CG-CD1 3.87Å; F606-L612 HydrophobicContact CG-CD2 4.43Å; F606-L612 HydrophobicContact CZ-CD1 4.33Å; L612-V614 PolarHBondContact O-N 3.33Å; L612-R626 CarbonylContact C-O 3.55Å; L612-R626 WeakPolarHBondContact CA-O 3.24Å; L612-Q627 HydrophobicContact CD2-CB 4.35Å; L612-Q627 HydrophobicContact CD2-CG 4.41Å; L612-I640 HydrophobicContact CD1-CD1 3.86Å; L612-Y725 HydrophobicContact CD1-CE1 4.15Å
613	H	95.2	Very high	91	Very high	34 Å²	34	40.9 Å²	40.9	16%	0.157	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	106.3	166.4	-175.9	-129	0	0	0	108.4	S582 Y584 I615 A625 R626 V628 E633	S582-H613 WeakPolarHBondContact CB-NE2 3.37Å; S582-H613 PolarHBondContact OG-NE2 2.64Å; Y584-H613 HydrophobicContact CD1-CB 3.81Å; Y584-H613 AromaticContact CD1-CD2 3.73Å; Y584-H613 HydrophobicContact CE1-CB 3.61Å; Y584-H613 AromaticContact CE1-CD2 3.35Å; Y584-H613 WeakPolarHBondContact CE1-CD2 3.31Å; Y584-H613 AromaticContact CE1-CG 3.7Å; Y584-H613 AromaticContact CE2-CD2 3.82Å; Y584-H613 AromaticContact CE2-NE2 3.99Å; Y584-H613 AromaticContact CZ-CD2 3.4Å; Y584-H613 VanDerWaalsContact CZ-CD2 3.4Å; Y584-H613 AromaticContact CZ-NE2 3.95Å; H613-I615 WeakPolarHBondContact ND1-CG1 2.85Å; H613-I615 PolarHBondContact O-N 3.06Å; H613-A625 CarbonylContact O-C 3.5Å; H613-A625 WeakPolarHBondContact O-CA 3.28Å; H613-A625 WeakPolarHBondContact O-CB 3.32Å; H613-R626 HydrophobicContact CB-CG 3.88Å; H613-R626 PolarHBondContact N-O 3Å; H613-R626 PolarHBondContact O-N 3.13Å; H613-V628 HydrophobicContact CB-CG2 4.01Å; H613-E633 VanDerWaalsContact CB-OE1 3.28Å; H613-E633 WeakPolarHBondContact CB-OE1 3.27Å; H613-E633 IonicContact CG-OE1 2.69Å; H613-E633 VanDerWaalsContact CG-OE1 3.27Å; H613-E633 IonicContact ND1-OE1 3.69Å; H613-E633 PolarHBondContact ND1-OE1 3.49Å
614	V	93.6	Very high	91.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	98.2	172.9	-177.1	0	0	0	0	107.7	S582 L583 V585 L612 A617 W623 Q624 A625 I640	S582-V614 CarbonylContact C-O 3.49Å; S582-V614 WeakPolarHBondContact CA-O 3.05Å; S582-V614 WeakPolarHBondContact CB-O 3.21Å; L583-V614 HydrophobicContact CD1-CB 4.13Å; L583-V614 HydrophobicContact CD1-CG2 4.27Å; L583-V614 HydrophobicContact CG-CB 4.32Å; L583-V614 PolarHBondContact N-O 2.63Å; L583-V614 PolarHBondContact O-N 2.65Å; V585-V614 HydrophobicContact CG1-CG2 4.17Å; V585-V614 HydrophobicContact CG2-CG2 3.89Å; L612-V614 PolarHBondContact O-N 3.33Å; V614-A617 HydrophobicContact CG1-CB 3.97Å; V614-W623 HydrophobicContact CG1-CB 4.05Å; V614-W623 HydrophobicContact CG1-CD2 4.27Å; V614-W623 HydrophobicContact CG1-CE3 4.15Å; V614-W623 HydrophobicContact CG1-CG 4.3Å; V614-W623 HydrophobicContact CG2-CE3 4.15Å; V614-Q624 CarbonylContact C-O 3.39Å; V614-A625 HydrophobicContact CG2-CB 4.35Å; V614-I640 HydrophobicContact CG2-CD1 4.24Å
615	I	91	Very high	91.4	Very high	57 Å²	57	44.5 Å²	44.5	29%	0.292	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-36.4	179.2	-62.9	164.4	0	0	0	110.5	H613 Q624 R626 V637	H613-I615 WeakPolarHBondContact ND1-CG1 2.85Å; H613-I615 PolarHBondContact O-N 3.06Å; I615-Q624 PolarHBondContact N-O 2.92Å; I615-R626 HydrophobicContact CD1-CG 4.05Å; I615-V637 HydrophobicContact CD1-CB 4.36Å; I615-V637 HydrophobicContact CD1-CG1 3.89Å; I615-V637 HydrophobicContact CD1-CG2 3.56Å
616	N	87.1	Confident	91.4	Very high	49 Å²	49	43.6 Å²	43.6	26%	0.262	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	117.3	178.8	-175.7	20.5	0	0	0	112.7	S618 W623 Q624	N616-S618 PolarHBondContact ND2-OG 2.84Å; N616-S618 WeakPolarHBondContact OD1-CB 3.38Å; N616-S618 PolarHBondContact OD1-N 2.82Å; N616-S618 PolarHBondContact OD1-OG 2.92Å; N616-S618 VanDerWaalsContact OD1-OG 3.07Å; N616-W623 WeakPolarHBondContact O-CA 3.42Å; N616-Q624 HydrophobicContact CB-CB 4.08Å; N616-Q624 HydrophobicContact CB-CG 4.3Å; N616-Q624 PolarHBondContact N-O 3.35Å; N616-Q624 VanDerWaalsContact N-O 3.11Å; N616-Q624 PolarHBondContact ND2-OE1 3.38Å; N616-Q624 PolarHBondContact O-N 3.45Å
617	A	88.3	Confident	91.4	Very high	37 Å²	37	46.1 Å²	46.1	31%	0.306	24%	0.24	S	C	.	.			trans	-102.4	14	176.4	0	0	0	0	0	113.9	V614 D619 W623	V614-A617 HydrophobicContact CG1-CB 3.97Å; A617-D619 VanDerWaalsContact C-N 3.29Å; A617-D619 PolarHBondContact O-N 2.93Å; A617-W623 HydrophobicContact CB-CD2 4.2Å; A617-W623 HydrophobicContact CB-CG 4.29Å; A617-W623 HydrophobicContact CB-CZ2 4.33Å; A617-W623 PolarHBondContact O-NE1 3.42Å
618	S	82.5	Confident	91.3	Very high	99 Å²	99	41.3 Å²	41.3	69%	0.692	22%	0.221	S	C	*	.			trans	-70	-17	-170.6	69.9	0	0	0	0	116	N616	N616-S618 PolarHBondContact ND2-OG 2.84Å; N616-S618 WeakPolarHBondContact OD1-CB 3.38Å; N616-S618 PolarHBondContact OD1-N 2.82Å; N616-S618 PolarHBondContact OD1-OG 2.92Å; N616-S618 VanDerWaalsContact OD1-OG 3.07Å
619	D	82.8	Confident	90.8	Very high	78 Å²	78	42.9 Å²	42.9	42%	0.417	23%	0.232	S	C	.	.	S	Bend	trans	-100.8	133.7	-179	177.4	-55.2	0	0	0	110.2	A617 E621 W622 W623	A617-D619 VanDerWaalsContact C-N 3.29Å; A617-D619 PolarHBondContact O-N 2.93Å; D619-E621 VanDerWaalsContact C-N 3.27Å; D619-E621 PolarHBondContact O-N 3.44Å; D619-E621 WeakPolarHBondContact OD1-CA 3.49Å; D619-E621 PolarHBondContact OD1-N 2.75Å; D619-W622 WeakPolarHBondContact CB-O 3.45Å; D619-W622 PolarHBondContact OD1-N 2.85Å; D619-W623 VanDerWaalsContact O-CD1 3.23Å; D619-W623 PolarHBondContact O-NE1 2.97Å
620	D	83.8	Confident	90	Very high	99 Å²	99	47.4 Å²	47.4	53%	0.529	26%	0.259	S	S	.	.	S	Bend	trans	-71.1	-16.2	-171.8	-114.6	-21.7	0	0	0	113.6	S642 R644	D620-S642 VanDerWaalsContact C-OG 3.31Å; D620-S642 PolarHBondContact O-OG 2.99Å; D620-R644 WeakPolarHBondContact OD1-CD 3.44Å; D620-R644 IonicContact OD1-CZ 2.94Å; D620-R644 IonicContact OD1-NE 3.99Å; D620-R644 IonicContact OD1-NH1 3.15Å; D620-R644 PolarHBondContact OD1-NH1 3.05Å; D620-R644 IonicContact OD2-CZ 3.64Å; D620-R644 IonicContact OD2-NH1 2.84Å; D620-R644 PolarHBondContact OD2-NH1 3.25Å
621	E	87.5	Confident	89.2	Confident	50 Å²	50	53.3 Å²	53.3	23%	0.234	29%	0.291	C	S	.	.	S	Bend	trans	-119	-28.9	-178.4	-70.5	-84.4	156	0	0	113	D619 S642 R645 K648	D619-E621 VanDerWaalsContact C-N 3.27Å; D619-E621 PolarHBondContact O-N 3.44Å; D619-E621 WeakPolarHBondContact OD1-CA 3.49Å; D619-E621 PolarHBondContact OD1-N 2.75Å; E621-S642 WeakPolarHBondContact CA-OG 3.23Å; E621-S642 PolarHBondContact O-N 3.3Å; E621-R645 WeakPolarHBondContact O-CD 3.32Å; E621-R645 VanDerWaalsContact OE2-CD 3.32Å; E621-R645 WeakPolarHBondContact OE2-CD 3.43Å; E621-R645 VanDerWaalsContact OE2-CG 3.31Å; E621-R645 WeakPolarHBondContact OE2-CG 3.43Å; E621-R645 IonicContact OE2-CZ 2.82Å; E621-R645 IonicContact OE2-NE 2.97Å; E621-R645 IonicContact OE2-NH1 3.46Å; E621-R645 PolarHBondContact OE2-NH1 3.11Å; E621-K648 IonicContact OE1-NZ 3.84Å; E621-K648 PolarHBondContact OE1-NZ 3.05Å
622	W	90.2	Very high	88.5	Confident	35 Å²	35	54.3 Å²	54.3	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	112.8	-171.1	-67.2	115.4	0	0	0	113.7	G598 L599 P600 D619 V639 I640 P641 R645	G598-W622 VanDerWaalsContact O-CZ2 3.31Å; G598-W622 WeakPolarHBondContact O-CZ2 3.13Å; L599-W622 HydrophobicContact CB-CH2 4.01Å; L599-W622 HydrophobicContact CB-CZ2 4.37Å; L599-W622 HydrophobicContact CD1-CE3 4.21Å; L599-W622 HydrophobicContact CD1-CH2 3.69Å; L599-W622 HydrophobicContact CD1-CZ2 4.48Å; L599-W622 HydrophobicContact CD1-CZ3 3.53Å; L599-W622 HydrophobicContact CG-CH2 4.47Å; P600-W622 HydrophobicContact CG-CD2 4.36Å; P600-W622 HydrophobicContact CG-CG 4.17Å; D619-W622 WeakPolarHBondContact CB-O 3.45Å; D619-W622 PolarHBondContact OD1-N 2.85Å; W622-V639 HydrophobicContact CB-CG1 3.75Å; W622-V639 HydrophobicContact CD2-CG1 4.07Å; W622-V639 HydrophobicContact CE3-CG1 3.69Å; W622-V639 HydrophobicContact CG-CG1 4.13Å; W622-I640 CarbonylContact C-O 3.55Å; W622-P641 HydrophobicContact CZ3-CB 4.21Å; W622-P641 HydrophobicContact CZ3-CG 3.83Å; W622-R645 VanDerWaalsContact CZ2-NH2 3.34Å
623	W	92.3	Very high	88	Confident	22 Å²	22	57.5 Å²	57.5	8%	0.083	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147.1	177.2	-65.8	-13	0	0	0	112.1	V614 N616 A617 D619 V639 I640 K643 Y725 L926	V614-W623 HydrophobicContact CG1-CB 4.05Å; V614-W623 HydrophobicContact CG1-CD2 4.27Å; V614-W623 HydrophobicContact CG1-CE3 4.15Å; V614-W623 HydrophobicContact CG1-CG 4.3Å; V614-W623 HydrophobicContact CG2-CE3 4.15Å; N616-W623 WeakPolarHBondContact O-CA 3.42Å; A617-W623 HydrophobicContact CB-CD2 4.2Å; A617-W623 HydrophobicContact CB-CG 4.29Å; A617-W623 HydrophobicContact CB-CZ2 4.33Å; A617-W623 PolarHBondContact O-NE1 3.42Å; D619-W623 VanDerWaalsContact O-CD1 3.23Å; D619-W623 PolarHBondContact O-NE1 2.97Å; W623-V639 CarbonylContact O-C 3.5Å; W623-V639 WeakPolarHBondContact O-CA 3.26Å; W623-I640 HydrophobicContact CB-CD1 4.47Å; W623-I640 HydrophobicContact CB-CG1 3.88Å; W623-I640 HydrophobicContact CE3-CD1 4.48Å; W623-I640 PolarHBondContact N-O 3.07Å; W623-I640 PolarHBondContact O-N 3.03Å; W623-K643 HydrophobicContact CH2-CB 3.39Å; W623-K643 HydrophobicContact CZ2-CB 3.88Å; W623-K643 HydrophobicContact CZ3-CB 4.05Å; W623-Y725 HydrophobicContact CE3-CE2 4.36Å; W623-Y725 AromaticContact CZ3-CD2 3.86Å; W623-Y725 HydrophobicContact CZ3-CD2 3.86Å; W623-Y725 HydrophobicContact CZ3-CE2 4.15Å; W623-Y725 HydrophobicContact CZ3-CG 4.44Å; W623-L926 HydrophobicContact CH2-CD2 4.44Å
624	Q	90.6	Very high	87.4	Confident	90 Å²	90	58 Å²	58	42%	0.421	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.1	171.2	-53.4	178.8	-87.1	0	0	108.9	V614 I615 N616 G638	V614-Q624 CarbonylContact C-O 3.39Å; I615-Q624 PolarHBondContact N-O 2.92Å; N616-Q624 HydrophobicContact CB-CB 4.08Å; N616-Q624 HydrophobicContact CB-CG 4.3Å; N616-Q624 PolarHBondContact N-O 3.35Å; N616-Q624 VanDerWaalsContact N-O 3.11Å; N616-Q624 PolarHBondContact ND2-OE1 3.38Å; N616-Q624 PolarHBondContact O-N 3.45Å; Q624-G638 WeakPolarHBondContact CA-O 3.33Å
625	A	94.2	Very high	86.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	164.4	-175.2	0	0	0	0	0	112.6	H613 V614 G638 I640	H613-A625 CarbonylContact O-C 3.5Å; H613-A625 WeakPolarHBondContact O-CA 3.28Å; H613-A625 WeakPolarHBondContact O-CB 3.32Å; V614-A625 HydrophobicContact CG2-CB 4.35Å; A625-G638 PolarHBondContact N-O 2.68Å; A625-G638 PolarHBondContact O-N 3.29Å; A625-G638 VanDerWaalsContact O-O 3.09Å; A625-I640 HydrophobicContact CB-CD1 3.64Å; A625-I640 HydrophobicContact CB-CG1 3.99Å; A625-I640 HydrophobicContact CB-CG2 4.33Å
626	R	94.5	Very high	86.5	Confident	49 Å²	49	68 Å²	68	19%	0.185	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.3	168.2	57.6	174	168.2	-173.5	4.1	110.7	L612 H613 I615 E633 S634 V637	L612-R626 CarbonylContact C-O 3.55Å; L612-R626 WeakPolarHBondContact CA-O 3.24Å; H613-R626 HydrophobicContact CB-CG 3.88Å; H613-R626 PolarHBondContact N-O 3Å; H613-R626 PolarHBondContact O-N 3.13Å; I615-R626 HydrophobicContact CD1-CG 4.05Å; R626-E633 VanDerWaalsContact CZ-CD 3.47Å; R626-E633 IonicContact CZ-OE1 2.65Å; R626-E633 VanDerWaalsContact CZ-OE1 3.26Å; R626-E633 IonicContact CZ-OE2 2.65Å; R626-E633 IonicContact NE-OE1 2.64Å; R626-E633 PolarHBondContact NE-OE1 3.43Å; R626-E633 IonicContact NE-OE2 2.64Å; R626-E633 IonicContact NH2-OE1 2.68Å; R626-E633 PolarHBondContact NH2-OE1 3.47Å; R626-E633 VanDerWaalsContact NH2-OE1 3.11Å; R626-E633 IonicContact NH2-OE2 3.4Å; R626-E633 PolarHBondContact NH2-OE2 3.39Å; R626-S634 WeakPolarHBondContact CD-O 3.28Å; R626-S634 PolarHBondContact NH1-O 3.17Å; R626-V637 HydrophobicContact CB-CG2 4.47Å
627	Q	94.1	Very high	86.6	Confident	59 Å²	59	68.7 Å²	68.7	28%	0.276	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	143.7	173.8	-166.1	175.3	13.7	0	0	110.3	D610 L612 S634	D610-Q627 VanDerWaalsContact CG-NE2 3.31Å; D610-Q627 PolarHBondContact OD1-NE2 3.09Å; D610-Q627 PolarHBondContact OD2-NE2 3.48Å; L612-Q627 HydrophobicContact CD2-CB 4.35Å; L612-Q627 HydrophobicContact CD2-CG 4.41Å; Q627-S634 WeakPolarHBondContact O-CB 3.24Å; Q627-S634 PolarHBondContact O-N 2.85Å
628	V	92.4	Very high	86.7	Confident	19 Å²	19	67.1 Å²	67.1	12%	0.115	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.3	173.5	-170.6	0	0	0	0	108.3	Y584 I611 H613 E633 W919	Y584-V628 HydrophobicContact CD1-CG2 4.03Å; Y584-V628 HydrophobicContact CE1-CG2 3.95Å; I611-V628 HydrophobicContact CB-CB 4.24Å; I611-V628 HydrophobicContact CG2-CB 4.1Å; I611-V628 HydrophobicContact CG2-CG2 4.25Å; I611-V628 PolarHBondContact O-N 2.81Å; H613-V628 HydrophobicContact CB-CG2 4.01Å; V628-E633 HydrophobicContact CG1-CG 4.33Å; V628-E633 HydrophobicContact CG2-CG 4.27Å; V628-W919 HydrophobicContact CG1-CZ2 4.03Å
629	T	86.4	Confident	87.2	Confident	59 Å²	59	63.2 Å²	63.2	36%	0.362	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	171.8	179.3	70.5	0	0	0	0	110.1	D631 G632	T629-D631 PolarHBondContact O-N 3.36Å; T629-D631 PolarHBondContact OG1-N 2.99Å; T629-G632 PolarHBondContact N-O 3.26Å; T629-G632 PolarHBondContact O-N 2.91Å; T629-G632 VanDerWaalsContact O-N 3.16Å; T629-G632 PolarHBondContact OG1-O 3.25Å
630	P	77.7	Confident	87.8	Confident	110 Å²	110	59.5 Å²	59.5	71%	0.714	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.1	173.3	-26	36.8	0	0	0	113.9
631	D	77.8	Confident	88.3	Confident	161 Å²	161	55 Å²	55	86%	0.861	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.4	178.7	-56.1	-64.3	0	0	0	113.6	T629	T629-D631 PolarHBondContact O-N 3.36Å; T629-D631 PolarHBondContact OG1-N 2.99Å
632	G	81.4	Confident	88.5	Confident	33 Å²	33	52.7 Å²	52.7	34%	0.34	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	138	-159.4	178.7	0	0	0	0	0	114.1	T629	T629-G632 PolarHBondContact N-O 3.26Å; T629-G632 PolarHBondContact O-N 2.91Å; T629-G632 VanDerWaalsContact O-N 3.16Å; T629-G632 PolarHBondContact OG1-O 3.25Å
633	E	84.3	Confident	88.6	Confident	68 Å²	68	53.2 Å²	53.2	32%	0.318	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137	176.7	-56.9	-168.2	74.1	0	0	111.5	H613 R626 V628	H613-E633 VanDerWaalsContact CB-OE1 3.28Å; H613-E633 WeakPolarHBondContact CB-OE1 3.27Å; H613-E633 IonicContact CG-OE1 2.69Å; H613-E633 VanDerWaalsContact CG-OE1 3.27Å; H613-E633 IonicContact ND1-OE1 3.69Å; H613-E633 PolarHBondContact ND1-OE1 3.49Å; R626-E633 VanDerWaalsContact CZ-CD 3.47Å; R626-E633 IonicContact CZ-OE1 2.65Å; R626-E633 VanDerWaalsContact CZ-OE1 3.26Å; R626-E633 IonicContact CZ-OE2 2.65Å; R626-E633 IonicContact NE-OE1 2.64Å; R626-E633 PolarHBondContact NE-OE1 3.43Å; R626-E633 IonicContact NE-OE2 2.64Å; R626-E633 IonicContact NH2-OE1 2.68Å; R626-E633 PolarHBondContact NH2-OE1 3.47Å; R626-E633 VanDerWaalsContact NH2-OE1 3.11Å; R626-E633 IonicContact NH2-OE2 3.4Å; R626-E633 PolarHBondContact NH2-OE2 3.39Å; V628-E633 HydrophobicContact CG1-CG 4.33Å; V628-E633 HydrophobicContact CG2-CG 4.27Å
634	S	84	Confident	88.5	Confident	43 Å²	43	59.4 Å²	59.4	30%	0.301	31%	0.314	S	S	.	.			trans	-68.8	144.6	178.1	-176.5	0	0	0	0	113	R626 Q627 E636	R626-S634 WeakPolarHBondContact CD-O 3.28Å; R626-S634 PolarHBondContact NH1-O 3.17Å; Q627-S634 WeakPolarHBondContact O-CB 3.24Å; Q627-S634 PolarHBondContact O-N 2.85Å; S634-E636 PolarHBondContact O-N 2.97Å; S634-E636 PolarHBondContact OG-N 3.19Å; S634-E636 VanDerWaalsContact OG-N 3.11Å
635	D	80.9	Confident	88.5	Confident	159 Å²	159	57.1 Å²	57.1	85%	0.85	30%	0.302	S	S	*	.	S	Bend	trans	-70.5	-18.7	168.1	-70.5	-42.4	0	0	0	112.7	V637	D635-V637 PolarHBondContact O-N 3.34Å
636	E	84.9	Confident	88.3	Confident	108 Å²	108	57.6 Å²	57.6	51%	0.505	30%	0.304	S	S	.	.			trans	-74.9	91.2	176.4	-169.1	-179.9	168.2	0	0	110.9	K593 S634	K593-E636 IonicContact NZ-OE1 2.81Å; S634-E636 PolarHBondContact O-N 2.97Å; S634-E636 PolarHBondContact OG-N 3.19Å; S634-E636 VanDerWaalsContact OG-N 3.11Å
637	V	88.8	Confident	88.2	Confident	64 Å²	64	56.8 Å²	56.8	39%	0.388	30%	0.303	S	S	.	.			trans	-78.3	121.9	163.8	-178.3	0	0	0	0	109.5	I615 R626 D635	I615-V637 HydrophobicContact CD1-CB 4.36Å; I615-V637 HydrophobicContact CD1-CG1 3.89Å; I615-V637 HydrophobicContact CD1-CG2 3.56Å; R626-V637 HydrophobicContact CB-CG2 4.47Å; D635-V637 PolarHBondContact O-N 3.34Å
638	G	90.3	Very high	87.9	Confident	4 Å²	4	60 Å²	60	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-168.5	176.2	0	0	0	0	0	112.9	Q602 Q624 A625	Q602-G638 CarbonylContact O-C 3.58Å; Q602-G638 VanDerWaalsContact O-CA 3.23Å; Q602-G638 WeakPolarHBondContact O-CA 3.47Å; Q624-G638 WeakPolarHBondContact CA-O 3.33Å; A625-G638 PolarHBondContact N-O 2.68Å; A625-G638 PolarHBondContact O-N 3.29Å; A625-G638 VanDerWaalsContact O-O 3.09Å
639	V	92.7	Very high	87.7	Confident	18 Å²	18	64.2 Å²	64.2	11%	0.109	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.9	-174.8	179.3	0	0	0	0	110.2	P600 Q602 G603 L604 W622 W623	P600-V639 HydrophobicContact CG-CG1 4.31Å; Q602-V639 PolarHBondContact O-N 2.64Å; G603-V639 CarbonylContact C-O 3.53Å; G603-V639 WeakPolarHBondContact CA-O 3.18Å; L604-V639 PolarHBondContact N-O 2.96Å; W622-V639 HydrophobicContact CB-CG1 3.75Å; W622-V639 HydrophobicContact CD2-CG1 4.07Å; W622-V639 HydrophobicContact CE3-CG1 3.69Å; W622-V639 HydrophobicContact CG-CG1 4.13Å; W623-V639 CarbonylContact O-C 3.5Å; W623-V639 WeakPolarHBondContact O-CA 3.26Å
640	I	94.5	Very high	87.7	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152.3	175.5	65.2	175	0	0	0	110.6	L604 F606 L612 V614 W622 W623 A625 S642 Y725	L604-I640 HydrophobicContact CB-CG2 3.88Å; L604-I640 HydrophobicContact CD2-CG2 4.12Å; L604-I640 HydrophobicContact CG-CG2 4.46Å; F606-I640 HydrophobicContact CD1-CG2 3.85Å; F606-I640 HydrophobicContact CE1-CB 3.82Å; F606-I640 HydrophobicContact CE1-CG2 3.56Å; L612-I640 HydrophobicContact CD1-CD1 3.86Å; V614-I640 HydrophobicContact CG2-CD1 4.24Å; W622-I640 CarbonylContact C-O 3.55Å; W623-I640 HydrophobicContact CB-CD1 4.47Å; W623-I640 HydrophobicContact CB-CG1 3.88Å; W623-I640 HydrophobicContact CE3-CD1 4.48Å; W623-I640 PolarHBondContact N-O 3.07Å; W623-I640 PolarHBondContact O-N 3.03Å; A625-I640 HydrophobicContact CB-CD1 3.64Å; A625-I640 HydrophobicContact CB-CG1 3.99Å; A625-I640 HydrophobicContact CB-CG2 4.33Å; I640-S642 PolarHBondContact O-N 3.22Å; I640-Y725 HydrophobicContact CD1-CE1 4.2Å
641	P	94.2	Very high	88.1	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.032	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	135.5	173	-21.9	33	0	0	0	110.9	Y591 W622 R645 V646 Y725	Y591-P641 HydrophobicContact CD1-CG 4.35Å; Y591-P641 HydrophobicContact CD2-CG 3.72Å; Y591-P641 HydrophobicContact CE1-CG 4.06Å; Y591-P641 HydrophobicContact CE2-CG 3.4Å; Y591-P641 HydrophobicContact CG-CG 4.2Å; W622-P641 HydrophobicContact CZ3-CB 4.21Å; W622-P641 HydrophobicContact CZ3-CG 3.83Å; P641-R645 HydrophobicContact CB-CG 4.37Å; P641-V646 HydrophobicContact CB-CG2 3.76Å; P641-Y725 WeakPolarHBondContact O-CE2 3.4Å; P641-Y725 PolarHBondContact O-OH 2.86Å
642	S	92.4	Very high	88.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.007	29%	0.29	C	S	.	.			trans	-62	154.6	173.2	76.8	0	0	0	0	111.3	D620 E621 I640 R644 R645 V646	D620-S642 VanDerWaalsContact C-OG 3.31Å; D620-S642 PolarHBondContact O-OG 2.99Å; E621-S642 WeakPolarHBondContact CA-OG 3.23Å; E621-S642 PolarHBondContact O-N 3.3Å; I640-S642 PolarHBondContact O-N 3.22Å; S642-R644 PolarHBondContact O-N 3.12Å; S642-R644 PolarHBondContact OG-N 3.18Å; S642-R645 PolarHBondContact O-N 2.84Å; S642-R645 WeakPolarHBondContact OG-CB 3.47Å; S642-R645 PolarHBondContact OG-N 3.13Å; S642-V646 WeakPolarHBondContact O-CG2 3.41Å; S642-V646 PolarHBondContact O-N 3.39Å
643	K	91.9	Very high	88.5	Confident	45 Å²	45	62.4 Å²	62.4	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-48.3	-47.3	169.9	177.6	175.5	170.9	179.8	0	111.3	W623 R645 V646 E647 Y725 L926	W623-K643 HydrophobicContact CH2-CB 3.39Å; W623-K643 HydrophobicContact CZ2-CB 3.88Å; W623-K643 HydrophobicContact CZ3-CB 4.05Å; K643-R645 VanDerWaalsContact C-N 3.34Å; K643-R645 PolarHBondContact O-N 3.01Å; K643-V646 PolarHBondContact O-N 2.9Å; K643-E647 WeakPolarHBondContact CE-OE1 3.2Å; K643-E647 HydrophobicContact CG-CG 4.31Å; K643-E647 IonicContact NZ-OE1 3.81Å; K643-E647 WeakPolarHBondContact O-CG 3.19Å; K643-E647 PolarHBondContact O-N 2.69Å; K643-Y725 HydrophobicContact CB-CD2 3.97Å; K643-L926 HydrophobicContact CD-CB 3.67Å; K643-L926 HydrophobicContact CD-CD1 4.34Å; K643-L926 PolarHBondContact NZ-O 2.61Å
644	R	89.9	Confident	88.1	Confident	152 Å²	152	61 Å²	61	57%	0.574	29%	0.29	S	S	*	.	H	α-helix	trans	-59.8	-40.2	180	-163.5	177.6	-164.9	-174.2	1.6	112.6	D620 S642 K648	D620-R644 WeakPolarHBondContact OD1-CD 3.44Å; D620-R644 IonicContact OD1-CZ 2.94Å; D620-R644 IonicContact OD1-NE 3.99Å; D620-R644 IonicContact OD1-NH1 3.15Å; D620-R644 PolarHBondContact OD1-NH1 3.05Å; D620-R644 IonicContact OD2-CZ 3.64Å; D620-R644 IonicContact OD2-NH1 2.84Å; D620-R644 PolarHBondContact OD2-NH1 3.25Å; S642-R644 PolarHBondContact O-N 3.12Å; S642-R644 PolarHBondContact OG-N 3.18Å; R644-K648 WeakPolarHBondContact O-CB 3.34Å; R644-K648 PolarHBondContact O-N 3.34Å; R644-K648 VanDerWaalsContact O-N 3.09Å
645	R	90.9	Very high	87.7	Confident	43 Å²	43	66.2 Å²	66.2	16%	0.162	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-46.7	175.4	177	176.5	175.9	88.1	-3.4	112	D596 E621 W622 P641 S642 K643 K648 K649	D596-R645 VanDerWaalsContact CG-NH2 3.34Å; D596-R645 IonicContact OD1-NH2 2.84Å; D596-R645 PolarHBondContact OD1-NH2 2.65Å; D596-R645 IonicContact OD2-CZ 3.32Å; D596-R645 IonicContact OD2-NE 3.28Å; D596-R645 IonicContact OD2-NH2 2.72Å; D596-R645 PolarHBondContact OD2-NH2 3.4Å; D596-R645 VanDerWaalsContact OD2-NH2 3.12Å; E621-R645 WeakPolarHBondContact O-CD 3.32Å; E621-R645 VanDerWaalsContact OE2-CD 3.32Å; E621-R645 WeakPolarHBondContact OE2-CD 3.43Å; E621-R645 VanDerWaalsContact OE2-CG 3.31Å; E621-R645 WeakPolarHBondContact OE2-CG 3.43Å; E621-R645 IonicContact OE2-CZ 2.82Å; E621-R645 IonicContact OE2-NE 2.97Å; E621-R645 IonicContact OE2-NH1 3.46Å; E621-R645 PolarHBondContact OE2-NH1 3.11Å; W622-R645 VanDerWaalsContact CZ2-NH2 3.34Å; P641-R645 HydrophobicContact CB-CG 4.37Å; S642-R645 PolarHBondContact O-N 2.84Å; S642-R645 WeakPolarHBondContact OG-CB 3.47Å; S642-R645 PolarHBondContact OG-N 3.13Å; K643-R645 VanDerWaalsContact C-N 3.34Å; K643-R645 PolarHBondContact O-N 3.01Å; R645-K648 PolarHBondContact O-N 3.01Å; R645-K649 VanDerWaalsContact O-CB 3.28Å; R645-K649 WeakPolarHBondContact O-CB 3.41Å; R645-K649 PolarHBondContact O-N 3.47Å
646	V	91.1	Very high	86.8	Confident	9 Å²	9	63.9 Å²	63.9	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-54.6	177.9	178.2	0	0	0	0	110.1	F589 P641 S642 K643 K648 K649 E650 Y725	F589-V646 HydrophobicContact CD1-CG1 4.28Å; F589-V646 HydrophobicContact CE1-CG1 3.93Å; F589-V646 HydrophobicContact CE1-CG2 3.93Å; F589-V646 HydrophobicContact CE2-CG1 4.38Å; F589-V646 HydrophobicContact CE2-CG2 4.14Å; F589-V646 HydrophobicContact CZ-CB 4.38Å; F589-V646 HydrophobicContact CZ-CG1 3.98Å; F589-V646 HydrophobicContact CZ-CG2 3.43Å; F589-V646 VanDerWaalsContact CZ-CG2 3.43Å; P641-V646 HydrophobicContact CB-CG2 3.76Å; S642-V646 WeakPolarHBondContact O-CG2 3.41Å; S642-V646 PolarHBondContact O-N 3.39Å; K643-V646 PolarHBondContact O-N 2.9Å; V646-K648 VanDerWaalsContact C-N 3.33Å; V646-K648 PolarHBondContact O-N 3.34Å; V646-K649 WeakPolarHBondContact O-CB 2.96Å; V646-K649 PolarHBondContact O-N 2.87Å; V646-E650 PolarHBondContact O-N 3.37Å; V646-Y725 HydrophobicContact CG2-CE2 4.07Å
647	E	91	Very high	85.4	Confident	33 Å²	33	63.2 Å²	63.2	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-38.7	-177.3	-61.6	-179.5	-175.7	0	0	112.6	K643 R651 V722	K643-E647 WeakPolarHBondContact CE-OE1 3.2Å; K643-E647 HydrophobicContact CG-CG 4.31Å; K643-E647 IonicContact NZ-OE1 3.81Å; K643-E647 WeakPolarHBondContact O-CG 3.19Å; K643-E647 PolarHBondContact O-N 2.69Å; E647-R651 VanDerWaalsContact O-CB 3.27Å; E647-R651 WeakPolarHBondContact O-CB 3.35Å; E647-R651 VanDerWaalsContact O-CG 3.23Å; E647-R651 WeakPolarHBondContact O-CG 3.38Å; E647-R651 PolarHBondContact O-N 3.08Å; E647-R651 IonicContact OE2-CZ 2.74Å; E647-R651 IonicContact OE2-NH1 2.66Å; E647-R651 PolarHBondContact OE2-NH1 3.48Å; E647-R651 IonicContact OE2-NH2 3.05Å; E647-R651 PolarHBondContact OE2-NH2 3.3Å; E647-V722 HydrophobicContact CB-CB 4.39Å; E647-V722 HydrophobicContact CB-CG1 4.43Å; E647-V722 HydrophobicContact CG-CB 4.19Å; E647-V722 HydrophobicContact CG-CG1 4.41Å
648	K	88.9	Confident	83.4	Confident	125 Å²	125	66.1 Å²	66.1	54%	0.543	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-42.1	176.3	175.2	-179.2	171	-172.1	0	111.8	E621 R644 R645 V646 A652	E621-K648 IonicContact OE1-NZ 3.84Å; E621-K648 PolarHBondContact OE1-NZ 3.05Å; R644-K648 WeakPolarHBondContact O-CB 3.34Å; R644-K648 PolarHBondContact O-N 3.34Å; R644-K648 VanDerWaalsContact O-N 3.09Å; R645-K648 PolarHBondContact O-N 3.01Å; V646-K648 VanDerWaalsContact C-N 3.33Å; V646-K648 PolarHBondContact O-N 3.34Å; K648-A652 WeakPolarHBondContact O-CB 3.38Å; K648-A652 PolarHBondContact O-N 3.1Å; K648-A652 VanDerWaalsContact O-N 3.12Å
649	K	88.1	Confident	80.9	Confident	108 Å²	108	75 Å²	75	47%	0.47	35%	0.347	S	S	.	.	H	α-helix	trans	-65.7	-45	177.5	-171	174.8	-176.7	178	0	111.2	D596 R645 V646 A652 R653	D596-K649 IonicContact OD2-NZ 2.87Å; D596-K649 PolarHBondContact OD2-NZ 2.98Å; R645-K649 VanDerWaalsContact O-CB 3.28Å; R645-K649 WeakPolarHBondContact O-CB 3.41Å; R645-K649 PolarHBondContact O-N 3.47Å; V646-K649 WeakPolarHBondContact O-CB 2.96Å; V646-K649 PolarHBondContact O-N 2.87Å; K649-A652 WeakPolarHBondContact O-CB 3.49Å; K649-A652 PolarHBondContact O-N 2.87Å; K649-R653 PolarHBondContact O-N 2.9Å
650	E	85.6	Confident	78.1	Confident	56 Å²	56	81.4 Å²	81.4	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-74.9	-40.6	-179.9	-78.2	-60.4	104.7	0	0	113.5	V646 A652 R653 L654 V722	V646-E650 PolarHBondContact O-N 3.37Å; E650-A652 PolarHBondContact O-N 3.06Å; E650-R653 VanDerWaalsContact CD-NE 3.27Å; E650-R653 WeakPolarHBondContact O-CB 3.07Å; E650-R653 PolarHBondContact O-N 2.85Å; E650-R653 VanDerWaalsContact O-N 3.12Å; E650-R653 WeakPolarHBondContact OE1-CD 3.36Å; E650-R653 IonicContact OE1-CZ 2.73Å; E650-R653 IonicContact OE1-NE 2.73Å; E650-R653 PolarHBondContact OE1-NE 2.73Å; E650-R653 IonicContact OE2-CZ 3.91Å; E650-R653 IonicContact OE2-NE 3.29Å; E650-R653 PolarHBondContact OE2-NE 3.15Å; E650-R653 IonicContact OE2-NH2 2.76Å; E650-R653 PolarHBondContact OE2-NH2 3.24Å; E650-L654 WeakPolarHBondContact O-CB 3.34Å; E650-L654 WeakPolarHBondContact O-CG 3.22Å; E650-L654 PolarHBondContact O-N 2.59Å; E650-V722 HydrophobicContact CB-CG1 3.55Å; E650-V722 HydrophobicContact CG-CG1 4.17Å
651	R	85.9	Confident	75.1	Confident	99 Å²	99	86.2 Å²	86.2	37%	0.374	41%	0.414	S	S	.	.	H	α-helix	trans	-58.3	-34.7	169.5	-72.7	-179.3	-171.1	112.1	2.6	111.6	E647 K655 V722	E647-R651 VanDerWaalsContact O-CB 3.27Å; E647-R651 WeakPolarHBondContact O-CB 3.35Å; E647-R651 VanDerWaalsContact O-CG 3.23Å; E647-R651 WeakPolarHBondContact O-CG 3.38Å; E647-R651 PolarHBondContact O-N 3.08Å; E647-R651 IonicContact OE2-CZ 2.74Å; E647-R651 IonicContact OE2-NH1 2.66Å; E647-R651 PolarHBondContact OE2-NH1 3.48Å; E647-R651 IonicContact OE2-NH2 3.05Å; E647-R651 PolarHBondContact OE2-NH2 3.3Å; R651-K655 WeakPolarHBondContact O-CB 3.48Å; R651-K655 WeakPolarHBondContact O-CD 3.47Å; R651-K655 WeakPolarHBondContact O-CG 3.5Å; R651-K655 PolarHBondContact O-N 2.99Å; R651-K655 VanDerWaalsContact O-N 3.16Å; R651-V722 HydrophobicContact CG-CG2 3.94Å
652	A	84.1	Confident	72.3	Confident	49 Å²	49	95.6 Å²	95.6	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-68.3	-47.1	173.1	0	0	0	0	0	111.7	K648 K649 E650 L654 K655 T656	K648-A652 WeakPolarHBondContact O-CB 3.38Å; K648-A652 PolarHBondContact O-N 3.1Å; K648-A652 VanDerWaalsContact O-N 3.12Å; K649-A652 WeakPolarHBondContact O-CB 3.49Å; K649-A652 PolarHBondContact O-N 2.87Å; E650-A652 PolarHBondContact O-N 3.06Å; A652-L654 PolarHBondContact O-N 3.1Å; A652-K655 PolarHBondContact O-N 2.92Å; A652-T656 PolarHBondContact O-N 3.38Å; A652-T656 PolarHBondContact O-OG1 3.41Å
653	R	83.7	Confident	69.4	Low	121 Å²	121	101.9 Å²	101.9	46%	0.457	49%	0.493	S	S	.	.	H	α-helix	trans	-56	-48.4	176	-170.5	-176.3	66.7	78.2	2.5	111.9	K649 E650 K655 T656 V657	K649-R653 PolarHBondContact O-N 2.9Å; E650-R653 VanDerWaalsContact CD-NE 3.27Å; E650-R653 WeakPolarHBondContact O-CB 3.07Å; E650-R653 PolarHBondContact O-N 2.85Å; E650-R653 VanDerWaalsContact O-N 3.12Å; E650-R653 WeakPolarHBondContact OE1-CD 3.36Å; E650-R653 IonicContact OE1-CZ 2.73Å; E650-R653 IonicContact OE1-NE 2.73Å; E650-R653 PolarHBondContact OE1-NE 2.73Å; E650-R653 IonicContact OE2-CZ 3.91Å; E650-R653 IonicContact OE2-NE 3.29Å; E650-R653 PolarHBondContact OE2-NE 3.15Å; E650-R653 IonicContact OE2-NH2 2.76Å; E650-R653 PolarHBondContact OE2-NH2 3.24Å; R653-K655 VanDerWaalsContact C-N 3.32Å; R653-K655 PolarHBondContact O-N 2.91Å; R653-T656 PolarHBondContact O-N 3.41Å; R653-V657 HydrophobicContact CG-CG2 4.43Å; R653-V657 VanDerWaalsContact O-CG2 3.3Å; R653-V657 WeakPolarHBondContact O-CG2 3.38Å; R653-V657 PolarHBondContact O-N 3.25Å
654	L	76.6	Confident	66.6	Low	39 Å²	39	111.3 Å²	111.3	20%	0.204	53%	0.528	C	S	.	.	H	α-helix	trans	-62.9	-36	178.8	-69.1	165.3	0	0	0	112.3	E650 A652 K658 E720	E650-L654 WeakPolarHBondContact O-CB 3.34Å; E650-L654 WeakPolarHBondContact O-CG 3.22Å; E650-L654 PolarHBondContact O-N 2.59Å; A652-L654 PolarHBondContact O-N 3.1Å; L654-K658 WeakPolarHBondContact O-CD 3.43Å; L654-K658 WeakPolarHBondContact O-CG 3.33Å; L654-E720 HydrophobicContact CD1-CG 4.12Å
655	K	75.8	Confident	63.8	Low	153 Å²	153	107.8 Å²	107.8	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-66.9	-42.4	172.3	-75.2	172.5	-177.6	-174.4	0	112.5	R651 A652 R653	R651-K655 WeakPolarHBondContact O-CB 3.48Å; R651-K655 WeakPolarHBondContact O-CD 3.47Å; R651-K655 WeakPolarHBondContact O-CG 3.5Å; R651-K655 PolarHBondContact O-N 2.99Å; R651-K655 VanDerWaalsContact O-N 3.16Å; A652-K655 PolarHBondContact O-N 2.92Å; R653-K655 VanDerWaalsContact C-N 3.32Å; R653-K655 PolarHBondContact O-N 2.91Å
656	T	62.6	Low	61.1	Low	110 Å²	110	112.4 Å²	112.4	68%	0.675	57%	0.566	S	S	*	*	H	α-helix	trans	-68.4	-38	178.4	-56	0	0	0	0	112.7	A652 R653 K658 F659	A652-T656 PolarHBondContact O-N 3.38Å; A652-T656 PolarHBondContact O-OG1 3.41Å; R653-T656 PolarHBondContact O-N 3.41Å; T656-K658 VanDerWaalsContact C-N 3.27Å; T656-K658 PolarHBondContact O-N 3.35Å; T656-F659 PolarHBondContact O-N 3.34Å
657	V	53.8	Low	58.4	Low	93 Å²	93	121.5 Å²	121.5	56%	0.564	61%	0.605	S	S	*	*	H	α-helix	trans	-68	-24.3	-178.1	169.4	0	0	0	0	113	R653 F659	R653-V657 HydrophobicContact CG-CG2 4.43Å; R653-V657 VanDerWaalsContact O-CG2 3.3Å; R653-V657 WeakPolarHBondContact O-CG2 3.38Å; R653-V657 PolarHBondContact O-N 3.25Å; V657-F659 PolarHBondContact O-N 3Å
658	K	48.2	Very low	55.6	Low	126 Å²	126	123 Å²	123	55%	0.548	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	2.6	179.7	-73.8	166.8	-173.4	177.3	0	114.4	L654 T656 E720	L654-K658 WeakPolarHBondContact O-CD 3.43Å; L654-K658 WeakPolarHBondContact O-CG 3.33Å; T656-K658 VanDerWaalsContact C-N 3.27Å; T656-K658 PolarHBondContact O-N 3.35Å; K658-E720 IonicContact NZ-OE1 2.72Å; K658-E720 PolarHBondContact NZ-OE1 3.36Å; K658-E720 IonicContact NZ-OE2 3.86Å; K658-E720 PolarHBondContact NZ-OE2 2.85Å
659	F	36.7	Very low	52.8	Low	191 Å²	191	126.8 Å²	126.8	84%	0.838	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	22	-176.3	-115.6	-74.8	0	0	0	116.6	T656 V657	T656-F659 PolarHBondContact O-N 3.34Å; V657-F659 PolarHBondContact O-N 3Å
660	N	35.1	Very low	50.1	Low	151 Å²	151	126.4 Å²	126.4	81%	0.807	66%	0.66	S	S	*	*	S	Bend	trans	-149.9	22.4	172.2	-142.6	24.9	0	0	0	118.6
661	S	30.6	Very low	47.3	Very low	102 Å²	102	132.6 Å²	132.6	71%	0.713	69%	0.686	S	S	*	*			trans	-106.5	58	-173.9	65.6	0	0	0	0	114.9
662	K	35.5	Very low	44.6	Very low	201 Å²	201	134.4 Å²	134.4	87%	0.874	70%	0.703	S	S	*	*			trans	-171.8	79.8	161.5	-109.5	158.8	-172.8	172.6	0	113.7
663	T	32.3	Very low	42.2	Very low	133 Å²	133	137.8 Å²	137.8	82%	0.816	72%	0.715	S	S	*	*			trans	-165	148.9	150.2	2.7	0	0	0	0	112.9
664	R	32.2	Very low	39.8	Very low	244 Å²	244	139.3 Å²	139.3	92%	0.921	73%	0.725	S	S	*	*			trans	61.7	107.4	169.3	-67.2	-173.9	171	-164.7	-4.1	118.1
665	G	31.5	Very low	37.8	Very low	77 Å²	77	148.3 Å²	148.3	79%	0.794	76%	0.756	S	S	*	*			trans	-81.1	156.9	147.6	0	0	0	0	0	112.1
666	D	34.6	Very low	35.7	Very low	141 Å²	141	150.5 Å²	150.5	75%	0.754	77%	0.765	S	S	*	*			trans	-13.9	138.2	169.7	-178.1	51.3	0	0	0	121.2	G668	D666-G668 PolarHBondContact OD1-N 3.2Å
667	K	34	Very low	34.4	Very low	199 Å²	199	154.9 Å²	154.9	87%	0.865	78%	0.775	S	S	*	*				-166.1	115.2	118.4	-104.4	175.7	-174.8	-177.4	0	111.2
668	G	31.9	Very low	33.4	Very low	64 Å²	64	157.7 Å²	157.7	66%	0.66	79%	0.787	S	S	*	*			trans	-84.8	158.1	-174.6	0	0	0	0	0	116.7	D666	D666-G668 PolarHBondContact OD1-N 3.2Å
669	Q	30.9	Very low	32.4	Very low	206 Å²	206	159 Å²	159	96%	0.963	80%	0.799	S	S	*	*			trans	-158.7	156.4	156.5	-116.4	168.3	64.8	0	0	110.7
670	S	29.9	Very low	31.9	Very low	100 Å²	100	159 Å²	159	70%	0.699	80%	0.799	S	S	*	*			trans	-89.4	152.4	-172	-176.6	0	0	0	0	113.3
671	F	27.3	Very low	31.6	Very low	186 Å²	186	156.9 Å²	156.9	82%	0.816	80%	0.796	S	S	*	*				172.2	133.1	120.4	-104.2	-79.8	0	0	0	114.9
672	N	30	Very low	31.8	Very low	136 Å²	136	162.7 Å²	162.7	73%	0.727	80%	0.802	S	S	*	*			trans	19.9	119.9	151.1	-75.3	-13.3	0	0	0	124.5
673	D	33.3	Very low	31.5	Very low	121 Å²	121	162.7 Å²	162.7	65%	0.647	80%	0.802	S	S	*	*				81.9	154.7	111.5	-162.3	26.1	0	0	0	122.7
674	K	33.1	Very low	31.6	Very low	153 Å²	153	166.2 Å²	166.2	67%	0.665	81%	0.807	S	S	*	*			trans	74.4	99.5	163.3	-78.4	155.9	-174.7	111.7	0	122.1
675	R	34.3	Very low	31.6	Very low	227 Å²	227	160.3 Å²	160.3	86%	0.857	80%	0.8	S	S	*	*				53.4	114.6	124.2	-62.7	177	175.2	-178.6	-2	121
676	K	33	Very low	31.3	Very low	200 Å²	200	164.7 Å²	164.7	87%	0.87	80%	0.798	S	S	*	*				-175.3	118.9	125.5	-95	146.3	-173	177.3	0	108.5
677	K	34.8	Very low	31.1	Very low	201 Å²	201	165.4 Å²	165.4	87%	0.874	79%	0.791	S	S	*	*				70.9	122.9	83.9	-80.3	-161.4	173.5	-170	0	115.1
678	N	31.3	Very low	30.8	Very low	153 Å²	153	162.9 Å²	162.9	82%	0.818	78%	0.78	S	S	*	*			trans	-48.7	157.5	176	-37.9	-5.9	0	0	0	114.4
679	L	27.6	Very low	30.6	Very low	153 Å²	153	165.6 Å²	165.6	80%	0.801	78%	0.779	S	S	*	*			trans	-164.3	108.7	132.2	-110.4	135.4	0	0	0	115.2
680	F	27.2	Very low	30.4	Very low	190 Å²	190	163.6 Å²	163.6	83%	0.833	77%	0.767	S	S	*	*			trans	58.4	171.2	140.9	-74.3	-108.6	0	0	0	119.4
681	S	29	Very low	30.5	Very low	107 Å²	107	163.7 Å²	163.7	75%	0.748	76%	0.76	S	S	*	*			cis	-144.1	164.7	-8.1	-169.3	0	0	0	0	111.1
682	R	33.8	Very low	30.6	Very low	225 Å²	225	162.5 Å²	162.5	85%	0.849	76%	0.757	S	S	*	*			trans	-79.6	161.4	158.9	-60.9	175.3	178.9	169.1	-1.9	111.8
683	K	28.5	Very low	30.6	Very low	201 Å²	201	160.1 Å²	160.1	87%	0.874	75%	0.751	S	S	*	*			trans	123.2	125.9	142.7	-69.6	178	176	-178.6	0	116.7
684	F	36.1	Very low	30.5	Very low	206 Å²	206	162 Å²	162	90%	0.904	76%	0.756	S	S	*	*			trans	-72.6	160.1	154.4	-79.3	-93	0	0	0	111.1
685	P	31.8	Very low	30.2	Very low	121 Å²	121	162.3 Å²	162.3	79%	0.786	76%	0.76	S	S	*	*				-144.5	123.2	123.5	34.2	-17.7	0	0	0	116.2
686	F	25.9	Very low	29.8	Very low	169 Å²	169	158.7 Å²	158.7	74%	0.741	75%	0.753	S	S	*	*			trans	28.8	127.4	131.6	-120.7	-134.7	0	0	0	123.4
687	Y	29.5	Very low	29.7	Very low	155 Å²	155	156.4 Å²	156.4	61%	0.608	76%	0.756	S	S	*	*				96.4	120.4	121.3	-111.2	-145.5	0	0	0	124.1
688	K	28.4	Very low	29.2	Very low	147 Å²	147	151.3 Å²	151.3	64%	0.639	75%	0.745	S	S	*	*			trans	66.5	155.2	139.7	-76.1	-173.8	178.7	173.3	0	118.2
689	N	26.2	Very low	28.9	Very low	121 Å²	121	151.6 Å²	151.6	65%	0.647	75%	0.747	S	S	*	*			cis	-160.6	157	13.8	-137.5	11.1	0	0	0	112.1
690	K	28.1	Very low	28.9	Very low	164 Å²	164	148.3 Å²	148.3	71%	0.713	74%	0.742	S	S	*	*			trans	67.8	140.2	130.5	-151.3	157.4	-177.9	179	0	118.8
691	D	30.6	Very low	29	Very low	102 Å²	102	146.2 Å²	146.2	55%	0.545	74%	0.739	S	S	.	*			cis	-157.5	169	4.4	-131.4	-5.1	0	0	0	112.8
692	Q	30.3	Very low	28.9	Very low	160 Å²	160	150.1 Å²	150.1	75%	0.748	75%	0.746	S	S	*	*			trans	37.7	154.6	139	-74.1	171.3	-6.6	0	0	122.8
693	S	29.1	Very low	28.5	Very low	87 Å²	87	147.2 Å²	147.2	61%	0.608	74%	0.741	S	S	*	*			cis	-154.2	161.4	7.8	47.8	0	0	0	0	112.9
694	E	31.4	Very low	28.5	Very low	161 Å²	161	144.3 Å²	144.3	75%	0.752	74%	0.74	S	S	*	*			trans	44.6	152.8	134.1	-64.3	145.3	-156.2	0	0	121.6
695	Q	27.7	Very low	28.1	Very low	159 Å²	159	139.7 Å²	139.7	74%	0.743	73%	0.729	S	S	*	*			cis	-148.6	176.4	9.5	-156.4	152.3	-5.7	0	0	113.8
696	E	26.1	Very low	27.8	Very low	150 Å²	150	138.8 Å²	138.8	70%	0.701	73%	0.726	S	S	*	*			trans	-59.5	158	-179	-53.8	140.7	116.9	0	0	116.7
697	T	29.4	Very low	27.9	Very low	153 Å²	153	138.4 Å²	138.4	94%	0.939	73%	0.732	S	S	*	*				-166.3	165.3	129.8	10.1	0	0	0	0	112
698	S	25.2	Very low	27.8	Very low	93 Å²	93	135.8 Å²	135.8	65%	0.65	74%	0.742	S	S	*	*			trans	-108.1	155.6	-159.2	53.9	0	0	0	0	115.8
699	D	25.1	Very low	27.9	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	74%	0.743	S	S	*	*			trans	47.1	148.9	144.2	-48.5	-30.4	0	0	0	120.6
700	A	28.4	Very low	28.1	Very low	85 Å²	85	135.7 Å²	135.7	70%	0.702	76%	0.756	S	S	*	*			cis	-156.6	162.1	22.9	0	0	0	0	0	113.8
701	D	27.7	Very low	28	Very low	146 Å²	146	132.5 Å²	132.5	78%	0.781	75%	0.754	S	S	*	*			trans	30.7	121.2	151.2	-63.5	-34.3	0	0	0	122.6
702	Q	27.5	Very low	28.3	Very low	188 Å²	188	137.1 Å²	137.1	88%	0.879	77%	0.772	S	S	*	*				-167.6	107.3	97.8	-101.7	176.3	29.8	0	0	115.1
703	H	25.6	Very low	28.3	Very low	164 Å²	164	134.1 Å²	134.1	76%	0.759	77%	0.769	S	S	*	*				45.1	97.7	124.6	-152.9	-78.8	0	0	0	121.5
704	V	28.4	Very low	28.4	Very low	141 Å²	141	135.3 Å²	135.3	86%	0.855	78%	0.778	S	S	*	*			trans	-149.2	139.2	130.1	168	0	0	0	0	108.8
705	T	26.9	Very low	28.3	Very low	108 Å²	108	138.5 Å²	138.5	66%	0.663	78%	0.784	S	S	*	*			trans	-107.6	174.6	179.2	52.2	0	0	0	0	113.2
706	S	26.6	Very low	28.5	Very low	102 Å²	102	143 Å²	143	71%	0.713	79%	0.794	S	S	*	*			trans	84.6	111.8	160.3	72	0	0	0	0	120.1
707	N	26.8	Very low	28.8	Very low	162 Å²	162	138.8 Å²	138.8	87%	0.866	79%	0.792	S	S	*	*				32.7	110.2	120.6	-53.7	4.5	0	0	0	119.1
708	A	27.6	Very low	28.9	Very low	99 Å²	99	140.8 Å²	140.8	82%	0.818	79%	0.79	S	S	*	*				-118	133.4	126.4	0	0	0	0	0	106.5
709	S	31.6	Very low	29.8	Very low	97 Å²	97	144.6 Å²	144.6	68%	0.678	80%	0.798	S	S	*	*			cis	74.1	48.6	35.3	-160	0	0	0	0	114.1	S711	S709-S711 PolarHBondContact O-N 3.11Å; S709-S711 VanDerWaalsContact O-N 3.1Å
710	D	29.7	Very low	31.3	Very low	170 Å²	170	141.4 Å²	141.4	91%	0.909	78%	0.778	S	S	*	*			trans	-66.1	100.7	157.7	-90.8	-32.2	0	0	0	109.3	E712	D710-E712 PolarHBondContact O-N 3.05Å
711	S	27.4	Very low	33.1	Very low	97 Å²	97	144.6 Å²	144.6	68%	0.678	77%	0.772	S	S	*	*			trans	-79	97.7	177.4	-63.7	0	0	0	0	110.8	S709 S713	S709-S711 PolarHBondContact O-N 3.11Å; S709-S711 VanDerWaalsContact O-N 3.1Å; S711-S713 PolarHBondContact O-N 2.66Å; S711-S713 VanDerWaalsContact O-N 3.12Å
712	E	36.5	Very low	35.7	Very low	198 Å²	198	138.2 Å²	138.2	93%	0.925	74%	0.739	S	S	*	*			trans	-54.8	115.6	167.7	-76.8	-162.2	113.3	0	0	111.4	D710	D710-E712 PolarHBondContact O-N 3.05Å
713	S	29.6	Very low	38.6	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	71%	0.712	S	S	*	*			trans	-163.3	161.3	158.5	48.1	0	0	0	0	111.8	S711 Y715	S711-S713 PolarHBondContact O-N 2.66Å; S711-S713 VanDerWaalsContact O-N 3.12Å; S713-Y715 PolarHBondContact O-N 2.81Å
714	S	30.9	Very low	41.8	Very low	113 Å²	113	124.4 Å²	124.4	79%	0.79	68%	0.676	S	S	*	*	S	Bend	trans	72.4	2.4	167.9	-52.8	0	0	0	0	119.5
715	Y	30.7	Very low	44.9	Very low	227 Å²	227	117.9 Å²	117.9	89%	0.89	64%	0.637	S	S	*	*			trans	-131.8	86.8	153.3	-75.1	-80.5	0	0	0	110.9	S713 G717	S713-Y715 PolarHBondContact O-N 2.81Å; Y715-G717 PolarHBondContact O-N 2.94Å
716	R	31.4	Very low	48.1	Very low	254 Å²	254	114.2 Å²	114.2	96%	0.958	61%	0.612	S	S	*	*			trans	-67.8	89.4	156.3	-92.9	-164.1	175.1	-148.3	0.9	107.7
717	G	31.1	Very low	51.3	Low	62 Å²	62	110.7 Å²	110.7	64%	0.639	59%	0.586	S	S	*	*			trans	-57	145	167	0	0	0	0	0	109.7	Y715 E719	Y715-G717 PolarHBondContact O-N 2.94Å; G717-E719 PolarHBondContact O-N 2.85Å; G717-E719 VanDerWaalsContact O-N 3.14Å
718	Q	33.3	Very low	54.5	Low	195 Å²	195	103 Å²	103	91%	0.911	55%	0.546	S	S	*	.			trans	-60.7	115.4	153.7	-68.8	174.6	-52.8	0	0	106.3	E720	Q718-E720 PolarHBondContact O-N 2.96Å; Q718-E720 VanDerWaalsContact O-N 3.12Å
719	E	43.9	Very low	57.6	Low	173 Å²	173	102.9 Å²	102.9	81%	0.808	53%	0.531	S	S	*	.			trans	-53.9	120	152.1	-69.7	-167.7	107.7	0	0	105.9	G717 Y721	G717-E719 PolarHBondContact O-N 2.85Å; G717-E719 VanDerWaalsContact O-N 3.14Å; E719-Y721 VanDerWaalsContact C-N 3.35Å; E719-Y721 PolarHBondContact O-N 3.25Å
720	E	55.5	Low	60.5	Low	92 Å²	92	103.5 Å²	103.5	43%	0.43	52%	0.523	S	S	.	.			trans	-59.3	95.7	-171.6	-167.6	167.8	-156.4	0	0	108.5	L654 K658 Q718 V722	L654-E720 HydrophobicContact CD1-CG 4.12Å; K658-E720 IonicContact NZ-OE1 2.72Å; K658-E720 PolarHBondContact NZ-OE1 3.36Å; K658-E720 IonicContact NZ-OE2 3.86Å; K658-E720 PolarHBondContact NZ-OE2 2.85Å; Q718-E720 PolarHBondContact O-N 2.96Å; Q718-E720 VanDerWaalsContact O-N 3.12Å; E720-V722 VanDerWaalsContact O-CG2 3.22Å; E720-V722 WeakPolarHBondContact O-CG2 3.23Å; E720-V722 PolarHBondContact O-N 3.42Å
721	Y	66.7	Low	63.6	Low	151 Å²	151	98.8 Å²	98.8	59%	0.592	50%	0.496	S	S	*	.			trans	-65.8	124.5	-162.1	-178.8	-87.2	0	0	0	110.1	E719 L723 E888	E719-Y721 VanDerWaalsContact C-N 3.35Å; E719-Y721 PolarHBondContact O-N 3.25Å; Y721-L723 HydrophobicContact CE1-CD2 4.42Å; Y721-E888 WeakPolarHBondContact CE1-OE2 3.45Å
722	V	82.6	Confident	66.8	Low	13 Å²	13	100.6 Å²	100.6	8%	0.079	49%	0.493	C	S	.	.			trans	-104.3	110.7	-172	-172.7	0	0	0	0	110.6	E647 E650 R651 E720 S724	E647-V722 HydrophobicContact CB-CB 4.39Å; E647-V722 HydrophobicContact CB-CG1 4.43Å; E647-V722 HydrophobicContact CG-CB 4.19Å; E647-V722 HydrophobicContact CG-CG1 4.41Å; E650-V722 HydrophobicContact CB-CG1 3.55Å; E650-V722 HydrophobicContact CG-CG1 4.17Å; R651-V722 HydrophobicContact CG-CG2 3.94Å; E720-V722 VanDerWaalsContact O-CG2 3.22Å; E720-V722 WeakPolarHBondContact O-CG2 3.23Å; E720-V722 PolarHBondContact O-N 3.42Å; V722-S724 PolarHBondContact O-N 2.96Å; V722-S724 PolarHBondContact O-OG 2.82Å
723	L	88.1	Confident	69.6	Low	59 Å²	59	91.9 Å²	91.9	31%	0.309	45%	0.454	S	S	.	.			trans	-50.3	119.9	167.7	-60.7	173.5	0	0	0	109.8	L588 Y721 T887 E888	L588-L723 HydrophobicContact CB-CB 4.13Å; L588-L723 HydrophobicContact CB-CD2 4.28Å; L588-L723 HydrophobicContact CD1-CD2 4.22Å; Y721-L723 HydrophobicContact CE1-CD2 4.42Å; L723-T887 HydrophobicContact CD1-CG2 3.52Å; L723-T887 HydrophobicContact CD2-CG2 3.98Å; L723-T887 HydrophobicContact CG-CG2 4.41Å; L723-E888 HydrophobicContact CD2-CB 4.28Å
724	S	92.6	Very high	72.7	Confident	2 Å²	2	94.9 Å²	94.9	1%	0.014	46%	0.462	C	S	.	.			trans	-149.4	-93.2	-177.6	51.1	0	0	0	0	109.5	L588 F589 V722	L588-S724 PolarHBondContact N-O 3.25Å; F589-S724 WeakPolarHBondContact CD1-O 3.09Å; F589-S724 VanDerWaalsContact CE1-O 3.3Å; F589-S724 WeakPolarHBondContact CE1-O 3.17Å; V722-S724 PolarHBondContact O-N 2.96Å; V722-S724 PolarHBondContact O-OG 2.82Å
725	Y	93.9	Very high	75.8	Confident	4 Å²	4	91.3 Å²	91.3	2%	0.016	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.1	178.1	-57.6	-74	0	0	0	110.3	V585 F589 F606 L612 W623 I640 P641 K643 V646 L926	V585-Y725 HydrophobicContact CB-CD1 4.4Å; V585-Y725 HydrophobicContact CG2-CD1 3.7Å; V585-Y725 HydrophobicContact CG2-CE1 4.39Å; V585-Y725 HydrophobicContact CG2-CG 4.2Å; F589-Y725 HydrophobicContact CE1-CD1 4.3Å; F589-Y725 AromaticContact CE1-CE1 3.84Å; F589-Y725 HydrophobicContact CE1-CE1 3.84Å; F589-Y725 HydrophobicContact CE1-CE2 4.18Å; F589-Y725 AromaticContact CE1-CZ 3.8Å; F589-Y725 HydrophobicContact CZ-CE1 4.19Å; F589-Y725 HydrophobicContact CZ-CE2 4.38Å; F589-Y725 AromaticContact CZ-CZ 3.84Å; F606-Y725 HydrophobicContact CE2-CE1 4.12Å; F606-Y725 AromaticContact CZ-CE1 3.8Å; F606-Y725 HydrophobicContact CZ-CE1 3.8Å; F606-Y725 AromaticContact CZ-CZ 3.99Å; F606-Y725 WeakPolarHBondContact CZ-OH 3.27Å; L612-Y725 HydrophobicContact CD1-CE1 4.15Å; W623-Y725 HydrophobicContact CE3-CE2 4.36Å; W623-Y725 AromaticContact CZ3-CD2 3.86Å; W623-Y725 HydrophobicContact CZ3-CD2 3.86Å; W623-Y725 HydrophobicContact CZ3-CE2 4.15Å; W623-Y725 HydrophobicContact CZ3-CG 4.44Å; I640-Y725 HydrophobicContact CD1-CE1 4.2Å; P641-Y725 WeakPolarHBondContact O-CE2 3.4Å; P641-Y725 PolarHBondContact O-OH 2.86Å; K643-Y725 HydrophobicContact CB-CD2 3.97Å; V646-Y725 HydrophobicContact CG2-CE2 4.07Å; Y725-L926 WeakPolarHBondContact O-CD1 3.48Å
726	E	93.1	Very high	79	Confident	32 Å²	32	82.1 Å²	82.1	15%	0.15	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.3	169.9	-179.5	-167.3	-122	0	0	108.4	V585 R586 L588 P921	V585-E726 CarbonylContact C-O 3.59Å; V585-E726 WeakPolarHBondContact CA-O 3.45Å; V585-E726 WeakPolarHBondContact CB-O 2.79Å; R586-E726 HydrophobicContact CB-CB 4.49Å; R586-E726 IonicContact CZ-OE2 2.76Å; R586-E726 PolarHBondContact N-O 3.42Å; R586-E726 IonicContact NE-OE2 2.79Å; R586-E726 PolarHBondContact NE-OE2 2.9Å; R586-E726 VanDerWaalsContact NH2-CD 3.34Å; R586-E726 IonicContact NH2-OE1 3.86Å; R586-E726 PolarHBondContact NH2-OE1 3.04Å; R586-E726 IonicContact NH2-OE2 3.52Å; R586-E726 PolarHBondContact NH2-OE2 3.18Å; R586-E726 PolarHBondContact O-N 3.44Å; L588-E726 HydrophobicContact CD1-CB 4.22Å; L588-E726 HydrophobicContact CG-CB 4.42Å; E726-P921 HydrophobicContact CG-CB 4.42Å; E726-P921 WeakPolarHBondContact OE1-CG 3.29Å
727	P	93.6	Very high	82.1	Confident	27 Å²	27	70.7 Å²	70.7	18%	0.175	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.4	173.3	29.5	-30.2	0	0	0	109.8	A922 E924 L926	P727-A922 HydrophobicContact CB-CB 4.08Å; P727-A922 HydrophobicContact CG-CB 4.34Å; P727-A922 WeakPolarHBondContact O-CB 3.45Å; P727-A922 PolarHBondContact O-N 3.01Å; P727-E924 WeakPolarHBondContact CG-O 3.37Å; P727-L926 HydrophobicContact CB-CD1 4.27Å; P727-L926 HydrophobicContact CB-CD2 4.34Å; P727-L926 HydrophobicContact CB-CG 3.91Å; P727-L926 HydrophobicContact CG-CD1 4.37Å; P727-L926 HydrophobicContact CG-CG 4.01Å
728	V	94.1	Very high	85.3	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.5	-178.4	-68.1	0	0	0	0	111.8	Y584 R586 I611 W919 V920	Y584-V728 PolarHBondContact O-N 3.16Å; R586-V728 HydrophobicContact CB-CG1 3.76Å; I611-V728 HydrophobicContact CD1-CG2 4.38Å; I611-V728 HydrophobicContact CG2-CG2 4.41Å; V728-W919 HydrophobicContact CB-CB 4.44Å; V728-W919 HydrophobicContact CB-CE3 4.23Å; V728-W919 HydrophobicContact CG2-CD2 4.43Å; V728-W919 HydrophobicContact CG2-CE3 3.7Å; V728-W919 HydrophobicContact CG2-CZ3 4.36Å; V728-V920 CarbonylContact C-O 3.56Å; V728-V920 VanDerWaalsContact CA-O 3.25Å; V728-V920 WeakPolarHBondContact CA-O 3.3Å; V728-V920 WeakPolarHBondContact CB-O 3.44Å
729	N	93.4	Very high	88.4	Confident	96 Å²	96	58.5 Å²	58.5	51%	0.513	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.2	169.6	-70.8	-13.5	0	0	0	109.2	V920	N729-V920 PolarHBondContact N-O 3.43Å; N729-V920 PolarHBondContact O-N 3.27Å
730	Q	93.3	Very high	91	Very high	110 Å²	110	50.2 Å²	50.2	51%	0.514	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138.9	169.8	-155	177.8	32.2	0	0	109.7	I918 W919	Q730-I918 CarbonylContact C-O 3.58Å; Q730-I918 WeakPolarHBondContact CA-O 3.45Å; Q730-W919 HydrophobicContact CB-CD2 4.36Å; Q730-W919 HydrophobicContact CB-CE3 4.02Å; Q730-W919 HydrophobicContact CB-CH2 3.83Å; Q730-W919 HydrophobicContact CB-CZ2 4.16Å; Q730-W919 HydrophobicContact CB-CZ3 3.76Å; Q730-W919 HydrophobicContact CG-CD2 4.35Å; Q730-W919 HydrophobicContact CG-CH2 4.21Å; Q730-W919 HydrophobicContact CG-CZ2 4.01Å; Q730-W919 HydrophobicContact CG-CZ3 4.45Å
731	Q	94	Very high	93.1	Very high	72 Å²	72	46 Å²	46	34%	0.336	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137	178.2	175.1	172.8	-12	0	0	110	V733 Y917 I918 V920	Q731-V733 HydrophobicContact CG-CG1 4.44Å; Q731-Y917 WeakPolarHBondContact O-CA 3.25Å; Q731-I918 HydrophobicContact CB-CG1 4.32Å; Q731-I918 PolarHBondContact N-O 3.36Å; Q731-I918 WeakPolarHBondContact O-CG1 3.37Å; Q731-I918 PolarHBondContact O-N 3.44Å; Q731-V920 HydrophobicContact CB-CG2 4.15Å
732	E	94.9	Very high	94.6	Very high	134 Å²	134	39.1 Å²	39.1	63%	0.626	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81	136.5	169.8	-167.3	177	172.6	0	0	110.5	P916 Y917	E732-P916 CarbonylContact C-O 3.51Å; E732-P916 WeakPolarHBondContact CA-O 3.49Å; E732-Y917 HydrophobicContact CB-CD1 3.94Å; E732-Y917 HydrophobicContact CB-CE1 3.79Å; E732-Y917 HydrophobicContact CG-CD1 4.15Å; E732-Y917 HydrophobicContact CG-CE1 3.75Å
733	V	94.5	Very high	95.2	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.091	20%	0.202	C	C	.	.			trans	-129.6	143.5	176	-68.7	0	0	0	0	111.9	Q731 Y735 P916 I918	Q731-V733 HydrophobicContact CG-CG1 4.44Å; V733-Y735 HydrophobicContact CB-CD1 4.07Å; V733-Y735 HydrophobicContact CB-CE1 3.68Å; V733-Y735 HydrophobicContact CG1-CE1 3.66Å; V733-P916 WeakPolarHBondContact CG2-O 3.43Å; V733-P916 PolarHBondContact N-O 3.33Å; V733-I918 HydrophobicContact CG1-CD1 3.58Å; V733-I918 HydrophobicContact CG1-CG1 3.92Å; V733-I918 HydrophobicContact CG2-CD1 4.2Å; V733-I918 HydrophobicContact CG2-CG1 4.14Å; V733-I918 HydrophobicContact CG2-CG2 3.74Å
734	N	94.8	Very high	95.6	Very high	161 Å²	161	36.7 Å²	36.7	86%	0.861	19%	0.188	S	C	*	.	S	Bend	trans	-106.7	23.2	-175.5	65.8	-21.8	0	0	0	113.2
735	Y	95.6	Very high	95.7	Very high	38 Å²	38	37.8 Å²	37.8	15%	0.149	19%	0.194	C	C	.	.	S	Bend	trans	-140.9	152.9	-178.1	66.7	-96.1	0	0	0	110.4	V733 R737 A822 Q844 L845	V733-Y735 HydrophobicContact CB-CD1 4.07Å; V733-Y735 HydrophobicContact CB-CE1 3.68Å; V733-Y735 HydrophobicContact CG1-CE1 3.66Å; Y735-R737 HydrophobicContact CE2-CG 4.4Å; Y735-R737 PolarHBondContact O-N 3.16Å; Y735-A822 HydrophobicContact CD2-CB 4.12Å; Y735-Q844 PolarHBondContact OH-O 3.05Å; Y735-L845 HydrophobicContact CD2-CD2 4.28Å; Y735-L845 HydrophobicContact CE2-CD2 4.2Å; Y735-L845 VanDerWaalsContact CE2-O 3.27Å; Y735-L845 WeakPolarHBondContact CE2-O 3.17Å; Y735-L845 WeakPolarHBondContact OH-CA 3.16Å; Y735-L845 PolarHBondContact OH-O 3.26Å; Y735-L845 VanDerWaalsContact OH-O 3.1Å
736	T	97.6	Very high	95.8	Very high	33 Å²	33	39.3 Å²	39.3	20%	0.202	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-80.4	121.7	177.5	-55.6	0	0	0	0	110.7	A822 G825 K826 H827	T736-A822 PolarHBondContact N-O 2.63Å; T736-A822 VanDerWaalsContact N-O 3.09Å; T736-A822 WeakPolarHBondContact O-CA 3.22Å; T736-A822 WeakPolarHBondContact O-CB 3.43Å; T736-G825 VanDerWaalsContact OG1-CA 3.23Å; T736-G825 WeakPolarHBondContact OG1-CA 3.24Å; T736-G825 PolarHBondContact OG1-O 3.39Å; T736-K826 VanDerWaalsContact CG2-C 3.47Å; T736-H827 HydrophobicContact CG2-CB 4.3Å; T736-H827 VanDerWaalsContact CG2-CE1 3.46Å; T736-H827 WeakPolarHBondContact CG2-CE1 3.48Å; T736-H827 WeakPolarHBondContact CG2-ND1 3.41Å
737	R	97.8	Very high	95.9	Very high	15 Å²	15	40.8 Å²	40.8	6%	0.057	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-58.8	135.7	-173	-62.1	169.9	76.1	-178.7	-3.7	112.4	Y735 H827 Y846 P847 I848 Q913 I918	Y735-R737 HydrophobicContact CE2-CG 4.4Å; Y735-R737 PolarHBondContact O-N 3.16Å; R737-H827 PolarHBondContact O-ND1 3.04Å; R737-Y846 PolarHBondContact NE-O 3.12Å; R737-P847 PolarHBondContact NH2-O 2.97Å; R737-I848 HydrophobicContact CB-CD1 4.1Å; R737-I848 HydrophobicContact CB-CG1 3.93Å; R737-Q913 VanDerWaalsContact CD-O 3.26Å; R737-Q913 WeakPolarHBondContact CD-O 3.49Å; R737-Q913 PolarHBondContact NH1-O 2.91Å; R737-I918 HydrophobicContact CG-CG2 4.44Å
738	P	98.3	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-65.6	153.2	169.3	27.7	-30.9	0	0	0	111	V818 C828 L830 L840 L845 P847 I848	P738-V818 HydrophobicContact CB-CG1 3.68Å; P738-V818 HydrophobicContact CG-CG1 4.07Å; P738-C828 CarbonylContact C-O 3.58Å; P738-C828 WeakPolarHBondContact CA-O 3.32Å; P738-C828 HydrophobicContact CB-CB 4.05Å; P738-L830 HydrophobicContact CB-CD1 3.98Å; P738-L840 HydrophobicContact CG-CD1 4.33Å; P738-L840 HydrophobicContact CG-CD2 4.36Å; P738-L845 VanDerWaalsContact CD-O 3.23Å; P738-L845 WeakPolarHBondContact CD-O 3.26Å; P738-L845 HydrophobicContact CG-CB 4.27Å; P738-P847 HydrophobicContact CG-CB 4.09Å; P738-P847 CarbonylContact O-C 3.48Å; P738-P847 WeakPolarHBondContact O-CA 3.39Å; P738-P847 WeakPolarHBondContact O-CB 3.27Å; P738-I848 PolarHBondContact O-N 3.19Å
739	V	98.6	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.3	-175.9	175.2	0	0	0	0	109.3	I741 H827 C828 I829 L830 I848 I910	V739-I741 HydrophobicContact CG1-CD1 4.39Å; V739-I741 HydrophobicContact CG1-CG1 4.01Å; V739-H827 HydrophobicContact CG2-CB 3.92Å; V739-C828 PolarHBondContact N-O 2.96Å; V739-I829 HydrophobicContact CB-CD1 3.93Å; V739-I829 HydrophobicContact CG1-CD1 3.85Å; V739-L830 PolarHBondContact O-N 2.99Å; V739-I848 WeakPolarHBondContact CA-O 3.24Å; V739-I848 HydrophobicContact CG2-CB 4.26Å; V739-I848 HydrophobicContact CG2-CD1 4.27Å; V739-I910 HydrophobicContact CG1-CD1 3.86Å; V739-I910 HydrophobicContact CG1-CG1 4.24Å; V739-I910 HydrophobicContact CG2-CD1 4.39Å; V739-I910 HydrophobicContact CG2-CG1 4.32Å; V739-I910 HydrophobicContact CG2-CG2 4.33Å
740	I	98.5	Very high	96.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.9	174	-71.7	170.9	0	0	0	107.8	L742 L830 V832 A836 I837 L840 P847 I848 S849 V850	I740-L742 HydrophobicContact CG2-CD1 4.12Å; I740-L742 HydrophobicContact CG2-CD2 4.35Å; I740-L742 HydrophobicContact CG2-CG 3.89Å; I740-L830 HydrophobicContact CD1-CD1 4.32Å; I740-L830 HydrophobicContact CG1-CB 3.91Å; I740-L830 HydrophobicContact CG1-CD1 4.09Å; I740-V832 HydrophobicContact CD1-CG2 3.75Å; I740-V832 HydrophobicContact CG1-CG2 3.86Å; I740-V832 HydrophobicContact CG2-CG2 4.49Å; I740-A836 HydrophobicContact CD1-CB 4.31Å; I740-I837 HydrophobicContact CD1-CG1 3.83Å; I740-I837 HydrophobicContact CG2-CG1 4.38Å; I740-L840 HydrophobicContact CD1-CD1 3.65Å; I740-P847 HydrophobicContact CD1-CB 4.37Å; I740-P847 HydrophobicContact CD1-CG 4.5Å; I740-I848 PolarHBondContact N-O 2.93Å; I740-S849 CarbonylContact O-C 3.49Å; I740-S849 WeakPolarHBondContact O-CA 3.43Å; I740-V850 PolarHBondContact O-N 3.19Å
741	I	98.6	Very high	96.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.3	175.7	-55.7	-177.7	0	0	0	108.8	V739 K746 V749 N750 L753 V850 I852 V906	V739-I741 HydrophobicContact CG1-CD1 4.39Å; V739-I741 HydrophobicContact CG1-CG1 4.01Å; I741-K746 HydrophobicContact CB-CB 4.25Å; I741-K746 HydrophobicContact CG2-CB 3.79Å; I741-K746 WeakPolarHBondContact O-CB 3.38Å; I741-K746 VanDerWaalsContact O-CD 3.27Å; I741-K746 WeakPolarHBondContact O-CD 3.42Å; I741-V749 HydrophobicContact CD1-CB 4.32Å; I741-V749 HydrophobicContact CD1-CG1 3.65Å; I741-N750 WeakPolarHBondContact CD1-OD1 3.28Å; I741-L753 HydrophobicContact CD1-CD1 3.84Å; I741-V850 WeakPolarHBondContact CA-O 3.5Å; I741-I852 HydrophobicContact CG2-CD1 3.63Å; I741-I852 HydrophobicContact CG2-CG1 4.12Å; I741-V906 HydrophobicContact CD1-CG1 3.7Å
742	L	98.1	Very high	96.7	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.5	-178.1	-67.6	169.9	0	0	0	110.9	I740 I837 V850 F851 I852 F890	I740-L742 HydrophobicContact CG2-CD1 4.12Å; I740-L742 HydrophobicContact CG2-CD2 4.35Å; I740-L742 HydrophobicContact CG2-CG 3.89Å; L742-I837 HydrophobicContact CD1-CD1 4.07Å; L742-V850 PolarHBondContact N-O 2.95Å; L742-F851 HydrophobicContact CB-CD2 4.09Å; L742-I852 PolarHBondContact O-N 3.22Å; L742-F890 HydrophobicContact CD1-CE1 3.83Å
743	G	96.8	Very high	96.9	Very high	17 Å²	17	32.5 Å²	32.5	18%	0.175	16%	0.164	C	C	.	.	S	Bend	trans	103.2	-167.2	-178.8	0	0	0	0	0	113.7
744	P	95.7	Very high	97	Very high	3 Å²	3	34 Å²	34	2%	0.019	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	150.9	178.7	-16.4	31.1	0	0	0	111.8	K746 I852 P854 I860 T875 A879	P744-K746 PolarHBondContact O-N 3.5Å; P744-I852 WeakPolarHBondContact CD-O 3.4Å; P744-I852 WeakPolarHBondContact O-CD1 3.48Å; P744-P854 HydrophobicContact CG-CB 4.12Å; P744-P854 HydrophobicContact CG-CG 3.99Å; P744-I860 HydrophobicContact CB-CG1 4.42Å; P744-I860 HydrophobicContact CG-CD1 4.08Å; P744-I860 HydrophobicContact CG-CG1 4.21Å; P744-T875 HydrophobicContact CB-CG2 4Å; P744-T875 HydrophobicContact CG-CG2 4.03Å; P744-A879 HydrophobicContact CG-CB 4.42Å
745	M	94.5	Very high	97.1	Very high	26 Å²	26	30.3 Å²	30.3	13%	0.128	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	5.1	175.6	-52.5	-60.1	99.7	0	0	116.7	D747 R748 V749 M863 N864 L899	M745-D747 PolarHBondContact O-N 3.22Å; M745-R748 PolarHBondContact O-N 2.98Å; M745-V749 PolarHBondContact O-N 3.27Å; M745-M863 HydrophobicContact CG-CB 4.39Å; M745-M863 HydrophobicContact CG-SD 4.42Å; M745-N864 HydrophobicContact CE-CB 3.91Å; M745-N864 HydrophobicContact SD-CB 3.72Å; M745-L899 HydrophobicContact CB-CD1 3.76Å; M745-L899 HydrophobicContact CG-CD1 4.16Å
746	K	95.8	Very high	97.2	Very high	35 Å²	35	33.2 Å²	33.2	15%	0.152	17%	0.173	C	C	.	.	H	α-helix	trans	-47	-40.8	179.2	69.2	170.4	-178.4	68.4	0	113.6	I741 P744 R748 V749 N750 D831	I741-K746 HydrophobicContact CB-CB 4.25Å; I741-K746 HydrophobicContact CG2-CB 3.79Å; I741-K746 WeakPolarHBondContact O-CB 3.38Å; I741-K746 VanDerWaalsContact O-CD 3.27Å; I741-K746 WeakPolarHBondContact O-CD 3.42Å; P744-K746 PolarHBondContact O-N 3.5Å; K746-R748 VanDerWaalsContact C-N 3.33Å; K746-R748 PolarHBondContact O-N 2.83Å; K746-V749 PolarHBondContact O-N 2.77Å; K746-N750 WeakPolarHBondContact O-CB 3.31Å; K746-N750 VanDerWaalsContact O-CG 3.22Å; K746-N750 PolarHBondContact O-N 3.12Å; K746-D831 IonicContact NZ-OD1 2.78Å; K746-D831 PolarHBondContact NZ-OD1 3.32Å; K746-D831 IonicContact NZ-OD2 3.51Å
747	D	95.2	Very high	97.2	Very high	64 Å²	64	34.4 Å²	34.4	34%	0.342	18%	0.176	S	C	.	.	H	α-helix	trans	-64.5	-42	-174.7	-45.8	-68	0	0	0	110.6	M745 N750 D751	M745-D747 PolarHBondContact O-N 3.22Å; D747-N750 WeakPolarHBondContact O-CB 3.48Å; D747-N750 PolarHBondContact O-N 3.14Å; D747-D751 VanDerWaalsContact O-CG 3.31Å; D747-D751 PolarHBondContact O-N 2.9Å
748	R	95.9	Very high	97.2	Very high	127 Å²	127	37.1 Å²	37.1	48%	0.479	20%	0.195	S	C	.	.	H	α-helix	trans	-70.7	-36.7	179.2	-178.6	58	-168.8	175.2	9.9	112.1	M745 K746 D752 L899	M745-R748 PolarHBondContact O-N 2.98Å; K746-R748 VanDerWaalsContact C-N 3.33Å; K746-R748 PolarHBondContact O-N 2.83Å; R748-D752 IonicContact CZ-OD1 2.72Å; R748-D752 IonicContact CZ-OD2 2.69Å; R748-D752 VanDerWaalsContact NE-CG 3.34Å; R748-D752 IonicContact NE-OD1 2.63Å; R748-D752 PolarHBondContact NE-OD1 3.34Å; R748-D752 IonicContact NE-OD2 2.76Å; R748-D752 PolarHBondContact NE-OD2 2.72Å; R748-D752 IonicContact NH1-OD1 3.56Å; R748-D752 PolarHBondContact NH1-OD1 2.72Å; R748-D752 IonicContact NH2-OD1 2.6Å; R748-D752 PolarHBondContact NH2-OD1 3.32Å; R748-D752 IonicContact NH2-OD2 3.14Å; R748-D752 PolarHBondContact NH2-OD2 3.28Å; R748-D752 WeakPolarHBondContact O-CB 3.49Å; R748-D752 VanDerWaalsContact O-CG 3.31Å; R748-D752 PolarHBondContact O-N 3.12Å; R748-L899 HydrophobicContact CG-CD2 3.87Å
749	V	97.7	Very high	97.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-68.3	-39.9	174.7	-179.1	0	0	0	0	110.8	I741 M745 K746 D752 L753 I852 L899 Y903 V906	I741-V749 HydrophobicContact CD1-CB 4.32Å; I741-V749 HydrophobicContact CD1-CG1 3.65Å; M745-V749 PolarHBondContact O-N 3.27Å; K746-V749 PolarHBondContact O-N 2.77Å; V749-D752 PolarHBondContact O-N 3.23Å; V749-L753 HydrophobicContact CG1-CD1 4Å; V749-L753 HydrophobicContact CG1-CG 4.35Å; V749-L753 WeakPolarHBondContact O-CB 3.38Å; V749-L753 VanDerWaalsContact O-CG 3.26Å; V749-L753 WeakPolarHBondContact O-CG 3.48Å; V749-L753 PolarHBondContact O-N 2.84Å; V749-I852 HydrophobicContact CG2-CD1 4.22Å; V749-L899 HydrophobicContact CG2-CD1 4.09Å; V749-Y903 HydrophobicContact CG1-CD2 4.05Å; V749-V906 HydrophobicContact CG1-CB 4.29Å; V749-V906 HydrophobicContact CG1-CG1 3.9Å; V749-V906 HydrophobicContact CG1-CG2 4.43Å
750	N	97.5	Very high	97	Very high	9 Å²	9	48 Å²	48	5%	0.048	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-50.6	173.2	-72.6	-13.4	0	0	0	111.7	I741 K746 D747 D752 L753 I754 I829	I741-N750 WeakPolarHBondContact CD1-OD1 3.28Å; K746-N750 WeakPolarHBondContact O-CB 3.31Å; K746-N750 VanDerWaalsContact O-CG 3.22Å; K746-N750 PolarHBondContact O-N 3.12Å; D747-N750 WeakPolarHBondContact O-CB 3.48Å; D747-N750 PolarHBondContact O-N 3.14Å; N750-D752 PolarHBondContact O-N 3.1Å; N750-L753 PolarHBondContact O-N 2.74Å; N750-I754 VanDerWaalsContact O-CG1 3.32Å; N750-I754 WeakPolarHBondContact O-CG1 3.43Å; N750-I754 PolarHBondContact O-N 3.37Å; N750-I754 VanDerWaalsContact O-N 3.11Å; N750-I829 HydrophobicContact CB-CG2 3.8Å
751	D	96.8	Very high	97	Very high	95 Å²	95	48.4 Å²	48.4	51%	0.508	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-46	178.1	-72.8	-20.1	0	0	0	111.8	D747 I754 S755	D747-D751 VanDerWaalsContact O-CG 3.31Å; D747-D751 PolarHBondContact O-N 2.9Å; D751-I754 PolarHBondContact O-N 2.98Å; D751-S755 WeakPolarHBondContact O-CB 3.42Å; D751-S755 PolarHBondContact O-N 3.34Å; D751-S755 PolarHBondContact O-OG 3.44Å
752	D	97.9	Very high	96.9	Very high	34 Å²	34	49 Å²	49	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-73.2	-31	-177	-72.3	-11.7	0	0	0	112.4	R748 V749 N750 E756 Y903	R748-D752 IonicContact CZ-OD1 2.72Å; R748-D752 IonicContact CZ-OD2 2.69Å; R748-D752 VanDerWaalsContact NE-CG 3.34Å; R748-D752 IonicContact NE-OD1 2.63Å; R748-D752 PolarHBondContact NE-OD1 3.34Å; R748-D752 IonicContact NE-OD2 2.76Å; R748-D752 PolarHBondContact NE-OD2 2.72Å; R748-D752 IonicContact NH1-OD1 3.56Å; R748-D752 PolarHBondContact NH1-OD1 2.72Å; R748-D752 IonicContact NH2-OD1 2.6Å; R748-D752 PolarHBondContact NH2-OD1 3.32Å; R748-D752 IonicContact NH2-OD2 3.14Å; R748-D752 PolarHBondContact NH2-OD2 3.28Å; R748-D752 WeakPolarHBondContact O-CB 3.49Å; R748-D752 VanDerWaalsContact O-CG 3.31Å; R748-D752 PolarHBondContact O-N 3.12Å; V749-D752 PolarHBondContact O-N 3.23Å; N750-D752 PolarHBondContact O-N 3.1Å; D752-E756 WeakPolarHBondContact O-CB 3.42Å; D752-E756 PolarHBondContact O-N 3.32Å; D752-Y903 HydrophobicContact CB-CD2 4.09Å; D752-Y903 HydrophobicContact CB-CE2 3.51Å; D752-Y903 PolarHBondContact O-OH 3.47Å
753	L	98.1	Very high	96.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-43.6	172	-75.4	171.4	0	0	0	112	I741 V749 N750 F757 F761 I829 Y903 V906 I910	I741-L753 HydrophobicContact CD1-CD1 3.84Å; V749-L753 HydrophobicContact CG1-CD1 4Å; V749-L753 HydrophobicContact CG1-CG 4.35Å; V749-L753 WeakPolarHBondContact O-CB 3.38Å; V749-L753 VanDerWaalsContact O-CG 3.26Å; V749-L753 WeakPolarHBondContact O-CG 3.48Å; V749-L753 PolarHBondContact O-N 2.84Å; N750-L753 PolarHBondContact O-N 2.74Å; L753-F757 PolarHBondContact O-N 2.64Å; L753-F757 VanDerWaalsContact O-N 3.13Å; L753-F761 HydrophobicContact CB-CD1 4.49Å; L753-F761 HydrophobicContact CB-CD2 4.36Å; L753-F761 HydrophobicContact CB-CE2 4.47Å; L753-F761 HydrophobicContact CB-CG 4.38Å; L753-F761 HydrophobicContact CD1-CE1 4.43Å; L753-F761 HydrophobicContact CD2-CE1 4.48Å; L753-F761 HydrophobicContact CD2-CE2 4.07Å; L753-F761 HydrophobicContact CD2-CZ 3.92Å; L753-F761 WeakPolarHBondContact O-CD2 3.29Å; L753-I829 HydrophobicContact CD1-CD1 3.98Å; L753-Y903 HydrophobicContact CD2-CE2 4Å; L753-Y903 HydrophobicContact CG-CE2 3.94Å; L753-V906 HydrophobicContact CD1-CG1 4.26Å; L753-I910 HydrophobicContact CD1-CD1 3.83Å
754	I	96.7	Very high	96.8	Very high	45 Å²	45	52.4 Å²	52.4	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-69.6	-36.3	-179.5	-65.1	165.5	0	0	0	111.2	N750 D751 P758 F761 S763 I829	N750-I754 VanDerWaalsContact O-CG1 3.32Å; N750-I754 WeakPolarHBondContact O-CG1 3.43Å; N750-I754 PolarHBondContact O-N 3.37Å; N750-I754 VanDerWaalsContact O-N 3.11Å; D751-I754 PolarHBondContact O-N 2.98Å; I754-P758 WeakPolarHBondContact O-CA 3.32Å; I754-F761 HydrophobicContact CG1-CB 4.31Å; I754-S763 WeakPolarHBondContact CD1-OG 3.31Å; I754-I829 HydrophobicContact CD1-CB 4.03Å; I754-I829 HydrophobicContact CD1-CG1 4.32Å; I754-I829 HydrophobicContact CD1-CG2 3.95Å; I754-I829 HydrophobicContact CG1-CB 4.3Å; I754-I829 HydrophobicContact CG1-CG1 4.05Å
755	S	97.7	Very high	96.8	Very high	85 Å²	85	53.8 Å²	53.8	59%	0.594	29%	0.287	S	S	*	.	H	α-helix	trans	-84.8	-32.9	-177.3	57.8	0	0	0	0	114.5	D751	D751-S755 WeakPolarHBondContact O-CB 3.42Å; D751-S755 PolarHBondContact O-N 3.34Å; D751-S755 PolarHBondContact O-OG 3.44Å
756	E	97.7	Very high	96.9	Very high	99 Å²	99	54 Å²	54	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-75.7	-34.4	173.2	-167.4	176	129.3	0	0	111.7	D752 Y903 K907	D752-E756 WeakPolarHBondContact O-CB 3.42Å; D752-E756 PolarHBondContact O-N 3.32Å; E756-Y903 PolarHBondContact OE2-OH 2.97Å; E756-K907 IonicContact OE1-NZ 2.76Å; E756-K907 PolarHBondContact OE1-NZ 2.88Å
757	F	97.4	Very high	97	Very high	57 Å²	57	54 Å²	54	25%	0.25	29%	0.291	C	S	.	.			trans	-131.8	60.7	-174.6	-59.5	-70.5	0	0	0	113.9	L753 D759 K760 F761 K907	L753-F757 PolarHBondContact O-N 2.64Å; L753-F757 VanDerWaalsContact O-N 3.13Å; F757-D759 PolarHBondContact O-N 2.85Å; F757-K760 HydrophobicContact CB-CB 4.15Å; F757-K760 PolarHBondContact O-N 2.99Å; F757-F761 HydrophobicContact CB-CD2 3.67Å; F757-F761 HydrophobicContact CB-CE2 3.9Å; F757-F761 HydrophobicContact CD2-CE2 4.28Å; F757-F761 HydrophobicContact CG-CE2 4.41Å; F757-F761 PolarHBondContact O-N 3.47Å; F757-K907 HydrophobicContact CE2-CD 4.09Å
758	P	97	Very high	97.1	Very high	73 Å²	73	51 Å²	51	47%	0.474	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.4	-178.4	27	-36.6	0	0	0	113.8	I754 K826	I754-P758 WeakPolarHBondContact O-CA 3.32Å; P758-K826 PolarHBondContact O-NZ 3.23Å
759	D	96.9	Very high	97.2	Very high	130 Å²	130	45.9 Å²	45.9	70%	0.695	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-22.7	174.2	-70.8	-42	0	0	0	115.1	F757 K826	F757-D759 PolarHBondContact O-N 2.85Å; D759-K826 WeakPolarHBondContact O-CE 3.5Å; D759-K826 IonicContact OD1-NZ 2.71Å; D759-K826 PolarHBondContact OD1-NZ 3.12Å
760	K	97.6	Very high	97.2	Very high	97 Å²	97	46.9 Å²	46.9	42%	0.422	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-29.1	173.3	-69.3	-171.8	172	-172.5	0	112.8	F757 K826 H827 E911	F757-K760 HydrophobicContact CB-CB 4.15Å; F757-K760 PolarHBondContact O-N 2.99Å; K760-K826 CarbonylContact O-C 3.52Å; K760-K826 WeakPolarHBondContact O-CA 3.37Å; K760-H827 PolarHBondContact O-N 3.42Å; K760-E911 IonicContact NZ-OE1 2.69Å; K760-E911 PolarHBondContact NZ-OE1 2.94Å
761	F	98.3	Very high	97.1	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.044	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	160.9	-173.7	-59.5	-89	0	0	0	112.7	L753 I754 F757 H827 I829 I910	L753-F761 HydrophobicContact CB-CD1 4.49Å; L753-F761 HydrophobicContact CB-CD2 4.36Å; L753-F761 HydrophobicContact CB-CE2 4.47Å; L753-F761 HydrophobicContact CB-CG 4.38Å; L753-F761 HydrophobicContact CD1-CE1 4.43Å; L753-F761 HydrophobicContact CD2-CE1 4.48Å; L753-F761 HydrophobicContact CD2-CE2 4.07Å; L753-F761 HydrophobicContact CD2-CZ 3.92Å; L753-F761 WeakPolarHBondContact O-CD2 3.29Å; I754-F761 HydrophobicContact CG1-CB 4.31Å; F757-F761 HydrophobicContact CB-CD2 3.67Å; F757-F761 HydrophobicContact CB-CE2 3.9Å; F757-F761 HydrophobicContact CD2-CE2 4.28Å; F757-F761 HydrophobicContact CG-CE2 4.41Å; F757-F761 PolarHBondContact O-N 3.47Å; F761-H827 WeakPolarHBondContact CA-O 3.3Å; F761-H827 HydrophobicContact CD1-CB 3.45Å; F761-H827 VanDerWaalsContact CD1-CB 3.45Å; F761-H827 HydrophobicContact CE1-CB 3.73Å; F761-H827 HydrophobicContact CG-CB 4.31Å; F761-I829 HydrophobicContact CB-CG1 4.15Å; F761-I829 HydrophobicContact CD1-CD1 3.76Å; F761-I829 HydrophobicContact CD1-CG1 3.78Å; F761-I829 HydrophobicContact CE1-CD1 4.26Å; F761-I829 HydrophobicContact CG-CG1 4.34Å; F761-I910 HydrophobicContact CE1-CD1 4.12Å; F761-I910 HydrophobicContact CE1-CG2 4.03Å; F761-I910 HydrophobicContact CZ-CD1 4.38Å; F761-I910 HydrophobicContact CZ-CG2 4.05Å
762	G	96.6	Very high	97.2	Very high	14 Å²	14	50.9 Å²	50.9	14%	0.144	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	161.7	168.4	0	0	0	0	0	112.5	H827 C828 I829	G762-H827 PolarHBondContact N-O 3.26Å; G762-C828 CarbonylContact O-C 3.23Å; G762-C828 VanDerWaalsContact O-CA 3.31Å; G762-C828 WeakPolarHBondContact O-CA 3.42Å; G762-I829 PolarHBondContact O-N 3.29Å
763	S	96.3	Very high	97.1	Very high	80 Å²	80	54.7 Å²	54.7	56%	0.559	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.7	172.3	-53.1	0	0	0	0	110.6	I754	I754-S763 WeakPolarHBondContact CD1-OG 3.31Å
764	C	95.9	Very high	97	Very high	16 Å²	16	62.4 Å²	62.4	11%	0.108	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-83	152.8	168.9	62.1	0	0	0	0	111.9	P766 T813 S817 V821 C828 L830	C764-P766 WeakPolarHBondContact O-CD 3.46Å; C764-T813 WeakPolarHBondContact SG-CG2 3.35Å; C764-S817 WeakPolarHBondContact CB-O 3.46Å; C764-V821 HydrophobicContact CB-CG2 3.87Å; C764-C828 VanDerWaalsContact CB-SG 3.55Å; C764-L830 VanDerWaalsContact SG-CD2 3.57Å
765	V	95.9	Very high	96.9	Very high	32 Å²	32	68 Å²	68	19%	0.194	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-80.9	119	178	-176.2	0	0	0	0	110.2	R780 S817	V765-R780 WeakPolarHBondContact CG2-O 3.32Å; V765-S817 VanDerWaalsContact O-CB 3.32Å; V765-S817 WeakPolarHBondContact O-CB 3.5Å; V765-S817 PolarHBondContact O-OG 2.97Å
766	P	96.3	Very high	96.9	Very high	30 Å²	30	64.5 Å²	64.5	20%	0.195	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-76	164	177.1	31.3	-33.9	0	0	0	111.7	C764 Y782 H783	C764-P766 WeakPolarHBondContact O-CD 3.46Å; P766-Y782 HydrophobicContact CB-CD1 4.25Å; P766-Y782 HydrophobicContact CB-CE1 4.38Å; P766-Y782 HydrophobicContact CG-CD1 3.67Å; P766-Y782 HydrophobicContact CG-CE1 3.69Å; P766-Y782 CarbonylContact O-C 3.6Å; P766-Y782 VanDerWaalsContact O-CA 3.23Å; P766-Y782 WeakPolarHBondContact O-CA 3.38Å; P766-H783 PolarHBondContact O-N 2.89Å
767	H	97.8	Very high	96.9	Very high	37 Å²	37	63 Å²	63	17%	0.171	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	152	175.7	-63.9	38.6	0	0	0	110.6	H783 V785 M791 F800 Y811 G812 S814 S817	H767-H783 CarbonylContact C-O 3.54Å; H767-H783 WeakPolarHBondContact CA-O 3.35Å; H767-H783 HydrophobicContact CB-CB 4.42Å; H767-H783 AromaticContact CE1-CD2 3.41Å; H767-H783 PolarHBondContact CE1-CD2 2.8Å; H767-H783 VanDerWaalsContact CE1-CD2 3.41Å; H767-H783 AromaticContact CE1-CG 3.84Å; H767-H783 AromaticContact ND1-CD2 3.64Å; H767-V785 HydrophobicContact CB-CG2 4.06Å; H767-M791 HydrophobicContact CB-CE 4.07Å; H767-M791 HydrophobicContact CB-SD 4.36Å; H767-F800 HydrophobicContact CB-CE1 3.93Å; H767-F800 HydrophobicContact CB-CZ 4.01Å; H767-F800 AromaticContact CD2-CZ 3.97Å; H767-F800 AromaticContact CG-CZ 3.98Å; H767-Y811 WeakPolarHBondContact O-CA 3.34Å; H767-G812 PolarHBondContact N-O 3.47Å; H767-G812 PolarHBondContact O-N 3.1Å; H767-S814 PolarHBondContact CE1-OG 3.02Å; H767-S817 PolarHBondContact CE1-OG 2.97Å; H767-S817 VanDerWaalsContact CE1-OG 3.25Å
768	T	98.1	Very high	96.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	150.4	167.6	-173.4	0	0	0	0	112.7	R770 Y782 H783 F784 V785 L810 Y811	T768-R770 VanDerWaalsContact C-N 3.31Å; T768-R770 HydrophobicContact CG2-CB 4.06Å; T768-R770 WeakPolarHBondContact OG1-CB 3.49Å; T768-R770 PolarHBondContact OG1-N 3.21Å; T768-R770 VanDerWaalsContact OG1-N 3.09Å; T768-Y782 HydrophobicContact CG2-CD1 3.78Å; T768-Y782 HydrophobicContact CG2-CD2 4.33Å; T768-Y782 HydrophobicContact CG2-CG 3.69Å; T768-H783 PolarHBondContact N-O 3Å; T768-F784 HydrophobicContact CG2-CD1 3.65Å; T768-F784 HydrophobicContact CG2-CE1 3.79Å; T768-V785 PolarHBondContact O-N 2.92Å; T768-L810 CarbonylContact C-O 3.53Å; T768-L810 WeakPolarHBondContact CA-O 3.43Å; T768-L810 WeakPolarHBondContact CB-O 3.15Å; T768-L810 PolarHBondContact OG1-O 3.04Å; T768-Y811 HydrophobicContact CG2-CE1 4.29Å; T768-Y811 WeakPolarHBondContact OG1-CD1 3.17Å; T768-Y811 WeakPolarHBondContact OG1-CE1 3.35Å
769	T	97.8	Very high	96.5	Very high	19 Å²	19	63.2 Å²	63.2	12%	0.117	34%	0.336	C	S	.	.	S	Bend	trans	-87.8	1.8	168.5	69.5	0	0	0	0	113	R788 M791 L810	T769-R788 HydrophobicContact CG2-CB 4.12Å; T769-R788 HydrophobicContact CG2-CG 4.3Å; T769-M791 HydrophobicContact CG2-CB 3.95Å; T769-M791 HydrophobicContact CG2-CG 4.35Å; T769-M791 HydrophobicContact CG2-SD 3.68Å; T769-L810 HydrophobicContact CG2-CB 3.94Å; T769-L810 HydrophobicContact CG2-CD1 4.38Å; T769-L810 HydrophobicContact CG2-CG 4.39Å; T769-L810 PolarHBondContact N-O 3.25Å; T769-L810 PolarHBondContact OG1-N 3.06Å
770	R	97.3	Very high	96.3	Very high	22 Å²	22	63.4 Å²	63.4	8%	0.083	33%	0.327	C	S	.	.	S	Bend	trans	-70.4	136.4	175.1	-177	-175.6	50.1	83.6	-12.4	110.3	T768 K772 E776 F784 H809 Y811	T768-R770 VanDerWaalsContact C-N 3.31Å; T768-R770 HydrophobicContact CG2-CB 4.06Å; T768-R770 WeakPolarHBondContact OG1-CB 3.49Å; T768-R770 PolarHBondContact OG1-N 3.21Å; T768-R770 VanDerWaalsContact OG1-N 3.09Å; R770-K772 PolarHBondContact O-N 3.27Å; R770-E776 IonicContact CZ-OE1 2.73Å; R770-E776 IonicContact CZ-OE2 3.22Å; R770-E776 IonicContact NH1-OE1 2.79Å; R770-E776 PolarHBondContact NH1-OE1 2.66Å; R770-E776 IonicContact NH1-OE2 3.67Å; R770-E776 PolarHBondContact NH1-OE2 2.87Å; R770-E776 VanDerWaalsContact NH2-CD 3.35Å; R770-E776 IonicContact NH2-OE1 2.76Å; R770-E776 PolarHBondContact NH2-OE1 3.26Å; R770-E776 IonicContact NH2-OE2 3.92Å; R770-E776 PolarHBondContact NH2-OE2 3.39Å; R770-F784 VanDerWaalsContact O-CD1 3.26Å; R770-F784 WeakPolarHBondContact O-CD1 3.32Å; R770-H809 WeakPolarHBondContact CA-CD2 3.31Å; R770-H809 HydrophobicContact CB-CB 3.91Å; R770-Y811 VanDerWaalsContact CD-OH 3.27Å; R770-Y811 WeakPolarHBondContact CD-OH 3.23Å; R770-Y811 PolarHBondContact NE-OH 2.76Å; R770-Y811 VanDerWaalsContact NE-OH 3.16Å
771	P	96.1	Very high	96.2	Very high	93 Å²	93	59.9 Å²	59.9	60%	0.604	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-54	136.9	168.9	-27.3	35.7	0	0	0	113
772	K	97.2	Very high	96.1	Very high	96 Å²	96	61.5 Å²	61.5	42%	0.417	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-62	133.4	175	-169.5	-170.3	82.5	63.6	0	110.8	R770 E776 F784	R770-K772 PolarHBondContact O-N 3.27Å; K772-E776 VanDerWaalsContact CD-O 3.31Å; K772-E776 WeakPolarHBondContact CD-O 3.35Å; K772-E776 WeakPolarHBondContact CE-O 3.39Å; K772-E776 HydrophobicContact CG-CB 3.84Å; K772-E776 PolarHBondContact NZ-O 2.86Å; K772-F784 HydrophobicContact CB-CD1 3.9Å; K772-F784 HydrophobicContact CB-CD2 3.91Å; K772-F784 HydrophobicContact CB-CE1 4Å; K772-F784 HydrophobicContact CB-CE2 4.05Å; K772-F784 HydrophobicContact CB-CG 3.83Å; K772-F784 HydrophobicContact CB-CZ 4.07Å; K772-F784 HydrophobicContact CD-CD2 4.09Å; K772-F784 HydrophobicContact CD-CE2 4.07Å; K772-F784 HydrophobicContact CG-CD1 4.43Å; K772-F784 HydrophobicContact CG-CD2 3.77Å; K772-F784 HydrophobicContact CG-CE1 4.19Å; K772-F784 HydrophobicContact CG-CE2 3.53Å; K772-F784 HydrophobicContact CG-CG 4.22Å; K772-F784 HydrophobicContact CG-CZ 3.73Å
773	R	96.4	Very high	96.1	Very high	113 Å²	113	64 Å²	64	43%	0.426	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-81.6	164.9	171.2	-59	169.5	-175.3	132.6	-11.7	111.2	Y775 E776	R773-Y775 VanDerWaalsContact C-N 3.3Å; R773-Y775 HydrophobicContact CB-CD1 4.24Å; R773-Y775 HydrophobicContact CB-CE1 4Å; R773-Y775 WeakPolarHBondContact CD-OH 3.5Å; R773-Y775 PolarHBondContact O-N 3.37Å; R773-E776 HydrophobicContact CB-CB 4.46Å; R773-E776 HydrophobicContact CB-CG 3.98Å; R773-E776 WeakPolarHBondContact CB-OE2 3.26Å; R773-E776 WeakPolarHBondContact CD-OE1 3.45Å; R773-E776 WeakPolarHBondContact CG-OE2 3.34Å; R773-E776 IonicContact CZ-OE1 2.66Å; R773-E776 PolarHBondContact N-OE2 3.42Å; R773-E776 IonicContact NE-OE1 3.16Å; R773-E776 IonicContact NH1-OE1 2.8Å; R773-E776 PolarHBondContact NH1-OE1 2.71Å; R773-E776 PolarHBondContact O-N 3.35Å; R773-E776 VanDerWaalsContact O-N 3.1Å
774	D	95.6	Very high	96.2	Very high	163 Å²	163	61.8 Å²	61.8	87%	0.872	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-37.8	-175.5	-53	-41.4	0	0	0	113.2
775	Y	96	Very high	96.2	Very high	163 Å²	163	62.6 Å²	62.6	64%	0.639	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-8.5	178.6	62.7	-100.1	0	0	0	114.7	R773	R773-Y775 VanDerWaalsContact C-N 3.3Å; R773-Y775 HydrophobicContact CB-CD1 4.24Å; R773-Y775 HydrophobicContact CB-CE1 4Å; R773-Y775 WeakPolarHBondContact CD-OH 3.5Å; R773-Y775 PolarHBondContact O-N 3.37Å
776	E	96.9	Very high	96	Very high	11 Å²	11	68.3 Å²	68.3	5%	0.051	35%	0.347	C	S	.	.			trans	-89.8	147.8	-179.1	-66.3	172.3	160.5	0	0	110.9	R770 K772 R773 D781 F784	R770-E776 IonicContact CZ-OE1 2.73Å; R770-E776 IonicContact CZ-OE2 3.22Å; R770-E776 IonicContact NH1-OE1 2.79Å; R770-E776 PolarHBondContact NH1-OE1 2.66Å; R770-E776 IonicContact NH1-OE2 3.67Å; R770-E776 PolarHBondContact NH1-OE2 2.87Å; R770-E776 VanDerWaalsContact NH2-CD 3.35Å; R770-E776 IonicContact NH2-OE1 2.76Å; R770-E776 PolarHBondContact NH2-OE1 3.26Å; R770-E776 IonicContact NH2-OE2 3.92Å; R770-E776 PolarHBondContact NH2-OE2 3.39Å; K772-E776 VanDerWaalsContact CD-O 3.31Å; K772-E776 WeakPolarHBondContact CD-O 3.35Å; K772-E776 WeakPolarHBondContact CE-O 3.39Å; K772-E776 HydrophobicContact CG-CB 3.84Å; K772-E776 PolarHBondContact NZ-O 2.86Å; R773-E776 HydrophobicContact CB-CB 4.46Å; R773-E776 HydrophobicContact CB-CG 3.98Å; R773-E776 WeakPolarHBondContact CB-OE2 3.26Å; R773-E776 WeakPolarHBondContact CD-OE1 3.45Å; R773-E776 WeakPolarHBondContact CG-OE2 3.34Å; R773-E776 IonicContact CZ-OE1 2.66Å; R773-E776 PolarHBondContact N-OE2 3.42Å; R773-E776 IonicContact NE-OE1 3.16Å; R773-E776 IonicContact NH1-OE1 2.8Å; R773-E776 PolarHBondContact NH1-OE1 2.71Å; R773-E776 PolarHBondContact O-N 3.35Å; R773-E776 VanDerWaalsContact O-N 3.1Å; E776-D781 VanDerWaalsContact CA-OD2 3.24Å; E776-D781 WeakPolarHBondContact CA-OD2 3.46Å; E776-F784 HydrophobicContact CB-CE2 4.35Å; E776-F784 HydrophobicContact CB-CZ 3.91Å
777	V	96.6	Very high	96	Very high	68 Å²	68	68.7 Å²	68.7	41%	0.412	35%	0.35	S	S	.	.			trans	-120.9	125.8	-179.5	176.1	0	0	0	0	109.3	R780 D781	V777-R780 HydrophobicContact CB-CB 4.08Å; V777-R780 HydrophobicContact CG1-CB 4.05Å; V777-R780 PolarHBondContact O-N 3.44Å; V777-D781 PolarHBondContact N-OD2 3.21Å; V777-D781 PolarHBondContact O-N 2.84Å
778	D	95.6	Very high	95.9	Very high	95 Å²	95	70.4 Å²	70.4	51%	0.508	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-65.1	139.6	176.4	-175.2	52.5	0	0	0	111.1	R780 Y782 H783 F784	D778-R780 PolarHBondContact O-N 3.24Å; D778-Y782 WeakPolarHBondContact CA-O 3.22Å; D778-H783 WeakPolarHBondContact OD1-CA 3.45Å; D778-F784 HydrophobicContact CB-CD2 3.84Å; D778-F784 HydrophobicContact CB-CE2 4.49Å; D778-F784 WeakPolarHBondContact OD1-CD2 3.49Å; D778-F784 PolarHBondContact OD1-N 2.86Å
779	G	91.8	Very high	95.9	Very high	38 Å²	38	76.4 Å²	76.4	39%	0.392	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	6.8	-173.4	0	0	0	0	0	115	Y782	G779-Y782 PolarHBondContact N-O 2.88Å
780	R	93.1	Very high	95.8	Very high	134 Å²	134	79.4 Å²	79.4	51%	0.506	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-56.9	168.7	-172.8	-167.1	72.2	-159.5	-6	112	V765 V777 D778	V765-R780 WeakPolarHBondContact CG2-O 3.32Å; V777-R780 HydrophobicContact CB-CB 4.08Å; V777-R780 HydrophobicContact CG1-CB 4.05Å; V777-R780 PolarHBondContact O-N 3.44Å; D778-R780 PolarHBondContact O-N 3.24Å
781	D	93.8	Very high	95.8	Very high	23 Å²	23	78.4 Å²	78.4	12%	0.123	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-43.9	-174.8	-52.8	-43.5	0	0	0	110.8	P159 E776 V777	P159-D781 WeakPolarHBondContact CG-OD1 3.46Å; E776-D781 VanDerWaalsContact CA-OD2 3.24Å; E776-D781 WeakPolarHBondContact CA-OD2 3.46Å; V777-D781 PolarHBondContact N-OD2 3.21Å; V777-D781 PolarHBondContact O-N 2.84Å
782	Y	97.4	Very high	95.8	Very high	45 Å²	45	76.7 Å²	76.7	18%	0.176	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-145.4	163.5	165.4	-65.6	-91.8	0	0	0	109.5	P766 T768 D778 G779 F784 Y811	P766-Y782 HydrophobicContact CB-CD1 4.25Å; P766-Y782 HydrophobicContact CB-CE1 4.38Å; P766-Y782 HydrophobicContact CG-CD1 3.67Å; P766-Y782 HydrophobicContact CG-CE1 3.69Å; P766-Y782 CarbonylContact O-C 3.6Å; P766-Y782 VanDerWaalsContact O-CA 3.23Å; P766-Y782 WeakPolarHBondContact O-CA 3.38Å; T768-Y782 HydrophobicContact CG2-CD1 3.78Å; T768-Y782 HydrophobicContact CG2-CD2 4.33Å; T768-Y782 HydrophobicContact CG2-CG 3.69Å; D778-Y782 WeakPolarHBondContact CA-O 3.22Å; G779-Y782 PolarHBondContact N-O 2.88Å; Y782-F784 HydrophobicContact CD2-CE1 4.06Å; Y782-F784 AromaticContact CD2-CZ 3.85Å; Y782-F784 HydrophobicContact CD2-CZ 3.85Å; Y782-F784 HydrophobicContact CG-CE1 4.24Å; Y782-F784 HydrophobicContact CG-CZ 4.2Å; Y782-F784 WeakPolarHBondContact O-CD2 3.38Å; Y782-F784 WeakPolarHBondContact O-CE2 3.48Å; Y782-Y811 HydrophobicContact CD1-CD1 4.38Å; Y782-Y811 AromaticContact CE1-CD1 3.73Å; Y782-Y811 HydrophobicContact CE1-CD1 3.73Å; Y782-Y811 AromaticContact CE1-CE1 3.96Å; Y782-Y811 HydrophobicContact CE1-CE1 3.96Å
783	H	97.1	Very high	95.8	Very high	65 Å²	65	76.8 Å²	76.8	30%	0.301	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114.8	152.3	-67.5	-72.4	0	0	0	108.6	P766 H767 T768 D778 V785	P766-H783 PolarHBondContact O-N 2.89Å; H767-H783 CarbonylContact C-O 3.54Å; H767-H783 WeakPolarHBondContact CA-O 3.35Å; H767-H783 HydrophobicContact CB-CB 4.42Å; H767-H783 AromaticContact CE1-CD2 3.41Å; H767-H783 PolarHBondContact CE1-CD2 2.8Å; H767-H783 VanDerWaalsContact CE1-CD2 3.41Å; H767-H783 AromaticContact CE1-CG 3.84Å; H767-H783 AromaticContact ND1-CD2 3.64Å; T768-H783 PolarHBondContact N-O 3Å; D778-H783 WeakPolarHBondContact OD1-CA 3.45Å; H783-V785 PolarHBondContact O-N 3.46Å
784	F	97.4	Very high	95.8	Very high	34 Å²	34	72.8 Å²	72.8	15%	0.149	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	96.5	-173.9	-66	-78.4	0	0	0	111	T768 R770 K772 E776 D778 Y782	T768-F784 HydrophobicContact CG2-CD1 3.65Å; T768-F784 HydrophobicContact CG2-CE1 3.79Å; R770-F784 VanDerWaalsContact O-CD1 3.26Å; R770-F784 WeakPolarHBondContact O-CD1 3.32Å; K772-F784 HydrophobicContact CB-CD1 3.9Å; K772-F784 HydrophobicContact CB-CD2 3.91Å; K772-F784 HydrophobicContact CB-CE1 4Å; K772-F784 HydrophobicContact CB-CE2 4.05Å; K772-F784 HydrophobicContact CB-CG 3.83Å; K772-F784 HydrophobicContact CB-CZ 4.07Å; K772-F784 HydrophobicContact CD-CD2 4.09Å; K772-F784 HydrophobicContact CD-CE2 4.07Å; K772-F784 HydrophobicContact CG-CD1 4.43Å; K772-F784 HydrophobicContact CG-CD2 3.77Å; K772-F784 HydrophobicContact CG-CE1 4.19Å; K772-F784 HydrophobicContact CG-CE2 3.53Å; K772-F784 HydrophobicContact CG-CG 4.22Å; K772-F784 HydrophobicContact CG-CZ 3.73Å; E776-F784 HydrophobicContact CB-CE2 4.35Å; E776-F784 HydrophobicContact CB-CZ 3.91Å; D778-F784 HydrophobicContact CB-CD2 3.84Å; D778-F784 HydrophobicContact CB-CE2 4.49Å; D778-F784 WeakPolarHBondContact OD1-CD2 3.49Å; D778-F784 PolarHBondContact OD1-N 2.86Å; Y782-F784 HydrophobicContact CD2-CE1 4.06Å; Y782-F784 AromaticContact CD2-CZ 3.85Å; Y782-F784 HydrophobicContact CD2-CZ 3.85Å; Y782-F784 HydrophobicContact CG-CE1 4.24Å; Y782-F784 HydrophobicContact CG-CZ 4.2Å; Y782-F784 WeakPolarHBondContact O-CD2 3.38Å; Y782-F784 WeakPolarHBondContact O-CE2 3.48Å
785	V	96.1	Very high	95.8	Very high	34 Å²	34	66.1 Å²	66.1	21%	0.206	33%	0.327	C	S	.	.			trans	-80.2	125.3	-174.9	-168.5	0	0	0	0	110.5	H767 T768 H783 S787 M791	H767-V785 HydrophobicContact CB-CG2 4.06Å; T768-V785 PolarHBondContact O-N 2.92Å; H783-V785 PolarHBondContact O-N 3.46Å; V785-S787 WeakPolarHBondContact CG1-O 3.49Å; V785-M791 HydrophobicContact CG1-CB 4.31Å; V785-M791 HydrophobicContact CG2-SD 4.23Å
786	T	92.6	Very high	95.7	Very high	152 Å²	152	63.8 Å²	63.8	93%	0.933	32%	0.323	S	S	*	.	S	Bend	trans	-82.4	-25.6	-173	47	0	0	0	0	115
787	S	96	Very high	95.6	Very high	38 Å²	38	67.9 Å²	67.9	27%	0.266	34%	0.342	S	S	.	.			trans	-109.5	125.7	173	163.5	0	0	0	0	109.7	V785 E789 Q790 M791	V785-S787 WeakPolarHBondContact CG1-O 3.49Å; S787-E789 WeakPolarHBondContact CB-OE2 3.35Å; S787-E789 PolarHBondContact OG-N 3.33Å; S787-E789 PolarHBondContact OG-OE2 2.82Å; S787-Q790 WeakPolarHBondContact OG-CB 3.37Å; S787-Q790 PolarHBondContact OG-N 2.89Å; S787-M791 PolarHBondContact O-N 3.36Å
788	R	95.5	Very high	95.4	Very high	72 Å²	72	71.6 Å²	71.6	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-40.4	174.2	175.6	179	164.8	121.3	11.3	110.5	T769 Q790 M791 E792 Q805 N808 L810	T769-R788 HydrophobicContact CG2-CB 4.12Å; T769-R788 HydrophobicContact CG2-CG 4.3Å; R788-Q790 VanDerWaalsContact C-N 3.29Å; R788-Q790 PolarHBondContact O-N 2.8Å; R788-M791 PolarHBondContact O-N 2.66Å; R788-E792 HydrophobicContact CG-CG 4.32Å; R788-E792 IonicContact CZ-OE1 3.82Å; R788-E792 IonicContact NE-OE1 3.88Å; R788-E792 PolarHBondContact NE-OE1 3.07Å; R788-E792 IonicContact NH2-OE1 3.18Å; R788-E792 PolarHBondContact NH2-OE1 2.56Å; R788-E792 WeakPolarHBondContact O-CG 3.42Å; R788-E792 PolarHBondContact O-N 2.9Å; R788-Q805 VanDerWaalsContact CZ-OE1 3.27Å; R788-N808 PolarHBondContact NH1-O 3.06Å; R788-L810 HydrophobicContact CG-CD1 3.93Å; R788-L810 HydrophobicContact CG-CG 4.4Å
789	E	96.8	Very high	95.4	Very high	126 Å²	126	71.1 Å²	71.1	59%	0.589	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-40.6	-178.4	-49.2	71.5	-156.5	0	0	110.8	S787 E792 K793	S787-E789 WeakPolarHBondContact CB-OE2 3.35Å; S787-E789 PolarHBondContact OG-N 3.33Å; S787-E789 PolarHBondContact OG-OE2 2.82Å; E789-E792 PolarHBondContact O-N 2.93Å; E789-K793 WeakPolarHBondContact O-CB 3.45Å; E789-K793 PolarHBondContact O-N 3.03Å
790	Q	95.9	Very high	95.7	Very high	82 Å²	82	69.5 Å²	69.5	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-41.8	173.8	-178.8	53.9	49.9	0	0	111.7	S787 R788 K793 D794	S787-Q790 WeakPolarHBondContact OG-CB 3.37Å; S787-Q790 PolarHBondContact OG-N 2.89Å; R788-Q790 VanDerWaalsContact C-N 3.29Å; R788-Q790 PolarHBondContact O-N 2.8Å; Q790-K793 PolarHBondContact O-N 3.42Å; Q790-D794 PolarHBondContact NE2-OD1 3.03Å; Q790-D794 PolarHBondContact NE2-OD2 3.23Å; Q790-D794 WeakPolarHBondContact O-CB 3.47Å; Q790-D794 VanDerWaalsContact O-CG 3.24Å; Q790-D794 PolarHBondContact O-N 3.1Å; Q790-D794 VanDerWaalsContact O-OD2 3.12Å
791	M	97.2	Very high	95.9	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-67.3	-36.8	176	-173	165.4	173.4	0	0	112.3	H767 T769 V785 S787 R788 D794 I795 F800 L810	H767-M791 HydrophobicContact CB-CE 4.07Å; H767-M791 HydrophobicContact CB-SD 4.36Å; T769-M791 HydrophobicContact CG2-CB 3.95Å; T769-M791 HydrophobicContact CG2-CG 4.35Å; T769-M791 HydrophobicContact CG2-SD 3.68Å; V785-M791 HydrophobicContact CG1-CB 4.31Å; V785-M791 HydrophobicContact CG2-SD 4.23Å; S787-M791 PolarHBondContact O-N 3.36Å; R788-M791 PolarHBondContact O-N 2.66Å; M791-D794 PolarHBondContact O-N 2.82Å; M791-I795 HydrophobicContact CE-CD1 4.47Å; M791-I795 HydrophobicContact CG-CD1 4.16Å; M791-I795 WeakPolarHBondContact O-CD1 3.45Å; M791-I795 VanDerWaalsContact O-CG1 3.22Å; M791-I795 WeakPolarHBondContact O-CG1 3.47Å; M791-I795 PolarHBondContact O-N 2.9Å; M791-F800 HydrophobicContact CE-CE1 3.83Å; M791-F800 HydrophobicContact CE-CZ 3.83Å; M791-F800 HydrophobicContact CG-CE2 4.27Å; M791-F800 HydrophobicContact CG-CZ 4.2Å; M791-F800 HydrophobicContact SD-CZ 4.49Å; M791-L810 HydrophobicContact CB-CD1 4.43Å; M791-L810 HydrophobicContact CE-CB 4.05Å; M791-L810 HydrophobicContact CG-CD1 4.35Å; M791-L810 HydrophobicContact SD-CB 3.95Å
792	E	97.4	Very high	96	Very high	57 Å²	57	64.2 Å²	64.2	27%	0.266	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-45	173.2	-70.5	174.9	156	0	0	111.3	R788 E789 D794 I795 Q796 L810	R788-E792 HydrophobicContact CG-CG 4.32Å; R788-E792 IonicContact CZ-OE1 3.82Å; R788-E792 IonicContact NE-OE1 3.88Å; R788-E792 PolarHBondContact NE-OE1 3.07Å; R788-E792 IonicContact NH2-OE1 3.18Å; R788-E792 PolarHBondContact NH2-OE1 2.56Å; R788-E792 WeakPolarHBondContact O-CG 3.42Å; R788-E792 PolarHBondContact O-N 2.9Å; E789-E792 PolarHBondContact O-N 2.93Å; E792-D794 PolarHBondContact O-N 3.48Å; E792-I795 WeakPolarHBondContact O-CB 3.49Å; E792-I795 PolarHBondContact O-N 3.22Å; E792-Q796 WeakPolarHBondContact O-CG 3.35Å; E792-Q796 PolarHBondContact O-N 3.45Å; E792-L810 HydrophobicContact CG-CD1 3.43Å; E792-L810 VanDerWaalsContact CG-CD1 3.43Å
793	K	97	Very high	95.9	Very high	99 Å²	99	62.6 Å²	62.6	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-41.8	172.6	179.7	176.6	172.6	179.5	0	112.5	E789 Q790 I795 Q796 E797	E789-K793 WeakPolarHBondContact O-CB 3.45Å; E789-K793 PolarHBondContact O-N 3.03Å; Q790-K793 PolarHBondContact O-N 3.42Å; K793-I795 VanDerWaalsContact C-N 3.29Å; K793-I795 PolarHBondContact O-N 3.04Å; K793-Q796 WeakPolarHBondContact O-CB 3.45Å; K793-Q796 PolarHBondContact O-N 3.31Å; K793-E797 WeakPolarHBondContact CE-OE1 3.47Å; K793-E797 HydrophobicContact CG-CG 4.44Å; K793-E797 IonicContact NZ-OE1 2.66Å; K793-E797 WeakPolarHBondContact O-CB 3.45Å; K793-E797 WeakPolarHBondContact O-CG 3.45Å; K793-E797 PolarHBondContact O-N 3.05Å
794	D	96.2	Very high	95.7	Very high	29 Å²	29	60.4 Å²	60.4	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-68.3	-27.9	177.7	-71.5	-37.4	0	0	0	112.9	Q790 M791 E792 K799 F800	Q790-D794 PolarHBondContact NE2-OD1 3.03Å; Q790-D794 PolarHBondContact NE2-OD2 3.23Å; Q790-D794 WeakPolarHBondContact O-CB 3.47Å; Q790-D794 VanDerWaalsContact O-CG 3.24Å; Q790-D794 PolarHBondContact O-N 3.1Å; Q790-D794 VanDerWaalsContact O-OD2 3.12Å; M791-D794 PolarHBondContact O-N 2.82Å; E792-D794 PolarHBondContact O-N 3.48Å; D794-K799 HydrophobicContact CB-CB 4.44Å; D794-K799 HydrophobicContact CB-CD 4.08Å; D794-K799 WeakPolarHBondContact O-CB 3.46Å; D794-K799 PolarHBondContact O-N 3.42Å; D794-K799 WeakPolarHBondContact OD1-CD 3.23Å; D794-K799 WeakPolarHBondContact OD1-CE 3.5Å; D794-K799 IonicContact OD1-NZ 3.32Å; D794-K799 PolarHBondContact OD1-NZ 3.2Å; D794-F800 HydrophobicContact CB-CD2 4.26Å; D794-F800 HydrophobicContact CB-CE2 3.79Å
795	I	94.9	Very high	95.6	Very high	22 Å²	22	63.1 Å²	63.1	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-70.5	-43	170.4	-69	161.2	0	0	0	110.6	M791 E792 K793 H798 F800 A803 L810	M791-I795 HydrophobicContact CE-CD1 4.47Å; M791-I795 HydrophobicContact CG-CD1 4.16Å; M791-I795 WeakPolarHBondContact O-CD1 3.45Å; M791-I795 VanDerWaalsContact O-CG1 3.22Å; M791-I795 WeakPolarHBondContact O-CG1 3.47Å; M791-I795 PolarHBondContact O-N 2.9Å; E792-I795 WeakPolarHBondContact O-CB 3.49Å; E792-I795 PolarHBondContact O-N 3.22Å; K793-I795 VanDerWaalsContact C-N 3.29Å; K793-I795 PolarHBondContact O-N 3.04Å; I795-H798 PolarHBondContact O-N 2.87Å; I795-F800 HydrophobicContact CB-CD2 4.44Å; I795-F800 HydrophobicContact CG1-CB 4.17Å; I795-F800 HydrophobicContact CG1-CD2 3.56Å; I795-F800 HydrophobicContact CG1-CE2 4.16Å; I795-F800 HydrophobicContact CG1-CG 3.9Å; I795-A803 HydrophobicContact CD1-CB 3.6Å; I795-A803 HydrophobicContact CG1-CB 3.79Å; I795-A803 HydrophobicContact CG2-CB 4.47Å; I795-L810 HydrophobicContact CD1-CD1 4.35Å
796	Q	94.4	Very high	95.5	Very high	115 Å²	115	67 Å²	67	54%	0.537	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-43.4	174.5	-70.3	168.9	-5.2	0	0	111.8	E792 K793 H798	E792-Q796 WeakPolarHBondContact O-CG 3.35Å; E792-Q796 PolarHBondContact O-N 3.45Å; K793-Q796 WeakPolarHBondContact O-CB 3.45Å; K793-Q796 PolarHBondContact O-N 3.31Å; Q796-H798 PolarHBondContact O-N 3.39Å; Q796-H798 PolarHBondContact O-ND1 2.73Å
797	E	94.4	Very high	95.6	Very high	97 Å²	97	64.9 Å²	64.9	45%	0.453	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	17.8	173.7	-67.4	-178.2	-176.8	0	0	113.5	K793 K799	K793-E797 WeakPolarHBondContact CE-OE1 3.47Å; K793-E797 HydrophobicContact CG-CG 4.44Å; K793-E797 IonicContact NZ-OE1 2.66Å; K793-E797 WeakPolarHBondContact O-CB 3.45Å; K793-E797 WeakPolarHBondContact O-CG 3.45Å; K793-E797 PolarHBondContact O-N 3.05Å; E797-K799 HydrophobicContact CB-CG 4.37Å; E797-K799 PolarHBondContact O-N 2.95Å; E797-K799 VanDerWaalsContact O-N 3.07Å; E797-K799 WeakPolarHBondContact OE2-CE 3.27Å; E797-K799 IonicContact OE2-NZ 3.16Å; E797-K799 PolarHBondContact OE2-NZ 3.02Å
798	H	93.3	Very high	95.4	Very high	145 Å²	145	69 Å²	69	67%	0.671	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	21.3	174.5	-58.5	-26.8	0	0	0	116	I795 Q796 F800	I795-H798 PolarHBondContact O-N 2.87Å; Q796-H798 PolarHBondContact O-N 3.39Å; Q796-H798 PolarHBondContact O-ND1 2.73Å; H798-F800 PolarHBondContact O-N 3.15Å
799	K	95.9	Very high	95.4	Very high	86 Å²	86	68.4 Å²	68.4	37%	0.374	33%	0.328	S	S	.	.			trans	-75.1	-5.2	180	-55.1	178.2	-166.9	159.8	0	113.3	D794 E797 S814 V815	D794-K799 HydrophobicContact CB-CB 4.44Å; D794-K799 HydrophobicContact CB-CD 4.08Å; D794-K799 WeakPolarHBondContact O-CB 3.46Å; D794-K799 PolarHBondContact O-N 3.42Å; D794-K799 WeakPolarHBondContact OD1-CD 3.23Å; D794-K799 WeakPolarHBondContact OD1-CE 3.5Å; D794-K799 IonicContact OD1-NZ 3.32Å; D794-K799 PolarHBondContact OD1-NZ 3.2Å; E797-K799 HydrophobicContact CB-CG 4.37Å; E797-K799 PolarHBondContact O-N 2.95Å; E797-K799 VanDerWaalsContact O-N 3.07Å; E797-K799 WeakPolarHBondContact OE2-CE 3.27Å; E797-K799 IonicContact OE2-NZ 3.16Å; E797-K799 PolarHBondContact OE2-NZ 3.02Å; K799-S814 CarbonylContact O-C 3.52Å; K799-S814 VanDerWaalsContact O-CA 3.29Å; K799-S814 WeakPolarHBondContact O-CA 3.26Å; K799-V815 PolarHBondContact O-N 2.9Å
800	F	97.3	Very high	95.4	Very high	4 Å²	4	63 Å²	63	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.4	-180	-77.6	-89.1	0	0	0	112.4	H767 M791 D794 I795 H798 A803 T813 R839	H767-F800 HydrophobicContact CB-CE1 3.93Å; H767-F800 HydrophobicContact CB-CZ 4.01Å; H767-F800 AromaticContact CD2-CZ 3.97Å; H767-F800 AromaticContact CG-CZ 3.98Å; M791-F800 HydrophobicContact CE-CE1 3.83Å; M791-F800 HydrophobicContact CE-CZ 3.83Å; M791-F800 HydrophobicContact CG-CE2 4.27Å; M791-F800 HydrophobicContact CG-CZ 4.2Å; M791-F800 HydrophobicContact SD-CZ 4.49Å; D794-F800 HydrophobicContact CB-CD2 4.26Å; D794-F800 HydrophobicContact CB-CE2 3.79Å; I795-F800 HydrophobicContact CB-CD2 4.44Å; I795-F800 HydrophobicContact CG1-CB 4.17Å; I795-F800 HydrophobicContact CG1-CD2 3.56Å; I795-F800 HydrophobicContact CG1-CE2 4.16Å; I795-F800 HydrophobicContact CG1-CG 3.9Å; H798-F800 PolarHBondContact O-N 3.15Å; F800-A803 HydrophobicContact CB-CB 4.26Å; F800-A803 HydrophobicContact CG-CB 4.46Å; F800-T813 WeakPolarHBondContact CA-O 3.5Å; F800-T813 VanDerWaalsContact CD1-C 3.47Å; F800-T813 WeakPolarHBondContact CD1-O 3.1Å; F800-R839 VanDerWaalsContact O-CD 3.26Å; F800-R839 WeakPolarHBondContact O-CD 3.46Å; F800-R839 PolarHBondContact O-NH1 3.11Å
801	I	96.6	Very high	95.5	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-30.9	174.7	63.1	158.3	0	0	0	111.7	T813 V815 V818 L830 V832 A836 R839 L840	I801-T813 HydrophobicContact CD1-CG2 3.86Å; I801-T813 HydrophobicContact CG1-CG2 3.86Å; I801-T813 VanDerWaalsContact CG1-O 3.31Å; I801-T813 WeakPolarHBondContact CG1-O 3.48Å; I801-T813 PolarHBondContact N-O 3.06Å; I801-V815 HydrophobicContact CG2-CG2 3.64Å; I801-V818 HydrophobicContact CD1-CG2 3.84Å; I801-V818 HydrophobicContact CG1-CG2 4.47Å; I801-L830 HydrophobicContact CD1-CD1 3.8Å; I801-L830 HydrophobicContact CD1-CD2 4.3Å; I801-V832 HydrophobicContact CD1-CG1 4.22Å; I801-A836 HydrophobicContact CB-CB 4.4Å; I801-A836 HydrophobicContact CD1-CB 4.29Å; I801-R839 HydrophobicContact CB-CB 4.37Å; I801-R839 HydrophobicContact CG2-CB 4.43Å; I801-R839 WeakPolarHBondContact O-CD 3.1Å; I801-L840 HydrophobicContact CB-CG 4.47Å; I801-L840 HydrophobicContact CD1-CD1 4.26Å; I801-L840 HydrophobicContact CD1-CD2 4.36Å; I801-L840 HydrophobicContact CD1-CG 4.36Å; I801-L840 HydrophobicContact CG2-CD2 3.72Å; I801-L840 HydrophobicContact CG2-CG 3.94Å
802	E	96.1	Very high	95.5	Very high	44 Å²	44	61.7 Å²	61.7	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	143.2	172.1	-173.1	161.4	87.1	0	0	108.5	G812 T813 V832 S833	E802-G812 CarbonylContact O-C 3.51Å; E802-G812 WeakPolarHBondContact O-CA 3.13Å; E802-T813 PolarHBondContact O-N 3.04Å; E802-V832 HydrophobicContact CB-CG1 4.2Å; E802-V832 VanDerWaalsContact OE1-CA 3.32Å; E802-V832 WeakPolarHBondContact OE1-CA 3.31Å; E802-S833 PolarHBondContact OE1-N 3.23Å; E802-S833 WeakPolarHBondContact OE2-CA 3.4Å; E802-S833 WeakPolarHBondContact OE2-CB 3.4Å; E802-S833 PolarHBondContact OE2-N 3.22Å; E802-S833 PolarHBondContact OE2-OG 3.41Å
803	A	95.4	Very high	95.5	Very high	11 Å²	11	60 Å²	60	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.7	175.4	0	0	0	0	0	110.5	I795 F800 Y811	I795-A803 HydrophobicContact CD1-CB 3.6Å; I795-A803 HydrophobicContact CG1-CB 3.79Å; I795-A803 HydrophobicContact CG2-CB 4.47Å; F800-A803 HydrophobicContact CB-CB 4.26Å; F800-A803 HydrophobicContact CG-CB 4.46Å; A803-Y811 CarbonylContact C-O 3.49Å; A803-Y811 VanDerWaalsContact CA-O 3.23Å; A803-Y811 WeakPolarHBondContact CA-O 3.38Å
804	G	93.9	Very high	95.5	Very high	18 Å²	18	55.7 Å²	55.7	19%	0.186	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	168.3	178.4	0	0	0	0	0	112.8	L810 Y811	G804-L810 WeakPolarHBondContact O-CA 3.34Å; G804-Y811 PolarHBondContact N-O 3.39Å; G804-Y811 PolarHBondContact O-N 3.34Å
805	Q	95.7	Very high	95.6	Very high	92 Å²	92	55.1 Å²	55.1	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.1	177.6	179.7	163.2	-56.8	0	0	111	R788 H809 L810	R788-Q805 VanDerWaalsContact CZ-OE1 3.27Å; Q805-H809 WeakPolarHBondContact CA-O 3.32Å; Q805-L810 HydrophobicContact CB-CD2 3.94Å; Q805-L810 HydrophobicContact CG-CD2 4.41Å
806	Y	93.1	Very high	95.7	Very high	116 Å²	116	58.8 Å²	58.8	46%	0.455	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.8	170.7	179.9	-110.8	0	0	0	110.5	H154 N808 H809 Y811	H154-Y806 AromaticContact CE1-CE2 3.9Å; Y806-N808 VanDerWaalsContact C-N 3.28Å; Y806-N808 PolarHBondContact O-N 2.59Å; Y806-H809 PolarHBondContact N-O 3.09Å; Y806-H809 PolarHBondContact O-N 2.96Å; Y806-H809 VanDerWaalsContact O-O 3.1Å; Y806-Y811 HydrophobicContact CD1-CE2 4.38Å
807	N	93.8	Very high	95.8	Very high	107 Å²	107	53.8 Å²	53.8	57%	0.572	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	50.1	-174.9	-62.5	-6.7	0	0	0	112.8	H809	N807-H809 PolarHBondContact O-CE1 2.72Å; N807-H809 PolarHBondContact O-N 3.46Å; N807-H809 VanDerWaalsContact O-N 3.07Å; N807-H809 PolarHBondContact O-ND1 2.98Å
808	N	93.3	Very high	96	Very high	123 Å²	123	49.2 Å²	49.2	66%	0.658	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	7.7	-177.6	-64.8	-3	0	0	0	117.3	R788 Y806	R788-N808 PolarHBondContact NH1-O 3.06Å; Y806-N808 VanDerWaalsContact C-N 3.28Å; Y806-N808 PolarHBondContact O-N 2.59Å
809	H	95.6	Very high	96.2	Very high	60 Å²	60	46 Å²	46	28%	0.278	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.1	172.1	-57.1	91.4	0	0	0	110.4	R770 Q805 Y806 N807 Y811	R770-H809 WeakPolarHBondContact CA-CD2 3.31Å; R770-H809 HydrophobicContact CB-CB 3.91Å; Q805-H809 WeakPolarHBondContact CA-O 3.32Å; Y806-H809 PolarHBondContact N-O 3.09Å; Y806-H809 PolarHBondContact O-N 2.96Å; Y806-H809 VanDerWaalsContact O-O 3.1Å; N807-H809 PolarHBondContact O-CE1 2.72Å; N807-H809 PolarHBondContact O-N 3.46Å; N807-H809 VanDerWaalsContact O-N 3.07Å; N807-H809 PolarHBondContact O-ND1 2.98Å; H809-Y811 HydrophobicContact CB-CE2 3.99Å
810	L	97.1	Very high	96.3	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	149.6	174.4	-58.8	178.2	0	0	0	110.3	T768 T769 R788 M791 E792 I795 G804 Q805	T768-L810 CarbonylContact C-O 3.53Å; T768-L810 WeakPolarHBondContact CA-O 3.43Å; T768-L810 WeakPolarHBondContact CB-O 3.15Å; T768-L810 PolarHBondContact OG1-O 3.04Å; T769-L810 HydrophobicContact CG2-CB 3.94Å; T769-L810 HydrophobicContact CG2-CD1 4.38Å; T769-L810 HydrophobicContact CG2-CG 4.39Å; T769-L810 PolarHBondContact N-O 3.25Å; T769-L810 PolarHBondContact OG1-N 3.06Å; R788-L810 HydrophobicContact CG-CD1 3.93Å; R788-L810 HydrophobicContact CG-CG 4.4Å; M791-L810 HydrophobicContact CB-CD1 4.43Å; M791-L810 HydrophobicContact CE-CB 4.05Å; M791-L810 HydrophobicContact CG-CD1 4.35Å; M791-L810 HydrophobicContact SD-CB 3.95Å; E792-L810 HydrophobicContact CG-CD1 3.43Å; E792-L810 VanDerWaalsContact CG-CD1 3.43Å; I795-L810 HydrophobicContact CD1-CD1 4.35Å; G804-L810 WeakPolarHBondContact O-CA 3.34Å; Q805-L810 HydrophobicContact CB-CD2 3.94Å; Q805-L810 HydrophobicContact CG-CD2 4.41Å
811	Y	97.3	Very high	96.3	Very high	48 Å²	48	44 Å²	44	19%	0.188	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.2	173.5	-65.4	-95.5	0	0	0	108.2	H767 T768 R770 Y782 A803 G804 Y806 H809	H767-Y811 WeakPolarHBondContact O-CA 3.34Å; T768-Y811 HydrophobicContact CG2-CE1 4.29Å; T768-Y811 WeakPolarHBondContact OG1-CD1 3.17Å; T768-Y811 WeakPolarHBondContact OG1-CE1 3.35Å; R770-Y811 VanDerWaalsContact CD-OH 3.27Å; R770-Y811 WeakPolarHBondContact CD-OH 3.23Å; R770-Y811 PolarHBondContact NE-OH 2.76Å; R770-Y811 VanDerWaalsContact NE-OH 3.16Å; Y782-Y811 HydrophobicContact CD1-CD1 4.38Å; Y782-Y811 AromaticContact CE1-CD1 3.73Å; Y782-Y811 HydrophobicContact CE1-CD1 3.73Å; Y782-Y811 AromaticContact CE1-CE1 3.96Å; Y782-Y811 HydrophobicContact CE1-CE1 3.96Å; A803-Y811 CarbonylContact C-O 3.49Å; A803-Y811 VanDerWaalsContact CA-O 3.23Å; A803-Y811 WeakPolarHBondContact CA-O 3.38Å; G804-Y811 PolarHBondContact N-O 3.39Å; G804-Y811 PolarHBondContact O-N 3.34Å; Y806-Y811 HydrophobicContact CD1-CE2 4.38Å; H809-Y811 HydrophobicContact CB-CE2 3.99Å
812	G	95.9	Very high	96.3	Very high	8 Å²	8	44 Å²	44	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	160	174.6	0	0	0	0	0	114.2	H767 E802	H767-G812 PolarHBondContact N-O 3.47Å; H767-G812 PolarHBondContact O-N 3.1Å; E802-G812 CarbonylContact O-C 3.51Å; E802-G812 WeakPolarHBondContact O-CA 3.13Å
813	T	97.5	Very high	96.3	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.129	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.1	176.2	-60.9	0	0	0	0	109.1	C764 F800 I801 E802 V818 L830	C764-T813 WeakPolarHBondContact SG-CG2 3.35Å; F800-T813 WeakPolarHBondContact CA-O 3.5Å; F800-T813 VanDerWaalsContact CD1-C 3.47Å; F800-T813 WeakPolarHBondContact CD1-O 3.1Å; I801-T813 HydrophobicContact CD1-CG2 3.86Å; I801-T813 HydrophobicContact CG1-CG2 3.86Å; I801-T813 VanDerWaalsContact CG1-O 3.31Å; I801-T813 WeakPolarHBondContact CG1-O 3.48Å; I801-T813 PolarHBondContact N-O 3.06Å; E802-T813 PolarHBondContact O-N 3.04Å; T813-V818 HydrophobicContact CG2-CG2 3.78Å; T813-L830 HydrophobicContact CG2-CD2 4.28Å
814	S	97.6	Very high	96.3	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.063	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	150.4	179.7	83.7	0	0	0	0	111.3	H767 K799 Q816 S817 V818	H767-S814 PolarHBondContact CE1-OG 3.02Å; K799-S814 CarbonylContact O-C 3.52Å; K799-S814 VanDerWaalsContact O-CA 3.29Å; K799-S814 WeakPolarHBondContact O-CA 3.26Å; S814-Q816 PolarHBondContact O-N 3.02Å; S814-Q816 PolarHBondContact OG-N 2.71Å; S814-S817 WeakPolarHBondContact O-CB 3.3Å; S814-S817 PolarHBondContact O-N 2.6Å; S814-S817 VanDerWaalsContact O-N 3.13Å; S814-S817 PolarHBondContact OG-N 3.45Å; S814-S817 PolarHBondContact OG-OG 3.37Å; S814-V818 PolarHBondContact O-N 3.47Å
815	V	97.8	Very high	96.5	Very high	18 Å²	18	55.8 Å²	55.8	11%	0.109	28%	0.283	C	S	.	.	H	α-helix	trans	-54.1	-37.8	172.5	171.4	0	0	0	0	110.4	K799 I801 V818 R819 A843 L845	K799-V815 PolarHBondContact O-N 2.9Å; I801-V815 HydrophobicContact CG2-CG2 3.64Å; V815-V818 PolarHBondContact O-N 2.89Å; V815-R819 WeakPolarHBondContact O-CB 3.45Å; V815-R819 PolarHBondContact O-N 3.39Å; V815-A843 HydrophobicContact CG1-CB 3.72Å; V815-A843 HydrophobicContact CG2-CB 4.05Å; V815-L845 HydrophobicContact CG1-CD1 4.12Å
816	Q	97.2	Very high	96.6	Very high	98 Å²	98	54.2 Å²	54.2	46%	0.458	27%	0.274	S	S	.	.	H	α-helix	trans	-72.5	-34.1	-179.9	-167.4	57.4	32.4	0	0	112.7	S814 V818 R819 A820	S814-Q816 PolarHBondContact O-N 3.02Å; S814-Q816 PolarHBondContact OG-N 2.71Å; Q816-V818 VanDerWaalsContact C-N 3.3Å; Q816-V818 PolarHBondContact O-N 3.17Å; Q816-R819 PolarHBondContact O-N 3.09Å; Q816-A820 VanDerWaalsContact O-CB 3.26Å; Q816-A820 WeakPolarHBondContact O-CB 3.41Å; Q816-A820 PolarHBondContact O-N 3.09Å
817	S	97.8	Very high	96.8	Very high	11 Å²	11	49.3 Å²	49.3	8%	0.077	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-42.1	171.5	-70.3	0	0	0	0	111.5	C764 V765 H767 S814	C764-S817 WeakPolarHBondContact CB-O 3.46Å; V765-S817 VanDerWaalsContact O-CB 3.32Å; V765-S817 WeakPolarHBondContact O-CB 3.5Å; V765-S817 PolarHBondContact O-OG 2.97Å; H767-S817 PolarHBondContact CE1-OG 2.97Å; H767-S817 VanDerWaalsContact CE1-OG 3.25Å; S814-S817 WeakPolarHBondContact O-CB 3.3Å; S814-S817 PolarHBondContact O-N 2.6Å; S814-S817 VanDerWaalsContact O-N 3.13Å; S814-S817 PolarHBondContact OG-N 3.45Å; S814-S817 PolarHBondContact OG-OG 3.37Å
818	V	98.3	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-48	177.5	-174	0	0	0	0	111.2	P738 I801 T813 S814 V815 Q816 A820 V821 A822 C828 L830 L840 L845	P738-V818 HydrophobicContact CB-CG1 3.68Å; P738-V818 HydrophobicContact CG-CG1 4.07Å; I801-V818 HydrophobicContact CD1-CG2 3.84Å; I801-V818 HydrophobicContact CG1-CG2 4.47Å; T813-V818 HydrophobicContact CG2-CG2 3.78Å; S814-V818 PolarHBondContact O-N 3.47Å; V815-V818 PolarHBondContact O-N 2.89Å; Q816-V818 VanDerWaalsContact C-N 3.3Å; Q816-V818 PolarHBondContact O-N 3.17Å; V818-A820 VanDerWaalsContact C-N 3.3Å; V818-A820 PolarHBondContact O-N 2.87Å; V818-V821 PolarHBondContact O-N 2.88Å; V818-A822 PolarHBondContact O-N 3.44Å; V818-A822 VanDerWaalsContact O-N 3.12Å; V818-C828 HydrophobicContact CG1-CB 3.95Å; V818-L830 HydrophobicContact CG1-CD1 4.16Å; V818-L830 HydrophobicContact CG2-CD1 4.25Å; V818-L830 HydrophobicContact CG2-CD2 3.9Å; V818-L840 HydrophobicContact CB-CD2 4.5Å; V818-L840 HydrophobicContact CG1-CD2 4.09Å; V818-L840 HydrophobicContact CG2-CD2 4.5Å; V818-L845 HydrophobicContact CB-CD1 4.29Å; V818-L845 HydrophobicContact CG1-CD1 4.22Å
819	R	97.4	Very high	97.3	Very high	78 Å²	78	38.8 Å²	38.8	29%	0.294	20%	0.199	S	C	.	.	H	α-helix	trans	-56.2	-43.6	178.4	-177.5	179	-67.2	133.1	-5.4	111.8	V815 Q816 V821 A822 E823 L845	V815-R819 WeakPolarHBondContact O-CB 3.45Å; V815-R819 PolarHBondContact O-N 3.39Å; Q816-R819 PolarHBondContact O-N 3.09Å; R819-V821 PolarHBondContact O-N 3.06Å; R819-V821 VanDerWaalsContact O-N 3.07Å; R819-A822 PolarHBondContact O-N 2.76Å; R819-A822 VanDerWaalsContact O-N 3.12Å; R819-E823 VanDerWaalsContact CD-OE1 3.24Å; R819-E823 WeakPolarHBondContact CD-OE1 3.37Å; R819-E823 HydrophobicContact CG-CG 3.94Å; R819-E823 VanDerWaalsContact CG-OE1 3.23Å; R819-E823 WeakPolarHBondContact CG-OE1 3.33Å; R819-E823 WeakPolarHBondContact O-CB 3.49Å; R819-E823 WeakPolarHBondContact O-CG 3.36Å; R819-E823 PolarHBondContact O-N 3.34Å; R819-L845 HydrophobicContact CB-CD1 4.44Å; R819-L845 HydrophobicContact CB-CD2 4.46Å
820	A	97.1	Very high	97.4	Very high	31 Å²	31	36.1 Å²	36.1	26%	0.256	19%	0.187	S	C	.	.	H	α-helix	trans	-69.3	-1.3	179	0	0	0	0	0	115.2	Q816 V818 K824	Q816-A820 VanDerWaalsContact O-CB 3.26Å; Q816-A820 WeakPolarHBondContact O-CB 3.41Å; Q816-A820 PolarHBondContact O-N 3.09Å; V818-A820 VanDerWaalsContact C-N 3.3Å; V818-A820 PolarHBondContact O-N 2.87Å; A820-K824 VanDerWaalsContact O-CD 3.24Å; A820-K824 WeakPolarHBondContact O-CD 3.34Å; A820-K824 WeakPolarHBondContact O-CE 3.49Å; A820-K824 PolarHBondContact O-NZ 2.76Å
821	V	97.9	Very high	97.2	Very high	17 Å²	17	39.4 Å²	39.4	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-102	-44.4	166	178.5	0	0	0	0	110.1	C764 V818 R819 E823 K824 K826 C828	C764-V821 HydrophobicContact CB-CG2 3.87Å; V818-V821 PolarHBondContact O-N 2.88Å; R819-V821 PolarHBondContact O-N 3.06Å; R819-V821 VanDerWaalsContact O-N 3.07Å; V821-E823 VanDerWaalsContact C-N 3.33Å; V821-E823 PolarHBondContact O-N 3.24Å; V821-K824 WeakPolarHBondContact O-CB 3.42Å; V821-K824 PolarHBondContact O-N 2.99Å; V821-K826 CarbonylContact C-O 3.53Å; V821-K826 HydrophobicContact CG1-CB 4.04Å; V821-K826 PolarHBondContact O-N 2.96Å; V821-C828 HydrophobicContact CB-CB 3.89Å; V821-C828 HydrophobicContact CG1-CB 3.81Å
822	A	96.9	Very high	97.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-57.2	-41.1	175.9	0	0	0	0	0	113.4	Y735 T736 V818 R819 K824 G825	Y735-A822 HydrophobicContact CD2-CB 4.12Å; T736-A822 PolarHBondContact N-O 2.63Å; T736-A822 VanDerWaalsContact N-O 3.09Å; T736-A822 WeakPolarHBondContact O-CA 3.22Å; T736-A822 WeakPolarHBondContact O-CB 3.43Å; V818-A822 PolarHBondContact O-N 3.44Å; V818-A822 VanDerWaalsContact O-N 3.12Å; R819-A822 PolarHBondContact O-N 2.76Å; R819-A822 VanDerWaalsContact O-N 3.12Å; A822-K824 PolarHBondContact O-N 3.47Å; A822-G825 PolarHBondContact O-N 2.69Å
823	E	95.7	Very high	97	Very high	122 Å²	122	38.8 Å²	38.8	57%	0.57	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.2	176.4	-71.2	170.9	160.8	0	0	113.4	R819 V821 G825	R819-E823 VanDerWaalsContact CD-OE1 3.24Å; R819-E823 WeakPolarHBondContact CD-OE1 3.37Å; R819-E823 HydrophobicContact CG-CG 3.94Å; R819-E823 VanDerWaalsContact CG-OE1 3.23Å; R819-E823 WeakPolarHBondContact CG-OE1 3.33Å; R819-E823 WeakPolarHBondContact O-CB 3.49Å; R819-E823 WeakPolarHBondContact O-CG 3.36Å; R819-E823 PolarHBondContact O-N 3.34Å; V821-E823 VanDerWaalsContact C-N 3.33Å; V821-E823 PolarHBondContact O-N 3.24Å; E823-G825 VanDerWaalsContact C-N 3.3Å
824	K	96.3	Very high	96.7	Very high	154 Å²	154	37.8 Å²	37.8	67%	0.67	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	10.9	174.7	-64.6	175.6	-177.1	138.1	0	112.8	A820 V821 A822 K826	A820-K824 VanDerWaalsContact O-CD 3.24Å; A820-K824 WeakPolarHBondContact O-CD 3.34Å; A820-K824 WeakPolarHBondContact O-CE 3.49Å; A820-K824 PolarHBondContact O-NZ 2.76Å; V821-K824 WeakPolarHBondContact O-CB 3.42Å; V821-K824 PolarHBondContact O-N 2.99Å; A822-K824 PolarHBondContact O-N 3.47Å; K824-K826 VanDerWaalsContact C-N 3.32Å
825	G	96.5	Very high	96.5	Very high	46 Å²	46	40.4 Å²	40.4	47%	0.474	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	15.9	-178.3	0	0	0	0	0	114.4	T736 A822 E823	T736-G825 VanDerWaalsContact OG1-CA 3.23Å; T736-G825 WeakPolarHBondContact OG1-CA 3.24Å; T736-G825 PolarHBondContact OG1-O 3.39Å; A822-G825 PolarHBondContact O-N 2.69Å; E823-G825 VanDerWaalsContact C-N 3.3Å
826	K	98.2	Very high	96.4	Very high	59 Å²	59	39.5 Å²	39.5	26%	0.257	21%	0.207	S	C	.	.			trans	-117	139.2	-176.4	-59	-161	178.6	-169.1	0	112.2	T736 P758 D759 K760 V821 K824 C828	T736-K826 VanDerWaalsContact CG2-C 3.47Å; P758-K826 PolarHBondContact O-NZ 3.23Å; D759-K826 WeakPolarHBondContact O-CE 3.5Å; D759-K826 IonicContact OD1-NZ 2.71Å; D759-K826 PolarHBondContact OD1-NZ 3.12Å; K760-K826 CarbonylContact O-C 3.52Å; K760-K826 WeakPolarHBondContact O-CA 3.37Å; V821-K826 CarbonylContact C-O 3.53Å; V821-K826 HydrophobicContact CG1-CB 4.04Å; V821-K826 PolarHBondContact O-N 2.96Å; K824-K826 VanDerWaalsContact C-N 3.32Å; K826-C828 PolarHBondContact O-N 2.83Å
827	H	98.6	Very high	96.4	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.06	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	112.5	169.7	-71.1	-74.3	0	0	0	109.3	T736 R737 V739 K760 F761 G762 I829 S914	T736-H827 HydrophobicContact CG2-CB 4.3Å; T736-H827 VanDerWaalsContact CG2-CE1 3.46Å; T736-H827 WeakPolarHBondContact CG2-CE1 3.48Å; T736-H827 WeakPolarHBondContact CG2-ND1 3.41Å; R737-H827 PolarHBondContact O-ND1 3.04Å; V739-H827 HydrophobicContact CG2-CB 3.92Å; K760-H827 PolarHBondContact O-N 3.42Å; F761-H827 WeakPolarHBondContact CA-O 3.3Å; F761-H827 HydrophobicContact CD1-CB 3.45Å; F761-H827 VanDerWaalsContact CD1-CB 3.45Å; F761-H827 HydrophobicContact CE1-CB 3.73Å; F761-H827 HydrophobicContact CG-CB 4.31Å; G762-H827 PolarHBondContact N-O 3.26Å; H827-I829 PolarHBondContact O-N 3.49Å; H827-I829 VanDerWaalsContact O-N 3.15Å; H827-S914 PolarHBondContact CE1-OG 3.07Å; H827-S914 PolarHBondContact NE2-OG 3.49Å
828	C	98.5	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	105.8	173.5	-168.4	0	0	0	0	109.5	P738 V739 G762 C764 V818 V821 K826	P738-C828 CarbonylContact C-O 3.58Å; P738-C828 WeakPolarHBondContact CA-O 3.32Å; P738-C828 HydrophobicContact CB-CB 4.05Å; V739-C828 PolarHBondContact N-O 2.96Å; G762-C828 CarbonylContact O-C 3.23Å; G762-C828 VanDerWaalsContact O-CA 3.31Å; G762-C828 WeakPolarHBondContact O-CA 3.42Å; C764-C828 VanDerWaalsContact CB-SG 3.55Å; V818-C828 HydrophobicContact CG1-CB 3.95Å; V821-C828 HydrophobicContact CB-CB 3.89Å; V821-C828 HydrophobicContact CG1-CB 3.81Å; K826-C828 PolarHBondContact O-N 2.83Å
829	I	98.3	Very high	96	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.041	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129	172.5	-68.1	-77.8	0	0	0	108.1	V739 N750 L753 I754 F761 G762 H827	V739-I829 HydrophobicContact CB-CD1 3.93Å; V739-I829 HydrophobicContact CG1-CD1 3.85Å; N750-I829 HydrophobicContact CB-CG2 3.8Å; L753-I829 HydrophobicContact CD1-CD1 3.98Å; I754-I829 HydrophobicContact CD1-CB 4.03Å; I754-I829 HydrophobicContact CD1-CG1 4.32Å; I754-I829 HydrophobicContact CD1-CG2 3.95Å; I754-I829 HydrophobicContact CG1-CB 4.3Å; I754-I829 HydrophobicContact CG1-CG1 4.05Å; F761-I829 HydrophobicContact CB-CG1 4.15Å; F761-I829 HydrophobicContact CD1-CD1 3.76Å; F761-I829 HydrophobicContact CD1-CG1 3.78Å; F761-I829 HydrophobicContact CE1-CD1 4.26Å; F761-I829 HydrophobicContact CG-CG1 4.34Å; G762-I829 PolarHBondContact O-N 3.29Å; H827-I829 PolarHBondContact O-N 3.49Å; H827-I829 VanDerWaalsContact O-N 3.15Å
830	L	97.7	Very high	96	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.7	-174.1	-64.4	174.9	0	0	0	111.4	P738 V739 I740 C764 I801 T813 V818 V832 L840	P738-L830 HydrophobicContact CB-CD1 3.98Å; V739-L830 PolarHBondContact O-N 2.99Å; I740-L830 HydrophobicContact CD1-CD1 4.32Å; I740-L830 HydrophobicContact CG1-CB 3.91Å; I740-L830 HydrophobicContact CG1-CD1 4.09Å; C764-L830 VanDerWaalsContact SG-CD2 3.57Å; I801-L830 HydrophobicContact CD1-CD1 3.8Å; I801-L830 HydrophobicContact CD1-CD2 4.3Å; T813-L830 HydrophobicContact CG2-CD2 4.28Å; V818-L830 HydrophobicContact CG1-CD1 4.16Å; V818-L830 HydrophobicContact CG2-CD1 4.25Å; V818-L830 HydrophobicContact CG2-CD2 3.9Å; L830-V832 HydrophobicContact CB-CG1 4.43Å; L830-V832 HydrophobicContact CB-CG2 3.88Å; L830-V832 PolarHBondContact O-N 2.91Å; L830-L840 HydrophobicContact CD1-CD1 3.68Å
831	D	93.9	Very high	95.8	Very high	82 Å²	82	37.5 Å²	37.5	44%	0.439	19%	0.191	S	C	.	.			trans	-89.6	93.4	164.8	-171.1	17.5	0	0	0	109.7	K746	K746-D831 IonicContact NZ-OD1 2.78Å; K746-D831 PolarHBondContact NZ-OD1 3.32Å; K746-D831 IonicContact NZ-OD2 3.51Å
832	V	94.4	Very high	95.6	Very high	10 Å²	10	43.3 Å²	43.3	6%	0.061	22%	0.22	C	C	.	.			trans	-148.5	163.5	-174.2	-67.9	0	0	0	0	110.7	I740 I801 E802 L830 A836	I740-V832 HydrophobicContact CD1-CG2 3.75Å; I740-V832 HydrophobicContact CG1-CG2 3.86Å; I740-V832 HydrophobicContact CG2-CG2 4.49Å; I801-V832 HydrophobicContact CD1-CG1 4.22Å; E802-V832 HydrophobicContact CB-CG1 4.2Å; E802-V832 VanDerWaalsContact OE1-CA 3.32Å; E802-V832 WeakPolarHBondContact OE1-CA 3.31Å; L830-V832 HydrophobicContact CB-CG1 4.43Å; L830-V832 HydrophobicContact CB-CG2 3.88Å; L830-V832 PolarHBondContact O-N 2.91Å; V832-A836 HydrophobicContact CB-CB 3.78Å; V832-A836 HydrophobicContact CG1-CB 4.41Å; V832-A836 HydrophobicContact CG2-CB 3.5Å; V832-A836 VanDerWaalsContact CG2-CB 3.5Å
833	S	93	Very high	95.5	Very high	33 Å²	33	44.3 Å²	44.3	23%	0.231	23%	0.228	C	C	.	.			trans	-74.1	163.9	172.2	77.9	0	0	0	0	113.1	E802 N835 A836	E802-S833 PolarHBondContact OE1-N 3.23Å; E802-S833 WeakPolarHBondContact OE2-CA 3.4Å; E802-S833 WeakPolarHBondContact OE2-CB 3.4Å; E802-S833 PolarHBondContact OE2-N 3.22Å; E802-S833 PolarHBondContact OE2-OG 3.41Å; S833-N835 PolarHBondContact O-N 3.3Å; S833-A836 WeakPolarHBondContact O-CB 3.26Å; S833-A836 PolarHBondContact O-N 2.58Å
834	G	92.1	Very high	95.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.5	177.1	0	0	0	0	0	114.8	A836 I837	G834-A836 PolarHBondContact O-N 2.84Å; G834-I837 WeakPolarHBondContact O-CB 3.39Å; G834-I837 WeakPolarHBondContact O-CG1 3.16Å; G834-I837 PolarHBondContact O-N 3.21Å
835	N	94.1	Very high	95.4	Very high	63 Å²	63	36 Å²	36	34%	0.337	19%	0.192	S	C	.	.	H	α-helix	trans	-65.9	-26.4	174.7	-71.9	-48.7	0	0	0	113	S833 I837 K838 R839 F886	S833-N835 PolarHBondContact O-N 3.3Å; N835-I837 PolarHBondContact O-N 3.3Å; N835-K838 PolarHBondContact O-N 2.74Å; N835-R839 PolarHBondContact O-N 2.78Å; N835-F886 WeakPolarHBondContact OD1-CE1 3.47Å
836	A	95.8	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-26	175.4	0	0	0	0	0	112.8	I740 I801 V832 S833 G834 K838 R839 L840	I740-A836 HydrophobicContact CD1-CB 4.31Å; I801-A836 HydrophobicContact CB-CB 4.4Å; I801-A836 HydrophobicContact CD1-CB 4.29Å; V832-A836 HydrophobicContact CB-CB 3.78Å; V832-A836 HydrophobicContact CG1-CB 4.41Å; V832-A836 HydrophobicContact CG2-CB 3.5Å; V832-A836 VanDerWaalsContact CG2-CB 3.5Å; S833-A836 WeakPolarHBondContact O-CB 3.26Å; S833-A836 PolarHBondContact O-N 2.58Å; G834-A836 PolarHBondContact O-N 2.84Å; A836-K838 PolarHBondContact O-N 2.72Å; A836-R839 PolarHBondContact O-N 3.41Å; A836-L840 WeakPolarHBondContact O-CG 3.4Å; A836-L840 PolarHBondContact O-N 3.21Å
837	I	96.1	Very high	95.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-58.8	-49.5	177.1	-55.9	169.4	0	0	0	109.9	I740 L742 G834 N835 R839 L840 Q841 P847 H889 F890	I740-I837 HydrophobicContact CD1-CG1 3.83Å; I740-I837 HydrophobicContact CG2-CG1 4.38Å; L742-I837 HydrophobicContact CD1-CD1 4.07Å; G834-I837 WeakPolarHBondContact O-CB 3.39Å; G834-I837 WeakPolarHBondContact O-CG1 3.16Å; G834-I837 PolarHBondContact O-N 3.21Å; N835-I837 PolarHBondContact O-N 3.3Å; I837-R839 PolarHBondContact O-N 3.14Å; I837-L840 PolarHBondContact O-N 2.96Å; I837-Q841 WeakPolarHBondContact O-CG 3.48Å; I837-Q841 PolarHBondContact O-N 3.4Å; I837-P847 HydrophobicContact CG2-CG 3.92Å; I837-H889 HydrophobicContact CD1-CB 4.24Å; I837-H889 HydrophobicContact CG2-CB 3.99Å; I837-F890 HydrophobicContact CD1-CD1 4.41Å
838	K	93.7	Very high	95.3	Very high	78 Å²	78	32.3 Å²	32.3	34%	0.339	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-44.5	177	-67.1	170.5	178.1	168.4	0	111.5	N835 A836 Q841 I842 H889	N835-K838 PolarHBondContact O-N 2.74Å; A836-K838 PolarHBondContact O-N 2.72Å; K838-Q841 PolarHBondContact O-N 3.26Å; K838-I842 WeakPolarHBondContact O-CG1 3.37Å; K838-I842 PolarHBondContact O-N 2.85Å; K838-H889 WeakPolarHBondContact CE-CE1 3.29Å; K838-H889 WeakPolarHBondContact CE-NE2 3.3Å; K838-H889 WeakPolarHBondContact CG-NE2 3.43Å
839	R	94.8	Very high	95.3	Very high	54 Å²	54	32.3 Å²	32.3	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-36.5	179.1	-60.2	-155	-166	168.1	2.1	112.7	F800 I801 N835 A836 I837 I842 A843	F800-R839 VanDerWaalsContact O-CD 3.26Å; F800-R839 WeakPolarHBondContact O-CD 3.46Å; F800-R839 PolarHBondContact O-NH1 3.11Å; I801-R839 HydrophobicContact CB-CB 4.37Å; I801-R839 HydrophobicContact CG2-CB 4.43Å; I801-R839 WeakPolarHBondContact O-CD 3.1Å; N835-R839 PolarHBondContact O-N 2.78Å; A836-R839 PolarHBondContact O-N 3.41Å; I837-R839 PolarHBondContact O-N 3.14Å; R839-I842 PolarHBondContact O-N 3.21Å; R839-A843 VanDerWaalsContact O-CB 3.28Å; R839-A843 WeakPolarHBondContact O-CB 3.44Å; R839-A843 PolarHBondContact O-N 2.95Å
840	L	96.4	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.4	-33.6	175	-72.5	165.5	0	0	0	113	P738 I740 I801 V818 L830 A836 I837 A843 Q844 L845 Y846 P847	P738-L840 HydrophobicContact CG-CD1 4.33Å; P738-L840 HydrophobicContact CG-CD2 4.36Å; I740-L840 HydrophobicContact CD1-CD1 3.65Å; I801-L840 HydrophobicContact CB-CG 4.47Å; I801-L840 HydrophobicContact CD1-CD1 4.26Å; I801-L840 HydrophobicContact CD1-CD2 4.36Å; I801-L840 HydrophobicContact CD1-CG 4.36Å; I801-L840 HydrophobicContact CG2-CD2 3.72Å; I801-L840 HydrophobicContact CG2-CG 3.94Å; V818-L840 HydrophobicContact CB-CD2 4.5Å; V818-L840 HydrophobicContact CG1-CD2 4.09Å; V818-L840 HydrophobicContact CG2-CD2 4.5Å; L830-L840 HydrophobicContact CD1-CD1 3.68Å; A836-L840 WeakPolarHBondContact O-CG 3.4Å; A836-L840 PolarHBondContact O-N 3.21Å; I837-L840 PolarHBondContact O-N 2.96Å; L840-A843 CarbonylContact O-C 3.52Å; L840-A843 PolarHBondContact O-N 3.16Å; L840-Q844 PolarHBondContact O-N 3.4Å; L840-L845 HydrophobicContact CB-CB 4.46Å; L840-L845 HydrophobicContact CD2-CB 3.97Å; L840-L845 HydrophobicContact CD2-CD1 3.75Å; L840-L845 PolarHBondContact O-N 2.79Å; L840-Y846 PolarHBondContact O-N 3.02Å; L840-P847 HydrophobicContact CB-CG 4.07Å; L840-P847 HydrophobicContact CD1-CB 4.11Å; L840-P847 HydrophobicContact CD1-CG 4.09Å
841	Q	93.5	Very high	95.3	Very high	43 Å²	43	31.8 Å²	31.8	20%	0.201	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-46.4	171.2	-70.9	168.4	-28.9	0	0	111.1	I837 K838 A843 Q844 Y846	I837-Q841 WeakPolarHBondContact O-CG 3.48Å; I837-Q841 PolarHBondContact O-N 3.4Å; K838-Q841 PolarHBondContact O-N 3.26Å; Q841-A843 VanDerWaalsContact C-N 3.31Å; Q841-A843 PolarHBondContact O-N 3.18Å; Q841-Q844 PolarHBondContact O-N 3.02Å; Q841-Q844 PolarHBondContact O-NE2 2.88Å; Q841-Y846 HydrophobicContact CB-CD1 4.47Å; Q841-Y846 HydrophobicContact CB-CE1 4.41Å; Q841-Y846 HydrophobicContact CG-CD1 4.14Å; Q841-Y846 HydrophobicContact CG-CE1 4.45Å
842	I	92.8	Very high	95.5	Very high	139 Å²	139	27.9 Å²	27.9	71%	0.713	14%	0.139	S	C	*	.	H	α-helix	trans	-59.6	-41.9	174.1	-66.7	164.5	0	0	0	110.9	K838 R839 Q844	K838-I842 WeakPolarHBondContact O-CG1 3.37Å; K838-I842 PolarHBondContact O-N 2.85Å; R839-I842 PolarHBondContact O-N 3.21Å; I842-Q844 PolarHBondContact O-N 3.35Å; I842-Q844 VanDerWaalsContact O-N 3.16Å
843	A	94.6	Very high	95.7	Very high	21 Å²	21	30.4 Å²	30.4	17%	0.174	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	4.4	176.3	0	0	0	0	0	115	V815 R839 L840 Q841 L845	V815-A843 HydrophobicContact CG1-CB 3.72Å; V815-A843 HydrophobicContact CG2-CB 4.05Å; R839-A843 VanDerWaalsContact O-CB 3.28Å; R839-A843 WeakPolarHBondContact O-CB 3.44Å; R839-A843 PolarHBondContact O-N 2.95Å; L840-A843 CarbonylContact O-C 3.52Å; L840-A843 PolarHBondContact O-N 3.16Å; Q841-A843 VanDerWaalsContact C-N 3.31Å; Q841-A843 PolarHBondContact O-N 3.18Å; A843-L845 VanDerWaalsContact C-N 3.26Å; A843-L845 PolarHBondContact O-N 2.87Å
844	Q	94.8	Very high	95.8	Very high	99 Å²	99	29 Å²	29	46%	0.463	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	32.1	-179.4	-57.2	-70	-89.2	0	0	113.9	Y735 L840 Q841 I842 Y846	Y735-Q844 PolarHBondContact OH-O 3.05Å; L840-Q844 PolarHBondContact O-N 3.4Å; Q841-Q844 PolarHBondContact O-N 3.02Å; Q841-Q844 PolarHBondContact O-NE2 2.88Å; I842-Q844 PolarHBondContact O-N 3.35Å; I842-Q844 VanDerWaalsContact O-N 3.16Å; Q844-Y846 HydrophobicContact CB-CE2 4.33Å; Q844-Y846 PolarHBondContact NE2-OH 3.47Å
845	L	95.7	Very high	95.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	16%	0.158	C	C	.	.			trans	-103.7	-13	176.4	-70.8	175.2	0	0	0	113.7	Y735 P738 V815 V818 R819 L840 A843	Y735-L845 HydrophobicContact CD2-CD2 4.28Å; Y735-L845 HydrophobicContact CE2-CD2 4.2Å; Y735-L845 VanDerWaalsContact CE2-O 3.27Å; Y735-L845 WeakPolarHBondContact CE2-O 3.17Å; Y735-L845 WeakPolarHBondContact OH-CA 3.16Å; Y735-L845 PolarHBondContact OH-O 3.26Å; Y735-L845 VanDerWaalsContact OH-O 3.1Å; P738-L845 VanDerWaalsContact CD-O 3.23Å; P738-L845 WeakPolarHBondContact CD-O 3.26Å; P738-L845 HydrophobicContact CG-CB 4.27Å; V815-L845 HydrophobicContact CG1-CD1 4.12Å; V818-L845 HydrophobicContact CB-CD1 4.29Å; V818-L845 HydrophobicContact CG1-CD1 4.22Å; R819-L845 HydrophobicContact CB-CD1 4.44Å; R819-L845 HydrophobicContact CB-CD2 4.46Å; L840-L845 HydrophobicContact CB-CB 4.46Å; L840-L845 HydrophobicContact CD2-CB 3.97Å; L840-L845 HydrophobicContact CD2-CD1 3.75Å; L840-L845 PolarHBondContact O-N 2.79Å; A843-L845 VanDerWaalsContact C-N 3.26Å; A843-L845 PolarHBondContact O-N 2.87Å
846	Y	96	Very high	95.9	Very high	33 Å²	33	32 Å²	32	13%	0.129	15%	0.154	C	C	.	.			trans	39.5	75	166.9	-66.4	-74.9	0	0	0	115.8	R737 L840 Q841 Q844 I918 V920	R737-Y846 PolarHBondContact NE-O 3.12Å; L840-Y846 PolarHBondContact O-N 3.02Å; Q841-Y846 HydrophobicContact CB-CD1 4.47Å; Q841-Y846 HydrophobicContact CB-CE1 4.41Å; Q841-Y846 HydrophobicContact CG-CD1 4.14Å; Q841-Y846 HydrophobicContact CG-CE1 4.45Å; Q844-Y846 HydrophobicContact CB-CE2 4.33Å; Q844-Y846 PolarHBondContact NE2-OH 3.47Å; Y846-I918 HydrophobicContact CD2-CD1 4.15Å; Y846-I918 HydrophobicContact CG-CD1 4.09Å; Y846-V920 HydrophobicContact CD1-CB 4.17Å; Y846-V920 HydrophobicContact CD1-CG1 3.58Å; Y846-V920 HydrophobicContact CD2-CG1 4Å; Y846-V920 HydrophobicContact CE1-CB 3.77Å; Y846-V920 HydrophobicContact CE1-CG1 3.6Å; Y846-V920 HydrophobicContact CE2-CG1 4Å; Y846-V920 HydrophobicContact CG-CG1 3.78Å
847	P	97.6	Very high	95.9	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.039	16%	0.163	C	C	.	.			trans	-65.1	160.7	-172.5	28.3	-35	0	0	0	113	R737 P738 I740 I837 L840	R737-P847 PolarHBondContact NH2-O 2.97Å; P738-P847 HydrophobicContact CG-CB 4.09Å; P738-P847 CarbonylContact O-C 3.48Å; P738-P847 WeakPolarHBondContact O-CA 3.39Å; P738-P847 WeakPolarHBondContact O-CB 3.27Å; I740-P847 HydrophobicContact CD1-CB 4.37Å; I740-P847 HydrophobicContact CD1-CG 4.5Å; I837-P847 HydrophobicContact CG2-CG 3.92Å; L840-P847 HydrophobicContact CB-CG 4.07Å; L840-P847 HydrophobicContact CD1-CB 4.11Å; L840-P847 HydrophobicContact CD1-CG 4.09Å
848	I	98.1	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	109.2	158.7	-53.8	170.1	0	0	0	105.8	R737 P738 V739 I740 V850 T891 V909 I910 Q913	R737-I848 HydrophobicContact CB-CD1 4.1Å; R737-I848 HydrophobicContact CB-CG1 3.93Å; P738-I848 PolarHBondContact O-N 3.19Å; V739-I848 WeakPolarHBondContact CA-O 3.24Å; V739-I848 HydrophobicContact CG2-CB 4.26Å; V739-I848 HydrophobicContact CG2-CD1 4.27Å; I740-I848 PolarHBondContact N-O 2.93Å; I848-V850 HydrophobicContact CG2-CG2 4.02Å; I848-T891 HydrophobicContact CG2-CG2 4.42Å; I848-V909 HydrophobicContact CG2-CG1 4.44Å; I848-I910 HydrophobicContact CD1-CG2 4.2Å; I848-I910 HydrophobicContact CG2-CG1 4.35Å; I848-Q913 HydrophobicContact CD1-CB 3.77Å; I848-Q913 HydrophobicContact CG1-CB 3.9Å; I848-Q913 HydrophobicContact CG2-CB 4.09Å; I848-Q913 HydrophobicContact CG2-CG 4.47Å
849	S	97.9	Very high	95.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	106.4	-175.1	-60.8	0	0	0	0	110	I740 F890 T891 A892	I740-S849 CarbonylContact O-C 3.49Å; I740-S849 WeakPolarHBondContact O-CA 3.43Å; S849-F890 CarbonylContact O-C 3.43Å; S849-T891 PolarHBondContact N-OG1 3.02Å; S849-T891 PolarHBondContact O-N 3.38Å; S849-A892 PolarHBondContact O-N 3.05Å
850	V	98.4	Very high	95.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.6	-174.8	-167.3	0	0	0	0	110	I740 I741 L742 I848 V894 V906 V909	I740-V850 PolarHBondContact O-N 3.19Å; I741-V850 WeakPolarHBondContact CA-O 3.5Å; L742-V850 PolarHBondContact N-O 2.95Å; I848-V850 HydrophobicContact CG2-CG2 4.02Å; V850-V894 HydrophobicContact CG1-CB 4.24Å; V850-V894 HydrophobicContact CG1-CG2 3.57Å; V850-V906 HydrophobicContact CG1-CG2 4.05Å; V850-V909 HydrophobicContact CG2-CG1 3.77Å
851	F	98.4	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.6	175.9	176.8	-115.5	0	0	0	111.2	L742 K853 A879 L882 E883 F890 A892 I893 V894	L742-F851 HydrophobicContact CB-CD2 4.09Å; F851-K853 HydrophobicContact CD1-CB 4.02Å; F851-K853 HydrophobicContact CE1-CB 3.69Å; F851-K853 HydrophobicContact CE1-CD 4.49Å; F851-K853 HydrophobicContact CE1-CG 4Å; F851-K853 PolarHBondContact O-N 3.01Å; F851-A879 HydrophobicContact CE2-CB 4.48Å; F851-A879 HydrophobicContact CZ-CB 4.22Å; F851-A879 VanDerWaalsContact CZ-O 3.31Å; F851-A879 WeakPolarHBondContact CZ-O 3.43Å; F851-L882 HydrophobicContact CE2-CB 4Å; F851-E883 HydrophobicContact CE1-CB 3.72Å; F851-E883 HydrophobicContact CE1-CG 4.02Å; F851-E883 HydrophobicContact CZ-CB 3.91Å; F851-F890 HydrophobicContact CB-CD1 4.11Å; F851-F890 HydrophobicContact CB-CD2 3.39Å; F851-F890 HydrophobicContact CB-CE1 4.1Å; F851-F890 HydrophobicContact CB-CE2 3.37Å; F851-F890 HydrophobicContact CB-CG 3.79Å; F851-F890 HydrophobicContact CB-CZ 3.74Å; F851-F890 HydrophobicContact CD1-CD2 4.13Å; F851-F890 AromaticContact CD1-CE2 3.63Å; F851-F890 HydrophobicContact CD1-CE2 3.63Å; F851-F890 HydrophobicContact CD1-CZ 4.38Å; F851-F890 AromaticContact CD2-CE2 3.98Å; F851-F890 HydrophobicContact CD2-CE2 3.98Å; F851-F890 AromaticContact CD2-CZ 3.9Å; F851-F890 HydrophobicContact CD2-CZ 3.9Å; F851-F890 HydrophobicContact CE1-CE2 4.42Å; F851-F890 AromaticContact CG-CD2 3.9Å; F851-F890 HydrophobicContact CG-CD2 3.9Å; F851-F890 AromaticContact CG-CE2 3.38Å; F851-F890 HydrophobicContact CG-CE2 3.38Å; F851-F890 AromaticContact CG-CZ 3.75Å; F851-F890 HydrophobicContact CG-CZ 3.75Å; F851-A892 PolarHBondContact N-O 3.26Å; F851-I893 HydrophobicContact CD1-CG1 4.32Å; F851-I893 HydrophobicContact CD1-CG2 4.11Å; F851-I893 CarbonylContact O-C 3.47Å; F851-I893 WeakPolarHBondContact O-CA 3.23Å; F851-V894 PolarHBondContact O-N 3.05Å
852	I	98.2	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	106.9	172.9	-58.7	171.4	0	0	0	107.6	I741 L742 P744 V749 P854 I902 V906	I741-I852 HydrophobicContact CG2-CD1 3.63Å; I741-I852 HydrophobicContact CG2-CG1 4.12Å; L742-I852 PolarHBondContact O-N 3.22Å; P744-I852 WeakPolarHBondContact CD-O 3.4Å; P744-I852 WeakPolarHBondContact O-CD1 3.48Å; V749-I852 HydrophobicContact CG2-CD1 4.22Å; I852-P854 WeakPolarHBondContact O-CD 3.37Å; I852-I902 HydrophobicContact CD1-CG2 3.84Å; I852-I902 HydrophobicContact CG1-CG2 3.93Å; I852-I902 HydrophobicContact CG2-CD1 4.05Å; I852-I902 HydrophobicContact CG2-CG2 3.89Å; I852-V906 HydrophobicContact CG1-CG2 4.5Å
853	K	96.9	Very high	95.4	Very high	62 Å²	62	34.5 Å²	34.5	27%	0.27	17%	0.168	S	C	.	.			trans	-94.7	111.4	-178.7	-175.9	174.2	178.2	165.3	0	110.9	F851 E883 I893 V894 Q895	F851-K853 HydrophobicContact CD1-CB 4.02Å; F851-K853 HydrophobicContact CE1-CB 3.69Å; F851-K853 HydrophobicContact CE1-CD 4.49Å; F851-K853 HydrophobicContact CE1-CG 4Å; F851-K853 PolarHBondContact O-N 3.01Å; K853-E883 WeakPolarHBondContact CE-OE1 3.41Å; K853-E883 WeakPolarHBondContact CE-OE2 3.4Å; K853-E883 VanDerWaalsContact NZ-CD 3.28Å; K853-E883 IonicContact NZ-OE1 2.74Å; K853-E883 PolarHBondContact NZ-OE1 2.67Å; K853-E883 IonicContact NZ-OE2 3.21Å; K853-E883 PolarHBondContact NZ-OE2 2.77Å; K853-E883 VanDerWaalsContact NZ-OE2 3.1Å; K853-I893 HydrophobicContact CB-CG2 3.63Å; K853-I893 HydrophobicContact CD-CG2 3.99Å; K853-I893 HydrophobicContact CG-CG2 4.45Å; K853-V894 PolarHBondContact N-O 3.38Å; K853-Q895 WeakPolarHBondContact O-CG 3.45Å; K853-Q895 PolarHBondContact O-NE2 2.71Å
854	P	95.5	Very high	95.1	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.026	17%	0.168	C	C	.	.			trans	-63.6	142.6	175.7	26.9	-32.9	0	0	0	111	P744 I852 I860 F876 A879 Q895	P744-P854 HydrophobicContact CG-CB 4.12Å; P744-P854 HydrophobicContact CG-CG 3.99Å; I852-P854 WeakPolarHBondContact O-CD 3.37Å; P854-I860 HydrophobicContact CB-CD1 3.79Å; P854-I860 HydrophobicContact CB-CG1 3.7Å; P854-I860 HydrophobicContact CG-CD1 4.1Å; P854-F876 HydrophobicContact CB-CD2 3.98Å; P854-F876 HydrophobicContact CB-CE2 4.24Å; P854-F876 HydrophobicContact CG-CD2 3.67Å; P854-F876 HydrophobicContact CG-CE2 3.94Å; P854-A879 HydrophobicContact CG-CB 3.79Å; P854-Q895 PolarHBondContact O-NE2 3.32Å
855	K	94.9	Very high	94.8	Very high	91 Å²	91	39.1 Å²	39.1	40%	0.396	18%	0.184	S	C	.	.	S	Bend	trans	-70.7	-39.1	173.8	-66.2	-174	179.5	-170.1	0	111.5	N859 Q895 G896 D897	K855-N859 HydrophobicContact CB-CB 4.07Å; K855-N859 PolarHBondContact N-OD1 3.22Å; K855-Q895 HydrophobicContact CD-CG 4.32Å; K855-Q895 HydrophobicContact CG-CG 3.59Å; K855-G896 WeakPolarHBondContact CE-O 3.45Å; K855-D897 WeakPolarHBondContact CD-OD1 3.31Å; K855-D897 WeakPolarHBondContact CE-OD1 3.05Å; K855-D897 IonicContact NZ-OD1 3.46Å; K855-D897 PolarHBondContact NZ-OD1 2.92Å; K855-D897 IonicContact NZ-OD2 3.45Å; K855-D897 PolarHBondContact NZ-OD2 3.35Å
856	S	94.8	Very high	94.6	Very high	35 Å²	35	49.4 Å²	49.4	25%	0.245	22%	0.223	C	C	.	.			trans	-161.7	-176	179.9	76	0	0	0	0	110.3	E858 N859	S856-E858 WeakPolarHBondContact CB-OE2 3.42Å; S856-E858 PolarHBondContact OG-N 3.01Å; S856-E858 PolarHBondContact OG-OE2 3.5Å; S856-N859 PolarHBondContact OG-N 3.19Å
857	M	94.4	Very high	94.3	Very high	38 Å²	38	49.6 Å²	49.6	19%	0.187	23%	0.226	C	C	.	.	H	α-helix	trans	-70.9	-37.4	173.8	-174.5	170.7	119.9	0	0	111.9	I860 M861 E869 A872 R873	M857-I860 WeakPolarHBondContact O-CB 3.44Å; M857-I860 PolarHBondContact O-N 2.82Å; M857-M861 PolarHBondContact O-N 3.38Å; M857-E869 HydrophobicContact CE-CB 4.41Å; M857-E869 HydrophobicContact CE-CG 3.29Å; M857-A872 HydrophobicContact CG-CB 3.91Å; M857-R873 HydrophobicContact CE-CB 4.26Å; M857-R873 WeakPolarHBondContact SD-CA 3.42Å; M857-R873 HydrophobicContact SD-CB 3.46Å; M857-R873 WeakPolarHBondContact SD-CB 3.25Å; M857-R873 HydrophobicContact SD-CG 3.8Å
858	E	93.7	Very high	94.1	Very high	113 Å²	113	53 Å²	53	53%	0.528	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-42.9	178.6	-56.1	72.2	-157.4	0	0	110.8	S856 I860 M861 E862	S856-E858 WeakPolarHBondContact CB-OE2 3.42Å; S856-E858 PolarHBondContact OG-N 3.01Å; S856-E858 PolarHBondContact OG-OE2 3.5Å; E858-I860 PolarHBondContact O-N 2.88Å; E858-M861 CarbonylContact O-C 3.52Å; E858-M861 WeakPolarHBondContact O-CA 3.42Å; E858-M861 WeakPolarHBondContact O-CB 3.46Å; E858-M861 PolarHBondContact O-N 2.91Å; E858-E862 WeakPolarHBondContact O-CG 3.4Å; E858-E862 PolarHBondContact O-N 3.42Å
859	N	93.9	Very high	93.9	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-35	174.4	166.5	-119.6	0	0	0	112.5	K855 S856 E862 M863 G896 D897	K855-N859 HydrophobicContact CB-CB 4.07Å; K855-N859 PolarHBondContact N-OD1 3.22Å; S856-N859 PolarHBondContact OG-N 3.19Å; N859-E862 PolarHBondContact O-N 2.82Å; N859-M863 WeakPolarHBondContact O-CE 3.18Å; N859-M863 WeakPolarHBondContact O-CG 3.27Å; N859-M863 PolarHBondContact O-N 3.08Å; N859-M863 VanDerWaalsContact O-N 3.07Å; N859-G896 PolarHBondContact ND2-O 3.02Å; N859-D897 PolarHBondContact ND2-O 3.19Å
860	I	94.3	Very high	93.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.4	-39.4	172.9	-60.8	172.7	0	0	0	111.4	P744 P854 M857 E858 M863 N864 L867 A872 T875 F876	P744-I860 HydrophobicContact CB-CG1 4.42Å; P744-I860 HydrophobicContact CG-CD1 4.08Å; P744-I860 HydrophobicContact CG-CG1 4.21Å; P854-I860 HydrophobicContact CB-CD1 3.79Å; P854-I860 HydrophobicContact CB-CG1 3.7Å; P854-I860 HydrophobicContact CG-CD1 4.1Å; M857-I860 WeakPolarHBondContact O-CB 3.44Å; M857-I860 PolarHBondContact O-N 2.82Å; E858-I860 PolarHBondContact O-N 2.88Å; I860-M863 HydrophobicContact CG1-CE 4.39Å; I860-N864 PolarHBondContact O-N 3.02Å; I860-L867 HydrophobicContact CG2-CD2 3.99Å; I860-A872 HydrophobicContact CB-CB 4.41Å; I860-A872 HydrophobicContact CG2-CB 4.23Å; I860-T875 HydrophobicContact CD1-CG2 4.1Å; I860-T875 HydrophobicContact CG2-CG2 4.31Å; I860-F876 HydrophobicContact CD1-CB 3.81Å; I860-F876 HydrophobicContact CD1-CD2 4.15Å
861	M	92.9	Very high	93.5	Very high	62 Å²	62	67.1 Å²	67.1	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-71.3	-33	177.2	-62.1	-180	69	0	0	112.4	M857 E858 N864 K865 E869 A872	M857-M861 PolarHBondContact O-N 3.38Å; E858-M861 CarbonylContact O-C 3.52Å; E858-M861 WeakPolarHBondContact O-CA 3.42Å; E858-M861 WeakPolarHBondContact O-CB 3.46Å; E858-M861 PolarHBondContact O-N 2.91Å; M861-N864 CarbonylContact O-C 3.18Å; M861-K865 VanDerWaalsContact O-CA 3.27Å; M861-K865 WeakPolarHBondContact O-CA 3.41Å; M861-K865 WeakPolarHBondContact O-CG 3.35Å; M861-K865 PolarHBondContact O-N 2.91Å; M861-K865 VanDerWaalsContact O-N 3.08Å; M861-E869 HydrophobicContact CE-CB 4.27Å; M861-E869 HydrophobicContact SD-CB 4.4Å; M861-A872 HydrophobicContact CG-CB 3.4Å; M861-A872 HydrophobicContact SD-CB 4.01Å
862	E	91.4	Very high	93.3	Very high	125 Å²	125	67.1 Å²	67.1	58%	0.584	31%	0.312	S	S	*	.	H	α-helix	trans	-68.1	-44.7	174.8	-71.6	-179.9	146.1	0	0	111.7	E858 N859 K865	E858-E862 WeakPolarHBondContact O-CG 3.4Å; E858-E862 PolarHBondContact O-N 3.42Å; N859-E862 PolarHBondContact O-N 2.82Å; E862-K865 WeakPolarHBondContact O-CE 3.42Å
863	M	90.3	Very high	93.2	Very high	25 Å²	25	71.5 Å²	71.5	12%	0.123	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-36.1	173.9	-73.1	-172.9	-74.2	0	0	112.9	M745 N859 I860 I902	M745-M863 HydrophobicContact CG-CB 4.39Å; M745-M863 HydrophobicContact CG-SD 4.42Å; N859-M863 WeakPolarHBondContact O-CE 3.18Å; N859-M863 WeakPolarHBondContact O-CG 3.27Å; N859-M863 PolarHBondContact O-N 3.08Å; N859-M863 VanDerWaalsContact O-N 3.07Å; I860-M863 HydrophobicContact CG1-CE 4.39Å; M863-I902 HydrophobicContact CE-CD1 4.36Å; M863-I902 HydrophobicContact SD-CD1 3.37Å; M863-I902 WeakPolarHBondContact SD-CD1 3.38Å
864	N	89.8	Confident	93.1	Very high	34 Å²	34	75.7 Å²	75.7	18%	0.182	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	85.8	177.4	-169.5	-7	0	0	0	112.4	M745 I860 M861 R866 L867	M745-N864 HydrophobicContact CE-CB 3.91Å; M745-N864 HydrophobicContact SD-CB 3.72Å; I860-N864 PolarHBondContact O-N 3.02Å; M861-N864 CarbonylContact O-C 3.18Å; N864-R866 PolarHBondContact O-N 3Å; N864-R866 PolarHBondContact OD1-N 3.29Å; N864-L867 HydrophobicContact CB-CD1 4.06Å; N864-L867 WeakPolarHBondContact ND2-CD1 3.25Å; N864-L867 PolarHBondContact O-N 3.31Å
865	K	88.5	Confident	93.1	Very high	183 Å²	183	77.2 Å²	77.2	80%	0.796	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	6.6	-178.6	-57.2	176.2	-175.7	175.9	0	115.3	M861 E862	M861-K865 VanDerWaalsContact O-CA 3.27Å; M861-K865 WeakPolarHBondContact O-CA 3.41Å; M861-K865 WeakPolarHBondContact O-CG 3.35Å; M861-K865 PolarHBondContact O-N 2.91Å; M861-K865 VanDerWaalsContact O-N 3.08Å; E862-K865 WeakPolarHBondContact O-CE 3.42Å
866	R	90.3	Very high	93.1	Very high	220 Å²	220	75.5 Å²	75.5	83%	0.83	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-12	173.4	-63.2	-180	-70.2	-176.7	-4.2	113.3	N864	N864-R866 PolarHBondContact O-N 3Å; N864-R866 PolarHBondContact OD1-N 3.29Å
867	L	89.8	Confident	93.2	Very high	36 Å²	36	78.5 Å²	78.5	19%	0.188	36%	0.355	C	S	.	.	S	Bend	trans	-74.4	142	173.4	-93.3	68.4	0	0	0	110.7	I860 N864 Q871	I860-L867 HydrophobicContact CG2-CD2 3.99Å; N864-L867 HydrophobicContact CB-CD1 4.06Å; N864-L867 WeakPolarHBondContact ND2-CD1 3.25Å; N864-L867 PolarHBondContact O-N 3.31Å; L867-Q871 HydrophobicContact CB-CB 4.29Å; L867-Q871 HydrophobicContact CD2-CB 4.22Å; L867-Q871 HydrophobicContact CG-CB 4.04Å
868	T	93.5	Very high	93.2	Very high	77 Å²	77	83.2 Å²	83.2	47%	0.472	37%	0.371	S	S	.	.			trans	-76.3	159.2	164.9	68.7	0	0	0	0	110.8	E870 Q871 A872	T868-E870 VanDerWaalsContact C-N 3.31Å; T868-E870 PolarHBondContact O-N 3.45Å; T868-Q871 WeakPolarHBondContact O-CA 3.43Å; T868-Q871 WeakPolarHBondContact O-CB 3.2Å; T868-Q871 PolarHBondContact O-N 3.41Å; T868-Q871 WeakPolarHBondContact OG1-CG 3.45Å; T868-Q871 PolarHBondContact OG1-N 3.26Å; T868-Q871 PolarHBondContact OG1-OE1 2.8Å; T868-A872 PolarHBondContact O-N 3.43Å
869	E	93.4	Very high	93.3	Very high	134 Å²	134	78 Å²	78	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-52.3	-46.3	178.1	-171.1	179.5	169.3	0	0	112.5	M857 M861 Q871 A872 R873	M857-E869 HydrophobicContact CE-CB 4.41Å; M857-E869 HydrophobicContact CE-CG 3.29Å; M861-E869 HydrophobicContact CE-CB 4.27Å; M861-E869 HydrophobicContact SD-CB 4.4Å; E869-Q871 VanDerWaalsContact C-N 3.35Å; E869-Q871 PolarHBondContact O-N 3.19Å; E869-A872 PolarHBondContact O-N 3.07Å; E869-R873 PolarHBondContact O-N 3.25Å
870	E	94.2	Very high	93.4	Very high	69 Å²	69	81.2 Å²	81.2	32%	0.322	36%	0.362	S	S	.	.	H	α-helix	trans	-67.9	-29.2	176.8	173.9	61.6	-175.9	0	0	113.3	T868 R873 R874	T868-E870 VanDerWaalsContact C-N 3.31Å; T868-E870 PolarHBondContact O-N 3.45Å; E870-R873 IonicContact OE1-CZ 2.96Å; E870-R873 IonicContact OE1-NH2 3.19Å; E870-R873 PolarHBondContact OE1-NH2 3.4Å; E870-R873 IonicContact OE2-CZ 3.83Å; E870-R873 IonicContact OE2-NE 2.71Å; E870-R873 PolarHBondContact OE2-NE 3.13Å; E870-R873 IonicContact OE2-NH2 2.77Å; E870-R873 PolarHBondContact OE2-NH2 2.91Å; E870-R874 VanDerWaalsContact O-CG 3.26Å; E870-R874 WeakPolarHBondContact O-CG 3.42Å; E870-R874 PolarHBondContact O-N 2.89Å; E870-R874 IonicContact OE1-CZ 3.86Å; E870-R874 IonicContact OE1-NE 3.11Å; E870-R874 PolarHBondContact OE1-NE 2.95Å; E870-R874 IonicContact OE1-NH2 3.26Å; E870-R874 PolarHBondContact OE1-NH2 3.48Å
871	Q	93.5	Very high	93.4	Very high	96 Å²	96	87.1 Å²	87.1	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-70.7	-44.5	171.4	-73	169.5	-19.2	0	0	110.9	L867 T868 E869 R873 R874 T875	L867-Q871 HydrophobicContact CB-CB 4.29Å; L867-Q871 HydrophobicContact CD2-CB 4.22Å; L867-Q871 HydrophobicContact CG-CB 4.04Å; T868-Q871 WeakPolarHBondContact O-CA 3.43Å; T868-Q871 WeakPolarHBondContact O-CB 3.2Å; T868-Q871 PolarHBondContact O-N 3.41Å; T868-Q871 WeakPolarHBondContact OG1-CG 3.45Å; T868-Q871 PolarHBondContact OG1-N 3.26Å; T868-Q871 PolarHBondContact OG1-OE1 2.8Å; E869-Q871 VanDerWaalsContact C-N 3.35Å; E869-Q871 PolarHBondContact O-N 3.19Å; Q871-R873 VanDerWaalsContact C-N 3.32Å; Q871-R873 PolarHBondContact O-N 3.18Å; Q871-R874 PolarHBondContact O-N 2.66Å; Q871-T875 PolarHBondContact O-N 2.9Å; Q871-T875 PolarHBondContact O-OG1 2.79Å
872	A	94.5	Very high	93.5	Very high	0 Å²	0	85.7 Å²	85.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-60.9	-41.5	176	0	0	0	0	0	111.6	M857 I860 M861 T868 E869 T875 F876	M857-A872 HydrophobicContact CG-CB 3.91Å; I860-A872 HydrophobicContact CB-CB 4.41Å; I860-A872 HydrophobicContact CG2-CB 4.23Å; M861-A872 HydrophobicContact CG-CB 3.4Å; M861-A872 HydrophobicContact SD-CB 4.01Å; T868-A872 PolarHBondContact O-N 3.43Å; E869-A872 PolarHBondContact O-N 3.07Å; A872-T875 PolarHBondContact O-N 3.49Å; A872-F876 WeakPolarHBondContact O-CB 3.35Å; A872-F876 PolarHBondContact O-N 2.89Å
873	R	95.7	Very high	93.6	Very high	93 Å²	93	81.1 Å²	81.1	35%	0.351	36%	0.36	S	S	.	.	H	α-helix	trans	-56.9	-50.6	173.7	-166.1	177.6	65.6	85.9	-0.2	112.1	M857 E869 E870 Q871 T875 F876 E877	M857-R873 HydrophobicContact CE-CB 4.26Å; M857-R873 WeakPolarHBondContact SD-CA 3.42Å; M857-R873 HydrophobicContact SD-CB 3.46Å; M857-R873 WeakPolarHBondContact SD-CB 3.25Å; M857-R873 HydrophobicContact SD-CG 3.8Å; E869-R873 PolarHBondContact O-N 3.25Å; E870-R873 IonicContact OE1-CZ 2.96Å; E870-R873 IonicContact OE1-NH2 3.19Å; E870-R873 PolarHBondContact OE1-NH2 3.4Å; E870-R873 IonicContact OE2-CZ 3.83Å; E870-R873 IonicContact OE2-NE 2.71Å; E870-R873 PolarHBondContact OE2-NE 3.13Å; E870-R873 IonicContact OE2-NH2 2.77Å; E870-R873 PolarHBondContact OE2-NH2 2.91Å; Q871-R873 VanDerWaalsContact C-N 3.32Å; Q871-R873 PolarHBondContact O-N 3.18Å; R873-T875 VanDerWaalsContact C-N 3.31Å; R873-T875 PolarHBondContact O-N 2.73Å; R873-F876 PolarHBondContact O-N 2.94Å; R873-E877 WeakPolarHBondContact CG-OE1 3.37Å; R873-E877 IonicContact CZ-OE1 3.34Å; R873-E877 VanDerWaalsContact NH1-CD 3.29Å; R873-E877 IonicContact NH1-OE1 3.53Å; R873-E877 PolarHBondContact NH1-OE1 3.33Å; R873-E877 IonicContact NH1-OE2 2.67Å; R873-E877 PolarHBondContact NH1-OE2 2.97Å; R873-E877 WeakPolarHBondContact O-CG 3.39Å; R873-E877 PolarHBondContact O-N 3.34Å
874	R	95.3	Very high	93.6	Very high	149 Å²	149	88.3 Å²	88.3	56%	0.562	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-36	178.2	-70.2	171.2	-170.5	-162.5	4.3	112.6	E870 Q871 R878	E870-R874 VanDerWaalsContact O-CG 3.26Å; E870-R874 WeakPolarHBondContact O-CG 3.42Å; E870-R874 PolarHBondContact O-N 2.89Å; E870-R874 IonicContact OE1-CZ 3.86Å; E870-R874 IonicContact OE1-NE 3.11Å; E870-R874 PolarHBondContact OE1-NE 2.95Å; E870-R874 IonicContact OE1-NH2 3.26Å; E870-R874 PolarHBondContact OE1-NH2 3.48Å; Q871-R874 PolarHBondContact O-N 2.66Å; R874-R878 VanDerWaalsContact O-CB 3.25Å; R874-R878 WeakPolarHBondContact O-CB 3.4Å; R874-R878 PolarHBondContact O-N 3.11Å
875	T	95.1	Very high	93.8	Very high	36 Å²	36	90.7 Å²	90.7	22%	0.221	40%	0.403	C	S	.	.	H	α-helix	trans	-70.6	-38.3	175.3	-63.8	0	0	0	0	111.7	P744 I860 Q871 A872 R873 A879	P744-T875 HydrophobicContact CB-CG2 4Å; P744-T875 HydrophobicContact CG-CG2 4.03Å; I860-T875 HydrophobicContact CD1-CG2 4.1Å; I860-T875 HydrophobicContact CG2-CG2 4.31Å; Q871-T875 PolarHBondContact O-N 2.9Å; Q871-T875 PolarHBondContact O-OG1 2.79Å; A872-T875 PolarHBondContact O-N 3.49Å; R873-T875 VanDerWaalsContact C-N 3.31Å; R873-T875 PolarHBondContact O-N 2.73Å; T875-A879 WeakPolarHBondContact O-CB 3.43Å; T875-A879 PolarHBondContact O-N 2.76Å
876	F	96.1	Very high	94	Very high	56 Å²	56	82.2 Å²	82.2	25%	0.246	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-50.4	173.5	-171.8	-97.1	0	0	0	111.6	P854 I860 A872 R873 R878 A879 M880	P854-F876 HydrophobicContact CB-CD2 3.98Å; P854-F876 HydrophobicContact CB-CE2 4.24Å; P854-F876 HydrophobicContact CG-CD2 3.67Å; P854-F876 HydrophobicContact CG-CE2 3.94Å; I860-F876 HydrophobicContact CD1-CB 3.81Å; I860-F876 HydrophobicContact CD1-CD2 4.15Å; A872-F876 WeakPolarHBondContact O-CB 3.35Å; A872-F876 PolarHBondContact O-N 2.89Å; R873-F876 PolarHBondContact O-N 2.94Å; F876-R878 VanDerWaalsContact C-N 3.31Å; F876-R878 PolarHBondContact O-N 2.97Å; F876-A879 WeakPolarHBondContact O-CB 3.27Å; F876-A879 PolarHBondContact O-N 2.91Å; F876-A879 VanDerWaalsContact O-N 3.09Å; F876-M880 HydrophobicContact CD1-CG 4.06Å; F876-M880 HydrophobicContact CE1-CG 3.7Å; F876-M880 HydrophobicContact CE1-SD 4.18Å; F876-M880 HydrophobicContact CE2-SD 4.43Å; F876-M880 HydrophobicContact CZ-CG 4.03Å; F876-M880 HydrophobicContact CZ-SD 3.9Å; F876-M880 WeakPolarHBondContact O-CG 3.4Å; F876-M880 PolarHBondContact O-N 3.07Å
877	E	95.9	Very high	94.2	Very high	97 Å²	97	72.3 Å²	72.3	45%	0.453	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-40.2	177.4	-73.3	170.7	-176.4	0	0	112	R873 M880 K881	R873-E877 WeakPolarHBondContact CG-OE1 3.37Å; R873-E877 IonicContact CZ-OE1 3.34Å; R873-E877 VanDerWaalsContact NH1-CD 3.29Å; R873-E877 IonicContact NH1-OE1 3.53Å; R873-E877 PolarHBondContact NH1-OE1 3.33Å; R873-E877 IonicContact NH1-OE2 2.67Å; R873-E877 PolarHBondContact NH1-OE2 2.97Å; R873-E877 WeakPolarHBondContact O-CG 3.39Å; R873-E877 PolarHBondContact O-N 3.34Å; E877-M880 PolarHBondContact O-N 3.16Å; E877-K881 PolarHBondContact O-N 3.1Å
878	R	95.1	Very high	94.3	Very high	138 Å²	138	73.6 Å²	73.6	52%	0.521	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-42.4	173.3	-172.5	-171.9	-59.4	-170.1	-2.9	112.2	S153 R874 F876 K881 L882	S153-R878 PolarHBondContact OG-NH1 3.39Å; R874-R878 VanDerWaalsContact O-CB 3.25Å; R874-R878 WeakPolarHBondContact O-CB 3.4Å; R874-R878 PolarHBondContact O-N 3.11Å; F876-R878 VanDerWaalsContact C-N 3.31Å; F876-R878 PolarHBondContact O-N 2.97Å; R878-K881 PolarHBondContact O-N 2.71Å; R878-L882 HydrophobicContact CG-CD1 4.37Å; R878-L882 WeakPolarHBondContact O-CG 3.49Å; R878-L882 PolarHBondContact O-N 3.08Å
879	A	96.2	Very high	94.3	Very high	2 Å²	2	71.1 Å²	71.1	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-63.9	-44.3	176.9	0	0	0	0	0	111.3	P744 F851 P854 T875 F876 K881 L882 E883	P744-A879 HydrophobicContact CG-CB 4.42Å; F851-A879 HydrophobicContact CE2-CB 4.48Å; F851-A879 HydrophobicContact CZ-CB 4.22Å; F851-A879 VanDerWaalsContact CZ-O 3.31Å; F851-A879 WeakPolarHBondContact CZ-O 3.43Å; P854-A879 HydrophobicContact CG-CB 3.79Å; T875-A879 WeakPolarHBondContact O-CB 3.43Å; T875-A879 PolarHBondContact O-N 2.76Å; F876-A879 WeakPolarHBondContact O-CB 3.27Å; F876-A879 PolarHBondContact O-N 2.91Å; F876-A879 VanDerWaalsContact O-N 3.09Å; A879-K881 VanDerWaalsContact C-N 3.32Å; A879-K881 PolarHBondContact O-N 3.12Å; A879-L882 PolarHBondContact O-N 3.19Å; A879-E883 PolarHBondContact O-N 2.66Å
880	M	94.9	Very high	94.4	Very high	73 Å²	73	64.7 Å²	64.7	36%	0.36	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-37.3	175.7	-65.7	-50.8	-49.3	0	0	112.6	F876 E877 Q884	F876-M880 HydrophobicContact CD1-CG 4.06Å; F876-M880 HydrophobicContact CE1-CG 3.7Å; F876-M880 HydrophobicContact CE1-SD 4.18Å; F876-M880 HydrophobicContact CE2-SD 4.43Å; F876-M880 HydrophobicContact CZ-CG 4.03Å; F876-M880 HydrophobicContact CZ-SD 3.9Å; F876-M880 WeakPolarHBondContact O-CG 3.4Å; F876-M880 PolarHBondContact O-N 3.07Å; E877-M880 PolarHBondContact O-N 3.16Å; M880-Q884 WeakPolarHBondContact O-CB 3.32Å; M880-Q884 PolarHBondContact O-N 3.17Å
881	K	94.7	Very high	94.5	Very high	124 Å²	124	62.1 Å²	62.1	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-44.9	172.6	-169.1	-177	-173.8	-100.4	0	111.9	E877 R878 A879 E883 Q884 E885	E877-K881 PolarHBondContact O-N 3.1Å; R878-K881 PolarHBondContact O-N 2.71Å; A879-K881 VanDerWaalsContact C-N 3.32Å; A879-K881 PolarHBondContact O-N 3.12Å; K881-E883 VanDerWaalsContact C-N 3.3Å; K881-E883 PolarHBondContact O-N 2.83Å; K881-Q884 PolarHBondContact O-N 3.31Å; K881-E885 WeakPolarHBondContact CE-OE2 3.48Å; K881-E885 IonicContact NZ-OE1 3.62Å; K881-E885 IonicContact NZ-OE2 3.41Å; K881-E885 PolarHBondContact NZ-OE2 2.88Å; K881-E885 VanDerWaalsContact O-CB 3.26Å; K881-E885 WeakPolarHBondContact O-CB 3.46Å; K881-E885 PolarHBondContact O-N 3.02Å
882	L	94.6	Very high	94.6	Very high	33 Å²	33	58.3 Å²	58.3	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-40	177.5	-75.7	169.4	0	0	0	111.9	F851 R878 A879 F886	F851-L882 HydrophobicContact CE2-CB 4Å; R878-L882 HydrophobicContact CG-CD1 4.37Å; R878-L882 WeakPolarHBondContact O-CG 3.49Å; R878-L882 PolarHBondContact O-N 3.08Å; A879-L882 PolarHBondContact O-N 3.19Å; L882-F886 HydrophobicContact CD2-CD2 4.04Å; L882-F886 HydrophobicContact CD2-CE2 4.19Å; L882-F886 WeakPolarHBondContact O-CB 3.26Å; L882-F886 PolarHBondContact O-N 3.44Å
883	E	94.1	Very high	94.8	Very high	28 Å²	28	60.6 Å²	60.6	13%	0.131	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-55	171.8	-169.1	175.1	-170.4	0	0	110.5	F851 K853 A879 K881 E885 F886 T887	F851-E883 HydrophobicContact CE1-CB 3.72Å; F851-E883 HydrophobicContact CE1-CG 4.02Å; F851-E883 HydrophobicContact CZ-CB 3.91Å; K853-E883 WeakPolarHBondContact CE-OE1 3.41Å; K853-E883 WeakPolarHBondContact CE-OE2 3.4Å; K853-E883 VanDerWaalsContact NZ-CD 3.28Å; K853-E883 IonicContact NZ-OE1 2.74Å; K853-E883 PolarHBondContact NZ-OE1 2.67Å; K853-E883 IonicContact NZ-OE2 3.21Å; K853-E883 PolarHBondContact NZ-OE2 2.77Å; K853-E883 VanDerWaalsContact NZ-OE2 3.1Å; A879-E883 PolarHBondContact O-N 2.66Å; K881-E883 VanDerWaalsContact C-N 3.3Å; K881-E883 PolarHBondContact O-N 2.83Å; E883-E885 VanDerWaalsContact C-N 3.27Å; E883-E885 PolarHBondContact O-N 3.49Å; E883-F886 PolarHBondContact O-N 2.87Å; E883-T887 VanDerWaalsContact CG-OG1 3.3Å; E883-T887 WeakPolarHBondContact CG-OG1 3.48Å; E883-T887 WeakPolarHBondContact O-CB 3.32Å; E883-T887 PolarHBondContact O-N 3.38Å; E883-T887 PolarHBondContact O-OG1 3.42Å
884	Q	90.6	Very high	94.8	Very high	177 Å²	177	56.3 Å²	56.3	83%	0.827	26%	0.258	S	S	*	.	H	α-helix	trans	-59.5	-33.9	-178.3	-173.2	178.1	5.6	0	0	113.7	M880 K881	M880-Q884 WeakPolarHBondContact O-CB 3.32Å; M880-Q884 PolarHBondContact O-N 3.17Å; K881-Q884 PolarHBondContact O-N 3.31Å
885	E	93.2	Very high	94.8	Very high	83 Å²	83	53 Å²	53	39%	0.388	25%	0.249	S	C	.	.	H	α-helix	trans	-91.1	-24.6	-173.2	-167.8	176.5	162.5	0	0	113.8	K881 E883	K881-E885 WeakPolarHBondContact CE-OE2 3.48Å; K881-E885 IonicContact NZ-OE1 3.62Å; K881-E885 IonicContact NZ-OE2 3.41Å; K881-E885 PolarHBondContact NZ-OE2 2.88Å; K881-E885 VanDerWaalsContact O-CB 3.26Å; K881-E885 WeakPolarHBondContact O-CB 3.46Å; K881-E885 PolarHBondContact O-N 3.02Å; E883-E885 VanDerWaalsContact C-N 3.27Å; E883-E885 PolarHBondContact O-N 3.49Å
886	F	94.3	Very high	94.7	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.022	24%	0.241	C	C	.	.	H	α-helix	trans	-130.9	1.1	-171.1	-63.4	-79.8	0	0	0	116.4	N835 L882 E883 E888 H889 F890	N835-F886 WeakPolarHBondContact OD1-CE1 3.47Å; L882-F886 HydrophobicContact CD2-CD2 4.04Å; L882-F886 HydrophobicContact CD2-CE2 4.19Å; L882-F886 WeakPolarHBondContact O-CB 3.26Å; L882-F886 PolarHBondContact O-N 3.44Å; E883-F886 PolarHBondContact O-N 2.87Å; F886-E888 VanDerWaalsContact C-N 3.33Å; F886-E888 PolarHBondContact O-N 3.41Å; F886-E888 VanDerWaalsContact O-N 3.11Å; F886-H889 WeakPolarHBondContact O-CA 3.34Å; F886-H889 WeakPolarHBondContact O-CB 3.36Å; F886-H889 PolarHBondContact O-N 3.24Å; F886-F890 HydrophobicContact CB-CD1 4.44Å; F886-F890 HydrophobicContact CB-CE1 3.53Å; F886-F890 HydrophobicContact CB-CZ 3.65Å
887	T	93.3	Very high	94.5	Very high	12 Å²	12	53.2 Å²	53.2	7%	0.074	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-47.9	-46.1	-174.1	-71.3	0	0	0	0	114.8	F608 L723 E883 H889 F890 I893	F608-T887 HydrophobicContact CD2-CG2 4.38Å; F608-T887 HydrophobicContact CE2-CG2 3.5Å; F608-T887 HydrophobicContact CZ-CG2 4.03Å; F608-T887 WeakPolarHBondContact CZ-O 3.39Å; L723-T887 HydrophobicContact CD1-CG2 3.52Å; L723-T887 HydrophobicContact CD2-CG2 3.98Å; L723-T887 HydrophobicContact CG-CG2 4.41Å; E883-T887 VanDerWaalsContact CG-OG1 3.3Å; E883-T887 WeakPolarHBondContact CG-OG1 3.48Å; E883-T887 WeakPolarHBondContact O-CB 3.32Å; E883-T887 PolarHBondContact O-N 3.38Å; E883-T887 PolarHBondContact O-OG1 3.42Å; T887-H889 PolarHBondContact O-N 3.2Å; T887-H889 VanDerWaalsContact O-N 3.1Å; T887-F890 PolarHBondContact O-N 3.23Å; T887-F890 VanDerWaalsContact O-N 3.09Å; T887-I893 HydrophobicContact CG2-CD1 4.26Å
888	E	91.6	Very high	94.4	Very high	64 Å²	64	51.8 Å²	51.8	30%	0.299	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-59.6	-22.7	179.3	69.4	-167.7	161.6	0	0	114.1	R586 L588 Y721 L723 F886	R586-E888 PolarHBondContact NH2-O 2.98Å; R586-E888 VanDerWaalsContact NH2-O 3.14Å; L588-E888 HydrophobicContact CD1-CB 4.28Å; Y721-E888 WeakPolarHBondContact CE1-OE2 3.45Å; L723-E888 HydrophobicContact CD2-CB 4.28Å; F886-E888 VanDerWaalsContact C-N 3.33Å; F886-E888 PolarHBondContact O-N 3.41Å; F886-E888 VanDerWaalsContact O-N 3.11Å
889	H	93.5	Very high	94.3	Very high	24 Å²	24	47.4 Å²	47.4	11%	0.111	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-89.5	-13	-179.7	-59.1	83.4	0	0	0	113.5	I837 K838 F886 T887	I837-H889 HydrophobicContact CD1-CB 4.24Å; I837-H889 HydrophobicContact CG2-CB 3.99Å; K838-H889 WeakPolarHBondContact CE-CE1 3.29Å; K838-H889 WeakPolarHBondContact CE-NE2 3.3Å; K838-H889 WeakPolarHBondContact CG-NE2 3.43Å; F886-H889 WeakPolarHBondContact O-CA 3.34Å; F886-H889 WeakPolarHBondContact O-CB 3.36Å; F886-H889 PolarHBondContact O-N 3.24Å; T887-H889 PolarHBondContact O-N 3.2Å; T887-H889 VanDerWaalsContact O-N 3.1Å
890	F	96.2	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.			trans	-74.8	141.8	179.6	-56.4	-28	0	0	0	110.8	R586 F608 L742 I837 S849 F851 F886 T887 I893	R586-F890 PolarHBondContact NH1-O 3.45Å; F608-F890 HydrophobicContact CE1-CB 4.15Å; F608-F890 HydrophobicContact CZ-CB 4.25Å; L742-F890 HydrophobicContact CD1-CE1 3.83Å; I837-F890 HydrophobicContact CD1-CD1 4.41Å; S849-F890 CarbonylContact O-C 3.43Å; F851-F890 HydrophobicContact CB-CD1 4.11Å; F851-F890 HydrophobicContact CB-CD2 3.39Å; F851-F890 HydrophobicContact CB-CE1 4.1Å; F851-F890 HydrophobicContact CB-CE2 3.37Å; F851-F890 HydrophobicContact CB-CG 3.79Å; F851-F890 HydrophobicContact CB-CZ 3.74Å; F851-F890 HydrophobicContact CD1-CD2 4.13Å; F851-F890 AromaticContact CD1-CE2 3.63Å; F851-F890 HydrophobicContact CD1-CE2 3.63Å; F851-F890 HydrophobicContact CD1-CZ 4.38Å; F851-F890 AromaticContact CD2-CE2 3.98Å; F851-F890 HydrophobicContact CD2-CE2 3.98Å; F851-F890 AromaticContact CD2-CZ 3.9Å; F851-F890 HydrophobicContact CD2-CZ 3.9Å; F851-F890 HydrophobicContact CE1-CE2 4.42Å; F851-F890 AromaticContact CG-CD2 3.9Å; F851-F890 HydrophobicContact CG-CD2 3.9Å; F851-F890 AromaticContact CG-CE2 3.38Å; F851-F890 HydrophobicContact CG-CE2 3.38Å; F851-F890 AromaticContact CG-CZ 3.75Å; F851-F890 HydrophobicContact CG-CZ 3.75Å; F886-F890 HydrophobicContact CB-CD1 4.44Å; F886-F890 HydrophobicContact CB-CE1 3.53Å; F886-F890 HydrophobicContact CB-CZ 3.65Å; T887-F890 PolarHBondContact O-N 3.23Å; T887-F890 VanDerWaalsContact O-N 3.09Å; F890-I893 HydrophobicContact CD2-CD1 4.37Å; F890-I893 HydrophobicContact CD2-CG1 4.06Å
891	T	96.1	Very high	94.3	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.092	27%	0.268	C	S	.	.	S	Bend	trans	-77	-40.5	169.6	-49.4	0	0	0	0	110.4	I848 S849 Q913	I848-T891 HydrophobicContact CG2-CG2 4.42Å; S849-T891 PolarHBondContact N-OG1 3.02Å; S849-T891 PolarHBondContact O-N 3.38Å; T891-Q913 HydrophobicContact CG2-CG 3.8Å
892	A	96.5	Very high	94.4	Very high	15 Å²	15	48 Å²	48	12%	0.124	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.9	175.7	0	0	0	0	0	111.8	S849 F851 V909	S849-A892 PolarHBondContact O-N 3.05Å; F851-A892 PolarHBondContact N-O 3.26Å; A892-V909 HydrophobicContact CB-CB 4.49Å; A892-V909 HydrophobicContact CB-CG1 3.67Å; A892-V909 HydrophobicContact CB-CG2 3.92Å
893	I	97	Very high	94.6	Very high	48 Å²	48	47.5 Å²	47.5	25%	0.246	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.6	170.7	-62.6	174.9	0	0	0	107.9	F608 F851 K853 T887 F890	F608-I893 HydrophobicContact CD1-CB 4.36Å; F608-I893 HydrophobicContact CD1-CD1 4.03Å; F608-I893 HydrophobicContact CD1-CG1 3.83Å; F608-I893 HydrophobicContact CD2-CD1 3.93Å; F608-I893 HydrophobicContact CE1-CD1 4.17Å; F608-I893 HydrophobicContact CE1-CG1 3.94Å; F608-I893 HydrophobicContact CE2-CD1 4.07Å; F608-I893 HydrophobicContact CG-CD1 3.95Å; F608-I893 HydrophobicContact CG-CG1 4.23Å; F608-I893 HydrophobicContact CZ-CD1 4.2Å; F608-I893 HydrophobicContact CZ-CG1 4.4Å; F851-I893 HydrophobicContact CD1-CG1 4.32Å; F851-I893 HydrophobicContact CD1-CG2 4.11Å; F851-I893 CarbonylContact O-C 3.47Å; F851-I893 WeakPolarHBondContact O-CA 3.23Å; K853-I893 HydrophobicContact CB-CG2 3.63Å; K853-I893 HydrophobicContact CD-CG2 3.99Å; K853-I893 HydrophobicContact CG-CG2 4.45Å; T887-I893 HydrophobicContact CG2-CD1 4.26Å; F890-I893 HydrophobicContact CD2-CD1 4.37Å; F890-I893 HydrophobicContact CD2-CG1 4.06Å
894	V	97.1	Very high	94.8	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.7	-179.4	169	0	0	0	0	109.9	V850 F851 K853 I902 Q905 V906 V909	V850-V894 HydrophobicContact CG1-CB 4.24Å; V850-V894 HydrophobicContact CG1-CG2 3.57Å; F851-V894 PolarHBondContact O-N 3.05Å; K853-V894 PolarHBondContact N-O 3.38Å; V894-I902 HydrophobicContact CG1-CB 4.31Å; V894-I902 HydrophobicContact CG1-CG1 4.28Å; V894-I902 HydrophobicContact CG1-CG2 4Å; V894-Q905 HydrophobicContact CB-CB 4.46Å; V894-Q905 HydrophobicContact CG1-CB 3.56Å; V894-Q905 HydrophobicContact CG1-CG 4.38Å; V894-Q905 HydrophobicContact CG2-CB 4.07Å; V894-V906 HydrophobicContact CB-CG2 4.45Å; V894-V906 HydrophobicContact CG1-CG2 4.28Å; V894-V906 HydrophobicContact CG2-CG2 4.21Å; V894-V909 HydrophobicContact CG2-CG2 4.28Å
895	Q	95.3	Very high	95.1	Very high	80 Å²	80	44.5 Å²	44.5	37%	0.374	23%	0.227	S	C	.	.			trans	-145.8	132.1	177.2	178.2	161.4	97.3	0	0	110.7	K853 P854 K855 Q905	K853-Q895 WeakPolarHBondContact O-CG 3.45Å; K853-Q895 PolarHBondContact O-NE2 2.71Å; P854-Q895 PolarHBondContact O-NE2 3.32Å; K855-Q895 HydrophobicContact CD-CG 4.32Å; K855-Q895 HydrophobicContact CG-CG 3.59Å; Q895-Q905 PolarHBondContact O-NE2 2.8Å; Q895-Q905 PolarHBondContact O-OE1 3.23Å
896	G	93.5	Very high	95.3	Very high	4 Å²	4	40.5 Å²	40.5	4%	0.041	21%	0.209	C	C	.	.			trans	-147.6	172.8	-179.2	0	0	0	0	0	112.1	K855 N859	K855-G896 WeakPolarHBondContact CE-O 3.45Å; N859-G896 PolarHBondContact ND2-O 3.02Å
897	D	91	Very high	95.5	Very high	93 Å²	93	42.9 Å²	42.9	50%	0.497	22%	0.219	S	C	.	.	S	Bend	trans	-90.5	-39.1	175.3	-65.3	-69.8	0	0	0	110.9	K855 N859	K855-D897 WeakPolarHBondContact CD-OD1 3.31Å; K855-D897 WeakPolarHBondContact CE-OD1 3.05Å; K855-D897 IonicContact NZ-OD1 3.46Å; K855-D897 PolarHBondContact NZ-OD1 2.92Å; K855-D897 IonicContact NZ-OD2 3.45Å; K855-D897 PolarHBondContact NZ-OD2 3.35Å; N859-D897 PolarHBondContact ND2-O 3.19Å
898	T	93.8	Very high	95.6	Very high	66 Å²	66	47.5 Å²	47.5	41%	0.405	24%	0.24	S	C	.	.	S	Bend	trans	-107.9	163.4	174.8	76.5	0	0	0	0	112.6	E900 D901 I902	T898-E900 PolarHBondContact O-N 2.94Å; T898-E900 PolarHBondContact OG1-N 3.49Å; T898-D901 WeakPolarHBondContact CA-OD2 3.48Å; T898-D901 VanDerWaalsContact CB-OD2 3.32Å; T898-D901 WeakPolarHBondContact CB-OD2 3.4Å; T898-D901 PolarHBondContact N-OD2 2.89Å; T898-D901 PolarHBondContact OG1-N 3.43Å; T898-D901 VanDerWaalsContact OG1-N 3.12Å; T898-D901 PolarHBondContact OG1-OD2 2.96Å; T898-I902 WeakPolarHBondContact O-CG1 3.39Å; T898-I902 PolarHBondContact O-N 3.39Å
899	L	93.7	Very high	95.9	Very high	46 Å²	46	45.4 Å²	45.4	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-30.7	171	178.5	61.3	0	0	0	112.3	M745 R748 V749 I902 Y903	M745-L899 HydrophobicContact CB-CD1 3.76Å; M745-L899 HydrophobicContact CG-CD1 4.16Å; R748-L899 HydrophobicContact CG-CD2 3.87Å; V749-L899 HydrophobicContact CG2-CD1 4.09Å; L899-I902 PolarHBondContact O-N 3.21Å; L899-Y903 WeakPolarHBondContact O-CB 3.24Å; L899-Y903 PolarHBondContact O-N 3.29Å
900	E	95.4	Very high	96.1	Very high	142 Å²	142	44.5 Å²	44.5	66%	0.664	23%	0.227	S	C	*	.	H	α-helix	trans	-70.6	-41.6	179.8	-171.8	173.2	172.9	0	0	111.3	T898 I902 Y903 N904	T898-E900 PolarHBondContact O-N 2.94Å; T898-E900 PolarHBondContact OG1-N 3.49Å; E900-I902 PolarHBondContact O-N 2.93Å; E900-Y903 PolarHBondContact O-N 3.48Å; E900-N904 WeakPolarHBondContact O-CB 3.36Å; E900-N904 PolarHBondContact O-N 3.04Å; E900-N904 PolarHBondContact O-ND2 3.36Å
901	D	95.5	Very high	96	Very high	68 Å²	68	49.9 Å²	49.9	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-58.7	-39.2	172.2	-54.3	-53.4	0	0	0	111.7	T898 Q905	T898-D901 WeakPolarHBondContact CA-OD2 3.48Å; T898-D901 VanDerWaalsContact CB-OD2 3.32Å; T898-D901 WeakPolarHBondContact CB-OD2 3.4Å; T898-D901 PolarHBondContact N-OD2 2.89Å; T898-D901 PolarHBondContact OG1-N 3.43Å; T898-D901 VanDerWaalsContact OG1-N 3.12Å; T898-D901 PolarHBondContact OG1-OD2 2.96Å; D901-Q905 WeakPolarHBondContact O-CB 3.32Å; D901-Q905 VanDerWaalsContact O-CG 3.28Å; D901-Q905 WeakPolarHBondContact O-CG 3.47Å; D901-Q905 PolarHBondContact O-N 2.95Å; D901-Q905 VanDerWaalsContact O-N 3.08Å; D901-Q905 PolarHBondContact O-NE2 3.03Å; D901-Q905 VanDerWaalsContact O-NE2 3.1Å
902	I	96.9	Very high	95.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-73.7	-44.4	-179.5	-70	166.3	0	0	0	110.7	I852 M863 V894 T898 L899 E900 N904 Q905 V906	I852-I902 HydrophobicContact CD1-CG2 3.84Å; I852-I902 HydrophobicContact CG1-CG2 3.93Å; I852-I902 HydrophobicContact CG2-CD1 4.05Å; I852-I902 HydrophobicContact CG2-CG2 3.89Å; M863-I902 HydrophobicContact CE-CD1 4.36Å; M863-I902 HydrophobicContact SD-CD1 3.37Å; M863-I902 WeakPolarHBondContact SD-CD1 3.38Å; V894-I902 HydrophobicContact CG1-CB 4.31Å; V894-I902 HydrophobicContact CG1-CG1 4.28Å; V894-I902 HydrophobicContact CG1-CG2 4Å; T898-I902 WeakPolarHBondContact O-CG1 3.39Å; T898-I902 PolarHBondContact O-N 3.39Å; L899-I902 PolarHBondContact O-N 3.21Å; E900-I902 PolarHBondContact O-N 2.93Å; I902-N904 VanDerWaalsContact C-N 3.35Å; I902-N904 PolarHBondContact O-N 3.35Å; I902-Q905 PolarHBondContact O-N 3.46Å; I902-V906 HydrophobicContact CG2-CG2 4.32Å; I902-V906 WeakPolarHBondContact O-CB 3.49Å; I902-V906 VanDerWaalsContact O-CG2 3.24Å; I902-V906 WeakPolarHBondContact O-CG2 3.44Å; I902-V906 PolarHBondContact O-N 3.12Å
903	Y	97.8	Very high	95.8	Very high	22 Å²	22	55.4 Å²	55.4	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-47.1	176.3	-179.6	-91.9	0	0	0	111.1	V749 D752 L753 E756 L899 E900 V906 K907	V749-Y903 HydrophobicContact CG1-CD2 4.05Å; D752-Y903 HydrophobicContact CB-CD2 4.09Å; D752-Y903 HydrophobicContact CB-CE2 3.51Å; D752-Y903 PolarHBondContact O-OH 3.47Å; L753-Y903 HydrophobicContact CD2-CE2 4Å; L753-Y903 HydrophobicContact CG-CE2 3.94Å; E756-Y903 PolarHBondContact OE2-OH 2.97Å; L899-Y903 WeakPolarHBondContact O-CB 3.24Å; L899-Y903 PolarHBondContact O-N 3.29Å; E900-Y903 PolarHBondContact O-N 3.48Å; Y903-V906 PolarHBondContact O-N 2.76Å; Y903-K907 HydrophobicContact CD1-CD 4.47Å; Y903-K907 HydrophobicContact CE1-CD 3.83Å; Y903-K907 VanDerWaalsContact O-CB 3.27Å; Y903-K907 WeakPolarHBondContact O-CB 3.48Å; Y903-K907 PolarHBondContact O-N 2.93Å
904	N	97.8	Very high	95.6	Very high	76 Å²	76	55.5 Å²	55.5	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-42.7	178.6	-72.6	-43.9	0	0	0	112.3	E900 I902 K907 Q908	E900-N904 WeakPolarHBondContact O-CB 3.36Å; E900-N904 PolarHBondContact O-N 3.04Å; E900-N904 PolarHBondContact O-ND2 3.36Å; I902-N904 VanDerWaalsContact C-N 3.35Å; I902-N904 PolarHBondContact O-N 3.35Å; N904-K907 PolarHBondContact O-N 3.03Å; N904-Q908 WeakPolarHBondContact O-CB 3.42Å; N904-Q908 PolarHBondContact O-N 2.99Å
905	Q	97.5	Very high	95.2	Very high	66 Å²	66	56.8 Å²	56.8	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-43	173.5	-79.7	174.4	75.9	0	0	112.8	V894 Q895 D901 I902 Q908 V909	V894-Q905 HydrophobicContact CB-CB 4.46Å; V894-Q905 HydrophobicContact CG1-CB 3.56Å; V894-Q905 HydrophobicContact CG1-CG 4.38Å; V894-Q905 HydrophobicContact CG2-CB 4.07Å; Q895-Q905 PolarHBondContact O-NE2 2.8Å; Q895-Q905 PolarHBondContact O-OE1 3.23Å; D901-Q905 WeakPolarHBondContact O-CB 3.32Å; D901-Q905 VanDerWaalsContact O-CG 3.28Å; D901-Q905 WeakPolarHBondContact O-CG 3.47Å; D901-Q905 PolarHBondContact O-N 2.95Å; D901-Q905 VanDerWaalsContact O-N 3.08Å; D901-Q905 PolarHBondContact O-NE2 3.03Å; D901-Q905 VanDerWaalsContact O-NE2 3.1Å; I902-Q905 PolarHBondContact O-N 3.46Å; Q905-Q908 PolarHBondContact O-N 2.95Å; Q905-V909 WeakPolarHBondContact O-CB 3.47Å; Q905-V909 VanDerWaalsContact O-CG2 3.32Å; Q905-V909 WeakPolarHBondContact O-CG2 3.45Å; Q905-V909 PolarHBondContact O-N 3.31Å
906	V	98.2	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-44.8	176	168	0	0	0	0	110.7	I741 V749 L753 V850 I852 V894 I902 Y903 V909 I910	I741-V906 HydrophobicContact CD1-CG1 3.7Å; V749-V906 HydrophobicContact CG1-CB 4.29Å; V749-V906 HydrophobicContact CG1-CG1 3.9Å; V749-V906 HydrophobicContact CG1-CG2 4.43Å; L753-V906 HydrophobicContact CD1-CG1 4.26Å; V850-V906 HydrophobicContact CG1-CG2 4.05Å; I852-V906 HydrophobicContact CG1-CG2 4.5Å; V894-V906 HydrophobicContact CB-CG2 4.45Å; V894-V906 HydrophobicContact CG1-CG2 4.28Å; V894-V906 HydrophobicContact CG2-CG2 4.21Å; I902-V906 HydrophobicContact CG2-CG2 4.32Å; I902-V906 WeakPolarHBondContact O-CB 3.49Å; I902-V906 VanDerWaalsContact O-CG2 3.24Å; I902-V906 WeakPolarHBondContact O-CG2 3.44Å; I902-V906 PolarHBondContact O-N 3.12Å; Y903-V906 PolarHBondContact O-N 2.76Å; V906-V909 PolarHBondContact O-N 3.5Å; V906-I910 HydrophobicContact CG1-CD1 3.73Å; V906-I910 HydrophobicContact CG1-CG1 4.47Å; V906-I910 VanDerWaalsContact O-CG1 3.27Å; V906-I910 WeakPolarHBondContact O-CG1 3.45Å; V906-I910 PolarHBondContact O-N 3.02Å
907	K	97.6	Very high	95	Very high	55 Å²	55	62.5 Å²	62.5	24%	0.239	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-45	178.3	-178.9	171.8	170.5	-179.6	0	111.5	E756 F757 Y903 N904 I910 E911	E756-K907 IonicContact OE1-NZ 2.76Å; E756-K907 PolarHBondContact OE1-NZ 2.88Å; F757-K907 HydrophobicContact CE2-CD 4.09Å; Y903-K907 HydrophobicContact CD1-CD 4.47Å; Y903-K907 HydrophobicContact CE1-CD 3.83Å; Y903-K907 VanDerWaalsContact O-CB 3.27Å; Y903-K907 WeakPolarHBondContact O-CB 3.48Å; Y903-K907 PolarHBondContact O-N 2.93Å; N904-K907 PolarHBondContact O-N 3.03Å; K907-I910 PolarHBondContact O-N 3.4Å; K907-E911 WeakPolarHBondContact O-CB 3.43Å; K907-E911 PolarHBondContact O-N 3.12Å
908	Q	96.5	Very high	95.2	Very high	108 Å²	108	58.2 Å²	58.2	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-51.3	173.5	178.4	178.4	-7.4	0	0	111.8	N904 Q905 I910 E911 E912	N904-Q908 WeakPolarHBondContact O-CB 3.42Å; N904-Q908 PolarHBondContact O-N 2.99Å; Q905-Q908 PolarHBondContact O-N 2.95Å; Q908-I910 VanDerWaalsContact C-N 3.26Å; Q908-I910 PolarHBondContact O-N 2.86Å; Q908-E911 PolarHBondContact O-N 3.34Å; Q908-E911 VanDerWaalsContact O-N 3.11Å; Q908-E912 HydrophobicContact CG-CG 4.31Å; Q908-E912 VanDerWaalsContact CG-OE1 3.26Å; Q908-E912 WeakPolarHBondContact CG-OE1 3.39Å; Q908-E912 PolarHBondContact NE2-OE1 3.12Å; Q908-E912 WeakPolarHBondContact O-CG 3.31Å; Q908-E912 PolarHBondContact O-N 2.9Å
909	V	96.6	Very high	95.2	Very high	21 Å²	21	57.2 Å²	57.2	13%	0.127	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-39.5	178.2	163.7	0	0	0	0	111.8	I848 V850 A892 V894 Q905 V906 Q913	I848-V909 HydrophobicContact CG2-CG1 4.44Å; V850-V909 HydrophobicContact CG2-CG1 3.77Å; A892-V909 HydrophobicContact CB-CB 4.49Å; A892-V909 HydrophobicContact CB-CG1 3.67Å; A892-V909 HydrophobicContact CB-CG2 3.92Å; V894-V909 HydrophobicContact CG2-CG2 4.28Å; Q905-V909 WeakPolarHBondContact O-CB 3.47Å; Q905-V909 VanDerWaalsContact O-CG2 3.32Å; Q905-V909 WeakPolarHBondContact O-CG2 3.45Å; Q905-V909 PolarHBondContact O-N 3.31Å; V906-V909 PolarHBondContact O-N 3.5Å; V909-Q913 WeakPolarHBondContact O-CB 3.43Å; V909-Q913 WeakPolarHBondContact O-CG 3.26Å; V909-Q913 PolarHBondContact O-N 3.02Å
910	I	97.6	Very high	95.2	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-51.5	175.6	-68.1	162.7	0	0	0	109.6	V739 L753 F761 I848 V906 K907 Q908 E912 Q913 S914	V739-I910 HydrophobicContact CG1-CD1 3.86Å; V739-I910 HydrophobicContact CG1-CG1 4.24Å; V739-I910 HydrophobicContact CG2-CD1 4.39Å; V739-I910 HydrophobicContact CG2-CG1 4.32Å; V739-I910 HydrophobicContact CG2-CG2 4.33Å; L753-I910 HydrophobicContact CD1-CD1 3.83Å; F761-I910 HydrophobicContact CE1-CD1 4.12Å; F761-I910 HydrophobicContact CE1-CG2 4.03Å; F761-I910 HydrophobicContact CZ-CD1 4.38Å; F761-I910 HydrophobicContact CZ-CG2 4.05Å; I848-I910 HydrophobicContact CD1-CG2 4.2Å; I848-I910 HydrophobicContact CG2-CG1 4.35Å; V906-I910 HydrophobicContact CG1-CD1 3.73Å; V906-I910 HydrophobicContact CG1-CG1 4.47Å; V906-I910 VanDerWaalsContact O-CG1 3.27Å; V906-I910 WeakPolarHBondContact O-CG1 3.45Å; V906-I910 PolarHBondContact O-N 3.02Å; K907-I910 PolarHBondContact O-N 3.4Å; Q908-I910 VanDerWaalsContact C-N 3.26Å; Q908-I910 PolarHBondContact O-N 2.86Å; I910-E912 PolarHBondContact O-N 3.42Å; I910-Q913 CarbonylContact O-C 3.58Å; I910-Q913 WeakPolarHBondContact O-CA 3.32Å; I910-Q913 PolarHBondContact O-N 2.92Å; I910-S914 PolarHBondContact O-N 2.8Å; I910-S914 PolarHBondContact O-OG 3.28Å
911	E	95.1	Very high	95	Very high	113 Å²	113	50.9 Å²	50.9	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-43.9	-176.9	-168.7	144.7	-117.7	0	0	112.8	K760 K907 Q908 Q913 S914	K760-E911 IonicContact NZ-OE1 2.69Å; K760-E911 PolarHBondContact NZ-OE1 2.94Å; K907-E911 WeakPolarHBondContact O-CB 3.43Å; K907-E911 PolarHBondContact O-N 3.12Å; Q908-E911 PolarHBondContact O-N 3.34Å; Q908-E911 VanDerWaalsContact O-N 3.11Å; E911-Q913 PolarHBondContact O-N 2.94Å; E911-S914 PolarHBondContact O-N 3.48Å
912	E	92.8	Very high	94.7	Very high	97 Å²	97	48.8 Å²	48.8	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-29.8	173	-70.4	171.4	176.8	0	0	113	Q908 I910	Q908-E912 HydrophobicContact CG-CG 4.31Å; Q908-E912 VanDerWaalsContact CG-OE1 3.26Å; Q908-E912 WeakPolarHBondContact CG-OE1 3.39Å; Q908-E912 PolarHBondContact NE2-OE1 3.12Å; Q908-E912 WeakPolarHBondContact O-CG 3.31Å; Q908-E912 PolarHBondContact O-N 2.9Å; I910-E912 PolarHBondContact O-N 3.42Å
913	Q	94.4	Very high	93.8	Very high	50 Å²	50	59.1 Å²	59.1	23%	0.234	30%	0.297	C	S	.	.	H	α-helix	trans	-97.8	0.6	-177.1	-68.6	-71.5	-43.1	0	0	113.8	R737 I848 T891 V909 I910 E911	R737-Q913 VanDerWaalsContact CD-O 3.26Å; R737-Q913 WeakPolarHBondContact CD-O 3.49Å; R737-Q913 PolarHBondContact NH1-O 2.91Å; I848-Q913 HydrophobicContact CD1-CB 3.77Å; I848-Q913 HydrophobicContact CG1-CB 3.9Å; I848-Q913 HydrophobicContact CG2-CB 4.09Å; I848-Q913 HydrophobicContact CG2-CG 4.47Å; T891-Q913 HydrophobicContact CG2-CG 3.8Å; V909-Q913 WeakPolarHBondContact O-CB 3.43Å; V909-Q913 WeakPolarHBondContact O-CG 3.26Å; V909-Q913 PolarHBondContact O-N 3.02Å; I910-Q913 CarbonylContact O-C 3.58Å; I910-Q913 WeakPolarHBondContact O-CA 3.32Å; I910-Q913 PolarHBondContact O-N 2.92Å; E911-Q913 PolarHBondContact O-N 2.94Å
914	S	93.2	Very high	92.6	Very high	49 Å²	49	64.1 Å²	64.1	34%	0.343	32%	0.321	S	S	.	.			trans	-83.8	-4.2	-178.9	-68.2	0	0	0	0	114.9	H827 I910 E911	H827-S914 PolarHBondContact CE1-OG 3.07Å; H827-S914 PolarHBondContact NE2-OG 3.49Å; I910-S914 PolarHBondContact O-N 2.8Å; I910-S914 PolarHBondContact O-OG 3.28Å; E911-S914 PolarHBondContact O-N 3.48Å
915	G	90.1	Very high	91.3	Very high	31 Å²	31	70.1 Å²	70.1	32%	0.32	34%	0.344	S	S	.	.	S	Bend	trans	-62.7	156.6	-179.2	0	0	0	0	0	114	Y917	G915-Y917 PolarHBondContact O-N 2.98Å
916	P	90.6	Very high	89.9	Confident	73 Å²	73	69.3 Å²	69.3	47%	0.474	34%	0.341	S	S	.	.	S	Bend	trans	-69.3	-21.6	179	29.8	-35.7	0	0	0	112.8	E732 V733	E732-P916 CarbonylContact C-O 3.51Å; E732-P916 WeakPolarHBondContact CA-O 3.49Å; V733-P916 WeakPolarHBondContact CG2-O 3.43Å; V733-P916 PolarHBondContact N-O 3.33Å
917	Y	93.4	Very high	89.5	Confident	131 Å²	131	72.8 Å²	72.8	51%	0.514	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.2	173.2	-60.1	-68.2	0	0	0	110	Q731 E732 G915	Q731-Y917 WeakPolarHBondContact O-CA 3.25Å; E732-Y917 HydrophobicContact CB-CD1 3.94Å; E732-Y917 HydrophobicContact CB-CE1 3.79Å; E732-Y917 HydrophobicContact CG-CD1 4.15Å; E732-Y917 HydrophobicContact CG-CE1 3.75Å; G915-Y917 PolarHBondContact O-N 2.98Å
918	I	94.3	Very high	89	Confident	3 Å²	3	73.7 Å²	73.7	2%	0.015	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.7	-176.9	63.7	162.2	0	0	0	111.1	Q730 Q731 V733 R737 Y846 V920	Q730-I918 CarbonylContact C-O 3.58Å; Q730-I918 WeakPolarHBondContact CA-O 3.45Å; Q731-I918 HydrophobicContact CB-CG1 4.32Å; Q731-I918 PolarHBondContact N-O 3.36Å; Q731-I918 WeakPolarHBondContact O-CG1 3.37Å; Q731-I918 PolarHBondContact O-N 3.44Å; V733-I918 HydrophobicContact CG1-CD1 3.58Å; V733-I918 HydrophobicContact CG1-CG1 3.92Å; V733-I918 HydrophobicContact CG2-CD1 4.2Å; V733-I918 HydrophobicContact CG2-CG1 4.14Å; V733-I918 HydrophobicContact CG2-CG2 3.74Å; R737-I918 HydrophobicContact CG-CG2 4.44Å; Y846-I918 HydrophobicContact CD2-CD1 4.15Å; Y846-I918 HydrophobicContact CG-CD1 4.09Å; I918-V920 HydrophobicContact CD1-CG1 3.55Å; I918-V920 HydrophobicContact CG1-CG1 3.95Å
919	W	93.9	Very high	88.6	Confident	45 Å²	45	71.8 Å²	71.8	17%	0.17	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.3	173.3	-65.4	95.9	0	0	0	109.8	Y584 I611 V628 V728 Q730	Y584-W919 AromaticContact CD1-CH2 3.52Å; Y584-W919 HydrophobicContact CD1-CH2 3.52Å; Y584-W919 HydrophobicContact CD1-CZ2 4.46Å; Y584-W919 AromaticContact CD1-CZ3 3.83Å; Y584-W919 HydrophobicContact CD1-CZ3 3.83Å; Y584-W919 HydrophobicContact CD2-CH2 4.09Å; Y584-W919 AromaticContact CD2-CZ3 3.91Å; Y584-W919 HydrophobicContact CD2-CZ3 3.91Å; Y584-W919 AromaticContact CE1-CH2 3.79Å; Y584-W919 HydrophobicContact CE1-CH2 3.79Å; Y584-W919 HydrophobicContact CE1-CZ3 4.47Å; Y584-W919 HydrophobicContact CE2-CH2 4.33Å; Y584-W919 AromaticContact CG-CH2 3.68Å; Y584-W919 HydrophobicContact CG-CH2 3.68Å; Y584-W919 AromaticContact CG-CZ3 3.5Å; Y584-W919 HydrophobicContact CG-CZ3 3.5Å; I611-W919 HydrophobicContact CD1-CB 3.92Å; I611-W919 HydrophobicContact CD1-CD2 4.49Å; I611-W919 HydrophobicContact CD1-CG 3.92Å; I611-W919 HydrophobicContact CG1-CB 4.41Å; I611-W919 HydrophobicContact CG1-CD2 4.31Å; I611-W919 HydrophobicContact CG1-CG 3.89Å; I611-W919 HydrophobicContact CG2-CD2 3.86Å; I611-W919 HydrophobicContact CG2-CE3 4.13Å; I611-W919 HydrophobicContact CG2-CG 4.33Å; I611-W919 HydrophobicContact CG2-CH2 4.34Å; I611-W919 HydrophobicContact CG2-CZ2 4.1Å; I611-W919 HydrophobicContact CG2-CZ3 4.35Å; V628-W919 HydrophobicContact CG1-CZ2 4.03Å; V728-W919 HydrophobicContact CB-CB 4.44Å; V728-W919 HydrophobicContact CB-CE3 4.23Å; V728-W919 HydrophobicContact CG2-CD2 4.43Å; V728-W919 HydrophobicContact CG2-CE3 3.7Å; V728-W919 HydrophobicContact CG2-CZ3 4.36Å; Q730-W919 HydrophobicContact CB-CD2 4.36Å; Q730-W919 HydrophobicContact CB-CE3 4.02Å; Q730-W919 HydrophobicContact CB-CH2 3.83Å; Q730-W919 HydrophobicContact CB-CZ2 4.16Å; Q730-W919 HydrophobicContact CB-CZ3 3.76Å; Q730-W919 HydrophobicContact CG-CD2 4.35Å; Q730-W919 HydrophobicContact CG-CH2 4.21Å; Q730-W919 HydrophobicContact CG-CZ2 4.01Å; Q730-W919 HydrophobicContact CG-CZ3 4.45Å
920	V	93.5	Very high	88.2	Confident	9 Å²	9	74.8 Å²	74.8	6%	0.055	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	146.4	-178.4	-61.8	0	0	0	0	111	V728 N729 Q731 Y846 I918 A922	V728-V920 CarbonylContact C-O 3.56Å; V728-V920 VanDerWaalsContact CA-O 3.25Å; V728-V920 WeakPolarHBondContact CA-O 3.3Å; V728-V920 WeakPolarHBondContact CB-O 3.44Å; N729-V920 PolarHBondContact N-O 3.43Å; N729-V920 PolarHBondContact O-N 3.27Å; Q731-V920 HydrophobicContact CB-CG2 4.15Å; Y846-V920 HydrophobicContact CD1-CB 4.17Å; Y846-V920 HydrophobicContact CD1-CG1 3.58Å; Y846-V920 HydrophobicContact CD2-CG1 4Å; Y846-V920 HydrophobicContact CE1-CB 3.77Å; Y846-V920 HydrophobicContact CE1-CG1 3.6Å; Y846-V920 HydrophobicContact CE2-CG1 4Å; Y846-V920 HydrophobicContact CG-CG1 3.78Å; I918-V920 HydrophobicContact CD1-CG1 3.55Å; I918-V920 HydrophobicContact CG1-CG1 3.95Å; V920-A922 PolarHBondContact O-N 3.2Å
921	P	91	Very high	87.6	Confident	46 Å²	46	79.2 Å²	79.2	30%	0.299	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	128.3	177.2	-25.7	35.1	0	0	0	112.1	E726	E726-P921 HydrophobicContact CG-CB 4.42Å; E726-P921 WeakPolarHBondContact OE1-CG 3.29Å
922	A	89.1	Confident	87.1	Confident	24 Å²	24	76.9 Å²	76.9	20%	0.198	38%	0.383	C	S	.	.			trans	-77.2	155	179.7	0	0	0	0	0	111.6	P727 V920	P727-A922 HydrophobicContact CB-CB 4.08Å; P727-A922 HydrophobicContact CG-CB 4.34Å; P727-A922 WeakPolarHBondContact O-CB 3.45Å; P727-A922 PolarHBondContact O-N 3.01Å; V920-A922 PolarHBondContact O-N 3.2Å
923	K	77.9	Confident	86.7	Confident	218 Å²	218	75.5 Å²	75.5	95%	0.948	38%	0.378	S	S	*	.	S	Bend	trans	-80.4	-18.5	175.5	-65.2	-179.9	-178.3	174.6	0	113.4
924	E	72.6	Confident	86.1	Confident	127 Å²	127	77.5 Å²	77.5	59%	0.593	39%	0.389	S	S	*	.	S	Bend	trans	-74.3	153.2	173.1	-62	-157.7	167.3	0	0	110.6	R581 P727	R581-E924 IonicContact NH1-OE1 2.66Å; R581-E924 PolarHBondContact NH1-OE1 3.01Å; R581-E924 IonicContact NH1-OE2 3.74Å; R581-E924 PolarHBondContact NH1-OE2 3.24Å; P727-E924 WeakPolarHBondContact CG-O 3.37Å
925	K	72.1	Confident	85.5	Confident	203 Å²	203	79.8 Å²	79.8	88%	0.883	39%	0.393	S	S	*	.			trans	-107.1	134.1	175.1	-69.3	-171	175.7	-172	0	110.7
926	L	67	Low	85.1	Confident	48 Å²	48	84.3 Å²	84.3	25%	0.251	40%	0.4	S	S	.	.			trans	-65.2	0	164.5	-67.3	170	0	0	0	111.7	L583 V585 W623 K643 Y725 P727	L583-L926 HydrophobicContact CD1-CD2 3.6Å; L583-L926 HydrophobicContact CD2-CD2 4.01Å; L583-L926 HydrophobicContact CG-CD2 4.5Å; V585-L926 HydrophobicContact CG1-CD1 3.78Å; V585-L926 HydrophobicContact CG1-CD2 4.03Å; V585-L926 HydrophobicContact CG1-CG 4.5Å; W623-L926 HydrophobicContact CH2-CD2 4.44Å; K643-L926 HydrophobicContact CD-CB 3.67Å; K643-L926 HydrophobicContact CD-CD1 4.34Å; K643-L926 PolarHBondContact NZ-O 2.61Å; Y725-L926 WeakPolarHBondContact O-CD1 3.48Å; P727-L926 HydrophobicContact CB-CD1 4.27Å; P727-L926 HydrophobicContact CB-CD2 4.34Å; P727-L926 HydrophobicContact CB-CG 3.91Å; P727-L926 HydrophobicContact CG-CD1 4.37Å; P727-L926 HydrophobicContact CG-CG 4.01Å

Retrieved 926 of 926 residues in 322.5 ms (Link to these results)

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