A0A087WTU7_HUMAN Loading...

Dystrophin

Anchors the extracellular matrix to the cytoskeleton via F-actin. Ligand for dystroglycan. Component of the dystrophin-associated glycoprotein complex which accumulates at the neuromuscular junction (NMJ) and at a variety of synapses in the peripheral and central nervous systems and has a structural function in stabilizing the sarcolemma. Also implicated in signaling events and synaptic transmission.

AlphaFold DB , UniProt , Accession A0A087WTU7, Species HUMAN (Homo sapiens, Human), Gene DMD, Length 1,154 aa.

						>A0A087WTU7_HUMAN|A0A087WTU7|DMD
MPSSLMLEVPALADFNRAWTELTDWLSLLDQVIKSQRVMVGDLEDINEMIIKQKATMQDLEQRRPQLEELITAAQNLKNKTSNQEARTIITDRIERIQNQWDEVQEHLQNRRQQLNEMLKDSTQWLEAKEEAEQVLGQARAKLESWKEGPYTVDAIQKKITETKQLAKDLRQWQTNVDVANDLALKLLRDYSADDTRKVHMITENINASWRSIHKRVSEREAALEETHRLLQQFPLDLEKFLAWLTEAETTANVLQDATRKERLLEDSKGVKELMKQWQDLQGEIEAHTDVYHNLDENSQKILRSLEGSDDAVLLQRRLDNMNFKWSELRKKSLNIRSHLEASSDQWKRLHLSLQELLVWLQLKDDELSRQAPIGGDFPAVQKQNDVHRAFKRELKTKEPVIMSTLETVRIFLTEQPLEGLEKLYQEPRELPPEERAQNVTRLLRKQAEEVNTEWEKLNLHSADWQRKIDETLERLRELQEATDELDLKLRQAEVIKGSWQPVGDLLIDSLQDHLEKVKALRGEIAPLKENVSHVNDLARQLTTLGIQLSPYNLSTLEDLNTRWKLLQVAVEDRVRQLHEAHRDFGPASQHFLSTSVQGPWERAISPNKVPYYINHETQTTCWDHPKMTELYQSLADLNNVRFSAYRTAMKLRRLQKALCLDLLSLSAACDALDQHNLKQNDQPMDILQIINCLTTIYDRLEQEHNNLVNVPLCVDMCLNWLLNVYDTGRTGRIRVLSFKTGIISLCKAHLEDKYRYLFKQVASSTGFCDQRRLGLLLHDSIQIPRQLGEVASFGGSNIEPSVRSCFQFANNKPEIEAALFLDWMRLEPQSMVWLPVLHRVAAAETAKHQAKCNICKECPIIGFRYRSLKHFNYDICQSCFFSGRVAKGHKMHYPMVEYCTPTTSGEDVRDFAKVLKNKFRTKRYFAKHPRMGYLPVQTVLEGDNMETPASSPQLSHDDTHSRIEHYASRLAEMENSNGSYLNDSISPNESIDDEHLLIQHYCQSLNQDSPLSQPRSPAQILISLESEERGELERILADLEEENRNLQAEYDRLKQQHEHKGLSPLPSPPEMMPTSPQSPRDAELIAEAKLLRQHKGRLEARMQILEDHNKQKKYPWKANERGHNVGSLFHMADDLGRAMESLVSVMTDEEGAE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	47.5	Very low	182 Å²	182	127 Å²	127	90%	0.897	72%	0.723	S	S	*	*				0	133.9	0	-66.7	-66.1	-175.3	0	0	106.8	S3	M1-S3 VanDerWaalsContact SD-CA 3.52Å; M1-S3 PolarHBondContact SD-N 3.46Å; M1-S3 PolarHBondContact SD-OG 3.18Å; M1-S3 VanDerWaalsContact SD-OG 3.4Å
2	P	40	Very low	49.8	Very low	133 Å²	133	121.3 Å²	121.3	86%	0.864	69%	0.688	S	S	*	*			cis	-77.4	118.1	35.9	30.4	-33.2	0	0	0	110.4
3	S	46.5	Very low	51.9	Low	84 Å²	84	116.5 Å²	116.5	59%	0.587	67%	0.673	S	S	*	*	S	Bend		72.8	45.6	67.5	-59	0	0	0	0	113.1	M1	M1-S3 VanDerWaalsContact SD-CA 3.52Å; M1-S3 PolarHBondContact SD-N 3.46Å; M1-S3 PolarHBondContact SD-OG 3.18Å; M1-S3 VanDerWaalsContact SD-OG 3.4Å
4	S	38.4	Very low	53.8	Low	108 Å²	108	114.3 Å²	114.3	76%	0.755	66%	0.657	S	S	*	*			trans	-171.6	95.6	141.5	4.5	0	0	0	0	109.1
5	L	40	Very low	55.8	Low	150 Å²	150	107.1 Å²	107.1	79%	0.785	62%	0.616	S	S	*	*			trans	171.8	48	149.7	-89.1	157	0	0	0	108.6
6	M	48	Very low	57.6	Low	158 Å²	158	103.4 Å²	103.4	78%	0.778	59%	0.593	S	S	*	*			trans	-86.6	128.4	149.4	-84.5	-116.8	148.8	0	0	105.7
7	L	43.4	Very low	59.2	Low	165 Å²	165	105.8 Å²	105.8	86%	0.864	59%	0.59	S	S	*	*			trans	114.6	77.2	176.6	-65.8	153.3	0	0	0	112.4
8	E	44	Very low	60.6	Low	182 Å²	182	102.2 Å²	102.2	85%	0.85	58%	0.576	S	S	*	*	S	Bend		-175.5	141.4	109.7	-95.6	173.6	-178.3	0	0	110.6
9	V	57.6	Low	62.1	Low	83 Å²	83	99.1 Å²	99.1	50%	0.503	55%	0.554	S	S	.	*			trans	87.1	99.5	169.8	-153.7	0	0	0	0	118.5	A11 L12	V9-A11 HydrophobicContact CG1-CB 3.77Å; V9-A11 PolarHBondContact O-N 3.11Å; V9-A11 VanDerWaalsContact O-N 3.08Å; V9-L12 PolarHBondContact O-N 3.06Å
10	P	64	Low	63.4	Low	106 Å²	106	97.1 Å²	97.1	69%	0.688	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-32.2	169.9	-29.4	35.5	0	0	0	115.1	L12 A13 D14	P10-L12 PolarHBondContact O-N 3.36Å; P10-L12 VanDerWaalsContact O-N 3.15Å; P10-A13 PolarHBondContact O-N 3.32Å; P10-A13 VanDerWaalsContact O-N 3.13Å; P10-D14 PolarHBondContact O-N 3.36Å
11	A	66.2	Low	64.6	Low	46 Å²	46	98.3 Å²	98.3	38%	0.38	55%	0.546	S	S	.	.	H	α-helix	trans	-60.3	-24.5	-178.5	0	0	0	0	0	114.5	V9 F15 L77	V9-A11 HydrophobicContact CG1-CB 3.77Å; V9-A11 PolarHBondContact O-N 3.11Å; V9-A11 VanDerWaalsContact O-N 3.08Å; A11-F15 WeakPolarHBondContact O-CB 3.35Å; A11-F15 PolarHBondContact O-N 3Å; A11-F15 VanDerWaalsContact O-N 3.12Å; A11-L77 HydrophobicContact CB-CD2 3.82Å
12	L	75.5	Confident	67.1	Low	59 Å²	59	90.1 Å²	90.1	31%	0.309	51%	0.506	S	S	.	.	H	α-helix	trans	-73.4	-34.9	176.8	-174.8	65.5	0	0	0	112.5	V9 P10 F15 N16 L77 I90	V9-L12 PolarHBondContact O-N 3.06Å; P10-L12 PolarHBondContact O-N 3.36Å; P10-L12 VanDerWaalsContact O-N 3.15Å; L12-F15 HydrophobicContact CD1-CD1 4.39Å; L12-N16 VanDerWaalsContact O-CG 3.22Å; L12-N16 PolarHBondContact O-N 2.88Å; L12-N16 VanDerWaalsContact O-N 3.11Å; L12-N16 PolarHBondContact O-ND2 2.76Å; L12-L77 HydrophobicContact CB-CD2 4.43Å; L12-L77 HydrophobicContact CD1-CD1 4.3Å; L12-I90 HydrophobicContact CD1-CD1 3.8Å; L12-I90 HydrophobicContact CD1-CG1 4.11Å
13	A	76.9	Confident	69.5	Low	59 Å²	59	84.8 Å²	84.8	49%	0.488	47%	0.471	S	S	.	.	H	α-helix	trans	-70.8	-39.3	177.8	0	0	0	0	0	111.3	P10 N16 R17	P10-A13 PolarHBondContact O-N 3.32Å; P10-A13 VanDerWaalsContact O-N 3.13Å; A13-N16 PolarHBondContact O-N 2.88Å; A13-R17 PolarHBondContact O-N 3.41Å; A13-R17 VanDerWaalsContact O-N 3.08Å
14	D	79.1	Confident	71.5	Confident	85 Å²	85	85.7 Å²	85.7	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-67.4	-41.1	176.4	-65	-30.6	0	0	0	111.6	P10 N16 R17 A18	P10-D14 PolarHBondContact O-N 3.36Å; D14-N16 PolarHBondContact O-N 2.94Å; D14-R17 PolarHBondContact O-N 3.13Å; D14-R17 IonicContact OD1-NH2 2.77Å; D14-A18 PolarHBondContact O-N 3.21Å
15	F	83.9	Confident	74.1	Confident	7 Å²	7	83.2 Å²	83.2	3%	0.031	44%	0.443	C	S	.	.	H	α-helix	trans	-58	-47	171.5	166.6	-103.6	0	0	0	112.4	A11 L12 R17 A18 W19 L70 A74 L77 I90 I94	A11-F15 WeakPolarHBondContact O-CB 3.35Å; A11-F15 PolarHBondContact O-N 3Å; A11-F15 VanDerWaalsContact O-N 3.12Å; L12-F15 HydrophobicContact CD1-CD1 4.39Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 2.86Å; F15-A18 PolarHBondContact O-N 3.4Å; F15-W19 WeakPolarHBondContact O-CB 3.37Å; F15-W19 PolarHBondContact O-N 2.6Å; F15-L70 HydrophobicContact CD2-CD1 3.82Å; F15-L70 HydrophobicContact CD2-CG 4.13Å; F15-L70 HydrophobicContact CE2-CD1 4.01Å; F15-L70 HydrophobicContact CE2-CD2 4.49Å; F15-L70 HydrophobicContact CE2-CG 3.85Å; F15-A74 HydrophobicContact CD2-CB 3.98Å; F15-A74 HydrophobicContact CE2-CB 3.33Å; F15-A74 HydrophobicContact CZ-CB 3.71Å; F15-L77 HydrophobicContact CB-CD1 3.43Å; F15-L77 VanDerWaalsContact CB-CD1 3.43Å; F15-L77 HydrophobicContact CD1-CD1 4.16Å; F15-L77 HydrophobicContact CD2-CD1 4.38Å; F15-L77 HydrophobicContact CG-CD1 3.73Å; F15-I90 HydrophobicContact CE1-CG1 4.34Å; F15-I90 HydrophobicContact CE1-CG2 4.19Å; F15-I90 HydrophobicContact CZ-CG2 4.21Å; F15-I94 HydrophobicContact CZ-CG1 4.47Å
16	N	84	Confident	76.4	Confident	47 Å²	47	76.1 Å²	76.1	25%	0.251	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-35	-179.5	-72.6	-26.8	0	0	0	112.6	L12 A13 D14 T20 R93	L12-N16 VanDerWaalsContact O-CG 3.22Å; L12-N16 PolarHBondContact O-N 2.88Å; L12-N16 VanDerWaalsContact O-N 3.11Å; L12-N16 PolarHBondContact O-ND2 2.76Å; A13-N16 PolarHBondContact O-N 2.88Å; D14-N16 PolarHBondContact O-N 2.94Å; N16-T20 PolarHBondContact O-N 3.04Å; N16-T20 VanDerWaalsContact O-N 3.14Å; N16-T20 PolarHBondContact O-OG1 3.39Å; N16-R93 PolarHBondContact OD1-NH1 3.35Å
17	R	85.5	Confident	78.4	Confident	145 Å²	145	71 Å²	71	55%	0.547	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-51	175.7	-170.3	-173.5	-51.3	153.5	16.9	111.1	A13 D14 F15 W19 T20 E21	A13-R17 PolarHBondContact O-N 3.41Å; A13-R17 VanDerWaalsContact O-N 3.08Å; D14-R17 PolarHBondContact O-N 3.13Å; D14-R17 IonicContact OD1-NH2 2.77Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 2.86Å; R17-W19 VanDerWaalsContact C-N 3.27Å; R17-W19 PolarHBondContact O-N 3.06Å; R17-T20 PolarHBondContact O-N 2.94Å; R17-E21 WeakPolarHBondContact CG-OE1 3.29Å; R17-E21 WeakPolarHBondContact O-CG 3.34Å; R17-E21 PolarHBondContact O-N 3.31Å
18	A	84.6	Confident	80.6	Confident	40 Å²	40	68 Å²	68	33%	0.331	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-34.6	179.4	0	0	0	0	0	112.3	D14 F15 L22 L70	D14-A18 PolarHBondContact O-N 3.21Å; F15-A18 PolarHBondContact O-N 3.4Å; A18-L22 WeakPolarHBondContact O-CB 3.32Å; A18-L22 PolarHBondContact O-N 3.45Å; A18-L22 VanDerWaalsContact O-N 3.15Å; A18-L70 HydrophobicContact CB-CD1 3.49Å; A18-L70 VanDerWaalsContact CB-CD1 3.49Å
19	W	89.1	Confident	82.8	Confident	43 Å²	43	60 Å²	60	16%	0.163	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-50.9	173.1	-179.8	87.1	0	0	0	111.9	F15 R17 E21 L22 T23 L70 R93 I97	F15-W19 WeakPolarHBondContact O-CB 3.37Å; F15-W19 PolarHBondContact O-N 2.6Å; R17-W19 VanDerWaalsContact C-N 3.27Å; R17-W19 PolarHBondContact O-N 3.06Å; W19-E21 PolarHBondContact O-N 3.43Å; W19-L22 PolarHBondContact O-N 3.45Å; W19-T23 WeakPolarHBondContact O-CB 3.42Å; W19-T23 PolarHBondContact O-N 3.12Å; W19-T23 PolarHBondContact O-OG1 3.11Å; W19-L70 HydrophobicContact CB-CD1 4.35Å; W19-L70 HydrophobicContact CB-CD2 4.05Å; W19-L70 HydrophobicContact CG-CD2 4.41Å; W19-R93 HydrophobicContact CD2-CB 4.43Å; W19-R93 HydrophobicContact CD2-CG 4.44Å; W19-R93 HydrophobicContact CZ2-CB 4.3Å; W19-R93 HydrophobicContact CZ2-CG 4.07Å; W19-R93 PolarHBondContact NE1-O 2.71Å; W19-I97 HydrophobicContact CG-CD1 4.37Å
20	T	87.5	Confident	84.2	Confident	60 Å²	60	57.4 Å²	57.4	37%	0.368	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-44.4	179.2	-54.8	0	0	0	0	111.6	N16 R17 L22 T23 D24	N16-T20 PolarHBondContact O-N 3.04Å; N16-T20 VanDerWaalsContact O-N 3.14Å; N16-T20 PolarHBondContact O-OG1 3.39Å; R17-T20 PolarHBondContact O-N 2.94Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 PolarHBondContact O-N 3.42Å; T20-T23 PolarHBondContact O-N 3.48Å; T20-D24 WeakPolarHBondContact O-CB 3.33Å; T20-D24 PolarHBondContact O-N 3.37Å
21	E	88.2	Confident	85.4	Confident	122 Å²	122	58.8 Å²	58.8	57%	0.57	31%	0.314	S	S	*	.	H	α-helix	trans	-58.6	-43.5	178.7	-74.5	174.6	-167.9	0	0	112.1	R17 W19 W25	R17-E21 WeakPolarHBondContact CG-OE1 3.29Å; R17-E21 WeakPolarHBondContact O-CG 3.34Å; R17-E21 PolarHBondContact O-N 3.31Å; W19-E21 PolarHBondContact O-N 3.43Å; E21-W25 WeakPolarHBondContact O-CB 3.3Å; E21-W25 PolarHBondContact O-N 3.38Å; E21-W25 VanDerWaalsContact O-N 3.1Å
22	L	87.3	Confident	86.4	Confident	11 Å²	11	59.3 Å²	59.3	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-73.6	-37.8	179.8	-172.5	65.8	0	0	0	112.1	A18 W19 T20 W25 L26 L67 L70 I97 W101	A18-L22 WeakPolarHBondContact O-CB 3.32Å; A18-L22 PolarHBondContact O-N 3.45Å; A18-L22 VanDerWaalsContact O-N 3.15Å; W19-L22 PolarHBondContact O-N 3.45Å; T20-L22 VanDerWaalsContact C-N 3.33Å; T20-L22 PolarHBondContact O-N 3.42Å; L22-W25 HydrophobicContact CD1-CE3 3.93Å; L22-W25 HydrophobicContact CD1-CZ3 4.42Å; L22-W25 PolarHBondContact O-N 3.43Å; L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CG 3.24Å; L22-L26 PolarHBondContact O-N 2.95Å; L22-L67 HydrophobicContact CD2-CB 4Å; L22-L67 HydrophobicContact CD2-CD1 4Å; L22-L70 HydrophobicContact CD2-CD2 4.35Å; L22-I97 HydrophobicContact CB-CD1 3.75Å; L22-I97 HydrophobicContact CD2-CD1 3.76Å; L22-I97 HydrophobicContact CD2-CG1 4.46Å; L22-I97 HydrophobicContact CG-CD1 3.83Å; L22-W101 HydrophobicContact CD1-CZ3 4.19Å
23	T	89	Confident	87	Confident	20 Å²	20	57 Å²	57	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-43.9	173.6	-72.1	0	0	0	0	112.6	W19 T20 W25 L26 S27 I97	W19-T23 WeakPolarHBondContact O-CB 3.42Å; W19-T23 PolarHBondContact O-N 3.12Å; W19-T23 PolarHBondContact O-OG1 3.11Å; T20-T23 PolarHBondContact O-N 3.48Å; T23-W25 VanDerWaalsContact C-N 3.33Å; T23-L26 PolarHBondContact O-N 3.25Å; T23-S27 WeakPolarHBondContact O-CB 3.46Å; T23-S27 PolarHBondContact O-N 3.15Å; T23-S27 PolarHBondContact O-OG 3.19Å; T23-I97 WeakPolarHBondContact OG1-CD1 3.42Å
24	D	89.3	Confident	87.4	Confident	103 Å²	103	60.8 Å²	60.8	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-65.6	-40.7	177.8	-75.2	-13.2	0	0	0	110.4	T20 S27 L28	T20-D24 WeakPolarHBondContact O-CB 3.33Å; T20-D24 PolarHBondContact O-N 3.37Å; D24-S27 PolarHBondContact O-N 2.82Å; D24-L28 PolarHBondContact O-N 2.8Å
25	W	91.9	Very high	87.8	Confident	57 Å²	57	60.5 Å²	60.5	22%	0.216	31%	0.31	C	S	.	.	H	α-helix	trans	-64.8	-43.4	175.8	176.8	79.1	0	0	0	112.5	E21 L22 T23 S27 L28 L29 L60 R63 W101	E21-W25 WeakPolarHBondContact O-CB 3.3Å; E21-W25 PolarHBondContact O-N 3.38Å; E21-W25 VanDerWaalsContact O-N 3.1Å; L22-W25 HydrophobicContact CD1-CE3 3.93Å; L22-W25 HydrophobicContact CD1-CZ3 4.42Å; L22-W25 PolarHBondContact O-N 3.43Å; T23-W25 VanDerWaalsContact C-N 3.33Å; W25-S27 VanDerWaalsContact C-N 3.31Å; W25-S27 PolarHBondContact O-N 3.36Å; W25-L28 PolarHBondContact O-N 3.17Å; W25-L29 HydrophobicContact CH2-CD2 3.64Å; W25-L29 HydrophobicContact CZ2-CD1 4.31Å; W25-L29 HydrophobicContact CZ2-CD2 3.94Å; W25-L29 HydrophobicContact CZ3-CD2 4.28Å; W25-L29 WeakPolarHBondContact O-CB 3.41Å; W25-L29 PolarHBondContact O-N 3.09Å; W25-L60 HydrophobicContact CH2-CB 4.28Å; W25-L60 HydrophobicContact CH2-CD1 3.62Å; W25-L60 HydrophobicContact CZ3-CD1 3.67Å; W25-R63 HydrophobicContact CH2-CB 4.15Å; W25-R63 HydrophobicContact CH2-CG 3.99Å; W25-R63 HydrophobicContact CZ2-CG 4.08Å; W25-R63 HydrophobicContact CZ3-CB 4.18Å; W25-R63 HydrophobicContact CZ3-CG 4.3Å; W25-W101 HydrophobicContact CZ3-CH2 4.41Å; W25-W101 AromaticContact CZ3-CZ3 3.91Å; W25-W101 HydrophobicContact CZ3-CZ3 3.91Å
26	L	89.6	Confident	88.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-40	173.4	-76.7	171.9	0	0	0	112.1	L22 T23 L29 D30 L60 I97 Q100 W101 V104	L22-L26 WeakPolarHBondContact O-CB 3.47Å; L22-L26 WeakPolarHBondContact O-CG 3.24Å; L22-L26 PolarHBondContact O-N 2.95Å; T23-L26 PolarHBondContact O-N 3.25Å; L26-L29 PolarHBondContact O-N 2.97Å; L26-D30 PolarHBondContact O-N 3.32Å; L26-L60 HydrophobicContact CD2-CD1 3.81Å; L26-I97 HydrophobicContact CD1-CG1 3.96Å; L26-Q100 HydrophobicContact CB-CG 4.15Å; L26-Q100 HydrophobicContact CD1-CB 4.34Å; L26-Q100 HydrophobicContact CD1-CG 4.19Å; L26-W101 HydrophobicContact CD1-CB 4.17Å; L26-W101 HydrophobicContact CD1-CE3 4.06Å; L26-W101 HydrophobicContact CD2-CD2 4.25Å; L26-W101 HydrophobicContact CD2-CE3 3.66Å; L26-W101 HydrophobicContact CD2-CZ3 4.18Å; L26-W101 HydrophobicContact CG-CE3 4.24Å; L26-V104 HydrophobicContact CB-CG2 4.3Å; L26-V104 HydrophobicContact CD2-CB 4.2Å; L26-V104 HydrophobicContact CD2-CG1 4.24Å; L26-V104 HydrophobicContact CD2-CG2 4.18Å
27	S	90.2	Very high	88.3	Confident	52 Å²	52	66.9 Å²	66.9	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-41.7	176.2	-53.2	0	0	0	0	111.9	T23 D24 W25 L29 D30 Q31 Q100	T23-S27 WeakPolarHBondContact O-CB 3.46Å; T23-S27 PolarHBondContact O-N 3.15Å; T23-S27 PolarHBondContact O-OG 3.19Å; D24-S27 PolarHBondContact O-N 2.82Å; W25-S27 VanDerWaalsContact C-N 3.31Å; W25-S27 PolarHBondContact O-N 3.36Å; S27-L29 VanDerWaalsContact C-N 3.34Å; S27-D30 PolarHBondContact O-N 2.92Å; S27-Q31 PolarHBondContact O-N 3.23Å; S27-Q31 VanDerWaalsContact O-N 3.09Å; S27-Q100 PolarHBondContact OG-NE2 2.93Å
28	L	89.8	Confident	88.7	Confident	102 Å²	102	60.1 Å²	60.1	53%	0.534	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-42	174.1	-178.8	67.4	0	0	0	111	D24 W25 Q31 V32	D24-L28 PolarHBondContact O-N 2.8Å; W25-L28 PolarHBondContact O-N 3.17Å; L28-Q31 PolarHBondContact O-N 3.35Å; L28-V32 WeakPolarHBondContact O-CG2 3.2Å; L28-V32 PolarHBondContact O-N 3.43Å
29	L	89	Confident	89	Confident	14 Å²	14	61.3 Å²	61.3	7%	0.073	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-43.8	178.9	-159.7	67.8	0	0	0	111.7	W25 L26 S27 Q31 V32 I33 T56 L60 V104	W25-L29 HydrophobicContact CH2-CD2 3.64Å; W25-L29 HydrophobicContact CZ2-CD1 4.31Å; W25-L29 HydrophobicContact CZ2-CD2 3.94Å; W25-L29 HydrophobicContact CZ3-CD2 4.28Å; W25-L29 WeakPolarHBondContact O-CB 3.41Å; W25-L29 PolarHBondContact O-N 3.09Å; L26-L29 PolarHBondContact O-N 2.97Å; S27-L29 VanDerWaalsContact C-N 3.34Å; L29-Q31 VanDerWaalsContact C-N 3.3Å; L29-Q31 PolarHBondContact O-N 3.27Å; L29-V32 WeakPolarHBondContact O-CB 3.33Å; L29-V32 PolarHBondContact O-N 3.01Å; L29-V32 VanDerWaalsContact O-N 3.16Å; L29-I33 HydrophobicContact CG-CD1 4.49Å; L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 3.31Å; L29-T56 HydrophobicContact CD1-CG2 3.35Å; L29-T56 HydrophobicContact CD2-CG2 4.4Å; L29-T56 HydrophobicContact CG-CG2 4.02Å; L29-L60 HydrophobicContact CD2-CB 4.13Å; L29-L60 HydrophobicContact CD2-CD1 3.91Å; L29-L60 HydrophobicContact CD2-CG 4.42Å; L29-V104 HydrophobicContact CB-CG1 4.24Å; L29-V104 HydrophobicContact CD2-CG1 3.79Å; L29-V104 HydrophobicContact CG-CG1 4.22Å
30	D	88.1	Confident	89.2	Confident	28 Å²	28	59.2 Å²	59.2	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-40	174.1	-172.1	56.5	0	0	0	112	L26 S27 I33 K34 V104 H107	L26-D30 PolarHBondContact O-N 3.32Å; S27-D30 PolarHBondContact O-N 2.92Å; D30-I33 PolarHBondContact O-N 3.05Å; D30-K34 WeakPolarHBondContact O-CG 3.44Å; D30-K34 PolarHBondContact O-N 3.31Å; D30-K34 IonicContact OD1-NZ 3.83Å; D30-K34 VanDerWaalsContact OD2-CE 3.28Å; D30-K34 WeakPolarHBondContact OD2-CE 3.36Å; D30-K34 IonicContact OD2-NZ 2.86Å; D30-K34 PolarHBondContact OD2-NZ 3.39Å; D30-V104 HydrophobicContact CB-CG2 4.06Å; D30-H107 IonicContact OD1-CE1 3.27Å; D30-H107 IonicContact OD1-CG 3.24Å; D30-H107 IonicContact OD1-ND1 3.49Å; D30-H107 PolarHBondContact OD1-ND1 3.13Å
31	Q	87.7	Confident	89.3	Confident	135 Å²	135	56.4 Å²	56.4	63%	0.631	28%	0.28	S	S	*	.	H	α-helix	trans	-66.5	-40.1	174.7	-169.5	176.2	8.6	0	0	112.2	S27 L28 L29 K34 S35	S27-Q31 PolarHBondContact O-N 3.23Å; S27-Q31 VanDerWaalsContact O-N 3.09Å; L28-Q31 PolarHBondContact O-N 3.35Å; L29-Q31 VanDerWaalsContact C-N 3.3Å; L29-Q31 PolarHBondContact O-N 3.27Å; Q31-K34 PolarHBondContact O-N 3.19Å; Q31-S35 WeakPolarHBondContact O-CB 3.32Å; Q31-S35 PolarHBondContact O-N 3.2Å
32	V	88.6	Confident	89.5	Confident	57 Å²	57	52.6 Å²	52.6	35%	0.345	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-47.6	174	169.8	0	0	0	0	110	L28 L29 K34 S35 Q36	L28-V32 WeakPolarHBondContact O-CG2 3.2Å; L28-V32 PolarHBondContact O-N 3.43Å; L29-V32 WeakPolarHBondContact O-CB 3.33Å; L29-V32 PolarHBondContact O-N 3.01Å; L29-V32 VanDerWaalsContact O-N 3.16Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 3.04Å; V32-S35 WeakPolarHBondContact CA-OG 3.41Å; V32-S35 WeakPolarHBondContact O-CA 3.4Å; V32-S35 PolarHBondContact O-N 3.06Å; V32-S35 PolarHBondContact O-OG 3.13Å; V32-Q36 WeakPolarHBondContact O-CG 3.32Å; V32-Q36 PolarHBondContact O-N 3.24Å
33	I	87.5	Confident	89.7	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-56.5	-46.7	177.1	-65.7	162.4	0	0	0	110.7	L29 D30 S35 Q36 V104 H107 L108 R111	L29-I33 HydrophobicContact CG-CD1 4.49Å; L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 3.31Å; D30-I33 PolarHBondContact O-N 3.05Å; I33-S35 PolarHBondContact O-N 2.66Å; I33-Q36 WeakPolarHBondContact O-CB 3.21Å; I33-Q36 PolarHBondContact O-N 3.32Å; I33-V104 HydrophobicContact CD1-CG1 4Å; I33-H107 HydrophobicContact CG2-CB 4.42Å; I33-L108 HydrophobicContact CD1-CB 3.75Å; I33-L108 HydrophobicContact CD1-CD1 3.77Å; I33-L108 HydrophobicContact CD1-CG 4.23Å; I33-L108 HydrophobicContact CG1-CD1 3.66Å; I33-R111 HydrophobicContact CG2-CB 4.13Å; I33-R111 HydrophobicContact CG2-CG 4.45Å
34	K	85.8	Confident	89.9	Confident	137 Å²	137	60.4 Å²	60.4	60%	0.596	30%	0.3	S	S	*	.	H	α-helix	trans	-63.9	-25.1	177.2	-73.7	168.6	177.2	164	0	113.7	D30 Q31 V32	D30-K34 WeakPolarHBondContact O-CG 3.44Å; D30-K34 PolarHBondContact O-N 3.31Å; D30-K34 IonicContact OD1-NZ 3.83Å; D30-K34 VanDerWaalsContact OD2-CE 3.28Å; D30-K34 WeakPolarHBondContact OD2-CE 3.36Å; D30-K34 IonicContact OD2-NZ 2.86Å; D30-K34 PolarHBondContact OD2-NZ 3.39Å; Q31-K34 PolarHBondContact O-N 3.19Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 3.04Å
35	S	87.4	Confident	90.1	Very high	79 Å²	79	58 Å²	58	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-87.2	-10.2	177.9	76.6	0	0	0	0	114.6	Q31 V32 I33 R37	Q31-S35 WeakPolarHBondContact O-CB 3.32Å; Q31-S35 PolarHBondContact O-N 3.2Å; V32-S35 WeakPolarHBondContact CA-OG 3.41Å; V32-S35 WeakPolarHBondContact O-CA 3.4Å; V32-S35 PolarHBondContact O-N 3.06Å; V32-S35 PolarHBondContact O-OG 3.13Å; I33-S35 PolarHBondContact O-N 2.66Å; S35-R37 PolarHBondContact O-N 3.28Å
36	Q	88.9	Confident	90.1	Very high	11 Å²	11	55.3 Å²	55.3	5%	0.051	28%	0.277	C	S	.	.			trans	-71.2	69.2	179.9	-71.7	175.6	-6.2	0	0	111.2	V32 I33 M49 R111	V32-Q36 WeakPolarHBondContact O-CG 3.32Å; V32-Q36 PolarHBondContact O-N 3.24Å; I33-Q36 WeakPolarHBondContact O-CB 3.21Å; I33-Q36 PolarHBondContact O-N 3.32Å; Q36-M49 HydrophobicContact CB-CE 4.19Å; Q36-M49 HydrophobicContact CB-CG 4.27Å; Q36-M49 HydrophobicContact CB-SD 3.62Å; Q36-M49 HydrophobicContact CG-SD 3.63Å; Q36-R111 VanDerWaalsContact O-CZ 3.23Å; Q36-R111 PolarHBondContact O-NE 2.79Å; Q36-R111 PolarHBondContact O-NH2 2.85Å
37	R	89.8	Confident	90.2	Very high	177 Å²	177	58.6 Å²	58.6	67%	0.668	29%	0.294	S	S	*	.			trans	-92.3	145.8	173.4	-64.8	-172.8	-179.1	-167.2	-3	111.2	S35 D194	S35-R37 PolarHBondContact O-N 3.28Å; R37-D194 VanDerWaalsContact CA-OD1 3.25Å; R37-D194 WeakPolarHBondContact CA-OD1 3.34Å
38	V	93.1	Very high	90.3	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.024	30%	0.298	C	S	.	.			trans	-129.9	163.5	178	-65.6	0	0	0	0	111.3	D45 I46 M49 L115 M118 D194 D195	V38-D45 WeakPolarHBondContact CA-OD2 2.96Å; V38-I46 HydrophobicContact CB-CG1 4.31Å; V38-I46 HydrophobicContact CG2-CG1 3.97Å; V38-M49 HydrophobicContact CG1-CB 3.28Å; V38-M49 HydrophobicContact CG1-CE 3.95Å; V38-M49 HydrophobicContact CG1-CG 3.58Å; V38-L115 HydrophobicContact CG1-CD2 4.16Å; V38-L115 HydrophobicContact CG2-CD2 3.86Å; V38-M118 HydrophobicContact CG2-CE 3.8Å; V38-M118 HydrophobicContact CG2-SD 3.39Å; V38-M118 WeakPolarHBondContact CG2-SD 3.42Å; V38-D194 HydrophobicContact CG2-CB 4.47Å; V38-D194 PolarHBondContact N-OD1 3.38Å; V38-D194 WeakPolarHBondContact O-CB 3.3Å; V38-D195 PolarHBondContact O-N 2.99Å
39	M	91.9	Very high	90.5	Very high	64 Å²	64	56.7 Å²	56.7	32%	0.315	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-82.5	113.4	169.6	-170.4	175.3	-65.1	0	0	110.6	D42 D45 D195 K198	M39-D42 HydrophobicContact CB-CB 4.04Å; M39-D42 HydrophobicContact CG-CB 4.29Å; M39-D42 WeakPolarHBondContact O-CB 3.16Å; M39-D42 PolarHBondContact O-N 3.08Å; M39-D42 VanDerWaalsContact O-N 3.08Å; M39-D45 PolarHBondContact N-OD2 3.37Å; M39-D195 CarbonylContact C-O 3.58Å; M39-D195 WeakPolarHBondContact CA-O 3.44Å; M39-K198 HydrophobicContact CG-CB 4.12Å; M39-K198 HydrophobicContact CG-CD 4.39Å; M39-K198 HydrophobicContact SD-CB 3.84Å; M39-K198 HydrophobicContact SD-CD 3.83Å; M39-K198 HydrophobicContact SD-CG 4.38Å
40	V	93.4	Very high	90.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	135.5	177.5	-172.1	0	0	0	0	109.3	D42 M118 L187 Y191 D194 D195 T196 V199	V40-D42 VanDerWaalsContact C-N 3.3Å; V40-M118 HydrophobicContact CB-SD 4.49Å; V40-M118 HydrophobicContact CG1-CG 4.24Å; V40-M118 HydrophobicContact CG2-CE 4.42Å; V40-M118 HydrophobicContact CG2-SD 3.95Å; V40-L187 HydrophobicContact CG1-CB 3.99Å; V40-L187 HydrophobicContact CG1-CD1 4.39Å; V40-L187 HydrophobicContact CG1-CD2 3.9Å; V40-L187 HydrophobicContact CG1-CG 4.33Å; V40-Y191 HydrophobicContact CG1-CD2 4.18Å; V40-D194 HydrophobicContact CG2-CB 3.61Å; V40-D195 PolarHBondContact N-O 3.31Å; V40-T196 HydrophobicContact CB-CG2 4.15Å; V40-T196 HydrophobicContact CG2-CG2 3.79Å; V40-V199 HydrophobicContact CB-CG2 4.49Å; V40-V199 HydrophobicContact CG1-CG2 4.25Å; V40-V199 WeakPolarHBondContact O-CG2 3.35Å
41	G	88.1	Confident	90.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	5.5	-172.3	0	0	0	0	0	114.4	S122 K198	G41-S122 PolarHBondContact N-OG 2.96Å; G41-S122 VanDerWaalsContact N-OG 3.15Å; G41-K198 PolarHBondContact O-NZ 2.86Å
42	D	92.9	Very high	90.9	Very high	42 Å²	42	59.3 Å²	59.3	23%	0.225	29%	0.289	C	S	.	.			trans	-108.4	98.2	169.4	-155.8	-50.9	0	0	0	111.1	M39 V40 E44 D45 I46 K198	M39-D42 HydrophobicContact CB-CB 4.04Å; M39-D42 HydrophobicContact CG-CB 4.29Å; M39-D42 WeakPolarHBondContact O-CB 3.16Å; M39-D42 PolarHBondContact O-N 3.08Å; M39-D42 VanDerWaalsContact O-N 3.08Å; V40-D42 VanDerWaalsContact C-N 3.3Å; D42-E44 PolarHBondContact O-N 3.49Å; D42-E44 PolarHBondContact OD1-N 3.4Å; D42-D45 HydrophobicContact CB-CB 4Å; D42-D45 PolarHBondContact O-N 3.44Å; D42-D45 PolarHBondContact OD1-N 3.5Å; D42-I46 WeakPolarHBondContact O-CB 3.5Å; D42-I46 WeakPolarHBondContact O-CD1 3.42Å; D42-I46 WeakPolarHBondContact O-CG1 3.34Å; D42-I46 PolarHBondContact O-N 2.93Å; D42-K198 HydrophobicContact CB-CD 4.42Å; D42-K198 IonicContact OD2-NZ 3.53Å; D42-K198 PolarHBondContact OD2-NZ 3.03Å
43	L	92.3	Very high	91	Very high	52 Å²	52	56.6 Å²	56.6	27%	0.272	27%	0.273	S	S	.	.	H	α-helix	trans	-63.2	-29.5	-176	-56.4	-177.2	0	0	0	112.3	N47 L119 T123 L126	L43-N47 VanDerWaalsContact O-CB 3.24Å; L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 VanDerWaalsContact O-CG 3.31Å; L43-N47 PolarHBondContact O-N 3.37Å; L43-N47 VanDerWaalsContact O-N 3.08Å; L43-N47 PolarHBondContact O-ND2 3.34Å; L43-L119 HydrophobicContact CB-CD1 4.2Å; L43-L119 HydrophobicContact CD2-CD1 3.79Å; L43-T123 WeakPolarHBondContact CD2-OG1 3.41Å; L43-L126 HydrophobicContact CD1-CD1 3.71Å; L43-L126 HydrophobicContact CD2-CD1 4.04Å; L43-L126 HydrophobicContact CG-CD1 3.61Å
44	E	92.3	Very high	91.1	Very high	144 Å²	144	61.4 Å²	61.4	67%	0.673	29%	0.293	S	S	*	.	H	α-helix	trans	-72.9	-49.7	-179.3	-167.5	165.9	-164	0	0	110	D42 I46 N47 E48	D42-E44 PolarHBondContact O-N 3.49Å; D42-E44 PolarHBondContact OD1-N 3.4Å; E44-I46 PolarHBondContact O-N 3.23Å; E44-N47 PolarHBondContact O-N 3.31Å; E44-E48 WeakPolarHBondContact O-CG 3.47Å; E44-E48 PolarHBondContact O-N 2.8Å
45	D	93.3	Very high	91.3	Very high	53 Å²	53	57 Å²	57	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-42.8	177.8	-168.6	27.4	0	0	0	112.2	V38 M39 D42 E48 M49	V38-D45 WeakPolarHBondContact CA-OD2 2.96Å; M39-D45 PolarHBondContact N-OD2 3.37Å; D42-D45 HydrophobicContact CB-CB 4Å; D42-D45 PolarHBondContact O-N 3.44Å; D42-D45 PolarHBondContact OD1-N 3.5Å; D45-E48 PolarHBondContact O-N 2.87Å; D45-M49 PolarHBondContact O-N 2.84Å
46	I	92.3	Very high	91.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-45.4	176.1	-62.7	163.8	0	0	0	110.9	V38 D42 E44 M49 I50 L115 M118 L119 S122	V38-I46 HydrophobicContact CB-CG1 4.31Å; V38-I46 HydrophobicContact CG2-CG1 3.97Å; D42-I46 WeakPolarHBondContact O-CB 3.5Å; D42-I46 WeakPolarHBondContact O-CD1 3.42Å; D42-I46 WeakPolarHBondContact O-CG1 3.34Å; D42-I46 PolarHBondContact O-N 2.93Å; E44-I46 PolarHBondContact O-N 3.23Å; I46-M49 PolarHBondContact O-N 3.3Å; I46-I50 HydrophobicContact CG2-CD1 4.04Å; I46-I50 WeakPolarHBondContact O-CG1 3.45Å; I46-I50 PolarHBondContact O-N 2.98Å; I46-L115 HydrophobicContact CG2-CD2 4.5Å; I46-L115 WeakPolarHBondContact CG2-O 3.49Å; I46-M118 HydrophobicContact CD1-CG 3.88Å; I46-M118 HydrophobicContact CD1-SD 3.8Å; I46-M118 HydrophobicContact CG1-CG 4.48Å; I46-M118 HydrophobicContact CG1-SD 3.83Å; I46-L119 HydrophobicContact CB-CD1 4.2Å; I46-L119 HydrophobicContact CG2-CB 3.79Å; I46-L119 HydrophobicContact CG2-CD1 4.01Å; I46-L119 HydrophobicContact CG2-CG 4.48Å; I46-S122 WeakPolarHBondContact CD1-OG 3.38Å
47	N	92.9	Very high	91.3	Very high	69 Å²	69	55.4 Å²	55.4	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-65.2	-42.9	179.1	-85.6	-53.7	0	0	0	112.3	L43 E44 M49 I50 I51 L119	L43-N47 VanDerWaalsContact O-CB 3.24Å; L43-N47 WeakPolarHBondContact O-CB 3.36Å; L43-N47 VanDerWaalsContact O-CG 3.31Å; L43-N47 PolarHBondContact O-N 3.37Å; L43-N47 VanDerWaalsContact O-N 3.08Å; L43-N47 PolarHBondContact O-ND2 3.34Å; E44-N47 PolarHBondContact O-N 3.31Å; N47-M49 VanDerWaalsContact C-N 3.27Å; N47-M49 PolarHBondContact O-N 3.5Å; N47-I50 PolarHBondContact O-N 3.27Å; N47-I51 WeakPolarHBondContact O-CG1 3.41Å; N47-I51 PolarHBondContact O-N 3.28Å; N47-L119 WeakPolarHBondContact ND2-CD1 3.14Å; N47-L119 VanDerWaalsContact OD1-CD2 3.26Å; N47-L119 WeakPolarHBondContact OD1-CD2 3.4Å
48	E	92.1	Very high	91.3	Very high	93 Å²	93	53 Å²	53	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-58.2	-42	174.6	-77.8	-164.1	-179.8	0	0	111.5	E44 D45 I51 K52	E44-E48 WeakPolarHBondContact O-CG 3.47Å; E44-E48 PolarHBondContact O-N 2.8Å; D45-E48 PolarHBondContact O-N 2.87Å; E48-I51 PolarHBondContact O-N 3.11Å; E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 3.02Å; E48-K52 IonicContact OE2-NZ 2.87Å
49	M	93.2	Very high	91.2	Very high	20 Å²	20	56.6 Å²	56.6	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-67.6	-38.4	176.8	-169.4	60.3	71.4	0	0	112.5	Q36 V38 D45 I46 N47 I51 K52 Q53 L115	Q36-M49 HydrophobicContact CB-CE 4.19Å; Q36-M49 HydrophobicContact CB-CG 4.27Å; Q36-M49 HydrophobicContact CB-SD 3.62Å; Q36-M49 HydrophobicContact CG-SD 3.63Å; V38-M49 HydrophobicContact CG1-CB 3.28Å; V38-M49 HydrophobicContact CG1-CE 3.95Å; V38-M49 HydrophobicContact CG1-CG 3.58Å; D45-M49 PolarHBondContact O-N 2.84Å; I46-M49 PolarHBondContact O-N 3.3Å; N47-M49 VanDerWaalsContact C-N 3.27Å; N47-M49 PolarHBondContact O-N 3.5Å; M49-I51 VanDerWaalsContact C-N 3.26Å; M49-I51 PolarHBondContact O-N 3.01Å; M49-K52 PolarHBondContact O-N 3.3Å; M49-K52 HydrophobicContact SD-CB 4.41Å; M49-K52 HydrophobicContact SD-CD 4.46Å; M49-Q53 WeakPolarHBondContact O-CB 3.22Å; M49-Q53 PolarHBondContact O-N 3.36Å; M49-L115 HydrophobicContact CB-CD1 4.33Å; M49-L115 HydrophobicContact CB-CD2 4.34Å; M49-L115 HydrophobicContact CG-CD1 3.71Å; M49-L115 HydrophobicContact CG-CD2 4.09Å
50	I	91.6	Very high	91.1	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-40.6	172.7	-70	167.1	0	0	0	110.7	I46 N47 K54 L115 L119	I46-I50 HydrophobicContact CG2-CD1 4.04Å; I46-I50 WeakPolarHBondContact O-CG1 3.45Å; I46-I50 PolarHBondContact O-N 2.98Å; N47-I50 PolarHBondContact O-N 3.27Å; I50-K54 HydrophobicContact CG2-CD 4.37Å; I50-K54 WeakPolarHBondContact O-CB 3.18Å; I50-K54 WeakPolarHBondContact O-CG 3.47Å; I50-K54 PolarHBondContact O-N 3.17Å; I50-L115 HydrophobicContact CD1-CB 4.23Å; I50-L115 HydrophobicContact CG1-CB 3.61Å; I50-L115 HydrophobicContact CG1-CD1 4.35Å; I50-L119 HydrophobicContact CD1-CB 4.27Å; I50-L119 HydrophobicContact CD1-CD2 4.04Å
51	I	91.9	Very high	90.9	Very high	118 Å²	118	58.3 Å²	58.3	61%	0.605	29%	0.291	S	S	*	.	H	α-helix	trans	-64.5	-48.8	176.9	-66.2	165.5	0	0	0	110.5	N47 E48 M49 Q53 K54 A55	N47-I51 WeakPolarHBondContact O-CG1 3.41Å; N47-I51 PolarHBondContact O-N 3.28Å; E48-I51 PolarHBondContact O-N 3.11Å; M49-I51 VanDerWaalsContact C-N 3.26Å; M49-I51 PolarHBondContact O-N 3.01Å; I51-Q53 VanDerWaalsContact C-N 3.33Å; I51-Q53 PolarHBondContact O-N 2.84Å; I51-K54 PolarHBondContact O-N 2.97Å; I51-A55 PolarHBondContact O-N 3.1Å; I51-A55 VanDerWaalsContact O-N 3.1Å
52	K	90.3	Very high	91	Very high	109 Å²	109	65 Å²	65	47%	0.474	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-45	176.9	-72.2	170.5	-174.8	157.9	0	111.3	E48 M49 K54 A55 T56	E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 3.02Å; E48-K52 IonicContact OE2-NZ 2.87Å; M49-K52 PolarHBondContact O-N 3.3Å; M49-K52 HydrophobicContact SD-CB 4.41Å; M49-K52 HydrophobicContact SD-CD 4.46Å; K52-K54 PolarHBondContact O-N 2.78Å; K52-A55 WeakPolarHBondContact O-CB 3.17Å; K52-A55 PolarHBondContact O-N 3.29Å; K52-A55 VanDerWaalsContact O-N 3.16Å; K52-T56 PolarHBondContact O-N 3.02Å; K52-T56 PolarHBondContact O-OG1 3.36Å
53	Q	90.4	Very high	90.8	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-40.3	179	-171	-74.7	-25	0	0	112	M49 I51 A55 T56 M57 L108 R112 L115	M49-Q53 WeakPolarHBondContact O-CB 3.22Å; M49-Q53 PolarHBondContact O-N 3.36Å; I51-Q53 VanDerWaalsContact C-N 3.33Å; I51-Q53 PolarHBondContact O-N 2.84Å; Q53-A55 VanDerWaalsContact C-N 3.34Å; Q53-A55 PolarHBondContact O-N 3.49Å; Q53-T56 WeakPolarHBondContact O-CB 3.48Å; Q53-T56 PolarHBondContact O-N 3.37Å; Q53-M57 PolarHBondContact O-N 2.93Å; Q53-L108 HydrophobicContact CG-CD1 4.01Å; Q53-L108 VanDerWaalsContact NE2-CD1 3.3Å; Q53-L108 PolarHBondContact NE2-O 3.43Å; Q53-R112 VanDerWaalsContact OE1-CG 3.26Å; Q53-L115 HydrophobicContact CB-CD1 4.24Å; Q53-L115 HydrophobicContact CG-CD1 4.3Å
54	K	89	Confident	90.7	Very high	112 Å²	112	68.4 Å²	68.4	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-40.5	173.2	-79.3	176	-178.3	174.2	0	112	I50 I51 K52 M57 Q58	I50-K54 HydrophobicContact CG2-CD 4.37Å; I50-K54 WeakPolarHBondContact O-CB 3.18Å; I50-K54 WeakPolarHBondContact O-CG 3.47Å; I50-K54 PolarHBondContact O-N 3.17Å; I51-K54 PolarHBondContact O-N 2.97Å; K52-K54 PolarHBondContact O-N 2.78Å; K54-M57 PolarHBondContact O-N 2.93Å; K54-Q58 PolarHBondContact O-N 3.34Å
55	A	89.5	Confident	90.6	Very high	45 Å²	45	64.8 Å²	64.8	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-45.9	175.3	0	0	0	0	0	111.1	I51 K52 Q53 M57 Q58 D59	I51-A55 PolarHBondContact O-N 3.1Å; I51-A55 VanDerWaalsContact O-N 3.1Å; K52-A55 WeakPolarHBondContact O-CB 3.17Å; K52-A55 PolarHBondContact O-N 3.29Å; K52-A55 VanDerWaalsContact O-N 3.16Å; Q53-A55 VanDerWaalsContact C-N 3.34Å; Q53-A55 PolarHBondContact O-N 3.49Å; A55-M57 PolarHBondContact O-N 3.3Å; A55-Q58 WeakPolarHBondContact O-CB 3.34Å; A55-Q58 PolarHBondContact O-N 3.46Å; A55-D59 PolarHBondContact O-N 3.36Å
56	T	89.4	Confident	90.3	Very high	17 Å²	17	66.2 Å²	66.2	10%	0.104	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-36.4	174.7	-49.6	0	0	0	0	112.5	L29 K52 Q53 D59 L60 L108	L29-T56 HydrophobicContact CD1-CG2 3.35Å; L29-T56 HydrophobicContact CD2-CG2 4.4Å; L29-T56 HydrophobicContact CG-CG2 4.02Å; K52-T56 PolarHBondContact O-N 3.02Å; K52-T56 PolarHBondContact O-OG1 3.36Å; Q53-T56 WeakPolarHBondContact O-CB 3.48Å; Q53-T56 PolarHBondContact O-N 3.37Å; T56-D59 PolarHBondContact O-N 3.37Å; T56-L60 PolarHBondContact O-N 3.46Å; T56-L60 VanDerWaalsContact O-N 3.08Å; T56-L108 HydrophobicContact CG2-CD1 4.03Å; T56-L108 HydrophobicContact CG2-CD2 4.39Å
57	M	88.6	Confident	90.1	Very high	39 Å²	39	66.8 Å²	66.8	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-37.9	175.9	-172.5	177.3	-70	0	0	112.6	Q53 K54 A55 D59 L60 E61 L108 Q109 R112	Q53-M57 PolarHBondContact O-N 2.93Å; K54-M57 PolarHBondContact O-N 2.93Å; A55-M57 PolarHBondContact O-N 3.3Å; M57-D59 VanDerWaalsContact C-N 3.34Å; M57-L60 PolarHBondContact O-N 3.15Å; M57-E61 PolarHBondContact O-N 3.42Å; M57-L108 VanDerWaalsContact CA-CD2 3.44Å; M57-L108 HydrophobicContact CB-CD2 3.74Å; M57-L108 HydrophobicContact CB-CG 4.33Å; M57-L108 HydrophobicContact CE-CD2 4.48Å; M57-L108 HydrophobicContact CE-CG 4.1Å; M57-L108 HydrophobicContact CG-CD2 4.16Å; M57-Q109 HydrophobicContact CE-CG 4.08Å; M57-R112 HydrophobicContact CE-CB 4.39Å
58	Q	89.4	Confident	89.9	Confident	126 Å²	126	68.7 Å²	68.7	59%	0.589	33%	0.332	S	S	*	.	H	α-helix	trans	-65.3	-39.3	172.5	-72.8	179.9	-9.7	0	0	111.5	K54 A55 L60 E61 Q62	K54-Q58 PolarHBondContact O-N 3.34Å; A55-Q58 WeakPolarHBondContact O-CB 3.34Å; A55-Q58 PolarHBondContact O-N 3.46Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 3.24Å; Q58-E61 PolarHBondContact O-N 3.27Å; Q58-Q62 WeakPolarHBondContact O-CB 3.35Å; Q58-Q62 WeakPolarHBondContact O-CG 3.22Å; Q58-Q62 PolarHBondContact O-N 2.8Å
59	D	89.8	Confident	89.7	Confident	80 Å²	80	70.9 Å²	70.9	43%	0.428	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-41.6	176.9	-67.7	-20.2	0	0	0	111.7	A55 T56 M57 Q62 R63	A55-D59 PolarHBondContact O-N 3.36Å; T56-D59 PolarHBondContact O-N 3.37Å; M57-D59 VanDerWaalsContact C-N 3.34Å; D59-Q62 PolarHBondContact O-N 2.85Å; D59-R63 WeakPolarHBondContact O-CG 3.33Å; D59-R63 PolarHBondContact O-N 3.39Å
60	L	90.5	Very high	89.4	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-48.5	171.8	-173.4	66.4	0	0	0	111.4	W25 L26 L29 T56 M57 Q58 Q62 R63 R64 W101 V104 Q105 L108	W25-L60 HydrophobicContact CH2-CB 4.28Å; W25-L60 HydrophobicContact CH2-CD1 3.62Å; W25-L60 HydrophobicContact CZ3-CD1 3.67Å; L26-L60 HydrophobicContact CD2-CD1 3.81Å; L29-L60 HydrophobicContact CD2-CB 4.13Å; L29-L60 HydrophobicContact CD2-CD1 3.91Å; L29-L60 HydrophobicContact CD2-CG 4.42Å; T56-L60 PolarHBondContact O-N 3.46Å; T56-L60 VanDerWaalsContact O-N 3.08Å; M57-L60 PolarHBondContact O-N 3.15Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 3.24Å; L60-Q62 VanDerWaalsContact C-N 3.33Å; L60-Q62 PolarHBondContact O-N 3.04Å; L60-R63 PolarHBondContact O-N 3.3Å; L60-R63 VanDerWaalsContact O-N 3.14Å; L60-R64 PolarHBondContact O-N 3.23Å; L60-W101 HydrophobicContact CD1-CD2 3.96Å; L60-W101 HydrophobicContact CD1-CE3 3.97Å; L60-W101 HydrophobicContact CD1-CH2 3.54Å; L60-W101 HydrophobicContact CD1-CZ2 3.54Å; L60-W101 HydrophobicContact CD1-CZ3 3.75Å; L60-W101 HydrophobicContact CG-CH2 4.1Å; L60-W101 HydrophobicContact CG-CZ2 3.7Å; L60-W101 WeakPolarHBondContact O-CH2 3.38Å; L60-W101 WeakPolarHBondContact O-CZ2 3.5Å; L60-V104 HydrophobicContact CD2-CG1 4.4Å; L60-Q105 HydrophobicContact CD2-CB 3.87Å; L60-Q105 HydrophobicContact CD2-CG 4.18Å; L60-L108 HydrophobicContact CD2-CD2 4.12Å
61	E	88.9	Confident	89.2	Confident	98 Å²	98	71.4 Å²	71.4	46%	0.458	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-38	179.7	-162.6	59.8	-153.8	0	0	112.9	M57 Q58 R63 R64	M57-E61 PolarHBondContact O-N 3.42Å; Q58-E61 PolarHBondContact O-N 3.27Å; E61-R63 PolarHBondContact O-N 3.26Å; E61-R64 VanDerWaalsContact CD-NE 3.32Å; E61-R64 WeakPolarHBondContact O-CB 3.47Å; E61-R64 PolarHBondContact O-N 3.06Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E61-R64 IonicContact OE1-CZ 3.73Å; E61-R64 IonicContact OE1-NE 3.13Å; E61-R64 PolarHBondContact OE1-NE 3.45Å; E61-R64 IonicContact OE1-NH2 2.65Å; E61-R64 IonicContact OE2-CZ 3.13Å; E61-R64 IonicContact OE2-NE 3.42Å; E61-R64 PolarHBondContact OE2-NE 3.28Å; E61-R64 IonicContact OE2-NH2 2.77Å; E61-R64 PolarHBondContact OE2-NH2 3.34Å
62	Q	90.3	Very high	88.9	Confident	140 Å²	140	69.1 Å²	69.1	65%	0.654	34%	0.336	S	S	*	.	H	α-helix	trans	-64.9	-26.9	177	-76.3	-179.7	20	0	0	113.4	Q58 D59 L60 P65	Q58-Q62 WeakPolarHBondContact O-CB 3.35Å; Q58-Q62 WeakPolarHBondContact O-CG 3.22Å; Q58-Q62 PolarHBondContact O-N 2.8Å; D59-Q62 PolarHBondContact O-N 2.85Å; L60-Q62 VanDerWaalsContact C-N 3.33Å; L60-Q62 PolarHBondContact O-N 3.04Å; Q62-P65 VanDerWaalsContact O-CD 3.31Å; Q62-P65 WeakPolarHBondContact O-CD 3.5Å
63	R	89.6	Confident	88.6	Confident	105 Å²	105	65.9 Å²	65.9	40%	0.396	33%	0.33	S	S	.	.	H	α-helix	trans	-85.4	-9.8	177.4	-68.2	-80.1	-178.5	176.9	-0.5	112.6	W25 D59 L60 E61 P65 Q66 L67 W101	W25-R63 HydrophobicContact CH2-CB 4.15Å; W25-R63 HydrophobicContact CH2-CG 3.99Å; W25-R63 HydrophobicContact CZ2-CG 4.08Å; W25-R63 HydrophobicContact CZ3-CB 4.18Å; W25-R63 HydrophobicContact CZ3-CG 4.3Å; D59-R63 WeakPolarHBondContact O-CG 3.33Å; D59-R63 PolarHBondContact O-N 3.39Å; L60-R63 PolarHBondContact O-N 3.3Å; L60-R63 VanDerWaalsContact O-N 3.14Å; E61-R63 PolarHBondContact O-N 3.26Å; R63-P65 VanDerWaalsContact C-CD 3.44Å; R63-Q66 VanDerWaalsContact O-CB 3.3Å; R63-Q66 WeakPolarHBondContact O-CB 3.08Å; R63-Q66 PolarHBondContact O-N 2.96Å; R63-L67 PolarHBondContact O-N 2.92Å; R63-W101 HydrophobicContact CB-CH2 3.76Å; R63-W101 HydrophobicContact CB-CZ3 4.13Å
64	R	89.5	Confident	88.3	Confident	61 Å²	61	65.9 Å²	65.9	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-53	-42.6	179	-174.1	-176.5	-63.1	-76.8	-5.3	113.5	L60 E61 Q66 L67 E68 W101	L60-R64 PolarHBondContact O-N 3.23Å; E61-R64 VanDerWaalsContact CD-NE 3.32Å; E61-R64 WeakPolarHBondContact O-CB 3.47Å; E61-R64 PolarHBondContact O-N 3.06Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E61-R64 IonicContact OE1-CZ 3.73Å; E61-R64 IonicContact OE1-NE 3.13Å; E61-R64 PolarHBondContact OE1-NE 3.45Å; E61-R64 IonicContact OE1-NH2 2.65Å; E61-R64 IonicContact OE2-CZ 3.13Å; E61-R64 IonicContact OE2-NE 3.42Å; E61-R64 PolarHBondContact OE2-NE 3.28Å; E61-R64 IonicContact OE2-NH2 2.77Å; E61-R64 PolarHBondContact OE2-NH2 3.34Å; R64-Q66 PolarHBondContact O-N 3.06Å; R64-L67 WeakPolarHBondContact O-CB 3.26Å; R64-L67 PolarHBondContact O-N 3.36Å; R64-E68 PolarHBondContact O-N 3.21Å; R64-W101 HydrophobicContact CB-CH2 4.36Å; R64-W101 HydrophobicContact CB-CZ2 3.94Å
65	P	90	Very high	88	Confident	67 Å²	67	65.2 Å²	65.2	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-32.9	176.1	-23.8	35.1	0	0	0	112.9	Q62 R63 E68 E69	Q62-P65 VanDerWaalsContact O-CD 3.31Å; Q62-P65 WeakPolarHBondContact O-CD 3.5Å; R63-P65 VanDerWaalsContact C-CD 3.44Å; P65-E68 PolarHBondContact O-N 2.9Å; P65-E69 WeakPolarHBondContact O-CB 3.44Å; P65-E69 WeakPolarHBondContact O-CG 3.46Å; P65-E69 PolarHBondContact O-N 3.29Å
66	Q	86.9	Confident	87.7	Confident	84 Å²	84	67 Å²	67	39%	0.393	33%	0.331	S	S	.	.	H	α-helix	trans	-67.7	-36.9	177.1	-60	177.5	3.4	0	0	111.3	R63 R64 L70	R63-Q66 VanDerWaalsContact O-CB 3.3Å; R63-Q66 WeakPolarHBondContact O-CB 3.08Å; R63-Q66 PolarHBondContact O-N 2.96Å; R64-Q66 PolarHBondContact O-N 3.06Å; Q66-L70 VanDerWaalsContact O-CB 3.23Å; Q66-L70 WeakPolarHBondContact O-CB 3.4Å; Q66-L70 PolarHBondContact O-N 2.78Å
67	L	89.3	Confident	87.3	Confident	11 Å²	11	66.8 Å²	66.8	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-44.9	171.9	178.9	64.7	0	0	0	111.1	L22 R63 R64 L70 I71 I97 W101	L22-L67 HydrophobicContact CD2-CB 4Å; L22-L67 HydrophobicContact CD2-CD1 4Å; R63-L67 PolarHBondContact O-N 2.92Å; R64-L67 WeakPolarHBondContact O-CB 3.26Å; R64-L67 PolarHBondContact O-N 3.36Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 3.37Å; L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CD1-CG1 4.45Å; L67-I71 HydrophobicContact CG-CD1 3.85Å; L67-I71 WeakPolarHBondContact O-CD1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.19Å; L67-I97 HydrophobicContact CD1-CG1 4.31Å; L67-I97 HydrophobicContact CD1-CG2 3.92Å; L67-W101 HydrophobicContact CB-CE3 4.32Å; L67-W101 HydrophobicContact CB-CZ3 4.4Å; L67-W101 HydrophobicContact CD2-CB 3.91Å; L67-W101 HydrophobicContact CD2-CD2 3.6Å; L67-W101 HydrophobicContact CD2-CE3 3.88Å; L67-W101 HydrophobicContact CD2-CG 3.59Å
68	E	88.5	Confident	86.9	Confident	110 Å²	110	67.9 Å²	67.9	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-41.9	178.6	-69.1	178.9	-179.4	0	0	112.6	R64 P65 L70 I71 T72	R64-E68 PolarHBondContact O-N 3.21Å; P65-E68 PolarHBondContact O-N 2.9Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-I71 PolarHBondContact O-N 3.46Å; E68-T72 WeakPolarHBondContact O-CB 3.37Å; E68-T72 PolarHBondContact O-N 3.1Å; E68-T72 PolarHBondContact O-OG1 2.97Å
69	E	87.3	Confident	86.4	Confident	139 Å²	139	67.2 Å²	67.2	65%	0.65	33%	0.334	S	S	*	.	H	α-helix	trans	-61.1	-44	172.2	-78.2	-179.8	-175.4	0	0	110.9	P65 T72 A73	P65-E69 WeakPolarHBondContact O-CB 3.44Å; P65-E69 WeakPolarHBondContact O-CG 3.46Å; P65-E69 PolarHBondContact O-N 3.29Å; E69-T72 PolarHBondContact O-N 2.8Å; E69-A73 VanDerWaalsContact O-CB 3.24Å; E69-A73 WeakPolarHBondContact O-CB 3.38Å; E69-A73 PolarHBondContact O-N 2.86Å
70	L	87.4	Confident	85.7	Confident	13 Å²	13	71.9 Å²	71.9	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-43.9	177.2	-166.6	80.6	0	0	0	111.3	F15 A18 W19 L22 Q66 L67 E68 A73 A74 I97	F15-L70 HydrophobicContact CD2-CD1 3.82Å; F15-L70 HydrophobicContact CD2-CG 4.13Å; F15-L70 HydrophobicContact CE2-CD1 4.01Å; F15-L70 HydrophobicContact CE2-CD2 4.49Å; F15-L70 HydrophobicContact CE2-CG 3.85Å; A18-L70 HydrophobicContact CB-CD1 3.49Å; A18-L70 VanDerWaalsContact CB-CD1 3.49Å; W19-L70 HydrophobicContact CB-CD1 4.35Å; W19-L70 HydrophobicContact CB-CD2 4.05Å; W19-L70 HydrophobicContact CG-CD2 4.41Å; L22-L70 HydrophobicContact CD2-CD2 4.35Å; Q66-L70 VanDerWaalsContact O-CB 3.23Å; Q66-L70 WeakPolarHBondContact O-CB 3.4Å; Q66-L70 PolarHBondContact O-N 2.78Å; L67-L70 WeakPolarHBondContact O-CB 3.46Å; L67-L70 PolarHBondContact O-N 3.37Å; E68-L70 VanDerWaalsContact C-N 3.34Å; L70-A73 PolarHBondContact O-N 2.86Å; L70-A74 WeakPolarHBondContact O-CB 3.4Å; L70-A74 PolarHBondContact O-N 2.96Å; L70-I97 HydrophobicContact CD2-CD1 3.79Å; L70-I97 HydrophobicContact CD2-CG2 4.27Å
71	I	87.1	Confident	84.8	Confident	24 Å²	24	73.4 Å²	73.4	12%	0.123	36%	0.36	C	S	.	.	H	α-helix	trans	-60.9	-46.1	174.6	-68.1	157.7	0	0	0	110.4	L67 E68 A74 Q75 I94 Q98	L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CD1-CG1 4.45Å; L67-I71 HydrophobicContact CG-CD1 3.85Å; L67-I71 WeakPolarHBondContact O-CD1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.19Å; E68-I71 PolarHBondContact O-N 3.46Å; I71-A74 WeakPolarHBondContact O-CB 3.22Å; I71-A74 PolarHBondContact O-N 2.78Å; I71-Q75 HydrophobicContact CG2-CG 4.43Å; I71-Q75 WeakPolarHBondContact O-CG 3.12Å; I71-Q75 PolarHBondContact O-N 3.31Å; I71-I94 HydrophobicContact CG1-CG2 4.02Å; I71-Q98 HydrophobicContact CD1-CG 4.01Å; I71-Q98 HydrophobicContact CG1-CG 4.36Å
72	T	86.1	Confident	84	Confident	70 Å²	70	75 Å²	75	43%	0.429	38%	0.382	S	S	.	.	H	α-helix	trans	-65.5	-44.2	-179.5	-57.5	0	0	0	0	111.1	E68 E69 A74 Q75 N76	E68-T72 WeakPolarHBondContact O-CB 3.37Å; E68-T72 PolarHBondContact O-N 3.1Å; E68-T72 PolarHBondContact O-OG1 2.97Å; E69-T72 PolarHBondContact O-N 2.8Å; T72-A74 VanDerWaalsContact C-N 3.29Å; T72-A74 PolarHBondContact O-N 2.75Å; T72-Q75 PolarHBondContact O-N 2.82Å; T72-N76 WeakPolarHBondContact O-CB 3.27Å; T72-N76 VanDerWaalsContact O-CG 3.31Å; T72-N76 PolarHBondContact O-N 2.95Å; T72-N76 PolarHBondContact O-ND2 2.76Å
73	A	83.4	Confident	83.4	Confident	40 Å²	40	71.1 Å²	71.1	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-59	-42.9	174.2	0	0	0	0	0	110.8	E69 L70 N76 L77	E69-A73 VanDerWaalsContact O-CB 3.24Å; E69-A73 WeakPolarHBondContact O-CB 3.38Å; E69-A73 PolarHBondContact O-N 2.86Å; L70-A73 PolarHBondContact O-N 2.86Å; A73-N76 PolarHBondContact O-N 3.36Å; A73-L77 WeakPolarHBondContact O-CB 3.08Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.35Å
74	A	83.6	Confident	82.8	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.3	-41.4	177.1	0	0	0	0	0	113	F15 L70 I71 T72 L77 K78 I90 I94	F15-A74 HydrophobicContact CD2-CB 3.98Å; F15-A74 HydrophobicContact CE2-CB 3.33Å; F15-A74 HydrophobicContact CZ-CB 3.71Å; L70-A74 WeakPolarHBondContact O-CB 3.4Å; L70-A74 PolarHBondContact O-N 2.96Å; I71-A74 WeakPolarHBondContact O-CB 3.22Å; I71-A74 PolarHBondContact O-N 2.78Å; T72-A74 VanDerWaalsContact C-N 3.29Å; T72-A74 PolarHBondContact O-N 2.75Å; A74-L77 PolarHBondContact O-N 3.14Å; A74-K78 WeakPolarHBondContact O-CB 3.49Å; A74-K78 PolarHBondContact O-N 3.4Å; A74-I90 HydrophobicContact CB-CG2 3.78Å; A74-I94 HydrophobicContact CB-CD1 3.2Å; A74-I94 HydrophobicContact CB-CG1 3.41Å; A74-I94 VanDerWaalsContact CB-CG1 3.41Å
75	Q	83.9	Confident	82.3	Confident	99 Å²	99	76 Å²	76	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-63.8	-42.8	174.6	-74.5	176.8	3.3	0	0	111.6	I71 T72 K78 N79	I71-Q75 HydrophobicContact CG2-CG 4.43Å; I71-Q75 WeakPolarHBondContact O-CG 3.12Å; I71-Q75 PolarHBondContact O-N 3.31Å; T72-Q75 PolarHBondContact O-N 2.82Å; Q75-K78 WeakPolarHBondContact O-CB 3.4Å; Q75-K78 PolarHBondContact O-N 2.87Å; Q75-N79 WeakPolarHBondContact O-CB 3.45Å; Q75-N79 VanDerWaalsContact O-CG 3.26Å; Q75-N79 PolarHBondContact O-N 3.44Å; Q75-N79 PolarHBondContact O-ND2 3.34Å
76	N	82.5	Confident	81.7	Confident	81 Å²	81	73.9 Å²	73.9	43%	0.433	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-44	174.9	-76.8	-32.6	0	0	0	111.8	T72 A73 N79 K80	T72-N76 WeakPolarHBondContact O-CB 3.27Å; T72-N76 VanDerWaalsContact O-CG 3.31Å; T72-N76 PolarHBondContact O-N 2.95Å; T72-N76 PolarHBondContact O-ND2 2.76Å; A73-N76 PolarHBondContact O-N 3.36Å; N76-N79 PolarHBondContact O-N 2.99Å; N76-K80 WeakPolarHBondContact O-CG 3.47Å; N76-K80 PolarHBondContact O-N 2.86Å
77	L	79.8	Confident	81.3	Confident	13 Å²	13	73.2 Å²	73.2	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-42.8	173.9	-78.9	168.1	0	0	0	111.5	A11 L12 F15 A73 A74 N79 K80 T81 I90	A11-L77 HydrophobicContact CB-CD2 3.82Å; L12-L77 HydrophobicContact CB-CD2 4.43Å; L12-L77 HydrophobicContact CD1-CD1 4.3Å; F15-L77 HydrophobicContact CB-CD1 3.43Å; F15-L77 VanDerWaalsContact CB-CD1 3.43Å; F15-L77 HydrophobicContact CD1-CD1 4.16Å; F15-L77 HydrophobicContact CD2-CD1 4.38Å; F15-L77 HydrophobicContact CG-CD1 3.73Å; A73-L77 WeakPolarHBondContact O-CB 3.08Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.45Å; A73-L77 PolarHBondContact O-N 3.35Å; A74-L77 PolarHBondContact O-N 3.14Å; L77-N79 PolarHBondContact O-N 3.49Å; L77-K80 PolarHBondContact O-N 3.44Å; L77-T81 VanDerWaalsContact O-CB 3.29Å; L77-T81 WeakPolarHBondContact O-CB 3.39Å; L77-T81 PolarHBondContact O-N 2.71Å; L77-T81 PolarHBondContact O-OG1 2.94Å; L77-I90 HydrophobicContact CB-CD1 4.15Å
78	K	80.1	Confident	81	Confident	62 Å²	62	76.3 Å²	76.3	27%	0.27	40%	0.397	S	S	.	.	H	α-helix	trans	-57	-51.9	175.2	-162.6	172.3	81.7	179.7	0	109.7	A74 Q75 K80 T81 R87 T91	A74-K78 WeakPolarHBondContact O-CB 3.49Å; A74-K78 PolarHBondContact O-N 3.4Å; Q75-K78 WeakPolarHBondContact O-CB 3.4Å; Q75-K78 PolarHBondContact O-N 2.87Å; K78-K80 VanDerWaalsContact C-N 3.34Å; K78-K80 PolarHBondContact O-N 3Å; K78-T81 PolarHBondContact O-N 3.36Å; K78-R87 HydrophobicContact CG-CB 3.97Å; K78-R87 HydrophobicContact CG-CG 3.87Å; K78-R87 PolarHBondContact O-NH1 3.12Å; K78-T91 WeakPolarHBondContact CD-OG1 3.47Å
79	N	80.2	Confident	80.8	Confident	113 Å²	113	74.9 Å²	74.9	60%	0.604	39%	0.392	S	S	*	.	H	α-helix	trans	-62.3	-34.7	-178.2	-70.7	-17.8	0	0	0	114.1	Q75 N76 L77	Q75-N79 WeakPolarHBondContact O-CB 3.45Å; Q75-N79 VanDerWaalsContact O-CG 3.26Å; Q75-N79 PolarHBondContact O-N 3.44Å; Q75-N79 PolarHBondContact O-ND2 3.34Å; N76-N79 PolarHBondContact O-N 2.99Å; L77-N79 PolarHBondContact O-N 3.49Å
80	K	74.2	Confident	80.6	Confident	177 Å²	177	68.4 Å²	68.4	77%	0.77	36%	0.362	S	S	*	.	H	α-helix	trans	-83.9	-16.7	179.8	-70.3	177.6	-179.1	178.6	0	114.1	N76 L77 K78	N76-K80 WeakPolarHBondContact O-CG 3.47Å; N76-K80 PolarHBondContact O-N 2.86Å; L77-K80 PolarHBondContact O-N 3.44Å; K78-K80 VanDerWaalsContact C-N 3.34Å; K78-K80 PolarHBondContact O-N 3Å
81	T	72.9	Confident	80.4	Confident	35 Å²	35	69.6 Å²	69.6	22%	0.215	37%	0.369	C	S	.	.			trans	-92	123.1	-177.3	-57.4	0	0	0	0	110.3	L77 K78 N83 A86 R87	L77-T81 VanDerWaalsContact O-CB 3.29Å; L77-T81 WeakPolarHBondContact O-CB 3.39Å; L77-T81 PolarHBondContact O-N 2.71Å; L77-T81 PolarHBondContact O-OG1 2.94Å; K78-T81 PolarHBondContact O-N 3.36Å; T81-N83 HydrophobicContact CG2-CB 3.87Å; T81-A86 HydrophobicContact CG2-CB 3.87Å; T81-R87 WeakPolarHBondContact O-CD 3.45Å; T81-R87 PolarHBondContact O-NH1 2.96Å
82	S	71	Confident	80.4	Confident	131 Å²	131	71.5 Å²	71.5	92%	0.916	38%	0.38	S	S	*	.			trans	-83.7	-12.6	174	54.6	0	0	0	0	113.3
83	N	78.3	Confident	80.4	Confident	59 Å²	59	71.8 Å²	71.8	32%	0.316	37%	0.373	S	S	.	.			trans	-79.7	116	177	-176.9	-18.5	0	0	0	111.4	T81 E85 A86 R87	T81-N83 HydrophobicContact CG2-CB 3.87Å; N83-E85 PolarHBondContact O-N 3.23Å; N83-E85 WeakPolarHBondContact OD1-CB 3.24Å; N83-E85 PolarHBondContact OD1-N 2.86Å; N83-A86 HydrophobicContact CB-CB 4.15Å; N83-A86 PolarHBondContact O-N 3.23Å; N83-A86 PolarHBondContact OD1-N 3.24Å; N83-R87 WeakPolarHBondContact O-CG 3.36Å; N83-R87 PolarHBondContact O-N 3.49Å
84	Q	77	Confident	80.6	Confident	133 Å²	133	70.7 Å²	70.7	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-63.3	-37.6	-179	-172.3	63.3	12.5	0	0	113.4	R87 T88	Q84-R87 WeakPolarHBondContact O-CB 3.49Å; Q84-R87 PolarHBondContact O-N 3.32Å; Q84-T88 PolarHBondContact O-N 3.18Å; Q84-T88 PolarHBondContact O-OG1 2.92Å; Q84-T88 VanDerWaalsContact O-OG1 3.06Å
85	E	78.6	Confident	80.8	Confident	135 Å²	135	75.7 Å²	75.7	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-68.2	-41.2	-177.9	-168.9	174.3	-167	0	0	111.5	N83 R87 T88 I89	N83-E85 PolarHBondContact O-N 3.23Å; N83-E85 WeakPolarHBondContact OD1-CB 3.24Å; N83-E85 PolarHBondContact OD1-N 2.86Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-R87 PolarHBondContact O-N 3.03Å; E85-T88 VanDerWaalsContact C-OG1 3.3Å; E85-T88 VanDerWaalsContact CA-OG1 3.29Å; E85-T88 WeakPolarHBondContact CA-OG1 3.33Å; E85-T88 PolarHBondContact O-N 2.76Å; E85-T88 PolarHBondContact O-OG1 2.89Å; E85-I89 HydrophobicContact CG-CD1 4.43Å; E85-I89 WeakPolarHBondContact O-CG1 3.25Å; E85-I89 PolarHBondContact O-N 3.06Å
86	A	77.4	Confident	81.1	Confident	22 Å²	22	77.8 Å²	77.8	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-63.8	-38.7	173.4	0	0	0	0	0	111.9	T81 N83 T88 I89 I90	T81-A86 HydrophobicContact CG2-CB 3.87Å; N83-A86 HydrophobicContact CB-CB 4.15Å; N83-A86 PolarHBondContact O-N 3.23Å; N83-A86 PolarHBondContact OD1-N 3.24Å; A86-T88 PolarHBondContact O-N 3.04Å; A86-I89 PolarHBondContact O-N 3.39Å; A86-I90 WeakPolarHBondContact O-CB 3.31Å; A86-I90 WeakPolarHBondContact O-CD1 3.49Å; A86-I90 VanDerWaalsContact O-CG1 3.22Å; A86-I90 WeakPolarHBondContact O-CG1 3.35Å; A86-I90 PolarHBondContact O-N 3.36Å
87	R	78.8	Confident	81.4	Confident	70 Å²	70	74 Å²	74	26%	0.264	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-39.4	175.4	-68.5	172.1	69.9	100.5	0.5	112.1	K78 T81 N83 Q84 E85 T91	K78-R87 HydrophobicContact CG-CB 3.97Å; K78-R87 HydrophobicContact CG-CG 3.87Å; K78-R87 PolarHBondContact O-NH1 3.12Å; T81-R87 WeakPolarHBondContact O-CD 3.45Å; T81-R87 PolarHBondContact O-NH1 2.96Å; N83-R87 WeakPolarHBondContact O-CG 3.36Å; N83-R87 PolarHBondContact O-N 3.49Å; Q84-R87 WeakPolarHBondContact O-CB 3.49Å; Q84-R87 PolarHBondContact O-N 3.32Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-R87 PolarHBondContact O-N 3.03Å; R87-T91 WeakPolarHBondContact O-CB 3.38Å; R87-T91 PolarHBondContact O-N 3.15Å; R87-T91 VanDerWaalsContact O-N 3.12Å; R87-T91 PolarHBondContact O-OG1 3.29Å
88	T	82.3	Confident	81.8	Confident	76 Å²	76	76.4 Å²	76.4	47%	0.466	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-45.5	174.8	30.2	0	0	0	0	112.3	Q84 E85 A86 I90 T91 D92	Q84-T88 PolarHBondContact O-N 3.18Å; Q84-T88 PolarHBondContact O-OG1 2.92Å; Q84-T88 VanDerWaalsContact O-OG1 3.06Å; E85-T88 VanDerWaalsContact C-OG1 3.3Å; E85-T88 VanDerWaalsContact CA-OG1 3.29Å; E85-T88 WeakPolarHBondContact CA-OG1 3.33Å; E85-T88 PolarHBondContact O-N 2.76Å; E85-T88 PolarHBondContact O-OG1 2.89Å; A86-T88 PolarHBondContact O-N 3.04Å; T88-I90 PolarHBondContact O-N 3.29Å; T88-T91 PolarHBondContact O-N 3.11Å; T88-T91 VanDerWaalsContact O-N 3.16Å; T88-D92 PolarHBondContact O-N 3.32Å
89	I	84.1	Confident	82.3	Confident	80 Å²	80	77.7 Å²	77.7	41%	0.41	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-42.8	178.9	-67.2	167.1	0	0	0	111.4	E85 A86 T91 R93	E85-I89 HydrophobicContact CG-CD1 4.43Å; E85-I89 WeakPolarHBondContact O-CG1 3.25Å; E85-I89 PolarHBondContact O-N 3.06Å; A86-I89 PolarHBondContact O-N 3.39Å; I89-T91 VanDerWaalsContact C-N 3.31Å; I89-T91 PolarHBondContact O-N 3.13Å; I89-R93 WeakPolarHBondContact O-CG 3.35Å; I89-R93 PolarHBondContact O-N 3.29Å
90	I	83.4	Confident	82.8	Confident	4 Å²	4	74.2 Å²	74.2	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-40.6	176.9	-67.2	165.3	0	0	0	110.4	L12 F15 A74 L77 A86 T88 R93 I94	L12-I90 HydrophobicContact CD1-CD1 3.8Å; L12-I90 HydrophobicContact CD1-CG1 4.11Å; F15-I90 HydrophobicContact CE1-CG1 4.34Å; F15-I90 HydrophobicContact CE1-CG2 4.19Å; F15-I90 HydrophobicContact CZ-CG2 4.21Å; A74-I90 HydrophobicContact CB-CG2 3.78Å; L77-I90 HydrophobicContact CB-CD1 4.15Å; A86-I90 WeakPolarHBondContact O-CB 3.31Å; A86-I90 WeakPolarHBondContact O-CD1 3.49Å; A86-I90 VanDerWaalsContact O-CG1 3.22Å; A86-I90 WeakPolarHBondContact O-CG1 3.35Å; A86-I90 PolarHBondContact O-N 3.36Å; T88-I90 PolarHBondContact O-N 3.29Å; I90-R93 PolarHBondContact O-N 3.08Å; I90-I94 HydrophobicContact CG2-CD1 4.13Å; I90-I94 VanDerWaalsContact O-CG1 3.27Å; I90-I94 WeakPolarHBondContact O-CG1 3.5Å; I90-I94 PolarHBondContact O-N 3.29Å
91	T	84.6	Confident	83.7	Confident	37 Å²	37	65.8 Å²	65.8	23%	0.227	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-48.1	178.5	-54.5	0	0	0	0	111.6	K78 R87 T88 I89 R93 I94 E95	K78-T91 WeakPolarHBondContact CD-OG1 3.47Å; R87-T91 WeakPolarHBondContact O-CB 3.38Å; R87-T91 PolarHBondContact O-N 3.15Å; R87-T91 VanDerWaalsContact O-N 3.12Å; R87-T91 PolarHBondContact O-OG1 3.29Å; T88-T91 PolarHBondContact O-N 3.11Å; T88-T91 VanDerWaalsContact O-N 3.16Å; I89-T91 VanDerWaalsContact C-N 3.31Å; I89-T91 PolarHBondContact O-N 3.13Å; T91-R93 VanDerWaalsContact C-N 3.28Å; T91-R93 PolarHBondContact O-N 3Å; T91-I94 PolarHBondContact O-N 2.82Å; T91-E95 PolarHBondContact O-N 3.27Å
92	D	85.8	Confident	84.7	Confident	65 Å²	65	68.4 Å²	68.4	35%	0.348	35%	0.345	S	S	.	.	H	α-helix	trans	-58.1	-39.4	176.3	177.7	53.7	0	0	0	111.8	T88 R96	T88-D92 PolarHBondContact O-N 3.32Å; D92-R96 VanDerWaalsContact CG-NE 3.26Å; D92-R96 WeakPolarHBondContact O-CB 3.37Å; D92-R96 WeakPolarHBondContact O-CG 3.47Å; D92-R96 PolarHBondContact O-N 3.06Å; D92-R96 IonicContact OD1-CZ 2.71Å; D92-R96 IonicContact OD1-NE 3.5Å; D92-R96 PolarHBondContact OD1-NE 3.46Å; D92-R96 IonicContact OD1-NH2 3.94Å; D92-R96 PolarHBondContact OD1-NH2 3.34Å; D92-R96 IonicContact OD2-CZ 2.75Å; D92-R96 VanDerWaalsContact OD2-CZ 3.25Å; D92-R96 IonicContact OD2-NE 3.29Å; D92-R96 PolarHBondContact OD2-NE 3.1Å; D92-R96 IonicContact OD2-NH2 2.75Å; D92-R96 PolarHBondContact OD2-NH2 3.06Å
93	R	87.4	Confident	85.6	Confident	75 Å²	75	67.3 Å²	67.3	28%	0.283	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-42.8	176.2	-75.9	-179	-175.1	-159.6	-6.3	113.1	N16 W19 I89 I90 T91 I97	N16-R93 PolarHBondContact OD1-NH1 3.35Å; W19-R93 HydrophobicContact CD2-CB 4.43Å; W19-R93 HydrophobicContact CD2-CG 4.44Å; W19-R93 HydrophobicContact CZ2-CB 4.3Å; W19-R93 HydrophobicContact CZ2-CG 4.07Å; W19-R93 PolarHBondContact NE1-O 2.71Å; I89-R93 WeakPolarHBondContact O-CG 3.35Å; I89-R93 PolarHBondContact O-N 3.29Å; I90-R93 PolarHBondContact O-N 3.08Å; T91-R93 VanDerWaalsContact C-N 3.28Å; T91-R93 PolarHBondContact O-N 3Å; R93-I97 WeakPolarHBondContact O-CG2 3.38Å; R93-I97 PolarHBondContact O-N 3.28Å; R93-I97 VanDerWaalsContact O-N 3.1Å
94	I	87.8	Confident	86.3	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-50.1	175.5	-64	163.7	0	0	0	110.2	F15 I71 A74 I90 T91 R96 I97 Q98	F15-I94 HydrophobicContact CZ-CG1 4.47Å; I71-I94 HydrophobicContact CG1-CG2 4.02Å; A74-I94 HydrophobicContact CB-CD1 3.2Å; A74-I94 HydrophobicContact CB-CG1 3.41Å; A74-I94 VanDerWaalsContact CB-CG1 3.41Å; I90-I94 HydrophobicContact CG2-CD1 4.13Å; I90-I94 VanDerWaalsContact O-CG1 3.27Å; I90-I94 WeakPolarHBondContact O-CG1 3.5Å; I90-I94 PolarHBondContact O-N 3.29Å; T91-I94 PolarHBondContact O-N 2.82Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 3.43Å; I94-I97 WeakPolarHBondContact O-CG2 3.47Å; I94-I97 PolarHBondContact O-N 3.33Å; I94-Q98 HydrophobicContact CG2-CG 4.18Å; I94-Q98 WeakPolarHBondContact O-CB 3.13Å; I94-Q98 VanDerWaalsContact O-CG 3.31Å; I94-Q98 WeakPolarHBondContact O-CG 3.43Å; I94-Q98 PolarHBondContact O-N 3.13Å
95	E	87.8	Confident	87	Confident	105 Å²	105	60.5 Å²	60.5	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-42.2	-178.8	-73.7	176.3	-173.6	0	0	110.9	T91 Q98 N99	T91-E95 PolarHBondContact O-N 3.27Å; E95-Q98 PolarHBondContact O-N 3.43Å; E95-N99 WeakPolarHBondContact O-CB 3.27Å; E95-N99 PolarHBondContact O-N 3.44Å; E95-N99 PolarHBondContact O-ND2 2.82Å; E95-N99 PolarHBondContact O-OD1 3.21Å
96	R	88.6	Confident	87.7	Confident	144 Å²	144	59.2 Å²	59.2	54%	0.543	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-46.4	176.5	-75.8	175.6	-165.7	-138.1	11.1	113.4	D92 I94 N99 Q100	D92-R96 VanDerWaalsContact CG-NE 3.26Å; D92-R96 WeakPolarHBondContact O-CB 3.37Å; D92-R96 WeakPolarHBondContact O-CG 3.47Å; D92-R96 PolarHBondContact O-N 3.06Å; D92-R96 IonicContact OD1-CZ 2.71Å; D92-R96 IonicContact OD1-NE 3.5Å; D92-R96 PolarHBondContact OD1-NE 3.46Å; D92-R96 IonicContact OD1-NH2 3.94Å; D92-R96 PolarHBondContact OD1-NH2 3.34Å; D92-R96 IonicContact OD2-CZ 2.75Å; D92-R96 VanDerWaalsContact OD2-CZ 3.25Å; D92-R96 IonicContact OD2-NE 3.29Å; D92-R96 PolarHBondContact OD2-NE 3.1Å; D92-R96 IonicContact OD2-NH2 2.75Å; D92-R96 PolarHBondContact OD2-NH2 3.06Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 3.43Å; R96-N99 PolarHBondContact O-N 2.94Å; R96-Q100 VanDerWaalsContact O-CB 3.27Å; R96-Q100 WeakPolarHBondContact O-CB 3.44Å; R96-Q100 PolarHBondContact O-N 3.12Å
97	I	89.3	Confident	88.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-73.4	-31	-177.7	-161.8	167	0	0	0	111.9	W19 L22 T23 L26 L67 L70 R93 I94 W101	W19-I97 HydrophobicContact CG-CD1 4.37Å; L22-I97 HydrophobicContact CB-CD1 3.75Å; L22-I97 HydrophobicContact CD2-CD1 3.76Å; L22-I97 HydrophobicContact CD2-CG1 4.46Å; L22-I97 HydrophobicContact CG-CD1 3.83Å; T23-I97 WeakPolarHBondContact OG1-CD1 3.42Å; L26-I97 HydrophobicContact CD1-CG1 3.96Å; L67-I97 HydrophobicContact CD1-CG1 4.31Å; L67-I97 HydrophobicContact CD1-CG2 3.92Å; L70-I97 HydrophobicContact CD2-CD1 3.79Å; L70-I97 HydrophobicContact CD2-CG2 4.27Å; R93-I97 WeakPolarHBondContact O-CG2 3.38Å; R93-I97 PolarHBondContact O-N 3.28Å; R93-I97 VanDerWaalsContact O-N 3.1Å; I94-I97 WeakPolarHBondContact O-CG2 3.47Å; I94-I97 PolarHBondContact O-N 3.33Å; I97-W101 VanDerWaalsContact O-CB 3.28Å; I97-W101 WeakPolarHBondContact O-CB 3.13Å; I97-W101 PolarHBondContact O-N 3.49Å
98	Q	88.7	Confident	88.9	Confident	64 Å²	64	58.3 Å²	58.3	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-49.9	170.5	-74.4	-179.8	-41.6	0	0	111.2	I71 I94 E95 Q100 W101 D102	I71-Q98 HydrophobicContact CD1-CG 4.01Å; I71-Q98 HydrophobicContact CG1-CG 4.36Å; I94-Q98 HydrophobicContact CG2-CG 4.18Å; I94-Q98 WeakPolarHBondContact O-CB 3.13Å; I94-Q98 VanDerWaalsContact O-CG 3.31Å; I94-Q98 WeakPolarHBondContact O-CG 3.43Å; I94-Q98 PolarHBondContact O-N 3.13Å; E95-Q98 PolarHBondContact O-N 3.43Å; Q98-Q100 VanDerWaalsContact C-N 3.31Å; Q98-Q100 PolarHBondContact O-N 3.02Å; Q98-W101 WeakPolarHBondContact O-CB 3.37Å; Q98-W101 PolarHBondContact O-N 2.79Å; Q98-W101 VanDerWaalsContact O-N 3.16Å; Q98-D102 PolarHBondContact O-N 2.79Å
99	N	90.9	Very high	89.3	Confident	90 Å²	90	58.7 Å²	58.7	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-44.1	176.3	-69.2	-15.6	0	0	0	111.1	E95 R96 W101 D102 E103	E95-N99 WeakPolarHBondContact O-CB 3.27Å; E95-N99 PolarHBondContact O-N 3.44Å; E95-N99 PolarHBondContact O-ND2 2.82Å; E95-N99 PolarHBondContact O-OD1 3.21Å; R96-N99 PolarHBondContact O-N 2.94Å; N99-W101 VanDerWaalsContact C-N 3.32Å; N99-W101 PolarHBondContact O-N 3.32Å; N99-D102 PolarHBondContact O-N 3.37Å; N99-E103 WeakPolarHBondContact O-CB 3.2Å; N99-E103 VanDerWaalsContact O-CG 3.29Å; N99-E103 WeakPolarHBondContact O-CG 3.22Å; N99-E103 PolarHBondContact O-N 3.48Å
100	Q	89.8	Confident	89.7	Confident	39 Å²	39	58.5 Å²	58.5	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-38.2	177.8	-171	179.5	13.3	0	0	112.1	L26 S27 R96 Q98 V104	L26-Q100 HydrophobicContact CB-CG 4.15Å; L26-Q100 HydrophobicContact CD1-CB 4.34Å; L26-Q100 HydrophobicContact CD1-CG 4.19Å; S27-Q100 PolarHBondContact OG-NE2 2.93Å; R96-Q100 VanDerWaalsContact O-CB 3.27Å; R96-Q100 WeakPolarHBondContact O-CB 3.44Å; R96-Q100 PolarHBondContact O-N 3.12Å; Q98-Q100 VanDerWaalsContact C-N 3.31Å; Q98-Q100 PolarHBondContact O-N 3.02Å; Q100-V104 HydrophobicContact CG-CG2 4.39Å; Q100-V104 WeakPolarHBondContact O-CB 3.33Å; Q100-V104 WeakPolarHBondContact O-CG2 3.46Å; Q100-V104 PolarHBondContact O-N 3.04Å
101	W	93.6	Very high	90.1	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-47.8	173.8	-177.2	-77.7	0	0	0	111.3	L22 W25 L26 L60 R63 R64 L67 I97 Q98 N99 V104 Q105	L22-W101 HydrophobicContact CD1-CZ3 4.19Å; W25-W101 HydrophobicContact CZ3-CH2 4.41Å; W25-W101 AromaticContact CZ3-CZ3 3.91Å; W25-W101 HydrophobicContact CZ3-CZ3 3.91Å; L26-W101 HydrophobicContact CD1-CB 4.17Å; L26-W101 HydrophobicContact CD1-CE3 4.06Å; L26-W101 HydrophobicContact CD2-CD2 4.25Å; L26-W101 HydrophobicContact CD2-CE3 3.66Å; L26-W101 HydrophobicContact CD2-CZ3 4.18Å; L26-W101 HydrophobicContact CG-CE3 4.24Å; L60-W101 HydrophobicContact CD1-CD2 3.96Å; L60-W101 HydrophobicContact CD1-CE3 3.97Å; L60-W101 HydrophobicContact CD1-CH2 3.54Å; L60-W101 HydrophobicContact CD1-CZ2 3.54Å; L60-W101 HydrophobicContact CD1-CZ3 3.75Å; L60-W101 HydrophobicContact CG-CH2 4.1Å; L60-W101 HydrophobicContact CG-CZ2 3.7Å; L60-W101 WeakPolarHBondContact O-CH2 3.38Å; L60-W101 WeakPolarHBondContact O-CZ2 3.5Å; R63-W101 HydrophobicContact CB-CH2 3.76Å; R63-W101 HydrophobicContact CB-CZ3 4.13Å; R64-W101 HydrophobicContact CB-CH2 4.36Å; R64-W101 HydrophobicContact CB-CZ2 3.94Å; L67-W101 HydrophobicContact CB-CE3 4.32Å; L67-W101 HydrophobicContact CB-CZ3 4.4Å; L67-W101 HydrophobicContact CD2-CB 3.91Å; L67-W101 HydrophobicContact CD2-CD2 3.6Å; L67-W101 HydrophobicContact CD2-CE3 3.88Å; L67-W101 HydrophobicContact CD2-CG 3.59Å; I97-W101 VanDerWaalsContact O-CB 3.28Å; I97-W101 WeakPolarHBondContact O-CB 3.13Å; I97-W101 PolarHBondContact O-N 3.49Å; Q98-W101 WeakPolarHBondContact O-CB 3.37Å; Q98-W101 PolarHBondContact O-N 2.79Å; Q98-W101 VanDerWaalsContact O-N 3.16Å; N99-W101 VanDerWaalsContact C-N 3.32Å; N99-W101 PolarHBondContact O-N 3.32Å; W101-V104 PolarHBondContact O-N 2.78Å; W101-Q105 VanDerWaalsContact O-CB 3.26Å; W101-Q105 WeakPolarHBondContact O-CB 3.42Å; W101-Q105 PolarHBondContact O-N 2.94Å
102	D	92.8	Very high	90.4	Very high	89 Å²	89	62.1 Å²	62.1	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-42.1	179.7	-69.8	-22.9	0	0	0	111.2	Q98 N99 Q105 E106	Q98-D102 PolarHBondContact O-N 2.79Å; N99-D102 PolarHBondContact O-N 3.37Å; D102-Q105 PolarHBondContact O-N 3.38Å; D102-E106 WeakPolarHBondContact O-CB 3.37Å; D102-E106 PolarHBondContact O-N 3.08Å
103	E	91.5	Very high	90.8	Very high	108 Å²	108	64.2 Å²	64.2	51%	0.505	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-48.9	174	-76.8	175	-170.8	0	0	111.8	N99 Q105 E106 H107	N99-E103 WeakPolarHBondContact O-CB 3.2Å; N99-E103 VanDerWaalsContact O-CG 3.29Å; N99-E103 WeakPolarHBondContact O-CG 3.22Å; N99-E103 PolarHBondContact O-N 3.48Å; E103-Q105 VanDerWaalsContact C-N 3.32Å; E103-Q105 PolarHBondContact O-N 2.88Å; E103-E106 PolarHBondContact O-N 3.05Å; E103-H107 WeakPolarHBondContact O-CB 3.18Å; E103-H107 VanDerWaalsContact O-CG 3.22Å; E103-H107 PolarHBondContact O-N 3.41Å
104	V	91.6	Very high	91	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-39.9	178.5	173.9	0	0	0	0	110.7	L26 L29 D30 I33 L60 Q100 W101 L108	L26-V104 HydrophobicContact CB-CG2 4.3Å; L26-V104 HydrophobicContact CD2-CB 4.2Å; L26-V104 HydrophobicContact CD2-CG1 4.24Å; L26-V104 HydrophobicContact CD2-CG2 4.18Å; L29-V104 HydrophobicContact CB-CG1 4.24Å; L29-V104 HydrophobicContact CD2-CG1 3.79Å; L29-V104 HydrophobicContact CG-CG1 4.22Å; D30-V104 HydrophobicContact CB-CG2 4.06Å; I33-V104 HydrophobicContact CD1-CG1 4Å; L60-V104 HydrophobicContact CD2-CG1 4.4Å; Q100-V104 HydrophobicContact CG-CG2 4.39Å; Q100-V104 WeakPolarHBondContact O-CB 3.33Å; Q100-V104 WeakPolarHBondContact O-CG2 3.46Å; Q100-V104 PolarHBondContact O-N 3.04Å; W101-V104 PolarHBondContact O-N 2.78Å; V104-L108 VanDerWaalsContact O-CB 3.23Å; V104-L108 WeakPolarHBondContact O-CB 3.35Å; V104-L108 PolarHBondContact O-N 3.28Å
105	Q	92	Very high	91.3	Very high	46 Å²	46	62.7 Å²	62.7	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-43.2	175.9	-171.4	-179.5	-52.5	0	0	111.1	L60 W101 D102 E103 L108 Q109	L60-Q105 HydrophobicContact CD2-CB 3.87Å; L60-Q105 HydrophobicContact CD2-CG 4.18Å; W101-Q105 VanDerWaalsContact O-CB 3.26Å; W101-Q105 WeakPolarHBondContact O-CB 3.42Å; W101-Q105 PolarHBondContact O-N 2.94Å; D102-Q105 PolarHBondContact O-N 3.38Å; E103-Q105 VanDerWaalsContact C-N 3.32Å; E103-Q105 PolarHBondContact O-N 2.88Å; Q105-L108 PolarHBondContact O-N 3.21Å; Q105-Q109 WeakPolarHBondContact O-CB 3.41Å; Q105-Q109 VanDerWaalsContact O-CG 3.32Å; Q105-Q109 WeakPolarHBondContact O-CG 3.37Å; Q105-Q109 PolarHBondContact O-N 3.02Å
106	E	93.1	Very high	91.5	Very high	108 Å²	108	61 Å²	61	51%	0.505	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-48.9	176.3	-170.9	-174.3	163.3	0	0	111.2	D102 E103 L108 Q109 N110	D102-E106 WeakPolarHBondContact O-CB 3.37Å; D102-E106 PolarHBondContact O-N 3.08Å; E103-E106 PolarHBondContact O-N 3.05Å; E106-L108 VanDerWaalsContact C-N 3.26Å; E106-L108 PolarHBondContact O-N 3.47Å; E106-Q109 PolarHBondContact O-N 2.87Å; E106-Q109 VanDerWaalsContact O-N 3.14Å; E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 VanDerWaalsContact O-CG 3.26Å; E106-N110 PolarHBondContact O-N 3.12Å; E106-N110 PolarHBondContact O-ND2 3.33Å
107	H	91.9	Very high	91.8	Very high	73 Å²	73	58.5 Å²	58.5	34%	0.338	28%	0.279	S	S	.	.	H	α-helix	trans	-56.6	-42.6	176.2	-70.5	170.7	0	0	0	111.8	D30 I33 E103 N110 R111	D30-H107 IonicContact OD1-CE1 3.27Å; D30-H107 IonicContact OD1-CG 3.24Å; D30-H107 IonicContact OD1-ND1 3.49Å; D30-H107 PolarHBondContact OD1-ND1 3.13Å; I33-H107 HydrophobicContact CG2-CB 4.42Å; E103-H107 WeakPolarHBondContact O-CB 3.18Å; E103-H107 VanDerWaalsContact O-CG 3.22Å; E103-H107 PolarHBondContact O-N 3.41Å; H107-N110 PolarHBondContact O-N 2.81Å; H107-R111 WeakPolarHBondContact O-CB 3.31Å; H107-R111 PolarHBondContact O-N 3.27Å
108	L	90.6	Very high	92.1	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-43	178	-168.3	62.1	0	0	0	111.2	I33 Q53 T56 M57 L60 V104 Q105 E106 R111 R112	I33-L108 HydrophobicContact CD1-CB 3.75Å; I33-L108 HydrophobicContact CD1-CD1 3.77Å; I33-L108 HydrophobicContact CD1-CG 4.23Å; I33-L108 HydrophobicContact CG1-CD1 3.66Å; Q53-L108 HydrophobicContact CG-CD1 4.01Å; Q53-L108 VanDerWaalsContact NE2-CD1 3.3Å; Q53-L108 PolarHBondContact NE2-O 3.43Å; T56-L108 HydrophobicContact CG2-CD1 4.03Å; T56-L108 HydrophobicContact CG2-CD2 4.39Å; M57-L108 VanDerWaalsContact CA-CD2 3.44Å; M57-L108 HydrophobicContact CB-CD2 3.74Å; M57-L108 HydrophobicContact CB-CG 4.33Å; M57-L108 HydrophobicContact CE-CD2 4.48Å; M57-L108 HydrophobicContact CE-CG 4.1Å; M57-L108 HydrophobicContact CG-CD2 4.16Å; L60-L108 HydrophobicContact CD2-CD2 4.12Å; V104-L108 VanDerWaalsContact O-CB 3.23Å; V104-L108 WeakPolarHBondContact O-CB 3.35Å; V104-L108 PolarHBondContact O-N 3.28Å; Q105-L108 PolarHBondContact O-N 3.21Å; E106-L108 VanDerWaalsContact C-N 3.26Å; E106-L108 PolarHBondContact O-N 3.47Å; L108-R111 PolarHBondContact O-N 3.12Å; L108-R112 PolarHBondContact O-N 3.26Å
109	Q	90.7	Very high	92.4	Very high	83 Å²	83	57 Å²	57	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.2	-74.9	-178.4	5.2	0	0	112.3	M57 Q105 E106 R112 Q113	M57-Q109 HydrophobicContact CE-CG 4.08Å; Q105-Q109 WeakPolarHBondContact O-CB 3.41Å; Q105-Q109 VanDerWaalsContact O-CG 3.32Å; Q105-Q109 WeakPolarHBondContact O-CG 3.37Å; Q105-Q109 PolarHBondContact O-N 3.02Å; E106-Q109 PolarHBondContact O-N 2.87Å; E106-Q109 VanDerWaalsContact O-N 3.14Å; Q109-R112 VanDerWaalsContact O-CB 3.32Å; Q109-R112 WeakPolarHBondContact O-CB 3.43Å; Q109-R112 PolarHBondContact O-N 2.78Å; Q109-Q113 PolarHBondContact O-N 3.37Å
110	N	91.7	Very high	92.5	Very high	77 Å²	77	59 Å²	59	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-45.5	176.8	-72.4	-16.8	0	0	0	111	E106 H107 R112 Q113 Q114	E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 VanDerWaalsContact O-CG 3.26Å; E106-N110 PolarHBondContact O-N 3.12Å; E106-N110 PolarHBondContact O-ND2 3.33Å; H107-N110 PolarHBondContact O-N 2.81Å; N110-R112 VanDerWaalsContact C-N 3.31Å; N110-R112 PolarHBondContact O-N 2.92Å; N110-Q113 PolarHBondContact O-N 2.86Å; N110-Q114 WeakPolarHBondContact O-CB 3.35Å; N110-Q114 PolarHBondContact O-N 2.84Å
111	R	92.7	Very high	92.8	Very high	20 Å²	20	57.7 Å²	57.7	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-37.2	176.2	-174.3	56.6	-179.1	165.5	3.7	112	I33 Q36 H107 L108 Q114 L115 D194	I33-R111 HydrophobicContact CG2-CB 4.13Å; I33-R111 HydrophobicContact CG2-CG 4.45Å; Q36-R111 VanDerWaalsContact O-CZ 3.23Å; Q36-R111 PolarHBondContact O-NE 2.79Å; Q36-R111 PolarHBondContact O-NH2 2.85Å; H107-R111 WeakPolarHBondContact O-CB 3.31Å; H107-R111 PolarHBondContact O-N 3.27Å; L108-R111 PolarHBondContact O-N 3.12Å; R111-Q114 PolarHBondContact O-N 2.76Å; R111-L115 HydrophobicContact CG-CD1 4.18Å; R111-L115 HydrophobicContact CG-CG 4.5Å; R111-L115 WeakPolarHBondContact O-CB 3.23Å; R111-L115 WeakPolarHBondContact O-CG 3.38Å; R111-L115 PolarHBondContact O-N 2.76Å; R111-D194 IonicContact CZ-OD1 3.55Å; R111-D194 IonicContact CZ-OD2 3.81Å; R111-D194 IonicContact NH1-OD1 3.76Å; R111-D194 IonicContact NH1-OD2 3.44Å; R111-D194 PolarHBondContact NH1-OD2 3.3Å; R111-D194 VanDerWaalsContact NH2-CG 3.33Å; R111-D194 IonicContact NH2-OD1 2.68Å; R111-D194 PolarHBondContact NH2-OD1 2.83Å; R111-D194 IonicContact NH2-OD2 3.57Å; R111-D194 PolarHBondContact NH2-OD2 3.29Å; R111-D194 VanDerWaalsContact NH2-OD2 3.14Å
112	R	90.8	Very high	92.8	Very high	97 Å²	97	57.7 Å²	57.7	37%	0.366	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-48.6	172.8	-167	174.5	60.8	162	1.4	111.7	Q53 M57 L108 Q109 N110 Q114 L115 N116	Q53-R112 VanDerWaalsContact OE1-CG 3.26Å; M57-R112 HydrophobicContact CE-CB 4.39Å; L108-R112 PolarHBondContact O-N 3.26Å; Q109-R112 VanDerWaalsContact O-CB 3.32Å; Q109-R112 WeakPolarHBondContact O-CB 3.43Å; Q109-R112 PolarHBondContact O-N 2.78Å; N110-R112 VanDerWaalsContact C-N 3.31Å; N110-R112 PolarHBondContact O-N 2.92Å; R112-Q114 VanDerWaalsContact C-N 3.35Å; R112-L115 PolarHBondContact O-N 2.89Å; R112-N116 PolarHBondContact O-N 2.76Å; R112-N116 VanDerWaalsContact O-N 3.09Å; R112-N116 PolarHBondContact O-ND2 3.34Å
113	Q	92.8	Very high	92.9	Very high	108 Å²	108	55.6 Å²	55.6	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-61.6	-47.9	-179.5	-179.5	173.9	-11.1	0	0	110	Q109 N110 L115 N116 E117	Q109-Q113 PolarHBondContact O-N 3.37Å; N110-Q113 PolarHBondContact O-N 2.86Å; Q113-L115 VanDerWaalsContact C-N 3.34Å; Q113-L115 PolarHBondContact O-N 2.96Å; Q113-N116 PolarHBondContact O-N 2.67Å; Q113-N116 VanDerWaalsContact O-N 3.12Å; Q113-E117 HydrophobicContact CG-CG 4.39Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.3Å; Q113-E117 PolarHBondContact NE2-OE1 2.91Å; Q113-E117 WeakPolarHBondContact O-CG 3.43Å; Q113-E117 PolarHBondContact O-N 3.35Å
114	Q	93.1	Very high	93	Very high	61 Å²	61	54 Å²	54	29%	0.285	26%	0.255	S	S	.	.	H	α-helix	trans	-57.8	-42.9	178.1	-169.7	179.5	41.6	0	0	112.5	N110 R111 R112 E117 M118 Y191	N110-Q114 WeakPolarHBondContact O-CB 3.35Å; N110-Q114 PolarHBondContact O-N 2.84Å; R111-Q114 PolarHBondContact O-N 2.76Å; R112-Q114 VanDerWaalsContact C-N 3.35Å; Q114-E117 PolarHBondContact O-N 2.78Å; Q114-M118 WeakPolarHBondContact O-CB 3.36Å; Q114-M118 PolarHBondContact O-N 2.8Å; Q114-Y191 HydrophobicContact CG-CD1 4.15Å; Q114-Y191 HydrophobicContact CG-CE1 4.14Å
115	L	92.8	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-37.3	176.9	-73.4	168.6	0	0	0	112.8	V38 I46 M49 I50 Q53 R111 R112 Q113 M118 L119	V38-L115 HydrophobicContact CG1-CD2 4.16Å; V38-L115 HydrophobicContact CG2-CD2 3.86Å; I46-L115 HydrophobicContact CG2-CD2 4.5Å; I46-L115 WeakPolarHBondContact CG2-O 3.49Å; M49-L115 HydrophobicContact CB-CD1 4.33Å; M49-L115 HydrophobicContact CB-CD2 4.34Å; M49-L115 HydrophobicContact CG-CD1 3.71Å; M49-L115 HydrophobicContact CG-CD2 4.09Å; I50-L115 HydrophobicContact CD1-CB 4.23Å; I50-L115 HydrophobicContact CG1-CB 3.61Å; I50-L115 HydrophobicContact CG1-CD1 4.35Å; Q53-L115 HydrophobicContact CB-CD1 4.24Å; Q53-L115 HydrophobicContact CG-CD1 4.3Å; R111-L115 HydrophobicContact CG-CD1 4.18Å; R111-L115 HydrophobicContact CG-CG 4.5Å; R111-L115 WeakPolarHBondContact O-CB 3.23Å; R111-L115 WeakPolarHBondContact O-CG 3.38Å; R111-L115 PolarHBondContact O-N 2.76Å; R112-L115 PolarHBondContact O-N 2.89Å; Q113-L115 VanDerWaalsContact C-N 3.34Å; Q113-L115 PolarHBondContact O-N 2.96Å; L115-M118 HydrophobicContact CD2-CE 4.43Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 PolarHBondContact O-N 3.28Å
116	N	93.5	Very high	93.4	Very high	70 Å²	70	54 Å²	54	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-70.9	-38.6	176.5	-75.4	-74.4	0	0	0	112.2	R112 Q113 L119 K120	R112-N116 PolarHBondContact O-N 2.76Å; R112-N116 VanDerWaalsContact O-N 3.09Å; R112-N116 PolarHBondContact O-ND2 3.34Å; Q113-N116 PolarHBondContact O-N 2.67Å; Q113-N116 VanDerWaalsContact O-N 3.12Å; N116-L119 PolarHBondContact O-N 3.34Å; N116-K120 PolarHBondContact O-N 3.28Å; N116-K120 VanDerWaalsContact O-N 3.11Å
117	E	94.5	Very high	93.4	Very high	90 Å²	90	54.4 Å²	54.4	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-64.8	-43.4	173.1	-71.6	174.4	-179.5	0	0	110.7	Q113 Q114 L119 K120 D121 Y191	Q113-E117 HydrophobicContact CG-CG 4.39Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.3Å; Q113-E117 PolarHBondContact NE2-OE1 2.91Å; Q113-E117 WeakPolarHBondContact O-CG 3.43Å; Q113-E117 PolarHBondContact O-N 3.35Å; Q114-E117 PolarHBondContact O-N 2.78Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.49Å; E117-K120 PolarHBondContact O-N 3.42Å; E117-D121 WeakPolarHBondContact O-CB 3.34Å; E117-D121 PolarHBondContact O-N 3.4Å; E117-Y191 WeakPolarHBondContact CB-OH 3.23Å; E117-Y191 PolarHBondContact O-OH 3.29Å
118	M	94.9	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-40.7	175.6	-169.3	-166.7	-58.6	0	0	112.2	V38 V40 I46 Q114 L115 S122 Y191 D194	V38-M118 HydrophobicContact CG2-CE 3.8Å; V38-M118 HydrophobicContact CG2-SD 3.39Å; V38-M118 WeakPolarHBondContact CG2-SD 3.42Å; V40-M118 HydrophobicContact CB-SD 4.49Å; V40-M118 HydrophobicContact CG1-CG 4.24Å; V40-M118 HydrophobicContact CG2-CE 4.42Å; V40-M118 HydrophobicContact CG2-SD 3.95Å; I46-M118 HydrophobicContact CD1-CG 3.88Å; I46-M118 HydrophobicContact CD1-SD 3.8Å; I46-M118 HydrophobicContact CG1-CG 4.48Å; I46-M118 HydrophobicContact CG1-SD 3.83Å; Q114-M118 WeakPolarHBondContact O-CB 3.36Å; Q114-M118 PolarHBondContact O-N 2.8Å; L115-M118 HydrophobicContact CD2-CE 4.43Å; M118-S122 WeakPolarHBondContact O-CB 3.41Å; M118-S122 PolarHBondContact O-N 3.48Å; M118-S122 PolarHBondContact O-OG 3.31Å; M118-Y191 VanDerWaalsContact CA-CZ 3.42Å; M118-Y191 HydrophobicContact CB-CD1 3.83Å; M118-Y191 HydrophobicContact CB-CD2 4.42Å; M118-Y191 HydrophobicContact CB-CE1 3.59Å; M118-Y191 HydrophobicContact CB-CE2 4.24Å; M118-Y191 HydrophobicContact CB-CG 4.25Å; M118-Y191 HydrophobicContact CE-CD1 3.68Å; M118-Y191 HydrophobicContact CE-CE1 4.46Å; M118-Y191 HydrophobicContact CE-CG 3.98Å; M118-Y191 HydrophobicContact CG-CD1 3.9Å; M118-Y191 HydrophobicContact CG-CD2 3.95Å; M118-Y191 HydrophobicContact CG-CE1 4.11Å; M118-Y191 HydrophobicContact CG-CE2 4.19Å; M118-Y191 HydrophobicContact CG-CG 3.83Å; M118-Y191 PolarHBondContact N-OH 3.21Å; M118-D194 HydrophobicContact CE-CB 4.04Å; M118-D194 WeakPolarHBondContact CE-OD2 3.39Å
119	L	94.6	Very high	93.6	Very high	33 Å²	33	53 Å²	53	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-47.5	175.4	-175.4	68.9	0	0	0	110.8	L43 I46 N47 I50 L115 N116 E117 S122 T123	L43-L119 HydrophobicContact CB-CD1 4.2Å; L43-L119 HydrophobicContact CD2-CD1 3.79Å; I46-L119 HydrophobicContact CB-CD1 4.2Å; I46-L119 HydrophobicContact CG2-CB 3.79Å; I46-L119 HydrophobicContact CG2-CD1 4.01Å; I46-L119 HydrophobicContact CG2-CG 4.48Å; N47-L119 WeakPolarHBondContact ND2-CD1 3.14Å; N47-L119 VanDerWaalsContact OD1-CD2 3.26Å; N47-L119 WeakPolarHBondContact OD1-CD2 3.4Å; I50-L119 HydrophobicContact CD1-CB 4.27Å; I50-L119 HydrophobicContact CD1-CD2 4.04Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 PolarHBondContact O-N 3.28Å; N116-L119 PolarHBondContact O-N 3.34Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.49Å; L119-S122 PolarHBondContact O-N 2.94Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.28Å
120	K	94.4	Very high	93.8	Very high	132 Å²	132	55.8 Å²	55.8	57%	0.574	27%	0.265	S	S	*	.	H	α-helix	trans	-61.3	-49.8	178.9	-179.5	-175	174.4	-173.3	0	111.8	N116 E117 S122 T123 Q124	N116-K120 PolarHBondContact O-N 3.28Å; N116-K120 VanDerWaalsContact O-N 3.11Å; E117-K120 PolarHBondContact O-N 3.42Å; K120-S122 VanDerWaalsContact C-N 3.32Å; K120-S122 PolarHBondContact O-N 2.97Å; K120-T123 PolarHBondContact O-N 3.03Å; K120-Q124 WeakPolarHBondContact O-CG 3.33Å; K120-Q124 PolarHBondContact O-N 3.09Å; K120-Q124 VanDerWaalsContact O-N 3.08Å
121	D	94.9	Very high	93.9	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.064	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-36.8	-179.1	-71.5	-17.3	0	0	0	111.4	E117 Q124 W125 K186 L187 Y191	E117-D121 WeakPolarHBondContact O-CB 3.34Å; E117-D121 PolarHBondContact O-N 3.4Å; D121-Q124 PolarHBondContact O-N 2.84Å; D121-W125 WeakPolarHBondContact O-CB 3.29Å; D121-W125 PolarHBondContact O-N 3.33Å; D121-K186 IonicContact OD1-NZ 3.93Å; D121-K186 PolarHBondContact OD1-NZ 2.83Å; D121-K186 VanDerWaalsContact OD2-CE 3.24Å; D121-K186 WeakPolarHBondContact OD2-CE 3.34Å; D121-K186 IonicContact OD2-NZ 3.09Å; D121-K186 PolarHBondContact OD2-NZ 3.35Å; D121-L187 HydrophobicContact CB-CD2 3.52Å; D121-Y191 HydrophobicContact CB-CE2 3.99Å; D121-Y191 WeakPolarHBondContact OD2-CE2 3.5Å; D121-Y191 PolarHBondContact OD2-OH 3.38Å
122	S	95	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-38.7	176.1	-65.6	0	0	0	0	111.6	G41 I46 M118 L119 K120 L126	G41-S122 PolarHBondContact N-OG 2.96Å; G41-S122 VanDerWaalsContact N-OG 3.15Å; I46-S122 WeakPolarHBondContact CD1-OG 3.38Å; M118-S122 WeakPolarHBondContact O-CB 3.41Å; M118-S122 PolarHBondContact O-N 3.48Å; M118-S122 PolarHBondContact O-OG 3.31Å; L119-S122 PolarHBondContact O-N 2.94Å; K120-S122 VanDerWaalsContact C-N 3.32Å; K120-S122 PolarHBondContact O-N 2.97Å; S122-L126 WeakPolarHBondContact O-CB 3.4Å; S122-L126 VanDerWaalsContact O-CG 3.28Å; S122-L126 WeakPolarHBondContact O-CG 3.39Å; S122-L126 PolarHBondContact O-N 2.91Å
123	T	94.1	Very high	94	Very high	46 Å²	46	54.8 Å²	54.8	28%	0.282	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-47.4	174.4	-58	0	0	0	0	111.3	L43 L119 K120 W125 L126 E127	L43-T123 WeakPolarHBondContact CD2-OG1 3.41Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.28Å; K120-T123 PolarHBondContact O-N 3.03Å; T123-W125 VanDerWaalsContact C-N 3.31Å; T123-W125 PolarHBondContact O-N 3.4Å; T123-L126 PolarHBondContact O-N 3.08Å; T123-L126 VanDerWaalsContact O-N 3.16Å; T123-E127 WeakPolarHBondContact O-CG 3.42Å; T123-E127 PolarHBondContact O-N 3.26Å
124	Q	94.3	Very high	94	Very high	75 Å²	75	55.5 Å²	55.5	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-41.6	178.8	-71.1	-177.6	-16.5	0	0	112.2	K120 D121 A128 L183	K120-Q124 WeakPolarHBondContact O-CG 3.33Å; K120-Q124 PolarHBondContact O-N 3.09Å; K120-Q124 VanDerWaalsContact O-N 3.08Å; D121-Q124 PolarHBondContact O-N 2.84Å; Q124-A128 PolarHBondContact O-N 2.98Å; Q124-A128 VanDerWaalsContact O-N 3.08Å; Q124-L183 HydrophobicContact CB-CD1 4.4Å
125	W	96.3	Very high	94	Very high	1 Å²	1	53 Å²	53	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-41	175.5	171.4	69.9	0	0	0	112.4	D121 T123 E127 A128 K129 L183 L187 V199 I202	D121-W125 WeakPolarHBondContact O-CB 3.29Å; D121-W125 PolarHBondContact O-N 3.33Å; T123-W125 VanDerWaalsContact C-N 3.31Å; T123-W125 PolarHBondContact O-N 3.4Å; W125-E127 PolarHBondContact O-N 2.79Å; W125-A128 PolarHBondContact O-N 3.48Å; W125-K129 WeakPolarHBondContact O-CB 3.37Å; W125-K129 PolarHBondContact O-N 3.32Å; W125-L183 HydrophobicContact CB-CB 4.09Å; W125-L187 HydrophobicContact CB-CD1 3.46Å; W125-L187 VanDerWaalsContact CB-CD1 3.46Å; W125-L187 HydrophobicContact CB-CG 4.37Å; W125-L187 HydrophobicContact CD2-CD1 3.77Å; W125-L187 HydrophobicContact CE3-CD1 3.93Å; W125-L187 HydrophobicContact CG-CD1 3.56Å; W125-V199 HydrophobicContact CD2-CG1 4.41Å; W125-V199 HydrophobicContact CE3-CG2 4.22Å; W125-V199 HydrophobicContact CH2-CB 4.29Å; W125-V199 HydrophobicContact CH2-CG1 4.49Å; W125-V199 HydrophobicContact CH2-CG2 4.07Å; W125-V199 HydrophobicContact CZ2-CB 4.24Å; W125-V199 HydrophobicContact CZ2-CG1 3.98Å; W125-V199 HydrophobicContact CZ2-CG2 4.37Å; W125-V199 HydrophobicContact CZ3-CG2 3.99Å; W125-I202 HydrophobicContact CH2-CB 4.02Å; W125-I202 HydrophobicContact CH2-CD1 3.84Å; W125-I202 HydrophobicContact CH2-CG1 4.5Å; W125-I202 HydrophobicContact CH2-CG2 4Å; W125-I202 HydrophobicContact CZ2-CB 3.96Å; W125-I202 HydrophobicContact CZ2-CG2 3.75Å
126	L	93.9	Very high	94	Very high	48 Å²	48	53.3 Å²	53.3	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-39.6	177.9	-75.4	169.6	0	0	0	112.2	L43 S122 T123 K129 E130	L43-L126 HydrophobicContact CD1-CD1 3.71Å; L43-L126 HydrophobicContact CD2-CD1 4.04Å; L43-L126 HydrophobicContact CG-CD1 3.61Å; S122-L126 WeakPolarHBondContact O-CB 3.4Å; S122-L126 VanDerWaalsContact O-CG 3.28Å; S122-L126 WeakPolarHBondContact O-CG 3.39Å; S122-L126 PolarHBondContact O-N 2.91Å; T123-L126 PolarHBondContact O-N 3.08Å; T123-L126 VanDerWaalsContact O-N 3.16Å; L126-K129 HydrophobicContact CD2-CD 4.44Å; L126-K129 PolarHBondContact O-N 3.32Å; L126-E130 PolarHBondContact O-N 2.46Å
127	E	93.9	Very high	93.8	Very high	116 Å²	116	51.7 Å²	51.7	54%	0.542	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-50.6	173.9	-70.4	171.6	178	0	0	111.2	T123 W125 K129 E130 E131	T123-E127 WeakPolarHBondContact O-CG 3.42Å; T123-E127 PolarHBondContact O-N 3.26Å; W125-E127 PolarHBondContact O-N 2.79Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 3.38Å; E127-E130 PolarHBondContact O-N 2.77Å; E127-E130 VanDerWaalsContact O-N 3.15Å; E127-E131 PolarHBondContact O-N 3.38Å; E127-E131 VanDerWaalsContact O-N 3.11Å
128	A	93.3	Very high	93.7	Very high	7 Å²	7	51.6 Å²	51.6	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-35.5	177.9	0	0	0	0	0	112.8	Q124 W125 E131 A132 V179 A180 L183	Q124-A128 PolarHBondContact O-N 2.98Å; Q124-A128 VanDerWaalsContact O-N 3.08Å; W125-A128 PolarHBondContact O-N 3.48Å; A128-E131 PolarHBondContact O-N 3.19Å; A128-A132 PolarHBondContact O-N 3.14Å; A128-V179 HydrophobicContact CB-CG1 4.11Å; A128-A180 HydrophobicContact CB-CB 4.21Å; A128-L183 HydrophobicContact CB-CD1 3.59Å
129	K	94	Very high	93.5	Very high	38 Å²	38	51.6 Å²	51.6	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-41.9	174.1	175.1	-117.6	-179.8	-140.9	0	111.4	W125 L126 E127 A132 E133 I202 I206	W125-K129 WeakPolarHBondContact O-CB 3.37Å; W125-K129 PolarHBondContact O-N 3.32Å; L126-K129 HydrophobicContact CD2-CD 4.44Å; L126-K129 PolarHBondContact O-N 3.32Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 3.38Å; K129-A132 PolarHBondContact O-N 3.38Å; K129-E133 VanDerWaalsContact CE-CD 3.46Å; K129-E133 WeakPolarHBondContact CE-OE1 3.15Å; K129-E133 WeakPolarHBondContact CE-OE2 3.23Å; K129-E133 IonicContact NZ-OE1 3.58Å; K129-E133 PolarHBondContact NZ-OE1 3.27Å; K129-E133 IonicContact NZ-OE2 3.3Å; K129-E133 PolarHBondContact NZ-OE2 2.9Å; K129-E133 WeakPolarHBondContact O-CG 3.44Å; K129-E133 PolarHBondContact O-N 3Å; K129-I202 HydrophobicContact CD-CG2 3.95Å; K129-I202 HydrophobicContact CG-CG2 3.68Å; K129-I206 HydrophobicContact CB-CD1 4.46Å; K129-I206 HydrophobicContact CG-CD1 3.67Å
130	E	93.8	Very high	93.3	Very high	141 Å²	141	55.7 Å²	55.7	66%	0.659	27%	0.269	S	S	*	.	H	α-helix	trans	-65	-40.8	176.4	-171.5	169.8	-172	0	0	111.8	L126 E127 A132 E133 Q134	L126-E130 PolarHBondContact O-N 2.46Å; E127-E130 PolarHBondContact O-N 2.77Å; E127-E130 VanDerWaalsContact O-N 3.15Å; E130-A132 PolarHBondContact O-N 3.21Å; E130-E133 PolarHBondContact O-N 3.37Å; E130-Q134 WeakPolarHBondContact O-CB 3.28Å; E130-Q134 PolarHBondContact O-N 3.24Å
131	E	93.5	Very high	93.1	Very high	99 Å²	99	52.1 Å²	52.1	46%	0.463	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-44.1	173.6	-67.7	-175.2	-172.4	0	0	112.4	E127 A128 Q134 V135	E127-E131 PolarHBondContact O-N 3.38Å; E127-E131 VanDerWaalsContact O-N 3.11Å; A128-E131 PolarHBondContact O-N 3.19Å; E131-Q134 WeakPolarHBondContact O-CB 3.29Å; E131-Q134 PolarHBondContact O-N 2.91Å; E131-V135 PolarHBondContact O-N 3.36Å; E131-V135 VanDerWaalsContact O-N 3.15Å
132	A	92.4	Very high	92.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-40.6	176	0	0	0	0	0	112	A128 K129 E130 Q134 V135 L136 V177 A180 I206	A128-A132 PolarHBondContact O-N 3.14Å; K129-A132 PolarHBondContact O-N 3.38Å; E130-A132 PolarHBondContact O-N 3.21Å; A132-Q134 VanDerWaalsContact C-N 3.35Å; A132-V135 WeakPolarHBondContact O-CG2 3.27Å; A132-L136 WeakPolarHBondContact O-CB 3.32Å; A132-L136 VanDerWaalsContact O-CG 3.28Å; A132-L136 WeakPolarHBondContact O-CG 3.01Å; A132-L136 PolarHBondContact O-N 3.19Å; A132-L136 VanDerWaalsContact O-N 3.11Å; A132-V177 HydrophobicContact CB-CG2 4.34Å; A132-A180 HydrophobicContact CB-CB 3.9Å; A132-I206 HydrophobicContact CB-CD1 4.46Å; A132-I206 HydrophobicContact CB-CG2 4.1Å
133	E	93.3	Very high	92.4	Very high	73 Å²	73	55 Å²	55	34%	0.341	28%	0.276	S	S	.	.	H	α-helix	trans	-66.6	-34.8	174.8	-76.2	178.8	160	0	0	112.3	K129 E130 L136 G137 I206	K129-E133 VanDerWaalsContact CE-CD 3.46Å; K129-E133 WeakPolarHBondContact CE-OE1 3.15Å; K129-E133 WeakPolarHBondContact CE-OE2 3.23Å; K129-E133 IonicContact NZ-OE1 3.58Å; K129-E133 PolarHBondContact NZ-OE1 3.27Å; K129-E133 IonicContact NZ-OE2 3.3Å; K129-E133 PolarHBondContact NZ-OE2 2.9Å; K129-E133 WeakPolarHBondContact O-CG 3.44Å; K129-E133 PolarHBondContact O-N 3Å; E130-E133 PolarHBondContact O-N 3.37Å; E133-L136 PolarHBondContact O-N 3.5Å; E133-G137 PolarHBondContact O-N 3.37Å; E133-I206 HydrophobicContact CG-CD1 4.29Å; E133-I206 HydrophobicContact CG-CG1 4.3Å
134	Q	93.4	Very high	92	Very high	123 Å²	123	60.3 Å²	60.3	58%	0.575	30%	0.298	S	S	*	.	H	α-helix	trans	-64.3	-48.3	176.8	-168.2	-173.3	15.8	0	0	111.8	E130 E131 A132 L136 G137 Q138	E130-Q134 WeakPolarHBondContact O-CB 3.28Å; E130-Q134 PolarHBondContact O-N 3.24Å; E131-Q134 WeakPolarHBondContact O-CB 3.29Å; E131-Q134 PolarHBondContact O-N 2.91Å; A132-Q134 VanDerWaalsContact C-N 3.35Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 PolarHBondContact O-N 3.48Å; Q134-G137 PolarHBondContact O-N 2.92Å; Q134-Q138 WeakPolarHBondContact O-CG 3.26Å; Q134-Q138 PolarHBondContact O-N 3.13Å
135	V	93.1	Very high	91.5	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-35.2	178.3	-61.8	0	0	0	0	111.9	E131 A132 G137 Q138 A139 W173 N176 W210	E131-V135 PolarHBondContact O-N 3.36Å; E131-V135 VanDerWaalsContact O-N 3.15Å; A132-V135 WeakPolarHBondContact O-CG2 3.27Å; V135-G137 VanDerWaalsContact C-N 3.35Å; V135-Q138 PolarHBondContact O-N 2.99Å; V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 2.7Å; V135-W173 HydrophobicContact CB-CB 3.93Å; V135-W173 HydrophobicContact CB-CD2 4.13Å; V135-W173 HydrophobicContact CB-CE3 4.33Å; V135-W173 HydrophobicContact CB-CG 3.97Å; V135-W173 HydrophobicContact CG1-CB 4.08Å; V135-W173 HydrophobicContact CG1-CD2 4.32Å; V135-W173 HydrophobicContact CG1-CG 3.89Å; V135-W173 HydrophobicContact CG2-CB 4.18Å; V135-N176 HydrophobicContact CG1-CB 4.41Å; V135-N176 HydrophobicContact CG2-CB 4.1Å; V135-W210 HydrophobicContact CG2-CZ3 4.38Å
136	L	91.9	Very high	91	Very high	8 Å²	8	62.1 Å²	62.1	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-43	170.8	-79.2	172.4	0	0	0	111.8	A132 E133 Q134 A139 R140 I206 W210 I213	A132-L136 WeakPolarHBondContact O-CB 3.32Å; A132-L136 VanDerWaalsContact O-CG 3.28Å; A132-L136 WeakPolarHBondContact O-CG 3.01Å; A132-L136 PolarHBondContact O-N 3.19Å; A132-L136 VanDerWaalsContact O-N 3.11Å; E133-L136 PolarHBondContact O-N 3.5Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 PolarHBondContact O-N 3.48Å; L136-A139 PolarHBondContact O-N 3.43Å; L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.37Å; L136-R140 PolarHBondContact O-N 2.95Å; L136-I206 HydrophobicContact CD1-CB 4.28Å; L136-I206 HydrophobicContact CD1-CG1 4.39Å; L136-I206 HydrophobicContact CD1-CG2 3.85Å; L136-W210 HydrophobicContact CD2-CB 4.03Å; L136-W210 HydrophobicContact CD2-CD2 4.45Å; L136-W210 HydrophobicContact CD2-CE3 3.62Å; L136-W210 HydrophobicContact CD2-CZ3 4.49Å; L136-W210 HydrophobicContact CG-CE3 4.25Å; L136-I213 HydrophobicContact CD2-CD1 3.63Å
137	G	90.9	Very high	89.9	Confident	36 Å²	36	68.3 Å²	68.3	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-45.1	175.5	0	0	0	0	0	112.7	E133 Q134 V135 A139 R140 A141	E133-G137 PolarHBondContact O-N 3.37Å; Q134-G137 PolarHBondContact O-N 2.92Å; V135-G137 VanDerWaalsContact C-N 3.35Å; G137-A139 PolarHBondContact O-N 3.25Å; G137-R140 PolarHBondContact O-N 3.41Å; G137-A141 PolarHBondContact O-N 3.42Å
138	Q	91.4	Very high	88.5	Confident	87 Å²	87	70.7 Å²	70.7	41%	0.407	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-44.4	176.4	-69.8	178.4	24.6	0	0	111.9	Q134 V135 A141 K142 W173	Q134-Q138 WeakPolarHBondContact O-CG 3.26Å; Q134-Q138 PolarHBondContact O-N 3.13Å; V135-Q138 PolarHBondContact O-N 2.99Å; Q138-A141 PolarHBondContact O-N 2.99Å; Q138-K142 PolarHBondContact O-N 3.46Å; Q138-K142 VanDerWaalsContact O-N 3.08Å; Q138-W173 HydrophobicContact CB-CH2 4.08Å; Q138-W173 HydrophobicContact CB-CZ3 4.38Å
139	A	90.6	Very high	87.1	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-42.1	177.3	0	0	0	0	0	112.3	V135 L136 G137 K142 L143 L170 W173 I213	V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 2.7Å; L136-A139 PolarHBondContact O-N 3.43Å; G137-A139 PolarHBondContact O-N 3.25Å; A139-K142 PolarHBondContact O-N 3.29Å; A139-L143 WeakPolarHBondContact O-CG 3.36Å; A139-L143 PolarHBondContact O-N 3.3Å; A139-L170 HydrophobicContact CB-CD2 3.78Å; A139-W173 HydrophobicContact CB-CE3 4.48Å; A139-W173 HydrophobicContact CB-CZ3 4Å; A139-I213 HydrophobicContact CB-CD1 4.1Å; A139-I213 HydrophobicContact CB-CG2 3.8Å
140	R	90.9	Very high	85.7	Confident	119 Å²	119	74.1 Å²	74.1	45%	0.449	38%	0.38	S	S	.	.	H	α-helix	trans	-61.6	-46.6	176	-73.3	174	-177.3	-145.9	5.5	112.1	L136 G137 K142 L143 E144 S209 I213	L136-R140 VanDerWaalsContact O-CG 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.37Å; L136-R140 PolarHBondContact O-N 2.95Å; G137-R140 PolarHBondContact O-N 3.41Å; R140-K142 VanDerWaalsContact C-N 3.29Å; R140-K142 PolarHBondContact O-N 2.86Å; R140-L143 WeakPolarHBondContact O-CB 3.24Å; R140-L143 PolarHBondContact O-N 3.43Å; R140-E144 WeakPolarHBondContact O-CG 3.43Å; R140-E144 PolarHBondContact O-N 2.85Å; R140-S209 PolarHBondContact NH2-OG 3.28Å; R140-I213 HydrophobicContact CG-CD1 3.75Å; R140-I213 HydrophobicContact CG-CG1 4.35Å
141	A	89.3	Confident	84.5	Confident	57 Å²	57	70.7 Å²	70.7	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-39.4	177.8	0	0	0	0	0	111.9	G137 Q138 E144 S145	G137-A141 PolarHBondContact O-N 3.42Å; Q138-A141 PolarHBondContact O-N 2.99Å; A141-E144 PolarHBondContact O-N 2.99Å; A141-S145 WeakPolarHBondContact O-CB 3.28Å; A141-S145 PolarHBondContact O-N 3.31Å
142	K	87.6	Confident	83.6	Confident	66 Å²	66	68.6 Å²	68.6	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-40.4	176.6	-162.8	153.2	168.3	-173.4	0	111.6	Q138 A139 R140 E144 S145 L166 D169	Q138-K142 PolarHBondContact O-N 3.46Å; Q138-K142 VanDerWaalsContact O-N 3.08Å; A139-K142 PolarHBondContact O-N 3.29Å; R140-K142 VanDerWaalsContact C-N 3.29Å; R140-K142 PolarHBondContact O-N 2.86Å; K142-E144 VanDerWaalsContact C-N 3.34Å; K142-E144 PolarHBondContact O-N 3.17Å; K142-S145 PolarHBondContact O-N 3.27Å; K142-S145 PolarHBondContact O-OG 2.97Å; K142-L166 HydrophobicContact CB-CD1 4.34Å; K142-L166 HydrophobicContact CB-CD2 4.3Å; K142-L166 HydrophobicContact CD-CB 4.45Å; K142-L166 HydrophobicContact CD-CD1 3.96Å; K142-L166 HydrophobicContact CG-CD1 4.3Å; K142-L166 HydrophobicContact CG-CD2 4.18Å; K142-D169 IonicContact NZ-OD2 2.75Å; K142-D169 PolarHBondContact NZ-OD2 3.38Å
143	L	87.3	Confident	82.8	Confident	7 Å²	7	71 Å²	71	4%	0.037	37%	0.37	C	S	.	.	H	α-helix	trans	-60.4	-39.7	172.5	-73.2	-179.8	0	0	0	112.8	A139 R140 W146 L166 I213 R216 V217	A139-L143 WeakPolarHBondContact O-CG 3.36Å; A139-L143 PolarHBondContact O-N 3.3Å; R140-L143 WeakPolarHBondContact O-CB 3.24Å; R140-L143 PolarHBondContact O-N 3.43Å; L143-W146 HydrophobicContact CD2-CE3 3.7Å; L143-W146 HydrophobicContact CD2-CH2 3.71Å; L143-W146 HydrophobicContact CD2-CZ3 3.17Å; L143-L166 HydrophobicContact CD2-CD2 3.96Å; L143-L166 HydrophobicContact CG-CD2 4.32Å; L143-I213 HydrophobicContact CD1-CB 4.31Å; L143-I213 HydrophobicContact CD1-CG1 4.06Å; L143-I213 HydrophobicContact CD1-CG2 4.04Å; L143-R216 HydrophobicContact CD1-CB 4.46Å; L143-V217 HydrophobicContact CD2-CG2 3.68Å
144	E	85.8	Confident	82.2	Confident	158 Å²	158	74 Å²	74	74%	0.738	39%	0.388	S	S	*	.	H	α-helix	trans	-73.6	-28.9	178.8	-72.3	173.9	-176.9	0	0	112.9	R140 A141 K142 W146	R140-E144 WeakPolarHBondContact O-CG 3.43Å; R140-E144 PolarHBondContact O-N 2.85Å; A141-E144 PolarHBondContact O-N 2.99Å; K142-E144 VanDerWaalsContact C-N 3.34Å; K142-E144 PolarHBondContact O-N 3.17Å; E144-W146 PolarHBondContact O-N 3.43Å
145	S	84.4	Confident	81.5	Confident	76 Å²	76	69.3 Å²	69.3	53%	0.531	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-17.6	177.8	76.7	0	0	0	0	113.9	A141 K142 K147	A141-S145 WeakPolarHBondContact O-CB 3.28Å; A141-S145 PolarHBondContact O-N 3.31Å; K142-S145 PolarHBondContact O-N 3.27Å; K142-S145 PolarHBondContact O-OG 2.97Å; S145-K147 PolarHBondContact O-N 3.05Å; S145-K147 VanDerWaalsContact O-N 3.15Å
146	W	85.8	Confident	81.1	Confident	37 Å²	37	69 Å²	69	14%	0.14	37%	0.369	C	S	.	.			trans	-72.6	105.2	-178.1	-70.9	-17.6	0	0	0	112	L143 E144 T163 L166 V217 R220	L143-W146 HydrophobicContact CD2-CE3 3.7Å; L143-W146 HydrophobicContact CD2-CH2 3.71Å; L143-W146 HydrophobicContact CD2-CZ3 3.17Å; E144-W146 PolarHBondContact O-N 3.43Å; W146-T163 HydrophobicContact CH2-CG2 3.87Å; W146-T163 HydrophobicContact CZ2-CG2 4.37Å; W146-L166 HydrophobicContact CH2-CD2 3.54Å; W146-L166 HydrophobicContact CZ2-CB 4.06Å; W146-L166 HydrophobicContact CZ2-CD2 3.49Å; W146-L166 VanDerWaalsContact CZ2-CD2 3.49Å; W146-L166 HydrophobicContact CZ2-CG 4.41Å; W146-L166 HydrophobicContact CZ3-CD2 4.44Å; W146-V217 HydrophobicContact CH2-CG1 4.48Å; W146-V217 HydrophobicContact CH2-CG2 4.05Å; W146-V217 HydrophobicContact CZ3-CG2 4.47Å; W146-R220 HydrophobicContact CZ3-CB 4.44Å; W146-R220 HydrophobicContact CZ3-CG 4.38Å
147	K	71.7	Confident	80.8	Confident	178 Å²	178	72.5 Å²	72.5	77%	0.774	39%	0.385	S	S	*	.			trans	-87.8	149.3	174.6	-62.4	-174.9	-180	-176.9	0	112.4	S145 G149	S145-K147 PolarHBondContact O-N 3.05Å; S145-K147 VanDerWaalsContact O-N 3.15Å; K147-G149 PolarHBondContact O-N 3.43Å
148	E	64.6	Low	80.6	Confident	166 Å²	166	77.1 Å²	77.1	78%	0.776	40%	0.395	S	S	*	.			trans	-78.4	101	166.7	-69.1	-174.5	169.2	0	0	109.4
149	G	63.7	Low	80.3	Confident	27 Å²	27	74.1 Å²	74.1	28%	0.278	38%	0.38	S	S	.	.			trans	-101.5	177.9	168.6	0	0	0	0	0	112.3	K147 K159	K147-G149 PolarHBondContact O-N 3.43Å; G149-K159 PolarHBondContact O-NZ 3.28Å
150	P	64.3	Low	80.2	Confident	90 Å²	90	74.4 Å²	74.4	58%	0.584	38%	0.382	S	S	*	.			trans	-57.3	150	-175.9	23.8	-33.8	0	0	0	113.2	T152 A155	P150-T152 PolarHBondContact O-N 3.39Å; P150-A155 WeakPolarHBondContact O-CB 3.41Å
151	Y	68.6	Low	80.1	Confident	69 Å²	69	72.7 Å²	72.7	27%	0.271	39%	0.385	S	S	.	.			trans	-96	60.5	-177.2	-73.5	-98.2	0	0	0	111.1	I156 T227 L231	Y151-I156 HydrophobicContact CD1-CD1 3.24Å; Y151-I156 HydrophobicContact CD1-CG1 4.02Å; Y151-I156 HydrophobicContact CE1-CD1 3.69Å; Y151-I156 HydrophobicContact CG-CD1 3.99Å; Y151-T227 HydrophobicContact CD1-CG2 3.78Å; Y151-T227 HydrophobicContact CE1-CG2 4.28Å; Y151-L231 WeakPolarHBondContact O-CD1 3.34Å
152	T	74.6	Confident	80.1	Confident	55 Å²	55	74 Å²	74	34%	0.337	38%	0.381	S	S	.	.			trans	-87.7	155.1	167	66.4	0	0	0	0	110.1	P150 D154 A155 I156	P150-T152 PolarHBondContact O-N 3.39Å; T152-D154 VanDerWaalsContact C-N 3.26Å; T152-D154 PolarHBondContact O-N 3.35Å; T152-A155 PolarHBondContact O-N 3.09Å; T152-A155 VanDerWaalsContact O-N 3.1Å; T152-A155 WeakPolarHBondContact OG1-CB 3.3Å; T152-A155 PolarHBondContact OG1-N 3.34Å; T152-I156 WeakPolarHBondContact O-CG1 3.05Å; T152-I156 PolarHBondContact O-N 3.07Å
153	V	76.6	Confident	80.2	Confident	51 Å²	51	70.9 Å²	70.9	31%	0.309	37%	0.368	S	S	.	.	H	α-helix	trans	-51.5	-48.3	178.1	176.5	0	0	0	0	110.6	I156 Q157 L231 Q232	V153-I156 PolarHBondContact O-N 3.2Å; V153-Q157 VanDerWaalsContact O-CB 3.32Å; V153-Q157 WeakPolarHBondContact O-CB 3.37Å; V153-Q157 PolarHBondContact O-N 3.31Å; V153-L231 HydrophobicContact CG2-CB 3.84Å; V153-Q232 HydrophobicContact CG1-CG 4.31Å
154	D	79.1	Confident	80.4	Confident	135 Å²	135	74.7 Å²	74.7	72%	0.722	38%	0.384	S	S	*	.	H	α-helix	trans	-66.3	-39.6	178.8	-65	-29.8	0	0	0	113	T152 K158	T152-D154 VanDerWaalsContact C-N 3.26Å; T152-D154 PolarHBondContact O-N 3.35Å; D154-K158 WeakPolarHBondContact O-CB 3.17Å; D154-K158 PolarHBondContact O-N 3.29Å
155	A	80.2	Confident	80.6	Confident	26 Å²	26	71.4 Å²	71.4	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-68.9	-38.3	179.1	0	0	0	0	0	112.1	P150 T152 K159	P150-A155 WeakPolarHBondContact O-CB 3.41Å; T152-A155 PolarHBondContact O-N 3.09Å; T152-A155 VanDerWaalsContact O-N 3.1Å; T152-A155 WeakPolarHBondContact OG1-CB 3.3Å; T152-A155 PolarHBondContact OG1-N 3.34Å; A155-K159 VanDerWaalsContact O-CG 3.32Å; A155-K159 WeakPolarHBondContact O-CG 3.38Å; A155-K159 PolarHBondContact O-N 3.49Å; A155-K159 VanDerWaalsContact O-N 3.1Å
156	I	84.7	Confident	81	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-70.9	-42.1	176.1	-63.8	-66.8	0	0	0	110.6	Y151 T152 V153 K158 K159 I160 L224 H228 L231	Y151-I156 HydrophobicContact CD1-CD1 3.24Å; Y151-I156 HydrophobicContact CD1-CG1 4.02Å; Y151-I156 HydrophobicContact CE1-CD1 3.69Å; Y151-I156 HydrophobicContact CG-CD1 3.99Å; T152-I156 WeakPolarHBondContact O-CG1 3.05Å; T152-I156 PolarHBondContact O-N 3.07Å; V153-I156 PolarHBondContact O-N 3.2Å; I156-K158 VanDerWaalsContact C-N 3.29Å; I156-K158 PolarHBondContact O-N 3.42Å; I156-K159 HydrophobicContact CD1-CD 4.18Å; I156-K159 PolarHBondContact O-N 2.91Å; I156-K159 VanDerWaalsContact O-N 3.13Å; I156-I160 HydrophobicContact CG2-CD1 4.06Å; I156-I160 HydrophobicContact CG2-CG1 4.4Å; I156-I160 WeakPolarHBondContact O-CG1 3.29Å; I156-I160 PolarHBondContact O-N 3.49Å; I156-L224 HydrophobicContact CD1-CD2 3.78Å; I156-L224 HydrophobicContact CG2-CB 4.32Å; I156-L224 HydrophobicContact CG2-CD2 4.27Å; I156-L224 WeakPolarHBondContact CG2-O 3.37Å; I156-H228 HydrophobicContact CG2-CB 3.85Å; I156-L231 HydrophobicContact CG1-CD1 4.27Å
157	Q	85.8	Confident	81.2	Confident	82 Å²	82	66.5 Å²	66.5	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-58.9	-40.5	174.9	-176.3	58.5	40.6	0	0	112.1	V153 I160 T161 H228	V153-Q157 VanDerWaalsContact O-CB 3.32Å; V153-Q157 WeakPolarHBondContact O-CB 3.37Å; V153-Q157 PolarHBondContact O-N 3.31Å; Q157-I160 PolarHBondContact O-N 2.95Å; Q157-T161 PolarHBondContact O-N 3.31Å; Q157-T161 VanDerWaalsContact O-N 3.12Å; Q157-T161 PolarHBondContact O-OG1 2.74Å; Q157-H228 PolarHBondContact OE1-CE1 3.15Å; Q157-H228 PolarHBondContact OE1-NE2 3.07Å
158	K	85.8	Confident	82.1	Confident	134 Å²	134	62.9 Å²	62.9	58%	0.583	33%	0.325	S	S	*	.	H	α-helix	trans	-62.4	-47.2	173.7	-174.5	179.6	175.9	-176.7	0	111.8	D154 I156 I160 T161 E162	D154-K158 WeakPolarHBondContact O-CB 3.17Å; D154-K158 PolarHBondContact O-N 3.29Å; I156-K158 VanDerWaalsContact C-N 3.29Å; I156-K158 PolarHBondContact O-N 3.42Å; K158-I160 PolarHBondContact O-N 3.45Å; K158-T161 WeakPolarHBondContact O-CB 3.48Å; K158-T161 PolarHBondContact O-N 3.49Å; K158-T161 VanDerWaalsContact O-N 3.15Å; K158-E162 VanDerWaalsContact CE-OE1 3.25Å; K158-E162 WeakPolarHBondContact CE-OE1 3.49Å; K158-E162 WeakPolarHBondContact O-CG 3.42Å; K158-E162 PolarHBondContact O-N 3Å
159	K	86.1	Confident	83.4	Confident	24 Å²	24	56 Å²	56	10%	0.104	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-40.3	177.4	-71.3	167.7	179.2	170.2	0	112.4	G149 A155 I156 T161 E162 T163 L224	G149-K159 PolarHBondContact O-NZ 3.28Å; A155-K159 VanDerWaalsContact O-CG 3.32Å; A155-K159 WeakPolarHBondContact O-CG 3.38Å; A155-K159 PolarHBondContact O-N 3.49Å; A155-K159 VanDerWaalsContact O-N 3.1Å; I156-K159 HydrophobicContact CD1-CD 4.18Å; I156-K159 PolarHBondContact O-N 2.91Å; I156-K159 VanDerWaalsContact O-N 3.13Å; K159-T161 VanDerWaalsContact C-N 3.28Å; K159-T161 PolarHBondContact O-N 3.17Å; K159-E162 PolarHBondContact O-N 3.25Å; K159-T163 PolarHBondContact O-N 3Å; K159-T163 PolarHBondContact O-OG1 3.35Å; K159-L224 HydrophobicContact CB-CD1 3.83Å; K159-L224 HydrophobicContact CB-CD2 4.35Å; K159-L224 HydrophobicContact CD-CD2 4.34Å
160	I	87.9	Confident	84.8	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-45.3	173.7	-70	167.9	0	0	0	110.1	I156 Q157 K158 E162 T163 K164 L224 E225 H228	I156-I160 HydrophobicContact CG2-CD1 4.06Å; I156-I160 HydrophobicContact CG2-CG1 4.4Å; I156-I160 WeakPolarHBondContact O-CG1 3.29Å; I156-I160 PolarHBondContact O-N 3.49Å; Q157-I160 PolarHBondContact O-N 2.95Å; K158-I160 PolarHBondContact O-N 3.45Å; I160-E162 PolarHBondContact O-N 3.49Å; I160-T163 PolarHBondContact O-N 2.94Å; I160-K164 HydrophobicContact CG2-CD 3.94Å; I160-K164 HydrophobicContact CG2-CG 4.43Å; I160-K164 WeakPolarHBondContact O-CB 3.43Å; I160-K164 WeakPolarHBondContact O-CG 3.44Å; I160-K164 PolarHBondContact O-N 3.28Å; I160-L224 HydrophobicContact CD1-CB 4.29Å; I160-L224 HydrophobicContact CG1-CB 3.57Å; I160-L224 HydrophobicContact CG1-CD1 4.48Å; I160-E225 HydrophobicContact CD1-CG 4.06Å; I160-E225 HydrophobicContact CG1-CG 4.39Å; I160-E225 HydrophobicContact CG2-CG 4.37Å; I160-H228 HydrophobicContact CD1-CB 3.9Å
161	T	89.4	Confident	86	Confident	82 Å²	82	58.1 Å²	58.1	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-43	179.9	-51	0	0	0	0	111.3	Q157 K158 K159 K164 Q165	Q157-T161 PolarHBondContact O-N 3.31Å; Q157-T161 VanDerWaalsContact O-N 3.12Å; Q157-T161 PolarHBondContact O-OG1 2.74Å; K158-T161 WeakPolarHBondContact O-CB 3.48Å; K158-T161 PolarHBondContact O-N 3.49Å; K158-T161 VanDerWaalsContact O-N 3.15Å; K159-T161 VanDerWaalsContact C-N 3.28Å; K159-T161 PolarHBondContact O-N 3.17Å; T161-K164 PolarHBondContact O-N 3.49Å; T161-Q165 PolarHBondContact O-N 3.4Å
162	E	88.6	Confident	87	Confident	85 Å²	85	60.4 Å²	60.4	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-42	176.1	-70.1	171.9	-173.1	0	0	112.6	K158 K159 I160 Q165 L166	K158-E162 VanDerWaalsContact CE-OE1 3.25Å; K158-E162 WeakPolarHBondContact CE-OE1 3.49Å; K158-E162 WeakPolarHBondContact O-CG 3.42Å; K158-E162 PolarHBondContact O-N 3Å; K159-E162 PolarHBondContact O-N 3.25Å; I160-E162 PolarHBondContact O-N 3.49Å; E162-Q165 PolarHBondContact O-N 3.19Å; E162-L166 PolarHBondContact O-N 3.03Å; E162-L166 VanDerWaalsContact O-N 3.16Å
163	T	89.9	Confident	87.9	Confident	1 Å²	1	60 Å²	60	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-42.3	176.7	-63.6	0	0	0	0	111.8	W146 K159 I160 Q165 L166 A167 V217 R220 E221	W146-T163 HydrophobicContact CH2-CG2 3.87Å; W146-T163 HydrophobicContact CZ2-CG2 4.37Å; K159-T163 PolarHBondContact O-N 3Å; K159-T163 PolarHBondContact O-OG1 3.35Å; I160-T163 PolarHBondContact O-N 2.94Å; T163-Q165 VanDerWaalsContact C-N 3.28Å; T163-Q165 PolarHBondContact O-N 3.4Å; T163-L166 PolarHBondContact O-N 3.29Å; T163-A167 PolarHBondContact O-N 3.4Å; T163-V217 HydrophobicContact CG2-CG1 3.96Å; T163-R220 HydrophobicContact CG2-CB 4.47Å; T163-E221 HydrophobicContact CG2-CB 3.9Å
164	K	90.4	Very high	88.7	Confident	86 Å²	86	60.4 Å²	60.4	37%	0.374	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-36.5	173.6	-80.7	179.9	176.5	173	0	112.7	I160 T161 A167 K168 E221 E225	I160-K164 HydrophobicContact CG2-CD 3.94Å; I160-K164 HydrophobicContact CG2-CG 4.43Å; I160-K164 WeakPolarHBondContact O-CB 3.43Å; I160-K164 WeakPolarHBondContact O-CG 3.44Å; I160-K164 PolarHBondContact O-N 3.28Å; T161-K164 PolarHBondContact O-N 3.49Å; K164-A167 PolarHBondContact O-N 3.25Å; K164-K168 PolarHBondContact O-N 2.78Å; K164-E221 WeakPolarHBondContact CE-OE1 3.32Å; K164-E221 HydrophobicContact CG-CG 4.4Å; K164-E221 WeakPolarHBondContact CG-OE1 3.45Å; K164-E225 WeakPolarHBondContact CE-OE1 3.43Å; K164-E225 IonicContact NZ-OE1 3.37Å; K164-E225 PolarHBondContact NZ-OE1 3.24Å
165	Q	91.7	Very high	89.3	Confident	89 Å²	89	58.2 Å²	58.2	42%	0.416	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-45.9	174.5	-175.4	58.1	51.8	0	0	111.3	T161 E162 T163 A167 K168 D169	T161-Q165 PolarHBondContact O-N 3.4Å; E162-Q165 PolarHBondContact O-N 3.19Å; T163-Q165 VanDerWaalsContact C-N 3.28Å; T163-Q165 PolarHBondContact O-N 3.4Å; Q165-A167 VanDerWaalsContact C-N 3.33Å; Q165-A167 PolarHBondContact O-N 3.45Å; Q165-K168 WeakPolarHBondContact O-CB 3.45Å; Q165-K168 PolarHBondContact O-N 3.34Å; Q165-K168 VanDerWaalsContact O-N 3.13Å; Q165-D169 PolarHBondContact NE2-OD1 2.88Å; Q165-D169 PolarHBondContact O-N 3.36Å
166	L	90.9	Very high	89.8	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-39.4	174.5	176.8	60.1	0	0	0	112	K142 L143 W146 E162 T163 K168 D169 L170 W173 V217	K142-L166 HydrophobicContact CB-CD1 4.34Å; K142-L166 HydrophobicContact CB-CD2 4.3Å; K142-L166 HydrophobicContact CD-CB 4.45Å; K142-L166 HydrophobicContact CD-CD1 3.96Å; K142-L166 HydrophobicContact CG-CD1 4.3Å; K142-L166 HydrophobicContact CG-CD2 4.18Å; L143-L166 HydrophobicContact CD2-CD2 3.96Å; L143-L166 HydrophobicContact CG-CD2 4.32Å; W146-L166 HydrophobicContact CH2-CD2 3.54Å; W146-L166 HydrophobicContact CZ2-CB 4.06Å; W146-L166 HydrophobicContact CZ2-CD2 3.49Å; W146-L166 VanDerWaalsContact CZ2-CD2 3.49Å; W146-L166 HydrophobicContact CZ2-CG 4.41Å; W146-L166 HydrophobicContact CZ3-CD2 4.44Å; E162-L166 PolarHBondContact O-N 3.03Å; E162-L166 VanDerWaalsContact O-N 3.16Å; T163-L166 PolarHBondContact O-N 3.29Å; L166-K168 PolarHBondContact O-N 2.99Å; L166-D169 PolarHBondContact O-N 3.13Å; L166-D169 VanDerWaalsContact O-N 3.14Å; L166-L170 HydrophobicContact CD1-CG 4.26Å; L166-L170 HydrophobicContact CG-CG 4.45Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 3.07Å; L166-W173 HydrophobicContact CD1-CZ3 4.25Å; L166-V217 HydrophobicContact CD2-CG2 3.64Å; L166-V217 HydrophobicContact CG-CG2 4.08Å
167	A	90.8	Very high	90.2	Very high	11 Å²	11	59 Å²	59	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-34.9	175.1	0	0	0	0	0	112.1	T163 K164 Q165 R171 V217	T163-A167 PolarHBondContact O-N 3.4Å; K164-A167 PolarHBondContact O-N 3.25Å; Q165-A167 VanDerWaalsContact C-N 3.33Å; Q165-A167 PolarHBondContact O-N 3.45Å; A167-R171 PolarHBondContact O-N 3.08Å; A167-V217 HydrophobicContact CB-CG1 3.85Å
168	K	91.6	Very high	90.5	Very high	102 Å²	102	58.2 Å²	58.2	44%	0.443	28%	0.276	S	S	.	.	H	α-helix	trans	-69.1	-43	172.6	-171.9	-177.2	177.1	-176.1	0	112	K164 Q165 L166 R171 Q172	K164-K168 PolarHBondContact O-N 2.78Å; Q165-K168 WeakPolarHBondContact O-CB 3.45Å; Q165-K168 PolarHBondContact O-N 3.34Å; Q165-K168 VanDerWaalsContact O-N 3.13Å; L166-K168 PolarHBondContact O-N 2.99Å; K168-R171 PolarHBondContact O-N 3.01Å; K168-Q172 PolarHBondContact O-N 3.41Å
169	D	91.4	Very high	90.9	Very high	21 Å²	21	55 Å²	55	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-44.2	177.5	-56.3	-21.2	0	0	0	110.7	K142 Q165 L166 R171 Q172 W173	K142-D169 IonicContact NZ-OD2 2.75Å; K142-D169 PolarHBondContact NZ-OD2 3.38Å; Q165-D169 PolarHBondContact NE2-OD1 2.88Å; Q165-D169 PolarHBondContact O-N 3.36Å; L166-D169 PolarHBondContact O-N 3.13Å; L166-D169 VanDerWaalsContact O-N 3.14Å; D169-R171 VanDerWaalsContact C-N 3.34Å; D169-R171 PolarHBondContact O-N 3.37Å; D169-Q172 WeakPolarHBondContact O-CB 3.44Å; D169-Q172 PolarHBondContact O-N 3.07Å; D169-W173 HydrophobicContact CB-CD2 4.48Å; D169-W173 HydrophobicContact CB-CE3 4.43Å; D169-W173 HydrophobicContact CB-CH2 3.91Å; D169-W173 HydrophobicContact CB-CZ2 3.96Å; D169-W173 HydrophobicContact CB-CZ3 4.14Å; D169-W173 PolarHBondContact O-N 3.26Å
170	L	92	Very high	91.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-42.4	176	-70.7	177.6	0	0	0	112.6	A139 L166 Q172 W173 Q174 W210 I213 V217	A139-L170 HydrophobicContact CB-CD2 3.78Å; L166-L170 HydrophobicContact CD1-CG 4.26Å; L166-L170 HydrophobicContact CG-CG 4.45Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 3.07Å; L170-Q172 PolarHBondContact O-N 3.28Å; L170-W173 HydrophobicContact CD2-CE3 4.14Å; L170-W173 HydrophobicContact CD2-CZ3 4.43Å; L170-W173 PolarHBondContact O-N 3.04Å; L170-Q174 PolarHBondContact O-N 2.81Å; L170-W210 HydrophobicContact CB-CH2 4.24Å; L170-W210 HydrophobicContact CB-CZ2 4.44Å; L170-W210 HydrophobicContact CD2-CH2 3.74Å; L170-W210 HydrophobicContact CD2-CZ2 4.47Å; L170-W210 HydrophobicContact CD2-CZ3 3.91Å; L170-W210 VanDerWaalsContact O-CH2 3.3Å; L170-W210 WeakPolarHBondContact O-CH2 3.5Å; L170-W210 VanDerWaalsContact O-CZ2 3.25Å; L170-W210 WeakPolarHBondContact O-CZ2 3.43Å; L170-I213 HydrophobicContact CD1-CG2 3.94Å; L170-I213 HydrophobicContact CD2-CG2 3.77Å; L170-V217 HydrophobicContact CD1-CB 4.24Å; L170-V217 HydrophobicContact CD1-CG2 3.83Å
171	R	90.1	Very high	91.5	Very high	162 Å²	162	54.9 Å²	54.9	61%	0.611	27%	0.268	S	S	*	.	H	α-helix	trans	-60.3	-33.1	175.5	-75.1	-173.2	-70.1	-106.7	-1.4	112.8	A167 K168 D169	A167-R171 PolarHBondContact O-N 3.08Å; K168-R171 PolarHBondContact O-N 3.01Å; D169-R171 VanDerWaalsContact C-N 3.34Å; D169-R171 PolarHBondContact O-N 3.37Å
172	Q	89.8	Confident	91.8	Very high	116 Å²	116	56 Å²	56	54%	0.542	27%	0.271	S	S	.	.	H	α-helix	trans	-74.7	-43.1	177.8	-66.7	179.6	-18.7	0	0	111.3	K168 D169 L170 Q174 T175	K168-Q172 PolarHBondContact O-N 3.41Å; D169-Q172 WeakPolarHBondContact O-CB 3.44Å; D169-Q172 PolarHBondContact O-N 3.07Å; L170-Q172 PolarHBondContact O-N 3.28Å; Q172-Q174 VanDerWaalsContact C-N 3.26Å; Q172-Q174 PolarHBondContact O-N 3.04Å; Q172-T175 PolarHBondContact O-OG1 3.47Å
173	W	93.7	Very high	92	Very high	47 Å²	47	53.8 Å²	53.8	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-74.5	-9.5	-179.5	-58.9	-26.9	0	0	0	114.6	V135 Q138 A139 L166 D169 L170 T175 N176 W210	V135-W173 HydrophobicContact CB-CB 3.93Å; V135-W173 HydrophobicContact CB-CD2 4.13Å; V135-W173 HydrophobicContact CB-CE3 4.33Å; V135-W173 HydrophobicContact CB-CG 3.97Å; V135-W173 HydrophobicContact CG1-CB 4.08Å; V135-W173 HydrophobicContact CG1-CD2 4.32Å; V135-W173 HydrophobicContact CG1-CG 3.89Å; V135-W173 HydrophobicContact CG2-CB 4.18Å; Q138-W173 HydrophobicContact CB-CH2 4.08Å; Q138-W173 HydrophobicContact CB-CZ3 4.38Å; A139-W173 HydrophobicContact CB-CE3 4.48Å; A139-W173 HydrophobicContact CB-CZ3 4Å; L166-W173 HydrophobicContact CD1-CZ3 4.25Å; D169-W173 HydrophobicContact CB-CD2 4.48Å; D169-W173 HydrophobicContact CB-CE3 4.43Å; D169-W173 HydrophobicContact CB-CH2 3.91Å; D169-W173 HydrophobicContact CB-CZ2 3.96Å; D169-W173 HydrophobicContact CB-CZ3 4.14Å; D169-W173 PolarHBondContact O-N 3.26Å; L170-W173 HydrophobicContact CD2-CE3 4.14Å; L170-W173 HydrophobicContact CD2-CZ3 4.43Å; L170-W173 PolarHBondContact O-N 3.04Å; W173-T175 PolarHBondContact O-N 2.99Å; W173-N176 WeakPolarHBondContact O-CB 3.48Å; W173-N176 PolarHBondContact O-N 3.44Å; W173-W210 HydrophobicContact CB-CH2 3.8Å; W173-W210 HydrophobicContact CB-CZ3 4.3Å
174	Q	92.3	Very high	92.2	Very high	60 Å²	60	53.7 Å²	53.7	28%	0.28	26%	0.261	S	S	.	.	H	α-helix	trans	-49.9	-39.9	172.6	-179.1	65.8	51.1	0	0	111.8	L170 Q172 N176 V177 D178 W210	L170-Q174 PolarHBondContact O-N 2.81Å; Q172-Q174 VanDerWaalsContact C-N 3.26Å; Q172-Q174 PolarHBondContact O-N 3.04Å; Q174-N176 VanDerWaalsContact C-N 3.27Å; Q174-N176 PolarHBondContact O-N 3.46Å; Q174-V177 PolarHBondContact O-N 3.29Å; Q174-V177 VanDerWaalsContact O-N 3.1Å; Q174-D178 WeakPolarHBondContact CG-OD2 3.49Å; Q174-D178 PolarHBondContact NE2-OD1 3.25Å; Q174-D178 PolarHBondContact O-N 3.02Å; Q174-W210 HydrophobicContact CB-CZ2 4.18Å
175	T	91.8	Very high	92.4	Very high	89 Å²	89	54.4 Å²	54.4	55%	0.546	27%	0.269	S	S	.	.	H	α-helix	trans	-56	-38.7	179.3	-43.9	0	0	0	0	112.6	Q172 W173 D178 V179	Q172-T175 PolarHBondContact O-OG1 3.47Å; W173-T175 PolarHBondContact O-N 2.99Å; T175-D178 PolarHBondContact O-N 2.99Å; T175-V179 HydrophobicContact CG2-CG2 4.47Å; T175-V179 VanDerWaalsContact O-CG2 3.3Å; T175-V179 WeakPolarHBondContact O-CG2 3.46Å; T175-V179 PolarHBondContact O-N 3.35Å
176	N	91.5	Very high	92.5	Very high	42 Å²	42	53.2 Å²	53.2	23%	0.225	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-38.9	179.9	-62.5	76	0	0	0	111.7	V135 W173 Q174 A180	V135-N176 HydrophobicContact CG1-CB 4.41Å; V135-N176 HydrophobicContact CG2-CB 4.1Å; W173-N176 WeakPolarHBondContact O-CB 3.48Å; W173-N176 PolarHBondContact O-N 3.44Å; Q174-N176 VanDerWaalsContact C-N 3.27Å; Q174-N176 PolarHBondContact O-N 3.46Å; N176-A180 PolarHBondContact O-N 3.33Å
177	V	92.6	Very high	92.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-40	176.3	178.1	0	0	0	0	110.8	A132 Q174 A180 N181 I206 W210	A132-V177 HydrophobicContact CB-CG2 4.34Å; Q174-V177 PolarHBondContact O-N 3.29Å; Q174-V177 VanDerWaalsContact O-N 3.1Å; V177-A180 PolarHBondContact O-N 2.98Å; V177-N181 WeakPolarHBondContact O-CB 3.47Å; V177-N181 VanDerWaalsContact O-CG 3.25Å; V177-N181 PolarHBondContact O-N 2.83Å; V177-N181 PolarHBondContact O-ND2 3.08Å; V177-I206 HydrophobicContact CG1-CG2 4.09Å; V177-I206 HydrophobicContact CG2-CG2 4.49Å; V177-W210 HydrophobicContact CG1-CG 4.41Å; V177-W210 HydrophobicContact CG2-CD2 3.81Å; V177-W210 HydrophobicContact CG2-CE3 3.7Å; V177-W210 HydrophobicContact CG2-CG 4.22Å; V177-W210 HydrophobicContact CG2-CZ3 4.19Å
178	D	93.1	Very high	92.8	Very high	66 Å²	66	54.6 Å²	54.6	35%	0.353	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-45.5	177.8	-66.4	-17.2	0	0	0	111.7	Q174 T175 A180 N181 D182	Q174-D178 WeakPolarHBondContact CG-OD2 3.49Å; Q174-D178 PolarHBondContact NE2-OD1 3.25Å; Q174-D178 PolarHBondContact O-N 3.02Å; T175-D178 PolarHBondContact O-N 2.99Å; D178-A180 PolarHBondContact O-N 3.2Å; D178-N181 WeakPolarHBondContact O-CB 3.33Å; D178-N181 PolarHBondContact O-N 3.32Å; D178-D182 PolarHBondContact O-N 2.79Å
179	V	93.4	Very high	92.8	Very high	65 Å²	65	57.1 Å²	57.1	39%	0.394	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-43.1	177.1	172	0	0	0	0	111.6	A128 T175 N181 D182 L183	A128-V179 HydrophobicContact CB-CG1 4.11Å; T175-V179 HydrophobicContact CG2-CG2 4.47Å; T175-V179 VanDerWaalsContact O-CG2 3.3Å; T175-V179 WeakPolarHBondContact O-CG2 3.46Å; T175-V179 PolarHBondContact O-N 3.35Å; V179-N181 VanDerWaalsContact C-N 3.32Å; V179-N181 PolarHBondContact O-N 3.03Å; V179-D182 PolarHBondContact O-N 3.31Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 WeakPolarHBondContact O-CG 3.48Å; V179-L183 PolarHBondContact O-N 2.89Å; V179-L183 VanDerWaalsContact O-N 3.08Å
180	A	92.9	Very high	92.9	Very high	2 Å²	2	59.3 Å²	59.3	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-40.1	176.1	0	0	0	0	0	112	A128 A132 N176 V177 D178 A184	A128-A180 HydrophobicContact CB-CB 4.21Å; A132-A180 HydrophobicContact CB-CB 3.9Å; N176-A180 PolarHBondContact O-N 3.33Å; V177-A180 PolarHBondContact O-N 2.98Å; D178-A180 PolarHBondContact O-N 3.2Å; A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.48Å
181	N	94.2	Very high	93	Very high	26 Å²	26	59.7 Å²	59.7	14%	0.139	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-44.4	175.8	-75.1	-32.3	0	0	0	112.2	V177 D178 V179 L183 A184 L185 T203 N207	V177-N181 WeakPolarHBondContact O-CB 3.47Å; V177-N181 VanDerWaalsContact O-CG 3.25Å; V177-N181 PolarHBondContact O-N 2.83Å; V177-N181 PolarHBondContact O-ND2 3.08Å; D178-N181 WeakPolarHBondContact O-CB 3.33Å; D178-N181 PolarHBondContact O-N 3.32Å; V179-N181 VanDerWaalsContact C-N 3.32Å; V179-N181 PolarHBondContact O-N 3.03Å; N181-L183 PolarHBondContact O-N 2.88Å; N181-A184 WeakPolarHBondContact O-CB 3.43Å; N181-A184 PolarHBondContact O-N 3.27Å; N181-L185 WeakPolarHBondContact O-CG 3.39Å; N181-L185 PolarHBondContact O-N 3.31Å; N181-T203 WeakPolarHBondContact OD1-CG2 3.32Å; N181-N207 PolarHBondContact ND2-OD1 3.15Å; N181-N207 PolarHBondContact OD1-ND2 3.45Å; N181-N207 PolarHBondContact OD1-OD1 2.99Å
182	D	94.6	Very high	93	Very high	107 Å²	107	56.3 Å²	56.3	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-62.8	-41.7	179.9	-76.4	-17.6	0	0	0	111.8	D178 V179 L185 K186	D178-D182 PolarHBondContact O-N 2.79Å; V179-D182 PolarHBondContact O-N 3.31Å; D182-L185 PolarHBondContact O-N 3.05Å; D182-K186 PolarHBondContact O-N 3.44Å
183	L	94	Very high	92.9	Very high	37 Å²	37	53.6 Å²	53.6	19%	0.194	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-37.3	174.7	-70.5	172.8	0	0	0	111.9	Q124 W125 A128 V179 N181 L185 K186 L187	Q124-L183 HydrophobicContact CB-CD1 4.4Å; W125-L183 HydrophobicContact CB-CB 4.09Å; A128-L183 HydrophobicContact CB-CD1 3.59Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 WeakPolarHBondContact O-CG 3.48Å; V179-L183 PolarHBondContact O-N 2.89Å; V179-L183 VanDerWaalsContact O-N 3.08Å; N181-L183 PolarHBondContact O-N 2.88Å; L183-L185 VanDerWaalsContact C-N 3.35Å; L183-K186 WeakPolarHBondContact O-CB 3.2Å; L183-K186 PolarHBondContact O-N 2.86Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 2.91Å
184	A	93.6	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-44	173	0	0	0	0	0	111.6	A180 N181 K186 L187 L188 V199 T203	A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.48Å; N181-A184 WeakPolarHBondContact O-CB 3.43Å; N181-A184 PolarHBondContact O-N 3.27Å; A184-K186 VanDerWaalsContact C-N 3.34Å; A184-L187 WeakPolarHBondContact O-CB 3.4Å; A184-L187 PolarHBondContact O-N 2.81Å; A184-L188 WeakPolarHBondContact O-CD1 3.32Å; A184-L188 VanDerWaalsContact O-CG 3.27Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 2.94Å; A184-V199 HydrophobicContact CB-CG1 3.77Å; A184-T203 HydrophobicContact CB-CG2 3.84Å; A184-T203 WeakPolarHBondContact CB-OG1 3.38Å
185	L	94.3	Very high	92.9	Very high	101 Å²	101	51.7 Å²	51.7	53%	0.529	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-39.1	177.3	-74	172.2	0	0	0	111.9	N181 D182 L183 L188 R189	N181-L185 WeakPolarHBondContact O-CG 3.39Å; N181-L185 PolarHBondContact O-N 3.31Å; D182-L185 PolarHBondContact O-N 3.05Å; L183-L185 VanDerWaalsContact C-N 3.35Å; L185-L188 PolarHBondContact O-N 3.26Å; L185-R189 WeakPolarHBondContact O-CB 3.39Å; L185-R189 PolarHBondContact O-N 3.41Å
186	K	93.9	Very high	93	Very high	63 Å²	63	48.9 Å²	48.9	27%	0.274	27%	0.265	S	S	.	.	H	α-helix	trans	-57.4	-50.3	172.4	-173.1	-170.4	177.9	-166.3	0	110.7	D121 D182 L183 A184 L188 R189 D190	D121-K186 IonicContact OD1-NZ 3.93Å; D121-K186 PolarHBondContact OD1-NZ 2.83Å; D121-K186 VanDerWaalsContact OD2-CE 3.24Å; D121-K186 WeakPolarHBondContact OD2-CE 3.34Å; D121-K186 IonicContact OD2-NZ 3.09Å; D121-K186 PolarHBondContact OD2-NZ 3.35Å; D182-K186 PolarHBondContact O-N 3.44Å; L183-K186 WeakPolarHBondContact O-CB 3.2Å; L183-K186 PolarHBondContact O-N 2.86Å; A184-K186 VanDerWaalsContact C-N 3.34Å; K186-L188 PolarHBondContact O-N 3.29Å; K186-R189 PolarHBondContact O-N 3.5Å; K186-D190 VanDerWaalsContact CG-OD2 3.24Å; K186-D190 WeakPolarHBondContact CG-OD2 3.4Å; K186-D190 WeakPolarHBondContact O-CB 3.24Å; K186-D190 PolarHBondContact O-N 3.18Å
187	L	94.4	Very high	93	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-44.4	178.5	-72.6	179.2	0	0	0	112.9	V40 D121 W125 L183 A184 R189 Y191 V199	V40-L187 HydrophobicContact CG1-CB 3.99Å; V40-L187 HydrophobicContact CG1-CD1 4.39Å; V40-L187 HydrophobicContact CG1-CD2 3.9Å; V40-L187 HydrophobicContact CG1-CG 4.33Å; D121-L187 HydrophobicContact CB-CD2 3.52Å; W125-L187 HydrophobicContact CB-CD1 3.46Å; W125-L187 VanDerWaalsContact CB-CD1 3.46Å; W125-L187 HydrophobicContact CB-CG 4.37Å; W125-L187 HydrophobicContact CD2-CD1 3.77Å; W125-L187 HydrophobicContact CE3-CD1 3.93Å; W125-L187 HydrophobicContact CG-CD1 3.56Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 2.91Å; A184-L187 WeakPolarHBondContact O-CB 3.4Å; A184-L187 PolarHBondContact O-N 2.81Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3.02Å; L187-Y191 HydrophobicContact CD2-CD2 3.74Å; L187-Y191 HydrophobicContact CD2-CE2 3.68Å; L187-Y191 PolarHBondContact O-N 3.25Å; L187-V199 HydrophobicContact CB-CG1 4.24Å; L187-V199 HydrophobicContact CB-CG2 4.42Å; L187-V199 HydrophobicContact CD1-CG1 4.23Å; L187-V199 HydrophobicContact CD1-CG2 3.86Å
188	L	93	Very high	93	Very high	40 Å²	40	58.7 Å²	58.7	21%	0.209	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-34.3	180	-73.3	163.2	0	0	0	112.6	A184 L185 K186 T196 V199 H200	A184-L188 WeakPolarHBondContact O-CD1 3.32Å; A184-L188 VanDerWaalsContact O-CG 3.27Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 2.94Å; L185-L188 PolarHBondContact O-N 3.26Å; K186-L188 PolarHBondContact O-N 3.29Å; L188-T196 HydrophobicContact CD2-CG2 4.34Å; L188-V199 HydrophobicContact CD1-CG1 4.45Å; L188-V199 HydrophobicContact CG-CG1 4.15Å; L188-H200 HydrophobicContact CD2-CB 4.2Å
189	R	93	Very high	93	Very high	155 Å²	155	55.6 Å²	55.6	59%	0.585	28%	0.283	S	S	*	.	H	α-helix	trans	-82.7	-50.9	-178.4	-175.9	-172.7	63.8	-118.7	-9	112.4	L185 K186 L187 Y191	L185-R189 WeakPolarHBondContact O-CB 3.39Å; L185-R189 PolarHBondContact O-N 3.41Å; K186-R189 PolarHBondContact O-N 3.5Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 3.02Å; R189-Y191 VanDerWaalsContact C-N 3.34Å; R189-Y191 PolarHBondContact O-N 2.91Å
190	D	92.7	Very high	93	Very high	67 Å²	67	57.5 Å²	57.5	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-80.2	-19.6	-167.8	-60	-12.7	0	0	0	111.9	K186	K186-D190 VanDerWaalsContact CG-OD2 3.24Å; K186-D190 WeakPolarHBondContact CG-OD2 3.4Å; K186-D190 WeakPolarHBondContact O-CB 3.24Å; K186-D190 PolarHBondContact O-N 3.18Å
191	Y	94.2	Very high	93	Very high	7 Å²	7	63.5 Å²	63.5	3%	0.027	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	30.4	-179.1	-51	-65.7	0	0	0	113.4	V40 Q114 E117 M118 D121 L187 R189 A193 D194	V40-Y191 HydrophobicContact CG1-CD2 4.18Å; Q114-Y191 HydrophobicContact CG-CD1 4.15Å; Q114-Y191 HydrophobicContact CG-CE1 4.14Å; E117-Y191 WeakPolarHBondContact CB-OH 3.23Å; E117-Y191 PolarHBondContact O-OH 3.29Å; M118-Y191 VanDerWaalsContact CA-CZ 3.42Å; M118-Y191 HydrophobicContact CB-CD1 3.83Å; M118-Y191 HydrophobicContact CB-CD2 4.42Å; M118-Y191 HydrophobicContact CB-CE1 3.59Å; M118-Y191 HydrophobicContact CB-CE2 4.24Å; M118-Y191 HydrophobicContact CB-CG 4.25Å; M118-Y191 HydrophobicContact CE-CD1 3.68Å; M118-Y191 HydrophobicContact CE-CE1 4.46Å; M118-Y191 HydrophobicContact CE-CG 3.98Å; M118-Y191 HydrophobicContact CG-CD1 3.9Å; M118-Y191 HydrophobicContact CG-CD2 3.95Å; M118-Y191 HydrophobicContact CG-CE1 4.11Å; M118-Y191 HydrophobicContact CG-CE2 4.19Å; M118-Y191 HydrophobicContact CG-CG 3.83Å; M118-Y191 PolarHBondContact N-OH 3.21Å; D121-Y191 HydrophobicContact CB-CE2 3.99Å; D121-Y191 WeakPolarHBondContact OD2-CE2 3.5Å; D121-Y191 PolarHBondContact OD2-OH 3.38Å; L187-Y191 HydrophobicContact CD2-CD2 3.74Å; L187-Y191 HydrophobicContact CD2-CE2 3.68Å; L187-Y191 PolarHBondContact O-N 3.25Å; R189-Y191 VanDerWaalsContact C-N 3.34Å; R189-Y191 PolarHBondContact O-N 2.91Å; Y191-A193 PolarHBondContact O-N 3.11Å; Y191-D194 PolarHBondContact O-N 3.04Å
192	S	89.8	Confident	92.9	Very high	92 Å²	92	63.7 Å²	63.7	64%	0.643	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.1	-176.3	69.9	0	0	0	0	115	D194	S192-D194 VanDerWaalsContact C-N 3.3Å
193	A	87.7	Confident	92.8	Very high	59 Å²	59	59.4 Å²	59.4	49%	0.488	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-16.1	174.9	0	0	0	0	0	113.2	Y191	Y191-A193 PolarHBondContact O-N 3.11Å
194	D	93.1	Very high	92.8	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.059	31%	0.307	C	S	.	.	S	Bend	trans	-102.6	173.6	178.4	-77.1	-74.2	0	0	0	111.4	R37 V38 V40 R111 M118 Y191 S192 T196	R37-D194 VanDerWaalsContact CA-OD1 3.25Å; R37-D194 WeakPolarHBondContact CA-OD1 3.34Å; V38-D194 HydrophobicContact CG2-CB 4.47Å; V38-D194 PolarHBondContact N-OD1 3.38Å; V38-D194 WeakPolarHBondContact O-CB 3.3Å; V40-D194 HydrophobicContact CG2-CB 3.61Å; R111-D194 IonicContact CZ-OD1 3.55Å; R111-D194 IonicContact CZ-OD2 3.81Å; R111-D194 IonicContact NH1-OD1 3.76Å; R111-D194 IonicContact NH1-OD2 3.44Å; R111-D194 PolarHBondContact NH1-OD2 3.3Å; R111-D194 VanDerWaalsContact NH2-CG 3.33Å; R111-D194 IonicContact NH2-OD1 2.68Å; R111-D194 PolarHBondContact NH2-OD1 2.83Å; R111-D194 IonicContact NH2-OD2 3.57Å; R111-D194 PolarHBondContact NH2-OD2 3.29Å; R111-D194 VanDerWaalsContact NH2-OD2 3.14Å; M118-D194 HydrophobicContact CE-CB 4.04Å; M118-D194 WeakPolarHBondContact CE-OD2 3.39Å; Y191-D194 PolarHBondContact O-N 3.04Å; S192-D194 VanDerWaalsContact C-N 3.3Å; D194-T196 PolarHBondContact O-N 3.5Å
195	D	92.6	Very high	92.7	Very high	55 Å²	55	66.9 Å²	66.9	29%	0.294	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-79.9	107.6	-178.7	-173.3	-4.4	0	0	0	111.4	V38 M39 V40 R197	V38-D195 PolarHBondContact O-N 2.99Å; M39-D195 CarbonylContact C-O 3.58Å; M39-D195 WeakPolarHBondContact CA-O 3.44Å; V40-D195 PolarHBondContact N-O 3.31Å; D195-R197 WeakPolarHBondContact OD1-CB 3.46Å; D195-R197 WeakPolarHBondContact OD1-CD 3.44Å; D195-R197 WeakPolarHBondContact OD1-CG 3.34Å; D195-R197 PolarHBondContact OD1-N 3.14Å; D195-R197 VanDerWaalsContact OD1-N 3.09Å; D195-R197 IonicContact OD1-NE 2.73Å
196	T	94.4	Very high	92.7	Very high	31 Å²	31	62.3 Å²	62.3	19%	0.19	31%	0.308	C	S	.	.			trans	-98.8	6.3	-175.9	57.6	0	0	0	0	114.8	V40 L188 D194 K198 V199 H200	V40-T196 HydrophobicContact CB-CG2 4.15Å; V40-T196 HydrophobicContact CG2-CG2 3.79Å; L188-T196 HydrophobicContact CD2-CG2 4.34Å; D194-T196 PolarHBondContact O-N 3.5Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.49Å; T196-V199 PolarHBondContact O-N 2.88Å; T196-H200 PolarHBondContact O-N 3.29Å
197	R	92.4	Very high	92.7	Very high	191 Å²	191	61 Å²	61	72%	0.721	30%	0.304	S	S	*	.	H	α-helix	trans	-58.7	-38.1	-172.9	-71.6	168.8	179.8	177.8	1.2	114.2	D195 H200 M201	D195-R197 WeakPolarHBondContact OD1-CB 3.46Å; D195-R197 WeakPolarHBondContact OD1-CD 3.44Å; D195-R197 WeakPolarHBondContact OD1-CG 3.34Å; D195-R197 PolarHBondContact OD1-N 3.14Å; D195-R197 VanDerWaalsContact OD1-N 3.09Å; D195-R197 IonicContact OD1-NE 2.73Å; R197-H200 PolarHBondContact O-N 3.35Å; R197-M201 WeakPolarHBondContact O-CB 3.36Å; R197-M201 PolarHBondContact O-N 3.43Å
198	K	92.3	Very high	92.6	Very high	57 Å²	57	63 Å²	63	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-46.4	-179.2	-173.8	179.8	-176.4	-175.3	0	111.7	M39 G41 D42 T196 M201 I202	M39-K198 HydrophobicContact CG-CB 4.12Å; M39-K198 HydrophobicContact CG-CD 4.39Å; M39-K198 HydrophobicContact SD-CB 3.84Å; M39-K198 HydrophobicContact SD-CD 3.83Å; M39-K198 HydrophobicContact SD-CG 4.38Å; G41-K198 PolarHBondContact O-NZ 2.86Å; D42-K198 HydrophobicContact CB-CD 4.42Å; D42-K198 IonicContact OD2-NZ 3.53Å; D42-K198 PolarHBondContact OD2-NZ 3.03Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3.49Å; K198-M201 PolarHBondContact O-N 2.94Å; K198-I202 HydrophobicContact CG-CD1 4.05Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 2.69Å; K198-I202 VanDerWaalsContact O-N 3.16Å
199	V	93.3	Very high	92.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-47	177.2	178.4	0	0	0	0	110.7	V40 W125 A184 L187 L188 T196 M201 T203	V40-V199 HydrophobicContact CB-CG2 4.49Å; V40-V199 HydrophobicContact CG1-CG2 4.25Å; V40-V199 WeakPolarHBondContact O-CG2 3.35Å; W125-V199 HydrophobicContact CD2-CG1 4.41Å; W125-V199 HydrophobicContact CE3-CG2 4.22Å; W125-V199 HydrophobicContact CH2-CB 4.29Å; W125-V199 HydrophobicContact CH2-CG1 4.49Å; W125-V199 HydrophobicContact CH2-CG2 4.07Å; W125-V199 HydrophobicContact CZ2-CB 4.24Å; W125-V199 HydrophobicContact CZ2-CG1 3.98Å; W125-V199 HydrophobicContact CZ2-CG2 4.37Å; W125-V199 HydrophobicContact CZ3-CG2 3.99Å; A184-V199 HydrophobicContact CB-CG1 3.77Å; L187-V199 HydrophobicContact CB-CG1 4.24Å; L187-V199 HydrophobicContact CB-CG2 4.42Å; L187-V199 HydrophobicContact CD1-CG1 4.23Å; L187-V199 HydrophobicContact CD1-CG2 3.86Å; L188-V199 HydrophobicContact CD1-CG1 4.45Å; L188-V199 HydrophobicContact CG-CG1 4.15Å; T196-V199 PolarHBondContact O-N 2.88Å; V199-M201 PolarHBondContact O-N 2.92Å; V199-T203 VanDerWaalsContact O-CB 3.32Å; V199-T203 WeakPolarHBondContact O-CB 3.36Å; V199-T203 PolarHBondContact O-N 3.36Å; V199-T203 VanDerWaalsContact O-N 3.11Å; V199-T203 PolarHBondContact O-OG1 2.81Å
200	H	92	Very high	92.7	Very high	105 Å²	105	55 Å²	55	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-47.9	179	-172.4	-68.6	0	0	0	112.4	L188 T196 R197 T203 E204	L188-H200 HydrophobicContact CD2-CB 4.2Å; T196-H200 PolarHBondContact O-N 3.29Å; R197-H200 PolarHBondContact O-N 3.35Å; H200-T203 PolarHBondContact O-N 2.76Å; H200-E204 PolarHBondContact O-N 2.97Å; H200-E204 VanDerWaalsContact O-N 3.09Å
201	M	93.4	Very high	92.7	Very high	129 Å²	129	59.3 Å²	59.3	64%	0.635	30%	0.302	S	S	*	.	H	α-helix	trans	-62.9	-45.5	-177.4	-176.4	-176.7	70	0	0	112.4	R197 K198 V199 N205	R197-M201 WeakPolarHBondContact O-CB 3.36Å; R197-M201 PolarHBondContact O-N 3.43Å; K198-M201 PolarHBondContact O-N 2.94Å; V199-M201 PolarHBondContact O-N 2.92Å; M201-N205 PolarHBondContact O-N 3.23Å
202	I	92.8	Very high	92.7	Very high	30 Å²	30	62.1 Å²	62.1	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-42.2	-178.7	-73.3	171.7	0	0	0	110.7	W125 K129 K198 N205 I206	W125-I202 HydrophobicContact CH2-CB 4.02Å; W125-I202 HydrophobicContact CH2-CD1 3.84Å; W125-I202 HydrophobicContact CH2-CG1 4.5Å; W125-I202 HydrophobicContact CH2-CG2 4Å; W125-I202 HydrophobicContact CZ2-CB 3.96Å; W125-I202 HydrophobicContact CZ2-CG2 3.75Å; K129-I202 HydrophobicContact CD-CG2 3.95Å; K129-I202 HydrophobicContact CG-CG2 3.68Å; K198-I202 HydrophobicContact CG-CD1 4.05Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 2.69Å; K198-I202 VanDerWaalsContact O-N 3.16Å; I202-N205 PolarHBondContact O-N 3.38Å; I202-I206 HydrophobicContact CG2-CD1 4.07Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.99Å; I202-I206 VanDerWaalsContact O-N 3.1Å
203	T	92.6	Very high	92.9	Very high	16 Å²	16	58 Å²	58	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-44.3	179.7	-54.4	0	0	0	0	111.7	N181 A184 V199 H200 N205 I206 N207	N181-T203 WeakPolarHBondContact OD1-CG2 3.32Å; A184-T203 HydrophobicContact CB-CG2 3.84Å; A184-T203 WeakPolarHBondContact CB-OG1 3.38Å; V199-T203 VanDerWaalsContact O-CB 3.32Å; V199-T203 WeakPolarHBondContact O-CB 3.36Å; V199-T203 PolarHBondContact O-N 3.36Å; V199-T203 VanDerWaalsContact O-N 3.11Å; V199-T203 PolarHBondContact O-OG1 2.81Å; H200-T203 PolarHBondContact O-N 2.76Å; T203-N205 VanDerWaalsContact C-N 3.34Å; T203-N205 PolarHBondContact O-N 3.46Å; T203-I206 PolarHBondContact O-N 3.2Å; T203-N207 PolarHBondContact O-N 3.06Å; T203-N207 PolarHBondContact O-ND2 2.95Å
204	E	92.8	Very high	93.1	Very high	96 Å²	96	58.4 Å²	58.4	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-40.2	174	-86.3	-63.3	139.1	0	0	112.8	H200 N207 A208	H200-E204 PolarHBondContact O-N 2.97Å; H200-E204 VanDerWaalsContact O-N 3.09Å; E204-N207 PolarHBondContact O-N 3.45Å; E204-A208 WeakPolarHBondContact O-CB 3.39Å; E204-A208 PolarHBondContact O-N 3.39Å
205	N	93.1	Very high	93	Very high	99 Å²	99	63.9 Å²	63.9	53%	0.529	31%	0.308	S	S	.	.	H	α-helix	trans	-65.9	-39.9	179.7	-173	44.8	0	0	0	112.8	M201 I202 T203 S209	M201-N205 PolarHBondContact O-N 3.23Å; I202-N205 PolarHBondContact O-N 3.38Å; T203-N205 VanDerWaalsContact C-N 3.34Å; T203-N205 PolarHBondContact O-N 3.46Å; N205-S209 WeakPolarHBondContact O-CB 3.45Å; N205-S209 PolarHBondContact O-N 3.42Å; N205-S209 PolarHBondContact O-OG 2.91Å
206	I	92.4	Very high	93	Very high	4 Å²	4	67.7 Å²	67.7	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-48.7	173.6	-69.6	170.8	0	0	0	109.7	K129 A132 E133 L136 V177 I202 T203 A208 S209 W210	K129-I206 HydrophobicContact CB-CD1 4.46Å; K129-I206 HydrophobicContact CG-CD1 3.67Å; A132-I206 HydrophobicContact CB-CD1 4.46Å; A132-I206 HydrophobicContact CB-CG2 4.1Å; E133-I206 HydrophobicContact CG-CD1 4.29Å; E133-I206 HydrophobicContact CG-CG1 4.3Å; L136-I206 HydrophobicContact CD1-CB 4.28Å; L136-I206 HydrophobicContact CD1-CG1 4.39Å; L136-I206 HydrophobicContact CD1-CG2 3.85Å; V177-I206 HydrophobicContact CG1-CG2 4.09Å; V177-I206 HydrophobicContact CG2-CG2 4.49Å; I202-I206 HydrophobicContact CG2-CD1 4.07Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.99Å; I202-I206 VanDerWaalsContact O-N 3.1Å; T203-I206 PolarHBondContact O-N 3.2Å; I206-A208 PolarHBondContact O-N 2.98Å; I206-S209 WeakPolarHBondContact O-CB 3.45Å; I206-S209 PolarHBondContact O-N 3.03Å; I206-W210 WeakPolarHBondContact O-CB 3.46Å; I206-W210 PolarHBondContact O-N 2.94Å
207	N	94.3	Very high	92.9	Very high	36 Å²	36	66.3 Å²	66.3	19%	0.193	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-37.1	-179.6	-73.6	-35	0	0	0	113.7	N181 T203 E204 R211	N181-N207 PolarHBondContact ND2-OD1 3.15Å; N181-N207 PolarHBondContact OD1-ND2 3.45Å; N181-N207 PolarHBondContact OD1-OD1 2.99Å; T203-N207 PolarHBondContact O-N 3.06Å; T203-N207 PolarHBondContact O-ND2 2.95Å; E204-N207 PolarHBondContact O-N 3.45Å; N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-N 2.95Å; N207-R211 VanDerWaalsContact O-N 3.11Å; N207-R211 PolarHBondContact O-NE 3.21Å
208	A	93.2	Very high	92.8	Very high	44 Å²	44	60.7 Å²	60.7	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-43.7	174.3	0	0	0	0	0	111.5	E204 I206 S212	E204-A208 WeakPolarHBondContact O-CB 3.39Å; E204-A208 PolarHBondContact O-N 3.39Å; I206-A208 PolarHBondContact O-N 2.98Å; A208-S212 WeakPolarHBondContact O-CB 3.46Å; A208-S212 PolarHBondContact O-N 3.43Å; A208-S212 VanDerWaalsContact O-N 3.1Å
209	S	93.1	Very high	92.7	Very high	14 Å²	14	63 Å²	63	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45.5	176.2	-65.6	0	0	0	0	112	R140 N205 I206 S212 I213	R140-S209 PolarHBondContact NH2-OG 3.28Å; N205-S209 WeakPolarHBondContact O-CB 3.45Å; N205-S209 PolarHBondContact O-N 3.42Å; N205-S209 PolarHBondContact O-OG 2.91Å; I206-S209 WeakPolarHBondContact O-CB 3.45Å; I206-S209 PolarHBondContact O-N 3.03Å; S209-S212 PolarHBondContact O-N 3.48Å; S209-I213 WeakPolarHBondContact O-CG1 3.5Å; S209-I213 PolarHBondContact O-N 3.28Å; S209-I213 VanDerWaalsContact O-N 3.13Å
210	W	94.8	Very high	92.5	Very high	13 Å²	13	66 Å²	66	5%	0.049	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-48.2	179.6	-173	-108.5	0	0	0	112.1	V135 L136 L170 W173 Q174 V177 I206 S212 I213 H214	V135-W210 HydrophobicContact CG2-CZ3 4.38Å; L136-W210 HydrophobicContact CD2-CB 4.03Å; L136-W210 HydrophobicContact CD2-CD2 4.45Å; L136-W210 HydrophobicContact CD2-CE3 3.62Å; L136-W210 HydrophobicContact CD2-CZ3 4.49Å; L136-W210 HydrophobicContact CG-CE3 4.25Å; L170-W210 HydrophobicContact CB-CH2 4.24Å; L170-W210 HydrophobicContact CB-CZ2 4.44Å; L170-W210 HydrophobicContact CD2-CH2 3.74Å; L170-W210 HydrophobicContact CD2-CZ2 4.47Å; L170-W210 HydrophobicContact CD2-CZ3 3.91Å; L170-W210 VanDerWaalsContact O-CH2 3.3Å; L170-W210 WeakPolarHBondContact O-CH2 3.5Å; L170-W210 VanDerWaalsContact O-CZ2 3.25Å; L170-W210 WeakPolarHBondContact O-CZ2 3.43Å; W173-W210 HydrophobicContact CB-CH2 3.8Å; W173-W210 HydrophobicContact CB-CZ3 4.3Å; Q174-W210 HydrophobicContact CB-CZ2 4.18Å; V177-W210 HydrophobicContact CG1-CG 4.41Å; V177-W210 HydrophobicContact CG2-CD2 3.81Å; V177-W210 HydrophobicContact CG2-CE3 3.7Å; V177-W210 HydrophobicContact CG2-CG 4.22Å; V177-W210 HydrophobicContact CG2-CZ3 4.19Å; I206-W210 WeakPolarHBondContact O-CB 3.46Å; I206-W210 PolarHBondContact O-N 2.94Å; W210-S212 PolarHBondContact O-N 2.91Å; W210-I213 PolarHBondContact O-N 3.33Å; W210-H214 AromaticContact CE2-CD2 3.96Å; W210-H214 AromaticContact NE1-CD2 3.85Å; W210-H214 PolarHBondContact O-N 3.13Å; W210-H214 VanDerWaalsContact O-N 3.08Å
211	R	93.3	Very high	92.4	Very high	156 Å²	156	63.1 Å²	63.1	59%	0.589	31%	0.31	S	S	*	.	H	α-helix	trans	-59.5	-42.6	176.4	-75.7	-177.1	-73.1	157.9	-9.1	112.8	N207 H214 K215	N207-R211 WeakPolarHBondContact O-CG 3.4Å; N207-R211 PolarHBondContact O-N 2.95Å; N207-R211 VanDerWaalsContact O-N 3.11Å; N207-R211 PolarHBondContact O-NE 3.21Å; R211-H214 PolarHBondContact O-N 2.93Å; R211-K215 WeakPolarHBondContact O-CB 3.35Å; R211-K215 PolarHBondContact O-N 3.23Å
212	S	93.6	Very high	92.2	Very high	66 Å²	66	59.7 Å²	59.7	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-44.4	179.6	-178.7	0	0	0	0	112.1	A208 S209 W210 K215 R216	A208-S212 WeakPolarHBondContact O-CB 3.46Å; A208-S212 PolarHBondContact O-N 3.43Å; A208-S212 VanDerWaalsContact O-N 3.1Å; S209-S212 PolarHBondContact O-N 3.48Å; W210-S212 PolarHBondContact O-N 2.91Å; S212-K215 PolarHBondContact O-N 3.14Å; S212-R216 WeakPolarHBondContact O-CG 3.34Å; S212-R216 PolarHBondContact O-N 2.88Å
213	I	93	Very high	91.9	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-47.8	177.6	-70	168.2	0	0	0	110.5	L136 A139 R140 L143 L170 S209 W210 K215 R216 V217	L136-I213 HydrophobicContact CD2-CD1 3.63Å; A139-I213 HydrophobicContact CB-CD1 4.1Å; A139-I213 HydrophobicContact CB-CG2 3.8Å; R140-I213 HydrophobicContact CG-CD1 3.75Å; R140-I213 HydrophobicContact CG-CG1 4.35Å; L143-I213 HydrophobicContact CD1-CB 4.31Å; L143-I213 HydrophobicContact CD1-CG1 4.06Å; L143-I213 HydrophobicContact CD1-CG2 4.04Å; L170-I213 HydrophobicContact CD1-CG2 3.94Å; L170-I213 HydrophobicContact CD2-CG2 3.77Å; S209-I213 WeakPolarHBondContact O-CG1 3.5Å; S209-I213 PolarHBondContact O-N 3.28Å; S209-I213 VanDerWaalsContact O-N 3.13Å; W210-I213 PolarHBondContact O-N 3.33Å; I213-K215 VanDerWaalsContact C-N 3.32Å; I213-K215 PolarHBondContact O-N 2.77Å; I213-R216 PolarHBondContact O-N 3.12Å; I213-V217 WeakPolarHBondContact O-CG2 3.33Å; I213-V217 PolarHBondContact O-N 3.18Å
214	H	92.1	Very high	91.6	Very high	68 Å²	68	60.7 Å²	60.7	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-58.1	-43.7	178.5	-119.7	-74.3	0	0	0	112.4	W210 R211 V217 S218	W210-H214 AromaticContact CE2-CD2 3.96Å; W210-H214 AromaticContact NE1-CD2 3.85Å; W210-H214 PolarHBondContact O-N 3.13Å; W210-H214 VanDerWaalsContact O-N 3.08Å; R211-H214 PolarHBondContact O-N 2.93Å; H214-V217 PolarHBondContact O-N 3.4Å; H214-S218 PolarHBondContact O-N 2.73Å; H214-S218 VanDerWaalsContact O-N 3.1Å
215	K	92.7	Very high	91.4	Very high	127 Å²	127	60 Å²	60	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-60.8	-49.6	176.8	-178.6	176.1	172.4	179.2	0	111.6	R211 S212 I213 V217 S218 E219	R211-K215 WeakPolarHBondContact O-CB 3.35Å; R211-K215 PolarHBondContact O-N 3.23Å; S212-K215 PolarHBondContact O-N 3.14Å; I213-K215 VanDerWaalsContact C-N 3.32Å; I213-K215 PolarHBondContact O-N 2.77Å; K215-V217 VanDerWaalsContact C-N 3.34Å; K215-V217 PolarHBondContact O-N 3.3Å; K215-S218 PolarHBondContact O-N 3.45Å; K215-E219 WeakPolarHBondContact CE-OE1 3.34Å; K215-E219 HydrophobicContact CG-CG 4.33Å; K215-E219 IonicContact NZ-OE1 2.77Å; K215-E219 WeakPolarHBondContact O-CG 3.27Å; K215-E219 PolarHBondContact O-N 3.39Å
216	R	91.9	Very high	91	Very high	134 Å²	134	61 Å²	61	51%	0.506	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-38.3	-179.3	-72.6	-179.1	68.1	-164.9	-0.5	113.2	L143 S212 I213 R220	L143-R216 HydrophobicContact CD1-CB 4.46Å; S212-R216 WeakPolarHBondContact O-CG 3.34Å; S212-R216 PolarHBondContact O-N 2.88Å; I213-R216 PolarHBondContact O-N 3.12Å; R216-R220 WeakPolarHBondContact O-CB 3.3Å; R216-R220 PolarHBondContact O-N 3.29Å; R216-R220 VanDerWaalsContact O-N 3.14Å
217	V	92.1	Very high	90.6	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-46.5	176	174.9	0	0	0	0	110.7	L143 W146 T163 L166 A167 L170 I213 H214 K215 R220 E221	L143-V217 HydrophobicContact CD2-CG2 3.68Å; W146-V217 HydrophobicContact CH2-CG1 4.48Å; W146-V217 HydrophobicContact CH2-CG2 4.05Å; W146-V217 HydrophobicContact CZ3-CG2 4.47Å; T163-V217 HydrophobicContact CG2-CG1 3.96Å; L166-V217 HydrophobicContact CD2-CG2 3.64Å; L166-V217 HydrophobicContact CG-CG2 4.08Å; A167-V217 HydrophobicContact CB-CG1 3.85Å; L170-V217 HydrophobicContact CD1-CB 4.24Å; L170-V217 HydrophobicContact CD1-CG2 3.83Å; I213-V217 WeakPolarHBondContact O-CG2 3.33Å; I213-V217 PolarHBondContact O-N 3.18Å; H214-V217 PolarHBondContact O-N 3.4Å; K215-V217 VanDerWaalsContact C-N 3.34Å; K215-V217 PolarHBondContact O-N 3.3Å; V217-R220 PolarHBondContact O-N 2.74Å; V217-E221 PolarHBondContact O-N 3.46Å
218	S	90.7	Very high	90.1	Very high	73 Å²	73	62.3 Å²	62.3	51%	0.51	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-42.1	179.5	-172.6	0	0	0	0	112.9	H214 K215 E221 A222	H214-S218 PolarHBondContact O-N 2.73Å; H214-S218 VanDerWaalsContact O-N 3.1Å; K215-S218 PolarHBondContact O-N 3.45Å; S218-E221 PolarHBondContact O-N 3.06Å; S218-A222 PolarHBondContact O-N 2.97Å; S218-A222 VanDerWaalsContact O-N 3.09Å
219	E	90.6	Very high	89.8	Confident	106 Å²	106	68.6 Å²	68.6	50%	0.495	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-40.9	177.7	-74.1	173.9	161.1	0	0	111.4	K215 A223	K215-E219 WeakPolarHBondContact CE-OE1 3.34Å; K215-E219 HydrophobicContact CG-CG 4.33Å; K215-E219 IonicContact NZ-OE1 2.77Å; K215-E219 WeakPolarHBondContact O-CG 3.27Å; K215-E219 PolarHBondContact O-N 3.39Å; E219-A223 WeakPolarHBondContact O-CB 3.43Å; E219-A223 PolarHBondContact O-N 3.49Å
220	R	89.1	Confident	89.4	Confident	61 Å²	61	70 Å²	70	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-41.1	176.2	-173.3	-176.8	180	86.5	-5.7	112	W146 T163 R216 V217 A223 L224	W146-R220 HydrophobicContact CZ3-CB 4.44Å; W146-R220 HydrophobicContact CZ3-CG 4.38Å; T163-R220 HydrophobicContact CG2-CB 4.47Å; R216-R220 WeakPolarHBondContact O-CB 3.3Å; R216-R220 PolarHBondContact O-N 3.29Å; R216-R220 VanDerWaalsContact O-N 3.14Å; V217-R220 PolarHBondContact O-N 2.74Å; R220-A223 PolarHBondContact O-N 3.31Å; R220-L224 HydrophobicContact CG-CD1 3.9Å; R220-L224 HydrophobicContact CG-CG 4.3Å; R220-L224 WeakPolarHBondContact O-CB 3.33Å; R220-L224 VanDerWaalsContact O-CG 3.27Å; R220-L224 WeakPolarHBondContact O-CG 3.34Å; R220-L224 PolarHBondContact O-N 3.46Å
221	E	88.8	Confident	88.8	Confident	45 Å²	45	70.2 Å²	70.2	21%	0.21	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-52.2	176.8	-172.7	174	177.6	0	0	110.8	T163 K164 V217 S218 A223 L224 E225	T163-E221 HydrophobicContact CG2-CB 3.9Å; K164-E221 WeakPolarHBondContact CE-OE1 3.32Å; K164-E221 HydrophobicContact CG-CG 4.4Å; K164-E221 WeakPolarHBondContact CG-OE1 3.45Å; V217-E221 PolarHBondContact O-N 3.46Å; S218-E221 PolarHBondContact O-N 3.06Å; E221-A223 PolarHBondContact O-N 3Å; E221-L224 PolarHBondContact O-N 2.83Å; E221-E225 WeakPolarHBondContact O-CG 3.37Å; E221-E225 PolarHBondContact O-N 3.17Å
222	A	88.9	Confident	88.4	Confident	57 Å²	57	67.8 Å²	67.8	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-43.1	178.9	0	0	0	0	0	112.7	S218 E225 E226	S218-A222 PolarHBondContact O-N 2.97Å; S218-A222 VanDerWaalsContact O-N 3.09Å; A222-E225 PolarHBondContact O-N 3.03Å; A222-E226 PolarHBondContact O-N 3.23Å
223	A	86.4	Confident	88	Confident	56 Å²	56	68.7 Å²	68.7	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-40	179.3	0	0	0	0	0	112.8	E219 R220 E221 T227	E219-A223 WeakPolarHBondContact O-CB 3.43Å; E219-A223 PolarHBondContact O-N 3.49Å; R220-A223 PolarHBondContact O-N 3.31Å; E221-A223 PolarHBondContact O-N 3Å; A223-T227 WeakPolarHBondContact O-CB 3.32Å; A223-T227 PolarHBondContact O-N 3.4Å; A223-T227 VanDerWaalsContact O-N 3.09Å; A223-T227 PolarHBondContact O-OG1 3.1Å
224	L	86.5	Confident	87.7	Confident	11 Å²	11	69 Å²	69	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-69.8	-39.5	177.2	-70.3	172.6	0	0	0	111.5	I156 K159 I160 R220 E221 T227 H228	I156-L224 HydrophobicContact CD1-CD2 3.78Å; I156-L224 HydrophobicContact CG2-CB 4.32Å; I156-L224 HydrophobicContact CG2-CD2 4.27Å; I156-L224 WeakPolarHBondContact CG2-O 3.37Å; K159-L224 HydrophobicContact CB-CD1 3.83Å; K159-L224 HydrophobicContact CB-CD2 4.35Å; K159-L224 HydrophobicContact CD-CD2 4.34Å; I160-L224 HydrophobicContact CD1-CB 4.29Å; I160-L224 HydrophobicContact CG1-CB 3.57Å; I160-L224 HydrophobicContact CG1-CD1 4.48Å; R220-L224 HydrophobicContact CG-CD1 3.9Å; R220-L224 HydrophobicContact CG-CG 4.3Å; R220-L224 WeakPolarHBondContact O-CB 3.33Å; R220-L224 VanDerWaalsContact O-CG 3.27Å; R220-L224 WeakPolarHBondContact O-CG 3.34Å; R220-L224 PolarHBondContact O-N 3.46Å; E221-L224 PolarHBondContact O-N 2.83Å; L224-T227 PolarHBondContact O-N 3.2Å; L224-H228 WeakPolarHBondContact O-CB 3.26Å; L224-H228 PolarHBondContact O-N 2.89Å
225	E	87.9	Confident	87.3	Confident	81 Å²	81	68.4 Å²	68.4	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-41.8	176.6	-74.1	-175.2	157.9	0	0	112.5	I160 K164 E221 A222 H228 R229	I160-E225 HydrophobicContact CD1-CG 4.06Å; I160-E225 HydrophobicContact CG1-CG 4.39Å; I160-E225 HydrophobicContact CG2-CG 4.37Å; K164-E225 WeakPolarHBondContact CE-OE1 3.43Å; K164-E225 IonicContact NZ-OE1 3.37Å; K164-E225 PolarHBondContact NZ-OE1 3.24Å; E221-E225 WeakPolarHBondContact O-CG 3.37Å; E221-E225 PolarHBondContact O-N 3.17Å; A222-E225 PolarHBondContact O-N 3.03Å; E225-H228 PolarHBondContact O-N 3.29Å; E225-R229 PolarHBondContact O-N 3.17Å
226	E	85.3	Confident	87.1	Confident	121 Å²	121	66.6 Å²	66.6	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-65.7	-43.3	176.2	-176.6	58.1	-163.2	0	0	111.5	A222 H228 R229 L230	A222-E226 PolarHBondContact O-N 3.23Å; E226-H228 VanDerWaalsContact C-N 3.3Å; E226-H228 PolarHBondContact O-N 2.93Å; E226-R229 PolarHBondContact O-N 3.32Å; E226-L230 PolarHBondContact O-N 2.87Å
227	T	83.5	Confident	86.9	Confident	43 Å²	43	62.8 Å²	62.8	26%	0.264	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-39.1	176.7	-54.9	0	0	0	0	111.4	Y151 A223 L224 L230 L231	Y151-T227 HydrophobicContact CD1-CG2 3.78Å; Y151-T227 HydrophobicContact CE1-CG2 4.28Å; A223-T227 WeakPolarHBondContact O-CB 3.32Å; A223-T227 PolarHBondContact O-N 3.4Å; A223-T227 VanDerWaalsContact O-N 3.09Å; A223-T227 PolarHBondContact O-OG1 3.1Å; L224-T227 PolarHBondContact O-N 3.2Å; T227-L230 PolarHBondContact O-N 3.01Å; T227-L231 HydrophobicContact CG2-CD1 4.14Å; T227-L231 WeakPolarHBondContact O-CG 3.21Å; T227-L231 PolarHBondContact O-N 3.03Å
228	H	85.1	Confident	86.7	Confident	25 Å²	25	62.7 Å²	62.7	12%	0.116	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-44.9	176.1	-177	-104.8	0	0	0	112	I156 Q157 I160 L224 E225 E226 L230 L231 Q232	I156-H228 HydrophobicContact CG2-CB 3.85Å; Q157-H228 PolarHBondContact OE1-CE1 3.15Å; Q157-H228 PolarHBondContact OE1-NE2 3.07Å; I160-H228 HydrophobicContact CD1-CB 3.9Å; L224-H228 WeakPolarHBondContact O-CB 3.26Å; L224-H228 PolarHBondContact O-N 2.89Å; E225-H228 PolarHBondContact O-N 3.29Å; E226-H228 VanDerWaalsContact C-N 3.3Å; E226-H228 PolarHBondContact O-N 2.93Å; H228-L230 VanDerWaalsContact C-N 3.35Å; H228-L230 PolarHBondContact O-N 3.15Å; H228-L231 PolarHBondContact O-N 3.04Å; H228-Q232 PolarHBondContact CE1-NE2 2.81Å; H228-Q232 PolarHBondContact CE1-OE1 2.78Å; H228-Q232 WeakPolarHBondContact O-CG 3.48Å; H228-Q232 PolarHBondContact O-N 2.67Å; H228-Q232 VanDerWaalsContact O-N 3.11Å
229	R	85.8	Confident	86.6	Confident	175 Å²	175	64.1 Å²	64.1	66%	0.66	32%	0.322	S	S	*	.	H	α-helix	trans	-60.8	-44.4	176.8	-173.7	-177.9	-179.2	167.9	0.6	111.7	E225 E226 Q232 Q233	E225-R229 PolarHBondContact O-N 3.17Å; E226-R229 PolarHBondContact O-N 3.32Å; R229-Q232 PolarHBondContact O-N 3.15Å; R229-Q233 WeakPolarHBondContact O-CB 3.46Å; R229-Q233 PolarHBondContact O-N 2.94Å
230	L	84.8	Confident	86.5	Confident	43 Å²	43	65.6 Å²	65.6	23%	0.225	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-48	177.6	-179	64.1	0	0	0	111.6	E226 T227 H228 Q232 Q233 F234 N298 I302	E226-L230 PolarHBondContact O-N 2.87Å; T227-L230 PolarHBondContact O-N 3.01Å; H228-L230 VanDerWaalsContact C-N 3.35Å; H228-L230 PolarHBondContact O-N 3.15Å; L230-Q232 VanDerWaalsContact C-N 3.27Å; L230-Q232 PolarHBondContact O-N 2.82Å; L230-Q233 PolarHBondContact O-N 2.86Å; L230-F234 WeakPolarHBondContact O-CB 3.44Å; L230-F234 PolarHBondContact O-N 2.86Å; L230-N298 HydrophobicContact CD1-CB 4.01Å; L230-I302 HydrophobicContact CD2-CG1 4.46Å; L230-I302 HydrophobicContact CG-CD1 4.38Å
231	L	82.6	Confident	86.6	Confident	19 Å²	19	63 Å²	63	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-30	179.8	-71.7	170.2	0	0	0	113.2	Y151 V153 I156 T227 H228 P235 I302	Y151-L231 WeakPolarHBondContact O-CD1 3.34Å; V153-L231 HydrophobicContact CG2-CB 3.84Å; I156-L231 HydrophobicContact CG1-CD1 4.27Å; T227-L231 HydrophobicContact CG2-CD1 4.14Å; T227-L231 WeakPolarHBondContact O-CG 3.21Å; T227-L231 PolarHBondContact O-N 3.03Å; H228-L231 PolarHBondContact O-N 3.04Å; L231-P235 VanDerWaalsContact O-CD 3.32Å; L231-P235 WeakPolarHBondContact O-CD 3.36Å; L231-I302 HydrophobicContact CD2-CD1 4.28Å; L231-I302 HydrophobicContact CD2-CG1 3.98Å; L231-I302 HydrophobicContact CD2-CG2 3.95Å
232	Q	84.4	Confident	86.7	Confident	105 Å²	105	61.9 Å²	61.9	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-77.5	-40.8	176.7	-73	-174.8	-37.9	0	0	113.2	V153 H228 R229 L230	V153-Q232 HydrophobicContact CG1-CG 4.31Å; H228-Q232 PolarHBondContact CE1-NE2 2.81Å; H228-Q232 PolarHBondContact CE1-OE1 2.78Å; H228-Q232 WeakPolarHBondContact O-CG 3.48Å; H228-Q232 PolarHBondContact O-N 2.67Å; H228-Q232 VanDerWaalsContact O-N 3.11Å; R229-Q232 PolarHBondContact O-N 3.15Å; L230-Q232 VanDerWaalsContact C-N 3.27Å; L230-Q232 PolarHBondContact O-N 2.82Å
233	Q	85	Confident	86.7	Confident	85 Å²	85	61.6 Å²	61.6	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-82.5	-36.4	-172.8	-171.3	63.5	33.7	0	0	112.6	R229 L230 L236 D237	R229-Q233 WeakPolarHBondContact O-CB 3.46Å; R229-Q233 PolarHBondContact O-N 2.94Å; L230-Q233 PolarHBondContact O-N 2.86Å; Q233-L236 WeakPolarHBondContact O-CB 3.39Å; Q233-L236 PolarHBondContact O-N 3.41Å; Q233-L236 VanDerWaalsContact O-N 3.12Å; Q233-D237 WeakPolarHBondContact CG-OD2 3.38Å; Q233-D237 PolarHBondContact NE2-OD1 3.14Å; Q233-D237 PolarHBondContact O-N 3.24Å; Q233-D237 VanDerWaalsContact O-N 3.17Å
234	F	88.1	Confident	87	Confident	11 Å²	11	60.3 Å²	60.3	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-55.5	-44.8	-172.6	171.8	-94	0	0	0	114.9	L230 L236 D237 L238 L295 N298 I302 L315 L319	L230-F234 WeakPolarHBondContact O-CB 3.44Å; L230-F234 PolarHBondContact O-N 2.86Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 2.78Å; F234-D237 PolarHBondContact O-N 2.78Å; F234-L238 HydrophobicContact CE1-CD2 4.11Å; F234-L238 HydrophobicContact CZ-CD2 4.08Å; F234-L238 WeakPolarHBondContact O-CB 3.49Å; F234-L238 PolarHBondContact O-N 3.25Å; F234-L295 HydrophobicContact CD2-CD2 4.03Å; F234-L295 HydrophobicContact CE2-CD2 3.94Å; F234-L295 WeakPolarHBondContact CE2-O 3.33Å; F234-N298 HydrophobicContact CD2-CB 4.12Å; F234-N298 HydrophobicContact CE2-CB 4.46Å; F234-I302 HydrophobicContact CB-CD1 3.68Å; F234-I302 HydrophobicContact CD1-CD1 3.44Å; F234-I302 VanDerWaalsContact CD1-CD1 3.44Å; F234-I302 HydrophobicContact CD2-CD1 3.93Å; F234-I302 HydrophobicContact CE1-CD1 4.06Å; F234-I302 HydrophobicContact CE2-CD1 4.49Å; F234-I302 HydrophobicContact CG-CD1 3.37Å; F234-L315 HydrophobicContact CE1-CD1 3.52Å; F234-L315 HydrophobicContact CE1-CD2 4.01Å; F234-L315 HydrophobicContact CE1-CG 4.42Å; F234-L315 HydrophobicContact CZ-CD1 3.89Å; F234-L319 HydrophobicContact CZ-CD2 4.41Å
235	P	83.8	Confident	87.3	Confident	55 Å²	55	59.8 Å²	59.8	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-35.9	178.2	-23.2	34.4	0	0	0	113.4	L231 E239	L231-P235 VanDerWaalsContact O-CD 3.32Å; L231-P235 WeakPolarHBondContact O-CD 3.36Å; P235-E239 WeakPolarHBondContact O-CG 3.47Å; P235-E239 PolarHBondContact O-N 3.23Å; P235-E239 VanDerWaalsContact O-N 3.09Å
236	L	87.3	Confident	87.3	Confident	89 Å²	89	58.7 Å²	58.7	47%	0.466	29%	0.29	S	S	.	.	H	α-helix	trans	-69.5	-42.6	179.7	-63	170.9	0	0	0	111.2	Q233 F234 E239 K240	Q233-L236 WeakPolarHBondContact O-CB 3.39Å; Q233-L236 PolarHBondContact O-N 3.41Å; Q233-L236 VanDerWaalsContact O-N 3.12Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 2.78Å; L236-E239 PolarHBondContact O-N 3.32Å; L236-K240 WeakPolarHBondContact O-CG 3.43Å; L236-K240 PolarHBondContact O-N 3.49Å; L236-K240 VanDerWaalsContact O-N 3.08Å
237	D	87.5	Confident	87.5	Confident	55 Å²	55	59 Å²	59	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-70.1	-38.7	-180	-66.8	-12.4	0	0	0	110.9	Q233 F234 E239 K240 F241 L295	Q233-D237 WeakPolarHBondContact CG-OD2 3.38Å; Q233-D237 PolarHBondContact NE2-OD1 3.14Å; Q233-D237 PolarHBondContact O-N 3.24Å; Q233-D237 VanDerWaalsContact O-N 3.17Å; F234-D237 PolarHBondContact O-N 2.78Å; D237-E239 VanDerWaalsContact C-N 3.34Å; D237-E239 PolarHBondContact O-N 3.41Å; D237-K240 PolarHBondContact O-N 3.01Å; D237-F241 WeakPolarHBondContact O-CB 3.25Å; D237-F241 PolarHBondContact O-N 3.44Å; D237-L295 HydrophobicContact CB-CD2 3.82Å
238	L	88.6	Confident	87.9	Confident	1 Å²	1	57 Å²	57	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-40.3	173.8	-179.2	61.1	0	0	0	112	F234 L242 L295 L315 R318 L319 M322	F234-L238 HydrophobicContact CE1-CD2 4.11Å; F234-L238 HydrophobicContact CZ-CD2 4.08Å; F234-L238 WeakPolarHBondContact O-CB 3.49Å; F234-L238 PolarHBondContact O-N 3.25Å; L238-L242 HydrophobicContact CD1-CD1 4.18Å; L238-L242 HydrophobicContact CD1-CG 4.3Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 WeakPolarHBondContact O-CB 3.47Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.3Å; L238-L295 HydrophobicContact CB-CD2 4.26Å; L238-L315 HydrophobicContact CD2-CD1 3.94Å; L238-R318 HydrophobicContact CD2-CB 4.29Å; L238-L319 HydrophobicContact CD1-CD2 4.35Å; L238-M322 HydrophobicContact CD1-SD 3.63Å
239	E	88.3	Confident	88	Confident	102 Å²	102	57.6 Å²	57.6	48%	0.477	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-45.8	177.2	-79	178.2	-173.5	0	0	113	P235 L236 D237 F241 L242 A243 R318	P235-E239 WeakPolarHBondContact O-CG 3.47Å; P235-E239 PolarHBondContact O-N 3.23Å; P235-E239 VanDerWaalsContact O-N 3.09Å; L236-E239 PolarHBondContact O-N 3.32Å; D237-E239 VanDerWaalsContact C-N 3.34Å; D237-E239 PolarHBondContact O-N 3.41Å; E239-F241 VanDerWaalsContact C-N 3.3Å; E239-F241 PolarHBondContact O-N 2.93Å; E239-L242 PolarHBondContact O-N 3.42Å; E239-A243 PolarHBondContact O-N 3.41Å; E239-R318 IonicContact OE1-CZ 3.88Å; E239-R318 IonicContact OE1-NH1 2.65Å; E239-R318 IonicContact OE1-NH2 3.97Å; E239-R318 PolarHBondContact OE1-NH2 2.98Å
240	K	88.7	Confident	88.2	Confident	138 Å²	138	53 Å²	53	60%	0.6	27%	0.274	S	S	*	.	H	α-helix	trans	-58.7	-44.2	175.8	-72.6	173	-175.6	172.3	0	111.4	L236 D237 A243 W244	L236-K240 WeakPolarHBondContact O-CG 3.43Å; L236-K240 PolarHBondContact O-N 3.49Å; L236-K240 VanDerWaalsContact O-N 3.08Å; D237-K240 PolarHBondContact O-N 3.01Å; K240-A243 PolarHBondContact O-N 3.39Å; K240-W244 PolarHBondContact O-N 2.96Å
241	F	92.4	Very high	88.3	Confident	5 Å²	5	54 Å²	54	2%	0.022	28%	0.282	C	S	.	.	H	α-helix	trans	-68.5	-39.9	-179.7	-175.5	-105.1	0	0	0	112.6	D237 E239 A243 W244 L245 H288 V291 Y292 L295 M322 W326	D237-F241 WeakPolarHBondContact O-CB 3.25Å; D237-F241 PolarHBondContact O-N 3.44Å; E239-F241 VanDerWaalsContact C-N 3.3Å; E239-F241 PolarHBondContact O-N 2.93Å; F241-A243 VanDerWaalsContact C-N 3.32Å; F241-A243 PolarHBondContact O-N 3.01Å; F241-W244 AromaticContact CD2-CE3 3.91Å; F241-W244 HydrophobicContact CD2-CE3 3.91Å; F241-W244 HydrophobicContact CD2-CZ3 4.33Å; F241-W244 AromaticContact CE2-CE3 3.63Å; F241-W244 HydrophobicContact CE2-CE3 3.63Å; F241-W244 AromaticContact CE2-CZ3 3.58Å; F241-W244 HydrophobicContact CE2-CZ3 3.58Å; F241-W244 HydrophobicContact CZ-CE3 4.26Å; F241-W244 AromaticContact CZ-CZ3 3.95Å; F241-W244 HydrophobicContact CZ-CZ3 3.95Å; F241-W244 PolarHBondContact O-N 3.24Å; F241-L245 HydrophobicContact CD1-CD1 3.78Å; F241-L245 HydrophobicContact CD1-CG 4.25Å; F241-L245 HydrophobicContact CE1-CD1 3.33Å; F241-L245 HydrophobicContact CE1-CG 3.79Å; F241-L245 HydrophobicContact CZ-CD1 3.98Å; F241-L245 HydrophobicContact CZ-CD2 4.46Å; F241-L245 HydrophobicContact CZ-CG 3.96Å; F241-L245 WeakPolarHBondContact O-CB 3.2Å; F241-L245 PolarHBondContact O-N 3.17Å; F241-H288 HydrophobicContact CE2-CB 4.11Å; F241-V291 HydrophobicContact CB-CG1 4.49Å; F241-V291 HydrophobicContact CD2-CB 4.27Å; F241-V291 HydrophobicContact CD2-CG1 3.78Å; F241-V291 HydrophobicContact CE2-CB 4.45Å; F241-V291 HydrophobicContact CE2-CG1 4.42Å; F241-V291 HydrophobicContact CG-CG1 4.35Å; F241-Y292 AromaticContact CE1-CD2 3.94Å; F241-Y292 HydrophobicContact CE1-CD2 3.94Å; F241-Y292 HydrophobicContact CZ-CD2 4.02Å; F241-Y292 HydrophobicContact CZ-CG 4.33Å; F241-L295 HydrophobicContact CB-CD1 3.4Å; F241-L295 VanDerWaalsContact CB-CD1 3.4Å; F241-L295 HydrophobicContact CD1-CD1 3.81Å; F241-L295 HydrophobicContact CD2-CD1 4.39Å; F241-L295 HydrophobicContact CG-CD1 3.62Å; F241-M322 HydrophobicContact CD1-CG 3.72Å; F241-M322 HydrophobicContact CD1-SD 3.55Å; F241-M322 VanDerWaalsContact CD1-SD 3.55Å; F241-M322 HydrophobicContact CE1-CG 3.56Å; F241-M322 HydrophobicContact CE1-SD 3.69Å; F241-W326 HydrophobicContact CE2-CZ3 4.35Å; F241-W326 AromaticContact CZ-CE3 3.76Å; F241-W326 HydrophobicContact CZ-CE3 3.76Å; F241-W326 AromaticContact CZ-CZ3 3.98Å; F241-W326 HydrophobicContact CZ-CZ3 3.98Å
242	L	89.1	Confident	88.5	Confident	22 Å²	22	53 Å²	53	12%	0.115	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-34.5	174.3	-77.9	172.5	0	0	0	113	L238 E239 L245 T246 M322	L238-L242 HydrophobicContact CD1-CD1 4.18Å; L238-L242 HydrophobicContact CD1-CG 4.3Å; L238-L242 HydrophobicContact CG-CD1 4.1Å; L238-L242 WeakPolarHBondContact O-CB 3.47Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.3Å; E239-L242 PolarHBondContact O-N 3.42Å; L242-L245 HydrophobicContact CD2-CD1 4.39Å; L242-T246 PolarHBondContact O-N 2.69Å; L242-T246 PolarHBondContact O-OG1 3.03Å; L242-M322 HydrophobicContact CD2-CB 3.76Å; L242-M322 HydrophobicContact CD2-CG 4.15Å
243	A	88.7	Confident	88.7	Confident	52 Å²	52	50.5 Å²	50.5	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-52.1	173.6	0	0	0	0	0	110.8	E239 K240 F241 L245 T246 E247	E239-A243 PolarHBondContact O-N 3.41Å; K240-A243 PolarHBondContact O-N 3.39Å; F241-A243 VanDerWaalsContact C-N 3.32Å; F241-A243 PolarHBondContact O-N 3.01Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-L245 PolarHBondContact O-N 3.11Å; A243-T246 WeakPolarHBondContact O-CB 3.09Å; A243-T246 PolarHBondContact O-N 3.49Å; A243-E247 PolarHBondContact O-N 2.84Å; A243-E247 VanDerWaalsContact O-N 3.1Å
244	W	93.9	Very high	88.8	Confident	28 Å²	28	51.2 Å²	51.2	11%	0.106	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-44.5	175.5	170.3	78.5	0	0	0	112.4	K240 F241 T246 E247 A248 E284 H288 W326 L329	K240-W244 PolarHBondContact O-N 2.96Å; F241-W244 AromaticContact CD2-CE3 3.91Å; F241-W244 HydrophobicContact CD2-CE3 3.91Å; F241-W244 HydrophobicContact CD2-CZ3 4.33Å; F241-W244 AromaticContact CE2-CE3 3.63Å; F241-W244 HydrophobicContact CE2-CE3 3.63Å; F241-W244 AromaticContact CE2-CZ3 3.58Å; F241-W244 HydrophobicContact CE2-CZ3 3.58Å; F241-W244 HydrophobicContact CZ-CE3 4.26Å; F241-W244 AromaticContact CZ-CZ3 3.95Å; F241-W244 HydrophobicContact CZ-CZ3 3.95Å; F241-W244 PolarHBondContact O-N 3.24Å; W244-T246 PolarHBondContact O-N 3.41Å; W244-E247 WeakPolarHBondContact O-CB 3.26Å; W244-E247 PolarHBondContact O-N 3.06Å; W244-A248 HydrophobicContact CH2-CB 4.3Å; W244-A248 HydrophobicContact CZ2-CB 3.91Å; W244-A248 WeakPolarHBondContact O-CB 3.27Å; W244-A248 PolarHBondContact O-N 3.5Å; W244-E284 HydrophobicContact CZ2-CB 4.37Å; W244-H288 AromaticContact CD1-CE1 3.93Å; W244-H288 AromaticContact CD1-NE2 3.92Å; W244-H288 HydrophobicContact CD2-CB 4.31Å; W244-H288 AromaticContact CD2-CD2 3.81Å; W244-H288 AromaticContact CD2-CG 3.83Å; W244-H288 AromaticContact CE2-CD2 3.95Å; W244-H288 AromaticContact CE2-CE1 3.75Å; W244-H288 AromaticContact CE2-CG 3.6Å; W244-H288 AromaticContact CE2-ND1 3.47Å; W244-H288 HydrophobicContact CE3-CB 4.08Å; W244-H288 HydrophobicContact CH2-CB 3.54Å; W244-H288 AromaticContact CH2-CG 3.96Å; W244-H288 HydrophobicContact CZ2-CB 3.76Å; W244-H288 AromaticContact CZ2-CG 3.67Å; W244-H288 AromaticContact CZ2-ND1 3.55Å; W244-H288 HydrophobicContact CZ3-CB 3.7Å; W244-H288 AromaticContact NE1-CE1 3.51Å; W244-H288 AromaticContact NE1-ND1 3.67Å; W244-H288 AromaticContact NE1-NE2 3.91Å; W244-W326 HydrophobicContact CH2-CE3 4.37Å; W244-W326 AromaticContact CH2-CZ3 3.66Å; W244-W326 HydrophobicContact CH2-CZ3 3.66Å; W244-W326 HydrophobicContact CZ3-CE3 4.05Å; W244-W326 AromaticContact CZ3-CZ3 3.63Å; W244-W326 HydrophobicContact CZ3-CZ3 3.63Å; W244-L329 HydrophobicContact CH2-CD2 4.18Å
245	L	91.9	Very high	88.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.6	-37.7	176.2	-97.4	177.6	0	0	0	112.3	F241 L242 A243 E249 M322 K325 W326 L329	F241-L245 HydrophobicContact CD1-CD1 3.78Å; F241-L245 HydrophobicContact CD1-CG 4.25Å; F241-L245 HydrophobicContact CE1-CD1 3.33Å; F241-L245 HydrophobicContact CE1-CG 3.79Å; F241-L245 HydrophobicContact CZ-CD1 3.98Å; F241-L245 HydrophobicContact CZ-CD2 4.46Å; F241-L245 HydrophobicContact CZ-CG 3.96Å; F241-L245 WeakPolarHBondContact O-CB 3.2Å; F241-L245 PolarHBondContact O-N 3.17Å; L242-L245 HydrophobicContact CD2-CD1 4.39Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-L245 PolarHBondContact O-N 3.11Å; L245-E249 WeakPolarHBondContact O-CB 3.35Å; L245-E249 PolarHBondContact O-N 3.06Å; L245-M322 HydrophobicContact CD1-CG 3.77Å; L245-K325 HydrophobicContact CD1-CB 4.31Å; L245-W326 HydrophobicContact CD2-CB 4.23Å; L245-W326 HydrophobicContact CD2-CE3 3.86Å; L245-L329 HydrophobicContact CD2-CD2 3.93Å
246	T	89.4	Confident	88.5	Confident	59 Å²	59	49.4 Å²	49.4	36%	0.362	26%	0.264	S	S	.	.	H	α-helix	trans	-71.1	-40.5	178.9	-56.4	0	0	0	0	110.8	L242 A243 W244 E249 T250 K325	L242-T246 PolarHBondContact O-N 2.69Å; L242-T246 PolarHBondContact O-OG1 3.03Å; A243-T246 WeakPolarHBondContact O-CB 3.09Å; A243-T246 PolarHBondContact O-N 3.49Å; W244-T246 PolarHBondContact O-N 3.41Å; T246-E249 PolarHBondContact O-N 2.83Å; T246-T250 WeakPolarHBondContact O-CG2 3.46Å; T246-T250 PolarHBondContact O-N 3Å; T246-K325 PolarHBondContact OG1-NZ 3.46Å; T246-K325 VanDerWaalsContact OG1-NZ 3.07Å
247	E	89.6	Confident	88.2	Confident	128 Å²	128	49.4 Å²	49.4	60%	0.598	26%	0.264	S	S	*	.	H	α-helix	trans	-63.8	-50.3	174.1	-68	176.3	-173.7	0	0	111.6	A243 W244 E249 T250 T251	A243-E247 PolarHBondContact O-N 2.84Å; A243-E247 VanDerWaalsContact O-N 3.1Å; W244-E247 WeakPolarHBondContact O-CB 3.26Å; W244-E247 PolarHBondContact O-N 3.06Å; E247-E249 VanDerWaalsContact C-N 3.29Å; E247-E249 PolarHBondContact O-N 3.4Å; E247-T250 WeakPolarHBondContact CA-OG1 3.22Å; E247-T250 WeakPolarHBondContact O-CA 3.43Å; E247-T250 PolarHBondContact O-N 3.29Å; E247-T250 PolarHBondContact O-OG1 3.35Å; E247-T251 PolarHBondContact O-N 2.65Å; E247-T251 PolarHBondContact O-OG1 3.43Å
248	A	90.1	Very high	87.7	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-38	178	0	0	0	0	0	111.9	W244 T251 A252 L281 L329	W244-A248 HydrophobicContact CH2-CB 4.3Å; W244-A248 HydrophobicContact CZ2-CB 3.91Å; W244-A248 WeakPolarHBondContact O-CB 3.27Å; W244-A248 PolarHBondContact O-N 3.5Å; A248-T251 PolarHBondContact O-N 3.21Å; A248-A252 WeakPolarHBondContact O-CB 3.42Å; A248-A252 PolarHBondContact O-N 2.92Å; A248-L281 HydrophobicContact CB-CD1 4.25Å; A248-L329 HydrophobicContact CB-CD1 4.28Å; A248-L329 HydrophobicContact CB-CD2 3.65Å; A248-L329 WeakPolarHBondContact O-CD1 3.39Å
249	E	89.2	Confident	86.7	Confident	37 Å²	37	47.7 Å²	47.7	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-40.3	172.4	-178.5	171.1	-158.3	0	0	112.3	L245 T246 E247 A252 N253 K332	L245-E249 WeakPolarHBondContact O-CB 3.35Å; L245-E249 PolarHBondContact O-N 3.06Å; T246-E249 PolarHBondContact O-N 2.83Å; E247-E249 VanDerWaalsContact C-N 3.29Å; E247-E249 PolarHBondContact O-N 3.4Å; E249-A252 PolarHBondContact O-N 3.48Å; E249-N253 WeakPolarHBondContact O-CB 3.38Å; E249-N253 PolarHBondContact O-N 2.69Å; E249-N253 PolarHBondContact O-ND2 2.98Å; E249-N253 VanDerWaalsContact O-ND2 3.12Å; E249-K332 IonicContact OE1-NZ 2.81Å; E249-K332 PolarHBondContact OE1-NZ 2.96Å
250	T	88.3	Confident	85.8	Confident	78 Å²	78	50.2 Å²	50.2	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-42.9	174.1	55.8	0	0	0	0	112.1	T246 E247 A252 N253 V254	T246-T250 WeakPolarHBondContact O-CG2 3.46Å; T246-T250 PolarHBondContact O-N 3Å; E247-T250 WeakPolarHBondContact CA-OG1 3.22Å; E247-T250 WeakPolarHBondContact O-CA 3.43Å; E247-T250 PolarHBondContact O-N 3.29Å; E247-T250 PolarHBondContact O-OG1 3.35Å; T250-A252 PolarHBondContact O-N 2.94Å; T250-N253 PolarHBondContact O-N 3.5Å; T250-V254 WeakPolarHBondContact O-CG2 3.36Å; T250-V254 PolarHBondContact O-N 3.4Å
251	T	87.1	Confident	84.7	Confident	63 Å²	63	50 Å²	50	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-45.4	175	-56.9	0	0	0	0	111.3	E247 A248 N253 V254 L255 L281	E247-T251 PolarHBondContact O-N 2.65Å; E247-T251 PolarHBondContact O-OG1 3.43Å; A248-T251 PolarHBondContact O-N 3.21Å; T251-N253 PolarHBondContact O-N 3.23Å; T251-V254 PolarHBondContact O-N 3.22Å; T251-L255 HydrophobicContact CG2-CD1 4.07Å; T251-L255 WeakPolarHBondContact O-CB 3.28Å; T251-L255 WeakPolarHBondContact O-CG 3.39Å; T251-L255 PolarHBondContact O-N 3.39Å; T251-L281 HydrophobicContact CG2-CD1 4.21Å; T251-L281 HydrophobicContact CG2-CD2 4.49Å
252	A	87.5	Confident	82.7	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-41.1	177	0	0	0	0	0	112.6	A248 E249 T250 L255 Q256 L281 L329 K332 I336	A248-A252 WeakPolarHBondContact O-CB 3.42Å; A248-A252 PolarHBondContact O-N 2.92Å; E249-A252 PolarHBondContact O-N 3.48Å; T250-A252 PolarHBondContact O-N 2.94Å; A252-L255 PolarHBondContact O-N 3.24Å; A252-Q256 VanDerWaalsContact O-CB 3.27Å; A252-Q256 WeakPolarHBondContact O-CB 3.31Å; A252-Q256 PolarHBondContact O-N 3.38Å; A252-L281 HydrophobicContact CB-CD2 3.71Å; A252-L329 HydrophobicContact CB-CD1 3.55Å; A252-K332 HydrophobicContact CB-CB 4.34Å; A252-I336 WeakPolarHBondContact O-CD1 3.31Å
253	N	87.8	Confident	80.9	Confident	52 Å²	52	66.6 Å²	66.6	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-65.4	-44.3	176.8	-68.6	-30.9	0	0	0	111.3	E249 T250 T251 L255 Q256 D257 K332	E249-N253 WeakPolarHBondContact O-CB 3.38Å; E249-N253 PolarHBondContact O-N 2.69Å; E249-N253 PolarHBondContact O-ND2 2.98Å; E249-N253 VanDerWaalsContact O-ND2 3.12Å; T250-N253 PolarHBondContact O-N 3.5Å; T251-N253 PolarHBondContact O-N 3.23Å; N253-L255 PolarHBondContact O-N 3.46Å; N253-Q256 PolarHBondContact O-N 2.71Å; N253-D257 WeakPolarHBondContact O-CB 3.46Å; N253-D257 PolarHBondContact O-N 3.43Å; N253-K332 WeakPolarHBondContact OD1-CE 3.25Å; N253-K332 PolarHBondContact OD1-NZ 3.44Å
254	V	87.1	Confident	79	Confident	100 Å²	100	67.4 Å²	67.4	61%	0.606	33%	0.326	S	S	*	.	H	α-helix	trans	-61	-44.8	176.5	170.6	0	0	0	0	111	T250 T251 D257 A258	T250-V254 WeakPolarHBondContact O-CG2 3.36Å; T250-V254 PolarHBondContact O-N 3.4Å; T251-V254 PolarHBondContact O-N 3.22Å; V254-D257 PolarHBondContact O-N 2.85Å; V254-A258 VanDerWaalsContact O-CB 3.29Å; V254-A258 WeakPolarHBondContact O-CB 3.41Å; V254-A258 PolarHBondContact O-N 3.49Å
255	L	83.3	Confident	77	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-43.2	176.3	-73	173.3	0	0	0	111.7	T251 A252 N253 D257 A258 T259 L274 Q277 L281 I336	T251-L255 HydrophobicContact CG2-CD1 4.07Å; T251-L255 WeakPolarHBondContact O-CB 3.28Å; T251-L255 WeakPolarHBondContact O-CG 3.39Å; T251-L255 PolarHBondContact O-N 3.39Å; A252-L255 PolarHBondContact O-N 3.24Å; N253-L255 PolarHBondContact O-N 3.46Å; L255-D257 PolarHBondContact O-N 3.49Å; L255-A258 PolarHBondContact O-N 2.98Å; L255-T259 WeakPolarHBondContact O-CG2 3.15Å; L255-T259 PolarHBondContact O-N 2.86Å; L255-T259 PolarHBondContact O-OG1 3.42Å; L255-L274 HydrophobicContact CD2-CD2 3.99Å; L255-Q277 HydrophobicContact CD1-CB 4.33Å; L255-Q277 HydrophobicContact CD2-CB 3.57Å; L255-L281 HydrophobicContact CD1-CB 4.18Å; L255-L281 HydrophobicContact CD1-CD2 3.81Å; L255-I336 HydrophobicContact CB-CD1 3.91Å
256	Q	82.6	Confident	74.8	Confident	24 Å²	24	70.8 Å²	70.8	11%	0.112	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-45.5	176.1	-177.1	167.4	66.5	0	0	112	A252 N253 A258 T259 R260 I336	A252-Q256 VanDerWaalsContact O-CB 3.27Å; A252-Q256 WeakPolarHBondContact O-CB 3.31Å; A252-Q256 PolarHBondContact O-N 3.38Å; N253-Q256 PolarHBondContact O-N 2.71Å; Q256-A258 VanDerWaalsContact C-N 3.34Å; Q256-T259 WeakPolarHBondContact CA-OG1 3.29Å; Q256-T259 PolarHBondContact O-N 2.64Å; Q256-T259 PolarHBondContact O-OG1 2.97Å; Q256-R260 WeakPolarHBondContact O-CG 3.48Å; Q256-R260 PolarHBondContact O-N 3.36Å; Q256-R260 VanDerWaalsContact O-N 3.09Å; Q256-I336 HydrophobicContact CB-CD1 3.98Å; Q256-I336 HydrophobicContact CB-CG1 3.94Å; Q256-I336 HydrophobicContact CG-CG1 4.48Å
257	D	81.5	Confident	73	Confident	88 Å²	88	70 Å²	70	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-35.7	177.3	-72.9	-18.9	0	0	0	112	N253 V254 L255 R260 K261	N253-D257 WeakPolarHBondContact O-CB 3.46Å; N253-D257 PolarHBondContact O-N 3.43Å; V254-D257 PolarHBondContact O-N 2.85Å; L255-D257 PolarHBondContact O-N 3.49Å; D257-R260 PolarHBondContact O-N 3.44Å; D257-K261 PolarHBondContact O-N 2.73Å
258	A	76.6	Confident	71	Confident	17 Å²	17	66.5 Å²	66.5	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-39.8	172.8	0	0	0	0	0	111.9	V254 L255 Q256 R260 K261 L274	V254-A258 VanDerWaalsContact O-CB 3.29Å; V254-A258 WeakPolarHBondContact O-CB 3.41Å; V254-A258 PolarHBondContact O-N 3.49Å; L255-A258 PolarHBondContact O-N 2.98Å; Q256-A258 VanDerWaalsContact C-N 3.34Å; A258-R260 PolarHBondContact O-N 3.03Å; A258-K261 PolarHBondContact O-N 3.35Å; A258-L274 HydrophobicContact CB-CD1 4.48Å; A258-L274 HydrophobicContact CB-CD2 3.62Å
259	T	68.6	Low	69.5	Low	4 Å²	4	71.6 Å²	71.6	3%	0.025	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-18.2	173.2	57.7	0	0	0	0	113.9	L255 Q256 L265 I336 L340	L255-T259 WeakPolarHBondContact O-CG2 3.15Å; L255-T259 PolarHBondContact O-N 2.86Å; L255-T259 PolarHBondContact O-OG1 3.42Å; Q256-T259 WeakPolarHBondContact CA-OG1 3.29Å; Q256-T259 PolarHBondContact O-N 2.64Å; Q256-T259 PolarHBondContact O-OG1 2.97Å; T259-L265 WeakPolarHBondContact O-CD1 2.78Å; T259-L265 WeakPolarHBondContact O-CG 3.5Å; T259-I336 HydrophobicContact CG2-CG2 3.86Å; T259-L340 HydrophobicContact CG2-CD1 3.92Å; T259-L340 HydrophobicContact CG2-CD2 3.81Å; T259-L340 HydrophobicContact CG2-CG 3.8Å
260	R	68.3	Low	68.3	Low	154 Å²	154	70.3 Å²	70.3	58%	0.581	35%	0.346	S	S	*	.	H	α-helix	trans	-91.6	-14.1	176.6	-72.8	172.5	176.8	171.7	0.3	113.6	Q256 D257 A258 E262	Q256-R260 WeakPolarHBondContact O-CG 3.48Å; Q256-R260 PolarHBondContact O-N 3.36Å; Q256-R260 VanDerWaalsContact O-N 3.09Å; D257-R260 PolarHBondContact O-N 3.44Å; A258-R260 PolarHBondContact O-N 3.03Å; R260-E262 PolarHBondContact O-N 3.25Å; R260-E262 VanDerWaalsContact O-N 3.16Å
261	K	66.9	Low	67.4	Low	135 Å²	135	67.8 Å²	67.8	59%	0.587	33%	0.331	S	S	*	.			trans	-76.3	99.2	172.8	-76.3	176.2	-178	173.8	0	108.7	D257 A258 R263 L264	D257-K261 PolarHBondContact O-N 2.73Å; A258-K261 PolarHBondContact O-N 3.35Å; K261-R263 PolarHBondContact O-N 2.87Å; K261-R263 VanDerWaalsContact O-N 3.08Å; K261-L264 HydrophobicContact CB-CD1 4.19Å; K261-L264 HydrophobicContact CD-CD1 4.21Å; K261-L264 PolarHBondContact O-N 3.44Å
262	E	50.3	Low	66.6	Low	152 Å²	152	71.9 Å²	71.9	71%	0.71	34%	0.343	S	S	*	.	H	α-helix	trans	-44.3	-44.1	-178.3	-81.1	171.6	151.4	0	0	113.3	R260 L264 L265 E266	R260-E262 PolarHBondContact O-N 3.25Å; R260-E262 VanDerWaalsContact O-N 3.16Å; E262-L264 PolarHBondContact O-N 3.47Å; E262-L264 VanDerWaalsContact O-N 3.1Å; E262-L265 PolarHBondContact O-N 3.02Å; E262-L265 VanDerWaalsContact O-N 3.12Å; E262-E266 PolarHBondContact O-N 3.49Å
263	R	50.1	Low	66.2	Low	222 Å²	222	76.1 Å²	76.1	84%	0.838	36%	0.363	S	S	*	.	H	α-helix	trans	-58.8	-24.3	179.3	-65.2	-176.1	-178.5	180	-1.5	115.3	K261	K261-R263 PolarHBondContact O-N 2.87Å; K261-R263 VanDerWaalsContact O-N 3.08Å
264	L	49.6	Very low	65.8	Low	69 Å²	69	74.3 Å²	74.3	36%	0.361	35%	0.353	S	S	.	.	H	α-helix	trans	-91.6	-22.2	179.7	-77.4	168.1	0	0	0	113	K261 E262 E266	K261-L264 HydrophobicContact CB-CD1 4.19Å; K261-L264 HydrophobicContact CD-CD1 4.21Å; K261-L264 PolarHBondContact O-N 3.44Å; E262-L264 PolarHBondContact O-N 3.47Å; E262-L264 VanDerWaalsContact O-N 3.1Å; L264-E266 VanDerWaalsContact C-N 3.29Å
265	L	51.7	Low	65.5	Low	34 Å²	34	71.8 Å²	71.8	18%	0.178	34%	0.335	C	S	.	.	H	α-helix	trans	-77.1	-20.4	173.3	-70.8	178.1	0	0	0	112.6	T259 E262 V271 L340	T259-L265 WeakPolarHBondContact O-CD1 2.78Å; T259-L265 WeakPolarHBondContact O-CG 3.5Å; E262-L265 PolarHBondContact O-N 3.02Å; E262-L265 VanDerWaalsContact O-N 3.12Å; L265-V271 HydrophobicContact CD2-CG2 4.3Å; L265-V271 WeakPolarHBondContact O-CG2 3.41Å; L265-L340 HydrophobicContact CD2-CD2 3.72Å
266	E	44.6	Very low	65.5	Low	65 Å²	65	76.7 Å²	76.7	30%	0.304	36%	0.356	S	S	.	.	S	Bend	trans	-75.8	-29.4	173.5	-68.2	170.2	-172.7	0	0	111.1	E262 L264 S268 P417 A437	E262-E266 PolarHBondContact O-N 3.49Å; L264-E266 VanDerWaalsContact C-N 3.29Å; E266-S268 PolarHBondContact O-N 2.95Å; E266-P417 WeakPolarHBondContact OE1-CD 3.47Å; E266-A437 WeakPolarHBondContact O-CB 3.38Å
267	D	51.8	Low	65.7	Low	42 Å²	42	79.2 Å²	79.2	23%	0.225	37%	0.368	C	S	.	.			trans	-78.7	112.3	177.2	178.7	7.2	0	0	0	112.2	K269 G270 V271 P433	D267-K269 VanDerWaalsContact C-N 3.25Å; D267-K269 PolarHBondContact O-N 3.5Å; D267-K269 PolarHBondContact OD1-N 2.89Å; D267-G270 CarbonylContact O-C 3.59Å; D267-G270 WeakPolarHBondContact O-CA 3.47Å; D267-G270 PolarHBondContact O-N 3.28Å; D267-G270 PolarHBondContact OD1-N 3.42Å; D267-G270 PolarHBondContact OD2-N 3.46Å; D267-G270 VanDerWaalsContact OD2-N 3.14Å; D267-V271 WeakPolarHBondContact O-CG2 3.4Å; D267-V271 PolarHBondContact O-N 3.44Å; D267-P433 WeakPolarHBondContact OD1-CB 3.33Å
268	S	47.6	Very low	66	Low	55 Å²	55	76.3 Å²	76.3	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-28.2	176.4	-178	0	0	0	0	114.2	E266 K272	E266-S268 PolarHBondContact O-N 2.95Å; S268-K272 WeakPolarHBondContact O-CB 3.18Å; S268-K272 VanDerWaalsContact O-CG 3.28Å; S268-K272 WeakPolarHBondContact O-CG 3.47Å; S268-K272 PolarHBondContact O-N 3.32Å
269	K	59.5	Low	66.6	Low	108 Å²	108	80.8 Å²	80.8	47%	0.47	37%	0.369	S	S	.	.	H	α-helix	trans	-76.6	-42.1	170.7	-75.6	-166	-171.8	171.9	0	110.7	D267 K272 E273 P433	D267-K269 VanDerWaalsContact C-N 3.25Å; D267-K269 PolarHBondContact O-N 3.5Å; D267-K269 PolarHBondContact OD1-N 2.89Å; K269-K272 PolarHBondContact O-N 3.09Å; K269-E273 WeakPolarHBondContact O-CB 3.48Å; K269-E273 PolarHBondContact O-N 2.89Å; K269-P433 HydrophobicContact CB-CB 4.34Å; K269-P433 HydrophobicContact CB-CG 4.38Å; K269-P433 HydrophobicContact CD-CB 4.43Å; K269-P433 HydrophobicContact CD-CG 3.86Å; K269-P433 HydrophobicContact CG-CB 4.35Å; K269-P433 HydrophobicContact CG-CG 4.31Å
270	G	64.6	Low	67.5	Low	11 Å²	11	84.7 Å²	84.7	11%	0.113	39%	0.389	C	S	.	.	H	α-helix	trans	-55.4	-49.3	173.1	0	0	0	0	0	112.8	D267 K272 E273 L274	D267-G270 CarbonylContact O-C 3.59Å; D267-G270 WeakPolarHBondContact O-CA 3.47Å; D267-G270 PolarHBondContact O-N 3.28Å; D267-G270 PolarHBondContact OD1-N 3.42Å; D267-G270 PolarHBondContact OD2-N 3.46Å; D267-G270 VanDerWaalsContact OD2-N 3.14Å; G270-K272 PolarHBondContact O-N 3.3Å; G270-E273 PolarHBondContact O-N 3.44Å; G270-L274 WeakPolarHBondContact O-CB 3.39Å; G270-L274 WeakPolarHBondContact O-CG 3.49Å; G270-L274 PolarHBondContact O-N 2.91Å
271	V	68	Low	68.5	Low	25 Å²	25	77.5 Å²	77.5	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-38.9	176.1	173.6	0	0	0	0	112.1	L265 D267 M275 L340	L265-V271 HydrophobicContact CD2-CG2 4.3Å; L265-V271 WeakPolarHBondContact O-CG2 3.41Å; D267-V271 WeakPolarHBondContact O-CG2 3.4Å; D267-V271 PolarHBondContact O-N 3.44Å; V271-M275 HydrophobicContact CG1-CG 4.47Å; V271-M275 VanDerWaalsContact O-CB 3.28Å; V271-M275 WeakPolarHBondContact O-CB 3.48Å; V271-M275 VanDerWaalsContact O-CG 3.25Å; V271-M275 WeakPolarHBondContact O-CG 3.42Å; V271-M275 PolarHBondContact O-N 2.84Å; V271-L340 HydrophobicContact CG1-CD2 4.15Å
272	K	71.6	Confident	69.6	Low	149 Å²	149	73.3 Å²	73.3	65%	0.648	35%	0.345	S	S	*	.	H	α-helix	trans	-67.4	-40.2	175.7	-80	-179.1	-178.9	-173.4	0	112.4	S268 K269 G270 M275 K276	S268-K272 WeakPolarHBondContact O-CB 3.18Å; S268-K272 VanDerWaalsContact O-CG 3.28Å; S268-K272 WeakPolarHBondContact O-CG 3.47Å; S268-K272 PolarHBondContact O-N 3.32Å; K269-K272 PolarHBondContact O-N 3.09Å; G270-K272 PolarHBondContact O-N 3.3Å; K272-M275 PolarHBondContact O-N 3.41Å; K272-K276 WeakPolarHBondContact O-CB 3.14Å; K272-K276 PolarHBondContact O-N 2.96Å
273	E	77.3	Confident	71.4	Confident	88 Å²	88	67.8 Å²	67.8	41%	0.411	33%	0.329	S	S	.	.	H	α-helix	trans	-68.6	-41.2	176.6	-174.6	57.4	-152.2	0	0	110.7	K269 G270 K276 Q277	K269-E273 WeakPolarHBondContact O-CB 3.48Å; K269-E273 PolarHBondContact O-N 2.89Å; G270-E273 PolarHBondContact O-N 3.44Å; E273-K276 PolarHBondContact O-N 3.48Å; E273-Q277 WeakPolarHBondContact O-CB 3.16Å; E273-Q277 VanDerWaalsContact O-CG 3.26Å; E273-Q277 WeakPolarHBondContact O-CG 3.02Å; E273-Q277 PolarHBondContact O-N 2.89Å; E273-Q277 PolarHBondContact OE1-NE2 2.91Å
274	L	80.9	Confident	73.3	Confident	14 Å²	14	61.4 Å²	61.4	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-38.7	173.1	-71.1	171.8	0	0	0	112.4	L255 A258 G270 Q277 W278 L340	L255-L274 HydrophobicContact CD2-CD2 3.99Å; A258-L274 HydrophobicContact CB-CD1 4.48Å; A258-L274 HydrophobicContact CB-CD2 3.62Å; G270-L274 WeakPolarHBondContact O-CB 3.39Å; G270-L274 WeakPolarHBondContact O-CG 3.49Å; G270-L274 PolarHBondContact O-N 2.91Å; L274-Q277 PolarHBondContact O-N 2.74Å; L274-W278 VanDerWaalsContact O-CB 3.28Å; L274-W278 WeakPolarHBondContact O-CB 3.45Å; L274-W278 PolarHBondContact O-N 2.88Å; L274-L340 HydrophobicContact CB-CD1 4.4Å; L274-L340 HydrophobicContact CB-CD2 4.26Å
275	M	80.3	Confident	75.3	Confident	48 Å²	48	58.3 Å²	58.3	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-41	172.5	-82.3	-71.7	-78.6	0	0	111.6	V271 K272 W278 Q279 L340	V271-M275 HydrophobicContact CG1-CG 4.47Å; V271-M275 VanDerWaalsContact O-CB 3.28Å; V271-M275 WeakPolarHBondContact O-CB 3.48Å; V271-M275 VanDerWaalsContact O-CG 3.25Å; V271-M275 WeakPolarHBondContact O-CG 3.42Å; V271-M275 PolarHBondContact O-N 2.84Å; K272-M275 PolarHBondContact O-N 3.41Å; M275-W278 PolarHBondContact O-N 3.19Å; M275-W278 HydrophobicContact SD-CE3 4.47Å; M275-Q279 WeakPolarHBondContact O-CG 3.48Å; M275-Q279 PolarHBondContact O-N 3.2Å; M275-L340 HydrophobicContact CG-CB 4.21Å; M275-L340 HydrophobicContact CG-CD1 4.05Å; M275-L340 HydrophobicContact SD-CB 3.63Å; M275-L340 HydrophobicContact SD-CD1 3.78Å; M275-L340 HydrophobicContact SD-CG 4.3Å
276	K	83.9	Confident	77.1	Confident	106 Å²	106	62.2 Å²	62.2	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-47.4	176	-175	-171.6	169.9	-162.4	0	111.2	K272 E273 W278 Q279 D280	K272-K276 WeakPolarHBondContact O-CB 3.14Å; K272-K276 PolarHBondContact O-N 2.96Å; E273-K276 PolarHBondContact O-N 3.48Å; K276-W278 VanDerWaalsContact C-N 3.28Å; K276-W278 PolarHBondContact O-N 3.43Å; K276-Q279 CarbonylContact O-C 3.56Å; K276-Q279 WeakPolarHBondContact O-CA 3.35Å; K276-Q279 WeakPolarHBondContact O-CB 3.48Å; K276-Q279 PolarHBondContact O-N 3.02Å; K276-D280 VanDerWaalsContact O-CG 3.29Å; K276-D280 PolarHBondContact O-N 3.43Å
277	Q	84.9	Confident	79.2	Confident	77 Å²	77	62.4 Å²	62.4	36%	0.36	32%	0.322	S	S	.	.	H	α-helix	trans	-64.4	-34	177.6	-68.2	173.1	11	0	0	112.1	L255 E273 L274 L281	L255-Q277 HydrophobicContact CD1-CB 4.33Å; L255-Q277 HydrophobicContact CD2-CB 3.57Å; E273-Q277 WeakPolarHBondContact O-CB 3.16Å; E273-Q277 VanDerWaalsContact O-CG 3.26Å; E273-Q277 WeakPolarHBondContact O-CG 3.02Å; E273-Q277 PolarHBondContact O-N 2.89Å; E273-Q277 PolarHBondContact OE1-NE2 2.91Å; L274-Q277 PolarHBondContact O-N 2.74Å; Q277-L281 WeakPolarHBondContact O-CB 3.47Å; Q277-L281 PolarHBondContact O-N 3.16Å
278	W	89.6	Confident	81.1	Confident	27 Å²	27	63.1 Å²	63.1	10%	0.102	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-42.4	169.3	169.8	76.3	0	0	0	112.1	L274 M275 K276 L281 Q282 S333 I336 R337	L274-W278 VanDerWaalsContact O-CB 3.28Å; L274-W278 WeakPolarHBondContact O-CB 3.45Å; L274-W278 PolarHBondContact O-N 2.88Å; M275-W278 PolarHBondContact O-N 3.19Å; M275-W278 HydrophobicContact SD-CE3 4.47Å; K276-W278 VanDerWaalsContact C-N 3.28Å; K276-W278 PolarHBondContact O-N 3.43Å; W278-L281 PolarHBondContact O-N 3.03Å; W278-Q282 HydrophobicContact CH2-CG 4.36Å; W278-Q282 HydrophobicContact CZ2-CB 4.08Å; W278-Q282 HydrophobicContact CZ2-CG 4Å; W278-Q282 VanDerWaalsContact O-CB 3.28Å; W278-Q282 WeakPolarHBondContact O-CB 3.36Å; W278-Q282 PolarHBondContact O-N 2.72Å; W278-S333 PolarHBondContact NE1-O 3.01Å; W278-S333 PolarHBondContact NE1-OG 2.98Å; W278-I336 HydrophobicContact CB-CG2 4.11Å; W278-I336 HydrophobicContact CG-CG2 4.02Å; W278-R337 HydrophobicContact CD2-CB 4.27Å; W278-R337 HydrophobicContact CH2-CB 4.26Å; W278-R337 VanDerWaalsContact CH2-CD 3.43Å; W278-R337 HydrophobicContact CH2-CG 3.89Å; W278-R337 HydrophobicContact CZ2-CB 3.72Å; W278-R337 VanDerWaalsContact CZ2-CD 3.5Å; W278-R337 HydrophobicContact CZ2-CG 3.86Å; W278-R337 HydrophobicContact CZ3-CG 4.29Å
279	Q	87.7	Confident	83.2	Confident	112 Å²	112	62.1 Å²	62.1	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-41.4	175.1	-77.6	174.1	-18.5	0	0	112	M275 K276 Q282 G283	M275-Q279 WeakPolarHBondContact O-CG 3.48Å; M275-Q279 PolarHBondContact O-N 3.2Å; K276-Q279 CarbonylContact O-C 3.56Å; K276-Q279 WeakPolarHBondContact O-CA 3.35Å; K276-Q279 WeakPolarHBondContact O-CB 3.48Å; K276-Q279 PolarHBondContact O-N 3.02Å; Q279-Q282 PolarHBondContact O-N 3.19Å; Q279-G283 PolarHBondContact O-N 3.46Å
280	D	88.3	Confident	84.5	Confident	86 Å²	86	63.2 Å²	63.2	46%	0.46	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-47.9	176.4	-66	-24.5	0	0	0	110	K276 Q282 G283 E284	K276-D280 VanDerWaalsContact O-CG 3.29Å; K276-D280 PolarHBondContact O-N 3.43Å; D280-Q282 PolarHBondContact O-N 2.93Å; D280-G283 PolarHBondContact O-N 3.44Å; D280-E284 PolarHBondContact O-N 3.13Å
281	L	89.1	Confident	85.7	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-41.8	174.3	176.7	64	0	0	0	112.5	A248 T251 A252 L255 Q277 W278 G283 E284 I285	A248-L281 HydrophobicContact CB-CD1 4.25Å; T251-L281 HydrophobicContact CG2-CD1 4.21Å; T251-L281 HydrophobicContact CG2-CD2 4.49Å; A252-L281 HydrophobicContact CB-CD2 3.71Å; L255-L281 HydrophobicContact CD1-CB 4.18Å; L255-L281 HydrophobicContact CD1-CD2 3.81Å; Q277-L281 WeakPolarHBondContact O-CB 3.47Å; Q277-L281 PolarHBondContact O-N 3.16Å; W278-L281 PolarHBondContact O-N 3.03Å; L281-G283 VanDerWaalsContact C-N 3.34Å; L281-E284 PolarHBondContact O-N 3.22Å; L281-I285 HydrophobicContact CD1-CD1 4.46Å; L281-I285 HydrophobicContact CG-CD1 4.19Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 3.11Å
282	Q	90.8	Very high	86.8	Confident	48 Å²	48	66.1 Å²	66.1	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-40.2	178.4	-178.7	58.8	31.3	0	0	111.2	W278 Q279 D280 I285 E286 S333	W278-Q282 HydrophobicContact CH2-CG 4.36Å; W278-Q282 HydrophobicContact CZ2-CB 4.08Å; W278-Q282 HydrophobicContact CZ2-CG 4Å; W278-Q282 VanDerWaalsContact O-CB 3.28Å; W278-Q282 WeakPolarHBondContact O-CB 3.36Å; W278-Q282 PolarHBondContact O-N 2.72Å; Q279-Q282 PolarHBondContact O-N 3.19Å; D280-Q282 PolarHBondContact O-N 2.93Å; Q282-I285 PolarHBondContact O-N 3.48Å; Q282-E286 PolarHBondContact NE2-OE1 3.36Å; Q282-E286 WeakPolarHBondContact O-CG 3.3Å; Q282-E286 PolarHBondContact O-N 2.87Å; Q282-S333 PolarHBondContact OE1-OG 3.47Å
283	G	88.5	Confident	87.7	Confident	36 Å²	36	63.6 Å²	63.6	37%	0.371	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-39.7	172.9	0	0	0	0	0	112.6	Q279 D280 L281 E286 A287	Q279-G283 PolarHBondContact O-N 3.46Å; D280-G283 PolarHBondContact O-N 3.44Å; L281-G283 VanDerWaalsContact C-N 3.34Å; G283-E286 PolarHBondContact O-N 3.1Å; G283-A287 WeakPolarHBondContact O-CB 3.26Å; G283-A287 PolarHBondContact O-N 3.07Å
284	E	89.8	Confident	88.2	Confident	88 Å²	88	63.7 Å²	63.7	41%	0.411	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-42.4	173.9	-73.8	-177	-161.3	0	0	112.5	W244 D280 L281 E286 A287 H288	W244-E284 HydrophobicContact CZ2-CB 4.37Å; D280-E284 PolarHBondContact O-N 3.13Å; L281-E284 PolarHBondContact O-N 3.22Å; E284-E286 VanDerWaalsContact C-N 3.35Å; E284-A287 PolarHBondContact O-N 3.34Å; E284-H288 PolarHBondContact O-N 2.91Å; E284-H288 PolarHBondContact O-ND1 2.83Å
285	I	90.4	Very high	88.6	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-45.8	175.3	-68.8	166.6	0	0	0	110.2	L281 Q282 H288 T289 W326 L329 R330	L281-I285 HydrophobicContact CD1-CD1 4.46Å; L281-I285 HydrophobicContact CG-CD1 4.19Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 3.11Å; Q282-I285 PolarHBondContact O-N 3.48Å; I285-H288 PolarHBondContact O-N 3.42Å; I285-T289 PolarHBondContact O-N 2.84Å; I285-T289 VanDerWaalsContact O-N 3.12Å; I285-T289 PolarHBondContact O-OG1 3.47Å; I285-W326 HydrophobicContact CG2-CH2 3.89Å; I285-W326 HydrophobicContact CG2-CZ2 4.38Å; I285-W326 HydrophobicContact CG2-CZ3 4.31Å; I285-W326 VanDerWaalsContact O-CH2 3.32Å; I285-W326 WeakPolarHBondContact O-CH2 3.34Å; I285-L329 HydrophobicContact CD1-CD1 4.18Å; I285-L329 HydrophobicContact CD1-CD2 4.23Å; I285-L329 HydrophobicContact CD1-CG 3.84Å; I285-L329 HydrophobicContact CG1-CD2 3.95Å; I285-L329 HydrophobicContact CG1-CG 4.13Å; I285-R330 HydrophobicContact CG2-CG 4.09Å
286	E	89.3	Confident	88.9	Confident	116 Å²	116	63 Å²	63	54%	0.542	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-45.5	179	-74	168.9	-165.2	0	0	111.7	Q282 G283 E284 H288 T289	Q282-E286 PolarHBondContact NE2-OE1 3.36Å; Q282-E286 WeakPolarHBondContact O-CG 3.3Å; Q282-E286 PolarHBondContact O-N 2.87Å; G283-E286 PolarHBondContact O-N 3.1Å; E284-E286 VanDerWaalsContact C-N 3.35Å; E286-H288 PolarHBondContact O-N 3.22Å; E286-T289 WeakPolarHBondContact O-CB 3.5Å; E286-T289 PolarHBondContact O-N 2.92Å; E286-T289 VanDerWaalsContact O-N 3.11Å; E286-T289 PolarHBondContact O-OG1 3.02Å
287	A	89.4	Confident	89.1	Confident	69 Å²	69	63.6 Å²	63.6	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-59.6	-30.6	178.1	0	0	0	0	0	113.5	G283 E284	G283-A287 WeakPolarHBondContact O-CB 3.26Å; G283-A287 PolarHBondContact O-N 3.07Å; E284-A287 PolarHBondContact O-N 3.34Å
288	H	91.1	Very high	89.1	Confident	57 Å²	57	61.2 Å²	61.2	26%	0.264	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.8	-179.2	-69.7	85.7	0	0	0	113.8	F241 W244 E284 I285 E286 V291 Y292	F241-H288 HydrophobicContact CE2-CB 4.11Å; W244-H288 AromaticContact CD1-CE1 3.93Å; W244-H288 AromaticContact CD1-NE2 3.92Å; W244-H288 HydrophobicContact CD2-CB 4.31Å; W244-H288 AromaticContact CD2-CD2 3.81Å; W244-H288 AromaticContact CD2-CG 3.83Å; W244-H288 AromaticContact CE2-CD2 3.95Å; W244-H288 AromaticContact CE2-CE1 3.75Å; W244-H288 AromaticContact CE2-CG 3.6Å; W244-H288 AromaticContact CE2-ND1 3.47Å; W244-H288 HydrophobicContact CE3-CB 4.08Å; W244-H288 HydrophobicContact CH2-CB 3.54Å; W244-H288 AromaticContact CH2-CG 3.96Å; W244-H288 HydrophobicContact CZ2-CB 3.76Å; W244-H288 AromaticContact CZ2-CG 3.67Å; W244-H288 AromaticContact CZ2-ND1 3.55Å; W244-H288 HydrophobicContact CZ3-CB 3.7Å; W244-H288 AromaticContact NE1-CE1 3.51Å; W244-H288 AromaticContact NE1-ND1 3.67Å; W244-H288 AromaticContact NE1-NE2 3.91Å; E284-H288 PolarHBondContact O-N 2.91Å; E284-H288 PolarHBondContact O-ND1 2.83Å; I285-H288 PolarHBondContact O-N 3.42Å; E286-H288 PolarHBondContact O-N 3.22Å; H288-V291 PolarHBondContact O-N 2.93Å; H288-Y292 PolarHBondContact O-N 2.86Å; H288-Y292 VanDerWaalsContact O-N 3.07Å
289	T	91.3	Very high	88.9	Confident	35 Å²	35	59.9 Å²	59.9	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-40.2	179.2	-64.8	0	0	0	0	111.8	I285 E286 V291 Y292 H293 W326	I285-T289 PolarHBondContact O-N 2.84Å; I285-T289 VanDerWaalsContact O-N 3.12Å; I285-T289 PolarHBondContact O-OG1 3.47Å; E286-T289 WeakPolarHBondContact O-CB 3.5Å; E286-T289 PolarHBondContact O-N 2.92Å; E286-T289 VanDerWaalsContact O-N 3.11Å; E286-T289 PolarHBondContact O-OG1 3.02Å; T289-V291 VanDerWaalsContact C-N 3.32Å; T289-V291 PolarHBondContact O-N 3.3Å; T289-Y292 WeakPolarHBondContact O-CB 3.34Å; T289-Y292 PolarHBondContact O-N 2.77Å; T289-H293 VanDerWaalsContact CG2-CE1 3.49Å; T289-H293 WeakPolarHBondContact CG2-CE1 3.44Å; T289-H293 PolarHBondContact O-N 2.77Å; T289-H293 VanDerWaalsContact O-N 3.16Å; T289-H293 PolarHBondContact O-ND1 3.09Å; T289-W326 HydrophobicContact CG2-CZ2 4.19Å; T289-W326 WeakPolarHBondContact OG1-CH2 3.34Å; T289-W326 WeakPolarHBondContact OG1-CZ2 3.43Å
290	D	88.2	Confident	88.8	Confident	130 Å²	130	58.1 Å²	58.1	70%	0.695	31%	0.31	S	S	*	.	H	α-helix	trans	-67.8	-35	177.7	-67.9	-23.3	0	0	0	111.8	H293 N294	D290-H293 PolarHBondContact O-N 3.27Å; D290-N294 VanDerWaalsContact O-CB 3.25Å; D290-N294 WeakPolarHBondContact O-CB 3.46Å; D290-N294 PolarHBondContact O-N 3.09Å
291	V	89.3	Confident	88.4	Confident	62 Å²	62	59.4 Å²	59.4	38%	0.376	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-42.7	175.9	-177.5	0	0	0	0	110.6	F241 H288 T289 N294 L295	F241-V291 HydrophobicContact CB-CG1 4.49Å; F241-V291 HydrophobicContact CD2-CB 4.27Å; F241-V291 HydrophobicContact CD2-CG1 3.78Å; F241-V291 HydrophobicContact CE2-CB 4.45Å; F241-V291 HydrophobicContact CE2-CG1 4.42Å; F241-V291 HydrophobicContact CG-CG1 4.35Å; H288-V291 PolarHBondContact O-N 2.93Å; T289-V291 VanDerWaalsContact C-N 3.32Å; T289-V291 PolarHBondContact O-N 3.3Å; V291-N294 PolarHBondContact O-N 2.84Å; V291-L295 HydrophobicContact CG1-CD1 4.03Å; V291-L295 HydrophobicContact CG1-CG 4.5Å; V291-L295 WeakPolarHBondContact O-CB 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.28Å; V291-L295 PolarHBondContact O-N 3.45Å
292	Y	91.4	Very high	88	Confident	35 Å²	35	59.8 Å²	59.8	14%	0.137	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-52.4	173.9	170.1	-99.3	0	0	0	112.2	F241 H288 T289 N294 L295 D296 M322 N323 W326	F241-Y292 AromaticContact CE1-CD2 3.94Å; F241-Y292 HydrophobicContact CE1-CD2 3.94Å; F241-Y292 HydrophobicContact CZ-CD2 4.02Å; F241-Y292 HydrophobicContact CZ-CG 4.33Å; H288-Y292 PolarHBondContact O-N 2.86Å; H288-Y292 VanDerWaalsContact O-N 3.07Å; T289-Y292 WeakPolarHBondContact O-CB 3.34Å; T289-Y292 PolarHBondContact O-N 2.77Å; Y292-N294 PolarHBondContact O-N 2.85Å; Y292-L295 PolarHBondContact O-N 2.7Å; Y292-D296 WeakPolarHBondContact O-CB 3.41Å; Y292-D296 PolarHBondContact O-N 3.37Å; Y292-M322 HydrophobicContact CD2-CE 3.96Å; Y292-M322 HydrophobicContact CE2-CE 3.83Å; Y292-N323 WeakPolarHBondContact CE2-OD1 3.25Å; Y292-N323 PolarHBondContact OH-OD1 3.3Å; Y292-W326 AromaticContact CD1-CD1 3.99Å; Y292-W326 HydrophobicContact CD1-CZ2 4.48Å; Y292-W326 AromaticContact CD1-NE1 3.6Å; Y292-W326 HydrophobicContact CD2-CB 4.08Å; Y292-W326 AromaticContact CD2-CD1 3.77Å; Y292-W326 AromaticContact CD2-CD2 3.92Å; Y292-W326 HydrophobicContact CD2-CD2 3.92Å; Y292-W326 AromaticContact CD2-CG 3.68Å; Y292-W326 HydrophobicContact CD2-CG 3.68Å; Y292-W326 AromaticContact CE1-CD1 3.76Å; Y292-W326 AromaticContact CE1-NE1 3.68Å; Y292-W326 HydrophobicContact CE2-CB 3.88Å; Y292-W326 AromaticContact CE2-CD1 3.51Å; Y292-W326 HydrophobicContact CE2-CD2 4.39Å; Y292-W326 AromaticContact CE2-CG 3.68Å; Y292-W326 HydrophobicContact CE2-CG 3.68Å; Y292-W326 HydrophobicContact CG-CD2 4.02Å; Y292-W326 AromaticContact CG-CE2 3.85Å; Y292-W326 HydrophobicContact CG-CG 4.14Å; Y292-W326 HydrophobicContact CG-CZ2 4.34Å; Y292-W326 AromaticContact CG-NE1 3.81Å; Y292-W326 AromaticContact CZ-CD1 3.52Å; Y292-W326 AromaticContact CZ-NE1 3.95Å
293	H	89.9	Confident	87.6	Confident	97 Å²	97	58.3 Å²	58.3	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-40.6	-178	-70.2	82.4	0	0	0	111.6	T289 D290 D296 E297	T289-H293 VanDerWaalsContact CG2-CE1 3.49Å; T289-H293 WeakPolarHBondContact CG2-CE1 3.44Å; T289-H293 PolarHBondContact O-N 2.77Å; T289-H293 VanDerWaalsContact O-N 3.16Å; T289-H293 PolarHBondContact O-ND1 3.09Å; D290-H293 PolarHBondContact O-N 3.27Å; H293-D296 PolarHBondContact O-N 3.14Å; H293-E297 WeakPolarHBondContact O-CB 3.4Å; H293-E297 WeakPolarHBondContact O-CG 3.4Å; H293-E297 PolarHBondContact O-N 3.04Å
294	N	87.9	Confident	87.2	Confident	90 Å²	90	65.6 Å²	65.6	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-45.9	176.7	-174.8	-37.4	0	0	0	111.6	D290 V291 Y292 N298	D290-N294 VanDerWaalsContact O-CB 3.25Å; D290-N294 WeakPolarHBondContact O-CB 3.46Å; D290-N294 PolarHBondContact O-N 3.09Å; V291-N294 PolarHBondContact O-N 2.84Å; Y292-N294 PolarHBondContact O-N 2.85Å; N294-N298 VanDerWaalsContact O-CB 3.27Å; N294-N298 WeakPolarHBondContact O-CB 3.44Å; N294-N298 PolarHBondContact O-N 3.37Å; N294-N298 PolarHBondContact O-ND2 2.89Å; N294-N298 PolarHBondContact OD1-ND2 3.41Å
295	L	88.9	Confident	86.3	Confident	5 Å²	5	63 Å²	63	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-45.5	175	-75.9	171.9	0	0	0	111.7	F234 D237 L238 F241 V291 Y292 S299 M322	F234-L295 HydrophobicContact CD2-CD2 4.03Å; F234-L295 HydrophobicContact CE2-CD2 3.94Å; F234-L295 WeakPolarHBondContact CE2-O 3.33Å; D237-L295 HydrophobicContact CB-CD2 3.82Å; L238-L295 HydrophobicContact CB-CD2 4.26Å; F241-L295 HydrophobicContact CB-CD1 3.4Å; F241-L295 VanDerWaalsContact CB-CD1 3.4Å; F241-L295 HydrophobicContact CD1-CD1 3.81Å; F241-L295 HydrophobicContact CD2-CD1 4.39Å; F241-L295 HydrophobicContact CG-CD1 3.62Å; V291-L295 HydrophobicContact CG1-CD1 4.03Å; V291-L295 HydrophobicContact CG1-CG 4.5Å; V291-L295 WeakPolarHBondContact O-CB 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.28Å; V291-L295 PolarHBondContact O-N 3.45Å; Y292-L295 PolarHBondContact O-N 2.7Å; L295-S299 WeakPolarHBondContact O-CB 3.37Å; L295-S299 PolarHBondContact O-N 3.22Å; L295-S299 PolarHBondContact O-OG 2.99Å; L295-M322 HydrophobicContact CB-SD 4.35Å; L295-M322 HydrophobicContact CD1-SD 4.38Å
296	D	86.9	Confident	85.4	Confident	41 Å²	41	64.1 Å²	64.1	22%	0.219	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-48.9	178.7	-167.7	67.9	0	0	0	111.1	Y292 H293 N298 S299 Q300 M322 N323	Y292-D296 WeakPolarHBondContact O-CB 3.41Å; Y292-D296 PolarHBondContact O-N 3.37Å; H293-D296 PolarHBondContact O-N 3.14Å; D296-N298 PolarHBondContact O-N 3.01Å; D296-S299 PolarHBondContact O-N 2.96Å; D296-S299 PolarHBondContact O-OG 3.27Å; D296-Q300 VanDerWaalsContact O-CG 3.31Å; D296-Q300 WeakPolarHBondContact O-CG 3.24Å; D296-Q300 PolarHBondContact O-N 3.33Å; D296-M322 HydrophobicContact CB-CE 4.45Å; D296-N323 PolarHBondContact OD1-ND2 2.95Å
297	E	87.8	Confident	84.5	Confident	119 Å²	119	66.8 Å²	66.8	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-61.1	-46.5	177.8	-75.9	-172.5	-177.3	0	0	113.3	H293 S299 Q300 K301	H293-E297 WeakPolarHBondContact O-CB 3.4Å; H293-E297 WeakPolarHBondContact O-CG 3.4Å; H293-E297 PolarHBondContact O-N 3.04Å; E297-S299 VanDerWaalsContact C-N 3.32Å; E297-Q300 PolarHBondContact O-N 3.03Å; E297-K301 WeakPolarHBondContact O-CG 3.47Å; E297-K301 PolarHBondContact O-N 3.27Å
298	N	85.8	Confident	83.4	Confident	27 Å²	27	67.7 Å²	67.7	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-34.6	180	-77.4	-21.2	0	0	0	111.8	L230 F234 N294 D296 Q300 K301 I302	L230-N298 HydrophobicContact CD1-CB 4.01Å; F234-N298 HydrophobicContact CD2-CB 4.12Å; F234-N298 HydrophobicContact CE2-CB 4.46Å; N294-N298 VanDerWaalsContact O-CB 3.27Å; N294-N298 WeakPolarHBondContact O-CB 3.44Å; N294-N298 PolarHBondContact O-N 3.37Å; N294-N298 PolarHBondContact O-ND2 2.89Å; N294-N298 PolarHBondContact OD1-ND2 3.41Å; D296-N298 PolarHBondContact O-N 3.01Å; N298-Q300 VanDerWaalsContact C-N 3.35Å; N298-Q300 PolarHBondContact O-N 2.87Å; N298-K301 PolarHBondContact O-N 2.83Å; N298-K301 PolarHBondContact OD1-NZ 3.41Å; N298-I302 WeakPolarHBondContact O-CG1 3.46Å; N298-I302 PolarHBondContact O-N 2.93Å
299	S	85.4	Confident	82.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-39.9	175	80.3	0	0	0	0	112.6	L295 D296 E297 K301 I302 L303 L319	L295-S299 WeakPolarHBondContact O-CB 3.37Å; L295-S299 PolarHBondContact O-N 3.22Å; L295-S299 PolarHBondContact O-OG 2.99Å; D296-S299 PolarHBondContact O-N 2.96Å; D296-S299 PolarHBondContact O-OG 3.27Å; E297-S299 VanDerWaalsContact C-N 3.32Å; S299-K301 VanDerWaalsContact C-N 3.34Å; S299-K301 PolarHBondContact O-N 3.41Å; S299-I302 PolarHBondContact O-N 2.7Å; S299-L303 WeakPolarHBondContact O-CB 3.44Å; S299-L303 VanDerWaalsContact O-CG 3.29Å; S299-L303 WeakPolarHBondContact O-CG 3.43Å; S299-L303 PolarHBondContact O-N 3.38Å; S299-L319 VanDerWaalsContact CB-CD1 3.44Å; S299-L319 VanDerWaalsContact OG-CD1 3.22Å; S299-L319 WeakPolarHBondContact OG-CD1 3.27Å; S299-L319 VanDerWaalsContact OG-CD2 3.3Å; S299-L319 WeakPolarHBondContact OG-CD2 3.35Å
300	Q	85.2	Confident	81.9	Confident	74 Å²	74	71.8 Å²	71.8	35%	0.346	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-38.4	175.7	-69.7	-67	-16.2	0	0	111.7	D296 E297 N298 R304	D296-Q300 VanDerWaalsContact O-CG 3.31Å; D296-Q300 WeakPolarHBondContact O-CG 3.24Å; D296-Q300 PolarHBondContact O-N 3.33Å; E297-Q300 PolarHBondContact O-N 3.03Å; N298-Q300 VanDerWaalsContact C-N 3.35Å; N298-Q300 PolarHBondContact O-N 2.87Å; Q300-R304 WeakPolarHBondContact O-CG 3.45Å; Q300-R304 PolarHBondContact O-N 2.92Å
301	K	80.8	Confident	81.3	Confident	113 Å²	113	70.3 Å²	70.3	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-43.7	173.9	-67.1	170.7	-167.5	159.1	0	111.4	E297 N298 S299 S305	E297-K301 WeakPolarHBondContact O-CG 3.47Å; E297-K301 PolarHBondContact O-N 3.27Å; N298-K301 PolarHBondContact O-N 2.83Å; N298-K301 PolarHBondContact OD1-NZ 3.41Å; S299-K301 VanDerWaalsContact C-N 3.34Å; S299-K301 PolarHBondContact O-N 3.41Å; K301-S305 PolarHBondContact O-N 2.96Å
302	I	80.9	Confident	80.9	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.051	35%	0.354	C	S	.	.	H	α-helix	trans	-67	-43.1	178.8	-66	167.7	0	0	0	110.8	L230 L231 F234 N298 S299 R304 S305 L306 L315	L230-I302 HydrophobicContact CD2-CG1 4.46Å; L230-I302 HydrophobicContact CG-CD1 4.38Å; L231-I302 HydrophobicContact CD2-CD1 4.28Å; L231-I302 HydrophobicContact CD2-CG1 3.98Å; L231-I302 HydrophobicContact CD2-CG2 3.95Å; F234-I302 HydrophobicContact CB-CD1 3.68Å; F234-I302 HydrophobicContact CD1-CD1 3.44Å; F234-I302 VanDerWaalsContact CD1-CD1 3.44Å; F234-I302 HydrophobicContact CD2-CD1 3.93Å; F234-I302 HydrophobicContact CE1-CD1 4.06Å; F234-I302 HydrophobicContact CE2-CD1 4.49Å; F234-I302 HydrophobicContact CG-CD1 3.37Å; N298-I302 WeakPolarHBondContact O-CG1 3.46Å; N298-I302 PolarHBondContact O-N 2.93Å; S299-I302 PolarHBondContact O-N 2.7Å; I302-R304 PolarHBondContact O-N 3.35Å; I302-S305 WeakPolarHBondContact O-CB 3.39Å; I302-S305 PolarHBondContact O-N 3.34Å; I302-S305 PolarHBondContact O-OG 3.27Å; I302-L306 HydrophobicContact CG2-CD1 3.69Å; I302-L306 HydrophobicContact CG2-CG 4.37Å; I302-L306 PolarHBondContact O-N 3.38Å; I302-L315 HydrophobicContact CB-CD2 4.27Å; I302-L315 HydrophobicContact CG2-CD2 3.76Å
303	L	82	Confident	80.5	Confident	17 Å²	17	69.7 Å²	69.7	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-58.8	-44.8	178.5	-78.4	168.7	0	0	0	112.9	S299 S305 L306 E307 A312 L315 Q316 L319	S299-L303 WeakPolarHBondContact O-CB 3.44Å; S299-L303 VanDerWaalsContact O-CG 3.29Å; S299-L303 WeakPolarHBondContact O-CG 3.43Å; S299-L303 PolarHBondContact O-N 3.38Å; L303-S305 PolarHBondContact O-N 3.06Å; L303-L306 CarbonylContact O-C 3.59Å; L303-L306 PolarHBondContact O-N 3.3Å; L303-L306 VanDerWaalsContact O-N 3.14Å; L303-E307 PolarHBondContact O-N 3.37Å; L303-A312 HydrophobicContact CD2-CB 4.1Å; L303-A312 VanDerWaalsContact CD2-O 3.25Å; L303-A312 WeakPolarHBondContact CD2-O 3.46Å; L303-L315 HydrophobicContact CD2-CB 4.15Å; L303-L315 HydrophobicContact CD2-CD2 4.12Å; L303-L315 HydrophobicContact CD2-CG 4.1Å; L303-L315 HydrophobicContact CG-CD2 4.1Å; L303-L315 HydrophobicContact CG-CG 4.36Å; L303-Q316 HydrophobicContact CD2-CB 4.27Å; L303-L319 HydrophobicContact CD1-CD1 3.59Å; L303-L319 HydrophobicContact CG-CD1 4.36Å
304	R	79.8	Confident	80.3	Confident	189 Å²	189	69.9 Å²	69.9	71%	0.713	37%	0.372	S	S	*	.	H	α-helix	trans	-59.1	-31.3	175.2	-69.7	177.4	-162.6	179.3	5.3	112.6	Q300 I302	Q300-R304 WeakPolarHBondContact O-CG 3.45Å; Q300-R304 PolarHBondContact O-N 2.92Å; I302-R304 PolarHBondContact O-N 3.35Å
305	S	70.6	Confident	80.2	Confident	35 Å²	35	66.5 Å²	66.5	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-82.4	-16.6	-179.1	80.7	0	0	0	0	114.1	K301 I302 L303	K301-S305 PolarHBondContact O-N 2.96Å; I302-S305 WeakPolarHBondContact O-CB 3.39Å; I302-S305 PolarHBondContact O-N 3.34Å; I302-S305 PolarHBondContact O-OG 3.27Å; L303-S305 PolarHBondContact O-N 3.06Å
306	L	71.6	Confident	80.1	Confident	25 Å²	25	69.4 Å²	69.4	13%	0.131	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	13.1	-178.8	-65.7	177.3	0	0	0	112.4	I302 L303 G308 S309 D311 A312	I302-L306 HydrophobicContact CG2-CD1 3.69Å; I302-L306 HydrophobicContact CG2-CG 4.37Å; I302-L306 PolarHBondContact O-N 3.38Å; L303-L306 CarbonylContact O-C 3.59Å; L303-L306 PolarHBondContact O-N 3.3Å; L303-L306 VanDerWaalsContact O-N 3.14Å; L306-G308 PolarHBondContact O-N 3.1Å; L306-S309 WeakPolarHBondContact O-CB 3.36Å; L306-S309 PolarHBondContact O-N 2.88Å; L306-S309 PolarHBondContact O-OG 3.22Å; L306-D311 HydrophobicContact CD1-CB 4.47Å; L306-A312 HydrophobicContact CB-CB 3.89Å; L306-A312 VanDerWaalsContact O-CB 3.29Å; L306-A312 WeakPolarHBondContact O-CB 3.45Å
307	E	70.5	Confident	80.1	Confident	173 Å²	173	75.8 Å²	75.8	81%	0.808	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	126	-172.9	-166.4	171.9	-167.2	0	0	112.1	L303	L303-E307 PolarHBondContact O-N 3.37Å
308	G	67.3	Low	80.1	Confident	87 Å²	87	73.7 Å²	73.7	90%	0.897	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	3.5	-177.8	0	0	0	0	0	116.2	L306	L306-G308 PolarHBondContact O-N 3.1Å
309	S	73.8	Confident	80.3	Confident	36 Å²	36	72.4 Å²	72.4	25%	0.252	37%	0.368	S	S	.	.	S	Bend	trans	-96.5	155.7	174.1	70.9	0	0	0	0	113.5	L306 D311 A312 V313	L306-S309 WeakPolarHBondContact O-CB 3.36Å; L306-S309 PolarHBondContact O-N 2.88Å; L306-S309 PolarHBondContact O-OG 3.22Å; S309-D311 PolarHBondContact O-N 3.11Å; S309-A312 PolarHBondContact O-N 3.13Å; S309-A312 PolarHBondContact OG-N 3.1Å; S309-V313 PolarHBondContact O-N 3.47Å
310	D	76	Confident	80.4	Confident	143 Å²	143	76.4 Å²	76.4	77%	0.765	39%	0.389	S	S	*	.	H	α-helix	trans	-63.2	-30	173.4	-71.5	-27.7	0	0	0	112.2	V313 L314	D310-V313 PolarHBondContact O-N 2.95Å; D310-L314 PolarHBondContact O-N 3.48Å
311	D	76.1	Confident	80.6	Confident	98 Å²	98	76.2 Å²	76.2	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-36.6	176.7	-69.2	-27	0	0	0	112.1	L306 S309 V313 L314 L315	L306-D311 HydrophobicContact CD1-CB 4.47Å; S309-D311 PolarHBondContact O-N 3.11Å; D311-V313 VanDerWaalsContact C-N 3.34Å; D311-L314 PolarHBondContact O-N 3.05Å; D311-L315 WeakPolarHBondContact O-CB 3.4Å; D311-L315 PolarHBondContact O-N 2.92Å
312	A	80.6	Confident	81	Confident	12 Å²	12	70.9 Å²	70.9	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-64.3	-39.5	173.4	0	0	0	0	0	111.7	L303 L306 S309 L315 Q316	L303-A312 HydrophobicContact CD2-CB 4.1Å; L303-A312 VanDerWaalsContact CD2-O 3.25Å; L303-A312 WeakPolarHBondContact CD2-O 3.46Å; L306-A312 HydrophobicContact CB-CB 3.89Å; L306-A312 VanDerWaalsContact O-CB 3.29Å; L306-A312 WeakPolarHBondContact O-CB 3.45Å; S309-A312 PolarHBondContact O-N 3.13Å; S309-A312 PolarHBondContact OG-N 3.1Å; A312-L315 PolarHBondContact O-N 2.73Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 3.35Å
313	V	83.4	Confident	81.5	Confident	72 Å²	72	72.3 Å²	72.3	44%	0.436	38%	0.375	S	S	.	.	H	α-helix	trans	-66.4	-42.1	176.9	-179.6	0	0	0	0	111	S309 D310 D311 Q316 R317	S309-V313 PolarHBondContact O-N 3.47Å; D310-V313 PolarHBondContact O-N 2.95Å; D311-V313 VanDerWaalsContact C-N 3.34Å; V313-Q316 PolarHBondContact O-N 2.95Å; V313-R317 WeakPolarHBondContact O-CG 3.17Å; V313-R317 PolarHBondContact O-N 3.38Å; V313-R317 VanDerWaalsContact O-N 3.1Å
314	L	84.7	Confident	81.9	Confident	101 Å²	101	77.7 Å²	77.7	53%	0.529	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-43.6	177	-178.1	63.4	0	0	0	111.7	D310 D311 R317 R318	D310-L314 PolarHBondContact O-N 3.48Å; D311-L314 PolarHBondContact O-N 3.05Å; L314-R317 PolarHBondContact O-N 3.08Å; L314-R318 WeakPolarHBondContact O-CG 3.48Å; L314-R318 PolarHBondContact O-N 2.96Å
315	L	85.5	Confident	82.5	Confident	19 Å²	19	70.7 Å²	70.7	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-64	-45.7	176.7	177.3	54.8	0	0	0	111.5	F234 L238 I302 L303 D311 A312 R317 R318 L319	F234-L315 HydrophobicContact CE1-CD1 3.52Å; F234-L315 HydrophobicContact CE1-CD2 4.01Å; F234-L315 HydrophobicContact CE1-CG 4.42Å; F234-L315 HydrophobicContact CZ-CD1 3.89Å; L238-L315 HydrophobicContact CD2-CD1 3.94Å; I302-L315 HydrophobicContact CB-CD2 4.27Å; I302-L315 HydrophobicContact CG2-CD2 3.76Å; L303-L315 HydrophobicContact CD2-CB 4.15Å; L303-L315 HydrophobicContact CD2-CD2 4.12Å; L303-L315 HydrophobicContact CD2-CG 4.1Å; L303-L315 HydrophobicContact CG-CD2 4.1Å; L303-L315 HydrophobicContact CG-CG 4.36Å; D311-L315 WeakPolarHBondContact O-CB 3.4Å; D311-L315 PolarHBondContact O-N 2.92Å; A312-L315 PolarHBondContact O-N 2.73Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.42Å; L315-R318 PolarHBondContact O-N 3.41Å; L315-L319 HydrophobicContact CD1-CD1 4.14Å; L315-L319 HydrophobicContact CD1-CG 4.1Å; L315-L319 HydrophobicContact CG-CD1 3.98Å; L315-L319 HydrophobicContact CG-CG 4.44Å; L315-L319 WeakPolarHBondContact O-CG 3.32Å; L315-L319 PolarHBondContact O-N 2.88Å
316	Q	86.8	Confident	83.5	Confident	67 Å²	67	69.5 Å²	69.5	31%	0.313	36%	0.363	S	S	.	.	H	α-helix	trans	-55.4	-45.4	176.5	-173.2	64.4	52.3	0	0	111.5	L303 A312 V313 R318 L319 D320	L303-Q316 HydrophobicContact CD2-CB 4.27Å; A312-Q316 WeakPolarHBondContact O-CB 3.35Å; A312-Q316 PolarHBondContact O-N 3.35Å; V313-Q316 PolarHBondContact O-N 2.95Å; Q316-R318 VanDerWaalsContact C-N 3.33Å; Q316-R318 PolarHBondContact O-N 2.86Å; Q316-L319 PolarHBondContact O-N 3.49Å; Q316-D320 PolarHBondContact NE2-OD1 3.46Å; Q316-D320 PolarHBondContact O-N 2.95Å
317	R	87.6	Confident	84.4	Confident	174 Å²	174	71.7 Å²	71.7	66%	0.657	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-39.3	176.5	-72.7	176	-178	178.5	3	113.1	V313 L314 L315 N321	V313-R317 WeakPolarHBondContact O-CG 3.17Å; V313-R317 PolarHBondContact O-N 3.38Å; V313-R317 VanDerWaalsContact O-N 3.1Å; L314-R317 PolarHBondContact O-N 3.08Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.42Å; R317-N321 PolarHBondContact O-N 3.01Å; R317-N321 VanDerWaalsContact O-N 3.16Å
318	R	88.6	Confident	85.3	Confident	75 Å²	75	65.8 Å²	65.8	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-37.7	177.3	-70.4	178.9	73.1	167.8	7.8	111.6	L238 E239 L314 L315 Q316 M322	L238-R318 HydrophobicContact CD2-CB 4.29Å; E239-R318 IonicContact OE1-CZ 3.88Å; E239-R318 IonicContact OE1-NH1 2.65Å; E239-R318 IonicContact OE1-NH2 3.97Å; E239-R318 PolarHBondContact OE1-NH2 2.98Å; L314-R318 WeakPolarHBondContact O-CG 3.48Å; L314-R318 PolarHBondContact O-N 2.96Å; L315-R318 PolarHBondContact O-N 3.41Å; Q316-R318 VanDerWaalsContact C-N 3.33Å; Q316-R318 PolarHBondContact O-N 2.86Å; R318-M322 PolarHBondContact O-N 3.33Å
319	L	88.5	Confident	86.4	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-70.6	-42.4	176.9	-64.5	164.3	0	0	0	112.2	F234 L238 S299 L303 L315 Q316 N321 M322 N323	F234-L319 HydrophobicContact CZ-CD2 4.41Å; L238-L319 HydrophobicContact CD1-CD2 4.35Å; S299-L319 VanDerWaalsContact CB-CD1 3.44Å; S299-L319 VanDerWaalsContact OG-CD1 3.22Å; S299-L319 WeakPolarHBondContact OG-CD1 3.27Å; S299-L319 VanDerWaalsContact OG-CD2 3.3Å; S299-L319 WeakPolarHBondContact OG-CD2 3.35Å; L303-L319 HydrophobicContact CD1-CD1 3.59Å; L303-L319 HydrophobicContact CG-CD1 4.36Å; L315-L319 HydrophobicContact CD1-CD1 4.14Å; L315-L319 HydrophobicContact CD1-CG 4.1Å; L315-L319 HydrophobicContact CG-CD1 3.98Å; L315-L319 HydrophobicContact CG-CG 4.44Å; L315-L319 WeakPolarHBondContact O-CG 3.32Å; L315-L319 PolarHBondContact O-N 2.88Å; Q316-L319 PolarHBondContact O-N 3.49Å; L319-N321 PolarHBondContact O-N 2.71Å; L319-M322 HydrophobicContact CD2-CE 4.07Å; L319-M322 WeakPolarHBondContact O-CB 3.36Å; L319-M322 PolarHBondContact O-N 2.79Å; L319-M322 VanDerWaalsContact O-N 3.11Å; L319-N323 VanDerWaalsContact O-CB 3.31Å; L319-N323 WeakPolarHBondContact O-CB 3.25Å; L319-N323 VanDerWaalsContact O-CG 3.31Å; L319-N323 PolarHBondContact O-N 3.37Å; L319-N323 PolarHBondContact O-ND2 2.95Å
320	D	87.6	Confident	87.2	Confident	83 Å²	83	67 Å²	67	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-41.1	175.7	-65.6	-19.1	0	0	0	110.5	Q316 F324	Q316-D320 PolarHBondContact NE2-OD1 3.46Å; Q316-D320 PolarHBondContact O-N 2.95Å; D320-F324 WeakPolarHBondContact O-CB 3.5Å; D320-F324 PolarHBondContact O-N 3.27Å
321	N	89.1	Confident	87.8	Confident	71 Å²	71	65.6 Å²	65.6	38%	0.38	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-43.8	173.5	178.5	49.9	0	0	0	112.7	R317 L319 K325	R317-N321 PolarHBondContact O-N 3.01Å; R317-N321 VanDerWaalsContact O-N 3.16Å; L319-N321 PolarHBondContact O-N 2.71Å; N321-K325 WeakPolarHBondContact O-CB 3.07Å; N321-K325 WeakPolarHBondContact O-CG 3.4Å; N321-K325 PolarHBondContact O-N 2.84Å
322	M	90.8	Very high	88.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-50.9	174.8	-176.6	-171.3	75.3	0	0	111.4	L238 F241 L242 L245 Y292 L295 D296 R318 L319 F324 K325 W326	L238-M322 HydrophobicContact CD1-SD 3.63Å; F241-M322 HydrophobicContact CD1-CG 3.72Å; F241-M322 HydrophobicContact CD1-SD 3.55Å; F241-M322 VanDerWaalsContact CD1-SD 3.55Å; F241-M322 HydrophobicContact CE1-CG 3.56Å; F241-M322 HydrophobicContact CE1-SD 3.69Å; L242-M322 HydrophobicContact CD2-CB 3.76Å; L242-M322 HydrophobicContact CD2-CG 4.15Å; L245-M322 HydrophobicContact CD1-CG 3.77Å; Y292-M322 HydrophobicContact CD2-CE 3.96Å; Y292-M322 HydrophobicContact CE2-CE 3.83Å; L295-M322 HydrophobicContact CB-SD 4.35Å; L295-M322 HydrophobicContact CD1-SD 4.38Å; D296-M322 HydrophobicContact CB-CE 4.45Å; R318-M322 PolarHBondContact O-N 3.33Å; L319-M322 HydrophobicContact CD2-CE 4.07Å; L319-M322 WeakPolarHBondContact O-CB 3.36Å; L319-M322 PolarHBondContact O-N 2.79Å; L319-M322 VanDerWaalsContact O-N 3.11Å; M322-F324 PolarHBondContact O-N 3.46Å; M322-K325 PolarHBondContact O-N 3.19Å; M322-W326 VanDerWaalsContact O-CB 3.3Å; M322-W326 WeakPolarHBondContact O-CB 3.47Å; M322-W326 PolarHBondContact O-N 3.49Å
323	N	90.9	Very high	88.6	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.214	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-42.6	-178.4	-75.1	-24.3	0	0	0	111.6	Y292 D296 L319 S327	Y292-N323 WeakPolarHBondContact CE2-OD1 3.25Å; Y292-N323 PolarHBondContact OH-OD1 3.3Å; D296-N323 PolarHBondContact OD1-ND2 2.95Å; L319-N323 VanDerWaalsContact O-CB 3.31Å; L319-N323 WeakPolarHBondContact O-CB 3.25Å; L319-N323 VanDerWaalsContact O-CG 3.31Å; L319-N323 PolarHBondContact O-N 3.37Å; L319-N323 PolarHBondContact O-ND2 2.95Å; N323-S327 WeakPolarHBondContact O-CB 3.26Å; N323-S327 PolarHBondContact O-N 3.36Å
324	F	91	Very high	88.7	Confident	130 Å²	130	62.6 Å²	62.6	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-61.1	-52.4	174.4	177.1	-97.9	0	0	0	111.7	D320 M322 W326 S327 E328	D320-F324 WeakPolarHBondContact O-CB 3.5Å; D320-F324 PolarHBondContact O-N 3.27Å; M322-F324 PolarHBondContact O-N 3.46Å; F324-W326 VanDerWaalsContact C-N 3.35Å; F324-W326 PolarHBondContact O-N 2.91Å; F324-S327 PolarHBondContact O-N 2.85Å; F324-E328 HydrophobicContact CE1-CG 4.09Å; F324-E328 HydrophobicContact CE2-CG 4.02Å; F324-E328 HydrophobicContact CZ-CG 3.78Å; F324-E328 PolarHBondContact O-N 3.38Å
325	K	90.6	Very high	88.6	Confident	42 Å²	42	61.5 Å²	61.5	18%	0.183	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-41.9	179.7	-77.9	-175.2	166.6	-162.4	0	112.6	L245 T246 N321 M322 E328 L329	L245-K325 HydrophobicContact CD1-CB 4.31Å; T246-K325 PolarHBondContact OG1-NZ 3.46Å; T246-K325 VanDerWaalsContact OG1-NZ 3.07Å; N321-K325 WeakPolarHBondContact O-CB 3.07Å; N321-K325 WeakPolarHBondContact O-CG 3.4Å; N321-K325 PolarHBondContact O-N 2.84Å; M322-K325 PolarHBondContact O-N 3.19Å; K325-E328 PolarHBondContact O-N 3.21Å; K325-L329 VanDerWaalsContact O-CB 3.3Å; K325-L329 WeakPolarHBondContact O-CB 3.29Å; K325-L329 PolarHBondContact O-N 2.71Å
326	W	92.8	Very high	88.5	Confident	11 Å²	11	60.7 Å²	60.7	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176.2	176.9	-107.8	0	0	0	112.4	F241 W244 L245 I285 T289 Y292 M322 F324 L329 R330	F241-W326 HydrophobicContact CE2-CZ3 4.35Å; F241-W326 AromaticContact CZ-CE3 3.76Å; F241-W326 HydrophobicContact CZ-CE3 3.76Å; F241-W326 AromaticContact CZ-CZ3 3.98Å; F241-W326 HydrophobicContact CZ-CZ3 3.98Å; W244-W326 HydrophobicContact CH2-CE3 4.37Å; W244-W326 AromaticContact CH2-CZ3 3.66Å; W244-W326 HydrophobicContact CH2-CZ3 3.66Å; W244-W326 HydrophobicContact CZ3-CE3 4.05Å; W244-W326 AromaticContact CZ3-CZ3 3.63Å; W244-W326 HydrophobicContact CZ3-CZ3 3.63Å; L245-W326 HydrophobicContact CD2-CB 4.23Å; L245-W326 HydrophobicContact CD2-CE3 3.86Å; I285-W326 HydrophobicContact CG2-CH2 3.89Å; I285-W326 HydrophobicContact CG2-CZ2 4.38Å; I285-W326 HydrophobicContact CG2-CZ3 4.31Å; I285-W326 VanDerWaalsContact O-CH2 3.32Å; I285-W326 WeakPolarHBondContact O-CH2 3.34Å; T289-W326 HydrophobicContact CG2-CZ2 4.19Å; T289-W326 WeakPolarHBondContact OG1-CH2 3.34Å; T289-W326 WeakPolarHBondContact OG1-CZ2 3.43Å; Y292-W326 AromaticContact CD1-CD1 3.99Å; Y292-W326 HydrophobicContact CD1-CZ2 4.48Å; Y292-W326 AromaticContact CD1-NE1 3.6Å; Y292-W326 HydrophobicContact CD2-CB 4.08Å; Y292-W326 AromaticContact CD2-CD1 3.77Å; Y292-W326 AromaticContact CD2-CD2 3.92Å; Y292-W326 HydrophobicContact CD2-CD2 3.92Å; Y292-W326 AromaticContact CD2-CG 3.68Å; Y292-W326 HydrophobicContact CD2-CG 3.68Å; Y292-W326 AromaticContact CE1-CD1 3.76Å; Y292-W326 AromaticContact CE1-NE1 3.68Å; Y292-W326 HydrophobicContact CE2-CB 3.88Å; Y292-W326 AromaticContact CE2-CD1 3.51Å; Y292-W326 HydrophobicContact CE2-CD2 4.39Å; Y292-W326 AromaticContact CE2-CG 3.68Å; Y292-W326 HydrophobicContact CE2-CG 3.68Å; Y292-W326 HydrophobicContact CG-CD2 4.02Å; Y292-W326 AromaticContact CG-CE2 3.85Å; Y292-W326 HydrophobicContact CG-CG 4.14Å; Y292-W326 HydrophobicContact CG-CZ2 4.34Å; Y292-W326 AromaticContact CG-NE1 3.81Å; Y292-W326 AromaticContact CZ-CD1 3.52Å; Y292-W326 AromaticContact CZ-NE1 3.95Å; M322-W326 VanDerWaalsContact O-CB 3.3Å; M322-W326 WeakPolarHBondContact O-CB 3.47Å; M322-W326 PolarHBondContact O-N 3.49Å; F324-W326 VanDerWaalsContact C-N 3.35Å; F324-W326 PolarHBondContact O-N 2.91Å; W326-L329 PolarHBondContact O-N 3.47Å; W326-R330 WeakPolarHBondContact O-CG 3.34Å; W326-R330 PolarHBondContact O-N 3.46Å; W326-R330 VanDerWaalsContact O-N 3.1Å
327	S	89.6	Confident	88.1	Confident	70 Å²	70	61.7 Å²	61.7	49%	0.49	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-46.3	177.1	-174.8	0	0	0	0	111.9	N323 F324 R330 K331	N323-S327 WeakPolarHBondContact O-CB 3.26Å; N323-S327 PolarHBondContact O-N 3.36Å; F324-S327 PolarHBondContact O-N 2.85Å; S327-R330 PolarHBondContact O-N 3.5Å; S327-K331 WeakPolarHBondContact O-CB 3.28Å; S327-K331 PolarHBondContact O-N 3.27Å
328	E	89.9	Confident	87.6	Confident	49 Å²	49	56.8 Å²	56.8	23%	0.229	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-39	178.8	-78.4	-64.2	124	0	0	112.4	F324 K325 K331 K332	F324-E328 HydrophobicContact CE1-CG 4.09Å; F324-E328 HydrophobicContact CE2-CG 4.02Å; F324-E328 HydrophobicContact CZ-CG 3.78Å; F324-E328 PolarHBondContact O-N 3.38Å; K325-E328 PolarHBondContact O-N 3.21Å; E328-K331 PolarHBondContact O-N 2.88Å; E328-K331 IonicContact OE1-NZ 3.72Å; E328-K331 PolarHBondContact OE1-NZ 3.3Å; E328-K332 WeakPolarHBondContact O-CB 3.23Å; E328-K332 VanDerWaalsContact O-CG 3.26Å; E328-K332 WeakPolarHBondContact O-CG 3.4Å; E328-K332 PolarHBondContact O-N 3.33Å
329	L	91.4	Very high	86.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-49	174	176.6	60.5	0	0	0	111.8	W244 L245 A248 A252 I285 K325 W326 K331 K332 S333	W244-L329 HydrophobicContact CH2-CD2 4.18Å; L245-L329 HydrophobicContact CD2-CD2 3.93Å; A248-L329 HydrophobicContact CB-CD1 4.28Å; A248-L329 HydrophobicContact CB-CD2 3.65Å; A248-L329 WeakPolarHBondContact O-CD1 3.39Å; A252-L329 HydrophobicContact CB-CD1 3.55Å; I285-L329 HydrophobicContact CD1-CD1 4.18Å; I285-L329 HydrophobicContact CD1-CD2 4.23Å; I285-L329 HydrophobicContact CD1-CG 3.84Å; I285-L329 HydrophobicContact CG1-CD2 3.95Å; I285-L329 HydrophobicContact CG1-CG 4.13Å; K325-L329 VanDerWaalsContact O-CB 3.3Å; K325-L329 WeakPolarHBondContact O-CB 3.29Å; K325-L329 PolarHBondContact O-N 2.71Å; W326-L329 PolarHBondContact O-N 3.47Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 2.9Å; L329-K332 PolarHBondContact O-N 3.39Å; L329-S333 PolarHBondContact O-N 3.3Å
330	R	90.6	Very high	85.9	Confident	150 Å²	150	57.9 Å²	57.9	57%	0.566	28%	0.282	S	S	*	.	H	α-helix	trans	-61.2	-41.4	177.6	-71.5	-174.1	71.7	-147.5	3	112	I285 W326 S327 L334	I285-R330 HydrophobicContact CG2-CG 4.09Å; W326-R330 WeakPolarHBondContact O-CG 3.34Å; W326-R330 PolarHBondContact O-N 3.46Å; W326-R330 VanDerWaalsContact O-N 3.1Å; S327-R330 PolarHBondContact O-N 3.5Å; R330-L334 PolarHBondContact O-N 2.79Å; R330-L334 VanDerWaalsContact O-N 3.08Å
331	K	88.3	Confident	84.9	Confident	112 Å²	112	57.6 Å²	57.6	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-42.7	176.5	-176.8	-176.9	173.9	-169.6	0	112.1	S327 E328 L329 L334 N335	S327-K331 WeakPolarHBondContact O-CB 3.28Å; S327-K331 PolarHBondContact O-N 3.27Å; E328-K331 PolarHBondContact O-N 2.88Å; E328-K331 IonicContact OE1-NZ 3.72Å; E328-K331 PolarHBondContact OE1-NZ 3.3Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 2.9Å; K331-L334 PolarHBondContact O-N 2.62Å; K331-N335 PolarHBondContact O-N 3.29Å; K331-N335 VanDerWaalsContact O-N 3.11Å; K331-N335 PolarHBondContact O-ND2 2.86Å
332	K	86.6	Confident	83.8	Confident	27 Å²	27	57.1 Å²	57.1	12%	0.117	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-46.9	176	-74.2	171.7	-175.5	-179.5	0	111.4	E249 A252 N253 E328 L329 L334 N335 I336	E249-K332 IonicContact OE1-NZ 2.81Å; E249-K332 PolarHBondContact OE1-NZ 2.96Å; A252-K332 HydrophobicContact CB-CB 4.34Å; N253-K332 WeakPolarHBondContact OD1-CE 3.25Å; N253-K332 PolarHBondContact OD1-NZ 3.44Å; E328-K332 WeakPolarHBondContact O-CB 3.23Å; E328-K332 VanDerWaalsContact O-CG 3.26Å; E328-K332 WeakPolarHBondContact O-CG 3.4Å; E328-K332 PolarHBondContact O-N 3.33Å; L329-K332 PolarHBondContact O-N 3.39Å; K332-L334 VanDerWaalsContact C-N 3.34Å; K332-L334 PolarHBondContact O-N 3.05Å; K332-N335 PolarHBondContact O-N 3.19Å; K332-I336 WeakPolarHBondContact O-CD1 3.49Å; K332-I336 VanDerWaalsContact O-CG1 3.28Å; K332-I336 WeakPolarHBondContact O-CG1 3.36Å; K332-I336 PolarHBondContact O-N 3.47Å
333	S	86.7	Confident	82.2	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-54.6	-47.7	174.3	175.8	0	0	0	0	111.9	W278 Q282 L329 N335 I336 R337	W278-S333 PolarHBondContact NE1-O 3.01Å; W278-S333 PolarHBondContact NE1-OG 2.98Å; Q282-S333 PolarHBondContact OE1-OG 3.47Å; L329-S333 PolarHBondContact O-N 3.3Å; S333-N335 VanDerWaalsContact C-N 3.34Å; S333-N335 PolarHBondContact O-N 3.24Å; S333-I336 PolarHBondContact O-N 2.86Å; S333-R337 PolarHBondContact O-N 3.26Å; S333-R337 VanDerWaalsContact O-N 3.15Å
334	L	85.4	Confident	80.7	Confident	92 Å²	92	59 Å²	59	48%	0.482	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-41	179.8	-174	69.7	0	0	0	112.8	R330 K331 K332 R337 S338	R330-L334 PolarHBondContact O-N 2.79Å; R330-L334 VanDerWaalsContact O-N 3.08Å; K331-L334 PolarHBondContact O-N 2.62Å; K332-L334 VanDerWaalsContact C-N 3.34Å; K332-L334 PolarHBondContact O-N 3.05Å; L334-R337 PolarHBondContact O-N 2.9Å; L334-S338 PolarHBondContact O-N 3.21Å; L334-S338 VanDerWaalsContact O-N 3.08Å
335	N	82.7	Confident	79.4	Confident	78 Å²	78	56.1 Å²	56.1	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-67.3	-39.2	179.1	-72.3	-24.9	0	0	0	112.3	K331 K332 S333 S338 H339	K331-N335 PolarHBondContact O-N 3.29Å; K331-N335 VanDerWaalsContact O-N 3.11Å; K331-N335 PolarHBondContact O-ND2 2.86Å; K332-N335 PolarHBondContact O-N 3.19Å; S333-N335 VanDerWaalsContact C-N 3.34Å; S333-N335 PolarHBondContact O-N 3.24Å; N335-S338 PolarHBondContact O-N 3.33Å; N335-H339 PolarHBondContact O-N 3.47Å; N335-H339 VanDerWaalsContact O-N 3.11Å
336	I	82.1	Confident	78.2	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-48	175.5	-68.7	162.7	0	0	0	110.1	A252 L255 Q256 T259 W278 K332 S333 H339 L340	A252-I336 WeakPolarHBondContact O-CD1 3.31Å; L255-I336 HydrophobicContact CB-CD1 3.91Å; Q256-I336 HydrophobicContact CB-CD1 3.98Å; Q256-I336 HydrophobicContact CB-CG1 3.94Å; Q256-I336 HydrophobicContact CG-CG1 4.48Å; T259-I336 HydrophobicContact CG2-CG2 3.86Å; W278-I336 HydrophobicContact CB-CG2 4.11Å; W278-I336 HydrophobicContact CG-CG2 4.02Å; K332-I336 WeakPolarHBondContact O-CD1 3.49Å; K332-I336 VanDerWaalsContact O-CG1 3.28Å; K332-I336 WeakPolarHBondContact O-CG1 3.36Å; K332-I336 PolarHBondContact O-N 3.47Å; S333-I336 PolarHBondContact O-N 2.86Å; I336-H339 PolarHBondContact O-N 2.84Å; I336-L340 HydrophobicContact CG2-CD1 3.88Å; I336-L340 WeakPolarHBondContact O-CG 3.3Å; I336-L340 PolarHBondContact O-N 3.37Å; I336-L340 VanDerWaalsContact O-N 3.12Å
337	R	79.9	Confident	77.1	Confident	88 Å²	88	61.8 Å²	61.8	33%	0.332	32%	0.315	S	S	.	.	H	α-helix	trans	-57	-52.2	175.7	-176.4	-178.8	66.5	115.6	-8	112.6	W278 S333 L334 H339 L340 E341	W278-R337 HydrophobicContact CD2-CB 4.27Å; W278-R337 HydrophobicContact CH2-CB 4.26Å; W278-R337 VanDerWaalsContact CH2-CD 3.43Å; W278-R337 HydrophobicContact CH2-CG 3.89Å; W278-R337 HydrophobicContact CZ2-CB 3.72Å; W278-R337 VanDerWaalsContact CZ2-CD 3.5Å; W278-R337 HydrophobicContact CZ2-CG 3.86Å; W278-R337 HydrophobicContact CZ3-CG 4.29Å; S333-R337 PolarHBondContact O-N 3.26Å; S333-R337 VanDerWaalsContact O-N 3.15Å; L334-R337 PolarHBondContact O-N 2.9Å; R337-H339 PolarHBondContact O-N 3.18Å; R337-L340 PolarHBondContact O-N 3.38Å; R337-E341 HydrophobicContact CG-CG 4.3Å; R337-E341 WeakPolarHBondContact CG-OE1 3.32Å; R337-E341 IonicContact NH1-OE1 3.66Å; R337-E341 IonicContact NH1-OE2 2.77Å; R337-E341 WeakPolarHBondContact O-CG 3.39Å; R337-E341 PolarHBondContact O-N 3.36Å
338	S	77.1	Confident	76.1	Confident	71 Å²	71	62.8 Å²	62.8	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-40.9	-177.9	-174.5	0	0	0	0	111.9	L334 N335 A342	L334-S338 PolarHBondContact O-N 3.21Å; L334-S338 VanDerWaalsContact O-N 3.08Å; N335-S338 PolarHBondContact O-N 3.33Å; S338-A342 VanDerWaalsContact O-CB 3.29Å; S338-A342 WeakPolarHBondContact O-CB 3.43Å; S338-A342 PolarHBondContact O-N 3.36Å; S338-A342 VanDerWaalsContact O-N 3.08Å
339	H	71.4	Confident	75.4	Confident	96 Å²	96	68.8 Å²	68.8	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-71.6	-36.7	179.9	-157.8	-80.5	0	0	0	113.2	N335 I336 R337	N335-H339 PolarHBondContact O-N 3.47Å; N335-H339 VanDerWaalsContact O-N 3.11Å; I336-H339 PolarHBondContact O-N 2.84Å; R337-H339 PolarHBondContact O-N 3.18Å
340	L	68.4	Low	74.9	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-72.5	-33.4	176.8	-70.9	168.4	0	0	0	112.7	T259 L265 V271 L274 M275 I336 R337 S343	T259-L340 HydrophobicContact CG2-CD1 3.92Å; T259-L340 HydrophobicContact CG2-CD2 3.81Å; T259-L340 HydrophobicContact CG2-CG 3.8Å; L265-L340 HydrophobicContact CD2-CD2 3.72Å; V271-L340 HydrophobicContact CG1-CD2 4.15Å; L274-L340 HydrophobicContact CB-CD1 4.4Å; L274-L340 HydrophobicContact CB-CD2 4.26Å; M275-L340 HydrophobicContact CG-CB 4.21Å; M275-L340 HydrophobicContact CG-CD1 4.05Å; M275-L340 HydrophobicContact SD-CB 3.63Å; M275-L340 HydrophobicContact SD-CD1 3.78Å; M275-L340 HydrophobicContact SD-CG 4.3Å; I336-L340 HydrophobicContact CG2-CD1 3.88Å; I336-L340 WeakPolarHBondContact O-CG 3.3Å; I336-L340 PolarHBondContact O-N 3.37Å; I336-L340 VanDerWaalsContact O-N 3.12Å; R337-L340 PolarHBondContact O-N 3.38Å; L340-S343 PolarHBondContact O-OG 2.99Å
341	E	67.5	Low	74.3	Confident	77 Å²	77	64.3 Å²	64.3	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-75.9	-43.2	177.9	-71.5	173.9	170.1	0	0	112.1	R337 S343 S344 D345	R337-E341 HydrophobicContact CG-CG 4.3Å; R337-E341 WeakPolarHBondContact CG-OE1 3.32Å; R337-E341 IonicContact NH1-OE1 3.66Å; R337-E341 IonicContact NH1-OE2 2.77Å; R337-E341 WeakPolarHBondContact O-CG 3.39Å; R337-E341 PolarHBondContact O-N 3.36Å; E341-S343 PolarHBondContact O-N 3.02Å; E341-S344 PolarHBondContact O-N 3.46Å; E341-D345 PolarHBondContact O-N 3.29Å
342	A	65.1	Low	73.9	Confident	62 Å²	62	63.6 Å²	63.6	51%	0.512	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-37.5	-176.1	0	0	0	0	0	114	S338	S338-A342 VanDerWaalsContact O-CB 3.29Å; S338-A342 WeakPolarHBondContact O-CB 3.43Å; S338-A342 PolarHBondContact O-N 3.36Å; S338-A342 VanDerWaalsContact O-N 3.08Å
343	S	57.4	Low	74	Confident	46 Å²	46	64 Å²	64	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-72.1	-29.5	179.7	64	0	0	0	0	113.4	L340 E341	L340-S343 PolarHBondContact O-OG 2.99Å; E341-S343 PolarHBondContact O-N 3.02Å
344	S	60.4	Low	74	Confident	33 Å²	33	64 Å²	64	23%	0.231	32%	0.324	C	S	.	.	H	α-helix	trans	-74.7	-32.3	177.6	144.6	0	0	0	0	112.9	E341 W347 K348	E341-S344 PolarHBondContact O-N 3.46Å; S344-W347 VanDerWaalsContact O-CD1 3.3Å; S344-W347 PolarHBondContact O-NE1 2.81Å; S344-K348 WeakPolarHBondContact O-CD 3.47Å; S344-K348 WeakPolarHBondContact O-CG 3.42Å; S344-K348 PolarHBondContact OG-NZ 3.1Å
345	D	63.8	Low	74.1	Confident	69 Å²	69	63.8 Å²	63.8	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-79.9	-28.7	-172.9	-78.7	-4.2	0	0	0	113.7	E341 R349	E341-D345 PolarHBondContact O-N 3.29Å; D345-R349 WeakPolarHBondContact O-CG 3.16Å; D345-R349 PolarHBondContact O-N 3.18Å
346	Q	64.3	Low	74.5	Confident	97 Å²	97	66.7 Å²	66.7	45%	0.453	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-47.7	-176.5	-170.7	175.2	0.3	0	0	112.5	R349 L350 F412	Q346-R349 PolarHBondContact O-N 3.05Å; Q346-L350 PolarHBondContact O-N 3.1Å; Q346-F412 HydrophobicContact CB-CE2 4.48Å; Q346-F412 HydrophobicContact CG-CD2 4.12Å; Q346-F412 HydrophobicContact CG-CE2 4.08Å
347	W	69.6	Low	75	Confident	75 Å²	75	67 Å²	67	28%	0.284	33%	0.334	S	S	.	.	H	α-helix	trans	-73.7	-31.6	-178.8	76.2	-98.3	0	0	0	112.8	S344 L350 H351 F412 V440 L444	S344-W347 VanDerWaalsContact O-CD1 3.3Å; S344-W347 PolarHBondContact O-NE1 2.81Å; W347-L350 PolarHBondContact O-N 2.96Å; W347-H351 HydrophobicContact CE3-CB 4.49Å; W347-H351 WeakPolarHBondContact O-CB 3.41Å; W347-H351 PolarHBondContact O-N 3.32Å; W347-F412 HydrophobicContact CB-CE1 4.08Å; W347-F412 HydrophobicContact CB-CE2 4.36Å; W347-F412 HydrophobicContact CB-CZ 3.64Å; W347-V440 HydrophobicContact CB-CG1 4.38Å; W347-V440 HydrophobicContact CD2-CG1 3.65Å; W347-V440 HydrophobicContact CE3-CG1 3.51Å; W347-V440 HydrophobicContact CG-CG1 4.06Å; W347-V440 HydrophobicContact CH2-CG2 4.44Å; W347-V440 HydrophobicContact CZ3-CG1 4.03Å; W347-V440 HydrophobicContact CZ3-CG2 4.5Å; W347-L444 HydrophobicContact CB-CD1 4Å
348	K	69.3	Low	75.5	Confident	91 Å²	91	64.1 Å²	64.1	40%	0.396	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-41.2	174.8	-75.1	172.9	-179.1	160.6	0	111.9	S344 H351 L352	S344-K348 WeakPolarHBondContact O-CD 3.47Å; S344-K348 WeakPolarHBondContact O-CG 3.42Å; S344-K348 PolarHBondContact OG-NZ 3.1Å; K348-H351 PolarHBondContact O-N 3.5Å; K348-L352 WeakPolarHBondContact O-CG 3.45Å; K348-L352 PolarHBondContact O-N 3.49Å; K348-L352 VanDerWaalsContact O-N 3.07Å
349	R	75.9	Confident	76.3	Confident	175 Å²	175	64.6 Å²	64.6	66%	0.66	32%	0.324	S	S	*	.	H	α-helix	trans	-64.5	-41.9	175.9	-70.2	175.8	-160.6	172.1	8	111.7	D345 Q346 L352 S353	D345-R349 WeakPolarHBondContact O-CG 3.16Å; D345-R349 PolarHBondContact O-N 3.18Å; Q346-R349 PolarHBondContact O-N 3.05Å; R349-L352 PolarHBondContact O-N 2.9Å; R349-S353 WeakPolarHBondContact O-CB 3.41Å; R349-S353 PolarHBondContact O-N 3.26Å
350	L	79.8	Confident	77.4	Confident	17 Å²	17	62.3 Å²	62.3	9%	0.089	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-42.2	176.2	-69.1	174	0	0	0	112	Q346 W347 S353 L354 T408 V409 F412 L444	Q346-L350 PolarHBondContact O-N 3.1Å; W347-L350 PolarHBondContact O-N 2.96Å; L350-S353 PolarHBondContact O-N 3.06Å; L350-L354 WeakPolarHBondContact O-CG 3.5Å; L350-L354 PolarHBondContact O-N 3.44Å; L350-T408 HydrophobicContact CD2-CG2 3.76Å; L350-V409 HydrophobicContact CB-CG2 4.31Å; L350-V409 HydrophobicContact CD1-CG2 4.45Å; L350-V409 HydrophobicContact CD2-CG2 4.02Å; L350-V409 HydrophobicContact CG-CG2 4.49Å; L350-F412 HydrophobicContact CD1-CB 3.78Å; L350-F412 HydrophobicContact CD1-CD1 3.98Å; L350-F412 HydrophobicContact CD1-CD2 4.02Å; L350-F412 HydrophobicContact CD1-CG 3.64Å; L350-L444 HydrophobicContact CB-CD2 4.22Å
351	H	78.6	Confident	78.6	Confident	39 Å²	39	62.2 Å²	62.2	18%	0.181	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-47.4	176.1	177.9	66.7	0	0	0	112.4	W347 K348 L354 Q355 L444 Q447	W347-H351 HydrophobicContact CE3-CB 4.49Å; W347-H351 WeakPolarHBondContact O-CB 3.41Å; W347-H351 PolarHBondContact O-N 3.32Å; K348-H351 PolarHBondContact O-N 3.5Å; H351-L354 PolarHBondContact O-N 3.36Å; H351-Q355 PolarHBondContact NE2-NE2 3.18Å; H351-Q355 WeakPolarHBondContact O-CG 3.28Å; H351-Q355 PolarHBondContact O-N 3.1Å; H351-L444 HydrophobicContact CB-CD2 3.85Å; H351-Q447 PolarHBondContact CE1-NE2 3.13Å; H351-Q447 PolarHBondContact CE1-OE1 3.23Å; H351-Q447 PolarHBondContact ND1-NE2 3.18Å; H351-Q447 PolarHBondContact ND1-OE1 3.01Å
352	L	80.6	Confident	79.7	Confident	98 Å²	98	64.2 Å²	64.2	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-43.6	177.2	-71.4	168.8	0	0	0	111.5	K348 R349 L354 Q355 E356	K348-L352 WeakPolarHBondContact O-CG 3.45Å; K348-L352 PolarHBondContact O-N 3.49Å; K348-L352 VanDerWaalsContact O-N 3.07Å; R349-L352 PolarHBondContact O-N 2.9Å; L352-L354 PolarHBondContact O-N 2.84Å; L352-Q355 PolarHBondContact O-N 3.04Å; L352-E356 WeakPolarHBondContact O-CG 3.3Å; L352-E356 PolarHBondContact O-N 3.29Å
353	S	87.1	Confident	81.1	Confident	35 Å²	35	66.3 Å²	66.3	25%	0.245	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-41.6	177.9	-173.9	0	0	0	0	112.4	R349 L350 E356 L357 T405	R349-S353 WeakPolarHBondContact O-CB 3.41Å; R349-S353 PolarHBondContact O-N 3.26Å; L350-S353 PolarHBondContact O-N 3.06Å; S353-E356 PolarHBondContact O-N 2.95Å; S353-L357 WeakPolarHBondContact O-CG 3.36Å; S353-L357 PolarHBondContact O-N 2.81Å; S353-L357 VanDerWaalsContact O-N 3.09Å; S353-T405 WeakPolarHBondContact OG-CG2 3.39Å; S353-T405 PolarHBondContact OG-OG1 3.14Å
354	L	87.3	Confident	82.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-39.4	175.1	-70.9	172.8	0	0	0	112.1	L350 H351 L352 L357 L358 T405 L406 V409 L444 Q447 A448 V451	L350-L354 WeakPolarHBondContact O-CG 3.5Å; L350-L354 PolarHBondContact O-N 3.44Å; H351-L354 PolarHBondContact O-N 3.36Å; L352-L354 PolarHBondContact O-N 2.84Å; L354-L357 PolarHBondContact O-N 3.44Å; L354-L358 WeakPolarHBondContact O-CG 3.26Å; L354-L358 PolarHBondContact O-N 3.13Å; L354-T405 HydrophobicContact CD2-CG2 3.93Å; L354-T405 HydrophobicContact CG-CG2 4.36Å; L354-L406 HydrophobicContact CD2-CD2 4.41Å; L354-V409 HydrophobicContact CD1-CG2 3.89Å; L354-V409 HydrophobicContact CD2-CG2 4.25Å; L354-V409 HydrophobicContact CG-CG2 4.19Å; L354-L444 HydrophobicContact CD1-CD2 3.87Å; L354-Q447 HydrophobicContact CB-CB 4.21Å; L354-Q447 HydrophobicContact CD1-CB 3.85Å; L354-A448 HydrophobicContact CD1-CB 4.28Å; L354-A448 HydrophobicContact CD2-CB 4.24Å; L354-V451 HydrophobicContact CB-CG2 4.44Å; L354-V451 HydrophobicContact CD2-CB 4.37Å; L354-V451 HydrophobicContact CD2-CG2 3.94Å
355	Q	87.9	Confident	84.3	Confident	88 Å²	88	65 Å²	65	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-65.1	-43.1	175.9	-76.3	-166.6	-26.5	0	0	112.8	H351 L352 L357 L358 V359	H351-Q355 PolarHBondContact NE2-NE2 3.18Å; H351-Q355 WeakPolarHBondContact O-CG 3.28Å; H351-Q355 PolarHBondContact O-N 3.1Å; L352-Q355 PolarHBondContact O-N 3.04Å; Q355-L357 VanDerWaalsContact C-N 3.28Å; Q355-L357 PolarHBondContact O-N 2.9Å; Q355-L358 PolarHBondContact O-N 3.18Å; Q355-V359 WeakPolarHBondContact O-CG2 3.45Å; Q355-V359 PolarHBondContact O-N 2.63Å
356	E	90.4	Very high	85.6	Confident	140 Å²	140	65.6 Å²	65.6	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-60	-40.4	175.1	-73.6	177.5	178.7	0	0	111.7	L352 S353 W360	L352-E356 WeakPolarHBondContact O-CG 3.3Å; L352-E356 PolarHBondContact O-N 3.29Å; S353-E356 PolarHBondContact O-N 2.95Å; E356-W360 WeakPolarHBondContact O-CB 3.49Å; E356-W360 PolarHBondContact O-N 3.41Å
357	L	92.7	Very high	86.9	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-43.6	175	-72	179.9	0	0	0	112	S353 L354 Q355 V359 W360 L361 I402 T405 V451	S353-L357 WeakPolarHBondContact O-CG 3.36Å; S353-L357 PolarHBondContact O-N 2.81Å; S353-L357 VanDerWaalsContact O-N 3.09Å; L354-L357 PolarHBondContact O-N 3.44Å; Q355-L357 VanDerWaalsContact C-N 3.28Å; Q355-L357 PolarHBondContact O-N 2.9Å; L357-V359 PolarHBondContact O-N 3.35Å; L357-W360 PolarHBondContact O-N 3Å; L357-L361 WeakPolarHBondContact O-CB 3.04Å; L357-L361 WeakPolarHBondContact O-CG 3.22Å; L357-L361 PolarHBondContact O-N 3.01Å; L357-I402 HydrophobicContact CD1-CG1 4.21Å; L357-I402 HydrophobicContact CD2-CG1 3.85Å; L357-T405 HydrophobicContact CD1-CG2 3.88Å; L357-V451 HydrophobicContact CB-CG1 4.24Å; L357-V451 HydrophobicContact CB-CG2 4.13Å; L357-V451 HydrophobicContact CD1-CG1 4.23Å
358	L	91.4	Very high	88	Confident	27 Å²	27	61 Å²	61	14%	0.141	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-45.4	176	-73.8	171.3	0	0	0	112.4	L354 Q355 W360 L361 Q362 E450 V451	L354-L358 WeakPolarHBondContact O-CG 3.26Å; L354-L358 PolarHBondContact O-N 3.13Å; Q355-L358 PolarHBondContact O-N 3.18Å; L358-W360 VanDerWaalsContact C-N 3.35Å; L358-L361 PolarHBondContact O-N 3.27Å; L358-Q362 WeakPolarHBondContact O-CG 3.33Å; L358-Q362 PolarHBondContact O-N 3.34Å; L358-E450 HydrophobicContact CD2-CB 3.99Å; L358-V451 HydrophobicContact CD1-CG2 4.37Å; L358-V451 HydrophobicContact CD2-CB 4.34Å; L358-V451 HydrophobicContact CD2-CG2 3.6Å; L358-V451 HydrophobicContact CG-CG2 3.53Å
359	V	92.6	Very high	89	Confident	81 Å²	81	59.3 Å²	59.3	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-42.8	177.1	172.8	0	0	0	0	110.8	Q355 L357 Q362 L363	Q355-V359 WeakPolarHBondContact O-CG2 3.45Å; Q355-V359 PolarHBondContact O-N 2.63Å; L357-V359 PolarHBondContact O-N 3.35Å; V359-Q362 PolarHBondContact O-N 2.95Å; V359-L363 HydrophobicContact CG1-CD1 4.05Å; V359-L363 HydrophobicContact CG1-CG 4.49Å; V359-L363 WeakPolarHBondContact O-CG 3.45Å; V359-L363 PolarHBondContact O-N 3.2Å
360	W	94.9	Very high	89.7	Confident	48 Å²	48	60.4 Å²	60.4	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-41.2	176.9	-177.5	88.4	0	0	0	112.1	E356 L357 L358 L363 K364 L395 K398 I402 W455	E356-W360 WeakPolarHBondContact O-CB 3.49Å; E356-W360 PolarHBondContact O-N 3.41Å; L357-W360 PolarHBondContact O-N 3Å; L358-W360 VanDerWaalsContact C-N 3.35Å; W360-L363 PolarHBondContact O-N 3.01Å; W360-K364 HydrophobicContact CD2-CG 3.94Å; W360-K364 HydrophobicContact CE3-CG 4.17Å; W360-K364 HydrophobicContact CH2-CD 4.49Å; W360-K364 HydrophobicContact CH2-CG 3.87Å; W360-K364 HydrophobicContact CZ2-CD 4.01Å; W360-K364 HydrophobicContact CZ2-CG 3.61Å; W360-K364 HydrophobicContact CZ3-CG 4.14Å; W360-K364 WeakPolarHBondContact O-CB 3.24Å; W360-K364 WeakPolarHBondContact O-CG 3.29Å; W360-K364 PolarHBondContact O-N 3.16Å; W360-L395 HydrophobicContact CH2-CD2 3.76Å; W360-L395 HydrophobicContact CZ3-CD2 4.38Å; W360-K398 HydrophobicContact CD2-CD 4.36Å; W360-K398 HydrophobicContact CD2-CG 4.19Å; W360-K398 HydrophobicContact CE3-CG 4.06Å; W360-K398 HydrophobicContact CH2-CB 3.49Å; W360-K398 VanDerWaalsContact CH2-CB 3.49Å; W360-K398 HydrophobicContact CH2-CD 4.32Å; W360-K398 HydrophobicContact CH2-CG 3.49Å; W360-K398 VanDerWaalsContact CH2-CG 3.49Å; W360-K398 HydrophobicContact CZ2-CB 3.76Å; W360-K398 HydrophobicContact CZ2-CD 3.92Å; W360-K398 HydrophobicContact CZ2-CG 3.61Å; W360-K398 HydrophobicContact CZ3-CB 4.13Å; W360-K398 HydrophobicContact CZ3-CG 3.73Å; W360-I402 HydrophobicContact CZ3-CD1 4.2Å; W360-W455 HydrophobicContact CH2-CZ3 4.34Å; W360-W455 HydrophobicContact CZ3-CZ3 4.03Å
361	L	93.4	Very high	90.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-45.2	176.4	-73.3	169.4	0	0	0	111.3	L357 L358 K364 D365 I402 V451 E454 W455 L458	L357-L361 WeakPolarHBondContact O-CB 3.04Å; L357-L361 WeakPolarHBondContact O-CG 3.22Å; L357-L361 PolarHBondContact O-N 3.01Å; L358-L361 PolarHBondContact O-N 3.27Å; L361-K364 PolarHBondContact O-N 3.49Å; L361-D365 WeakPolarHBondContact O-CB 3.38Å; L361-D365 PolarHBondContact O-N 2.83Å; L361-I402 HydrophobicContact CD2-CD1 4.23Å; L361-V451 HydrophobicContact CD1-CB 4.46Å; L361-V451 HydrophobicContact CD1-CG1 4.07Å; L361-V451 WeakPolarHBondContact CD1-O 3.36Å; L361-E454 HydrophobicContact CB-CB 4.38Å; L361-E454 HydrophobicContact CD1-CB 4Å; L361-W455 HydrophobicContact CD1-CB 4.34Å; L361-W455 HydrophobicContact CD2-CB 4.11Å; L361-W455 HydrophobicContact CD2-CD2 4.47Å; L361-W455 HydrophobicContact CD2-CE3 3.61Å; L361-W455 HydrophobicContact CD2-CZ3 4.43Å; L361-L458 HydrophobicContact CD2-CD2 3.92Å
362	Q	91.8	Very high	90.4	Very high	119 Å²	119	61.6 Å²	61.6	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-60.6	-47.5	175	-75.1	176.1	-15.8	0	0	112	L358 V359 K364 D365 D366	L358-Q362 WeakPolarHBondContact O-CG 3.33Å; L358-Q362 PolarHBondContact O-N 3.34Å; V359-Q362 PolarHBondContact O-N 2.95Å; Q362-K364 VanDerWaalsContact C-N 3.26Å; Q362-K364 PolarHBondContact O-N 3.15Å; Q362-D365 PolarHBondContact O-N 3.32Å; Q362-D366 PolarHBondContact O-N 3.09Å
363	L	93.4	Very high	90.7	Very high	105 Å²	105	62.1 Å²	62.1	55%	0.55	32%	0.321	S	S	.	.	H	α-helix	trans	-59.5	-37.6	177.5	-74.3	170.1	0	0	0	112.4	V359 W360 E367	V359-L363 HydrophobicContact CG1-CD1 4.05Å; V359-L363 HydrophobicContact CG1-CG 4.49Å; V359-L363 WeakPolarHBondContact O-CG 3.45Å; V359-L363 PolarHBondContact O-N 3.2Å; W360-L363 PolarHBondContact O-N 3.01Å; L363-E367 WeakPolarHBondContact O-CB 3.45Å; L363-E367 PolarHBondContact O-N 3.42Å
364	K	93.3	Very high	90.8	Very high	24 Å²	24	61.8 Å²	61.8	10%	0.104	32%	0.316	C	S	.	.	H	α-helix	trans	-76.2	-34.1	178.8	-71.6	-72.5	166.4	-168.8	0	112.7	W360 L361 Q362 E367 L368 F391 E394 L458	W360-K364 HydrophobicContact CD2-CG 3.94Å; W360-K364 HydrophobicContact CE3-CG 4.17Å; W360-K364 HydrophobicContact CH2-CD 4.49Å; W360-K364 HydrophobicContact CH2-CG 3.87Å; W360-K364 HydrophobicContact CZ2-CD 4.01Å; W360-K364 HydrophobicContact CZ2-CG 3.61Å; W360-K364 HydrophobicContact CZ3-CG 4.14Å; W360-K364 WeakPolarHBondContact O-CB 3.24Å; W360-K364 WeakPolarHBondContact O-CG 3.29Å; W360-K364 PolarHBondContact O-N 3.16Å; L361-K364 PolarHBondContact O-N 3.49Å; Q362-K364 VanDerWaalsContact C-N 3.26Å; Q362-K364 PolarHBondContact O-N 3.15Å; K364-E367 WeakPolarHBondContact CD-OE2 3.43Å; K364-E367 WeakPolarHBondContact CE-OE2 3.45Å; K364-E367 IonicContact NZ-OE1 3.33Å; K364-E367 IonicContact NZ-OE2 3.61Å; K364-E367 PolarHBondContact NZ-OE2 2.93Å; K364-E367 PolarHBondContact O-N 3.32Å; K364-L368 WeakPolarHBondContact O-CB 3.34Å; K364-L368 PolarHBondContact O-N 2.76Å; K364-F391 HydrophobicContact CB-CE2 4.12Å; K364-F391 HydrophobicContact CB-CZ 4.12Å; K364-F391 HydrophobicContact CD-CD2 4.38Å; K364-F391 HydrophobicContact CD-CE2 3.66Å; K364-F391 HydrophobicContact CD-CZ 4.37Å; K364-F391 HydrophobicContact CG-CE2 4.49Å; K364-F391 WeakPolarHBondContact O-CE2 3.42Å; K364-F391 WeakPolarHBondContact O-CZ 3.29Å; K364-E394 IonicContact NZ-OE2 2.99Å; K364-E394 PolarHBondContact NZ-OE2 3.48Å; K364-L458 HydrophobicContact CB-CD2 3.81Å
365	D	92.2	Very high	90.8	Very high	28 Å²	28	62.5 Å²	62.5	15%	0.15	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-39.5	171.6	-165.8	49	0	0	0	111.4	L361 Q362 L368 S369 L458 H461	L361-D365 WeakPolarHBondContact O-CB 3.38Å; L361-D365 PolarHBondContact O-N 2.83Å; Q362-D365 PolarHBondContact O-N 3.32Å; D365-L368 PolarHBondContact O-N 3.25Å; D365-S369 WeakPolarHBondContact O-CB 3.49Å; D365-S369 PolarHBondContact O-N 3.32Å; D365-S369 PolarHBondContact O-OG 3.3Å; D365-L458 HydrophobicContact CB-CD1 3.96Å; D365-H461 IonicContact OD1-CE1 3.99Å; D365-H461 IonicContact OD1-CG 2.7Å; D365-H461 IonicContact OD1-ND1 2.88Å; D365-H461 PolarHBondContact OD1-ND1 3.11Å
366	D	90.7	Very high	90.7	Very high	82 Å²	82	59 Å²	59	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-63.5	-43.6	172	-77.8	-16.4	0	0	0	112	Q362 L368 S369 R370	Q362-D366 PolarHBondContact O-N 3.09Å; D366-L368 VanDerWaalsContact C-N 3.35Å; D366-S369 PolarHBondContact O-N 3.21Å; D366-R370 VanDerWaalsContact O-CG 3.32Å; D366-R370 WeakPolarHBondContact O-CG 3.46Å; D366-R370 PolarHBondContact O-N 3.09Å
367	E	91.9	Very high	90.6	Very high	73 Å²	73	54.6 Å²	54.6	34%	0.341	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-43.4	176.2	-176.3	179.9	176.2	0	0	111.6	L363 K364 R370 F391	L363-E367 WeakPolarHBondContact O-CB 3.45Å; L363-E367 PolarHBondContact O-N 3.42Å; K364-E367 WeakPolarHBondContact CD-OE2 3.43Å; K364-E367 WeakPolarHBondContact CE-OE2 3.45Å; K364-E367 IonicContact NZ-OE1 3.33Å; K364-E367 IonicContact NZ-OE2 3.61Å; K364-E367 PolarHBondContact NZ-OE2 2.93Å; K364-E367 PolarHBondContact O-N 3.32Å; E367-R370 PolarHBondContact O-N 3.07Å; E367-F391 HydrophobicContact CB-CE2 4.38Å; E367-F391 HydrophobicContact CG-CD2 4.48Å; E367-F391 HydrophobicContact CG-CE2 4.4Å
368	L	92.6	Very high	90.5	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-43.6	175.2	-177.9	59.1	0	0	0	111.3	K364 D365 D366 R370 Q371 H388 F391 L458 H461 W465	K364-L368 WeakPolarHBondContact O-CB 3.34Å; K364-L368 PolarHBondContact O-N 2.76Å; D365-L368 PolarHBondContact O-N 3.25Å; D366-L368 VanDerWaalsContact C-N 3.35Å; L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 3.2Å; L368-Q371 WeakPolarHBondContact O-CB 3.34Å; L368-Q371 PolarHBondContact O-N 3.33Å; L368-Q371 VanDerWaalsContact O-N 3.08Å; L368-H388 VanDerWaalsContact CD1-CE1 3.49Å; L368-H388 WeakPolarHBondContact CD1-CE1 3.5Å; L368-F391 HydrophobicContact CB-CE1 4.22Å; L368-F391 HydrophobicContact CB-CE2 4.43Å; L368-F391 HydrophobicContact CB-CZ 3.91Å; L368-F391 HydrophobicContact CD1-CD1 4.4Å; L368-F391 HydrophobicContact CD1-CE1 4.2Å; L368-F391 HydrophobicContact CD2-CE1 4.18Å; L368-F391 HydrophobicContact CG-CE1 4.45Å; L368-L458 HydrophobicContact CD2-CD1 4.09Å; L368-H461 HydrophobicContact CD2-CB 3.89Å; L368-W465 HydrophobicContact CD1-CB 4.08Å; L368-W465 HydrophobicContact CD1-CG 3.9Å
369	S	90.3	Very high	90.4	Very high	56 Å²	56	59.7 Å²	59.7	39%	0.392	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-34	178.3	-61.8	0	0	0	0	112.8	D365 D366 Q371 A372	D365-S369 WeakPolarHBondContact O-CB 3.49Å; D365-S369 PolarHBondContact O-N 3.32Å; D365-S369 PolarHBondContact O-OG 3.3Å; D366-S369 PolarHBondContact O-N 3.21Å; S369-Q371 PolarHBondContact O-N 2.85Å; S369-A372 PolarHBondContact O-N 3.45Å
370	R	90.8	Very high	90.2	Very high	198 Å²	198	57.6 Å²	57.6	75%	0.747	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-14	175.8	-74.8	173.9	-173.5	158.5	6.9	114.3	D366 E367 L368 A372	D366-R370 VanDerWaalsContact O-CG 3.32Å; D366-R370 WeakPolarHBondContact O-CG 3.46Å; D366-R370 PolarHBondContact O-N 3.09Å; E367-R370 PolarHBondContact O-N 3.07Å; L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 3.2Å; R370-A372 PolarHBondContact O-N 3.17Å
371	Q	88.1	Confident	90.1	Very high	25 Å²	25	55.3 Å²	55.3	12%	0.117	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17	176.2	-59.8	-172.7	26.5	0	0	112.5	L368 S369 Q384 W465	L368-Q371 WeakPolarHBondContact O-CB 3.34Å; L368-Q371 PolarHBondContact O-N 3.33Å; L368-Q371 VanDerWaalsContact O-N 3.08Å; S369-Q371 PolarHBondContact O-N 2.85Å; Q371-Q384 PolarHBondContact O-NE2 2.88Å; Q371-Q384 VanDerWaalsContact O-NE2 3.16Å; Q371-W465 HydrophobicContact CB-CZ2 3.68Å; Q371-W465 WeakPolarHBondContact O-CZ2 3.4Å
372	A	84.8	Confident	90	Very high	55 Å²	55	58.1 Å²	58.1	46%	0.455	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-74.8	147.1	171.8	0	0	0	0	0	111.6	S369 R370 W465	S369-A372 PolarHBondContact O-N 3.45Å; R370-A372 PolarHBondContact O-N 3.17Å; A372-W465 HydrophobicContact CB-CH2 4.12Å; A372-W465 HydrophobicContact CB-CZ3 4.29Å
373	P	87.7	Confident	90	Very high	110 Å²	110	59.6 Å²	59.6	71%	0.714	32%	0.323	S	S	*	.	S	Bend	cis	-83.3	163.2	2.6	33.8	-35.3	0	0	0	113.8	Q384	P373-Q384 PolarHBondContact O-NE2 2.92Å
374	I	89.1	Confident	90	Very high	28 Å²	28	56.5 Å²	56.5	14%	0.144	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.6	138.8	173.2	-61.3	177.4	0	0	0	109.4	V381 W465 K468 T472 I547	I374-V381 HydrophobicContact CG2-CG1 4.22Å; I374-V381 HydrophobicContact CG2-CG2 3.76Å; I374-W465 HydrophobicContact CD1-CH2 4.26Å; I374-W465 HydrophobicContact CD1-CZ3 4.06Å; I374-W465 HydrophobicContact CG1-CH2 3.37Å; I374-W465 HydrophobicContact CG1-CZ2 4.23Å; I374-W465 HydrophobicContact CG1-CZ3 3.63Å; I374-K468 HydrophobicContact CD1-CB 3.79Å; I374-T472 HydrophobicContact CG2-CG2 3.75Å; I374-I547 HydrophobicContact CG2-CD1 4.46Å
375	G	86.8	Confident	90	Very high	15 Å²	15	55.4 Å²	55.4	16%	0.155	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-63.2	156.9	178.9	0	0	0	0	0	113.9	V381 I547	G375-V381 WeakPolarHBondContact O-CG2 3.26Å; G375-I547 WeakPolarHBondContact O-CG2 3.31Å
376	G	86.7	Confident	90	Very high	13 Å²	13	57.8 Å²	57.8	13%	0.134	31%	0.313	C	S	.	.	S	Bend	trans	-92.9	-0.5	-175.8	0	0	0	0	0	116.3	Q548 S550 N553	G376-Q548 WeakPolarHBondContact CA-O 3.41Å; G376-S550 PolarHBondContact O-N 2.89Å; G376-N553 PolarHBondContact O-ND2 2.86Å
377	D	88.1	Confident	90.1	Very high	49 Å²	49	57.4 Å²	57.4	26%	0.262	31%	0.314	S	S	.	.	S	Bend	trans	-140.7	160.2	179	61.2	37.8	0	0	0	112	P379 A380 V381	D377-P379 WeakPolarHBondContact OD1-CD 3.43Å; D377-A380 PolarHBondContact O-N 2.82Å; D377-A380 WeakPolarHBondContact OD1-CB 3.49Å; D377-A380 PolarHBondContact OD1-N 3.42Å; D377-V381 WeakPolarHBondContact O-CG2 3.48Å; D377-V381 PolarHBondContact O-N 3.4Å; D377-V381 VanDerWaalsContact O-N 3.12Å
378	F	89.6	Confident	90.3	Very high	47 Å²	47	54 Å²	54	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-45.9	-175.2	-176.3	-86.3	0	0	0	112.6	A380 V381 Q382 L473 L476 R477	F378-A380 PolarHBondContact O-N 3.35Å; F378-V381 PolarHBondContact O-N 3.45Å; F378-Q382 HydrophobicContact CE1-CB 4.44Å; F378-Q382 VanDerWaalsContact O-CB 3.25Å; F378-Q382 WeakPolarHBondContact O-CB 3.22Å; F378-Q382 PolarHBondContact O-N 3.45Å; F378-L473 HydrophobicContact CD2-CD2 3.93Å; F378-L473 HydrophobicContact CE2-CD2 3.81Å; F378-L473 HydrophobicContact CZ-CD2 4.31Å; F378-L476 HydrophobicContact CB-CB 4.42Å; F378-L476 HydrophobicContact CD2-CB 4.38Å; F378-R477 HydrophobicContact CE2-CB 4.3Å
379	P	89.1	Confident	90.3	Very high	94 Å²	94	60.1 Å²	60.1	61%	0.61	32%	0.321	S	S	*	.	H	α-helix	trans	-62	-40.2	178.3	-23.9	35.4	0	0	0	114.1	D377 Q382 K383	D377-P379 WeakPolarHBondContact OD1-CD 3.43Å; P379-Q382 PolarHBondContact O-N 3.31Å; P379-K383 WeakPolarHBondContact O-CB 3.41Å; P379-K383 PolarHBondContact O-N 3.39Å
380	A	89.8	Confident	90.4	Very high	38 Å²	38	58.7 Å²	58.7	31%	0.314	31%	0.313	S	S	.	.	H	α-helix	trans	-65.7	-45.6	178.8	0	0	0	0	0	111.5	D377 F378 Q382 K383 Q384	D377-A380 PolarHBondContact O-N 2.82Å; D377-A380 WeakPolarHBondContact OD1-CB 3.49Å; D377-A380 PolarHBondContact OD1-N 3.42Å; F378-A380 PolarHBondContact O-N 3.35Å; A380-Q382 VanDerWaalsContact C-N 3.34Å; A380-K383 PolarHBondContact O-N 3.46Å; A380-Q384 WeakPolarHBondContact O-CG 3.27Å; A380-Q384 PolarHBondContact O-N 3.37Å
381	V	92.4	Very high	90.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.8	-35	178.7	-175	0	0	0	0	111	I374 G375 D377 F378 K383 Q384 N385 I469 T472 L473 L476	I374-V381 HydrophobicContact CG2-CG1 4.22Å; I374-V381 HydrophobicContact CG2-CG2 3.76Å; G375-V381 WeakPolarHBondContact O-CG2 3.26Å; D377-V381 WeakPolarHBondContact O-CG2 3.48Å; D377-V381 PolarHBondContact O-N 3.4Å; D377-V381 VanDerWaalsContact O-N 3.12Å; F378-V381 PolarHBondContact O-N 3.45Å; V381-K383 PolarHBondContact O-N 2.95Å; V381-Q384 WeakPolarHBondContact O-CB 3.43Å; V381-Q384 PolarHBondContact O-N 3.09Å; V381-N385 PolarHBondContact O-N 3.17Å; V381-I469 HydrophobicContact CG1-CG2 3.96Å; V381-T472 HydrophobicContact CG1-CG2 4.04Å; V381-T472 HydrophobicContact CG2-CG2 3.92Å; V381-L473 HydrophobicContact CB-CD2 3.84Å; V381-L473 HydrophobicContact CB-CG 4.34Å; V381-L473 HydrophobicContact CG1-CD1 4.49Å; V381-L473 HydrophobicContact CG1-CD2 3.73Å; V381-L473 HydrophobicContact CG1-CG 3.66Å; V381-L476 HydrophobicContact CB-CD1 4.27Å; V381-L476 HydrophobicContact CG2-CD1 3.71Å
382	Q	91.4	Very high	90.8	Very high	59 Å²	59	52.2 Å²	52.2	28%	0.276	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-43.5	174.7	-177.6	59.8	46.6	0	0	111.1	F378 P379 A380 Q384 N385 D386 L473	F378-Q382 HydrophobicContact CE1-CB 4.44Å; F378-Q382 VanDerWaalsContact O-CB 3.25Å; F378-Q382 WeakPolarHBondContact O-CB 3.22Å; F378-Q382 PolarHBondContact O-N 3.45Å; P379-Q382 PolarHBondContact O-N 3.31Å; A380-Q382 VanDerWaalsContact C-N 3.34Å; Q382-Q384 VanDerWaalsContact C-N 3.33Å; Q382-Q384 PolarHBondContact O-N 3.07Å; Q382-N385 WeakPolarHBondContact O-CB 3.48Å; Q382-N385 PolarHBondContact O-N 3.43Å; Q382-D386 PolarHBondContact NE2-OD1 2.96Å; Q382-D386 PolarHBondContact O-N 3.11Å; Q382-L473 HydrophobicContact CB-CD2 4.26Å
383	K	91.6	Very high	91.2	Very high	151 Å²	151	57.1 Å²	57.1	66%	0.657	30%	0.296	S	S	*	.	H	α-helix	trans	-61.8	-40.7	173.7	-175.1	-178.3	178	-176.1	0	111.8	P379 A380 V381 N385 D386 V387	P379-K383 WeakPolarHBondContact O-CB 3.41Å; P379-K383 PolarHBondContact O-N 3.39Å; A380-K383 PolarHBondContact O-N 3.46Å; V381-K383 PolarHBondContact O-N 2.95Å; K383-N385 VanDerWaalsContact C-N 3.34Å; K383-D386 PolarHBondContact O-N 3.49Å; K383-V387 WeakPolarHBondContact O-CG2 3.44Å; K383-V387 PolarHBondContact O-N 3.07Å
384	Q	92.6	Very high	91.4	Very high	39 Å²	39	55.8 Å²	55.8	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-39.4	174.1	-73.8	176.2	-47.2	0	0	111.8	Q371 P373 A380 V381 Q382 D386 V387 H388 I469	Q371-Q384 PolarHBondContact O-NE2 2.88Å; Q371-Q384 VanDerWaalsContact O-NE2 3.16Å; P373-Q384 PolarHBondContact O-NE2 2.92Å; A380-Q384 WeakPolarHBondContact O-CG 3.27Å; A380-Q384 PolarHBondContact O-N 3.37Å; V381-Q384 WeakPolarHBondContact O-CB 3.43Å; V381-Q384 PolarHBondContact O-N 3.09Å; Q382-Q384 VanDerWaalsContact C-N 3.33Å; Q382-Q384 PolarHBondContact O-N 3.07Å; Q384-D386 PolarHBondContact O-N 3.13Å; Q384-V387 PolarHBondContact O-N 3.37Å; Q384-H388 WeakPolarHBondContact O-CB 3.4Å; Q384-H388 PolarHBondContact O-N 3.09Å; Q384-I469 HydrophobicContact CB-CD1 4.26Å
385	N	93.6	Very high	91.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-44.8	173.7	-161.1	-58.8	0	0	0	111.3	V381 Q382 K383 V387 H388 R389 Q466 I469 D470 L473	V381-N385 PolarHBondContact O-N 3.17Å; Q382-N385 WeakPolarHBondContact O-CB 3.48Å; Q382-N385 PolarHBondContact O-N 3.43Å; K383-N385 VanDerWaalsContact C-N 3.34Å; N385-V387 PolarHBondContact O-N 3.29Å; N385-H388 PolarHBondContact O-N 2.86Å; N385-R389 WeakPolarHBondContact O-CB 3.27Å; N385-R389 VanDerWaalsContact O-CG 3.32Å; N385-R389 WeakPolarHBondContact O-CG 3.41Å; N385-R389 PolarHBondContact O-N 2.81Å; N385-R389 PolarHBondContact OD1-NE 2.8Å; N385-Q466 PolarHBondContact ND2-NE2 3.11Å; N385-I469 HydrophobicContact CB-CG2 3.58Å; N385-I469 WeakPolarHBondContact ND2-CG2 3.22Å; N385-D470 PolarHBondContact ND2-OD1 3.2Å; N385-L473 HydrophobicContact CB-CD1 4.06Å; N385-L473 VanDerWaalsContact ND2-CD1 3.32Å; N385-L473 WeakPolarHBondContact ND2-CD1 3.19Å
386	D	92.9	Very high	91.8	Very high	78 Å²	78	61.4 Å²	61.4	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-64.5	-40.9	179.7	-66.4	-29	0	0	0	112.3	Q382 K383 Q384 R389 A390	Q382-D386 PolarHBondContact NE2-OD1 2.96Å; Q382-D386 PolarHBondContact O-N 3.11Å; K383-D386 PolarHBondContact O-N 3.49Å; Q384-D386 PolarHBondContact O-N 3.13Å; D386-R389 PolarHBondContact O-N 3.08Å; D386-A390 PolarHBondContact O-N 3.42Å; D386-A390 VanDerWaalsContact O-N 3.12Å
387	V	93	Very high	92.1	Very high	75 Å²	75	65.7 Å²	65.7	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-47.1	173.3	172	0	0	0	0	110.5	K383 Q384 N385 R389 A390 F391	K383-V387 WeakPolarHBondContact O-CG2 3.44Å; K383-V387 PolarHBondContact O-N 3.07Å; Q384-V387 PolarHBondContact O-N 3.37Å; N385-V387 PolarHBondContact O-N 3.29Å; V387-R389 VanDerWaalsContact C-N 3.34Å; V387-R389 PolarHBondContact O-N 3.21Å; V387-A390 WeakPolarHBondContact O-CA 3.33Å; V387-A390 VanDerWaalsContact O-CB 3.3Å; V387-A390 WeakPolarHBondContact O-CB 3.42Å; V387-A390 PolarHBondContact O-N 3.1Å; V387-F391 PolarHBondContact O-N 3.34Å
388	H	94.6	Very high	92.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.3	-34.5	178.8	-168.7	47.1	0	0	0	112.8	L368 Q384 N385 A390 F391 K392 S462 W465 Q466 I469	L368-H388 VanDerWaalsContact CD1-CE1 3.49Å; L368-H388 WeakPolarHBondContact CD1-CE1 3.5Å; Q384-H388 WeakPolarHBondContact O-CB 3.4Å; Q384-H388 PolarHBondContact O-N 3.09Å; N385-H388 PolarHBondContact O-N 2.86Å; H388-A390 VanDerWaalsContact C-N 3.26Å; H388-A390 PolarHBondContact O-N 3.31Å; H388-F391 AromaticContact CE1-CD1 3.83Å; H388-F391 AromaticContact ND1-CD1 3.75Å; H388-F391 WeakPolarHBondContact O-CB 3.17Å; H388-F391 PolarHBondContact O-N 2.97Å; H388-K392 WeakPolarHBondContact O-CG 3.42Å; H388-K392 PolarHBondContact O-N 2.83Å; H388-S462 PolarHBondContact CE1-OG 2.85Å; H388-S462 PolarHBondContact NE2-O 3.39Å; H388-S462 PolarHBondContact NE2-OG 3.22Å; H388-W465 AromaticContact CD2-CD1 3.69Å; H388-W465 AromaticContact CE1-CD1 3.67Å; H388-W465 AromaticContact CG-CD1 3.59Å; H388-W465 AromaticContact ND1-CD1 3.61Å; H388-W465 AromaticContact NE2-CD1 3.72Å; H388-Q466 PolarHBondContact CD2-OE1 2.97Å; H388-Q466 VanDerWaalsContact CD2-OE1 3.24Å; H388-I469 HydrophobicContact CB-CD1 4.11Å
389	R	93.2	Very high	92.4	Very high	131 Å²	131	68.4 Å²	68.4	49%	0.494	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-35.9	170.2	-77.4	177.6	-173	-170.8	-1.2	111.9	N385 D386 V387 R393	N385-R389 WeakPolarHBondContact O-CB 3.27Å; N385-R389 VanDerWaalsContact O-CG 3.32Å; N385-R389 WeakPolarHBondContact O-CG 3.41Å; N385-R389 PolarHBondContact O-N 2.81Å; N385-R389 PolarHBondContact OD1-NE 2.8Å; D386-R389 PolarHBondContact O-N 3.08Å; V387-R389 VanDerWaalsContact C-N 3.34Å; V387-R389 PolarHBondContact O-N 3.21Å; R389-R393 WeakPolarHBondContact O-CG 3.49Å; R389-R393 PolarHBondContact O-N 3.13Å; R389-R393 VanDerWaalsContact O-N 3.14Å; R389-R393 PolarHBondContact O-NE 3.41Å
390	A	92.4	Very high	92.6	Very high	27 Å²	27	67.7 Å²	67.7	22%	0.223	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-46	172.6	0	0	0	0	0	111.4	D386 V387 H388 K392 R393 E394	D386-A390 PolarHBondContact O-N 3.42Å; D386-A390 VanDerWaalsContact O-N 3.12Å; V387-A390 WeakPolarHBondContact O-CA 3.33Å; V387-A390 VanDerWaalsContact O-CB 3.3Å; V387-A390 WeakPolarHBondContact O-CB 3.42Å; V387-A390 PolarHBondContact O-N 3.1Å; H388-A390 VanDerWaalsContact C-N 3.26Å; H388-A390 PolarHBondContact O-N 3.31Å; A390-K392 PolarHBondContact O-N 3.13Å; A390-R393 VanDerWaalsContact CA-CZ 3.44Å; A390-R393 VanDerWaalsContact CA-NH2 3.32Å; A390-R393 WeakPolarHBondContact O-CB 3.2Å; A390-R393 PolarHBondContact O-N 2.94Å; A390-R393 VanDerWaalsContact O-N 3.09Å; A390-E394 PolarHBondContact O-N 3.46Å
391	F	94.4	Very high	92.7	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-56.1	-47	174.6	-178.1	-95.4	0	0	0	112.5	K364 E367 L368 V387 H388 R393 E394 L395 L458	K364-F391 HydrophobicContact CB-CE2 4.12Å; K364-F391 HydrophobicContact CB-CZ 4.12Å; K364-F391 HydrophobicContact CD-CD2 4.38Å; K364-F391 HydrophobicContact CD-CE2 3.66Å; K364-F391 HydrophobicContact CD-CZ 4.37Å; K364-F391 HydrophobicContact CG-CE2 4.49Å; K364-F391 WeakPolarHBondContact O-CE2 3.42Å; K364-F391 WeakPolarHBondContact O-CZ 3.29Å; E367-F391 HydrophobicContact CB-CE2 4.38Å; E367-F391 HydrophobicContact CG-CD2 4.48Å; E367-F391 HydrophobicContact CG-CE2 4.4Å; L368-F391 HydrophobicContact CB-CE1 4.22Å; L368-F391 HydrophobicContact CB-CE2 4.43Å; L368-F391 HydrophobicContact CB-CZ 3.91Å; L368-F391 HydrophobicContact CD1-CD1 4.4Å; L368-F391 HydrophobicContact CD1-CE1 4.2Å; L368-F391 HydrophobicContact CD2-CE1 4.18Å; L368-F391 HydrophobicContact CG-CE1 4.45Å; V387-F391 PolarHBondContact O-N 3.34Å; H388-F391 AromaticContact CE1-CD1 3.83Å; H388-F391 AromaticContact ND1-CD1 3.75Å; H388-F391 WeakPolarHBondContact O-CB 3.17Å; H388-F391 PolarHBondContact O-N 2.97Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.99Å; F391-E394 WeakPolarHBondContact O-CB 3.48Å; F391-E394 PolarHBondContact O-N 3.43Å; F391-E394 VanDerWaalsContact O-N 3.08Å; F391-L395 HydrophobicContact CD1-CD1 4.11Å; F391-L395 HydrophobicContact CD1-CG 4.16Å; F391-L395 HydrophobicContact CE1-CD1 3.61Å; F391-L395 HydrophobicContact CE1-CD2 4.03Å; F391-L395 HydrophobicContact CE1-CG 3.86Å; F391-L395 HydrophobicContact CZ-CD1 4.38Å; F391-L395 HydrophobicContact CZ-CD2 4.01Å; F391-L395 HydrophobicContact CZ-CG 4.33Å; F391-L395 PolarHBondContact O-N 3.22Å; F391-L458 HydrophobicContact CZ-CD1 4.15Å
392	K	92.7	Very high	92.7	Very high	82 Å²	82	69.1 Å²	69.1	36%	0.357	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-34.1	175.9	-69.6	-175.8	92.8	171.7	0	113	H388 A390 E394 L395 K396	H388-K392 WeakPolarHBondContact O-CG 3.42Å; H388-K392 PolarHBondContact O-N 2.83Å; A390-K392 PolarHBondContact O-N 3.13Å; K392-E394 VanDerWaalsContact C-N 3.35Å; K392-L395 PolarHBondContact O-N 2.68Å; K392-K396 WeakPolarHBondContact O-CB 3.4Å; K392-K396 PolarHBondContact O-N 3Å
393	R	93	Very high	92.7	Very high	159 Å²	159	71 Å²	71	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-63.4	-42.6	172.4	-78.1	-178.8	-84.9	113.8	-10.2	110.8	R389 A390 F391 K396 T397	R389-R393 WeakPolarHBondContact O-CG 3.49Å; R389-R393 PolarHBondContact O-N 3.13Å; R389-R393 VanDerWaalsContact O-N 3.14Å; R389-R393 PolarHBondContact O-NE 3.41Å; A390-R393 VanDerWaalsContact CA-CZ 3.44Å; A390-R393 VanDerWaalsContact CA-NH2 3.32Å; A390-R393 WeakPolarHBondContact O-CB 3.2Å; A390-R393 PolarHBondContact O-N 2.94Å; A390-R393 VanDerWaalsContact O-N 3.09Å; F391-R393 VanDerWaalsContact C-N 3.3Å; F391-R393 PolarHBondContact O-N 2.99Å; R393-K396 PolarHBondContact O-N 2.98Å; R393-T397 WeakPolarHBondContact O-CG2 3.45Å; R393-T397 PolarHBondContact O-N 3.49Å
394	E	91.8	Very high	92.7	Very high	81 Å²	81	67.2 Å²	67.2	38%	0.379	34%	0.336	S	S	.	.	H	α-helix	trans	-63.4	-43.9	175.6	-67.6	179.5	-157.8	0	0	112.3	K364 A390 F391 K392 K396 T397 K398	K364-E394 IonicContact NZ-OE2 2.99Å; K364-E394 PolarHBondContact NZ-OE2 3.48Å; A390-E394 PolarHBondContact O-N 3.46Å; F391-E394 WeakPolarHBondContact O-CB 3.48Å; F391-E394 PolarHBondContact O-N 3.43Å; F391-E394 VanDerWaalsContact O-N 3.08Å; K392-E394 VanDerWaalsContact C-N 3.35Å; E394-K396 VanDerWaalsContact C-N 3.33Å; E394-K396 PolarHBondContact O-N 2.77Å; E394-T397 WeakPolarHBondContact CA-OG1 3.14Å; E394-T397 PolarHBondContact O-N 3.43Å; E394-T397 VanDerWaalsContact O-N 3.13Å; E394-T397 PolarHBondContact O-OG1 2.99Å; E394-K398 PolarHBondContact O-N 3.23Å
395	L	93.3	Very high	92.4	Very high	5 Å²	5	66 Å²	66	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-56.1	-49	173.6	-63.7	-169.8	0	0	0	110.9	W360 F391 K392 T397 K398 E399 W455 L458	W360-L395 HydrophobicContact CH2-CD2 3.76Å; W360-L395 HydrophobicContact CZ3-CD2 4.38Å; F391-L395 HydrophobicContact CD1-CD1 4.11Å; F391-L395 HydrophobicContact CD1-CG 4.16Å; F391-L395 HydrophobicContact CE1-CD1 3.61Å; F391-L395 HydrophobicContact CE1-CD2 4.03Å; F391-L395 HydrophobicContact CE1-CG 3.86Å; F391-L395 HydrophobicContact CZ-CD1 4.38Å; F391-L395 HydrophobicContact CZ-CD2 4.01Å; F391-L395 HydrophobicContact CZ-CG 4.33Å; F391-L395 PolarHBondContact O-N 3.22Å; K392-L395 PolarHBondContact O-N 2.68Å; L395-T397 PolarHBondContact O-N 3.22Å; L395-K398 PolarHBondContact O-N 3.47Å; L395-E399 PolarHBondContact O-N 3.49Å; L395-W455 HydrophobicContact CB-CH2 4.07Å; L395-W455 HydrophobicContact CB-CZ3 4.39Å; L395-W455 HydrophobicContact CD2-CZ3 4.11Å; L395-W455 WeakPolarHBondContact O-CH2 3.37Å; L395-L458 HydrophobicContact CD1-CG 4.49Å; L395-L458 HydrophobicContact CD2-CD2 3.78Å; L395-L458 HydrophobicContact CD2-CG 4.45Å
396	K	91.6	Very high	92.2	Very high	156 Å²	156	67.1 Å²	67.1	68%	0.678	34%	0.338	S	S	*	.	H	α-helix	trans	-59.7	-33.1	178.5	-167.8	173.7	-175.7	176.4	0	113	K392 R393 E394 P400	K392-K396 WeakPolarHBondContact O-CB 3.4Å; K392-K396 PolarHBondContact O-N 3Å; R393-K396 PolarHBondContact O-N 2.98Å; E394-K396 VanDerWaalsContact C-N 3.33Å; E394-K396 PolarHBondContact O-N 2.77Å; K396-P400 WeakPolarHBondContact O-CD 3.46Å
397	T	92.9	Very high	91.9	Very high	103 Å²	103	67.4 Å²	67.4	63%	0.632	34%	0.337	S	S	*	.	H	α-helix	trans	-73	-28.7	173.9	58.7	0	0	0	0	113.4	R393 E394 L395 P400	R393-T397 WeakPolarHBondContact O-CG2 3.45Å; R393-T397 PolarHBondContact O-N 3.49Å; E394-T397 WeakPolarHBondContact CA-OG1 3.14Å; E394-T397 PolarHBondContact O-N 3.43Å; E394-T397 VanDerWaalsContact O-N 3.13Å; E394-T397 PolarHBondContact O-OG1 2.99Å; L395-T397 PolarHBondContact O-N 3.22Å; T397-P400 WeakPolarHBondContact O-CD 3.25Å
398	K	92	Very high	91.4	Very high	65 Å²	65	67 Å²	67	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-85.8	-26.8	179.8	-157.2	77.2	168.4	178.8	0	113.2	W360 E394 L395 V401 I402	W360-K398 HydrophobicContact CD2-CD 4.36Å; W360-K398 HydrophobicContact CD2-CG 4.19Å; W360-K398 HydrophobicContact CE3-CG 4.06Å; W360-K398 HydrophobicContact CH2-CB 3.49Å; W360-K398 VanDerWaalsContact CH2-CB 3.49Å; W360-K398 HydrophobicContact CH2-CD 4.32Å; W360-K398 HydrophobicContact CH2-CG 3.49Å; W360-K398 VanDerWaalsContact CH2-CG 3.49Å; W360-K398 HydrophobicContact CZ2-CB 3.76Å; W360-K398 HydrophobicContact CZ2-CD 3.92Å; W360-K398 HydrophobicContact CZ2-CG 3.61Å; W360-K398 HydrophobicContact CZ3-CB 4.13Å; W360-K398 HydrophobicContact CZ3-CG 3.73Å; E394-K398 PolarHBondContact O-N 3.23Å; L395-K398 PolarHBondContact O-N 3.47Å; K398-V401 WeakPolarHBondContact O-CB 3.49Å; K398-V401 PolarHBondContact O-N 2.91Å; K398-I402 HydrophobicContact CG-CD1 4.24Å; K398-I402 HydrophobicContact CG-CG1 4.44Å; K398-I402 PolarHBondContact O-N 2.89Å; K398-I402 VanDerWaalsContact O-N 3.15Å
399	E	92.6	Very high	90.9	Very high	89 Å²	89	67.1 Å²	67.1	42%	0.416	34%	0.335	S	S	.	.	H	α-helix	trans	-42.9	-52.7	177.1	-176.5	174.3	-164.5	0	0	114.6	L395 V401 I402 M403 W455	L395-E399 PolarHBondContact O-N 3.49Å; E399-V401 PolarHBondContact O-N 3.32Å; E399-I402 PolarHBondContact O-N 3.15Å; E399-M403 HydrophobicContact CG-CG 4.39Å; E399-M403 WeakPolarHBondContact O-CG 3.48Å; E399-M403 PolarHBondContact O-N 3.03Å; E399-W455 HydrophobicContact CB-CH2 4.11Å; E399-W455 HydrophobicContact CB-CZ2 3.69Å; E399-W455 HydrophobicContact CG-CZ2 3.89Å
400	P	92.4	Very high	90.5	Very high	78 Å²	78	68.3 Å²	68.3	51%	0.506	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-30.4	-179.8	23.9	-35	0	0	0	113.2	K396 T397 S404	K396-P400 WeakPolarHBondContact O-CD 3.46Å; T397-P400 WeakPolarHBondContact O-CD 3.25Å; P400-S404 WeakPolarHBondContact O-CB 3.4Å; P400-S404 PolarHBondContact O-N 3.02Å
401	V	92	Very high	90	Very high	69 Å²	69	70.8 Å²	70.8	42%	0.418	35%	0.348	S	S	.	.	H	α-helix	trans	-70.6	-44.7	177.5	-177.5	0	0	0	0	110.2	K398 E399 S404 T405	K398-V401 WeakPolarHBondContact O-CB 3.49Å; K398-V401 PolarHBondContact O-N 2.91Å; E399-V401 PolarHBondContact O-N 3.32Å; V401-S404 PolarHBondContact O-N 3.46Å; V401-T405 WeakPolarHBondContact O-CB 3.2Å; V401-T405 PolarHBondContact O-N 3.46Å; V401-T405 PolarHBondContact O-OG1 3.29Å; V401-T405 VanDerWaalsContact O-OG1 3.1Å
402	I	92	Very high	89.1	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-49.7	177.3	-67	171.2	0	0	0	110.2	L357 W360 L361 K398 E399 S404 T405 L406 V451 W455	L357-I402 HydrophobicContact CD1-CG1 4.21Å; L357-I402 HydrophobicContact CD2-CG1 3.85Å; W360-I402 HydrophobicContact CZ3-CD1 4.2Å; L361-I402 HydrophobicContact CD2-CD1 4.23Å; K398-I402 HydrophobicContact CG-CD1 4.24Å; K398-I402 HydrophobicContact CG-CG1 4.44Å; K398-I402 PolarHBondContact O-N 2.89Å; K398-I402 VanDerWaalsContact O-N 3.15Å; E399-I402 PolarHBondContact O-N 3.15Å; I402-S404 PolarHBondContact O-N 2.97Å; I402-T405 PolarHBondContact O-N 3.04Å; I402-L406 HydrophobicContact CG2-CD1 3.87Å; I402-L406 HydrophobicContact CG2-CG 4.39Å; I402-L406 WeakPolarHBondContact O-CB 3.36Å; I402-L406 VanDerWaalsContact O-CG 3.3Å; I402-L406 WeakPolarHBondContact O-CG 3.38Å; I402-L406 PolarHBondContact O-N 2.76Å; I402-V451 HydrophobicContact CG2-CG1 4.08Å; I402-W455 HydrophobicContact CD1-CD2 3.53Å; I402-W455 HydrophobicContact CD1-CE3 3.22Å; I402-W455 HydrophobicContact CD1-CG 4.2Å; I402-W455 HydrophobicContact CD1-CH2 3.99Å; I402-W455 HydrophobicContact CD1-CZ2 4.29Å; I402-W455 HydrophobicContact CD1-CZ3 3.45Å; I402-W455 VanDerWaalsContact CD1-CZ3 3.45Å; I402-W455 HydrophobicContact CG2-CB 4.45Å; I402-W455 HydrophobicContact CG2-CD2 4.39Å; I402-W455 HydrophobicContact CG2-CG 4.12Å
403	M	92.4	Very high	88.1	Confident	99 Å²	99	68.7 Å²	68.7	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-41.8	179.4	-65	-54.9	-66.9	0	0	112	E399 L406 E407	E399-M403 HydrophobicContact CG-CG 4.39Å; E399-M403 WeakPolarHBondContact O-CG 3.48Å; E399-M403 PolarHBondContact O-N 3.03Å; M403-L406 PolarHBondContact O-N 3.28Å; M403-E407 VanDerWaalsContact O-CB 3.3Å; M403-E407 WeakPolarHBondContact O-CB 3.38Å; M403-E407 PolarHBondContact O-N 3.35Å
404	S	90.3	Very high	87	Confident	70 Å²	70	66.1 Å²	66.1	49%	0.49	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-42.1	176.6	-174	0	0	0	0	112.2	P400 V401 I402 E407 T408	P400-S404 WeakPolarHBondContact O-CB 3.4Å; P400-S404 PolarHBondContact O-N 3.02Å; V401-S404 PolarHBondContact O-N 3.46Å; I402-S404 PolarHBondContact O-N 2.97Å; S404-E407 PolarHBondContact O-N 3.47Å; S404-T408 WeakPolarHBondContact O-CB 3.38Å; S404-T408 PolarHBondContact O-N 3.45Å; S404-T408 PolarHBondContact O-OG1 2.91Å
405	T	87.3	Confident	85.6	Confident	14 Å²	14	68.7 Å²	68.7	9%	0.086	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-44.3	177.6	-63.2	0	0	0	0	110.9	S353 L354 L357 V401 I402 T408 V409	S353-T405 WeakPolarHBondContact OG-CG2 3.39Å; S353-T405 PolarHBondContact OG-OG1 3.14Å; L354-T405 HydrophobicContact CD2-CG2 3.93Å; L354-T405 HydrophobicContact CG-CG2 4.36Å; L357-T405 HydrophobicContact CD1-CG2 3.88Å; V401-T405 WeakPolarHBondContact O-CB 3.2Å; V401-T405 PolarHBondContact O-N 3.46Å; V401-T405 PolarHBondContact O-OG1 3.29Å; V401-T405 VanDerWaalsContact O-OG1 3.1Å; I402-T405 PolarHBondContact O-N 3.04Å; T405-T408 PolarHBondContact O-N 3.13Å; T405-V409 VanDerWaalsContact O-CG2 3.28Å; T405-V409 WeakPolarHBondContact O-CG2 3.49Å; T405-V409 PolarHBondContact O-N 2.86Å
406	L	88.7	Confident	83.8	Confident	24 Å²	24	71.5 Å²	71.5	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-42.4	175.9	-69.5	174.9	0	0	0	112	L354 I402 M403 V409 R410 A448 V451 N452	L354-L406 HydrophobicContact CD2-CD2 4.41Å; I402-L406 HydrophobicContact CG2-CD1 3.87Å; I402-L406 HydrophobicContact CG2-CG 4.39Å; I402-L406 WeakPolarHBondContact O-CB 3.36Å; I402-L406 VanDerWaalsContact O-CG 3.3Å; I402-L406 WeakPolarHBondContact O-CG 3.38Å; I402-L406 PolarHBondContact O-N 2.76Å; M403-L406 PolarHBondContact O-N 3.28Å; L406-V409 PolarHBondContact O-N 3.26Å; L406-R410 WeakPolarHBondContact O-CB 3.37Å; L406-R410 PolarHBondContact O-N 2.98Å; L406-A448 HydrophobicContact CD2-CB 3.77Å; L406-A448 VanDerWaalsContact CD2-O 3.25Å; L406-A448 WeakPolarHBondContact CD2-O 3.47Å; L406-V451 HydrophobicContact CD2-CB 4.27Å; L406-V451 HydrophobicContact CD2-CG1 4.12Å; L406-V451 HydrophobicContact CG-CG1 4.45Å; L406-N452 HydrophobicContact CD1-CB 4.06Å
407	E	86.9	Confident	81.5	Confident	85 Å²	85	68.6 Å²	68.6	40%	0.397	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-38.8	176.5	-173.8	60	-161.2	0	0	111.6	M403 S404 V409 R410 I411	M403-E407 VanDerWaalsContact O-CB 3.3Å; M403-E407 WeakPolarHBondContact O-CB 3.38Å; M403-E407 PolarHBondContact O-N 3.35Å; S404-E407 PolarHBondContact O-N 3.47Å; E407-V409 VanDerWaalsContact C-N 3.33Å; E407-V409 PolarHBondContact O-N 3.47Å; E407-R410 WeakPolarHBondContact O-CB 3.42Å; E407-R410 PolarHBondContact O-N 3.33Å; E407-R410 WeakPolarHBondContact OE2-CD 3.43Å; E407-R410 IonicContact OE2-NH1 2.95Å; E407-I411 HydrophobicContact CG-CD1 4.07Å; E407-I411 VanDerWaalsContact O-CG1 3.32Å; E407-I411 WeakPolarHBondContact O-CG1 3.24Å; E407-I411 PolarHBondContact O-N 2.98Å
408	T	83.6	Confident	79.3	Confident	67 Å²	67	70.7 Å²	70.7	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-39.8	175.6	-51.5	0	0	0	0	111.2	L350 S404 T405 F412	L350-T408 HydrophobicContact CD2-CG2 3.76Å; S404-T408 WeakPolarHBondContact O-CB 3.38Å; S404-T408 PolarHBondContact O-N 3.45Å; S404-T408 PolarHBondContact O-OG1 2.91Å; T405-T408 PolarHBondContact O-N 3.13Å; T408-F412 VanDerWaalsContact O-CB 3.29Å; T408-F412 WeakPolarHBondContact O-CB 3.42Å; T408-F412 PolarHBondContact O-N 3.26Å
409	V	83.9	Confident	76.7	Confident	1 Å²	1	77 Å²	77	1%	0.006	40%	0.401	C	S	.	.	H	α-helix	trans	-65.5	-41.6	172.7	174.6	0	0	0	0	110.5	L350 L354 T405 L406 E407 F412 L413 L444 A448	L350-V409 HydrophobicContact CB-CG2 4.31Å; L350-V409 HydrophobicContact CD1-CG2 4.45Å; L350-V409 HydrophobicContact CD2-CG2 4.02Å; L350-V409 HydrophobicContact CG-CG2 4.49Å; L354-V409 HydrophobicContact CD1-CG2 3.89Å; L354-V409 HydrophobicContact CD2-CG2 4.25Å; L354-V409 HydrophobicContact CG-CG2 4.19Å; T405-V409 VanDerWaalsContact O-CG2 3.28Å; T405-V409 WeakPolarHBondContact O-CG2 3.49Å; T405-V409 PolarHBondContact O-N 2.86Å; L406-V409 PolarHBondContact O-N 3.26Å; E407-V409 VanDerWaalsContact C-N 3.33Å; E407-V409 PolarHBondContact O-N 3.47Å; V409-F412 PolarHBondContact O-N 3.32Å; V409-L413 HydrophobicContact CG1-CD1 3.68Å; V409-L413 HydrophobicContact CG1-CG 4.05Å; V409-L413 WeakPolarHBondContact O-CB 3.32Å; V409-L413 WeakPolarHBondContact O-CG 3.49Å; V409-L413 PolarHBondContact O-N 3.32Å; V409-L444 HydrophobicContact CG1-CB 4.47Å; V409-A448 HydrophobicContact CB-CB 4.47Å; V409-A448 HydrophobicContact CG1-CB 3.9Å
410	R	84.6	Confident	74	Confident	157 Å²	157	76.7 Å²	76.7	59%	0.592	42%	0.422	S	S	*	.	H	α-helix	trans	-60.9	-47.6	177.2	-173.4	-172.5	-177.3	179.8	2.4	112	L406 E407 L413 T414	L406-R410 WeakPolarHBondContact O-CB 3.37Å; L406-R410 PolarHBondContact O-N 2.98Å; E407-R410 WeakPolarHBondContact O-CB 3.42Å; E407-R410 PolarHBondContact O-N 3.33Å; E407-R410 WeakPolarHBondContact OE2-CD 3.43Å; E407-R410 IonicContact OE2-NH1 2.95Å; R410-L413 PolarHBondContact O-N 3.46Å; R410-T414 WeakPolarHBondContact O-CB 3.28Å; R410-T414 PolarHBondContact O-N 3.29Å; R410-T414 PolarHBondContact O-OG1 2.98Å
411	I	80.9	Confident	71.4	Confident	78 Å²	78	81 Å²	81	40%	0.4	44%	0.44	S	S	.	.	H	α-helix	trans	-59.2	-49.7	175.7	-67.6	166.1	0	0	0	109.4	E407 L413 T414 E415	E407-I411 HydrophobicContact CG-CD1 4.07Å; E407-I411 VanDerWaalsContact O-CG1 3.32Å; E407-I411 WeakPolarHBondContact O-CG1 3.24Å; E407-I411 PolarHBondContact O-N 2.98Å; I411-L413 VanDerWaalsContact C-N 3.28Å; I411-L413 PolarHBondContact O-N 2.99Å; I411-T414 PolarHBondContact O-N 2.85Å; I411-E415 HydrophobicContact CG2-CG 4.38Å; I411-E415 WeakPolarHBondContact O-CG 3.38Å; I411-E415 PolarHBondContact O-N 2.97Å
412	F	76.3	Confident	69	Low	21 Å²	21	86 Å²	86	9%	0.092	46%	0.459	C	S	.	.	H	α-helix	trans	-56.5	-38.7	176.2	178.7	-95.9	0	0	0	113.3	Q346 W347 L350 T408 V409 Q416 L444	Q346-F412 HydrophobicContact CB-CE2 4.48Å; Q346-F412 HydrophobicContact CG-CD2 4.12Å; Q346-F412 HydrophobicContact CG-CE2 4.08Å; W347-F412 HydrophobicContact CB-CE1 4.08Å; W347-F412 HydrophobicContact CB-CE2 4.36Å; W347-F412 HydrophobicContact CB-CZ 3.64Å; L350-F412 HydrophobicContact CD1-CB 3.78Å; L350-F412 HydrophobicContact CD1-CD1 3.98Å; L350-F412 HydrophobicContact CD1-CD2 4.02Å; L350-F412 HydrophobicContact CD1-CG 3.64Å; T408-F412 VanDerWaalsContact O-CB 3.29Å; T408-F412 WeakPolarHBondContact O-CB 3.42Å; T408-F412 PolarHBondContact O-N 3.26Å; V409-F412 PolarHBondContact O-N 3.32Å; F412-Q416 WeakPolarHBondContact O-CG 3.38Å; F412-L444 HydrophobicContact CD1-CD1 4.12Å; F412-L444 HydrophobicContact CE1-CD1 3.75Å
413	L	72.3	Confident	66.2	Low	22 Å²	22	96.1 Å²	96.1	12%	0.115	50%	0.502	C	S	.	.	H	α-helix	trans	-76.1	-23.6	176.9	-68.6	173.9	0	0	0	113.3	V409 R410 I411 T441 R445	V409-L413 HydrophobicContact CG1-CD1 3.68Å; V409-L413 HydrophobicContact CG1-CG 4.05Å; V409-L413 WeakPolarHBondContact O-CB 3.32Å; V409-L413 WeakPolarHBondContact O-CG 3.49Å; V409-L413 PolarHBondContact O-N 3.32Å; R410-L413 PolarHBondContact O-N 3.46Å; I411-L413 VanDerWaalsContact C-N 3.28Å; I411-L413 PolarHBondContact O-N 2.99Å; L413-T441 HydrophobicContact CD2-CG2 3.39Å; L413-R445 HydrophobicContact CD1-CB 4.03Å; L413-R445 HydrophobicContact CD1-CG 4.42Å
414	T	69.3	Low	63.7	Low	104 Å²	104	98.4 Å²	98.4	64%	0.638	52%	0.516	S	S	*	.	H	α-helix	trans	-86	-28.6	179.6	-49	0	0	0	0	111.6	R410 I411 Q416	R410-T414 WeakPolarHBondContact O-CB 3.28Å; R410-T414 PolarHBondContact O-N 3.29Å; R410-T414 PolarHBondContact O-OG1 2.98Å; I411-T414 PolarHBondContact O-N 2.85Å; T414-Q416 PolarHBondContact O-N 3.32Å
415	E	62.8	Low	61.3	Low	135 Å²	135	104.8 Å²	104.8	63%	0.631	53%	0.53	S	S	*	.	S	Bend	trans	-72.9	-2.6	172.5	-70.1	178	167.6	0	0	113.2	I411	I411-E415 HydrophobicContact CG2-CG 4.38Å; I411-E415 WeakPolarHBondContact O-CG 3.38Å; I411-E415 PolarHBondContact O-N 2.97Å
416	Q	54.4	Low	58.7	Low	65 Å²	65	113.1 Å²	113.1	30%	0.304	57%	0.568	S	S	.	*	S	Bend	trans	-99.4	130.5	174.4	-65.3	-74.8	-49.4	0	0	110.2	F412 T414 L418	F412-Q416 WeakPolarHBondContact O-CG 3.38Å; T414-Q416 PolarHBondContact O-N 3.32Å; Q416-L418 PolarHBondContact O-N 3.32Å; Q416-L418 VanDerWaalsContact O-N 3.11Å
417	P	43.7	Very low	56.1	Low	95 Å²	95	120.8 Å²	120.8	62%	0.617	60%	0.604	S	S	*	*			trans	-69	112.8	-175.5	23.7	-27.7	0	0	0	111.8	E266 E419	E266-P417 WeakPolarHBondContact OE1-CD 3.47Å; P417-E419 PolarHBondContact O-N 3.25Å
418	L	46.3	Very low	54.3	Low	146 Å²	146	122.5 Å²	122.5	76%	0.764	62%	0.622	S	S	*	*			trans	-84.9	94.6	168.3	-95.4	145.5	0	0	0	109.3	Q416	Q416-L418 PolarHBondContact O-N 3.32Å; Q416-L418 VanDerWaalsContact O-N 3.11Å
419	E	37.1	Very low	52.2	Low	198 Å²	198	130.8 Å²	130.8	93%	0.925	65%	0.646	S	S	*	*			trans	-146.9	116.6	165.1	-133.2	166.4	-160.2	0	0	111.5	P417	P417-E419 PolarHBondContact O-N 3.25Å
420	G	36.3	Very low	50.2	Low	82 Å²	82	139.9 Å²	139.9	85%	0.845	69%	0.689	S	S	*	*			trans	144.6	46.1	170.8	0	0	0	0	0	116.8
421	L	38.9	Very low	47.9	Very low	169 Å²	169	138.2 Å²	138.2	89%	0.885	69%	0.69	S	S	*	*			trans	-92.6	114.5	161.2	-125.1	151.9	0	0	0	107.8
422	E	40.2	Very low	46.3	Very low	175 Å²	175	137.8 Å²	137.8	82%	0.818	69%	0.693	S	S	*	*			trans	129.6	98.3	159.8	-74.4	179.6	168.5	0	0	114.5
423	K	34.4	Very low	44.9	Very low	212 Å²	212	138.4 Å²	138.4	92%	0.922	70%	0.699	S	S	*	*				-172.9	148.1	111.2	-99.8	169.9	-173.6	177.1	0	113.1
424	L	39.1	Very low	43.6	Very low	146 Å²	146	144.4 Å²	144.4	76%	0.764	73%	0.727	S	S	*	*			trans	-74.1	155.4	-168.8	-72.1	149.2	0	0	0	115.4
425	Y	40.3	Very low	42.7	Very low	204 Å²	204	142.4 Å²	142.4	80%	0.8	71%	0.71	S	S	*	*			trans	64.3	109.5	157.4	-67.3	-71.9	0	0	0	119.9
426	Q	33.3	Very low	41.7	Very low	189 Å²	189	142.3 Å²	142.3	88%	0.883	70%	0.704	S	S	*	*				169.1	128.5	107.1	-91.2	178.6	0.2	0	0	113.3
427	E	33.7	Very low	41.4	Very low	186 Å²	186	140.4 Å²	140.4	87%	0.869	70%	0.699	S	S	*	*			trans	49.5	150.9	151.4	-80.5	-167.2	175.3	0	0	124.8
428	P	49.7	Very low	41.9	Very low	121 Å²	121	140.6 Å²	140.6	79%	0.786	69%	0.692	S	S	*	*			trans	-90	113	-163.9	34.4	-29.3	0	0	0	112.6
429	R	39.4	Very low	42.5	Very low	240 Å²	240	137.1 Å²	137.1	91%	0.906	67%	0.674	S	S	*	*			trans	-144.6	138.5	161	-111.8	176.3	-179.3	176.7	0.3	110.6
430	E	40.2	Very low	43.8	Very low	193 Å²	193	129.5 Å²	129.5	90%	0.902	64%	0.641	S	S	*	*			trans	-13.1	122.4	-177.9	-63.8	177.1	170.2	0	0	117.6
431	L	37.1	Very low	45.2	Very low	121 Å²	121	126.8 Å²	126.8	63%	0.634	61%	0.608	S	S	*	*			trans	-61.9	129.4	-166.2	-59.4	164.4	0	0	0	114.2	E435	L431-E435 WeakPolarHBondContact CB-OE2 3.31Å; L431-E435 WeakPolarHBondContact CD2-OE2 3.41Å; L431-E435 WeakPolarHBondContact CG-OE2 3.14Å
432	P	46.8	Very low	46.7	Very low	70 Å²	70	123.5 Å²	123.5	46%	0.455	58%	0.584	S	S	.	*			trans	-73.3	162.9	177.3	-15.5	29.7	0	0	0	114.9	E434 E435	P432-E434 VanDerWaalsContact C-N 3.32Å; P432-E434 PolarHBondContact O-N 3.31Å; P432-E435 PolarHBondContact O-N 3.01Å
433	P	47.5	Very low	48.4	Very low	34 Å²	34	118.6 Å²	118.6	22%	0.221	56%	0.563	C	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	-22.2	-176.2	-18.6	33.5	0	0	0	115.9	D267 K269 E435 R436	D267-P433 WeakPolarHBondContact OD1-CB 3.33Å; K269-P433 HydrophobicContact CB-CB 4.34Å; K269-P433 HydrophobicContact CB-CG 4.38Å; K269-P433 HydrophobicContact CD-CB 4.43Å; K269-P433 HydrophobicContact CD-CG 3.86Å; K269-P433 HydrophobicContact CG-CB 4.35Å; K269-P433 HydrophobicContact CG-CG 4.31Å; P433-E435 PolarHBondContact O-N 2.94Å; P433-R436 PolarHBondContact O-N 3Å
434	E	45.1	Very low	50.6	Low	148 Å²	148	108.5 Å²	108.5	69%	0.692	52%	0.519	S	S	*	.	H	α-helix	trans	-56.3	-32.4	171.3	-86.3	172.8	150.3	0	0	112.2	P432 R436 Q438	P432-E434 VanDerWaalsContact C-N 3.32Å; P432-E434 PolarHBondContact O-N 3.31Å; E434-R436 VanDerWaalsContact C-N 3.28Å; E434-R436 PolarHBondContact O-N 2.99Å; E434-Q438 VanDerWaalsContact O-CB 3.32Å; E434-Q438 WeakPolarHBondContact O-CB 3.48Å; E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.91Å
435	E	50.4	Low	52.6	Low	62 Å²	62	105.5 Å²	105.5	29%	0.29	50%	0.498	S	S	.	.	H	α-helix	trans	-69.7	-22.7	175.8	-74.1	-166	163.7	0	0	113	L431 P432 P433 N439	L431-E435 WeakPolarHBondContact CB-OE2 3.31Å; L431-E435 WeakPolarHBondContact CD2-OE2 3.41Å; L431-E435 WeakPolarHBondContact CG-OE2 3.14Å; P432-E435 PolarHBondContact O-N 3.01Å; P433-E435 PolarHBondContact O-N 2.94Å; E435-N439 VanDerWaalsContact O-CB 3.22Å; E435-N439 WeakPolarHBondContact O-CB 3.13Å; E435-N439 PolarHBondContact O-N 3.23Å; E435-N439 PolarHBondContact O-ND2 3.42Å; E435-N439 PolarHBondContact O-OD1 2.7Å
436	R	42.3	Very low	54.6	Low	132 Å²	132	101.5 Å²	101.5	50%	0.498	48%	0.484	S	S	.	.	H	α-helix	trans	-81.4	-35.6	-175.4	-68.8	-177.9	-178.3	173.1	-1.7	113.6	P433 E434 N439 V440	P433-R436 PolarHBondContact O-N 3Å; E434-R436 VanDerWaalsContact C-N 3.28Å; E434-R436 PolarHBondContact O-N 2.99Å; R436-N439 WeakPolarHBondContact O-CB 3.34Å; R436-N439 PolarHBondContact O-N 3.24Å; R436-V440 PolarHBondContact O-N 2.96Å; R436-V440 VanDerWaalsContact O-N 3.13Å
437	A	47.2	Very low	57.1	Low	25 Å²	25	93.1 Å²	93.1	21%	0.207	45%	0.445	C	S	.	.	H	α-helix	trans	-78.1	-37.2	172.2	0	0	0	0	0	111.6	E266 N439 V440 T441	E266-A437 WeakPolarHBondContact O-CB 3.38Å; A437-N439 PolarHBondContact O-N 2.7Å; A437-V440 PolarHBondContact O-N 2.83Å; A437-V440 VanDerWaalsContact O-N 3.14Å; A437-T441 PolarHBondContact O-N 3.43Å; A437-T441 PolarHBondContact O-OG1 2.98Å
438	Q	55.5	Low	59.7	Low	99 Å²	99	84.9 Å²	84.9	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-57.1	-34.5	162.5	-70.3	179.1	9.8	0	0	111.4	E434 R442	E434-Q438 VanDerWaalsContact O-CB 3.32Å; E434-Q438 WeakPolarHBondContact O-CB 3.48Å; E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.91Å; Q438-R442 WeakPolarHBondContact O-CA 3.48Å; Q438-R442 WeakPolarHBondContact O-CB 3.39Å; Q438-R442 WeakPolarHBondContact O-CG 3.31Å; Q438-R442 PolarHBondContact O-N 2.88Å
439	N	58.9	Low	61.6	Low	74 Å²	74	84.4 Å²	84.4	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-68.4	-35.5	175.3	-76	-24.6	0	0	0	113.1	E435 R436 A437 R442 L443	E435-N439 VanDerWaalsContact O-CB 3.22Å; E435-N439 WeakPolarHBondContact O-CB 3.13Å; E435-N439 PolarHBondContact O-N 3.23Å; E435-N439 PolarHBondContact O-ND2 3.42Å; E435-N439 PolarHBondContact O-OD1 2.7Å; R436-N439 WeakPolarHBondContact O-CB 3.34Å; R436-N439 PolarHBondContact O-N 3.24Å; A437-N439 PolarHBondContact O-N 2.7Å; N439-R442 PolarHBondContact OD1-NH1 2.92Å; N439-R442 VanDerWaalsContact OD1-NH1 3.1Å; N439-L443 WeakPolarHBondContact O-CA 3.44Å; N439-L443 WeakPolarHBondContact O-CB 3.34Å; N439-L443 PolarHBondContact O-N 3.5Å
440	V	62.6	Low	64	Low	38 Å²	38	76.5 Å²	76.5	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-68.9	-45.5	174.8	175.2	0	0	0	0	110.5	W347 R436 A437 L443 L444	W347-V440 HydrophobicContact CB-CG1 4.38Å; W347-V440 HydrophobicContact CD2-CG1 3.65Å; W347-V440 HydrophobicContact CE3-CG1 3.51Å; W347-V440 HydrophobicContact CG-CG1 4.06Å; W347-V440 HydrophobicContact CH2-CG2 4.44Å; W347-V440 HydrophobicContact CZ3-CG1 4.03Å; W347-V440 HydrophobicContact CZ3-CG2 4.5Å; R436-V440 PolarHBondContact O-N 2.96Å; R436-V440 VanDerWaalsContact O-N 3.13Å; A437-V440 PolarHBondContact O-N 2.83Å; A437-V440 VanDerWaalsContact O-N 3.14Å; V440-L443 PolarHBondContact O-N 3.14Å; V440-L444 HydrophobicContact CG1-CD1 4.34Å; V440-L444 WeakPolarHBondContact O-CB 3.17Å; V440-L444 PolarHBondContact O-N 3.25Å
441	T	66.8	Low	66.5	Low	24 Å²	24	67.3 Å²	67.3	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-41.7	174.8	-57.7	0	0	0	0	111.5	L413 A437 R445	L413-T441 HydrophobicContact CD2-CG2 3.39Å; A437-T441 PolarHBondContact O-N 3.43Å; A437-T441 PolarHBondContact O-OG1 2.98Å; T441-R445 WeakPolarHBondContact O-CB 3.33Å; T441-R445 PolarHBondContact O-N 2.86Å
442	R	70.9	Confident	69.1	Low	100 Å²	100	64 Å²	64	38%	0.377	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-39.1	172.9	-76.1	175.6	-133.3	169.6	-2	111.5	Q438 N439 K446	Q438-R442 WeakPolarHBondContact O-CA 3.48Å; Q438-R442 WeakPolarHBondContact O-CB 3.39Å; Q438-R442 WeakPolarHBondContact O-CG 3.31Å; Q438-R442 PolarHBondContact O-N 2.88Å; N439-R442 PolarHBondContact OD1-NH1 2.92Å; N439-R442 VanDerWaalsContact OD1-NH1 3.1Å; R442-K446 WeakPolarHBondContact O-CB 3.3Å; R442-K446 PolarHBondContact O-N 3.35Å
443	L	75.8	Confident	71.3	Confident	72 Å²	72	64.3 Å²	64.3	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-68.7	-48.5	179.5	178	65.8	0	0	0	110.9	N439 V440 R445 K446 Q447	N439-L443 WeakPolarHBondContact O-CA 3.44Å; N439-L443 WeakPolarHBondContact O-CB 3.34Å; N439-L443 PolarHBondContact O-N 3.5Å; V440-L443 PolarHBondContact O-N 3.14Å; L443-R445 VanDerWaalsContact C-N 3.33Å; L443-R445 PolarHBondContact O-N 3.27Å; L443-K446 PolarHBondContact O-N 3.46Å; L443-Q447 HydrophobicContact CD1-CG 4.25Å; L443-Q447 WeakPolarHBondContact O-CB 3.48Å; L443-Q447 VanDerWaalsContact O-CG 3.31Å; L443-Q447 WeakPolarHBondContact O-CG 3.48Å; L443-Q447 PolarHBondContact O-N 3.42Å
444	L	79.2	Confident	73.4	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-39.8	175.6	-74.7	177.7	0	0	0	111.5	W347 L350 H351 L354 V409 F412 V440 A448	W347-L444 HydrophobicContact CB-CD1 4Å; L350-L444 HydrophobicContact CB-CD2 4.22Å; H351-L444 HydrophobicContact CB-CD2 3.85Å; L354-L444 HydrophobicContact CD1-CD2 3.87Å; V409-L444 HydrophobicContact CG1-CB 4.47Å; F412-L444 HydrophobicContact CD1-CD1 4.12Å; F412-L444 HydrophobicContact CE1-CD1 3.75Å; V440-L444 HydrophobicContact CG1-CD1 4.34Å; V440-L444 WeakPolarHBondContact O-CB 3.17Å; V440-L444 PolarHBondContact O-N 3.25Å; L444-A448 VanDerWaalsContact O-CB 3.22Å; L444-A448 WeakPolarHBondContact O-CB 3.48Å; L444-A448 PolarHBondContact O-N 3.46Å
445	R	81.9	Confident	75.8	Confident	83 Å²	83	58.9 Å²	58.9	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-50.7	173.2	-176.2	-178.4	-59.5	133.7	2.6	111.3	L413 T441 L443 Q447 A448 E449	L413-R445 HydrophobicContact CD1-CB 4.03Å; L413-R445 HydrophobicContact CD1-CG 4.42Å; T441-R445 WeakPolarHBondContact O-CB 3.33Å; T441-R445 PolarHBondContact O-N 2.86Å; L443-R445 VanDerWaalsContact C-N 3.33Å; L443-R445 PolarHBondContact O-N 3.27Å; R445-Q447 PolarHBondContact O-N 3.18Å; R445-A448 PolarHBondContact O-N 2.87Å; R445-E449 HydrophobicContact CG-CG 4.49Å; R445-E449 VanDerWaalsContact CG-OE1 3.28Å; R445-E449 WeakPolarHBondContact CG-OE1 3.12Å; R445-E449 WeakPolarHBondContact O-CB 3.22Å; R445-E449 VanDerWaalsContact O-CG 3.29Å; R445-E449 WeakPolarHBondContact O-CG 3.4Å; R445-E449 PolarHBondContact O-N 3.12Å
446	K	82.6	Confident	77.8	Confident	120 Å²	120	61.2 Å²	61.2	52%	0.522	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-44.9	177.6	179.4	178.3	169.4	178.8	0	111.5	R442 L443 E449 E450	R442-K446 WeakPolarHBondContact O-CB 3.3Å; R442-K446 PolarHBondContact O-N 3.35Å; L443-K446 PolarHBondContact O-N 3.46Å; K446-E449 PolarHBondContact O-N 2.94Å; K446-E450 WeakPolarHBondContact CE-OE1 3.4Å; K446-E450 HydrophobicContact CG-CG 4.5Å; K446-E450 IonicContact NZ-OE1 3.25Å; K446-E450 WeakPolarHBondContact O-CB 3.19Å; K446-E450 VanDerWaalsContact O-CG 3.25Å; K446-E450 WeakPolarHBondContact O-CG 3.45Å; K446-E450 PolarHBondContact O-N 3.49Å
447	Q	86.1	Confident	80.2	Confident	13 Å²	13	59.6 Å²	59.6	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-68.1	-36.6	178.1	-74.9	-177.3	-47.8	0	0	112.6	H351 L354 L443 R445 E450 V451	H351-Q447 PolarHBondContact CE1-NE2 3.13Å; H351-Q447 PolarHBondContact CE1-OE1 3.23Å; H351-Q447 PolarHBondContact ND1-NE2 3.18Å; H351-Q447 PolarHBondContact ND1-OE1 3.01Å; L354-Q447 HydrophobicContact CB-CB 4.21Å; L354-Q447 HydrophobicContact CD1-CB 3.85Å; L443-Q447 HydrophobicContact CD1-CG 4.25Å; L443-Q447 WeakPolarHBondContact O-CB 3.48Å; L443-Q447 VanDerWaalsContact O-CG 3.31Å; L443-Q447 WeakPolarHBondContact O-CG 3.48Å; L443-Q447 PolarHBondContact O-N 3.42Å; R445-Q447 PolarHBondContact O-N 3.18Å; Q447-E450 PolarHBondContact O-N 2.98Å; Q447-V451 WeakPolarHBondContact O-CB 3.46Å; Q447-V451 VanDerWaalsContact O-CG2 3.29Å; Q447-V451 WeakPolarHBondContact O-CG2 3.28Å; Q447-V451 PolarHBondContact O-N 3.06Å
448	A	87.9	Confident	82.4	Confident	12 Å²	12	58.5 Å²	58.5	10%	0.099	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-40.8	173.6	0	0	0	0	0	111.7	L354 L406 V409 L444 R445 V451 N452	L354-A448 HydrophobicContact CD1-CB 4.28Å; L354-A448 HydrophobicContact CD2-CB 4.24Å; L406-A448 HydrophobicContact CD2-CB 3.77Å; L406-A448 VanDerWaalsContact CD2-O 3.25Å; L406-A448 WeakPolarHBondContact CD2-O 3.47Å; V409-A448 HydrophobicContact CB-CB 4.47Å; V409-A448 HydrophobicContact CG1-CB 3.9Å; L444-A448 VanDerWaalsContact O-CB 3.22Å; L444-A448 WeakPolarHBondContact O-CB 3.48Å; L444-A448 PolarHBondContact O-N 3.46Å; R445-A448 PolarHBondContact O-N 2.87Å; A448-V451 PolarHBondContact O-N 2.87Å; A448-N452 WeakPolarHBondContact O-CB 3.42Å; A448-N452 PolarHBondContact O-N 2.81Å
449	E	88.4	Confident	84.2	Confident	112 Å²	112	56.6 Å²	56.6	52%	0.523	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-42.3	171.9	-74.5	168.4	-173.5	0	0	111.4	R445 K446 N452 T453	R445-E449 HydrophobicContact CG-CG 4.49Å; R445-E449 VanDerWaalsContact CG-OE1 3.28Å; R445-E449 WeakPolarHBondContact CG-OE1 3.12Å; R445-E449 WeakPolarHBondContact O-CB 3.22Å; R445-E449 VanDerWaalsContact O-CG 3.29Å; R445-E449 WeakPolarHBondContact O-CG 3.4Å; R445-E449 PolarHBondContact O-N 3.12Å; K446-E449 PolarHBondContact O-N 2.94Å; E449-N452 PolarHBondContact O-N 3.22Å; E449-T453 VanDerWaalsContact O-CB 3.28Å; E449-T453 WeakPolarHBondContact O-CB 3.32Å; E449-T453 PolarHBondContact O-N 3.45Å; E449-T453 PolarHBondContact O-OG1 3.03Å
450	E	90	Very high	85.9	Confident	73 Å²	73	58.3 Å²	58.3	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-45.9	175.2	-77.1	171.8	-176.1	0	0	111.7	L358 K446 Q447 N452 T453 E454	L358-E450 HydrophobicContact CD2-CB 3.99Å; K446-E450 WeakPolarHBondContact CE-OE1 3.4Å; K446-E450 HydrophobicContact CG-CG 4.5Å; K446-E450 IonicContact NZ-OE1 3.25Å; K446-E450 WeakPolarHBondContact O-CB 3.19Å; K446-E450 VanDerWaalsContact O-CG 3.25Å; K446-E450 WeakPolarHBondContact O-CG 3.45Å; K446-E450 PolarHBondContact O-N 3.49Å; Q447-E450 PolarHBondContact O-N 2.98Å; E450-N452 VanDerWaalsContact C-N 3.33Å; E450-N452 PolarHBondContact O-N 2.9Å; E450-T453 PolarHBondContact O-N 2.88Å; E450-E454 WeakPolarHBondContact O-CB 3.43Å; E450-E454 PolarHBondContact O-N 3.44Å
451	V	92.8	Very high	87.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-45.2	174.5	166.9	0	0	0	0	110.5	L354 L357 L358 L361 I402 L406 Q447 A448 W455	L354-V451 HydrophobicContact CB-CG2 4.44Å; L354-V451 HydrophobicContact CD2-CB 4.37Å; L354-V451 HydrophobicContact CD2-CG2 3.94Å; L357-V451 HydrophobicContact CB-CG1 4.24Å; L357-V451 HydrophobicContact CB-CG2 4.13Å; L357-V451 HydrophobicContact CD1-CG1 4.23Å; L358-V451 HydrophobicContact CD1-CG2 4.37Å; L358-V451 HydrophobicContact CD2-CB 4.34Å; L358-V451 HydrophobicContact CD2-CG2 3.6Å; L358-V451 HydrophobicContact CG-CG2 3.53Å; L361-V451 HydrophobicContact CD1-CB 4.46Å; L361-V451 HydrophobicContact CD1-CG1 4.07Å; L361-V451 WeakPolarHBondContact CD1-O 3.36Å; I402-V451 HydrophobicContact CG2-CG1 4.08Å; L406-V451 HydrophobicContact CD2-CB 4.27Å; L406-V451 HydrophobicContact CD2-CG1 4.12Å; L406-V451 HydrophobicContact CG-CG1 4.45Å; Q447-V451 WeakPolarHBondContact O-CB 3.46Å; Q447-V451 VanDerWaalsContact O-CG2 3.29Å; Q447-V451 WeakPolarHBondContact O-CG2 3.28Å; Q447-V451 PolarHBondContact O-N 3.06Å; A448-V451 PolarHBondContact O-N 2.87Å; V451-W455 WeakPolarHBondContact O-CB 3.35Å; V451-W455 PolarHBondContact O-N 3.42Å
452	N	92.4	Very high	88.6	Confident	51 Å²	51	58.4 Å²	58.4	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-44.6	178.1	-169.5	71.4	0	0	0	111.3	L406 A448 E449 E450 W455 E456	L406-N452 HydrophobicContact CD1-CB 4.06Å; A448-N452 WeakPolarHBondContact O-CB 3.42Å; A448-N452 PolarHBondContact O-N 2.81Å; E449-N452 PolarHBondContact O-N 3.22Å; E450-N452 VanDerWaalsContact C-N 3.33Å; E450-N452 PolarHBondContact O-N 2.9Å; N452-W455 PolarHBondContact O-N 2.98Å; N452-E456 PolarHBondContact ND2-OE1 3.05Å; N452-E456 WeakPolarHBondContact O-CB 3.46Å; N452-E456 WeakPolarHBondContact O-CG 3.34Å; N452-E456 PolarHBondContact O-N 2.81Å
453	T	92.6	Very high	89.7	Confident	78 Å²	78	55.8 Å²	55.8	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-48.2	179.9	-56.7	0	0	0	0	111.4	E449 E450 W455 E456 K457	E449-T453 VanDerWaalsContact O-CB 3.28Å; E449-T453 WeakPolarHBondContact O-CB 3.32Å; E449-T453 PolarHBondContact O-N 3.45Å; E449-T453 PolarHBondContact O-OG1 3.03Å; E450-T453 PolarHBondContact O-N 2.88Å; T453-W455 VanDerWaalsContact C-N 3.33Å; T453-W455 PolarHBondContact O-N 3.3Å; T453-E456 PolarHBondContact O-N 3.33Å; T453-K457 WeakPolarHBondContact O-CB 3.29Å; T453-K457 PolarHBondContact O-N 2.97Å
454	E	91.6	Very high	90.4	Very high	55 Å²	55	55 Å²	55	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-68.8	-31.4	178.3	-70.5	-59.9	145.1	0	0	111.8	L361 E450 K457 L458	L361-E454 HydrophobicContact CB-CB 4.38Å; L361-E454 HydrophobicContact CD1-CB 4Å; E450-E454 WeakPolarHBondContact O-CB 3.43Å; E450-E454 PolarHBondContact O-N 3.44Å; E454-K457 IonicContact OE1-NZ 4Å; E454-K457 PolarHBondContact OE1-NZ 3.39Å; E454-K457 IonicContact OE2-NZ 3.7Å; E454-K457 PolarHBondContact OE2-NZ 2.95Å; E454-L458 WeakPolarHBondContact O-CB 3.43Å; E454-L458 PolarHBondContact O-N 3.1Å
455	W	95.3	Very high	91.1	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.049	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-46.5	171.5	175.2	-114.1	0	0	0	112.6	W360 L361 L395 E399 I402 V451 N452 T453 L458 N459	W360-W455 HydrophobicContact CH2-CZ3 4.34Å; W360-W455 HydrophobicContact CZ3-CZ3 4.03Å; L361-W455 HydrophobicContact CD1-CB 4.34Å; L361-W455 HydrophobicContact CD2-CB 4.11Å; L361-W455 HydrophobicContact CD2-CD2 4.47Å; L361-W455 HydrophobicContact CD2-CE3 3.61Å; L361-W455 HydrophobicContact CD2-CZ3 4.43Å; L395-W455 HydrophobicContact CB-CH2 4.07Å; L395-W455 HydrophobicContact CB-CZ3 4.39Å; L395-W455 HydrophobicContact CD2-CZ3 4.11Å; L395-W455 WeakPolarHBondContact O-CH2 3.37Å; E399-W455 HydrophobicContact CB-CH2 4.11Å; E399-W455 HydrophobicContact CB-CZ2 3.69Å; E399-W455 HydrophobicContact CG-CZ2 3.89Å; I402-W455 HydrophobicContact CD1-CD2 3.53Å; I402-W455 HydrophobicContact CD1-CE3 3.22Å; I402-W455 HydrophobicContact CD1-CG 4.2Å; I402-W455 HydrophobicContact CD1-CH2 3.99Å; I402-W455 HydrophobicContact CD1-CZ2 4.29Å; I402-W455 HydrophobicContact CD1-CZ3 3.45Å; I402-W455 VanDerWaalsContact CD1-CZ3 3.45Å; I402-W455 HydrophobicContact CG2-CB 4.45Å; I402-W455 HydrophobicContact CG2-CD2 4.39Å; I402-W455 HydrophobicContact CG2-CG 4.12Å; V451-W455 WeakPolarHBondContact O-CB 3.35Å; V451-W455 PolarHBondContact O-N 3.42Å; N452-W455 PolarHBondContact O-N 2.98Å; T453-W455 VanDerWaalsContact C-N 3.33Å; T453-W455 PolarHBondContact O-N 3.3Å; W455-L458 PolarHBondContact O-N 3.47Å; W455-N459 WeakPolarHBondContact CZ2-ND2 3.33Å; W455-N459 PolarHBondContact NE1-ND2 2.77Å; W455-N459 WeakPolarHBondContact O-CB 3.45Å; W455-N459 PolarHBondContact O-N 3.48Å; W455-N459 PolarHBondContact O-ND2 3.17Å
456	E	93	Very high	91.7	Very high	111 Å²	111	52.6 Å²	52.6	52%	0.519	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-44.4	175	-75.8	176.4	-173.2	0	0	111.1	N452 T453 N459 L460	N452-E456 PolarHBondContact ND2-OE1 3.05Å; N452-E456 WeakPolarHBondContact O-CB 3.46Å; N452-E456 WeakPolarHBondContact O-CG 3.34Å; N452-E456 PolarHBondContact O-N 2.81Å; T453-E456 PolarHBondContact O-N 3.33Å; E456-N459 PolarHBondContact O-N 3.42Å; E456-L460 WeakPolarHBondContact O-CB 3.46Å; E456-L460 PolarHBondContact O-N 3.49Å
457	K	92.3	Very high	92.1	Very high	98 Å²	98	53.5 Å²	53.5	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176.3	179.9	179.7	152.6	-140.7	0	112.1	T453 E454 N459 L460 H461	T453-K457 WeakPolarHBondContact O-CB 3.29Å; T453-K457 PolarHBondContact O-N 2.97Å; E454-K457 IonicContact OE1-NZ 4Å; E454-K457 PolarHBondContact OE1-NZ 3.39Å; E454-K457 IonicContact OE2-NZ 3.7Å; E454-K457 PolarHBondContact OE2-NZ 2.95Å; K457-N459 VanDerWaalsContact C-N 3.35Å; K457-L460 PolarHBondContact O-N 3.19Å; K457-H461 WeakPolarHBondContact O-CB 3.42Å; K457-H461 PolarHBondContact O-N 2.9Å
458	L	94.3	Very high	92.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-40.4	176.1	178.9	63.4	0	0	0	111.7	L361 K364 D365 L368 F391 L395 E454 W455 H461 S462	L361-L458 HydrophobicContact CD2-CD2 3.92Å; K364-L458 HydrophobicContact CB-CD2 3.81Å; D365-L458 HydrophobicContact CB-CD1 3.96Å; L368-L458 HydrophobicContact CD2-CD1 4.09Å; F391-L458 HydrophobicContact CZ-CD1 4.15Å; L395-L458 HydrophobicContact CD1-CG 4.49Å; L395-L458 HydrophobicContact CD2-CD2 3.78Å; L395-L458 HydrophobicContact CD2-CG 4.45Å; E454-L458 WeakPolarHBondContact O-CB 3.43Å; E454-L458 PolarHBondContact O-N 3.1Å; W455-L458 PolarHBondContact O-N 3.47Å; L458-H461 PolarHBondContact O-N 2.89Å; L458-S462 WeakPolarHBondContact O-CB 3.44Å; L458-S462 PolarHBondContact O-N 2.94Å
459	N	92.9	Very high	92.5	Very high	58 Å²	58	57.2 Å²	57.2	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-65	-41.2	175.1	-82.2	-48.9	0	0	0	112	W455 E456 K457 S462 A463	W455-N459 WeakPolarHBondContact CZ2-ND2 3.33Å; W455-N459 PolarHBondContact NE1-ND2 2.77Å; W455-N459 WeakPolarHBondContact O-CB 3.45Å; W455-N459 PolarHBondContact O-N 3.48Å; W455-N459 PolarHBondContact O-ND2 3.17Å; E456-N459 PolarHBondContact O-N 3.42Å; K457-N459 VanDerWaalsContact C-N 3.35Å; N459-S462 PolarHBondContact O-N 3.21Å; N459-A463 WeakPolarHBondContact O-CB 3.44Å; N459-A463 PolarHBondContact O-N 3.38Å
460	L	93.8	Very high	92.7	Very high	111 Å²	111	55.3 Å²	55.3	58%	0.581	27%	0.272	S	S	*	.	H	α-helix	trans	-64	-47.6	174.9	-173	67.7	0	0	0	110.9	E456 K457 S462 A463 D464	E456-L460 WeakPolarHBondContact O-CB 3.46Å; E456-L460 PolarHBondContact O-N 3.49Å; K457-L460 PolarHBondContact O-N 3.19Å; L460-S462 VanDerWaalsContact C-N 3.3Å; L460-S462 PolarHBondContact O-N 3.5Å; L460-A463 PolarHBondContact O-N 2.74Å; L460-A463 VanDerWaalsContact O-N 3.16Å; L460-D464 WeakPolarHBondContact O-CB 3.39Å; L460-D464 PolarHBondContact O-N 3.27Å
461	H	93.1	Very high	92.7	Very high	61 Å²	61	55.2 Å²	55.2	28%	0.282	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-42.8	176.2	-172.3	-169.1	0	0	0	111.2	D365 L368 K457 L458 D464 W465	D365-H461 IonicContact OD1-CE1 3.99Å; D365-H461 IonicContact OD1-CG 2.7Å; D365-H461 IonicContact OD1-ND1 2.88Å; D365-H461 PolarHBondContact OD1-ND1 3.11Å; L368-H461 HydrophobicContact CD2-CB 3.89Å; K457-H461 WeakPolarHBondContact O-CB 3.42Å; K457-H461 PolarHBondContact O-N 2.9Å; L458-H461 PolarHBondContact O-N 2.89Å; H461-D464 PolarHBondContact O-N 3.04Å; H461-W465 VanDerWaalsContact O-CB 3.3Å; H461-W465 WeakPolarHBondContact O-CB 3.29Å; H461-W465 PolarHBondContact O-N 3.26Å
462	S	93.9	Very high	92.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-40.5	175.9	178.8	0	0	0	0	112.4	H388 L458 N459 L460 Q466	H388-S462 PolarHBondContact CE1-OG 2.85Å; H388-S462 PolarHBondContact NE2-O 3.39Å; H388-S462 PolarHBondContact NE2-OG 3.22Å; L458-S462 WeakPolarHBondContact O-CB 3.44Å; L458-S462 PolarHBondContact O-N 2.94Å; N459-S462 PolarHBondContact O-N 3.21Å; L460-S462 VanDerWaalsContact C-N 3.3Å; L460-S462 PolarHBondContact O-N 3.5Å; S462-Q466 WeakPolarHBondContact O-CB 3.5Å; S462-Q466 PolarHBondContact O-N 3.45Å
463	A	93	Very high	92.6	Very high	46 Å²	46	53.8 Å²	53.8	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-66.5	-43.3	175.2	0	0	0	0	0	111.6	N459 L460 Q466 R467	N459-A463 WeakPolarHBondContact O-CB 3.44Å; N459-A463 PolarHBondContact O-N 3.38Å; L460-A463 PolarHBondContact O-N 2.74Å; L460-A463 VanDerWaalsContact O-N 3.16Å; A463-Q466 PolarHBondContact O-N 2.94Å; A463-R467 WeakPolarHBondContact O-CB 3.26Å; A463-R467 PolarHBondContact O-N 3.05Å
464	D	91.7	Very high	92.5	Very high	54 Å²	54	56 Å²	56	29%	0.289	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-41.6	175.9	-81.3	-27.3	0	0	0	112.1	L460 H461 R467 K468	L460-D464 WeakPolarHBondContact O-CB 3.39Å; L460-D464 PolarHBondContact O-N 3.27Å; H461-D464 PolarHBondContact O-N 3.04Å; D464-R467 PolarHBondContact O-N 3.34Å; D464-R467 IonicContact OD1-CZ 2.91Å; D464-R467 IonicContact OD1-NE 2.84Å; D464-R467 PolarHBondContact OD1-NE 3.19Å; D464-R467 IonicContact OD1-NH2 3.72Å; D464-R467 PolarHBondContact OD1-NH2 3.31Å; D464-K468 WeakPolarHBondContact O-CG 3.44Å; D464-K468 PolarHBondContact O-N 2.87Å
465	W	93.5	Very high	92.5	Very high	15 Å²	15	57 Å²	57	6%	0.057	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-43.8	175	-174.7	-118.4	0	0	0	111.7	L368 Q371 A372 I374 H388 H461 R467 K468 I469	L368-W465 HydrophobicContact CD1-CB 4.08Å; L368-W465 HydrophobicContact CD1-CG 3.9Å; Q371-W465 HydrophobicContact CB-CZ2 3.68Å; Q371-W465 WeakPolarHBondContact O-CZ2 3.4Å; A372-W465 HydrophobicContact CB-CH2 4.12Å; A372-W465 HydrophobicContact CB-CZ3 4.29Å; I374-W465 HydrophobicContact CD1-CH2 4.26Å; I374-W465 HydrophobicContact CD1-CZ3 4.06Å; I374-W465 HydrophobicContact CG1-CH2 3.37Å; I374-W465 HydrophobicContact CG1-CZ2 4.23Å; I374-W465 HydrophobicContact CG1-CZ3 3.63Å; H388-W465 AromaticContact CD2-CD1 3.69Å; H388-W465 AromaticContact CE1-CD1 3.67Å; H388-W465 AromaticContact CG-CD1 3.59Å; H388-W465 AromaticContact ND1-CD1 3.61Å; H388-W465 AromaticContact NE2-CD1 3.72Å; H461-W465 VanDerWaalsContact O-CB 3.3Å; H461-W465 WeakPolarHBondContact O-CB 3.29Å; H461-W465 PolarHBondContact O-N 3.26Å; W465-R467 PolarHBondContact O-N 3.27Å; W465-K468 HydrophobicContact CE3-CD 4.41Å; W465-K468 PolarHBondContact O-N 2.69Å; W465-I469 HydrophobicContact CD2-CD1 4.39Å; W465-I469 HydrophobicContact CG-CD1 4.37Å; W465-I469 HydrophobicContact CZ2-CD1 4.25Å; W465-I469 HydrophobicContact CZ2-CG1 4.43Å; W465-I469 WeakPolarHBondContact O-CG1 3.28Å; W465-I469 PolarHBondContact O-N 3.12Å
466	Q	93.9	Very high	92.3	Very high	20 Å²	20	56.7 Å²	56.7	9%	0.093	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-46.9	173.9	-175.8	69.5	60.9	0	0	111.2	N385 H388 S462 A463 K468 I469 D470	N385-Q466 PolarHBondContact ND2-NE2 3.11Å; H388-Q466 PolarHBondContact CD2-OE1 2.97Å; H388-Q466 VanDerWaalsContact CD2-OE1 3.24Å; S462-Q466 WeakPolarHBondContact O-CB 3.5Å; S462-Q466 PolarHBondContact O-N 3.45Å; A463-Q466 PolarHBondContact O-N 2.94Å; Q466-K468 VanDerWaalsContact C-N 3.34Å; Q466-K468 PolarHBondContact O-N 2.65Å; Q466-I469 PolarHBondContact O-N 2.79Å; Q466-D470 WeakPolarHBondContact CG-OD2 3.41Å; Q466-D470 PolarHBondContact NE2-OD1 2.97Å; Q466-D470 PolarHBondContact NE2-OD2 3.28Å; Q466-D470 WeakPolarHBondContact O-CB 3.38Å; Q466-D470 VanDerWaalsContact O-CG 3.23Å; Q466-D470 PolarHBondContact O-N 2.9Å
467	R	91.8	Very high	92.3	Very high	138 Å²	138	58 Å²	58	52%	0.521	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-44.3	178	178.9	174.7	57.3	97.4	-3.7	111.6	A463 D464 W465 D470 E471	A463-R467 WeakPolarHBondContact O-CB 3.26Å; A463-R467 PolarHBondContact O-N 3.05Å; D464-R467 PolarHBondContact O-N 3.34Å; D464-R467 IonicContact OD1-CZ 2.91Å; D464-R467 IonicContact OD1-NE 2.84Å; D464-R467 PolarHBondContact OD1-NE 3.19Å; D464-R467 IonicContact OD1-NH2 3.72Å; D464-R467 PolarHBondContact OD1-NH2 3.31Å; W465-R467 PolarHBondContact O-N 3.27Å; R467-D470 PolarHBondContact O-N 3.22Å; R467-E471 VanDerWaalsContact O-CB 3.3Å; R467-E471 WeakPolarHBondContact O-CB 3.17Å; R467-E471 PolarHBondContact O-N 3.09Å
468	K	90.7	Very high	92.3	Very high	104 Å²	104	56.6 Å²	56.6	45%	0.452	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-42.9	175.7	-74.3	177.5	179.9	177.4	0	112.3	I374 D464 W465 Q466 T472	I374-K468 HydrophobicContact CD1-CB 3.79Å; D464-K468 WeakPolarHBondContact O-CG 3.44Å; D464-K468 PolarHBondContact O-N 2.87Å; W465-K468 HydrophobicContact CE3-CD 4.41Å; W465-K468 PolarHBondContact O-N 2.69Å; Q466-K468 VanDerWaalsContact C-N 3.34Å; Q466-K468 PolarHBondContact O-N 2.65Å; K468-T472 VanDerWaalsContact O-CB 3.31Å; K468-T472 WeakPolarHBondContact O-CB 3.09Å; K468-T472 PolarHBondContact O-N 3.21Å; K468-T472 PolarHBondContact O-OG1 3.42Å
469	I	91.9	Very high	92.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-47.4	175.9	-72.1	176.5	0	0	0	110.3	V381 Q384 N385 H388 W465 Q466 T472 L473	V381-I469 HydrophobicContact CG1-CG2 3.96Å; Q384-I469 HydrophobicContact CB-CD1 4.26Å; N385-I469 HydrophobicContact CB-CG2 3.58Å; N385-I469 WeakPolarHBondContact ND2-CG2 3.22Å; H388-I469 HydrophobicContact CB-CD1 4.11Å; W465-I469 HydrophobicContact CD2-CD1 4.39Å; W465-I469 HydrophobicContact CG-CD1 4.37Å; W465-I469 HydrophobicContact CZ2-CD1 4.25Å; W465-I469 HydrophobicContact CZ2-CG1 4.43Å; W465-I469 WeakPolarHBondContact O-CG1 3.28Å; W465-I469 PolarHBondContact O-N 3.12Å; Q466-I469 PolarHBondContact O-N 2.79Å; I469-T472 PolarHBondContact O-N 3.37Å; I469-L473 HydrophobicContact CG2-CD1 3.99Å; I469-L473 HydrophobicContact CG2-CG 4.42Å; I469-L473 WeakPolarHBondContact O-CG 3.34Å; I469-L473 PolarHBondContact O-N 3Å
470	D	91.6	Very high	92.1	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-45.2	-177.4	-67	-21.9	0	0	0	111.2	N385 Q466 R467 T472 L473 E474	N385-D470 PolarHBondContact ND2-OD1 3.2Å; Q466-D470 WeakPolarHBondContact CG-OD2 3.41Å; Q466-D470 PolarHBondContact NE2-OD1 2.97Å; Q466-D470 PolarHBondContact NE2-OD2 3.28Å; Q466-D470 WeakPolarHBondContact O-CB 3.38Å; Q466-D470 VanDerWaalsContact O-CG 3.23Å; Q466-D470 PolarHBondContact O-N 2.9Å; R467-D470 PolarHBondContact O-N 3.22Å; D470-T472 VanDerWaalsContact C-N 3.31Å; D470-T472 PolarHBondContact O-N 2.85Å; D470-L473 PolarHBondContact O-N 2.92Å; D470-E474 PolarHBondContact O-N 3.42Å
471	E	90.8	Very high	92	Very high	71 Å²	71	58.8 Å²	58.8	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-42.8	173.3	-178.3	175.7	-167.8	0	0	111.1	R467 E474 R475	R467-E471 VanDerWaalsContact O-CB 3.3Å; R467-E471 WeakPolarHBondContact O-CB 3.17Å; R467-E471 PolarHBondContact O-N 3.09Å; E471-E474 PolarHBondContact O-N 2.96Å; E471-R475 WeakPolarHBondContact O-CB 3.47Å; E471-R475 VanDerWaalsContact O-CG 3.25Å; E471-R475 WeakPolarHBondContact O-CG 3.3Å; E471-R475 PolarHBondContact O-N 3.21Å
472	T	91.1	Very high	92	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-42.6	177.1	-57.1	0	0	0	0	112.1	I374 V381 K468 I469 D470 E474 R475 L476 L542 I547	I374-T472 HydrophobicContact CG2-CG2 3.75Å; V381-T472 HydrophobicContact CG1-CG2 4.04Å; V381-T472 HydrophobicContact CG2-CG2 3.92Å; K468-T472 VanDerWaalsContact O-CB 3.31Å; K468-T472 WeakPolarHBondContact O-CB 3.09Å; K468-T472 PolarHBondContact O-N 3.21Å; K468-T472 PolarHBondContact O-OG1 3.42Å; I469-T472 PolarHBondContact O-N 3.37Å; D470-T472 VanDerWaalsContact C-N 3.31Å; D470-T472 PolarHBondContact O-N 2.85Å; T472-E474 VanDerWaalsContact C-N 3.34Å; T472-R475 PolarHBondContact O-N 3.14Å; T472-L476 HydrophobicContact CG2-CD1 3.62Å; T472-L476 HydrophobicContact CG2-CG 4.11Å; T472-L476 WeakPolarHBondContact O-CB 3.37Å; T472-L476 WeakPolarHBondContact O-CG 3.48Å; T472-L476 PolarHBondContact O-N 3.26Å; T472-L542 HydrophobicContact CG2-CD2 4.4Å; T472-I547 HydrophobicContact CG2-CD1 3.5Å; T472-I547 VanDerWaalsContact CG2-CD1 3.5Å; T472-I547 HydrophobicContact CG2-CG2 4.48Å; T472-I547 WeakPolarHBondContact OG1-CD1 3.45Å
473	L	92.1	Very high	92	Very high	18 Å²	18	57 Å²	57	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-41.4	178.6	-78.3	172.3	0	0	0	111.9	F378 V381 Q382 N385 I469 D470 R477	F378-L473 HydrophobicContact CD2-CD2 3.93Å; F378-L473 HydrophobicContact CE2-CD2 3.81Å; F378-L473 HydrophobicContact CZ-CD2 4.31Å; V381-L473 HydrophobicContact CB-CD2 3.84Å; V381-L473 HydrophobicContact CB-CG 4.34Å; V381-L473 HydrophobicContact CG1-CD1 4.49Å; V381-L473 HydrophobicContact CG1-CD2 3.73Å; V381-L473 HydrophobicContact CG1-CG 3.66Å; Q382-L473 HydrophobicContact CB-CD2 4.26Å; N385-L473 HydrophobicContact CB-CD1 4.06Å; N385-L473 VanDerWaalsContact ND2-CD1 3.32Å; N385-L473 WeakPolarHBondContact ND2-CD1 3.19Å; I469-L473 HydrophobicContact CG2-CD1 3.99Å; I469-L473 HydrophobicContact CG2-CG 4.42Å; I469-L473 WeakPolarHBondContact O-CG 3.34Å; I469-L473 PolarHBondContact O-N 3Å; D470-L473 PolarHBondContact O-N 2.92Å; L473-R477 VanDerWaalsContact O-CB 3.32Å; L473-R477 WeakPolarHBondContact O-CB 3.29Å; L473-R477 PolarHBondContact O-N 3Å
474	E	90.9	Very high	91.9	Very high	126 Å²	126	59.3 Å²	59.3	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-62.2	-49.4	175.6	-172.5	165.9	-149.8	0	0	110.6	D470 E471 T472 L476 R477 E478	D470-E474 PolarHBondContact O-N 3.42Å; E471-E474 PolarHBondContact O-N 2.96Å; T472-E474 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.38Å; E474-R477 WeakPolarHBondContact O-CB 3.4Å; E474-R477 PolarHBondContact O-N 3.38Å; E474-E478 WeakPolarHBondContact O-CG 3.32Å; E474-E478 PolarHBondContact O-N 3.47Å
475	R	90.6	Very high	92	Very high	76 Å²	76	61.3 Å²	61.3	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-39.3	177.9	-67.3	-56.6	-171	175	4.3	114.1	E471 T472 R477 E478 L479 L542	E471-R475 WeakPolarHBondContact O-CB 3.47Å; E471-R475 VanDerWaalsContact O-CG 3.25Å; E471-R475 WeakPolarHBondContact O-CG 3.3Å; E471-R475 PolarHBondContact O-N 3.21Å; T472-R475 PolarHBondContact O-N 3.14Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R475-E478 WeakPolarHBondContact CD-OE2 3.48Å; R475-E478 IonicContact CZ-OE2 3.14Å; R475-E478 IonicContact NE-OE2 2.77Å; R475-E478 IonicContact NH1-OE2 3.43Å; R475-E478 PolarHBondContact NH1-OE2 2.96Å; R475-E478 PolarHBondContact O-N 2.92Å; R475-L479 WeakPolarHBondContact O-CB 3.45Å; R475-L479 PolarHBondContact O-N 2.96Å; R475-L542 HydrophobicContact CB-CD2 3.57Å; R475-L542 HydrophobicContact CB-CG 4.14Å
476	L	91.5	Very high	92	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-33.6	175.7	-76.3	170.8	0	0	0	111.6	F378 V381 T472 E474 Q480 L542 L549	F378-L476 HydrophobicContact CB-CB 4.42Å; F378-L476 HydrophobicContact CD2-CB 4.38Å; V381-L476 HydrophobicContact CB-CD1 4.27Å; V381-L476 HydrophobicContact CG2-CD1 3.71Å; T472-L476 HydrophobicContact CG2-CD1 3.62Å; T472-L476 HydrophobicContact CG2-CG 4.11Å; T472-L476 WeakPolarHBondContact O-CB 3.37Å; T472-L476 WeakPolarHBondContact O-CG 3.48Å; T472-L476 PolarHBondContact O-N 3.26Å; E474-L476 PolarHBondContact O-N 3.38Å; L476-Q480 WeakPolarHBondContact O-CB 3.4Å; L476-Q480 PolarHBondContact O-N 3.41Å; L476-L542 HydrophobicContact CD2-CD1 3.72Å; L476-L542 HydrophobicContact CD2-CD2 4.35Å; L476-L542 HydrophobicContact CG-CD1 4.29Å; L476-L542 HydrophobicContact CG-CD2 4.18Å; L476-L549 HydrophobicContact CD2-CD2 4.27Å
477	R	92.4	Very high	92	Very high	140 Å²	140	61.2 Å²	61.2	53%	0.528	28%	0.279	S	S	.	.	H	α-helix	trans	-67.8	-47.3	172.7	-177.5	-177.8	-68.9	-161.6	-1.5	111.3	F378 L473 E474 R475 L479 Q480 E481	F378-R477 HydrophobicContact CE2-CB 4.3Å; L473-R477 VanDerWaalsContact O-CB 3.32Å; L473-R477 WeakPolarHBondContact O-CB 3.29Å; L473-R477 PolarHBondContact O-N 3Å; E474-R477 WeakPolarHBondContact O-CB 3.4Å; E474-R477 PolarHBondContact O-N 3.38Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R477-L479 VanDerWaalsContact C-N 3.28Å; R477-L479 PolarHBondContact O-N 3.13Å; R477-Q480 PolarHBondContact O-N 3.42Å; R477-Q480 VanDerWaalsContact O-N 3.15Å; R477-E481 HydrophobicContact CG-CG 4.38Å; R477-E481 WeakPolarHBondContact CG-OE1 3.48Å; R477-E481 WeakPolarHBondContact O-CG 3.42Å; R477-E481 PolarHBondContact O-N 2.91Å
478	E	92.2	Very high	92.1	Very high	67 Å²	67	59.4 Å²	59.4	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-55.4	-45.7	173.9	-72.9	177.2	176.1	0	0	111	E474 R475 A482 L538	E474-E478 WeakPolarHBondContact O-CG 3.32Å; E474-E478 PolarHBondContact O-N 3.47Å; R475-E478 WeakPolarHBondContact CD-OE2 3.48Å; R475-E478 IonicContact CZ-OE2 3.14Å; R475-E478 IonicContact NE-OE2 2.77Å; R475-E478 IonicContact NH1-OE2 3.43Å; R475-E478 PolarHBondContact NH1-OE2 2.96Å; R475-E478 PolarHBondContact O-N 2.92Å; E478-A482 VanDerWaalsContact O-CB 3.26Å; E478-A482 WeakPolarHBondContact O-CB 3.25Å; E478-A482 PolarHBondContact O-N 2.87Å; E478-L538 HydrophobicContact CB-CD1 4.27Å; E478-L538 HydrophobicContact CB-CD2 4.26Å
479	L	92.3	Very high	92.1	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-47.5	176.4	179.5	64.9	0	0	0	111.2	R475 R477 A482 T483 V535 L538 A539 L542 L549 L557	R475-L479 WeakPolarHBondContact O-CB 3.45Å; R475-L479 PolarHBondContact O-N 2.96Å; R477-L479 VanDerWaalsContact C-N 3.28Å; R477-L479 PolarHBondContact O-N 3.13Å; L479-A482 PolarHBondContact O-N 2.77Å; L479-T483 HydrophobicContact CD1-CG2 4.27Å; L479-T483 WeakPolarHBondContact O-CG2 3.04Å; L479-T483 PolarHBondContact O-N 3.37Å; L479-T483 PolarHBondContact O-OG1 3.26Å; L479-V535 HydrophobicContact CD1-CG1 4.17Å; L479-V535 WeakPolarHBondContact CD1-O 3.29Å; L479-L538 HydrophobicContact CB-CB 4.44Å; L479-L538 HydrophobicContact CD1-CB 3.96Å; L479-A539 HydrophobicContact CD1-CB 4.27Å; L479-L542 HydrophobicContact CB-CD1 4.4Å; L479-L542 HydrophobicContact CD2-CD1 3.78Å; L479-L549 HydrophobicContact CD2-CD2 3.97Å; L479-L557 HydrophobicContact CD1-CD2 4.34Å
480	Q	91.6	Very high	92.1	Very high	93 Å²	93	57.5 Å²	57.5	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-48.9	-179.4	-174.5	172.4	-2.5	0	0	111.7	L476 R477 A482 T483 D484	L476-Q480 WeakPolarHBondContact O-CB 3.4Å; L476-Q480 PolarHBondContact O-N 3.41Å; R477-Q480 PolarHBondContact O-N 3.42Å; R477-Q480 VanDerWaalsContact O-N 3.15Å; Q480-A482 VanDerWaalsContact C-N 3.35Å; Q480-A482 PolarHBondContact O-N 3.38Å; Q480-T483 VanDerWaalsContact CA-OG1 3.29Å; Q480-T483 WeakPolarHBondContact CA-OG1 3.41Å; Q480-T483 PolarHBondContact O-N 2.83Å; Q480-T483 PolarHBondContact O-OG1 2.97Å; Q480-D484 WeakPolarHBondContact O-CB 3.43Å; Q480-D484 VanDerWaalsContact O-CG 3.31Å; Q480-D484 PolarHBondContact O-N 2.62Å
481	E	91.8	Very high	92.2	Very high	119 Å²	119	61 Å²	61	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-59.9	-44.2	177.4	-71.2	175.1	-171.3	0	0	111.4	R477 D484 E485	R477-E481 HydrophobicContact CG-CG 4.38Å; R477-E481 WeakPolarHBondContact CG-OE1 3.48Å; R477-E481 WeakPolarHBondContact O-CG 3.42Å; R477-E481 PolarHBondContact O-N 2.91Å; E481-D484 PolarHBondContact O-N 3.44Å; E481-E485 WeakPolarHBondContact O-CB 3.39Å; E481-E485 PolarHBondContact O-N 3.19Å
482	A	93	Very high	92.2	Very high	10 Å²	10	63 Å²	63	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-37.9	177.9	0	0	0	0	0	112.6	E478 L479 Q480 L486 V535 L538	E478-A482 VanDerWaalsContact O-CB 3.26Å; E478-A482 WeakPolarHBondContact O-CB 3.25Å; E478-A482 PolarHBondContact O-N 2.87Å; L479-A482 PolarHBondContact O-N 2.77Å; Q480-A482 VanDerWaalsContact C-N 3.35Å; Q480-A482 PolarHBondContact O-N 3.38Å; A482-L486 WeakPolarHBondContact O-CB 3.19Å; A482-L486 PolarHBondContact O-N 3.35Å; A482-V535 HydrophobicContact CB-CG2 3.62Å; A482-V535 WeakPolarHBondContact O-CG2 3.47Å; A482-L538 HydrophobicContact CB-CD1 3.88Å
483	T	93.3	Very high	92.2	Very high	15 Å²	15	63.2 Å²	63.2	9%	0.092	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-41.2	174.3	43.3	0	0	0	0	112.2	L479 Q480 L486 D487 V535 L557 L560	L479-T483 HydrophobicContact CD1-CG2 4.27Å; L479-T483 WeakPolarHBondContact O-CG2 3.04Å; L479-T483 PolarHBondContact O-N 3.37Å; L479-T483 PolarHBondContact O-OG1 3.26Å; Q480-T483 VanDerWaalsContact CA-OG1 3.29Å; Q480-T483 WeakPolarHBondContact CA-OG1 3.41Å; Q480-T483 PolarHBondContact O-N 2.83Å; Q480-T483 PolarHBondContact O-OG1 2.97Å; T483-L486 PolarHBondContact O-N 3.5Å; T483-D487 WeakPolarHBondContact O-CB 3.4Å; T483-D487 PolarHBondContact O-N 2.65Å; T483-V535 HydrophobicContact CG2-CG1 3.61Å; T483-L557 HydrophobicContact CG2-CD2 4.18Å; T483-L560 HydrophobicContact CG2-CD1 3.97Å
484	D	92	Very high	92.2	Very high	96 Å²	96	65 Å²	65	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-41.1	179.1	-72.6	-19.7	0	0	0	111.2	Q480 E481 D487 L488	Q480-D484 WeakPolarHBondContact O-CB 3.43Å; Q480-D484 VanDerWaalsContact O-CG 3.31Å; Q480-D484 PolarHBondContact O-N 2.62Å; E481-D484 PolarHBondContact O-N 3.44Å; D484-D487 PolarHBondContact O-N 3.07Å; D484-L488 WeakPolarHBondContact O-CB 3.38Å; D484-L488 PolarHBondContact O-N 3.11Å
485	E	92.7	Very high	92.3	Very high	96 Å²	96	64.2 Å²	64.2	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-44.3	174.6	-170.2	-170.5	164.2	0	0	111.6	E481 L488 K489	E481-E485 WeakPolarHBondContact O-CB 3.39Å; E481-E485 PolarHBondContact O-N 3.19Å; E485-L488 PolarHBondContact O-N 3.43Å; E485-K489 WeakPolarHBondContact O-CG 3.3Å; E485-K489 PolarHBondContact O-N 3.27Å; E485-K489 VanDerWaalsContact O-N 3.11Å; E485-K489 WeakPolarHBondContact OE1-CE 3.5Å; E485-K489 IonicContact OE1-NZ 3.07Å; E485-K489 PolarHBondContact OE1-NZ 3.18Å
486	L	93.7	Very high	92.2	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-44.2	177.7	176.5	60.2	0	0	0	111.7	A482 T483 L488 K489 L490 N531 V532 V535 L560	A482-L486 WeakPolarHBondContact O-CB 3.19Å; A482-L486 PolarHBondContact O-N 3.35Å; T483-L486 PolarHBondContact O-N 3.5Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L486-L488 PolarHBondContact O-N 3.28Å; L486-K489 PolarHBondContact O-N 3.45Å; L486-L490 HydrophobicContact CD1-CD1 3.97Å; L486-L490 HydrophobicContact CD1-CG 3.99Å; L486-L490 HydrophobicContact CG-CD1 3.93Å; L486-L490 HydrophobicContact CG-CG 4.39Å; L486-L490 WeakPolarHBondContact O-CB 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.26Å; L486-L490 PolarHBondContact O-N 3.42Å; L486-N531 HydrophobicContact CD1-CB 4.06Å; L486-V532 HydrophobicContact CD1-CG2 3.77Å; L486-V532 HydrophobicContact CD2-CB 4.42Å; L486-V532 HydrophobicContact CD2-CG2 3.7Å; L486-V532 HydrophobicContact CG-CG2 4.39Å; L486-V535 HydrophobicContact CB-CG2 4.41Å; L486-V535 HydrophobicContact CD2-CB 4.42Å; L486-V535 HydrophobicContact CD2-CG2 4.09Å; L486-L560 HydrophobicContact CD2-CB 4.14Å; L486-L560 HydrophobicContact CD2-CD1 4.28Å
487	D	94.4	Very high	92.1	Very high	30 Å²	30	67.3 Å²	67.3	16%	0.16	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-45.2	177	-174.1	42.4	0	0	0	111.2	T483 D484 K489 L490 R491 L560 R563	T483-D487 WeakPolarHBondContact O-CB 3.4Å; T483-D487 PolarHBondContact O-N 2.65Å; D484-D487 PolarHBondContact O-N 3.07Å; D487-K489 PolarHBondContact O-N 3.48Å; D487-L490 PolarHBondContact O-N 2.95Å; D487-R491 WeakPolarHBondContact O-CB 3.5Å; D487-R491 VanDerWaalsContact O-CG 3.3Å; D487-R491 WeakPolarHBondContact O-CG 3.33Å; D487-R491 PolarHBondContact O-N 3.34Å; D487-R491 IonicContact OD1-NE 3.07Å; D487-R491 PolarHBondContact OD1-NE 3.33Å; D487-R491 IonicContact OD1-NH2 2.73Å; D487-R491 IonicContact OD2-CZ 2.68Å; D487-R491 IonicContact OD2-NE 3.75Å; D487-R491 PolarHBondContact OD2-NE 3.14Å; D487-R491 IonicContact OD2-NH2 3.4Å; D487-R491 PolarHBondContact OD2-NH2 3.39Å; D487-L560 HydrophobicContact CB-CD2 3.71Å; D487-R563 IonicContact OD1-CZ 3.13Å; D487-R563 IonicContact OD1-NH1 2.81Å; D487-R563 PolarHBondContact OD1-NH1 3.48Å; D487-R563 IonicContact OD1-NH2 2.71Å; D487-R563 PolarHBondContact OD1-NH2 3.22Å; D487-R563 VanDerWaalsContact OD1-NH2 3.1Å
488	L	92.6	Very high	92	Very high	100 Å²	100	63.9 Å²	63.9	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-58.9	-48.3	178	179.5	63.5	0	0	0	111.7	D484 E485 L486 R491 Q492	D484-L488 WeakPolarHBondContact O-CB 3.38Å; D484-L488 PolarHBondContact O-N 3.11Å; E485-L488 PolarHBondContact O-N 3.43Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L486-L488 PolarHBondContact O-N 3.28Å; L488-R491 PolarHBondContact O-N 3.04Å; L488-Q492 WeakPolarHBondContact O-CG 3.32Å; L488-Q492 PolarHBondContact O-N 3.01Å; L488-Q492 VanDerWaalsContact O-N 3.1Å
489	K	91.2	Very high	91.8	Very high	65 Å²	65	64.9 Å²	64.9	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-66.7	-39	179.6	-68.9	-178.6	-172.9	171.9	0	112.2	E485 L486 D487 Q492 A493 L528 N531	E485-K489 WeakPolarHBondContact O-CG 3.3Å; E485-K489 PolarHBondContact O-N 3.27Å; E485-K489 VanDerWaalsContact O-N 3.11Å; E485-K489 WeakPolarHBondContact OE1-CE 3.5Å; E485-K489 IonicContact OE1-NZ 3.07Å; E485-K489 PolarHBondContact OE1-NZ 3.18Å; L486-K489 PolarHBondContact O-N 3.45Å; D487-K489 PolarHBondContact O-N 3.48Å; K489-Q492 PolarHBondContact O-N 2.87Å; K489-A493 PolarHBondContact O-N 3.4Å; K489-A493 VanDerWaalsContact O-N 3.15Å; K489-L528 HydrophobicContact CB-CD2 3.5Å; K489-L528 VanDerWaalsContact CB-CD2 3.5Å; K489-L528 HydrophobicContact CD-CD2 3.46Å; K489-L528 VanDerWaalsContact CD-CD2 3.46Å; K489-L528 HydrophobicContact CG-CD2 4.1Å; K489-N531 PolarHBondContact NZ-ND2 3.15Å; K489-N531 VanDerWaalsContact NZ-ND2 3.12Å
490	L	93.2	Very high	91.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-46.8	174.8	-78.2	173.5	0	0	0	111.2	L486 D487 Q492 A493 E494 L528 L560 R563 W564 L567	L486-L490 HydrophobicContact CD1-CD1 3.97Å; L486-L490 HydrophobicContact CD1-CG 3.99Å; L486-L490 HydrophobicContact CG-CD1 3.93Å; L486-L490 HydrophobicContact CG-CG 4.39Å; L486-L490 WeakPolarHBondContact O-CB 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.26Å; L486-L490 PolarHBondContact O-N 3.42Å; D487-L490 PolarHBondContact O-N 2.95Å; L490-Q492 VanDerWaalsContact C-N 3.31Å; L490-Q492 PolarHBondContact O-N 3.43Å; L490-A493 PolarHBondContact O-N 3.12Å; L490-E494 WeakPolarHBondContact O-CB 3.46Å; L490-E494 VanDerWaalsContact O-CG 3.23Å; L490-E494 WeakPolarHBondContact O-CG 3.37Å; L490-E494 PolarHBondContact O-N 3.06Å; L490-L528 HydrophobicContact CD2-CD1 4.24Å; L490-L560 HydrophobicContact CD1-CB 4.33Å; L490-L560 HydrophobicContact CD1-CD2 3.86Å; L490-R563 HydrophobicContact CD1-CB 4.42Å; L490-W564 HydrophobicContact CD1-CB 4.44Å; L490-W564 HydrophobicContact CD2-CB 4.01Å; L490-W564 HydrophobicContact CD2-CE3 4.08Å; L490-L567 HydrophobicContact CD2-CD2 3.99Å
491	R	92.1	Very high	91.6	Very high	144 Å²	144	68.4 Å²	68.4	54%	0.543	36%	0.356	S	S	.	.	H	α-helix	trans	-57.9	-42.5	176.7	-72.7	-179.8	-167.9	-148.3	7.8	112.2	D487 L488 A493 E494 V495	D487-R491 WeakPolarHBondContact O-CB 3.5Å; D487-R491 VanDerWaalsContact O-CG 3.3Å; D487-R491 WeakPolarHBondContact O-CG 3.33Å; D487-R491 PolarHBondContact O-N 3.34Å; D487-R491 IonicContact OD1-NE 3.07Å; D487-R491 PolarHBondContact OD1-NE 3.33Å; D487-R491 IonicContact OD1-NH2 2.73Å; D487-R491 IonicContact OD2-CZ 2.68Å; D487-R491 IonicContact OD2-NE 3.75Å; D487-R491 PolarHBondContact OD2-NE 3.14Å; D487-R491 IonicContact OD2-NH2 3.4Å; D487-R491 PolarHBondContact OD2-NH2 3.39Å; L488-R491 PolarHBondContact O-N 3.04Å; R491-A493 PolarHBondContact O-N 2.83Å; R491-E494 PolarHBondContact O-N 2.73Å; R491-V495 VanDerWaalsContact O-CG2 3.28Å; R491-V495 WeakPolarHBondContact O-CG2 3.28Å; R491-V495 PolarHBondContact O-N 3.36Å
492	Q	91.1	Very high	91.3	Very high	113 Å²	113	66.7 Å²	66.7	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-46	177.4	-72.4	171.3	-3.1	0	0	111.7	L488 K489 L490 V495 I496	L488-Q492 WeakPolarHBondContact O-CG 3.32Å; L488-Q492 PolarHBondContact O-N 3.01Å; L488-Q492 VanDerWaalsContact O-N 3.1Å; K489-Q492 PolarHBondContact O-N 2.87Å; L490-Q492 VanDerWaalsContact C-N 3.31Å; L490-Q492 PolarHBondContact O-N 3.43Å; Q492-V495 PolarHBondContact O-N 3.1Å; Q492-I496 PolarHBondContact O-N 2.97Å
493	A	90.9	Very high	90.8	Very high	7 Å²	7	67.6 Å²	67.6	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-70.3	-35.4	178.3	0	0	0	0	0	112.9	K489 L490 R491 V495 I496 K497 L521 I525 L567	K489-A493 PolarHBondContact O-N 3.4Å; K489-A493 VanDerWaalsContact O-N 3.15Å; L490-A493 PolarHBondContact O-N 3.12Å; R491-A493 PolarHBondContact O-N 2.83Å; A493-V495 VanDerWaalsContact C-N 3.34Å; A493-V495 PolarHBondContact O-N 3.17Å; A493-I496 PolarHBondContact O-N 3.25Å; A493-K497 PolarHBondContact O-N 3.12Å; A493-L521 HydrophobicContact CB-CD1 4.29Å; A493-I525 HydrophobicContact CB-CG2 3.79Å; A493-L567 HydrophobicContact CB-CD1 4.39Å; A493-L567 HydrophobicContact CB-CD2 3.52Å
494	E	92.3	Very high	90	Very high	56 Å²	56	70.6 Å²	70.6	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-64.1	-36.2	174.5	-74.4	168.9	156.3	0	0	112.2	L490 R491 K497 G498 R563	L490-E494 WeakPolarHBondContact O-CB 3.46Å; L490-E494 VanDerWaalsContact O-CG 3.23Å; L490-E494 WeakPolarHBondContact O-CG 3.37Å; L490-E494 PolarHBondContact O-N 3.06Å; R491-E494 PolarHBondContact O-N 2.73Å; E494-K497 PolarHBondContact O-N 2.77Å; E494-G498 PolarHBondContact O-N 3.32Å; E494-R563 WeakPolarHBondContact OE1-CB 3.41Å; E494-R563 IonicContact OE1-CZ 3.6Å; E494-R563 IonicContact OE1-NE 3.86Å; E494-R563 PolarHBondContact OE1-NE 2.88Å; E494-R563 IonicContact OE1-NH2 3.01Å; E494-R563 IonicContact OE2-CZ 3.8Å; E494-R563 IonicContact OE2-NE 3.73Å; E494-R563 PolarHBondContact OE2-NE 3.38Å; E494-R563 IonicContact OE2-NH2 2.88Å; E494-R563 PolarHBondContact OE2-NH2 2.81Å
495	V	92.6	Very high	89.5	Confident	109 Å²	109	71.5 Å²	71.5	66%	0.661	40%	0.398	S	S	*	.	H	α-helix	trans	-63.2	-43.2	173	168.4	0	0	0	0	111	R491 Q492 A493 G498 S499	R491-V495 VanDerWaalsContact O-CG2 3.28Å; R491-V495 WeakPolarHBondContact O-CG2 3.28Å; R491-V495 PolarHBondContact O-N 3.36Å; Q492-V495 PolarHBondContact O-N 3.1Å; A493-V495 VanDerWaalsContact C-N 3.34Å; A493-V495 PolarHBondContact O-N 3.17Å; V495-G498 PolarHBondContact O-N 2.92Å; V495-S499 PolarHBondContact O-N 2.98Å
496	I	89.6	Confident	89	Confident	67 Å²	67	67.8 Å²	67.8	34%	0.344	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-45.8	176.5	-61.6	168.2	0	0	0	110.1	Q492 A493 G498 S499 L521	Q492-I496 PolarHBondContact O-N 2.97Å; A493-I496 PolarHBondContact O-N 3.25Å; I496-G498 VanDerWaalsContact C-N 3.29Å; I496-G498 PolarHBondContact O-N 3.21Å; I496-S499 WeakPolarHBondContact O-CB 3.49Å; I496-S499 PolarHBondContact O-N 2.77Å; I496-S499 VanDerWaalsContact O-N 3.09Å; I496-S499 PolarHBondContact O-OG 3.41Å; I496-L521 HydrophobicContact CB-CD1 4.24Å; I496-L521 HydrophobicContact CB-CD2 4.26Å; I496-L521 HydrophobicContact CD1-CD1 3.72Å; I496-L521 HydrophobicContact CG2-CD1 4.17Å; I496-L521 HydrophobicContact CG2-CD2 3.84Å; I496-L521 HydrophobicContact CG2-CG 4.49Å
497	K	89.4	Confident	88.3	Confident	80 Å²	80	74 Å²	74	35%	0.348	41%	0.414	S	S	.	.	H	α-helix	trans	-56.6	-42.8	173.5	177.1	-167.9	164.7	-168.7	0	111.8	A493 E494 S499 W500 L567 A570	A493-K497 PolarHBondContact O-N 3.12Å; E494-K497 PolarHBondContact O-N 2.77Å; K497-S499 PolarHBondContact O-N 2.92Å; K497-W500 HydrophobicContact CB-CE3 4.5Å; K497-W500 HydrophobicContact CB-CH2 4.48Å; K497-W500 HydrophobicContact CB-CZ3 4.42Å; K497-W500 HydrophobicContact CG-CD2 4.47Å; K497-W500 HydrophobicContact CG-CE3 3.92Å; K497-W500 HydrophobicContact CG-CH2 4.33Å; K497-W500 HydrophobicContact CG-CZ3 3.84Å; K497-W500 WeakPolarHBondContact O-CB 3.14Å; K497-W500 PolarHBondContact O-N 3.5Å; K497-W500 VanDerWaalsContact O-N 3.14Å; K497-L567 HydrophobicContact CB-CD1 4.16Å; K497-L567 HydrophobicContact CD-CD1 4.02Å; K497-A570 HydrophobicContact CD-CB 3.9Å; K497-A570 VanDerWaalsContact CE-CB 3.49Å
498	G	89.4	Confident	87.4	Confident	68 Å²	68	77 Å²	77	70%	0.701	43%	0.429	S	S	*	.	H	α-helix	trans	-63.5	-20.1	178.6	0	0	0	0	0	114	E494 V495 I496 W500	E494-G498 PolarHBondContact O-N 3.32Å; V495-G498 PolarHBondContact O-N 2.92Å; I496-G498 VanDerWaalsContact C-N 3.29Å; I496-G498 PolarHBondContact O-N 3.21Å; G498-W500 VanDerWaalsContact C-N 3.33Å
499	S	89.6	Confident	86.6	Confident	87 Å²	87	80 Å²	80	61%	0.608	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.5	176.6	76.4	0	0	0	0	114.1	V495 I496 K497 Q501	V495-S499 PolarHBondContact O-N 2.98Å; I496-S499 WeakPolarHBondContact O-CB 3.49Å; I496-S499 PolarHBondContact O-N 2.77Å; I496-S499 VanDerWaalsContact O-N 3.09Å; I496-S499 PolarHBondContact O-OG 3.41Å; K497-S499 PolarHBondContact O-N 2.92Å; S499-Q501 PolarHBondContact O-N 2.87Å
500	W	91.1	Very high	86.1	Confident	62 Å²	62	78.3 Å²	78.3	24%	0.235	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-71.8	125.7	-177.1	-66.1	-11.9	0	0	0	112.5	K497 G498 V518 L521 V571 R574	K497-W500 HydrophobicContact CB-CE3 4.5Å; K497-W500 HydrophobicContact CB-CH2 4.48Å; K497-W500 HydrophobicContact CB-CZ3 4.42Å; K497-W500 HydrophobicContact CG-CD2 4.47Å; K497-W500 HydrophobicContact CG-CE3 3.92Å; K497-W500 HydrophobicContact CG-CH2 4.33Å; K497-W500 HydrophobicContact CG-CZ3 3.84Å; K497-W500 WeakPolarHBondContact O-CB 3.14Å; K497-W500 PolarHBondContact O-N 3.5Å; K497-W500 VanDerWaalsContact O-N 3.14Å; G498-W500 VanDerWaalsContact C-N 3.33Å; W500-V518 HydrophobicContact CH2-CG1 4.21Å; W500-V518 HydrophobicContact CZ2-CG1 3.97Å; W500-V518 HydrophobicContact CZ2-CG2 3.96Å; W500-L521 HydrophobicContact CH2-CD2 4.29Å; W500-L521 HydrophobicContact CZ2-CD2 3.58Å; W500-V571 HydrophobicContact CH2-CB 4.24Å; W500-V571 HydrophobicContact CH2-CG2 3.66Å; W500-V571 HydrophobicContact CZ2-CG2 4.36Å; W500-R574 HydrophobicContact CD2-CG 4.1Å; W500-R574 HydrophobicContact CE3-CB 3.96Å; W500-R574 HydrophobicContact CE3-CG 3.74Å; W500-R574 HydrophobicContact CH2-CB 3.88Å; W500-R574 HydrophobicContact CH2-CG 4.08Å; W500-R574 HydrophobicContact CZ2-CG 4.39Å; W500-R574 HydrophobicContact CZ3-CB 3.49Å; W500-R574 VanDerWaalsContact CZ3-CB 3.49Å; W500-R574 HydrophobicContact CZ3-CG 3.75Å
501	Q	86.6	Confident	85.6	Confident	111 Å²	111	78.6 Å²	78.6	52%	0.519	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-76.4	153.7	170.1	-64.2	176.6	-52.7	0	0	110.9	S499 L506 R574	S499-Q501 PolarHBondContact O-N 2.87Å; Q501-L506 HydrophobicContact CB-CD2 4.2Å; Q501-R574 PolarHBondContact O-NH1 3.29Å; Q501-R574 PolarHBondContact O-NH2 3.45Å
502	P	85.7	Confident	85.1	Confident	83 Å²	83	75.2 Å²	75.2	54%	0.539	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-53	144	169.3	-24.6	35	0	0	0	112	G504 D505	P502-G504 PolarHBondContact O-N 3.39Å; P502-D505 WeakPolarHBondContact CD-OD2 3.4Å; P502-D505 WeakPolarHBondContact CG-OD2 3.38Å; P502-D505 PolarHBondContact O-N 2.92Å; P502-D505 VanDerWaalsContact O-N 3.14Å
503	V	83.8	Confident	84.9	Confident	29 Å²	29	73.2 Å²	73.2	18%	0.176	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-61.8	-32.9	-176.5	177.2	0	0	0	0	112.2	D505 L506 L511 Q577 L578 A581	V503-D505 PolarHBondContact O-N 3.39Å; V503-L506 WeakPolarHBondContact O-CB 3.46Å; V503-L506 PolarHBondContact O-N 3.48Å; V503-L511 HydrophobicContact CG1-CD2 4.46Å; V503-Q577 HydrophobicContact CG2-CB 3.85Å; V503-L578 HydrophobicContact CG1-CD2 4.23Å; V503-L578 HydrophobicContact CG2-CD2 4.1Å; V503-L578 HydrophobicContact CG2-CG 4.44Å; V503-A581 HydrophobicContact CG1-CB 3.63Å
504	G	75.3	Confident	84.7	Confident	78 Å²	78	75 Å²	75	80%	0.804	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-66.6	-19.1	178.2	0	0	0	0	0	114.9	P502	P502-G504 PolarHBondContact O-N 3.39Å
505	D	82	Confident	84.5	Confident	114 Å²	114	72.5 Å²	72.5	61%	0.61	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-92.8	-1.4	-179.6	-59.7	-29.3	0	0	0	112.4	P502 V503	P502-D505 WeakPolarHBondContact CD-OD2 3.4Å; P502-D505 WeakPolarHBondContact CG-OD2 3.38Å; P502-D505 PolarHBondContact O-N 2.92Å; P502-D505 VanDerWaalsContact O-N 3.14Å; V503-D505 PolarHBondContact O-N 3.39Å
506	L	82.4	Confident	84.3	Confident	18 Å²	18	72.4 Å²	72.4	9%	0.094	42%	0.415	C	S	.	.	S	Bend	trans	-81.9	142.4	-180	-59.9	-178.7	0	0	0	111.1	Q501 V503 L511 H514 L578	Q501-L506 HydrophobicContact CB-CD2 4.2Å; V503-L506 WeakPolarHBondContact O-CB 3.46Å; V503-L506 PolarHBondContact O-N 3.48Å; L506-L511 HydrophobicContact CB-CD2 4.01Å; L506-L511 HydrophobicContact CD1-CD2 3.92Å; L506-H514 HydrophobicContact CD1-CB 4.26Å; L506-L578 HydrophobicContact CD1-CD2 3.42Å; L506-L578 VanDerWaalsContact CD1-CD2 3.42Å
507	L	79.2	Confident	84.2	Confident	134 Å²	134	74.9 Å²	74.9	70%	0.702	42%	0.423	S	S	*	.			trans	-68.4	136.7	170.1	-62.2	174.5	0	0	0	109.5	D509 S510 L511	L507-D509 PolarHBondContact O-N 3.41Å; L507-S510 PolarHBondContact O-N 2.9Å; L507-S510 PolarHBondContact O-OG 3.34Å; L507-L511 PolarHBondContact O-N 3.1Å
508	I	76.3	Confident	84.3	Confident	92 Å²	92	71.3 Å²	71.3	47%	0.472	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-55.8	-41.5	-178.7	-63.6	172.6	0	0	0	110.8	S510 L511 F585	I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 2.89Å; I508-L511 HydrophobicContact CG2-CD1 4.47Å; I508-L511 WeakPolarHBondContact O-CB 3.23Å; I508-L511 PolarHBondContact O-N 3.46Å; I508-F585 HydrophobicContact CD1-CB 4.26Å; I508-F585 HydrophobicContact CG1-CB 4.36Å; I508-F585 HydrophobicContact CG2-CB 4.41Å; I508-F585 WeakPolarHBondContact CG2-O 3.44Å
509	D	74.8	Confident	84.3	Confident	163 Å²	163	72.5 Å²	72.5	87%	0.872	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.2	179	-61	-25.7	0	0	0	113.4	L507	L507-D509 PolarHBondContact O-N 3.41Å
510	S	80.2	Confident	84.2	Confident	29 Å²	29	71 Å²	71	20%	0.203	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-95.6	-6.7	179.1	74.4	0	0	0	0	113.9	L507 I508 Q512 D513 H514	L507-S510 PolarHBondContact O-N 2.9Å; L507-S510 PolarHBondContact O-OG 3.34Å; I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 2.89Å; S510-Q512 PolarHBondContact O-N 3.46Å; S510-D513 PolarHBondContact O-N 3.35Å; S510-H514 PolarHBondContact O-CD2 3.02Å; S510-H514 PolarHBondContact O-N 3.11Å; S510-H514 PolarHBondContact OG-CD2 3.15Å
511	L	83.1	Confident	84.1	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-54.4	-37.9	-179.8	-75.4	171.5	0	0	0	112.5	V503 L506 L507 I508 L515 L578 A581	V503-L511 HydrophobicContact CG1-CD2 4.46Å; L506-L511 HydrophobicContact CB-CD2 4.01Å; L506-L511 HydrophobicContact CD1-CD2 3.92Å; L507-L511 PolarHBondContact O-N 3.1Å; I508-L511 HydrophobicContact CG2-CD1 4.47Å; I508-L511 WeakPolarHBondContact O-CB 3.23Å; I508-L511 PolarHBondContact O-N 3.46Å; L511-L515 WeakPolarHBondContact O-CB 3.23Å; L511-L515 PolarHBondContact O-N 3.38Å; L511-L578 HydrophobicContact CD2-CD2 3.97Å; L511-A581 HydrophobicContact CD1-CB 4.14Å; L511-A581 HydrophobicContact CD2-CB 4.08Å
512	Q	82.4	Confident	84.3	Confident	72 Å²	72	69.6 Å²	69.6	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-43	177.7	-178.4	60.7	28.5	0	0	112.3	S510 L515 E516	S510-Q512 PolarHBondContact O-N 3.46Å; Q512-L515 WeakPolarHBondContact O-CB 3.45Å; Q512-L515 PolarHBondContact O-N 3.39Å; Q512-E516 PolarHBondContact NE2-OE1 3.38Å; Q512-E516 WeakPolarHBondContact O-CG 3.38Å; Q512-E516 PolarHBondContact O-N 3.47Å
513	D	85.3	Confident	84.4	Confident	71 Å²	71	67.9 Å²	67.9	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-41.8	177.9	177	55.5	0	0	0	111.4	S510 L515 E516 K517	S510-D513 PolarHBondContact O-N 3.35Å; D513-L515 VanDerWaalsContact C-N 3.31Å; D513-L515 PolarHBondContact O-N 2.92Å; D513-E516 PolarHBondContact O-N 3.28Å; D513-K517 WeakPolarHBondContact O-CG 3.46Å; D513-K517 PolarHBondContact O-N 2.96Å; D513-K517 IonicContact OD1-NZ 3.74Å; D513-K517 VanDerWaalsContact OD2-CE 3.29Å; D513-K517 WeakPolarHBondContact OD2-CE 3.29Å; D513-K517 IonicContact OD2-NZ 3.63Å; D513-K517 PolarHBondContact OD2-NZ 2.9Å
514	H	87.6	Confident	84.5	Confident	45 Å²	45	72.4 Å²	72.4	21%	0.208	39%	0.393	C	S	.	.	H	α-helix	trans	-62.8	-38.3	172.8	-74.4	-73.2	0	0	0	112.2	L506 S510 K517 V518 L578	L506-H514 HydrophobicContact CD1-CB 4.26Å; S510-H514 PolarHBondContact O-CD2 3.02Å; S510-H514 PolarHBondContact O-N 3.11Å; S510-H514 PolarHBondContact OG-CD2 3.15Å; H514-K517 PolarHBondContact O-N 3.45Å; H514-V518 VanDerWaalsContact O-CG2 3.3Å; H514-V518 WeakPolarHBondContact O-CG2 3.49Å; H514-V518 PolarHBondContact O-N 3.47Å; H514-L578 HydrophobicContact CB-CD1 4.13Å; H514-L578 HydrophobicContact CB-CD2 4.24Å
515	L	88.1	Confident	85.3	Confident	3 Å²	3	69 Å²	69	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-64.7	-40.4	176.9	-173.8	69.7	0	0	0	111.8	L511 Q512 D513 K519 V575 L578 H579	L511-L515 WeakPolarHBondContact O-CB 3.23Å; L511-L515 PolarHBondContact O-N 3.38Å; Q512-L515 WeakPolarHBondContact O-CB 3.45Å; Q512-L515 PolarHBondContact O-N 3.39Å; D513-L515 VanDerWaalsContact C-N 3.31Å; D513-L515 PolarHBondContact O-N 2.92Å; L515-K519 HydrophobicContact CG-CD 4.42Å; L515-K519 WeakPolarHBondContact O-CB 3.38Å; L515-K519 VanDerWaalsContact O-CG 3.29Å; L515-K519 WeakPolarHBondContact O-CG 3.4Å; L515-K519 PolarHBondContact O-N 2.85Å; L515-V575 HydrophobicContact CD1-CG1 4.31Å; L515-L578 HydrophobicContact CB-CB 4.47Å; L515-L578 HydrophobicContact CD1-CB 3.71Å; L515-H579 WeakPolarHBondContact CD1-ND1 3.28Å
516	E	87.8	Confident	85.5	Confident	108 Å²	108	66.2 Å²	66.2	51%	0.505	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-43.8	175.6	-74.2	175.5	-164.4	0	0	112.1	Q512 D513 V518 K519 A520	Q512-E516 PolarHBondContact NE2-OE1 3.38Å; Q512-E516 WeakPolarHBondContact O-CG 3.38Å; Q512-E516 PolarHBondContact O-N 3.47Å; D513-E516 PolarHBondContact O-N 3.28Å; E516-V518 PolarHBondContact O-N 2.65Å; E516-K519 WeakPolarHBondContact O-CB 3.45Å; E516-K519 PolarHBondContact O-N 2.75Å; E516-A520 PolarHBondContact O-N 3.16Å
517	K	88.9	Confident	85.8	Confident	118 Å²	118	68.9 Å²	68.9	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-43.5	175.7	-74.2	168.4	177.8	165.2	0	112.8	D513 H514 A520 L521	D513-K517 WeakPolarHBondContact O-CG 3.46Å; D513-K517 PolarHBondContact O-N 2.96Å; D513-K517 IonicContact OD1-NZ 3.74Å; D513-K517 VanDerWaalsContact OD2-CE 3.29Å; D513-K517 WeakPolarHBondContact OD2-CE 3.29Å; D513-K517 IonicContact OD2-NZ 3.63Å; D513-K517 PolarHBondContact OD2-NZ 2.9Å; H514-K517 PolarHBondContact O-N 3.45Å; K517-A520 WeakPolarHBondContact O-CB 3.31Å; K517-A520 PolarHBondContact O-N 3.01Å; K517-L521 PolarHBondContact O-N 2.69Å
518	V	90.8	Very high	86.3	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-71.4	-33.7	178.3	-179.9	0	0	0	0	111.1	W500 H514 E516 L521 R522 V571 R574 V575 L578	W500-V518 HydrophobicContact CH2-CG1 4.21Å; W500-V518 HydrophobicContact CZ2-CG1 3.97Å; W500-V518 HydrophobicContact CZ2-CG2 3.96Å; H514-V518 VanDerWaalsContact O-CG2 3.3Å; H514-V518 WeakPolarHBondContact O-CG2 3.49Å; H514-V518 PolarHBondContact O-N 3.47Å; E516-V518 PolarHBondContact O-N 2.65Å; V518-L521 PolarHBondContact O-N 2.83Å; V518-R522 WeakPolarHBondContact O-CB 3.34Å; V518-R522 PolarHBondContact O-N 3.36Å; V518-V571 HydrophobicContact CG1-CG1 4.15Å; V518-R574 HydrophobicContact CG1-CB 4.17Å; V518-R574 HydrophobicContact CG1-CG 4Å; V518-R574 HydrophobicContact CG2-CG 3.87Å; V518-V575 HydrophobicContact CB-CG2 4.37Å; V518-V575 HydrophobicContact CG1-CG2 3.55Å; V518-L578 HydrophobicContact CB-CD1 4.44Å; V518-L578 HydrophobicContact CG2-CD1 3.93Å
519	K	88.8	Confident	86.9	Confident	93 Å²	93	65.3 Å²	65.3	40%	0.404	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-38	171	-77.9	173.6	-179.7	172.9	0	112.2	L515 E516 R522 G523	L515-K519 HydrophobicContact CG-CD 4.42Å; L515-K519 WeakPolarHBondContact O-CB 3.38Å; L515-K519 VanDerWaalsContact O-CG 3.29Å; L515-K519 WeakPolarHBondContact O-CG 3.4Å; L515-K519 PolarHBondContact O-N 2.85Å; E516-K519 WeakPolarHBondContact O-CB 3.45Å; E516-K519 PolarHBondContact O-N 2.75Å; K519-R522 WeakPolarHBondContact O-CB 3.43Å; K519-R522 PolarHBondContact O-N 3.45Å; K519-G523 PolarHBondContact O-N 3.12Å
520	A	88.6	Confident	87.6	Confident	55 Å²	55	64.7 Å²	64.7	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-48.3	173.8	0	0	0	0	0	111	E516 K517 R522 G523 E524	E516-A520 PolarHBondContact O-N 3.16Å; K517-A520 WeakPolarHBondContact O-CB 3.31Å; K517-A520 PolarHBondContact O-N 3.01Å; A520-R522 VanDerWaalsContact C-N 3.29Å; A520-R522 PolarHBondContact O-N 3.43Å; A520-G523 WeakPolarHBondContact O-CA 3.48Å; A520-G523 PolarHBondContact O-N 2.84Å; A520-E524 PolarHBondContact O-N 2.91Å
521	L	89.6	Confident	88.1	Confident	5 Å²	5	65 Å²	65	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-41.4	173.6	-175.3	66.9	0	0	0	111.5	A493 I496 W500 K517 V518 G523 E524 I525 V571	A493-L521 HydrophobicContact CB-CD1 4.29Å; I496-L521 HydrophobicContact CB-CD1 4.24Å; I496-L521 HydrophobicContact CB-CD2 4.26Å; I496-L521 HydrophobicContact CD1-CD1 3.72Å; I496-L521 HydrophobicContact CG2-CD1 4.17Å; I496-L521 HydrophobicContact CG2-CD2 3.84Å; I496-L521 HydrophobicContact CG2-CG 4.49Å; W500-L521 HydrophobicContact CH2-CD2 4.29Å; W500-L521 HydrophobicContact CZ2-CD2 3.58Å; K517-L521 PolarHBondContact O-N 2.69Å; V518-L521 PolarHBondContact O-N 2.83Å; L521-G523 PolarHBondContact O-N 3.32Å; L521-E524 PolarHBondContact O-N 3.31Å; L521-E524 VanDerWaalsContact O-N 3.11Å; L521-I525 HydrophobicContact CD1-CG2 3.94Å; L521-I525 HydrophobicContact CG-CG2 4.05Å; L521-I525 WeakPolarHBondContact O-CG1 3.38Å; L521-I525 VanDerWaalsContact O-CG2 3.31Å; L521-I525 WeakPolarHBondContact O-CG2 3.48Å; L521-I525 PolarHBondContact O-N 3.25Å; L521-V571 HydrophobicContact CD2-CG2 4.15Å
522	R	89.7	Confident	88.5	Confident	139 Å²	139	65.1 Å²	65.1	53%	0.525	34%	0.336	S	S	.	.	H	α-helix	trans	-57.5	-36.6	174.5	-171.4	179.2	179.6	-120.2	2.7	112.2	V518 K519 A520 I525 A526 V571	V518-R522 WeakPolarHBondContact O-CB 3.34Å; V518-R522 PolarHBondContact O-N 3.36Å; K519-R522 WeakPolarHBondContact O-CB 3.43Å; K519-R522 PolarHBondContact O-N 3.45Å; A520-R522 VanDerWaalsContact C-N 3.29Å; A520-R522 PolarHBondContact O-N 3.43Å; R522-I525 WeakPolarHBondContact O-CG1 3.24Å; R522-A526 PolarHBondContact O-N 3.41Å; R522-V571 HydrophobicContact CB-CG1 3.78Å; R522-V571 HydrophobicContact CG-CG1 4.16Å
523	G	87.7	Confident	88.9	Confident	47 Å²	47	64.4 Å²	64.4	49%	0.485	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-43.3	173.2	0	0	0	0	0	113	K519 A520 L521 A526 P527	K519-G523 PolarHBondContact O-N 3.12Å; A520-G523 WeakPolarHBondContact O-CA 3.48Å; A520-G523 PolarHBondContact O-N 2.84Å; L521-G523 PolarHBondContact O-N 3.32Å; G523-A526 WeakPolarHBondContact O-CB 3.34Å; G523-A526 PolarHBondContact O-N 3.34Å; G523-P527 VanDerWaalsContact O-CD 3.26Å; G523-P527 WeakPolarHBondContact O-CD 3.3Å
524	E	87.3	Confident	89.2	Confident	124 Å²	124	65.8 Å²	65.8	58%	0.579	34%	0.343	S	S	*	.	H	α-helix	trans	-66.6	-36.7	179.1	-70.3	178.3	-177.2	0	0	113.1	A520 L521 P527	A520-E524 PolarHBondContact O-N 2.91Å; L521-E524 PolarHBondContact O-N 3.31Å; L521-E524 VanDerWaalsContact O-N 3.11Å; E524-P527 VanDerWaalsContact O-CD 3.3Å; E524-P527 WeakPolarHBondContact O-CD 3.44Å; E524-P527 VanDerWaalsContact O-CG 3.31Å; E524-P527 WeakPolarHBondContact O-CG 3.24Å
525	I	90.3	Very high	89.5	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-80.7	-23.1	-179.8	74	-178.1	0	0	0	112.2	A493 L521 R522 L528 W564 L567 V571	A493-I525 HydrophobicContact CB-CG2 3.79Å; L521-I525 HydrophobicContact CD1-CG2 3.94Å; L521-I525 HydrophobicContact CG-CG2 4.05Å; L521-I525 WeakPolarHBondContact O-CG1 3.38Å; L521-I525 VanDerWaalsContact O-CG2 3.31Å; L521-I525 WeakPolarHBondContact O-CG2 3.48Å; L521-I525 PolarHBondContact O-N 3.25Å; R522-I525 WeakPolarHBondContact O-CG1 3.24Å; I525-L528 HydrophobicContact CB-CD1 4.12Å; I525-L528 HydrophobicContact CG2-CD1 4.28Å; I525-L528 WeakPolarHBondContact O-CB 3.31Å; I525-L528 WeakPolarHBondContact O-CG 3.3Å; I525-L528 PolarHBondContact O-N 2.98Å; I525-W564 HydrophobicContact CB-CH2 4.37Å; I525-W564 HydrophobicContact CB-CZ3 3.92Å; I525-W564 HydrophobicContact CG1-CH2 4.36Å; I525-W564 HydrophobicContact CG1-CZ3 4.3Å; I525-W564 WeakPolarHBondContact O-CH2 3.46Å; I525-W564 WeakPolarHBondContact O-CZ3 3.31Å; I525-L567 HydrophobicContact CG2-CD2 4.15Å; I525-V571 HydrophobicContact CD1-CB 3.89Å; I525-V571 HydrophobicContact CD1-CG1 3.89Å; I525-V571 HydrophobicContact CD1-CG2 3.63Å
526	A	86.4	Confident	89.7	Confident	56 Å²	56	65.7 Å²	65.7	46%	0.463	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-46.7	-179.8	0	0	0	0	0	114.6	R522 G523 L528 K529	R522-A526 PolarHBondContact O-N 3.41Å; G523-A526 WeakPolarHBondContact O-CB 3.34Å; G523-A526 PolarHBondContact O-N 3.34Å; A526-L528 PolarHBondContact O-N 2.78Å; A526-K529 WeakPolarHBondContact O-CB 3.5Å; A526-K529 PolarHBondContact O-N 2.88Å
527	P	88.4	Confident	89.9	Confident	73 Å²	73	62.7 Å²	62.7	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.4	176.2	24.8	-35.1	0	0	0	114	G523 E524 K529 E530 N531	G523-P527 VanDerWaalsContact O-CD 3.26Å; G523-P527 WeakPolarHBondContact O-CD 3.3Å; E524-P527 VanDerWaalsContact O-CD 3.3Å; E524-P527 WeakPolarHBondContact O-CD 3.44Å; E524-P527 VanDerWaalsContact O-CG 3.31Å; E524-P527 WeakPolarHBondContact O-CG 3.24Å; P527-K529 PolarHBondContact O-N 3.41Å; P527-E530 PolarHBondContact O-N 2.84Å; P527-N531 PolarHBondContact O-N 3.45Å
528	L	89.8	Confident	90	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-23.4	176	-56.2	179.2	0	0	0	112.4	K489 L490 I525 A526 E530 N531 V532 W564	K489-L528 HydrophobicContact CB-CD2 3.5Å; K489-L528 VanDerWaalsContact CB-CD2 3.5Å; K489-L528 HydrophobicContact CD-CD2 3.46Å; K489-L528 VanDerWaalsContact CD-CD2 3.46Å; K489-L528 HydrophobicContact CG-CD2 4.1Å; L490-L528 HydrophobicContact CD2-CD1 4.24Å; I525-L528 HydrophobicContact CB-CD1 4.12Å; I525-L528 HydrophobicContact CG2-CD1 4.28Å; I525-L528 WeakPolarHBondContact O-CB 3.31Å; I525-L528 WeakPolarHBondContact O-CG 3.3Å; I525-L528 PolarHBondContact O-N 2.98Å; A526-L528 PolarHBondContact O-N 2.78Å; L528-E530 VanDerWaalsContact C-N 3.25Å; L528-E530 PolarHBondContact O-N 3.32Å; L528-N531 PolarHBondContact O-N 3.3Å; L528-V532 VanDerWaalsContact O-CG2 3.25Å; L528-V532 WeakPolarHBondContact O-CG2 2.97Å; L528-V532 PolarHBondContact O-N 3.31Å; L528-W564 HydrophobicContact CB-CE3 3.82Å; L528-W564 HydrophobicContact CB-CH2 4.14Å; L528-W564 HydrophobicContact CB-CZ3 3.56Å; L528-W564 HydrophobicContact CD1-CE3 4.23Å; L528-W564 HydrophobicContact CD1-CZ3 3.99Å; L528-W564 HydrophobicContact CG-CZ3 4.27Å
529	K	88.6	Confident	90	Very high	144 Å²	144	57.4 Å²	57.4	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-57.9	-39.9	171.5	-173.8	-177.3	175.8	-174.3	0	111.7	A526 P527 V532 S533 W564	A526-K529 WeakPolarHBondContact O-CB 3.5Å; A526-K529 PolarHBondContact O-N 2.88Å; P527-K529 PolarHBondContact O-N 3.41Å; K529-V532 PolarHBondContact O-N 3.08Å; K529-S533 PolarHBondContact O-N 3.18Å; K529-W564 HydrophobicContact CB-CZ2 3.82Å
530	E	89.9	Confident	90	Very high	150 Å²	150	59.4 Å²	59.4	70%	0.701	31%	0.314	S	S	*	.	H	α-helix	trans	-71	-40	177.5	-61.8	-141.8	156.3	0	0	111	P527 L528 V532 S533 H534	P527-E530 PolarHBondContact O-N 2.84Å; L528-E530 VanDerWaalsContact C-N 3.25Å; L528-E530 PolarHBondContact O-N 3.32Å; E530-V532 VanDerWaalsContact C-N 3.34Å; E530-V532 PolarHBondContact O-N 2.94Å; E530-S533 WeakPolarHBondContact O-CB 3.14Å; E530-S533 PolarHBondContact O-N 2.97Å; E530-H534 VanDerWaalsContact O-CB 3.31Å; E530-H534 WeakPolarHBondContact O-CB 3.28Å; E530-H534 PolarHBondContact O-N 2.97Å
531	N	90.6	Very high	90	Very high	34 Å²	34	60.1 Å²	60.1	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-43.2	173.2	-72.4	43.8	0	0	0	111.8	L486 K489 P527 L528 H534 V535	L486-N531 HydrophobicContact CD1-CB 4.06Å; K489-N531 PolarHBondContact NZ-ND2 3.15Å; K489-N531 VanDerWaalsContact NZ-ND2 3.12Å; P527-N531 PolarHBondContact O-N 3.45Å; L528-N531 PolarHBondContact O-N 3.3Å; N531-H534 PolarHBondContact O-N 3.38Å; N531-V535 WeakPolarHBondContact O-CB 3.42Å; N531-V535 VanDerWaalsContact O-CG2 3.24Å; N531-V535 WeakPolarHBondContact O-CG2 3.44Å; N531-V535 PolarHBondContact O-N 2.89Å
532	V	92.1	Very high	90	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-42.9	175.3	172.2	0	0	0	0	111.2	L486 L528 K529 E530 N536 N561 W564	L486-V532 HydrophobicContact CD1-CG2 3.77Å; L486-V532 HydrophobicContact CD2-CB 4.42Å; L486-V532 HydrophobicContact CD2-CG2 3.7Å; L486-V532 HydrophobicContact CG-CG2 4.39Å; L528-V532 VanDerWaalsContact O-CG2 3.25Å; L528-V532 WeakPolarHBondContact O-CG2 2.97Å; L528-V532 PolarHBondContact O-N 3.31Å; K529-V532 PolarHBondContact O-N 3.08Å; E530-V532 VanDerWaalsContact C-N 3.34Å; E530-V532 PolarHBondContact O-N 2.94Å; V532-N536 WeakPolarHBondContact CG1-ND2 3.11Å; V532-N536 WeakPolarHBondContact O-CB 3.35Å; V532-N536 VanDerWaalsContact O-CG 3.3Å; V532-N536 PolarHBondContact O-N 2.89Å; V532-N536 PolarHBondContact O-ND2 3.31Å; V532-N561 WeakPolarHBondContact CG1-OD1 3.33Å; V532-W564 HydrophobicContact CG2-CB 3.93Å; V532-W564 HydrophobicContact CG2-CD2 4.23Å; V532-W564 HydrophobicContact CG2-CG 3.69Å
533	S	90.9	Very high	89.8	Confident	57 Å²	57	57.2 Å²	57.2	40%	0.399	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-48.4	174	-167.5	0	0	0	0	110.6	K529 E530 V535 N536 D537	K529-S533 PolarHBondContact O-N 3.18Å; E530-S533 WeakPolarHBondContact O-CB 3.14Å; E530-S533 PolarHBondContact O-N 2.97Å; S533-V535 PolarHBondContact O-N 2.83Å; S533-N536 CarbonylContact O-C 3.59Å; S533-N536 PolarHBondContact O-N 3.22Å; S533-D537 VanDerWaalsContact O-CB 3.3Å; S533-D537 WeakPolarHBondContact O-CB 3.33Å; S533-D537 PolarHBondContact O-N 2.92Å; S533-D537 VanDerWaalsContact O-OD2 3.09Å; S533-D537 PolarHBondContact OG-OD2 2.96Å; S533-D537 VanDerWaalsContact OG-OD2 3.12Å
534	H	92.2	Very high	89.6	Confident	101 Å²	101	60.3 Å²	60.3	47%	0.468	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-48.5	-178.6	-177.7	54.6	0	0	0	112	E530 N531 N536 D537 L538	E530-H534 VanDerWaalsContact O-CB 3.31Å; E530-H534 WeakPolarHBondContact O-CB 3.28Å; E530-H534 PolarHBondContact O-N 2.97Å; N531-H534 PolarHBondContact O-N 3.38Å; H534-N536 PolarHBondContact O-N 2.94Å; H534-D537 PolarHBondContact O-N 2.85Å; H534-L538 WeakPolarHBondContact O-CG 3.4Å; H534-L538 PolarHBondContact O-N 3.47Å
535	V	93.1	Very high	89.5	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-45.2	176.1	167.3	0	0	0	0	111.5	L479 A482 T483 L486 N531 S533 D537 L538 A539 L557	L479-V535 HydrophobicContact CD1-CG1 4.17Å; L479-V535 WeakPolarHBondContact CD1-O 3.29Å; A482-V535 HydrophobicContact CB-CG2 3.62Å; A482-V535 WeakPolarHBondContact O-CG2 3.47Å; T483-V535 HydrophobicContact CG2-CG1 3.61Å; L486-V535 HydrophobicContact CB-CG2 4.41Å; L486-V535 HydrophobicContact CD2-CB 4.42Å; L486-V535 HydrophobicContact CD2-CG2 4.09Å; N531-V535 WeakPolarHBondContact O-CB 3.42Å; N531-V535 VanDerWaalsContact O-CG2 3.24Å; N531-V535 WeakPolarHBondContact O-CG2 3.44Å; N531-V535 PolarHBondContact O-N 2.89Å; S533-V535 PolarHBondContact O-N 2.83Å; V535-D537 VanDerWaalsContact C-N 3.34Å; V535-D537 PolarHBondContact O-N 3.36Å; V535-L538 PolarHBondContact O-N 3.41Å; V535-A539 WeakPolarHBondContact O-CB 3.26Å; V535-A539 PolarHBondContact O-N 2.97Å; V535-L557 HydrophobicContact CG1-CD2 3.19Å
536	N	92.8	Very high	89.1	Confident	42 Å²	42	61 Å²	61	23%	0.225	34%	0.339	C	S	.	.	H	α-helix	trans	-68	-32.5	176.3	-73.7	-46.4	0	0	0	112.8	V532 S533 H534 R540 N561	V532-N536 WeakPolarHBondContact CG1-ND2 3.11Å; V532-N536 WeakPolarHBondContact O-CB 3.35Å; V532-N536 VanDerWaalsContact O-CG 3.3Å; V532-N536 PolarHBondContact O-N 2.89Å; V532-N536 PolarHBondContact O-ND2 3.31Å; S533-N536 CarbonylContact O-C 3.59Å; S533-N536 PolarHBondContact O-N 3.22Å; H534-N536 PolarHBondContact O-N 2.94Å; N536-R540 VanDerWaalsContact O-CB 3.32Å; N536-R540 WeakPolarHBondContact O-CB 3.32Å; N536-R540 PolarHBondContact O-N 3.43Å; N536-N561 PolarHBondContact ND2-OD1 3.37Å; N536-N561 PolarHBondContact OD1-ND2 2.88Å
537	D	91.1	Very high	89.2	Confident	45 Å²	45	58.7 Å²	58.7	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-71.1	-40.9	177.4	-67.4	-28	0	0	0	110.5	S533 H534 V535 R540 Q541	S533-D537 VanDerWaalsContact O-CB 3.3Å; S533-D537 WeakPolarHBondContact O-CB 3.33Å; S533-D537 PolarHBondContact O-N 2.92Å; S533-D537 VanDerWaalsContact O-OD2 3.09Å; S533-D537 PolarHBondContact OG-OD2 2.96Å; S533-D537 VanDerWaalsContact OG-OD2 3.12Å; H534-D537 PolarHBondContact O-N 2.85Å; V535-D537 VanDerWaalsContact C-N 3.34Å; V535-D537 PolarHBondContact O-N 3.36Å; D537-R540 PolarHBondContact O-N 3.42Å; D537-R540 IonicContact OD1-CZ 2.81Å; D537-R540 IonicContact OD1-NH1 3.28Å; D537-R540 PolarHBondContact OD1-NH1 3.44Å; D537-R540 IonicContact OD1-NH2 3.95Å; D537-R540 PolarHBondContact OD1-NH2 2.98Å; D537-Q541 WeakPolarHBondContact O-CB 3.42Å; D537-Q541 VanDerWaalsContact O-CG 3.24Å; D537-Q541 WeakPolarHBondContact O-CG 3.36Å; D537-Q541 PolarHBondContact O-N 3.23Å
538	L	91.3	Very high	89.2	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-45.2	171.8	-71.6	172.5	0	0	0	111.3	E478 L479 A482 H534 V535 R540 Q541 L542	E478-L538 HydrophobicContact CB-CD1 4.27Å; E478-L538 HydrophobicContact CB-CD2 4.26Å; L479-L538 HydrophobicContact CB-CB 4.44Å; L479-L538 HydrophobicContact CD1-CB 3.96Å; A482-L538 HydrophobicContact CB-CD1 3.88Å; H534-L538 WeakPolarHBondContact O-CG 3.4Å; H534-L538 PolarHBondContact O-N 3.47Å; V535-L538 PolarHBondContact O-N 3.41Å; L538-R540 VanDerWaalsContact C-N 3.32Å; L538-R540 PolarHBondContact O-N 2.91Å; L538-Q541 PolarHBondContact O-N 3.27Å; L538-L542 PolarHBondContact O-N 2.88Å; L538-L542 VanDerWaalsContact O-N 3.11Å
539	A	90.6	Very high	89.1	Confident	8 Å²	8	63.6 Å²	63.6	7%	0.066	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-40.3	174.2	0	0	0	0	0	112.4	L479 V535 T543 L549 L557	L479-A539 HydrophobicContact CD1-CB 4.27Å; V535-A539 WeakPolarHBondContact O-CB 3.26Å; V535-A539 PolarHBondContact O-N 2.97Å; A539-T543 PolarHBondContact O-N 3.43Å; A539-T543 VanDerWaalsContact O-N 3.14Å; A539-T543 PolarHBondContact O-OG1 3.3Å; A539-L549 HydrophobicContact CB-CD1 3.79Å; A539-L557 HydrophobicContact CB-CD1 3.53Å; A539-L557 HydrophobicContact CB-CD2 4.37Å
540	R	88.8	Confident	89.1	Confident	135 Å²	135	57.3 Å²	57.3	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-67.8	-40.2	176.1	-163.9	-175.3	-46.5	114.1	16.1	111.8	N536 D537 L538 L542 T543 T544	N536-R540 VanDerWaalsContact O-CB 3.32Å; N536-R540 WeakPolarHBondContact O-CB 3.32Å; N536-R540 PolarHBondContact O-N 3.43Å; D537-R540 PolarHBondContact O-N 3.42Å; D537-R540 IonicContact OD1-CZ 2.81Å; D537-R540 IonicContact OD1-NH1 3.28Å; D537-R540 PolarHBondContact OD1-NH1 3.44Å; D537-R540 IonicContact OD1-NH2 3.95Å; D537-R540 PolarHBondContact OD1-NH2 2.98Å; L538-R540 VanDerWaalsContact C-N 3.32Å; L538-R540 PolarHBondContact O-N 2.91Å; R540-L542 VanDerWaalsContact C-N 3.34Å; R540-L542 PolarHBondContact O-N 3.4Å; R540-T543 CarbonylContact O-C 3.53Å; R540-T543 WeakPolarHBondContact O-CA 3.46Å; R540-T543 WeakPolarHBondContact O-CB 3.49Å; R540-T543 PolarHBondContact O-N 2.86Å; R540-T543 VanDerWaalsContact O-N 3.1Å; R540-T544 WeakPolarHBondContact O-CG2 3.15Å; R540-T544 PolarHBondContact O-N 2.85Å; R540-T544 PolarHBondContact O-OG1 3.01Å
541	Q	88.9	Confident	89	Confident	70 Å²	70	55.5 Å²	55.5	33%	0.327	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-45.2	176.6	-76.6	171.5	44.8	0	0	111.2	D537 L538 T543 T544 L545	D537-Q541 WeakPolarHBondContact O-CB 3.42Å; D537-Q541 VanDerWaalsContact O-CG 3.24Å; D537-Q541 WeakPolarHBondContact O-CG 3.36Å; D537-Q541 PolarHBondContact O-N 3.23Å; L538-Q541 PolarHBondContact O-N 3.27Å; Q541-T543 VanDerWaalsContact C-N 3.3Å; Q541-T543 PolarHBondContact O-N 2.85Å; Q541-T544 WeakPolarHBondContact CA-OG1 3.3Å; Q541-T544 PolarHBondContact O-N 3.49Å; Q541-T544 PolarHBondContact O-OG1 3.38Å; Q541-L545 WeakPolarHBondContact O-CG 3.07Å; Q541-L545 PolarHBondContact O-N 3.42Å
542	L	88.9	Confident	88.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-42.7	173	-73.2	163.5	0	0	0	111.9	T472 R475 L476 L479 L538 R540 T544 L545 I547 L549	T472-L542 HydrophobicContact CG2-CD2 4.4Å; R475-L542 HydrophobicContact CB-CD2 3.57Å; R475-L542 HydrophobicContact CB-CG 4.14Å; L476-L542 HydrophobicContact CD2-CD1 3.72Å; L476-L542 HydrophobicContact CD2-CD2 4.35Å; L476-L542 HydrophobicContact CG-CD1 4.29Å; L476-L542 HydrophobicContact CG-CD2 4.18Å; L479-L542 HydrophobicContact CB-CD1 4.4Å; L479-L542 HydrophobicContact CD2-CD1 3.78Å; L538-L542 PolarHBondContact O-N 2.88Å; L538-L542 VanDerWaalsContact O-N 3.11Å; R540-L542 VanDerWaalsContact C-N 3.34Å; R540-L542 PolarHBondContact O-N 3.4Å; L542-T544 PolarHBondContact O-N 2.81Å; L542-L545 WeakPolarHBondContact O-CB 3.36Å; L542-L545 PolarHBondContact O-N 2.83Å; L542-I547 HydrophobicContact CD2-CD1 4.03Å; L542-I547 WeakPolarHBondContact O-CB 3.25Å; L542-I547 PolarHBondContact O-N 3.16Å; L542-I547 VanDerWaalsContact O-N 3.07Å; L542-L549 HydrophobicContact CB-CD2 4.38Å; L542-L549 HydrophobicContact CD1-CD2 3.81Å
543	T	85.4	Confident	88.7	Confident	84 Å²	84	63.1 Å²	63.1	52%	0.515	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-39.1	176.5	-50.9	0	0	0	0	112.1	A539 R540 Q541 L545 G546	A539-T543 PolarHBondContact O-N 3.43Å; A539-T543 VanDerWaalsContact O-N 3.14Å; A539-T543 PolarHBondContact O-OG1 3.3Å; R540-T543 CarbonylContact O-C 3.53Å; R540-T543 WeakPolarHBondContact O-CA 3.46Å; R540-T543 WeakPolarHBondContact O-CB 3.49Å; R540-T543 PolarHBondContact O-N 2.86Å; R540-T543 VanDerWaalsContact O-N 3.1Å; Q541-T543 VanDerWaalsContact C-N 3.3Å; Q541-T543 PolarHBondContact O-N 2.85Å; T543-L545 VanDerWaalsContact C-N 3.26Å; T543-L545 PolarHBondContact O-N 2.81Å; T543-G546 WeakPolarHBondContact O-CA 3.44Å; T543-G546 PolarHBondContact O-N 3.45Å
544	T	85.2	Confident	88.6	Confident	112 Å²	112	64.2 Å²	64.2	69%	0.687	34%	0.34	S	S	*	.	H	α-helix	trans	-67.6	-25.8	176.2	55.7	0	0	0	0	113.2	R540 Q541 L542 G546	R540-T544 WeakPolarHBondContact O-CG2 3.15Å; R540-T544 PolarHBondContact O-N 2.85Å; R540-T544 PolarHBondContact O-OG1 3.01Å; Q541-T544 WeakPolarHBondContact CA-OG1 3.3Å; Q541-T544 PolarHBondContact O-N 3.49Å; Q541-T544 PolarHBondContact O-OG1 3.38Å; L542-T544 PolarHBondContact O-N 2.81Å; T544-G546 PolarHBondContact O-N 2.84Å
545	L	83.7	Confident	88.4	Confident	81 Å²	81	62.9 Å²	62.9	42%	0.424	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.7	170.6	-66.2	170.3	0	0	0	112.7	Q541 L542 T543 I547	Q541-L545 WeakPolarHBondContact O-CG 3.07Å; Q541-L545 PolarHBondContact O-N 3.42Å; L542-L545 WeakPolarHBondContact O-CB 3.36Å; L542-L545 PolarHBondContact O-N 2.83Å; T543-L545 VanDerWaalsContact C-N 3.26Å; T543-L545 PolarHBondContact O-N 2.81Å; L545-I547 HydrophobicContact CB-CD1 4.09Å; L545-I547 HydrophobicContact CB-CG1 4.16Å
546	G	82.4	Confident	88.3	Confident	65 Å²	65	64.5 Å²	64.5	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	15.4	-179.3	0	0	0	0	0	113.9	T543 T544	T543-G546 WeakPolarHBondContact O-CA 3.44Å; T543-G546 PolarHBondContact O-N 3.45Å; T544-G546 PolarHBondContact O-N 2.84Å
547	I	88.5	Confident	88.3	Confident	6 Å²	6	63 Å²	63	3%	0.031	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-95.4	116.8	-177.8	-51.5	174.2	0	0	0	108.3	I374 G375 T472 L542 L545 L549	I374-I547 HydrophobicContact CG2-CD1 4.46Å; G375-I547 WeakPolarHBondContact O-CG2 3.31Å; T472-I547 HydrophobicContact CG2-CD1 3.5Å; T472-I547 VanDerWaalsContact CG2-CD1 3.5Å; T472-I547 HydrophobicContact CG2-CG2 4.48Å; T472-I547 WeakPolarHBondContact OG1-CD1 3.45Å; L542-I547 HydrophobicContact CD2-CD1 4.03Å; L542-I547 WeakPolarHBondContact O-CB 3.25Å; L542-I547 PolarHBondContact O-N 3.16Å; L542-I547 VanDerWaalsContact O-N 3.07Å; L545-I547 HydrophobicContact CB-CD1 4.09Å; L545-I547 HydrophobicContact CB-CG1 4.16Å; I547-L549 PolarHBondContact O-N 3.36Å
548	Q	87.5	Confident	88.3	Confident	167 Å²	167	67 Å²	67	78%	0.78	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-80.7	116.8	175.2	-66.3	-169.5	-3.4	0	0	109.4	G376	G376-Q548 WeakPolarHBondContact CA-O 3.41Å
549	L	87.8	Confident	88.4	Confident	17 Å²	17	70.5 Å²	70.5	9%	0.089	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-59.8	145.3	175.5	-70.3	169.8	0	0	0	111.2	L476 L479 A539 L542 I547 N553 L554 L557	L476-L549 HydrophobicContact CD2-CD2 4.27Å; L479-L549 HydrophobicContact CD2-CD2 3.97Å; A539-L549 HydrophobicContact CB-CD1 3.79Å; L542-L549 HydrophobicContact CB-CD2 4.38Å; L542-L549 HydrophobicContact CD1-CD2 3.81Å; I547-L549 PolarHBondContact O-N 3.36Å; L549-N553 HydrophobicContact CB-CB 4.47Å; L549-N553 HydrophobicContact CD2-CB 4.47Å; L549-L554 HydrophobicContact CB-CD1 4.48Å; L549-L554 HydrophobicContact CB-CD2 4.37Å; L549-L554 HydrophobicContact CB-CG 4Å; L549-L554 HydrophobicContact CD1-CD2 4.43Å; L549-L557 HydrophobicContact CD1-CD1 3.93Å
550	S	90	Very high	88.5	Confident	13 Å²	13	70.3 Å²	70.3	9%	0.091	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-63.9	154.2	175.9	76.3	0	0	0	0	111.4	G376 Y552 N553 L554	G376-S550 PolarHBondContact O-N 2.89Å; S550-Y552 PolarHBondContact O-N 3.38Å; S550-Y552 VanDerWaalsContact O-N 3.17Å; S550-N553 PolarHBondContact O-N 3.05Å; S550-N553 VanDerWaalsContact O-N 3.12Å; S550-N553 PolarHBondContact OG-N 2.81Å; S550-L554 PolarHBondContact O-N 3.39Å
551	P	86.3	Confident	88.7	Confident	111 Å²	111	65.4 Å²	65.4	72%	0.721	36%	0.362	S	S	*	.	H	α-helix	trans	-55.8	-32.7	175	-25.7	34.3	0	0	0	113.1	S555	P551-S555 WeakPolarHBondContact O-CB 3.32Å; P551-S555 PolarHBondContact O-N 3.22Å
552	Y	87.3	Confident	88.8	Confident	171 Å²	171	65.7 Å²	65.7	67%	0.671	37%	0.369	S	S	*	.	H	α-helix	trans	-62.7	-53.6	175.2	176.6	-95.2	0	0	0	111.2	S550 L554 S555 T556	S550-Y552 PolarHBondContact O-N 3.38Å; S550-Y552 VanDerWaalsContact O-N 3.17Å; Y552-L554 VanDerWaalsContact C-N 3.32Å; Y552-L554 PolarHBondContact O-N 3.22Å; Y552-S555 PolarHBondContact O-N 3.1Å; Y552-T556 PolarHBondContact O-N 3.35Å; Y552-T556 PolarHBondContact O-OG1 2.69Å; Y552-T556 VanDerWaalsContact O-OG1 3.06Å
553	N	88.9	Confident	89	Confident	33 Å²	33	67.5 Å²	67.5	18%	0.176	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-39.5	-180	-74.7	-20.9	0	0	0	112	G376 L549 S550 T556 L557	G376-N553 PolarHBondContact O-ND2 2.86Å; L549-N553 HydrophobicContact CB-CB 4.47Å; L549-N553 HydrophobicContact CD2-CB 4.47Å; S550-N553 PolarHBondContact O-N 3.05Å; S550-N553 VanDerWaalsContact O-N 3.12Å; S550-N553 PolarHBondContact OG-N 2.81Å; N553-T556 PolarHBondContact O-N 2.97Å; N553-L557 WeakPolarHBondContact O-CB 3.01Å; N553-L557 VanDerWaalsContact O-CG 3.23Å; N553-L557 WeakPolarHBondContact O-CG 3.47Å; N553-L557 PolarHBondContact O-N 3.2Å
554	L	89.1	Confident	89.4	Confident	80 Å²	80	64.3 Å²	64.3	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-48	174.6	-76.8	165.3	0	0	0	111.8	L549 S550 Y552 T556 L557 E558	L549-L554 HydrophobicContact CB-CD1 4.48Å; L549-L554 HydrophobicContact CB-CD2 4.37Å; L549-L554 HydrophobicContact CB-CG 4Å; L549-L554 HydrophobicContact CD1-CD2 4.43Å; S550-L554 PolarHBondContact O-N 3.39Å; Y552-L554 VanDerWaalsContact C-N 3.32Å; Y552-L554 PolarHBondContact O-N 3.22Å; L554-T556 VanDerWaalsContact C-N 3.32Å; L554-T556 PolarHBondContact O-N 2.77Å; L554-L557 PolarHBondContact O-N 3.26Å; L554-E558 WeakPolarHBondContact O-CG 3.44Å; L554-E558 PolarHBondContact O-N 3.32Å
555	S	89.1	Confident	89.7	Confident	73 Å²	73	65.3 Å²	65.3	51%	0.51	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-39.1	177.8	-177	0	0	0	0	112.1	P551 Y552 E558 D559	P551-S555 WeakPolarHBondContact O-CB 3.32Å; P551-S555 PolarHBondContact O-N 3.22Å; Y552-S555 PolarHBondContact O-N 3.1Å; S555-E558 PolarHBondContact O-N 2.99Å; S555-D559 WeakPolarHBondContact O-CB 3.48Å; S555-D559 PolarHBondContact O-N 3.3Å
556	T	91.3	Very high	90.1	Very high	37 Å²	37	66.5 Å²	66.5	23%	0.227	36%	0.355	C	S	.	.	H	α-helix	trans	-65.4	-43.2	176.1	-58	0	0	0	0	111.3	Y552 N553 L554 D559 L560	Y552-T556 PolarHBondContact O-N 3.35Å; Y552-T556 PolarHBondContact O-OG1 2.69Å; Y552-T556 VanDerWaalsContact O-OG1 3.06Å; N553-T556 PolarHBondContact O-N 2.97Å; L554-T556 VanDerWaalsContact C-N 3.32Å; L554-T556 PolarHBondContact O-N 2.77Å; T556-D559 PolarHBondContact O-N 3.32Å; T556-L560 HydrophobicContact CG2-CD1 4.02Å; T556-L560 HydrophobicContact CG2-CG 4.43Å; T556-L560 WeakPolarHBondContact O-CB 3.38Å; T556-L560 VanDerWaalsContact O-CG 3.28Å; T556-L560 WeakPolarHBondContact O-CG 3.49Å; T556-L560 PolarHBondContact O-N 3.47Å
557	L	91.9	Very high	90.5	Very high	11 Å²	11	63.5 Å²	63.5	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.5	-74.1	167.4	0	0	0	111.9	L479 T483 V535 A539 L549 N553 L554 N561	L479-L557 HydrophobicContact CD1-CD2 4.34Å; T483-L557 HydrophobicContact CG2-CD2 4.18Å; V535-L557 HydrophobicContact CG1-CD2 3.19Å; A539-L557 HydrophobicContact CB-CD1 3.53Å; A539-L557 HydrophobicContact CB-CD2 4.37Å; L549-L557 HydrophobicContact CD1-CD1 3.93Å; N553-L557 WeakPolarHBondContact O-CB 3.01Å; N553-L557 VanDerWaalsContact O-CG 3.23Å; N553-L557 WeakPolarHBondContact O-CG 3.47Å; N553-L557 PolarHBondContact O-N 3.2Å; L554-L557 PolarHBondContact O-N 3.26Å; L557-N561 VanDerWaalsContact O-CB 3.29Å; L557-N561 WeakPolarHBondContact O-CB 3.35Å; L557-N561 PolarHBondContact O-N 3.44Å; L557-N561 PolarHBondContact O-ND2 2.97Å
558	E	90.9	Very high	90.7	Very high	129 Å²	129	66.6 Å²	66.6	60%	0.603	34%	0.338	S	S	*	.	H	α-helix	trans	-63.9	-42.7	176.9	-74.5	178.2	175.6	0	0	112	L554 S555 T562	L554-E558 WeakPolarHBondContact O-CG 3.44Å; L554-E558 PolarHBondContact O-N 3.32Å; S555-E558 PolarHBondContact O-N 2.99Å; E558-T562 VanDerWaalsContact O-CB 3.26Å; E558-T562 WeakPolarHBondContact O-CB 3.39Å; E558-T562 PolarHBondContact O-N 3.04Å; E558-T562 PolarHBondContact O-OG1 2.95Å
559	D	93.1	Very high	90.8	Very high	78 Å²	78	62.3 Å²	62.3	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-59.6	-52.8	175.4	179.4	66.8	0	0	0	111.4	S555 T556 N561 T562 R563	S555-D559 WeakPolarHBondContact O-CB 3.48Å; S555-D559 PolarHBondContact O-N 3.3Å; T556-D559 PolarHBondContact O-N 3.32Å; D559-N561 PolarHBondContact O-N 3.01Å; D559-T562 PolarHBondContact O-N 3.4Å; D559-T562 VanDerWaalsContact O-N 3.14Å; D559-R563 WeakPolarHBondContact O-CB 3.43Å; D559-R563 WeakPolarHBondContact O-CG 3.49Å; D559-R563 PolarHBondContact O-N 3.19Å; D559-R563 WeakPolarHBondContact OD1-CD 3.34Å; D559-R563 WeakPolarHBondContact OD2-CD 3.3Å; D559-R563 IonicContact OD2-NH1 3.57Å; D559-R563 PolarHBondContact OD2-NH1 3.49Å; D559-R563 VanDerWaalsContact OD2-NH1 3.13Å
560	L	93.1	Very high	90.9	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-43.4	-179.7	-67.4	173.1	0	0	0	112	T483 L486 D487 L490 T556 T562 W564	T483-L560 HydrophobicContact CG2-CD1 3.97Å; L486-L560 HydrophobicContact CD2-CB 4.14Å; L486-L560 HydrophobicContact CD2-CD1 4.28Å; D487-L560 HydrophobicContact CB-CD2 3.71Å; L490-L560 HydrophobicContact CD1-CB 4.33Å; L490-L560 HydrophobicContact CD1-CD2 3.86Å; T556-L560 HydrophobicContact CG2-CD1 4.02Å; T556-L560 HydrophobicContact CG2-CG 4.43Å; T556-L560 WeakPolarHBondContact O-CB 3.38Å; T556-L560 VanDerWaalsContact O-CG 3.28Å; T556-L560 WeakPolarHBondContact O-CG 3.49Å; T556-L560 PolarHBondContact O-N 3.47Å; L560-T562 VanDerWaalsContact C-N 3.33Å; L560-T562 PolarHBondContact O-N 2.96Å; L560-W564 WeakPolarHBondContact O-CB 3.4Å; L560-W564 PolarHBondContact O-N 3.02Å
561	N	93.1	Very high	91	Very high	32 Å²	32	61.8 Å²	61.8	17%	0.171	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-41.1	175.3	-84.9	-61	0	0	0	112.1	V532 N536 L557 D559 K565	V532-N561 WeakPolarHBondContact CG1-OD1 3.33Å; N536-N561 PolarHBondContact ND2-OD1 3.37Å; N536-N561 PolarHBondContact OD1-ND2 2.88Å; L557-N561 VanDerWaalsContact O-CB 3.29Å; L557-N561 WeakPolarHBondContact O-CB 3.35Å; L557-N561 PolarHBondContact O-N 3.44Å; L557-N561 PolarHBondContact O-ND2 2.97Å; D559-N561 PolarHBondContact O-N 3.01Å; N561-K565 WeakPolarHBondContact O-CG 3.32Å; N561-K565 PolarHBondContact O-N 3.47Å; N561-K565 VanDerWaalsContact O-N 3.12Å
562	T	91.4	Very high	91.1	Very high	75 Å²	75	60.4 Å²	60.4	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-68.9	-46.9	-179.7	-59.5	0	0	0	0	110.7	E558 D559 L560 W564 K565 L566	E558-T562 VanDerWaalsContact O-CB 3.26Å; E558-T562 WeakPolarHBondContact O-CB 3.39Å; E558-T562 PolarHBondContact O-N 3.04Å; E558-T562 PolarHBondContact O-OG1 2.95Å; D559-T562 PolarHBondContact O-N 3.4Å; D559-T562 VanDerWaalsContact O-N 3.14Å; L560-T562 VanDerWaalsContact C-N 3.33Å; L560-T562 PolarHBondContact O-N 2.96Å; T562-W564 PolarHBondContact O-N 3.41Å; T562-K565 PolarHBondContact O-N 3.28Å; T562-L566 HydrophobicContact CG2-CD1 3.94Å; T562-L566 HydrophobicContact CG2-CG 4.33Å; T562-L566 WeakPolarHBondContact O-CB 3.34Å; T562-L566 VanDerWaalsContact O-CG 3.29Å; T562-L566 WeakPolarHBondContact O-CG 3.46Å; T562-L566 PolarHBondContact O-N 2.97Å
563	R	94.3	Very high	91.1	Very high	39 Å²	39	54.9 Å²	54.9	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-44.5	177	-76	169.2	61.6	-154.2	-5.4	112.3	D487 L490 E494 D559 K565 L566 L567	D487-R563 IonicContact OD1-CZ 3.13Å; D487-R563 IonicContact OD1-NH1 2.81Å; D487-R563 PolarHBondContact OD1-NH1 3.48Å; D487-R563 IonicContact OD1-NH2 2.71Å; D487-R563 PolarHBondContact OD1-NH2 3.22Å; D487-R563 VanDerWaalsContact OD1-NH2 3.1Å; L490-R563 HydrophobicContact CD1-CB 4.42Å; E494-R563 WeakPolarHBondContact OE1-CB 3.41Å; E494-R563 IonicContact OE1-CZ 3.6Å; E494-R563 IonicContact OE1-NE 3.86Å; E494-R563 PolarHBondContact OE1-NE 2.88Å; E494-R563 IonicContact OE1-NH2 3.01Å; E494-R563 IonicContact OE2-CZ 3.8Å; E494-R563 IonicContact OE2-NE 3.73Å; E494-R563 PolarHBondContact OE2-NE 3.38Å; E494-R563 IonicContact OE2-NH2 2.88Å; E494-R563 PolarHBondContact OE2-NH2 2.81Å; D559-R563 WeakPolarHBondContact O-CB 3.43Å; D559-R563 WeakPolarHBondContact O-CG 3.49Å; D559-R563 PolarHBondContact O-N 3.19Å; D559-R563 WeakPolarHBondContact OD1-CD 3.34Å; D559-R563 WeakPolarHBondContact OD2-CD 3.3Å; D559-R563 IonicContact OD2-NH1 3.57Å; D559-R563 PolarHBondContact OD2-NH1 3.49Å; D559-R563 VanDerWaalsContact OD2-NH1 3.13Å; R563-K565 PolarHBondContact O-N 2.86Å; R563-L566 PolarHBondContact O-N 3.24Å; R563-L567 VanDerWaalsContact O-CB 3.28Å; R563-L567 WeakPolarHBondContact O-CB 2.85Å; R563-L567 PolarHBondContact O-N 3.42Å
564	W	93.8	Very high	91.2	Very high	17 Å²	17	54 Å²	54	6%	0.064	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-51.4	172.2	164.8	-115.7	0	0	0	112.3	L490 I525 L528 K529 V532 L560 T562 L566 L567 Q568	L490-W564 HydrophobicContact CD1-CB 4.44Å; L490-W564 HydrophobicContact CD2-CB 4.01Å; L490-W564 HydrophobicContact CD2-CE3 4.08Å; I525-W564 HydrophobicContact CB-CH2 4.37Å; I525-W564 HydrophobicContact CB-CZ3 3.92Å; I525-W564 HydrophobicContact CG1-CH2 4.36Å; I525-W564 HydrophobicContact CG1-CZ3 4.3Å; I525-W564 WeakPolarHBondContact O-CH2 3.46Å; I525-W564 WeakPolarHBondContact O-CZ3 3.31Å; L528-W564 HydrophobicContact CB-CE3 3.82Å; L528-W564 HydrophobicContact CB-CH2 4.14Å; L528-W564 HydrophobicContact CB-CZ3 3.56Å; L528-W564 HydrophobicContact CD1-CE3 4.23Å; L528-W564 HydrophobicContact CD1-CZ3 3.99Å; L528-W564 HydrophobicContact CG-CZ3 4.27Å; K529-W564 HydrophobicContact CB-CZ2 3.82Å; V532-W564 HydrophobicContact CG2-CB 3.93Å; V532-W564 HydrophobicContact CG2-CD2 4.23Å; V532-W564 HydrophobicContact CG2-CG 3.69Å; L560-W564 WeakPolarHBondContact O-CB 3.4Å; L560-W564 PolarHBondContact O-N 3.02Å; T562-W564 PolarHBondContact O-N 3.41Å; W564-L566 PolarHBondContact O-N 2.96Å; W564-L567 PolarHBondContact O-N 2.98Å; W564-Q568 PolarHBondContact O-N 3.33Å
565	K	90.5	Very high	91.1	Very high	133 Å²	133	51.3 Å²	51.3	58%	0.578	27%	0.269	S	S	*	.	H	α-helix	trans	-61.3	-44.4	179.1	-75.7	176.5	-178.9	176	0	111.9	N561 T562 R563 L567 Q568 V569	N561-K565 WeakPolarHBondContact O-CG 3.32Å; N561-K565 PolarHBondContact O-N 3.47Å; N561-K565 VanDerWaalsContact O-N 3.12Å; T562-K565 PolarHBondContact O-N 3.28Å; R563-K565 PolarHBondContact O-N 2.86Å; K565-L567 VanDerWaalsContact C-N 3.32Å; K565-L567 PolarHBondContact O-N 3.45Å; K565-Q568 PolarHBondContact O-N 3.01Å; K565-V569 WeakPolarHBondContact O-CG2 3.2Å; K565-V569 PolarHBondContact O-N 3.47Å
566	L	91.3	Very high	91	Very high	105 Å²	105	54.3 Å²	54.3	55%	0.55	27%	0.269	S	S	.	.	H	α-helix	trans	-64.2	-37.5	178.1	-72.3	175.3	0	0	0	112.1	T562 R563 W564 A570	T562-L566 HydrophobicContact CG2-CD1 3.94Å; T562-L566 HydrophobicContact CG2-CG 4.33Å; T562-L566 WeakPolarHBondContact O-CB 3.34Å; T562-L566 VanDerWaalsContact O-CG 3.29Å; T562-L566 WeakPolarHBondContact O-CG 3.46Å; T562-L566 PolarHBondContact O-N 2.97Å; R563-L566 PolarHBondContact O-N 3.24Å; W564-L566 PolarHBondContact O-N 2.96Å; L566-A570 VanDerWaalsContact O-CB 3.22Å; L566-A570 WeakPolarHBondContact O-CB 3.37Å; L566-A570 PolarHBondContact O-N 2.96Å
567	L	92.6	Very high	90.7	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-45.9	174.7	-179.4	66.7	0	0	0	110.9	L490 A493 K497 I525 R563 W564 K565 A570 V571	L490-L567 HydrophobicContact CD2-CD2 3.99Å; A493-L567 HydrophobicContact CB-CD1 4.39Å; A493-L567 HydrophobicContact CB-CD2 3.52Å; K497-L567 HydrophobicContact CB-CD1 4.16Å; K497-L567 HydrophobicContact CD-CD1 4.02Å; I525-L567 HydrophobicContact CG2-CD2 4.15Å; R563-L567 VanDerWaalsContact O-CB 3.28Å; R563-L567 WeakPolarHBondContact O-CB 2.85Å; R563-L567 PolarHBondContact O-N 3.42Å; W564-L567 PolarHBondContact O-N 2.98Å; K565-L567 VanDerWaalsContact C-N 3.32Å; K565-L567 PolarHBondContact O-N 3.45Å; L567-A570 PolarHBondContact O-N 2.88Å; L567-V571 HydrophobicContact CD1-CG2 4.31Å; L567-V571 WeakPolarHBondContact O-CG2 3.37Å; L567-V571 PolarHBondContact O-N 3.17Å
568	Q	91.4	Very high	90.4	Very high	71 Å²	71	56.1 Å²	56.1	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-51.4	177	-173.8	-173.9	-3.9	0	0	111.4	W564 K565 A570 V571 E572	W564-Q568 PolarHBondContact O-N 3.33Å; K565-Q568 PolarHBondContact O-N 3.01Å; Q568-A570 PolarHBondContact O-N 3.43Å; Q568-V571 PolarHBondContact O-N 2.81Å; Q568-E572 PolarHBondContact NE2-OE1 2.89Å; Q568-E572 VanDerWaalsContact NE2-OE1 3.13Å; Q568-E572 WeakPolarHBondContact O-CG 3.32Å; Q568-E572 PolarHBondContact O-N 3.26Å
569	V	89.8	Confident	89.9	Confident	77 Å²	77	53.8 Å²	53.8	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-45.6	178.5	172.4	0	0	0	0	110.7	K565 V571 E572 D573	K565-V569 WeakPolarHBondContact O-CG2 3.2Å; K565-V569 PolarHBondContact O-N 3.47Å; V569-V571 VanDerWaalsContact C-N 3.29Å; V569-V571 PolarHBondContact O-N 3.24Å; V569-E572 PolarHBondContact O-N 2.83Å; V569-D573 WeakPolarHBondContact O-CB 3.43Å; V569-D573 PolarHBondContact O-N 3.27Å
570	A	90.2	Very high	89.3	Confident	19 Å²	19	53.7 Å²	53.7	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-36.8	179.8	0	0	0	0	0	112.9	K497 L566 L567 Q568 R574	K497-A570 HydrophobicContact CD-CB 3.9Å; K497-A570 VanDerWaalsContact CE-CB 3.49Å; L566-A570 VanDerWaalsContact O-CB 3.22Å; L566-A570 WeakPolarHBondContact O-CB 3.37Å; L566-A570 PolarHBondContact O-N 2.96Å; L567-A570 PolarHBondContact O-N 2.88Å; Q568-A570 PolarHBondContact O-N 3.43Å; A570-R574 VanDerWaalsContact O-CB 3.28Å; A570-R574 WeakPolarHBondContact O-CB 3.41Å; A570-R574 PolarHBondContact O-N 3.43Å
571	V	91.3	Very high	88.5	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-70.7	-44.5	177.5	173.7	0	0	0	0	111	W500 V518 L521 R522 I525 L567 Q568 V569 R574 V575	W500-V571 HydrophobicContact CH2-CB 4.24Å; W500-V571 HydrophobicContact CH2-CG2 3.66Å; W500-V571 HydrophobicContact CZ2-CG2 4.36Å; V518-V571 HydrophobicContact CG1-CG1 4.15Å; L521-V571 HydrophobicContact CD2-CG2 4.15Å; R522-V571 HydrophobicContact CB-CG1 3.78Å; R522-V571 HydrophobicContact CG-CG1 4.16Å; I525-V571 HydrophobicContact CD1-CB 3.89Å; I525-V571 HydrophobicContact CD1-CG1 3.89Å; I525-V571 HydrophobicContact CD1-CG2 3.63Å; L567-V571 HydrophobicContact CD1-CG2 4.31Å; L567-V571 WeakPolarHBondContact O-CG2 3.37Å; L567-V571 PolarHBondContact O-N 3.17Å; Q568-V571 PolarHBondContact O-N 2.81Å; V569-V571 VanDerWaalsContact C-N 3.29Å; V569-V571 PolarHBondContact O-N 3.24Å; V571-R574 PolarHBondContact O-N 2.9Å; V571-V575 WeakPolarHBondContact O-CG2 3.41Å; V571-V575 PolarHBondContact O-N 3.03Å
572	E	88.3	Confident	87.7	Confident	82 Å²	82	55.6 Å²	55.6	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-44.2	175.8	-71.3	177.5	-175.3	0	0	111.7	Q568 V569 R574 V575 R576	Q568-E572 PolarHBondContact NE2-OE1 2.89Å; Q568-E572 VanDerWaalsContact NE2-OE1 3.13Å; Q568-E572 WeakPolarHBondContact O-CG 3.32Å; Q568-E572 PolarHBondContact O-N 3.26Å; V569-E572 PolarHBondContact O-N 2.83Å; E572-R574 PolarHBondContact O-N 2.85Å; E572-V575 PolarHBondContact O-N 3.27Å; E572-R576 PolarHBondContact O-N 2.95Å
573	D	87.6	Confident	86.6	Confident	54 Å²	54	59.4 Å²	59.4	29%	0.289	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-43.8	174.9	-81.7	-18.6	0	0	0	111.9	V569 V575 R576 Q577	V569-D573 WeakPolarHBondContact O-CB 3.43Å; V569-D573 PolarHBondContact O-N 3.27Å; D573-V575 PolarHBondContact O-N 3.36Å; D573-R576 WeakPolarHBondContact O-CB 3.37Å; D573-R576 PolarHBondContact O-N 3.37Å; D573-R576 IonicContact OD1-CZ 3.9Å; D573-R576 IonicContact OD1-NE 3.66Å; D573-R576 IonicContact OD1-NH2 3.97Å; D573-R576 PolarHBondContact OD1-NH2 2.72Å; D573-Q577 VanDerWaalsContact O-CG 3.3Å; D573-Q577 WeakPolarHBondContact O-CG 3.12Å; D573-Q577 PolarHBondContact O-N 3.25Å
574	R	91.3	Very high	85.3	Confident	16 Å²	16	61.3 Å²	61.3	6%	0.06	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-41.2	178.6	-176	59.9	177.2	-156.5	-2.9	112.1	W500 Q501 V518 A570 V571 E572 R576 Q577 L578	W500-R574 HydrophobicContact CD2-CG 4.1Å; W500-R574 HydrophobicContact CE3-CB 3.96Å; W500-R574 HydrophobicContact CE3-CG 3.74Å; W500-R574 HydrophobicContact CH2-CB 3.88Å; W500-R574 HydrophobicContact CH2-CG 4.08Å; W500-R574 HydrophobicContact CZ2-CG 4.39Å; W500-R574 HydrophobicContact CZ3-CB 3.49Å; W500-R574 VanDerWaalsContact CZ3-CB 3.49Å; W500-R574 HydrophobicContact CZ3-CG 3.75Å; Q501-R574 PolarHBondContact O-NH1 3.29Å; Q501-R574 PolarHBondContact O-NH2 3.45Å; V518-R574 HydrophobicContact CG1-CB 4.17Å; V518-R574 HydrophobicContact CG1-CG 4Å; V518-R574 HydrophobicContact CG2-CG 3.87Å; A570-R574 VanDerWaalsContact O-CB 3.28Å; A570-R574 WeakPolarHBondContact O-CB 3.41Å; A570-R574 PolarHBondContact O-N 3.43Å; V571-R574 PolarHBondContact O-N 2.9Å; E572-R574 PolarHBondContact O-N 2.85Å; R574-R576 VanDerWaalsContact C-N 3.3Å; R574-R576 PolarHBondContact O-N 3.48Å; R574-Q577 PolarHBondContact O-N 3.21Å; R574-L578 HydrophobicContact CG-CD1 4.04Å; R574-L578 WeakPolarHBondContact O-CB 3.25Å; R574-L578 WeakPolarHBondContact O-CG 3.4Å; R574-L578 PolarHBondContact O-N 2.85Å
575	V	87.8	Confident	84	Confident	22 Å²	22	64.9 Å²	64.9	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-42.2	174.4	170.9	0	0	0	0	110.8	L515 V518 V571 E572 D573 H579	L515-V575 HydrophobicContact CD1-CG1 4.31Å; V518-V575 HydrophobicContact CB-CG2 4.37Å; V518-V575 HydrophobicContact CG1-CG2 3.55Å; V571-V575 WeakPolarHBondContact O-CG2 3.41Å; V571-V575 PolarHBondContact O-N 3.03Å; E572-V575 PolarHBondContact O-N 3.27Å; D573-V575 PolarHBondContact O-N 3.36Å; V575-H579 WeakPolarHBondContact CG1-ND1 3.4Å; V575-H579 PolarHBondContact O-N 3.13Å; V575-H579 PolarHBondContact O-ND1 2.76Å
576	R	85.5	Confident	82.7	Confident	137 Å²	137	58.9 Å²	58.9	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-63.2	-51.7	177.7	173.7	173.3	58.1	155.1	-0.6	111.7	E572 D573 R574 L578 H579 E580	E572-R576 PolarHBondContact O-N 2.95Å; D573-R576 WeakPolarHBondContact O-CB 3.37Å; D573-R576 PolarHBondContact O-N 3.37Å; D573-R576 IonicContact OD1-CZ 3.9Å; D573-R576 IonicContact OD1-NE 3.66Å; D573-R576 IonicContact OD1-NH2 3.97Å; D573-R576 PolarHBondContact OD1-NH2 2.72Å; R574-R576 VanDerWaalsContact C-N 3.3Å; R574-R576 PolarHBondContact O-N 3.48Å; R576-L578 VanDerWaalsContact C-N 3.31Å; R576-L578 PolarHBondContact O-N 3.26Å; R576-H579 PolarHBondContact O-N 3.25Å; R576-H579 VanDerWaalsContact O-N 3.15Å; R576-E580 WeakPolarHBondContact CG-OE1 3.08Å; R576-E580 WeakPolarHBondContact O-CG 3.03Å; R576-E580 PolarHBondContact O-N 2.85Å
577	Q	85.5	Confident	80.9	Confident	85 Å²	85	60.2 Å²	60.2	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-40.7	-179.8	-68.4	171.4	-1.9	0	0	112.2	V503 D573 R574 E580 A581	V503-Q577 HydrophobicContact CG2-CB 3.85Å; D573-Q577 VanDerWaalsContact O-CG 3.3Å; D573-Q577 WeakPolarHBondContact O-CG 3.12Å; D573-Q577 PolarHBondContact O-N 3.25Å; R574-Q577 PolarHBondContact O-N 3.21Å; Q577-E580 PolarHBondContact O-N 3.14Å; Q577-A581 WeakPolarHBondContact O-CB 3.22Å; Q577-A581 PolarHBondContact O-N 3.3Å
578	L	86.1	Confident	79	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.8	-37.3	176.6	-71.1	172.5	0	0	0	112.5	V503 L506 L511 H514 L515 V518 R574 R576 H582	V503-L578 HydrophobicContact CG1-CD2 4.23Å; V503-L578 HydrophobicContact CG2-CD2 4.1Å; V503-L578 HydrophobicContact CG2-CG 4.44Å; L506-L578 HydrophobicContact CD1-CD2 3.42Å; L506-L578 VanDerWaalsContact CD1-CD2 3.42Å; L511-L578 HydrophobicContact CD2-CD2 3.97Å; H514-L578 HydrophobicContact CB-CD1 4.13Å; H514-L578 HydrophobicContact CB-CD2 4.24Å; L515-L578 HydrophobicContact CB-CB 4.47Å; L515-L578 HydrophobicContact CD1-CB 3.71Å; V518-L578 HydrophobicContact CB-CD1 4.44Å; V518-L578 HydrophobicContact CG2-CD1 3.93Å; R574-L578 HydrophobicContact CG-CD1 4.04Å; R574-L578 WeakPolarHBondContact O-CB 3.25Å; R574-L578 WeakPolarHBondContact O-CG 3.4Å; R574-L578 PolarHBondContact O-N 2.85Å; R576-L578 VanDerWaalsContact C-N 3.31Å; R576-L578 PolarHBondContact O-N 3.26Å; L578-H582 WeakPolarHBondContact O-CB 3.28Å; L578-H582 PolarHBondContact O-N 3.34Å
579	H	80.4	Confident	77.7	Confident	81 Å²	81	62 Å²	62	38%	0.375	32%	0.322	S	S	.	.	H	α-helix	trans	-66.5	-40	173.1	-84.2	97.4	0	0	0	112.3	L515 V575 R576 H582 R583	L515-H579 WeakPolarHBondContact CD1-ND1 3.28Å; V575-H579 WeakPolarHBondContact CG1-ND1 3.4Å; V575-H579 PolarHBondContact O-N 3.13Å; V575-H579 PolarHBondContact O-ND1 2.76Å; R576-H579 PolarHBondContact O-N 3.25Å; R576-H579 VanDerWaalsContact O-N 3.15Å; H579-H582 PolarHBondContact O-N 2.8Å; H579-R583 WeakPolarHBondContact O-CB 3.36Å; H579-R583 PolarHBondContact O-N 3.5Å
580	E	79.4	Confident	76.8	Confident	76 Å²	76	59.4 Å²	59.4	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-53.7	175	-79	162.2	-171.7	0	0	110.5	R576 Q577 H582 R583 D584	R576-E580 WeakPolarHBondContact CG-OE1 3.08Å; R576-E580 WeakPolarHBondContact O-CG 3.03Å; R576-E580 PolarHBondContact O-N 2.85Å; Q577-E580 PolarHBondContact O-N 3.14Å; E580-H582 VanDerWaalsContact C-N 3.32Å; E580-H582 PolarHBondContact O-N 2.8Å; E580-R583 PolarHBondContact O-N 2.93Å; E580-R583 VanDerWaalsContact O-N 3.13Å; E580-D584 VanDerWaalsContact O-CG 3.26Å; E580-D584 PolarHBondContact O-N 3.44Å
581	A	77.5	Confident	75.9	Confident	14 Å²	14	63 Å²	63	12%	0.116	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-41.4	176.8	0	0	0	0	0	112.6	V503 L511 Q577 R583 D584 F585	V503-A581 HydrophobicContact CG1-CB 3.63Å; L511-A581 HydrophobicContact CD1-CB 4.14Å; L511-A581 HydrophobicContact CD2-CB 4.08Å; Q577-A581 WeakPolarHBondContact O-CB 3.22Å; Q577-A581 PolarHBondContact O-N 3.3Å; A581-R583 VanDerWaalsContact C-N 3.33Å; A581-R583 PolarHBondContact O-N 2.87Å; A581-D584 PolarHBondContact O-N 3.42Å; A581-F585 WeakPolarHBondContact O-CB 3.25Å; A581-F585 WeakPolarHBondContact O-CD2 3.33Å; A581-F585 PolarHBondContact O-N 2.89Å
582	H	75.4	Confident	75.4	Confident	62 Å²	62	66.8 Å²	66.8	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-67.4	-31.9	178.1	-169.9	74.4	0	0	0	113	L578 H579 E580 G586	L578-H582 WeakPolarHBondContact O-CB 3.28Å; L578-H582 PolarHBondContact O-N 3.34Å; H579-H582 PolarHBondContact O-N 2.8Å; E580-H582 VanDerWaalsContact C-N 3.32Å; E580-H582 PolarHBondContact O-N 2.8Å; H582-G586 WeakPolarHBondContact O-CA 3.41Å; H582-G586 PolarHBondContact O-N 3.43Å
583	R	69.4	Low	75.2	Confident	155 Å²	155	62.9 Å²	62.9	59%	0.585	32%	0.316	S	S	*	.	H	α-helix	trans	-72	-44.5	174.4	173.7	179	53.7	-129.1	-5.9	111.7	H579 E580 A581	H579-R583 WeakPolarHBondContact O-CB 3.36Å; H579-R583 PolarHBondContact O-N 3.5Å; E580-R583 PolarHBondContact O-N 2.93Å; E580-R583 VanDerWaalsContact O-N 3.13Å; A581-R583 VanDerWaalsContact C-N 3.33Å; A581-R583 PolarHBondContact O-N 2.87Å
584	D	65.8	Low	75	Confident	78 Å²	78	62.6 Å²	62.6	42%	0.417	32%	0.319	S	S	.	.	H	α-helix	trans	-80.7	-31.6	-169.2	-62.2	-13.2	0	0	0	112	E580 A581 S589	E580-D584 VanDerWaalsContact O-CG 3.26Å; E580-D584 PolarHBondContact O-N 3.44Å; A581-D584 PolarHBondContact O-N 3.42Å; D584-S589 WeakPolarHBondContact O-CB 3.48Å; D584-S589 PolarHBondContact O-OG 2.83Å
585	F	66.4	Low	74.7	Confident	93 Å²	93	66.2 Å²	66.2	41%	0.408	34%	0.342	S	S	.	.	H	α-helix	trans	-115.5	3.2	-178.4	-57.8	-78.5	0	0	0	113.6	I508 A581 H591	I508-F585 HydrophobicContact CD1-CB 4.26Å; I508-F585 HydrophobicContact CG1-CB 4.36Å; I508-F585 HydrophobicContact CG2-CB 4.41Å; I508-F585 WeakPolarHBondContact CG2-O 3.44Å; A581-F585 WeakPolarHBondContact O-CB 3.25Å; A581-F585 WeakPolarHBondContact O-CD2 3.33Å; A581-F585 PolarHBondContact O-N 2.89Å; F585-H591 AromaticContact CE1-CD2 3.96Å; F585-H591 AromaticContact CE1-CE1 3.72Å; F585-H591 AromaticContact CE1-NE2 3.68Å
586	G	62.9	Low	74.8	Confident	6 Å²	6	65.5 Å²	65.5	6%	0.062	34%	0.338	C	S	.	.	S	Bend	trans	-70.7	172.1	179.5	0	0	0	0	0	114	H582 A588 S589	H582-G586 WeakPolarHBondContact O-CA 3.41Å; H582-G586 PolarHBondContact O-N 3.43Å; G586-A588 PolarHBondContact O-N 3.25Å; G586-S589 VanDerWaalsContact O-CB 3.31Å; G586-S589 WeakPolarHBondContact O-CB 3.48Å; G586-S589 PolarHBondContact O-N 2.85Å; G586-S589 PolarHBondContact O-OG 2.81Å
587	P	54.3	Low	74.9	Confident	134 Å²	134	59.7 Å²	59.7	87%	0.87	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.6	-174.8	-22.5	32.1	0	0	0	115.7
588	A	53.5	Low	75	Confident	80 Å²	80	63.3 Å²	63.3	66%	0.661	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.4	178.9	0	0	0	0	0	113.7	G586	G586-A588 PolarHBondContact O-N 3.25Å
589	S	63.8	Low	74.7	Confident	31 Å²	31	66.9 Å²	66.9	22%	0.217	37%	0.372	C	S	.	.			trans	-82.1	139.7	-175.5	69.2	0	0	0	0	112.5	D584 G586 H591	D584-S589 WeakPolarHBondContact O-CB 3.48Å; D584-S589 PolarHBondContact O-OG 2.83Å; G586-S589 VanDerWaalsContact O-CB 3.31Å; G586-S589 WeakPolarHBondContact O-CB 3.48Å; G586-S589 PolarHBondContact O-N 2.85Å; G586-S589 PolarHBondContact O-OG 2.81Å; S589-H591 PolarHBondContact O-N 3.14Å
590	Q	70.3	Confident	75	Confident	22 Å²	22	64.6 Å²	64.6	10%	0.103	36%	0.364	C	S	.	.			trans	-79.9	9.2	169.3	-61.2	-176.2	24.8	0	0	112.1	F592 L593 R603 I605 L688 I691	Q590-F592 PolarHBondContact O-N 3.4Å; Q590-L593 WeakPolarHBondContact O-CB 3.38Å; Q590-L593 PolarHBondContact O-N 2.87Å; Q590-R603 VanDerWaalsContact OE1-NH2 3.12Å; Q590-I605 HydrophobicContact CB-CD1 3.9Å; Q590-I605 HydrophobicContact CG-CD1 4.25Å; Q590-L688 HydrophobicContact CG-CD1 4.22Å; Q590-I691 VanDerWaalsContact CD-CD1 3.47Å; Q590-I691 HydrophobicContact CG-CD1 3.92Å
591	H	70.8	Confident	75.5	Confident	94 Å²	94	64 Å²	64	44%	0.435	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.4	-169.6	-172.4	-81.8	0	0	0	112.3	F585 S589 L593 S594	F585-H591 AromaticContact CE1-CD2 3.96Å; F585-H591 AromaticContact CE1-CE1 3.72Å; F585-H591 AromaticContact CE1-NE2 3.68Å; S589-H591 PolarHBondContact O-N 3.14Å; H591-L593 PolarHBondContact O-N 3.39Å; H591-L593 VanDerWaalsContact O-N 3.16Å; H591-S594 VanDerWaalsContact O-CB 3.25Å; H591-S594 WeakPolarHBondContact O-CB 3.42Å; H591-S594 PolarHBondContact O-N 3.29Å; H591-S594 PolarHBondContact O-OG 3.01Å
592	F	81.9	Confident	76.1	Confident	81 Å²	81	67.7 Å²	67.7	36%	0.355	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-59.6	-28.1	176.4	83.1	-86.2	0	0	0	112.8	Q590 S594 T595 I691 P712	Q590-F592 PolarHBondContact O-N 3.4Å; F592-S594 VanDerWaalsContact C-N 3.27Å; F592-S594 PolarHBondContact O-N 3.22Å; F592-T595 PolarHBondContact O-OG1 2.83Å; F592-I691 HydrophobicContact CE1-CG2 4.31Å; F592-I691 HydrophobicContact CZ-CG2 4.17Å; F592-P712 HydrophobicContact CD2-CG 4.31Å
593	L	84.8	Confident	76.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-75.5	-9.6	175.9	-62.3	176.6	0	0	0	113.5	Q590 H591 T595 S596 R603 I691 P712 V715	Q590-L593 WeakPolarHBondContact O-CB 3.38Å; Q590-L593 PolarHBondContact O-N 2.87Å; H591-L593 PolarHBondContact O-N 3.39Å; H591-L593 VanDerWaalsContact O-N 3.16Å; L593-T595 PolarHBondContact O-N 2.72Å; L593-S596 VanDerWaalsContact O-CB 3.26Å; L593-S596 WeakPolarHBondContact O-CB 3.43Å; L593-S596 PolarHBondContact O-N 3.44Å; L593-S596 PolarHBondContact O-OG 2.72Å; L593-R603 WeakPolarHBondContact O-CD 3.49Å; L593-I691 HydrophobicContact CD1-CD1 3.77Å; L593-I691 HydrophobicContact CD1-CG1 4.11Å; L593-I691 HydrophobicContact CD1-CG2 3.97Å; L593-P712 HydrophobicContact CD2-CB 4.29Å; L593-P712 WeakPolarHBondContact CD2-O 3.32Å; L593-V715 HydrophobicContact CD1-CG1 4.39Å; L593-V715 HydrophobicContact CD2-CB 4.08Å; L593-V715 HydrophobicContact CD2-CG1 3.94Å
594	S	82.8	Confident	77.7	Confident	48 Å²	48	59 Å²	59	34%	0.336	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58	-28.4	172.3	61.4	0	0	0	0	112	H591 F592 S596 V597	H591-S594 VanDerWaalsContact O-CB 3.25Å; H591-S594 WeakPolarHBondContact O-CB 3.42Å; H591-S594 PolarHBondContact O-N 3.29Å; H591-S594 PolarHBondContact O-OG 3.01Å; F592-S594 VanDerWaalsContact C-N 3.27Å; F592-S594 PolarHBondContact O-N 3.22Å; S594-S596 PolarHBondContact O-N 3.19Å; S594-V597 WeakPolarHBondContact O-CG2 3.48Å
595	T	85.6	Confident	78.8	Confident	91 Å²	91	58.6 Å²	58.6	56%	0.558	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-75.4	-5.2	176.9	65.3	0	0	0	0	114.3	F592 L593 V597 P712	F592-T595 PolarHBondContact O-OG1 2.83Å; L593-T595 PolarHBondContact O-N 2.72Å; T595-V597 PolarHBondContact O-N 2.98Å; T595-P712 WeakPolarHBondContact OG1-CB 3.29Å
596	S	88.1	Confident	79.6	Confident	7 Å²	7	54.9 Å²	54.9	5%	0.049	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-66.4	-27.3	176.6	71.2	0	0	0	0	112.3	L593 S594 H625 D716	L593-S596 VanDerWaalsContact O-CB 3.26Å; L593-S596 WeakPolarHBondContact O-CB 3.43Å; L593-S596 PolarHBondContact O-N 3.44Å; L593-S596 PolarHBondContact O-OG 2.72Å; S594-S596 PolarHBondContact O-N 3.19Å; S596-H625 PolarHBondContact O-NE2 2.67Å; S596-D716 PolarHBondContact OG-OD2 3.39Å
597	V	89.4	Confident	80.2	Confident	15 Å²	15	60.5 Å²	60.5	9%	0.091	36%	0.359	C	S	.	.	S	Bend	trans	-109.3	154.3	177.8	-65.4	0	0	0	0	111.4	S594 T595 W601 R603 Y613 P626	S594-V597 WeakPolarHBondContact O-CG2 3.48Å; T595-V597 PolarHBondContact O-N 2.98Å; V597-W601 HydrophobicContact CB-CB 4Å; V597-W601 HydrophobicContact CG1-CB 4.38Å; V597-W601 WeakPolarHBondContact CG2-O 3.36Å; V597-R603 HydrophobicContact CG2-CB 3.99Å; V597-Y613 HydrophobicContact CG1-CD1 3.77Å; V597-Y613 HydrophobicContact CG1-CE1 3.94Å; V597-P626 HydrophobicContact CG1-CG 3.94Å
598	Q	86.5	Confident	81.3	Confident	162 Å²	162	58.9 Å²	58.9	76%	0.757	34%	0.343	S	S	*	.			trans	-117.9	152.2	174.8	-64.3	-177.8	-5.4	0	0	108.8	W601	Q598-W601 WeakPolarHBondContact O-CB 3.39Å; Q598-W601 PolarHBondContact O-N 3.04Å
599	G	79	Confident	82.8	Confident	75 Å²	75	61.3 Å²	61.3	77%	0.773	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	133.7	174.7	0	0	0	0	0	110.8
600	P	88.1	Confident	83.9	Confident	33 Å²	33	59.8 Å²	59.8	21%	0.214	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	cis	-89.7	8.9	16.9	38.7	-42.3	0	0	0	116	H616 E617	P600-H616 PolarHBondContact O-CD2 3.18Å; P600-H616 PolarHBondContact O-N 3.08Å; P600-E617 HydrophobicContact CB-CB 4.02Å; P600-E617 HydrophobicContact CB-CG 3.52Å; P600-E617 HydrophobicContact CG-CB 4.18Å; P600-E617 VanDerWaalsContact CG-CD 3.47Å; P600-E617 HydrophobicContact CG-CG 3.89Å
601	W	89.9	Confident	84.9	Confident	63 Å²	63	58.8 Å²	58.8	24%	0.239	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.2	-175.4	-67.5	90.5	0	0	0	112.7	V597 Q598 I614 N615 C622 P626	V597-W601 HydrophobicContact CB-CB 4Å; V597-W601 HydrophobicContact CG1-CB 4.38Å; V597-W601 WeakPolarHBondContact CG2-O 3.36Å; Q598-W601 WeakPolarHBondContact O-CB 3.39Å; Q598-W601 PolarHBondContact O-N 3.04Å; W601-I614 CarbonylContact C-O 3.5Å; W601-I614 VanDerWaalsContact CA-O 3.32Å; W601-I614 WeakPolarHBondContact CA-O 3.41Å; W601-N615 HydrophobicContact CD2-CB 3.94Å; W601-N615 HydrophobicContact CE3-CB 3.71Å; W601-N615 HydrophobicContact CH2-CB 3.65Å; W601-N615 HydrophobicContact CZ2-CB 3.85Å; W601-N615 WeakPolarHBondContact CZ2-ND2 3.44Å; W601-N615 HydrophobicContact CZ3-CB 3.57Å; W601-C622 VanDerWaalsContact CZ3-SG 3.54Å; W601-P626 HydrophobicContact CB-CG 4.34Å; W601-P626 HydrophobicContact CD2-CB 3.97Å; W601-P626 HydrophobicContact CD2-CG 4.09Å; W601-P626 HydrophobicContact CG-CB 4.15Å; W601-P626 HydrophobicContact CG-CG 3.99Å; W601-P626 HydrophobicContact CZ2-CB 4.24Å
602	E	90.3	Very high	85.9	Confident	92 Å²	92	57.6 Å²	57.6	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.4	172	-178.5	-178	168.2	0	0	110.5	Y613 I614 H616	E602-Y613 CarbonylContact O-C 3.33Å; E602-Y613 WeakPolarHBondContact O-CA 3.31Å; E602-I614 HydrophobicContact CB-CB 4.41Å; E602-I614 PolarHBondContact N-O 2.96Å; E602-I614 PolarHBondContact O-N 3.49Å; E602-H616 WeakPolarHBondContact CB-NE2 3.11Å; E602-H616 IonicContact OE2-CD2 3.84Å; E602-H616 IonicContact OE2-CE1 3.31Å; E602-H616 PolarHBondContact OE2-CE1 3.35Å; E602-H616 VanDerWaalsContact OE2-CE1 3.3Å; E602-H616 IonicContact OE2-NE2 3.77Å; E602-H616 PolarHBondContact OE2-NE2 3Å
603	R	90.5	Very high	86.5	Confident	20 Å²	20	53.8 Å²	53.8	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.1	172.2	-178.8	-174	-174	-83.8	2.7	108.9	Q590 L593 V597 Y613 D716	Q590-R603 VanDerWaalsContact OE1-NH2 3.12Å; L593-R603 WeakPolarHBondContact O-CD 3.49Å; V597-R603 HydrophobicContact CG2-CB 3.99Å; R603-Y613 HydrophobicContact CB-CD1 4.16Å; R603-Y613 HydrophobicContact CB-CE1 4.09Å; R603-Y613 HydrophobicContact CG-CD1 4.3Å; R603-Y613 HydrophobicContact CG-CE1 3.85Å; R603-D716 WeakPolarHBondContact CD-OD2 3.4Å; R603-D716 IonicContact CZ-OD1 2.69Å; R603-D716 VanDerWaalsContact NE-CG 3.34Å; R603-D716 IonicContact NE-OD1 3.7Å; R603-D716 PolarHBondContact NE-OD1 3.37Å; R603-D716 IonicContact NE-OD2 2.72Å; R603-D716 PolarHBondContact NE-OD2 3.4Å; R603-D716 IonicContact NH2-OD1 3.92Å; R603-D716 PolarHBondContact NH2-OD1 3.12Å
604	A	87.9	Confident	86.7	Confident	13 Å²	13	55.3 Å²	55.3	11%	0.107	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	167.2	175.9	0	0	0	0	0	111.1	P611 Y612 I614	A604-P611 WeakPolarHBondContact O-CA 3.23Å; A604-Y612 HydrophobicContact CB-CD1 4.12Å; A604-Y612 HydrophobicContact CB-CD2 4.19Å; A604-Y612 HydrophobicContact CB-CE1 3.57Å; A604-Y612 HydrophobicContact CB-CE2 3.66Å; A604-Y612 HydrophobicContact CB-CG 4.4Å; A604-Y612 PolarHBondContact N-O 2.95Å; A604-Y612 PolarHBondContact O-N 3.45Å; A604-Y612 VanDerWaalsContact O-O 3.1Å; A604-I614 HydrophobicContact CB-CD1 3.9Å; A604-I614 HydrophobicContact CB-CG1 4.28Å
605	I	87.2	Confident	87.1	Confident	71 Å²	71	53.7 Å²	53.7	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.6	-175	-58.9	172.9	0	0	0	109	Q590 K609 Y612	Q590-I605 HydrophobicContact CB-CD1 3.9Å; Q590-I605 HydrophobicContact CG-CD1 4.25Å; I605-K609 HydrophobicContact CG2-CB 4.43Å; I605-K609 HydrophobicContact CG2-CD 4.29Å; I605-Y612 VanDerWaalsContact C-CE1 3.5Å
606	S	83.9	Confident	87.1	Confident	15 Å²	15	54.4 Å²	54.4	11%	0.105	29%	0.291	C	S	.	.			trans	-73.1	168.2	176.6	67.9	0	0	0	0	112	N608 K609 V610	S606-N608 PolarHBondContact O-N 3.28Å; S606-K609 WeakPolarHBondContact O-CA 3.49Å; S606-K609 PolarHBondContact O-N 3.48Å; S606-V610 WeakPolarHBondContact CB-O 3.32Å; S606-V610 PolarHBondContact N-O 3.47Å; S606-V610 WeakPolarHBondContact OG-CA 3.47Å; S606-V610 VanDerWaalsContact OG-CB 3.32Å; S606-V610 WeakPolarHBondContact OG-CB 3.34Å; S606-V610 PolarHBondContact OG-N 3.43Å; S606-V610 PolarHBondContact OG-O 3.23Å
607	P	76.4	Confident	87	Confident	123 Å²	123	61.4 Å²	61.4	80%	0.799	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.6	175.9	-27.7	36.4	0	0	0	113.5	K609	P607-K609 PolarHBondContact O-N 3.46Å; P607-K609 VanDerWaalsContact O-N 3.11Å
608	N	77.7	Confident	86.9	Confident	101 Å²	101	64.5 Å²	64.5	54%	0.54	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	13.4	176.6	-64.5	-11.9	0	0	0	113.2	S606 V610	S606-N608 PolarHBondContact O-N 3.28Å; N608-V610 HydrophobicContact CB-CG2 4.2Å; N608-V610 PolarHBondContact O-N 2.8Å; N608-V610 VanDerWaalsContact O-N 3.13Å
609	K	83.6	Confident	86.8	Confident	130 Å²	130	65.3 Å²	65.3	57%	0.565	35%	0.346	S	S	*	.	S	Bend	trans	65.2	7.6	-178.4	-49.8	-58.5	-178.4	-177.9	0	115.1	I605 S606 P607 I687	I605-K609 HydrophobicContact CG2-CB 4.43Å; I605-K609 HydrophobicContact CG2-CD 4.29Å; S606-K609 WeakPolarHBondContact O-CA 3.49Å; S606-K609 PolarHBondContact O-N 3.48Å; P607-K609 PolarHBondContact O-N 3.46Å; P607-K609 VanDerWaalsContact O-N 3.11Å; K609-I687 HydrophobicContact CB-CD1 4.46Å; K609-I687 WeakPolarHBondContact O-CD1 3.36Å
610	V	88.2	Confident	87	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.324	C	S	.	.			trans	-71.9	126.3	174.9	-172.5	0	0	0	0	110.3	S606 N608 W623 I687 L723 R730	S606-V610 WeakPolarHBondContact CB-O 3.32Å; S606-V610 PolarHBondContact N-O 3.47Å; S606-V610 WeakPolarHBondContact OG-CA 3.47Å; S606-V610 VanDerWaalsContact OG-CB 3.32Å; S606-V610 WeakPolarHBondContact OG-CB 3.34Å; S606-V610 PolarHBondContact OG-N 3.43Å; S606-V610 PolarHBondContact OG-O 3.23Å; N608-V610 HydrophobicContact CB-CG2 4.2Å; N608-V610 PolarHBondContact O-N 2.8Å; N608-V610 VanDerWaalsContact O-N 3.13Å; V610-W623 HydrophobicContact CB-CZ3 4.3Å; V610-W623 HydrophobicContact CG1-CE3 4.14Å; V610-W623 HydrophobicContact CG1-CZ3 3.91Å; V610-I687 HydrophobicContact CB-CD1 3.99Å; V610-I687 HydrophobicContact CG2-CD1 3.66Å; V610-L723 HydrophobicContact CG1-CD1 4.29Å; V610-R730 HydrophobicContact CG1-CB 4.34Å; V610-R730 HydrophobicContact CG2-CB 4.35Å; V610-R730 WeakPolarHBondContact CG2-O 3.48Å
611	P	91.1	Very high	86.9	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.1	175.1	28.3	-33.5	0	0	0	111.2	A604 L719 L723	A604-P611 WeakPolarHBondContact O-CA 3.23Å; P611-L719 HydrophobicContact CG-CD2 3.94Å; P611-L723 HydrophobicContact CG-CD1 4.34Å
612	Y	91.6	Very high	86.9	Confident	69 Å²	69	64.4 Å²	64.4	27%	0.271	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.9	168.8	69.4	-82.9	0	0	0	109.2	A604 I605 I614 T621	A604-Y612 HydrophobicContact CB-CD1 4.12Å; A604-Y612 HydrophobicContact CB-CD2 4.19Å; A604-Y612 HydrophobicContact CB-CE1 3.57Å; A604-Y612 HydrophobicContact CB-CE2 3.66Å; A604-Y612 HydrophobicContact CB-CG 4.4Å; A604-Y612 PolarHBondContact N-O 2.95Å; A604-Y612 PolarHBondContact O-N 3.45Å; A604-Y612 VanDerWaalsContact O-O 3.1Å; I605-Y612 VanDerWaalsContact C-CE1 3.5Å; Y612-I614 HydrophobicContact CD2-CG1 4.02Å; Y612-I614 HydrophobicContact CE2-CD1 3.76Å; Y612-I614 HydrophobicContact CE2-CG1 3.66Å; Y612-T621 HydrophobicContact CD2-CG2 4.47Å; Y612-T621 HydrophobicContact CE2-CG2 4.41Å
613	Y	93.4	Very high	87	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.1	-171.4	-55	-83.9	0	0	0	110	V597 E602 R603 T621 C622 D624 H625 D716	V597-Y613 HydrophobicContact CG1-CD1 3.77Å; V597-Y613 HydrophobicContact CG1-CE1 3.94Å; E602-Y613 CarbonylContact O-C 3.33Å; E602-Y613 WeakPolarHBondContact O-CA 3.31Å; R603-Y613 HydrophobicContact CB-CD1 4.16Å; R603-Y613 HydrophobicContact CB-CE1 4.09Å; R603-Y613 HydrophobicContact CG-CD1 4.3Å; R603-Y613 HydrophobicContact CG-CE1 3.85Å; Y613-T621 CarbonylContact O-C 3.6Å; Y613-T621 VanDerWaalsContact O-CA 3.28Å; Y613-T621 WeakPolarHBondContact O-CA 3.43Å; Y613-C622 PolarHBondContact N-O 3.03Å; Y613-C622 PolarHBondContact O-N 3.07Å; Y613-D624 WeakPolarHBondContact CD2-O 3.18Å; Y613-H625 HydrophobicContact CD2-CB 4.42Å; Y613-H625 HydrophobicContact CE1-CB 4.32Å; Y613-H625 AromaticContact CE1-CD2 3.5Å; Y613-H625 VanDerWaalsContact CE1-CD2 3.5Å; Y613-H625 WeakPolarHBondContact CE1-CD2 3.35Å; Y613-H625 VanDerWaalsContact CE2-CA 3.44Å; Y613-H625 HydrophobicContact CE2-CB 3.8Å; Y613-H625 AromaticContact CZ-CD2 3.62Å; Y613-D716 WeakPolarHBondContact CE1-OD2 3.29Å; Y613-D716 PolarHBondContact OH-OD1 3.37Å; Y613-D716 PolarHBondContact OH-OD2 3.09Å
614	I	90.3	Very high	87	Confident	33 Å²	33	64 Å²	64	17%	0.169	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.7	-178.6	-49.1	179.2	0	0	0	107.3	W601 E602 A604 Y612 T621	W601-I614 CarbonylContact C-O 3.5Å; W601-I614 VanDerWaalsContact CA-O 3.32Å; W601-I614 WeakPolarHBondContact CA-O 3.41Å; E602-I614 HydrophobicContact CB-CB 4.41Å; E602-I614 PolarHBondContact N-O 2.96Å; E602-I614 PolarHBondContact O-N 3.49Å; A604-I614 HydrophobicContact CB-CD1 3.9Å; A604-I614 HydrophobicContact CB-CG1 4.28Å; Y612-I614 HydrophobicContact CD2-CG1 4.02Å; Y612-I614 HydrophobicContact CE2-CD1 3.76Å; Y612-I614 HydrophobicContact CE2-CG1 3.66Å; I614-T621 HydrophobicContact CB-CG2 4.46Å; I614-T621 HydrophobicContact CG1-CG2 4.03Å; I614-T621 HydrophobicContact CG2-CG2 4.27Å
615	N	89.4	Confident	87.3	Confident	13 Å²	13	63.5 Å²	63.5	7%	0.07	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.4	169	-173	-28.5	0	0	0	108.8	W601 E617 T618 Q619 T620	W601-N615 HydrophobicContact CD2-CB 3.94Å; W601-N615 HydrophobicContact CE3-CB 3.71Å; W601-N615 HydrophobicContact CH2-CB 3.65Å; W601-N615 HydrophobicContact CZ2-CB 3.85Å; W601-N615 WeakPolarHBondContact CZ2-ND2 3.44Å; W601-N615 HydrophobicContact CZ3-CB 3.57Å; N615-E617 VanDerWaalsContact C-N 3.34Å; N615-E617 WeakPolarHBondContact OD1-CB 3.46Å; N615-E617 PolarHBondContact OD1-N 2.83Å; N615-T618 VanDerWaalsContact CB-OG1 3.26Å; N615-T618 WeakPolarHBondContact CB-OG1 3.21Å; N615-T618 PolarHBondContact ND2-OG1 2.83Å; N615-T618 PolarHBondContact OD1-N 3.14Å; N615-Q619 WeakPolarHBondContact O-CA 3.43Å; N615-Q619 PolarHBondContact O-N 2.91Å; N615-T620 PolarHBondContact N-O 3.47Å; N615-T620 PolarHBondContact O-N 3.47Å
616	H	86.1	Confident	87.6	Confident	107 Å²	107	60.8 Å²	60.8	50%	0.495	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.8	-179.1	-71.2	-71.4	0	0	0	113.8	P600 E602	P600-H616 PolarHBondContact O-CD2 3.18Å; P600-H616 PolarHBondContact O-N 3.08Å; E602-H616 WeakPolarHBondContact CB-NE2 3.11Å; E602-H616 IonicContact OE2-CD2 3.84Å; E602-H616 IonicContact OE2-CE1 3.31Å; E602-H616 PolarHBondContact OE2-CE1 3.35Å; E602-H616 VanDerWaalsContact OE2-CE1 3.3Å; E602-H616 IonicContact OE2-NE2 3.77Å; E602-H616 PolarHBondContact OE2-NE2 3Å
617	E	86.6	Confident	88	Confident	154 Å²	154	64.8 Å²	64.8	72%	0.72	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-44.4	175.7	-83	173.6	-166.5	0	0	111.8	P600 N615	P600-E617 HydrophobicContact CB-CB 4.02Å; P600-E617 HydrophobicContact CB-CG 3.52Å; P600-E617 HydrophobicContact CG-CB 4.18Å; P600-E617 VanDerWaalsContact CG-CD 3.47Å; P600-E617 HydrophobicContact CG-CG 3.89Å; N615-E617 VanDerWaalsContact C-N 3.34Å; N615-E617 WeakPolarHBondContact OD1-CB 3.46Å; N615-E617 PolarHBondContact OD1-N 2.83Å
618	T	86.7	Confident	88.8	Confident	80 Å²	80	58.9 Å²	58.9	49%	0.491	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.6	-179.1	58.3	0	0	0	0	113.5	N615 T620	N615-T618 VanDerWaalsContact CB-OG1 3.26Å; N615-T618 WeakPolarHBondContact CB-OG1 3.21Å; N615-T618 PolarHBondContact ND2-OG1 2.83Å; N615-T618 PolarHBondContact OD1-N 3.14Å; T618-T620 PolarHBondContact O-N 3.36Å; T618-T620 PolarHBondContact OG1-OG1 3.32Å
619	Q	85.5	Confident	89.4	Confident	178 Å²	178	55.4 Å²	55.4	83%	0.832	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	32.9	-173.2	-56.8	-168	-12	0	0	113.7	N615	N615-Q619 WeakPolarHBondContact O-CA 3.43Å; N615-Q619 PolarHBondContact O-N 2.91Å
620	T	81.8	Confident	89.8	Confident	52 Å²	52	55 Å²	55	32%	0.319	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.5	179.5	56.8	0	0	0	0	111.1	N615 T618	N615-T620 PolarHBondContact N-O 3.47Å; N615-T620 PolarHBondContact O-N 3.47Å; T618-T620 PolarHBondContact O-N 3.36Å; T618-T620 PolarHBondContact OG1-OG1 3.32Å
621	T	87.6	Confident	90.1	Very high	69 Å²	69	55.8 Å²	55.8	42%	0.423	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.4	171.4	59.1	0	0	0	0	110.8	Y612 Y613 I614	Y612-T621 HydrophobicContact CD2-CG2 4.47Å; Y612-T621 HydrophobicContact CE2-CG2 4.41Å; Y613-T621 CarbonylContact O-C 3.6Å; Y613-T621 VanDerWaalsContact O-CA 3.28Å; Y613-T621 WeakPolarHBondContact O-CA 3.43Å; I614-T621 HydrophobicContact CB-CG2 4.46Å; I614-T621 HydrophobicContact CG1-CG2 4.03Å; I614-T621 HydrophobicContact CG2-CG2 4.27Å
622	C	88.5	Confident	90	Very high	32 Å²	32	56.7 Å²	56.7	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.1	176	65.3	0	0	0	0	112.1	W601 Y613 D624	W601-C622 VanDerWaalsContact CZ3-SG 3.54Å; Y613-C622 PolarHBondContact N-O 3.03Å; Y613-C622 PolarHBondContact O-N 3.07Å; C622-D624 PolarHBondContact SG-O 3.41Å
623	W	92.2	Very high	89.9	Confident	78 Å²	78	59 Å²	59	30%	0.295	29%	0.292	S	S	.	.	S	Bend	trans	-84.4	-19.8	176.3	-63	106.2	0	0	0	113.2	V610 N720 R730	V610-W623 HydrophobicContact CB-CZ3 4.3Å; V610-W623 HydrophobicContact CG1-CE3 4.14Å; V610-W623 HydrophobicContact CG1-CZ3 3.91Å; W623-N720 PolarHBondContact O-ND2 3.43Å; W623-R730 HydrophobicContact CD2-CG 4.17Å; W623-R730 HydrophobicContact CE3-CG 4.25Å; W623-R730 HydrophobicContact CZ3-CG 4.48Å
624	D	91.5	Very high	89.8	Confident	26 Å²	26	60 Å²	60	14%	0.139	30%	0.3	C	S	.	.	S	Bend	trans	-91	133.5	-177.4	-67.8	-38.5	0	0	0	109.9	Y613 C622 N724 R730 H957	Y613-D624 WeakPolarHBondContact CD2-O 3.18Å; C622-D624 PolarHBondContact SG-O 3.41Å; D624-N724 PolarHBondContact OD1-ND2 3.34Å; D624-N724 PolarHBondContact OD1-OD1 2.96Å; D624-R730 IonicContact OD1-NH2 3.76Å; D624-H957 IonicContact OD2-CE1 2.79Å; D624-H957 PolarHBondContact OD2-CE1 3.31Å; D624-H957 VanDerWaalsContact OD2-CE1 3.31Å; D624-H957 IonicContact OD2-ND1 2.76Å; D624-H957 PolarHBondContact OD2-ND1 2.94Å
625	H	94.3	Very high	89.9	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.293	C	S	.	.			trans	-57.9	143.6	173.5	-177.2	-79.7	0	0	0	109.5	S596 Y613 K627 M628 T629 L713 D716 M717 N720	S596-H625 PolarHBondContact O-NE2 2.67Å; Y613-H625 HydrophobicContact CD2-CB 4.42Å; Y613-H625 HydrophobicContact CE1-CB 4.32Å; Y613-H625 AromaticContact CE1-CD2 3.5Å; Y613-H625 VanDerWaalsContact CE1-CD2 3.5Å; Y613-H625 WeakPolarHBondContact CE1-CD2 3.35Å; Y613-H625 VanDerWaalsContact CE2-CA 3.44Å; Y613-H625 HydrophobicContact CE2-CB 3.8Å; Y613-H625 AromaticContact CZ-CD2 3.62Å; H625-K627 VanDerWaalsContact C-N 3.34Å; H625-K627 PolarHBondContact ND1-N 3.46Å; H625-K627 PolarHBondContact O-N 3.29Å; H625-M628 HydrophobicContact CB-CB 3.99Å; H625-M628 WeakPolarHBondContact O-CA 3.44Å; H625-M628 VanDerWaalsContact O-CB 3.27Å; H625-M628 WeakPolarHBondContact O-CB 3.33Å; H625-M628 PolarHBondContact O-N 3.3Å; H625-T629 PolarHBondContact O-N 3.22Å; H625-T629 PolarHBondContact O-OG1 3.02Å; H625-L713 VanDerWaalsContact CE1-CD1 3.46Å; H625-L713 WeakPolarHBondContact CE1-CD1 3.42Å; H625-D716 IonicContact CD2-OD2 2.67Å; H625-D716 PolarHBondContact CD2-OD2 3.32Å; H625-M717 HydrophobicContact CB-SD 4.06Å; H625-M717 PolarHBondContact ND1-SD 2.86Å; H625-M717 VanDerWaalsContact ND1-SD 3.37Å; H625-N720 HydrophobicContact CB-CB 4.31Å; H625-N720 PolarHBondContact N-ND2 2.99Å; H625-N720 PolarHBondContact N-OD1 3.2Å
626	P	93.3	Very high	89.6	Confident	14 Å²	14	60.4 Å²	60.4	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-54.4	-46.7	-177.7	16.9	-31	0	0	0	112.8	V597 W601 M628 T629 E630	V597-P626 HydrophobicContact CG1-CG 3.94Å; W601-P626 HydrophobicContact CB-CG 4.34Å; W601-P626 HydrophobicContact CD2-CB 3.97Å; W601-P626 HydrophobicContact CD2-CG 4.09Å; W601-P626 HydrophobicContact CG-CB 4.15Å; W601-P626 HydrophobicContact CG-CG 3.99Å; W601-P626 HydrophobicContact CZ2-CB 4.24Å; P626-M628 VanDerWaalsContact C-N 3.27Å; P626-M628 PolarHBondContact O-N 3.25Å; P626-T629 WeakPolarHBondContact O-CB 3.49Å; P626-T629 PolarHBondContact O-N 2.79Å; P626-T629 VanDerWaalsContact O-N 3.17Å; P626-E630 PolarHBondContact O-N 3.36Å
627	K	92.9	Very high	89.7	Confident	99 Å²	99	60.4 Å²	60.4	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-25.1	173.5	-64.2	-162	-173.8	-176.1	0	114.5	H625 L631 L713 M717	H625-K627 VanDerWaalsContact C-N 3.34Å; H625-K627 PolarHBondContact ND1-N 3.46Å; H625-K627 PolarHBondContact O-N 3.29Å; K627-L631 VanDerWaalsContact O-CB 3.31Å; K627-L631 WeakPolarHBondContact O-CB 3.22Å; K627-L631 PolarHBondContact O-N 2.83Å; K627-L713 HydrophobicContact CD-CD1 3.88Å; K627-L713 HydrophobicContact CD-CD2 3.89Å; K627-L713 HydrophobicContact CD-CG 4.48Å; K627-M717 HydrophobicContact CB-CE 4.27Å; K627-M717 HydrophobicContact CB-SD 3.73Å
628	M	93.3	Very high	89.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-72.9	-40.5	173.9	-172.4	68	77.8	0	0	110.5	H625 P626 L631 Y632 L655 L659 M717 N720 W721	H625-M628 HydrophobicContact CB-CB 3.99Å; H625-M628 WeakPolarHBondContact O-CA 3.44Å; H625-M628 VanDerWaalsContact O-CB 3.27Å; H625-M628 WeakPolarHBondContact O-CB 3.33Å; H625-M628 PolarHBondContact O-N 3.3Å; P626-M628 VanDerWaalsContact C-N 3.27Å; P626-M628 PolarHBondContact O-N 3.25Å; M628-L631 WeakPolarHBondContact O-CB 3.25Å; M628-L631 PolarHBondContact O-N 3.27Å; M628-L631 HydrophobicContact SD-CD2 4.02Å; M628-Y632 HydrophobicContact CG-CD2 3.8Å; M628-Y632 HydrophobicContact CG-CE2 3.28Å; M628-Y632 WeakPolarHBondContact O-CD2 3.04Å; M628-Y632 PolarHBondContact O-N 3.32Å; M628-Y632 HydrophobicContact SD-CD2 4.49Å; M628-Y632 HydrophobicContact SD-CE1 4.05Å; M628-Y632 HydrophobicContact SD-CE2 3.88Å; M628-Y632 VanDerWaalsContact SD-CZ 3.58Å; M628-L655 HydrophobicContact SD-CD1 4.35Å; M628-L659 HydrophobicContact CE-CD2 4.29Å; M628-M717 HydrophobicContact CB-CE 4.09Å; M628-M717 HydrophobicContact CB-SD 3.92Å; M628-M717 HydrophobicContact CE-CE 3.89Å; M628-M717 WeakPolarHBondContact CE-O 3.47Å; M628-M717 HydrophobicContact CE-SD 4.32Å; M628-M717 PolarHBondContact N-SD 2.82Å; M628-M717 VanDerWaalsContact N-SD 3.45Å; M628-M717 HydrophobicContact SD-CE 4Å; M628-N720 WeakPolarHBondContact CB-OD1 3.09Å; M628-N720 HydrophobicContact CE-CB 4.15Å; M628-N720 WeakPolarHBondContact CG-OD1 3.35Å; M628-W721 HydrophobicContact CE-CB 3.58Å
629	T	90.6	Very high	89.8	Confident	27 Å²	27	54.8 Å²	54.8	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-48.1	174.7	-55.4	0	0	0	0	110.8	H625 P626 L631 Y632 Q633	H625-T629 PolarHBondContact O-N 3.22Å; H625-T629 PolarHBondContact O-OG1 3.02Å; P626-T629 WeakPolarHBondContact O-CB 3.49Å; P626-T629 PolarHBondContact O-N 2.79Å; P626-T629 VanDerWaalsContact O-N 3.17Å; T629-L631 VanDerWaalsContact C-N 3.31Å; T629-L631 PolarHBondContact O-N 3.24Å; T629-Y632 PolarHBondContact O-N 2.84Å; T629-Q633 WeakPolarHBondContact O-CG 3.29Å; T629-Q633 PolarHBondContact O-N 2.64Å
630	E	91.8	Very high	89.6	Confident	123 Å²	123	53 Å²	53	58%	0.575	28%	0.28	S	S	*	.	H	α-helix	trans	-57.8	-42.9	173.3	-69.6	173.8	-170.5	0	0	112.2	P626 Q633 S634	P626-E630 PolarHBondContact O-N 3.36Å; E630-Q633 PolarHBondContact O-N 3.37Å; E630-S634 PolarHBondContact O-N 3.42Å
631	L	92.8	Very high	89.8	Confident	16 Å²	16	51.2 Å²	51.2	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-50.1	177.9	178.6	62.7	0	0	0	111.1	K627 M628 T629 Q633 S634 L635 R654 L655 A658 M717	K627-L631 VanDerWaalsContact O-CB 3.31Å; K627-L631 WeakPolarHBondContact O-CB 3.22Å; K627-L631 PolarHBondContact O-N 2.83Å; M628-L631 WeakPolarHBondContact O-CB 3.25Å; M628-L631 PolarHBondContact O-N 3.27Å; M628-L631 HydrophobicContact SD-CD2 4.02Å; T629-L631 VanDerWaalsContact C-N 3.31Å; T629-L631 PolarHBondContact O-N 3.24Å; L631-Q633 PolarHBondContact O-N 3Å; L631-S634 CarbonylContact O-C 3.54Å; L631-S634 WeakPolarHBondContact O-CA 3.35Å; L631-S634 WeakPolarHBondContact O-CB 3.43Å; L631-S634 PolarHBondContact O-N 3.04Å; L631-S634 VanDerWaalsContact O-N 3.08Å; L631-S634 PolarHBondContact O-OG 3.41Å; L631-L635 HydrophobicContact CD1-CD2 4.39Å; L631-L635 WeakPolarHBondContact O-CG 3.32Å; L631-L635 PolarHBondContact O-N 3.03Å; L631-R654 HydrophobicContact CD1-CG 4.16Å; L631-L655 HydrophobicContact CD2-CD1 3.6Å; L631-A658 HydrophobicContact CD1-CB 3.81Å; L631-A658 HydrophobicContact CD2-CB 3.54Å; L631-A658 HydrophobicContact CG-CB 4.31Å; L631-M717 HydrophobicContact CD2-CE 4.3Å
632	Y	90.3	Very high	89.5	Confident	20 Å²	20	55.9 Å²	55.9	8%	0.078	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-39.1	179.5	-70.1	-39.5	0	0	0	112.8	M628 T629 S634 L635 A636 N724 Q787 H957	M628-Y632 HydrophobicContact CG-CD2 3.8Å; M628-Y632 HydrophobicContact CG-CE2 3.28Å; M628-Y632 WeakPolarHBondContact O-CD2 3.04Å; M628-Y632 PolarHBondContact O-N 3.32Å; M628-Y632 HydrophobicContact SD-CD2 4.49Å; M628-Y632 HydrophobicContact SD-CE1 4.05Å; M628-Y632 HydrophobicContact SD-CE2 3.88Å; M628-Y632 VanDerWaalsContact SD-CZ 3.58Å; T629-Y632 PolarHBondContact O-N 2.84Å; Y632-S634 VanDerWaalsContact C-N 3.29Å; Y632-S634 PolarHBondContact O-N 2.66Å; Y632-L635 HydrophobicContact CD1-CD1 3.92Å; Y632-L635 WeakPolarHBondContact O-CB 3.36Å; Y632-L635 PolarHBondContact O-N 3.17Å; Y632-L635 VanDerWaalsContact O-N 3.08Å; Y632-A636 PolarHBondContact O-N 3.36Å; Y632-N724 PolarHBondContact OH-ND2 3.11Å; Y632-Q787 PolarHBondContact OH-NE2 3.45Å; Y632-H957 VanDerWaalsContact CB-NE2 3.34Å; Y632-H957 WeakPolarHBondContact CB-NE2 3.34Å; Y632-H957 AromaticContact CD2-CE1 3.46Å; Y632-H957 VanDerWaalsContact CD2-CE1 3.46Å; Y632-H957 WeakPolarHBondContact CD2-CE1 3.39Å; Y632-H957 AromaticContact CD2-NE2 3.51Å; Y632-H957 AromaticContact CG-NE2 3.77Å
633	Q	89.2	Confident	89.3	Confident	116 Å²	116	55 Å²	55	54%	0.542	27%	0.272	S	S	.	.	H	α-helix	trans	-57.1	-45.1	170.9	-71.6	173.5	1.4	0	0	110.8	T629 E630 L631 L635 A636	T629-Q633 WeakPolarHBondContact O-CG 3.29Å; T629-Q633 PolarHBondContact O-N 2.64Å; E630-Q633 PolarHBondContact O-N 3.37Å; L631-Q633 PolarHBondContact O-N 3Å; Q633-L635 PolarHBondContact O-N 2.91Å; Q633-A636 VanDerWaalsContact O-CB 3.22Å; Q633-A636 WeakPolarHBondContact O-CB 2.88Å; Q633-A636 PolarHBondContact O-N 3.09Å; Q633-A636 VanDerWaalsContact O-N 3.07Å
634	S	92	Very high	89	Confident	22 Å²	22	52.1 Å²	52.1	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-18.8	177.3	86.9	0	0	0	0	114.6	E630 L631 Y632 A636 R654	E630-S634 PolarHBondContact O-N 3.42Å; L631-S634 CarbonylContact O-C 3.54Å; L631-S634 WeakPolarHBondContact O-CA 3.35Å; L631-S634 WeakPolarHBondContact O-CB 3.43Å; L631-S634 PolarHBondContact O-N 3.04Å; L631-S634 VanDerWaalsContact O-N 3.08Å; L631-S634 PolarHBondContact O-OG 3.41Å; Y632-S634 VanDerWaalsContact C-N 3.29Å; Y632-S634 PolarHBondContact O-N 2.66Å; S634-A636 VanDerWaalsContact C-N 3.3Å; S634-R654 PolarHBondContact O-NH1 3.13Å; S634-R654 VanDerWaalsContact OG-CZ 3.25Å; S634-R654 PolarHBondContact OG-NE 3.07Å; S634-R654 VanDerWaalsContact OG-NE 3.15Å; S634-R654 PolarHBondContact OG-NH2 2.95Å
635	L	91.1	Very high	88.8	Confident	7 Å²	7	51 Å²	51	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-74.5	-23	172.8	-60.6	-168	0	0	0	111.7	L631 Y632 Q633 D637 L638 K651 R654 L788	L631-L635 HydrophobicContact CD1-CD2 4.39Å; L631-L635 WeakPolarHBondContact O-CG 3.32Å; L631-L635 PolarHBondContact O-N 3.03Å; Y632-L635 HydrophobicContact CD1-CD1 3.92Å; Y632-L635 WeakPolarHBondContact O-CB 3.36Å; Y632-L635 PolarHBondContact O-N 3.17Å; Y632-L635 VanDerWaalsContact O-N 3.08Å; Q633-L635 PolarHBondContact O-N 2.91Å; L635-D637 VanDerWaalsContact C-N 3.26Å; L635-D637 PolarHBondContact O-N 3.22Å; L635-L638 WeakPolarHBondContact O-CB 2.95Å; L635-L638 PolarHBondContact O-N 3.49Å; L635-K651 HydrophobicContact CB-CG 4.18Å; L635-K651 HydrophobicContact CD1-CB 4.29Å; L635-K651 HydrophobicContact CD2-CB 4.49Å; L635-K651 WeakPolarHBondContact O-CE 3.36Å; L635-R654 HydrophobicContact CD2-CB 3.74Å; L635-R654 HydrophobicContact CD2-CG 3.89Å; L635-L788 HydrophobicContact CD1-CD2 3.67Å
636	A	84.6	Confident	88.6	Confident	47 Å²	47	50.9 Å²	50.9	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-28.7	179.3	0	0	0	0	0	112.6	Y632 Q633 S634 L638 N639	Y632-A636 PolarHBondContact O-N 3.36Å; Q633-A636 VanDerWaalsContact O-CB 3.22Å; Q633-A636 WeakPolarHBondContact O-CB 2.88Å; Q633-A636 PolarHBondContact O-N 3.09Å; Q633-A636 VanDerWaalsContact O-N 3.07Å; S634-A636 VanDerWaalsContact C-N 3.3Å; A636-L638 PolarHBondContact O-N 3.33Å; A636-L638 VanDerWaalsContact O-N 3.08Å; A636-N639 WeakPolarHBondContact O-CB 3.18Å; A636-N639 PolarHBondContact O-N 2.9Å; A636-N639 PolarHBondContact O-ND2 3.36Å
637	D	86.9	Confident	88.5	Confident	108 Å²	108	52 Å²	52	58%	0.578	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-56	-27.6	174.9	-64.6	-25	0	0	0	112.8	L635 N639	L635-D637 VanDerWaalsContact C-N 3.26Å; L635-D637 PolarHBondContact O-N 3.22Å; D637-N639 VanDerWaalsContact C-N 3.28Å; D637-N639 PolarHBondContact O-N 3.24Å
638	L	88.6	Confident	88.5	Confident	34 Å²	34	47.3 Å²	47.3	18%	0.178	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-81.9	-5.1	-179.3	-60	172.7	0	0	0	112.9	L635 A636 N640 V641 R647 M650 K651	L635-L638 WeakPolarHBondContact O-CB 2.95Å; L635-L638 PolarHBondContact O-N 3.49Å; A636-L638 PolarHBondContact O-N 3.33Å; A636-L638 VanDerWaalsContact O-N 3.08Å; L638-N640 PolarHBondContact O-N 3.01Å; L638-N640 VanDerWaalsContact O-N 3.13Å; L638-V641 WeakPolarHBondContact O-CB 3.45Å; L638-V641 WeakPolarHBondContact O-CG2 3.12Å; L638-V641 PolarHBondContact O-N 3.48Å; L638-R647 WeakPolarHBondContact O-CD 3.32Å; L638-R647 WeakPolarHBondContact O-CG 3.45Å; L638-M650 HydrophobicContact CD1-CB 3.96Å; L638-M650 HydrophobicContact CD2-CB 4.42Å; L638-K651 HydrophobicContact CB-CG 4.11Å; L638-K651 HydrophobicContact CD1-CB 4.39Å; L638-K651 HydrophobicContact CD1-CG 3.81Å
639	N	86.4	Confident	88.5	Confident	81 Å²	81	47.3 Å²	47.3	43%	0.433	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-61	-23.4	179.2	-70.7	-18.6	0	0	0	113.2	A636 D637 V641 K651	A636-N639 WeakPolarHBondContact O-CB 3.18Å; A636-N639 PolarHBondContact O-N 2.9Å; A636-N639 PolarHBondContact O-ND2 3.36Å; D637-N639 VanDerWaalsContact C-N 3.28Å; D637-N639 PolarHBondContact O-N 3.24Å; N639-V641 PolarHBondContact O-N 3.1Å; N639-K651 VanDerWaalsContact OD1-CE 3.23Å; N639-K651 WeakPolarHBondContact OD1-CE 3.41Å; N639-K651 PolarHBondContact OD1-NZ 2.89Å
640	N	81.7	Confident	88.6	Confident	140 Å²	140	47.5 Å²	47.5	75%	0.749	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-71.6	-9.4	176.7	-65.7	-41.4	0	0	0	114.3	L638 R642	L638-N640 PolarHBondContact O-N 3.01Å; L638-N640 VanDerWaalsContact O-N 3.13Å; N640-R642 PolarHBondContact O-N 3.33Å
641	V	86.3	Confident	88.8	Confident	15 Å²	15	42.3 Å²	42.3	9%	0.091	21%	0.214	C	C	.	.			trans	-72.4	114.8	174.4	176.1	0	0	0	0	108.9	L638 N639 F643 R647 M650 F882	L638-V641 WeakPolarHBondContact O-CB 3.45Å; L638-V641 WeakPolarHBondContact O-CG2 3.12Å; L638-V641 PolarHBondContact O-N 3.48Å; N639-V641 PolarHBondContact O-N 3.1Å; V641-F643 VanDerWaalsContact C-N 3.31Å; V641-F643 PolarHBondContact O-N 3.2Å; V641-R647 HydrophobicContact CB-CB 3.91Å; V641-R647 HydrophobicContact CB-CG 4.28Å; V641-R647 HydrophobicContact CG1-CB 3.98Å; V641-R647 PolarHBondContact O-NH1 2.81Å; V641-M650 HydrophobicContact CG2-SD 4.16Å; V641-F882 HydrophobicContact CG1-CB 4.08Å; V641-F882 HydrophobicContact CG1-CD2 4.25Å; V641-F882 HydrophobicContact CG1-CG 4.04Å; V641-F882 HydrophobicContact CG2-CB 4.48Å; V641-F882 HydrophobicContact CG2-CD2 4.4Å
642	R	82.3	Confident	88.9	Confident	168 Å²	168	41.5 Å²	41.5	63%	0.634	21%	0.21	S	C	*	.	S	Bend	trans	-62.1	-35.1	-173.7	-174.5	179.1	178.8	172.4	3.8	113.8	N640 F882	N640-R642 PolarHBondContact O-N 3.33Å; R642-F882 VanDerWaalsContact CB-O 3.26Å; R642-F882 WeakPolarHBondContact CB-O 3.45Å; R642-F882 PolarHBondContact N-O 3.08Å
643	F	83.8	Confident	89.2	Confident	13 Å²	13	42.1 Å²	42.1	6%	0.057	21%	0.212	C	C	.	.			trans	-92.9	116.3	-175.3	-57.6	-72.4	0	0	0	110.7	V641 A645 Y646 R647 F881 F882 L935	V641-F643 VanDerWaalsContact C-N 3.31Å; V641-F643 PolarHBondContact O-N 3.2Å; F643-A645 PolarHBondContact O-N 3.43Å; F643-Y646 HydrophobicContact CB-CD2 3.76Å; F643-Y646 HydrophobicContact CG-CD2 4.42Å; F643-Y646 PolarHBondContact O-N 3.15Å; F643-R647 WeakPolarHBondContact O-CB 3.3Å; F643-R647 PolarHBondContact O-N 2.93Å; F643-F881 HydrophobicContact CD2-CD1 4.21Å; F643-F881 AromaticContact CD2-CE1 3.91Å; F643-F881 HydrophobicContact CD2-CE1 3.91Å; F643-F881 AromaticContact CE2-CD1 3.77Å; F643-F881 HydrophobicContact CE2-CD1 3.77Å; F643-F881 AromaticContact CE2-CE1 3.5Å; F643-F881 HydrophobicContact CE2-CE1 3.5Å; F643-F881 VanDerWaalsContact CE2-CE1 3.5Å; F643-F881 HydrophobicContact CE2-CE2 4.42Å; F643-F881 HydrophobicContact CE2-CG 4.35Å; F643-F881 AromaticContact CE2-CZ 3.86Å; F643-F881 HydrophobicContact CE2-CZ 3.86Å; F643-F881 WeakPolarHBondContact CE2-O 3.37Å; F643-F881 HydrophobicContact CZ-CE1 4.08Å; F643-F881 HydrophobicContact CZ-CE2 4.46Å; F643-F881 AromaticContact CZ-CZ 3.97Å; F643-F881 HydrophobicContact CZ-CZ 3.97Å; F643-F882 HydrophobicContact CD2-CD1 4.31Å; F643-L935 HydrophobicContact CD1-CD2 4.13Å; F643-L935 HydrophobicContact CE1-CD2 3.56Å; F643-L935 HydrophobicContact CZ-CD2 4.38Å
644	S	85.8	Confident	89.5	Confident	17 Å²	17	41.8 Å²	41.8	12%	0.119	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-42.2	-174.7	50.7	0	0	0	0	113.9	Y646 R647 T648 S793	S644-Y646 PolarHBondContact O-N 3.23Å; S644-R647 PolarHBondContact O-N 2.83Å; S644-T648 WeakPolarHBondContact O-CB 3.41Å; S644-T648 PolarHBondContact O-N 3.46Å; S644-T648 PolarHBondContact O-OG1 3.38Å; S644-S793 WeakPolarHBondContact CB-OG 3.22Å; S644-S793 WeakPolarHBondContact OG-CB 3.44Å
645	A	86.3	Confident	89.7	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-42.8	178.9	0	0	0	0	0	112.6	F643 A649 F794 V833 V837	F643-A645 PolarHBondContact O-N 3.43Å; A645-A649 VanDerWaalsContact O-CB 3.23Å; A645-A649 WeakPolarHBondContact O-CB 3.37Å; A645-A649 PolarHBondContact O-N 2.97Å; A645-A649 VanDerWaalsContact O-N 3.08Å; A645-F794 HydrophobicContact CB-CE1 4.39Å; A645-V833 HydrophobicContact CB-CG1 4.49Å; A645-V837 HydrophobicContact CB-CG2 4.13Å
646	Y	89.9	Confident	89.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.8	-40.3	175.6	-69.7	-81.5	0	0	0	112.2	F643 S644 A649 M650 V837 F864 Y866 F882 E898 Y934	F643-Y646 HydrophobicContact CB-CD2 3.76Å; F643-Y646 HydrophobicContact CG-CD2 4.42Å; F643-Y646 PolarHBondContact O-N 3.15Å; S644-Y646 PolarHBondContact O-N 3.23Å; Y646-A649 PolarHBondContact O-N 2.9Å; Y646-M650 WeakPolarHBondContact O-CB 3.4Å; Y646-M650 VanDerWaalsContact O-CG 3.24Å; Y646-M650 WeakPolarHBondContact O-CG 3.44Å; Y646-M650 PolarHBondContact O-N 2.95Å; Y646-V837 HydrophobicContact CD1-CG1 3.68Å; Y646-V837 HydrophobicContact CE1-CG1 3.91Å; Y646-V837 HydrophobicContact CG-CG1 4.13Å; Y646-F864 HydrophobicContact CD1-CE2 4.29Å; Y646-F864 HydrophobicContact CD1-CZ 4.3Å; Y646-F864 HydrophobicContact CE1-CE1 4.14Å; Y646-F864 HydrophobicContact CE1-CE2 4.21Å; Y646-F864 AromaticContact CE1-CZ 3.87Å; Y646-F864 HydrophobicContact CE1-CZ 3.87Å; Y646-Y866 WeakPolarHBondContact CE1-OH 3.2Å; Y646-F882 AromaticContact CD1-CE1 3.53Å; Y646-F882 HydrophobicContact CD1-CE1 3.53Å; Y646-F882 AromaticContact CD1-CZ 3.4Å; Y646-F882 HydrophobicContact CD1-CZ 3.4Å; Y646-F882 AromaticContact CD2-CE1 3.92Å; Y646-F882 HydrophobicContact CD2-CE1 3.92Å; Y646-F882 HydrophobicContact CE1-CE1 4.04Å; Y646-F882 HydrophobicContact CE1-CZ 4.09Å; Y646-F882 HydrophobicContact CE2-CE1 4.4Å; Y646-F882 HydrophobicContact CG-CD1 4.34Å; Y646-F882 AromaticContact CG-CE1 3.47Å; Y646-F882 HydrophobicContact CG-CE1 3.47Å; Y646-F882 VanDerWaalsContact CG-CE1 3.47Å; Y646-F882 AromaticContact CG-CZ 3.68Å; Y646-F882 HydrophobicContact CG-CZ 3.68Å; Y646-E898 VanDerWaalsContact CE1-OE2 3.28Å; Y646-E898 WeakPolarHBondContact CE1-OE2 3.37Å; Y646-E898 PolarHBondContact OH-OE1 3.23Å; Y646-E898 PolarHBondContact OH-OE2 3.5Å; Y646-Y934 AromaticContact CE2-CD2 3.86Å; Y646-Y934 HydrophobicContact CE2-CD2 3.86Å; Y646-Y934 HydrophobicContact CE2-CE2 4.44Å; Y646-Y934 AromaticContact CE2-CG 3.94Å; Y646-Y934 HydrophobicContact CE2-CG 3.94Å
647	R	92.6	Very high	90.4	Very high	37 Å²	37	42.9 Å²	42.9	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-57.2	-52.2	176.9	-178	171.4	60.4	-116.2	3.7	111.2	L638 V641 F643 S644 A649 M650 K651 E790	L638-R647 WeakPolarHBondContact O-CD 3.32Å; L638-R647 WeakPolarHBondContact O-CG 3.45Å; V641-R647 HydrophobicContact CB-CB 3.91Å; V641-R647 HydrophobicContact CB-CG 4.28Å; V641-R647 HydrophobicContact CG1-CB 3.98Å; V641-R647 PolarHBondContact O-NH1 2.81Å; F643-R647 WeakPolarHBondContact O-CB 3.3Å; F643-R647 PolarHBondContact O-N 2.93Å; S644-R647 PolarHBondContact O-N 2.83Å; R647-A649 PolarHBondContact O-N 3.38Å; R647-M650 PolarHBondContact O-N 3.24Å; R647-K651 HydrophobicContact CG-CD 4.47Å; R647-K651 WeakPolarHBondContact O-CG 3.38Å; R647-K651 PolarHBondContact O-N 2.92Å; R647-E790 WeakPolarHBondContact CD-OE1 3.44Å; R647-E790 IonicContact CZ-OE1 3.36Å; R647-E790 IonicContact CZ-OE2 3.51Å; R647-E790 VanDerWaalsContact NE-CD 3.3Å; R647-E790 IonicContact NE-OE1 2.75Å; R647-E790 PolarHBondContact NE-OE1 3.47Å; R647-E790 IonicContact NE-OE2 3.14Å; R647-E790 PolarHBondContact NE-OE2 2.86Å; R647-E790 VanDerWaalsContact NE-OE2 3.14Å; R647-E790 IonicContact NH2-OE1 2.71Å; R647-E790 IonicContact NH2-OE2 3.63Å; R647-E790 PolarHBondContact NH2-OE2 3.43Å
648	T	93.1	Very high	90.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-45.7	177	-55.7	0	0	0	0	111.5	S644 M650 K651 L652 P785 L788 E790 F794 W834	S644-T648 WeakPolarHBondContact O-CB 3.41Å; S644-T648 PolarHBondContact O-N 3.46Å; S644-T648 PolarHBondContact O-OG1 3.38Å; T648-M650 PolarHBondContact O-N 2.82Å; T648-K651 PolarHBondContact O-N 2.66Å; T648-L652 HydrophobicContact CG2-CD1 4.06Å; T648-L652 HydrophobicContact CG2-CG 4.49Å; T648-L652 WeakPolarHBondContact O-CB 3.45Å; T648-L652 WeakPolarHBondContact O-CG 3.33Å; T648-L652 PolarHBondContact O-N 3.48Å; T648-P785 HydrophobicContact CG2-CB 3.96Å; T648-L788 HydrophobicContact CG2-CD1 4.4Å; T648-E790 HydrophobicContact CG2-CB 4.35Å; T648-E790 VanDerWaalsContact OG1-CB 3.29Å; T648-E790 WeakPolarHBondContact OG1-CB 3.36Å; T648-E790 WeakPolarHBondContact OG1-CG 3.31Å; T648-F794 HydrophobicContact CG2-CE2 3.87Å; T648-F794 HydrophobicContact CG2-CZ 4.01Å; T648-F794 WeakPolarHBondContact OG1-CE2 3.19Å; T648-F794 WeakPolarHBondContact OG1-CZ 3.4Å; T648-W834 HydrophobicContact CG2-CB 4.04Å
649	A	93.3	Very high	91.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-40.2	177.8	0	0	0	0	0	113	A645 Y646 R647 L652 R653 V837 L838 V841	A645-A649 VanDerWaalsContact O-CB 3.23Å; A645-A649 WeakPolarHBondContact O-CB 3.37Å; A645-A649 PolarHBondContact O-N 2.97Å; A645-A649 VanDerWaalsContact O-N 3.08Å; Y646-A649 PolarHBondContact O-N 2.9Å; R647-A649 PolarHBondContact O-N 3.38Å; A649-L652 PolarHBondContact O-N 2.93Å; A649-R653 WeakPolarHBondContact O-CB 3.46Å; A649-R653 PolarHBondContact O-N 3.25Å; A649-V837 HydrophobicContact CB-CB 3.96Å; A649-V837 HydrophobicContact CB-CG1 3.53Å; A649-L838 HydrophobicContact CB-CB 4.24Å; A649-L838 WeakPolarHBondContact O-CD1 3.44Å; A649-V841 HydrophobicContact CB-CG2 3.85Å
650	M	92.5	Very high	91.5	Very high	32 Å²	32	35.1 Å²	35.1	16%	0.158	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-40.9	176.2	-71.2	-178.9	119.8	0	0	112.1	L638 V641 Y646 R647 T648 R653 R654 V841 F882	L638-M650 HydrophobicContact CD1-CB 3.96Å; L638-M650 HydrophobicContact CD2-CB 4.42Å; V641-M650 HydrophobicContact CG2-SD 4.16Å; Y646-M650 WeakPolarHBondContact O-CB 3.4Å; Y646-M650 VanDerWaalsContact O-CG 3.24Å; Y646-M650 WeakPolarHBondContact O-CG 3.44Å; Y646-M650 PolarHBondContact O-N 2.95Å; R647-M650 PolarHBondContact O-N 3.24Å; T648-M650 PolarHBondContact O-N 2.82Å; M650-R653 PolarHBondContact O-N 2.95Å; M650-R654 PolarHBondContact O-N 3.31Å; M650-V841 HydrophobicContact CG-CG1 4.15Å; M650-V841 HydrophobicContact CG-CG2 4.19Å; M650-F882 HydrophobicContact CE-CD2 4.14Å; M650-F882 HydrophobicContact CE-CE2 3.6Å; M650-F882 HydrophobicContact SD-CD2 3.91Å; M650-F882 HydrophobicContact SD-CE2 3.55Å; M650-F882 VanDerWaalsContact SD-CE2 3.55Å
651	K	95.6	Very high	92.2	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-48.4	172.9	-74.2	179.4	175.7	177.1	0	110.9	L635 L638 N639 R647 T648 R653 R654 L655 L788 E790	L635-K651 HydrophobicContact CB-CG 4.18Å; L635-K651 HydrophobicContact CD1-CB 4.29Å; L635-K651 HydrophobicContact CD2-CB 4.49Å; L635-K651 WeakPolarHBondContact O-CE 3.36Å; L638-K651 HydrophobicContact CB-CG 4.11Å; L638-K651 HydrophobicContact CD1-CB 4.39Å; L638-K651 HydrophobicContact CD1-CG 3.81Å; N639-K651 VanDerWaalsContact OD1-CE 3.23Å; N639-K651 WeakPolarHBondContact OD1-CE 3.41Å; N639-K651 PolarHBondContact OD1-NZ 2.89Å; R647-K651 HydrophobicContact CG-CD 4.47Å; R647-K651 WeakPolarHBondContact O-CG 3.38Å; R647-K651 PolarHBondContact O-N 2.92Å; T648-K651 PolarHBondContact O-N 2.66Å; K651-R653 VanDerWaalsContact C-N 3.32Å; K651-R653 PolarHBondContact O-N 3.29Å; K651-R654 PolarHBondContact O-N 2.93Å; K651-L655 PolarHBondContact O-N 2.99Å; K651-L788 HydrophobicContact CB-CD1 3.91Å; K651-E790 IonicContact NZ-OE1 3.73Å; K651-E790 PolarHBondContact NZ-OE1 3.49Å
652	L	95.6	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-36.4	176.3	-72.3	173	0	0	0	112.5	T648 A649 L655 Q656 L746 I784 L788 W834 L838	T648-L652 HydrophobicContact CG2-CD1 4.06Å; T648-L652 HydrophobicContact CG2-CG 4.49Å; T648-L652 WeakPolarHBondContact O-CB 3.45Å; T648-L652 WeakPolarHBondContact O-CG 3.33Å; T648-L652 PolarHBondContact O-N 3.48Å; A649-L652 PolarHBondContact O-N 2.93Å; L652-L655 HydrophobicContact CD2-CD2 4.22Å; L652-L655 PolarHBondContact O-N 2.84Å; L652-Q656 WeakPolarHBondContact O-CB 3.35Å; L652-Q656 PolarHBondContact O-N 3.35Å; L652-L746 HydrophobicContact CD2-CD2 4.43Å; L652-I784 HydrophobicContact CD1-CG2 4.15Å; L652-I784 HydrophobicContact CD2-CG2 3.44Å; L652-I784 VanDerWaalsContact CD2-CG2 3.44Å; L652-I784 HydrophobicContact CG-CG2 4.45Å; L652-L788 HydrophobicContact CD2-CD1 3.52Å; L652-L788 HydrophobicContact CG-CD1 3.63Å; L652-W834 HydrophobicContact CD1-CD2 4.26Å; L652-W834 HydrophobicContact CD1-CE3 3.38Å; L652-W834 HydrophobicContact CD1-CZ3 3.81Å; L652-L838 HydrophobicContact CB-CD1 4.11Å; L652-L838 HydrophobicContact CB-CD2 4.23Å
653	R	95.3	Very high	93.2	Very high	32 Å²	32	23.3 Å²	23.3	12%	0.121	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-40	176.3	-176.1	56.9	175.2	160.8	3.2	112.2	A649 M650 K651 Q656 K657 L838 V841 E845	A649-R653 WeakPolarHBondContact O-CB 3.46Å; A649-R653 PolarHBondContact O-N 3.25Å; M650-R653 PolarHBondContact O-N 2.95Å; K651-R653 VanDerWaalsContact C-N 3.32Å; K651-R653 PolarHBondContact O-N 3.29Å; R653-Q656 PolarHBondContact O-N 3.12Å; R653-K657 VanDerWaalsContact NH2-CE 3.34Å; R653-K657 PolarHBondContact O-N 3.44Å; R653-L838 HydrophobicContact CB-CD1 3.74Å; R653-V841 HydrophobicContact CB-CG1 4.13Å; R653-V841 HydrophobicContact CG-CG1 4.13Å; R653-E845 WeakPolarHBondContact CG-OE1 3.42Å; R653-E845 IonicContact CZ-OE2 3.94Å; R653-E845 VanDerWaalsContact NE-CD 3.34Å; R653-E845 IonicContact NE-OE1 3.56Å; R653-E845 PolarHBondContact NE-OE1 3.27Å; R653-E845 VanDerWaalsContact NE-OE1 3.07Å; R653-E845 IonicContact NE-OE2 3.49Å; R653-E845 PolarHBondContact NE-OE2 3.28Å; R653-E845 VanDerWaalsContact NE-OE2 3.09Å; R653-E845 IonicContact NH2-OE2 3.86Å; R653-E845 PolarHBondContact NH2-OE2 2.92Å
654	R	95.7	Very high	93.7	Very high	110 Å²	110	22.9 Å²	22.9	42%	0.415	11%	0.112	S	C	.	.	H	α-helix	trans	-67.5	-42	176.3	-170.3	163.7	-176.3	169	7.4	111.3	L631 S634 L635 M650 K651 A658	L631-R654 HydrophobicContact CD1-CG 4.16Å; S634-R654 PolarHBondContact O-NH1 3.13Å; S634-R654 VanDerWaalsContact OG-CZ 3.25Å; S634-R654 PolarHBondContact OG-NE 3.07Å; S634-R654 VanDerWaalsContact OG-NE 3.15Å; S634-R654 PolarHBondContact OG-NH2 2.95Å; L635-R654 HydrophobicContact CD2-CB 3.74Å; L635-R654 HydrophobicContact CD2-CG 3.89Å; M650-R654 PolarHBondContact O-N 3.31Å; K651-R654 PolarHBondContact O-N 2.93Å; R654-A658 PolarHBondContact O-N 2.88Å; R654-A658 VanDerWaalsContact O-N 3.14Å
655	L	95.4	Very high	94.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-47	172.4	177.1	70.3	0	0	0	112.4	M628 L631 K651 L652 K657 A658 L659 W721 L746	M628-L655 HydrophobicContact SD-CD1 4.35Å; L631-L655 HydrophobicContact CD2-CD1 3.6Å; K651-L655 PolarHBondContact O-N 2.99Å; L652-L655 HydrophobicContact CD2-CD2 4.22Å; L652-L655 PolarHBondContact O-N 2.84Å; L655-K657 VanDerWaalsContact C-N 3.27Å; L655-K657 PolarHBondContact O-N 3.46Å; L655-A658 PolarHBondContact O-N 3.35Å; L655-A658 VanDerWaalsContact O-N 3.14Å; L655-L659 HydrophobicContact CD1-CD1 3.85Å; L655-L659 HydrophobicContact CD1-CG 4.08Å; L655-L659 HydrophobicContact CG-CD1 4Å; L655-L659 HydrophobicContact CG-CG 4.44Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 3.31Å; L655-W721 HydrophobicContact CD1-CG 4.4Å; L655-W721 HydrophobicContact CD2-CD2 4.45Å; L655-W721 HydrophobicContact CD2-CG 4.39Å; L655-W721 HydrophobicContact CD2-CZ2 4.34Å; L655-W721 VanDerWaalsContact CD2-NE1 3.28Å; L655-L746 HydrophobicContact CD2-CD1 4.32Å
656	Q	95.8	Very high	94.6	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.047	13%	0.126	C	C	.	.	H	α-helix	trans	-54.6	-42.7	179.9	-170.2	-167.9	18.3	0	0	111.9	L652 R653 C660 L661 D662 L746	L652-Q656 WeakPolarHBondContact O-CB 3.35Å; L652-Q656 PolarHBondContact O-N 3.35Å; R653-Q656 PolarHBondContact O-N 3.12Å; Q656-C660 PolarHBondContact O-N 3.1Å; Q656-L661 HydrophobicContact CG-CB 4.35Å; Q656-L661 PolarHBondContact O-N 2.91Å; Q656-D662 HydrophobicContact CG-CB 3.87Å; Q656-L746 HydrophobicContact CG-CB 4.24Å; Q656-L746 VanDerWaalsContact CG-O 3.25Å; Q656-L746 WeakPolarHBondContact CG-O 3.34Å; Q656-L746 PolarHBondContact NE2-O 3Å
657	K	94.6	Very high	94.8	Very high	89 Å²	89	28.9 Å²	28.9	39%	0.387	15%	0.151	S	C	.	.	H	α-helix	trans	-69.5	-42.8	176.2	-75.2	179	172.3	168.8	0	113.1	R653 L655 L659 C660 D662 E845	R653-K657 VanDerWaalsContact NH2-CE 3.34Å; R653-K657 PolarHBondContact O-N 3.44Å; L655-K657 VanDerWaalsContact C-N 3.27Å; L655-K657 PolarHBondContact O-N 3.46Å; K657-L659 PolarHBondContact O-N 2.94Å; K657-C660 PolarHBondContact O-N 3.08Å; K657-D662 WeakPolarHBondContact CA-OD1 3.28Å; K657-E845 IonicContact NZ-OE1 3.36Å; K657-E845 PolarHBondContact NZ-OE1 3.49Å; K657-E845 IonicContact NZ-OE2 3.79Å; K657-E845 PolarHBondContact NZ-OE2 3.16Å
658	A	94.9	Very high	94.9	Very high	45 Å²	45	27.9 Å²	27.9	37%	0.372	15%	0.151	S	C	.	.	H	α-helix	trans	-65.2	-30.3	179.3	0	0	0	0	0	112.7	L631 R654 L655 C660	L631-A658 HydrophobicContact CD1-CB 3.81Å; L631-A658 HydrophobicContact CD2-CB 3.54Å; L631-A658 HydrophobicContact CG-CB 4.31Å; R654-A658 PolarHBondContact O-N 2.88Å; R654-A658 VanDerWaalsContact O-N 3.14Å; L655-A658 PolarHBondContact O-N 3.35Å; L655-A658 VanDerWaalsContact O-N 3.14Å; A658-C660 VanDerWaalsContact C-N 3.34Å
659	L	95.4	Very high	94.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.7	173.6	-60	-178.7	0	0	0	113.2	M628 L655 K657 L661 Y698 M717 W721	M628-L659 HydrophobicContact CE-CD2 4.29Å; L655-L659 HydrophobicContact CD1-CD1 3.85Å; L655-L659 HydrophobicContact CD1-CG 4.08Å; L655-L659 HydrophobicContact CG-CD1 4Å; L655-L659 HydrophobicContact CG-CG 4.44Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 3.31Å; K657-L659 PolarHBondContact O-N 2.94Å; L659-L661 HydrophobicContact CB-CD1 4.11Å; L659-L661 HydrophobicContact CB-CG 3.95Å; L659-L661 HydrophobicContact CD1-CD1 4.11Å; L659-L661 PolarHBondContact O-N 2.96Å; L659-Y698 WeakPolarHBondContact O-CE1 3.38Å; L659-Y698 PolarHBondContact O-OH 3.05Å; L659-M717 HydrophobicContact CD2-CB 3.9Å; L659-M717 HydrophobicContact CD2-CE 4.39Å; L659-W721 HydrophobicContact CD1-CB 3.93Å; L659-W721 HydrophobicContact CD1-CD2 3.8Å; L659-W721 HydrophobicContact CD1-CE3 3.85Å; L659-W721 HydrophobicContact CD1-CG 3.82Å
660	C	95.9	Very high	94.9	Very high	15 Å²	15	29.3 Å²	29.3	10%	0.101	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	18.4	-174.3	-52.1	0	0	0	0	114.8	Q656 K657 A658 D662 L663 Y698	Q656-C660 PolarHBondContact O-N 3.1Å; K657-C660 PolarHBondContact O-N 3.08Å; A658-C660 VanDerWaalsContact C-N 3.34Å; C660-D662 PolarHBondContact O-N 2.85Å; C660-L663 HydrophobicContact CB-CD1 4.36Å; C660-L663 WeakPolarHBondContact O-CB 3.28Å; C660-L663 PolarHBondContact O-N 3.27Å; C660-Y698 HydrophobicContact CB-CE1 4.22Å
661	L	95.8	Very high	95	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.9	179	-67.1	176.6	0	0	0	112.1	Q656 L659 L663 L664 W721 I743 L746 C747	Q656-L661 HydrophobicContact CG-CB 4.35Å; Q656-L661 PolarHBondContact O-N 2.91Å; L659-L661 HydrophobicContact CB-CD1 4.11Å; L659-L661 HydrophobicContact CB-CG 3.95Å; L659-L661 HydrophobicContact CD1-CD1 4.11Å; L659-L661 PolarHBondContact O-N 2.96Å; L661-L663 PolarHBondContact O-N 3.44Å; L661-L664 HydrophobicContact CD2-CD2 3.9Å; L661-L664 PolarHBondContact O-N 2.84Å; L661-W721 HydrophobicContact CD1-CZ3 4.46Å; L661-I743 HydrophobicContact CD1-CD1 4.44Å; L661-I743 HydrophobicContact CD2-CD1 4.22Å; L661-L746 CarbonylContact C-O 3.58Å; L661-L746 HydrophobicContact CB-CB 4.13Å; L661-L746 HydrophobicContact CD1-CB 3.77Å; L661-L746 HydrophobicContact CD1-CD1 4.09Å; L661-C747 WeakPolarHBondContact O-CA 3.3Å
662	D	94.6	Very high	94.8	Very high	32 Å²	32	31.1 Å²	31.1	17%	0.171	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.7	171.1	68.2	-49	0	0	0	113.6	Q656 K657 C660 K748	Q656-D662 HydrophobicContact CG-CB 3.87Å; K657-D662 WeakPolarHBondContact CA-OD1 3.28Å; C660-D662 PolarHBondContact O-N 2.85Å; D662-K748 WeakPolarHBondContact O-CB 3.3Å; D662-K748 WeakPolarHBondContact O-CD 3.46Å
663	L	94.8	Very high	94.7	Very high	42 Å²	42	31.3 Å²	31.3	22%	0.22	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-28.7	171.1	-56	-179.7	0	0	0	112	C660 L661 S665 L701 H705	C660-L663 HydrophobicContact CB-CD1 4.36Å; C660-L663 WeakPolarHBondContact O-CB 3.28Å; C660-L663 PolarHBondContact O-N 3.27Å; L661-L663 PolarHBondContact O-N 3.44Å; L663-S665 PolarHBondContact O-N 3.31Å; L663-L701 HydrophobicContact CB-CD2 4.28Å; L663-H705 HydrophobicContact CD1-CB 4.4Å
664	L	95.8	Very high	94.5	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.189	C	C	.	.			trans	-69	114.7	-176.7	-179	60.7	0	0	0	112.6	L661 A668 A669 I697 L701 I743 C747 K748	L661-L664 HydrophobicContact CD2-CD2 3.9Å; L661-L664 PolarHBondContact O-N 2.84Å; L664-A668 HydrophobicContact CD1-CB 4.06Å; L664-A669 HydrophobicContact CD1-CB 4.24Å; L664-A669 HydrophobicContact CD2-CB 3.96Å; L664-A669 HydrophobicContact CG-CB 4.07Å; L664-I697 HydrophobicContact CD1-CG2 3.84Å; L664-I697 HydrophobicContact CD2-CG2 3.99Å; L664-L701 HydrophobicContact CB-CD1 4.36Å; L664-L701 HydrophobicContact CD1-CD2 4.48Å; L664-I743 HydrophobicContact CD2-CG2 3.74Å; L664-C747 HydrophobicContact CD2-CB 4.44Å; L664-C747 HydrophobicContact CG-CB 4.37Å; L664-C747 WeakPolarHBondContact O-CB 3.21Å; L664-K748 WeakPolarHBondContact O-CB 3.26Å; L664-K748 PolarHBondContact O-N 3.16Å
665	S	95.9	Very high	94.3	Very high	39 Å²	39	34.3 Å²	34.3	27%	0.273	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-73.9	153.2	173.1	71.7	0	0	0	0	112.5	L663 S667 A668 A669	L663-S665 PolarHBondContact O-N 3.31Å; S665-S667 VanDerWaalsContact C-N 3.28Å; S665-S667 PolarHBondContact O-N 3.05Å; S665-S667 PolarHBondContact OG-OG 3.37Å; S665-A668 PolarHBondContact O-N 2.91Å; S665-A668 VanDerWaalsContact OG-CB 3.28Å; S665-A668 WeakPolarHBondContact OG-CB 3.4Å; S665-A668 PolarHBondContact OG-N 3.38Å; S665-A669 WeakPolarHBondContact O-CB 3.21Å; S665-A669 PolarHBondContact O-N 3.02Å
666	L	94.7	Very high	94.1	Very high	30 Å²	30	37.2 Å²	37.2	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-37	175.5	177.8	61.4	0	0	0	112.6	C670 I744 K748 A749 D753 Y757	L666-C670 PolarHBondContact O-N 3.34Å; L666-C670 PolarHBondContact O-SG 3.12Å; L666-I744 HydrophobicContact CD1-CD1 3.69Å; L666-I744 HydrophobicContact CD1-CG2 4.01Å; L666-K748 PolarHBondContact N-O 2.9Å; L666-A749 HydrophobicContact CB-CB 3.81Å; L666-A749 HydrophobicContact CD2-CB 4.24Å; L666-D753 HydrophobicContact CD2-CB 3.81Å; L666-Y757 HydrophobicContact CD1-CD2 4.24Å; L666-Y757 HydrophobicContact CD1-CG 4.34Å
667	S	94.3	Very high	93.8	Very high	77 Å²	77	42.4 Å²	42.4	54%	0.538	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-48.5	177.5	48.1	0	0	0	0	111.6	S665 A669 C670 D671	S665-S667 VanDerWaalsContact C-N 3.28Å; S665-S667 PolarHBondContact O-N 3.05Å; S665-S667 PolarHBondContact OG-OG 3.37Å; S667-A669 VanDerWaalsContact C-N 3.3Å; S667-A669 PolarHBondContact O-N 2.97Å; S667-C670 WeakPolarHBondContact O-CB 3.34Å; S667-C670 PolarHBondContact O-N 3.08Å; S667-C670 VanDerWaalsContact O-N 3.1Å; S667-D671 VanDerWaalsContact O-CG 3.31Å; S667-D671 PolarHBondContact O-N 3.45Å
668	A	93.6	Very high	93.5	Very high	16 Å²	16	38.9 Å²	38.9	13%	0.132	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-37.3	178.9	0	0	0	0	0	112.3	L664 S665 D671 A672	L664-A668 HydrophobicContact CD1-CB 4.06Å; S665-A668 PolarHBondContact O-N 2.91Å; S665-A668 VanDerWaalsContact OG-CB 3.28Å; S665-A668 WeakPolarHBondContact OG-CB 3.4Å; S665-A668 PolarHBondContact OG-N 3.38Å; A668-D671 PolarHBondContact O-N 2.9Å; A668-A672 PolarHBondContact O-N 3.32Å; A668-A672 VanDerWaalsContact O-N 3.11Å
669	A	93.7	Very high	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-46	172.5	0	0	0	0	0	111.7	L664 S665 S667 D671 A672 L673 I743 I744	L664-A669 HydrophobicContact CD1-CB 4.24Å; L664-A669 HydrophobicContact CD2-CB 3.96Å; L664-A669 HydrophobicContact CG-CB 4.07Å; S665-A669 WeakPolarHBondContact O-CB 3.21Å; S665-A669 PolarHBondContact O-N 3.02Å; S667-A669 VanDerWaalsContact C-N 3.3Å; S667-A669 PolarHBondContact O-N 2.97Å; A669-D671 PolarHBondContact O-N 3.17Å; A669-A672 PolarHBondContact O-N 3.27Å; A669-L673 WeakPolarHBondContact O-CD1 3.36Å; A669-L673 WeakPolarHBondContact O-CG 3.15Å; A669-L673 PolarHBondContact O-N 3.27Å; A669-I743 HydrophobicContact CB-CG2 4.48Å; A669-I744 HydrophobicContact CB-CD1 3.76Å
670	C	93.8	Very high	92.5	Very high	29 Å²	29	50.2 Å²	50.2	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-45.4	176.6	-64.5	0	0	0	0	112	L666 S667 A672 L673 D674 Y757	L666-C670 PolarHBondContact O-N 3.34Å; L666-C670 PolarHBondContact O-SG 3.12Å; S667-C670 WeakPolarHBondContact O-CB 3.34Å; S667-C670 PolarHBondContact O-N 3.08Å; S667-C670 VanDerWaalsContact O-N 3.1Å; C670-A672 VanDerWaalsContact C-N 3.32Å; C670-A672 PolarHBondContact O-N 2.85Å; C670-L673 PolarHBondContact O-N 3.26Å; C670-D674 PolarHBondContact O-N 3.3Å; C670-Y757 VanDerWaalsContact SG-CE2 3.53Å
671	D	93.2	Very high	92.2	Very high	84 Å²	84	50.8 Å²	50.8	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-40.3	-178.7	-65.4	-22.6	0	0	0	112	S667 A668 A669 Q675	S667-D671 VanDerWaalsContact O-CG 3.31Å; S667-D671 PolarHBondContact O-N 3.45Å; A668-D671 PolarHBondContact O-N 2.9Å; A669-D671 PolarHBondContact O-N 3.17Å; D671-Q675 WeakPolarHBondContact O-CG 3.48Å; D671-Q675 PolarHBondContact O-N 3.44Å; D671-Q675 VanDerWaalsContact O-N 3.09Å
672	A	92.3	Very high	91.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-41.8	175.4	0	0	0	0	0	111.7	A668 A669 C670 D674 Q675 H676 T696 I697	A668-A672 PolarHBondContact O-N 3.32Å; A668-A672 VanDerWaalsContact O-N 3.11Å; A669-A672 PolarHBondContact O-N 3.27Å; C670-A672 VanDerWaalsContact C-N 3.32Å; C670-A672 PolarHBondContact O-N 2.85Å; A672-D674 VanDerWaalsContact C-N 3.33Å; A672-D674 PolarHBondContact O-N 3.29Å; A672-Q675 PolarHBondContact O-N 3.48Å; A672-H676 PolarHBondContact O-CD2 3.48Å; A672-H676 VanDerWaalsContact O-CD2 3.31Å; A672-H676 PolarHBondContact O-N 2.84Å; A672-T696 HydrophobicContact CB-CG2 4.43Å; A672-I697 HydrophobicContact CB-CD1 4.21Å; A672-I697 HydrophobicContact CB-CG1 3.45Å; A672-I697 VanDerWaalsContact CB-CG1 3.45Å
673	L	93.6	Very high	91.4	Very high	3 Å²	3	59 Å²	59	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-39.2	176.7	-68.1	167.9	0	0	0	112.2	A669 C670 N677 L678 F739 K740 Y757	A669-L673 WeakPolarHBondContact O-CD1 3.36Å; A669-L673 WeakPolarHBondContact O-CG 3.15Å; A669-L673 PolarHBondContact O-N 3.27Å; C670-L673 PolarHBondContact O-N 3.26Å; L673-N677 PolarHBondContact O-N 2.7Å; L673-L678 HydrophobicContact CD2-CD1 3.69Å; L673-L678 PolarHBondContact O-N 3.2Å; L673-L678 VanDerWaalsContact O-N 3.13Å; L673-F739 HydrophobicContact CD2-CD1 3.89Å; L673-F739 HydrophobicContact CD2-CE1 3.57Å; L673-K740 HydrophobicContact CD1-CG 4.01Å; L673-K740 HydrophobicContact CD2-CG 4.14Å; L673-Y757 WeakPolarHBondContact CD1-OH 3.39Å
674	D	90.9	Very high	91.1	Very high	90 Å²	90	60 Å²	60	48%	0.481	32%	0.318	S	S	.	.	H	α-helix	trans	-71.1	-36.5	179	-78.9	-28.5	0	0	0	112.4	C670 A672 H676 N677	C670-D674 PolarHBondContact O-N 3.3Å; A672-D674 VanDerWaalsContact C-N 3.33Å; A672-D674 PolarHBondContact O-N 3.29Å; D674-H676 VanDerWaalsContact C-N 3.27Å; D674-H676 PolarHBondContact O-N 2.88Å; D674-N677 PolarHBondContact O-N 2.88Å; D674-N677 VanDerWaalsContact O-N 3.07Å
675	Q	92.2	Very high	90.9	Very high	116 Å²	116	60 Å²	60	54%	0.542	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-33.4	175.5	-79.6	-177	-4.9	0	0	113.5	D671 A672 N677	D671-Q675 WeakPolarHBondContact O-CG 3.48Å; D671-Q675 PolarHBondContact O-N 3.44Å; D671-Q675 VanDerWaalsContact O-N 3.09Å; A672-Q675 PolarHBondContact O-N 3.48Å; Q675-N677 VanDerWaalsContact C-N 3.27Å; Q675-N677 PolarHBondContact O-N 2.97Å
676	H	91.2	Very high	90.8	Very high	60 Å²	60	61.3 Å²	61.3	28%	0.278	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	12	176.5	-72.9	-85.1	0	0	0	113	A672 D674 L678 N692 C693 T696	A672-H676 PolarHBondContact O-CD2 3.48Å; A672-H676 VanDerWaalsContact O-CD2 3.31Å; A672-H676 PolarHBondContact O-N 2.84Å; D674-H676 VanDerWaalsContact C-N 3.27Å; D674-H676 PolarHBondContact O-N 2.88Å; H676-L678 VanDerWaalsContact C-N 3.25Å; H676-L678 HydrophobicContact CB-CD1 4.24Å; H676-L678 HydrophobicContact CB-CG 4.01Å; H676-L678 PolarHBondContact O-N 3.09Å; H676-N692 PolarHBondContact CE1-O 3.15Å; H676-N692 PolarHBondContact NE2-O 3.08Å; H676-C693 HydrophobicContact CB-CB 4.42Å; H676-T696 PolarHBondContact NE2-OG1 3.33Å
677	N	89.1	Confident	90.6	Very high	119 Å²	119	60 Å²	60	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	31.4	177.5	-66.5	-59.7	0	0	0	114.8	L673 D674 Q675 K679	L673-N677 PolarHBondContact O-N 2.7Å; D674-N677 PolarHBondContact O-N 2.88Å; D674-N677 VanDerWaalsContact O-N 3.07Å; Q675-N677 VanDerWaalsContact C-N 3.27Å; Q675-N677 PolarHBondContact O-N 2.97Å; N677-K679 PolarHBondContact O-N 3.2Å
678	L	88.6	Confident	90.4	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.079	31%	0.305	C	S	.	.			trans	-80.3	58.6	-176	-58.1	179	0	0	0	112.4	L673 H676 M685 V736 F739 K740	L673-L678 HydrophobicContact CD2-CD1 3.69Å; L673-L678 PolarHBondContact O-N 3.2Å; L673-L678 VanDerWaalsContact O-N 3.13Å; H676-L678 VanDerWaalsContact C-N 3.25Å; H676-L678 HydrophobicContact CB-CD1 4.24Å; H676-L678 HydrophobicContact CB-CG 4.01Å; H676-L678 PolarHBondContact O-N 3.09Å; L678-M685 HydrophobicContact CD1-CE 3.64Å; L678-M685 HydrophobicContact CD1-SD 3.9Å; L678-M685 HydrophobicContact CD2-CE 3.96Å; L678-M685 HydrophobicContact CD2-CG 4.46Å; L678-M685 HydrophobicContact CD2-SD 3.84Å; L678-M685 HydrophobicContact CG-CE 4.45Å; L678-V736 HydrophobicContact CB-CG1 4.03Å; L678-V736 HydrophobicContact CD2-CG2 4.23Å; L678-F739 HydrophobicContact CD1-CD1 4.3Å; L678-F739 HydrophobicContact CD1-CE1 4.17Å; L678-K740 WeakPolarHBondContact O-CE 3.33Å; L678-K740 PolarHBondContact O-NZ 3.02Å
679	K	82.6	Confident	90.2	Very high	146 Å²	146	62.2 Å²	62.2	64%	0.635	32%	0.316	S	S	*	.			trans	-90.6	-31.7	-175.8	-64.8	-178.4	-177.6	173.8	0	113.6	N677	N677-K679 PolarHBondContact O-N 3.2Å
680	Q	86.8	Confident	90.2	Very high	137 Å²	137	62.2 Å²	62.2	64%	0.64	32%	0.316	S	S	*	.			trans	-89.7	114.4	-178.4	-66.3	-174.5	-3.9	0	0	111.1	Q683 V736	Q680-Q683 HydrophobicContact CB-CB 4.26Å; Q680-V736 VanDerWaalsContact O-CB 3.29Å; Q680-V736 WeakPolarHBondContact O-CB 3.47Å
681	N	88.9	Confident	90.1	Very high	28 Å²	28	60.9 Å²	60.9	15%	0.15	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.4	-170.3	-76.2	-19.1	0	0	0	114.7	L737 K740 Q761	N681-L737 HydrophobicContact CB-CB 4.07Å; N681-L737 HydrophobicContact CB-CD1 4.46Å; N681-L737 WeakPolarHBondContact O-CB 3.42Å; N681-L737 PolarHBondContact O-N 3.28Å; N681-K740 PolarHBondContact OD1-NZ 3.34Å; N681-Q761 PolarHBondContact ND2-O 2.86Å; N681-Q761 PolarHBondContact ND2-OE1 2.84Å; N681-Q761 PolarHBondContact OD1-OE1 2.92Å
682	D	84.6	Confident	90	Very high	123 Å²	123	60.4 Å²	60.4	66%	0.658	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-12	178.7	-65.2	-39.7	0	0	0	113.4
683	Q	88.7	Confident	90.1	Very high	82 Å²	82	60.4 Å²	60.4	38%	0.383	30%	0.304	S	S	.	.	S	Bend	trans	-68.7	134.6	-178.2	-172.2	-177.4	-14.4	0	0	110.9	Q680 V736	Q680-Q683 HydrophobicContact CB-CB 4.26Å; Q683-V736 HydrophobicContact CB-CG2 4.36Å; Q683-V736 WeakPolarHBondContact O-CG2 3.4Å; Q683-V736 PolarHBondContact O-N 3.42Å
684	P	89.1	Confident	90.2	Very high	64 Å²	64	60.3 Å²	60.3	42%	0.416	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.3	168.7	30.5	-33.1	0	0	0	110.3	R733	P684-R733 HydrophobicContact CB-CB 4.22Å
685	M	92.3	Very high	90.3	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.2	178.2	-160.3	174.7	164.4	0	0	108.1	L678 Q689 I690 C693 R733 I734 V736 F739	L678-M685 HydrophobicContact CD1-CE 3.64Å; L678-M685 HydrophobicContact CD1-SD 3.9Å; L678-M685 HydrophobicContact CD2-CE 3.96Å; L678-M685 HydrophobicContact CD2-CG 4.46Å; L678-M685 HydrophobicContact CD2-SD 3.84Å; L678-M685 HydrophobicContact CG-CE 4.45Å; M685-Q689 HydrophobicContact CE-CB 4.03Å; M685-Q689 WeakPolarHBondContact CE-O 3.42Å; M685-Q689 HydrophobicContact CG-CB 3.72Å; M685-I690 HydrophobicContact CB-CG1 4.29Å; M685-I690 HydrophobicContact CE-CB 4.37Å; M685-I690 HydrophobicContact CE-CG1 3.97Å; M685-I690 HydrophobicContact CG-CG1 3.88Å; M685-I690 HydrophobicContact SD-CG1 3.99Å; M685-C693 HydrophobicContact CE-CB 3.9Å; M685-R733 WeakPolarHBondContact O-CA 3.49Å; M685-I734 WeakPolarHBondContact CA-O 3.49Å; M685-I734 VanDerWaalsContact CB-O 3.24Å; M685-I734 WeakPolarHBondContact CB-O 3.39Å; M685-I734 PolarHBondContact N-O 3.49Å; M685-I734 PolarHBondContact O-N 2.98Å; M685-V736 HydrophobicContact CB-CG2 4.34Å; M685-V736 HydrophobicContact SD-CG2 4.48Å; M685-F739 HydrophobicContact CE-CE1 4.37Å; M685-F739 HydrophobicContact SD-CD1 4.13Å; M685-F739 HydrophobicContact SD-CG 4.23Å
686	D	92	Very high	90.3	Very high	67 Å²	67	53.1 Å²	53.1	36%	0.358	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	167.4	177.3	72.8	40.9	0	0	0	111.8	L688 Q689 I690	D686-L688 VanDerWaalsContact C-N 3.3Å; D686-L688 PolarHBondContact O-N 3.42Å; D686-L688 PolarHBondContact OD1-N 2.96Å; D686-Q689 WeakPolarHBondContact O-CB 3.44Å; D686-Q689 PolarHBondContact O-N 3.19Å; D686-Q689 WeakPolarHBondContact OD1-CG 3.35Å; D686-Q689 PolarHBondContact OD1-N 3.37Å; D686-I690 VanDerWaalsContact O-CG1 3.28Å; D686-I690 WeakPolarHBondContact O-CG1 3.43Å; D686-I690 PolarHBondContact O-N 3.33Å
687	I	91.2	Very high	90.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-36.5	-176.2	-72.3	168.1	0	0	0	113.1	K609 V610 I690 I691 L719 G732	K609-I687 HydrophobicContact CB-CD1 4.46Å; K609-I687 WeakPolarHBondContact O-CD1 3.36Å; V610-I687 HydrophobicContact CB-CD1 3.99Å; V610-I687 HydrophobicContact CG2-CD1 3.66Å; I687-I690 PolarHBondContact O-N 2.86Å; I687-I691 HydrophobicContact CG2-CD1 3.63Å; I687-I691 HydrophobicContact CG2-CG1 4.21Å; I687-I691 WeakPolarHBondContact O-CB 3.42Å; I687-I691 VanDerWaalsContact O-CG1 3.27Å; I687-I691 WeakPolarHBondContact O-CG1 3.36Å; I687-I691 PolarHBondContact O-N 2.79Å; I687-L719 HydrophobicContact CG2-CD2 4.12Å; I687-G732 PolarHBondContact N-O 3.01Å
688	L	89.4	Confident	90.7	Very high	65 Å²	65	44.8 Å²	44.8	34%	0.34	23%	0.228	S	C	.	.	H	α-helix	trans	-71.3	-38.6	-178.3	-171.9	63.4	0	0	0	110.6	Q590 D686 I690 I691 N692	Q590-L688 HydrophobicContact CG-CD1 4.22Å; D686-L688 VanDerWaalsContact C-N 3.3Å; D686-L688 PolarHBondContact O-N 3.42Å; D686-L688 PolarHBondContact OD1-N 2.96Å; L688-I690 VanDerWaalsContact C-N 3.3Å; L688-I690 PolarHBondContact O-N 2.98Å; L688-I691 PolarHBondContact O-N 2.92Å; L688-N692 WeakPolarHBondContact O-CB 3.47Å; L688-N692 PolarHBondContact O-N 3.46Å; L688-N692 PolarHBondContact O-ND2 3.38Å
689	Q	90.7	Very high	90.8	Very high	76 Å²	76	47.1 Å²	47.1	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-41.5	170.8	-68.5	174.3	-33.2	0	0	111.2	M685 D686 C693	M685-Q689 HydrophobicContact CE-CB 4.03Å; M685-Q689 WeakPolarHBondContact CE-O 3.42Å; M685-Q689 HydrophobicContact CG-CB 3.72Å; D686-Q689 WeakPolarHBondContact O-CB 3.44Å; D686-Q689 PolarHBondContact O-N 3.19Å; D686-Q689 WeakPolarHBondContact OD1-CG 3.35Å; D686-Q689 PolarHBondContact OD1-N 3.37Å; Q689-C693 WeakPolarHBondContact O-CB 3.47Å; Q689-C693 PolarHBondContact O-N 3Å; Q689-C693 VanDerWaalsContact O-N 3.1Å
690	I	93.3	Very high	91.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-48.9	177.1	-63.2	163.4	0	0	0	110.2	M685 D686 I687 L688 N692 C693 L694 L719 L722 I734 F739	M685-I690 HydrophobicContact CB-CG1 4.29Å; M685-I690 HydrophobicContact CE-CB 4.37Å; M685-I690 HydrophobicContact CE-CG1 3.97Å; M685-I690 HydrophobicContact CG-CG1 3.88Å; M685-I690 HydrophobicContact SD-CG1 3.99Å; D686-I690 VanDerWaalsContact O-CG1 3.28Å; D686-I690 WeakPolarHBondContact O-CG1 3.43Å; D686-I690 PolarHBondContact O-N 3.33Å; I687-I690 PolarHBondContact O-N 2.86Å; L688-I690 VanDerWaalsContact C-N 3.3Å; L688-I690 PolarHBondContact O-N 2.98Å; I690-N692 PolarHBondContact O-N 3.28Å; I690-C693 PolarHBondContact O-N 2.82Å; I690-L694 HydrophobicContact CG2-CD1 3.73Å; I690-L694 HydrophobicContact CG2-CG 4.18Å; I690-L694 WeakPolarHBondContact O-CB 3.37Å; I690-L694 VanDerWaalsContact O-CG 3.27Å; I690-L694 WeakPolarHBondContact O-CG 3.49Å; I690-L694 PolarHBondContact O-N 3.29Å; I690-L719 HydrophobicContact CB-CD1 4.17Å; I690-L719 HydrophobicContact CG2-CD1 3.61Å; I690-L722 HydrophobicContact CG2-CD1 4.42Å; I690-I734 HydrophobicContact CD1-CB 4.24Å; I690-I734 HydrophobicContact CD1-CD1 4.13Å; I690-I734 HydrophobicContact CD1-CG1 4.35Å; I690-F739 HydrophobicContact CG2-CD2 4.3Å; I690-F739 HydrophobicContact CG2-CE2 3.88Å
691	I	92.6	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-51.2	177.5	-72.1	167.4	0	0	0	110.1	Q590 F592 L593 I687 L688 C693 L694 T695 V715 L719	Q590-I691 VanDerWaalsContact CD-CD1 3.47Å; Q590-I691 HydrophobicContact CG-CD1 3.92Å; F592-I691 HydrophobicContact CE1-CG2 4.31Å; F592-I691 HydrophobicContact CZ-CG2 4.17Å; L593-I691 HydrophobicContact CD1-CD1 3.77Å; L593-I691 HydrophobicContact CD1-CG1 4.11Å; L593-I691 HydrophobicContact CD1-CG2 3.97Å; I687-I691 HydrophobicContact CG2-CD1 3.63Å; I687-I691 HydrophobicContact CG2-CG1 4.21Å; I687-I691 WeakPolarHBondContact O-CB 3.42Å; I687-I691 VanDerWaalsContact O-CG1 3.27Å; I687-I691 WeakPolarHBondContact O-CG1 3.36Å; I687-I691 PolarHBondContact O-N 2.79Å; L688-I691 PolarHBondContact O-N 2.92Å; I691-C693 VanDerWaalsContact C-N 3.31Å; I691-C693 PolarHBondContact O-N 2.99Å; I691-L694 PolarHBondContact O-N 3.11Å; I691-T695 WeakPolarHBondContact O-CB 3.47Å; I691-T695 PolarHBondContact O-N 3.4Å; I691-T695 PolarHBondContact O-OG1 2.83Å; I691-V715 HydrophobicContact CG2-CG1 4.18Å; I691-L719 HydrophobicContact CD1-CD2 4.05Å; I691-L719 HydrophobicContact CG1-CD2 3.8Å
692	N	91	Very high	91.6	Very high	74 Å²	74	39.3 Å²	39.3	40%	0.396	20%	0.203	S	C	.	.	H	α-helix	trans	-60.8	-40.4	-177.5	-69.2	-15.8	0	0	0	112.5	H676 L688 I690 T696	H676-N692 PolarHBondContact CE1-O 3.15Å; H676-N692 PolarHBondContact NE2-O 3.08Å; L688-N692 WeakPolarHBondContact O-CB 3.47Å; L688-N692 PolarHBondContact O-N 3.46Å; L688-N692 PolarHBondContact O-ND2 3.38Å; I690-N692 PolarHBondContact O-N 3.28Å; N692-T696 PolarHBondContact O-N 2.61Å; N692-T696 VanDerWaalsContact O-N 3.09Å; N692-T696 PolarHBondContact O-OG1 3.07Å
693	C	94.1	Very high	91.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-44.6	176.4	-170.3	0	0	0	0	111.6	H676 M685 Q689 I690 I691 T696 I697 F739	H676-C693 HydrophobicContact CB-CB 4.42Å; M685-C693 HydrophobicContact CE-CB 3.9Å; Q689-C693 WeakPolarHBondContact O-CB 3.47Å; Q689-C693 PolarHBondContact O-N 3Å; Q689-C693 VanDerWaalsContact O-N 3.1Å; I690-C693 PolarHBondContact O-N 2.82Å; I691-C693 VanDerWaalsContact C-N 3.31Å; I691-C693 PolarHBondContact O-N 2.99Å; C693-T696 WeakPolarHBondContact O-CB 3.47Å; C693-T696 PolarHBondContact O-N 3.02Å; C693-I697 WeakPolarHBondContact O-CG1 3.28Å; C693-I697 PolarHBondContact O-N 3.1Å; C693-I697 VanDerWaalsContact O-N 3.07Å; C693-F739 HydrophobicContact CB-CZ 4.4Å
694	L	95.3	Very high	91.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-42.2	175.8	-69.9	176.8	0	0	0	112.1	I690 I691 T696 I697 Y698 V715 C718 L719 L722 F739 I743	I690-L694 HydrophobicContact CG2-CD1 3.73Å; I690-L694 HydrophobicContact CG2-CG 4.18Å; I690-L694 WeakPolarHBondContact O-CB 3.37Å; I690-L694 VanDerWaalsContact O-CG 3.27Å; I690-L694 WeakPolarHBondContact O-CG 3.49Å; I690-L694 PolarHBondContact O-N 3.29Å; I691-L694 PolarHBondContact O-N 3.11Å; L694-T696 VanDerWaalsContact C-N 3.3Å; L694-T696 PolarHBondContact O-N 2.97Å; L694-I697 WeakPolarHBondContact O-CB 3.41Å; L694-I697 PolarHBondContact O-N 3.2Å; L694-I697 VanDerWaalsContact O-N 3.09Å; L694-Y698 HydrophobicContact CB-CD2 4.37Å; L694-Y698 HydrophobicContact CB-CE2 4.5Å; L694-Y698 HydrophobicContact CD2-CE2 4.32Å; L694-Y698 WeakPolarHBondContact O-CD2 3.28Å; L694-Y698 PolarHBondContact O-N 3.39Å; L694-V715 HydrophobicContact CB-CG1 4.07Å; L694-V715 HydrophobicContact CB-CG2 4.24Å; L694-C718 HydrophobicContact CD1-CB 4.15Å; L694-C718 HydrophobicContact CD2-CB 4.25Å; L694-L719 HydrophobicContact CD1-CB 4.01Å; L694-L722 HydrophobicContact CD1-CD1 4.31Å; L694-L722 HydrophobicContact CD2-CD1 4.43Å; L694-F739 HydrophobicContact CD2-CE2 4.04Å; L694-F739 HydrophobicContact CD2-CZ 4.06Å; L694-F739 HydrophobicContact CG-CE2 4.28Å; L694-F739 HydrophobicContact CG-CZ 4.38Å; L694-I743 HydrophobicContact CD2-CD1 4.18Å
695	T	92.6	Very high	91.7	Very high	23 Å²	23	42.3 Å²	42.3	14%	0.141	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-45.7	175.2	-59.4	0	0	0	0	110.1	I691 I697 Y698 D699 V711	I691-T695 WeakPolarHBondContact O-CB 3.47Å; I691-T695 PolarHBondContact O-N 3.4Å; I691-T695 PolarHBondContact O-OG1 2.83Å; T695-I697 VanDerWaalsContact C-N 3.29Å; T695-I697 PolarHBondContact O-N 2.88Å; T695-Y698 PolarHBondContact O-N 3.34Å; T695-D699 WeakPolarHBondContact CG2-OD2 3.37Å; T695-D699 VanDerWaalsContact O-CB 3.32Å; T695-D699 WeakPolarHBondContact O-CB 3.26Å; T695-D699 PolarHBondContact O-N 3.03Å; T695-V711 HydrophobicContact CG2-CG1 4.41Å
696	T	92.6	Very high	90.9	Very high	32 Å²	32	47.5 Å²	47.5	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-37.6	175.6	-57	0	0	0	0	112.6	A672 H676 N692 C693 L694 R700	A672-T696 HydrophobicContact CB-CG2 4.43Å; H676-T696 PolarHBondContact NE2-OG1 3.33Å; N692-T696 PolarHBondContact O-N 2.61Å; N692-T696 VanDerWaalsContact O-N 3.09Å; N692-T696 PolarHBondContact O-OG1 3.07Å; C693-T696 WeakPolarHBondContact O-CB 3.47Å; C693-T696 PolarHBondContact O-N 3.02Å; L694-T696 VanDerWaalsContact C-N 3.3Å; L694-T696 PolarHBondContact O-N 2.97Å; T696-R700 WeakPolarHBondContact O-CG 3.47Å
697	I	94.3	Very high	90.4	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-50.4	175.8	-70	168.6	0	0	0	110.3	L664 A672 C693 L694 T695 R700 L701	L664-I697 HydrophobicContact CD1-CG2 3.84Å; L664-I697 HydrophobicContact CD2-CG2 3.99Å; A672-I697 HydrophobicContact CB-CD1 4.21Å; A672-I697 HydrophobicContact CB-CG1 3.45Å; A672-I697 VanDerWaalsContact CB-CG1 3.45Å; C693-I697 WeakPolarHBondContact O-CG1 3.28Å; C693-I697 PolarHBondContact O-N 3.1Å; C693-I697 VanDerWaalsContact O-N 3.07Å; L694-I697 WeakPolarHBondContact O-CB 3.41Å; L694-I697 PolarHBondContact O-N 3.2Å; L694-I697 VanDerWaalsContact O-N 3.09Å; T695-I697 VanDerWaalsContact C-N 3.29Å; T695-I697 PolarHBondContact O-N 2.88Å; I697-R700 PolarHBondContact O-N 3.5Å; I697-L701 HydrophobicContact CG2-CD1 4.02Å; I697-L701 WeakPolarHBondContact O-CG 3.14Å; I697-L701 PolarHBondContact O-N 2.92Å; I697-L701 VanDerWaalsContact O-N 3.11Å
698	Y	95.2	Very high	90.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-76.5	-29.9	-173.3	-74.7	-67.3	0	0	0	113.8	L659 C660 L694 T695 R700 L701 E702 V709 C714 V715 C718	L659-Y698 WeakPolarHBondContact O-CE1 3.38Å; L659-Y698 PolarHBondContact O-OH 3.05Å; C660-Y698 HydrophobicContact CB-CE1 4.22Å; L694-Y698 HydrophobicContact CB-CD2 4.37Å; L694-Y698 HydrophobicContact CB-CE2 4.5Å; L694-Y698 HydrophobicContact CD2-CE2 4.32Å; L694-Y698 WeakPolarHBondContact O-CD2 3.28Å; L694-Y698 PolarHBondContact O-N 3.39Å; T695-Y698 PolarHBondContact O-N 3.34Å; Y698-R700 VanDerWaalsContact C-N 3.33Å; Y698-R700 PolarHBondContact O-N 2.95Å; Y698-L701 HydrophobicContact CD1-CD1 3.82Å; Y698-L701 HydrophobicContact CE1-CD1 4.01Å; Y698-L701 PolarHBondContact O-N 3.5Å; Y698-E702 WeakPolarHBondContact O-CB 3.25Å; Y698-E702 PolarHBondContact O-N 3.47Å; Y698-V709 HydrophobicContact CD1-CG1 3.95Å; Y698-C714 HydrophobicContact CD1-CB 3.49Å; Y698-C714 VanDerWaalsContact CD1-CB 3.49Å; Y698-C714 HydrophobicContact CD2-CB 4.08Å; Y698-C714 HydrophobicContact CE1-CB 3.54Å; Y698-C714 HydrophobicContact CE2-CB 4.12Å; Y698-C714 WeakPolarHBondContact CE2-O 3.32Å; Y698-C714 HydrophobicContact CG-CB 3.78Å; Y698-V715 HydrophobicContact CD2-CG2 3.74Å; Y698-V715 HydrophobicContact CG-CG2 4.37Å; Y698-C718 HydrophobicContact CE2-CB 3.85Å; Y698-C718 WeakPolarHBondContact OH-CB 3.45Å
699	D	90.8	Very high	90.1	Very high	64 Å²	64	55.3 Å²	55.3	34%	0.342	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-43.6	170.8	-76	-21	0	0	0	111	T695 E702 Q703 V711	T695-D699 WeakPolarHBondContact CG2-OD2 3.37Å; T695-D699 VanDerWaalsContact O-CB 3.32Å; T695-D699 WeakPolarHBondContact O-CB 3.26Å; T695-D699 PolarHBondContact O-N 3.03Å; D699-E702 PolarHBondContact O-N 3.12Å; D699-Q703 WeakPolarHBondContact O-CG 3.3Å; D699-Q703 PolarHBondContact O-N 3.3Å; D699-Q703 VanDerWaalsContact O-N 3.13Å; D699-V711 WeakPolarHBondContact OD1-CG1 3.43Å
700	R	90.3	Very high	90.1	Very high	60 Å²	60	55.8 Å²	55.8	23%	0.226	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-40.8	175.2	-70	-179.6	-172.1	-166	6.3	112	T696 I697 Y698 E702 Q703 E704	T696-R700 WeakPolarHBondContact O-CG 3.47Å; I697-R700 PolarHBondContact O-N 3.5Å; Y698-R700 VanDerWaalsContact C-N 3.33Å; Y698-R700 PolarHBondContact O-N 2.95Å; R700-E702 VanDerWaalsContact C-N 3.32Å; R700-Q703 PolarHBondContact O-N 3.12Å; R700-E704 PolarHBondContact O-N 3.07Å; R700-E704 VanDerWaalsContact O-N 3.1Å
701	L	92.1	Very high	89.9	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-35.8	177.6	-70.8	174.7	0	0	0	112	L663 L664 I697 Y698 E704 H705 V709	L663-L701 HydrophobicContact CB-CD2 4.28Å; L664-L701 HydrophobicContact CB-CD1 4.36Å; L664-L701 HydrophobicContact CD1-CD2 4.48Å; I697-L701 HydrophobicContact CG2-CD1 4.02Å; I697-L701 WeakPolarHBondContact O-CG 3.14Å; I697-L701 PolarHBondContact O-N 2.92Å; I697-L701 VanDerWaalsContact O-N 3.11Å; Y698-L701 HydrophobicContact CD1-CD1 3.82Å; Y698-L701 HydrophobicContact CE1-CD1 4.01Å; Y698-L701 PolarHBondContact O-N 3.5Å; L701-E704 PolarHBondContact O-N 3.32Å; L701-H705 WeakPolarHBondContact O-CA 3.22Å; L701-H705 WeakPolarHBondContact O-CB 3.45Å; L701-H705 PolarHBondContact O-N 3.31Å; L701-V709 HydrophobicContact CB-CG2 4.03Å
702	E	92	Very high	89.9	Confident	82 Å²	82	57.6 Å²	57.6	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-48.4	173.1	-171.3	-155.5	-149.3	0	0	110.4	Y698 D699 R700 E704 H705 N706 V709 V711	Y698-E702 WeakPolarHBondContact O-CB 3.25Å; Y698-E702 PolarHBondContact O-N 3.47Å; D699-E702 PolarHBondContact O-N 3.12Å; R700-E702 VanDerWaalsContact C-N 3.32Å; E702-E704 VanDerWaalsContact C-N 3.29Å; E702-E704 PolarHBondContact O-N 3.11Å; E702-H705 CarbonylContact O-C 3.55Å; E702-H705 PolarHBondContact O-N 3.2Å; E702-N706 PolarHBondContact O-N 2.82Å; E702-N706 VanDerWaalsContact O-N 3.08Å; E702-N706 PolarHBondContact O-OD1 3.37Å; E702-V709 HydrophobicContact CB-CB 4.28Å; E702-V709 HydrophobicContact CB-CG1 4.36Å; E702-V711 HydrophobicContact CB-CG2 3.95Å; E702-V711 HydrophobicContact CG-CG2 4.38Å
703	Q	89.2	Confident	89.9	Confident	143 Å²	143	55.3 Å²	55.3	67%	0.668	28%	0.281	S	S	*	.	H	α-helix	trans	-57.8	-38.5	178.1	-69.5	171.2	11.9	0	0	113.1	D699 R700	D699-Q703 WeakPolarHBondContact O-CG 3.3Å; D699-Q703 PolarHBondContact O-N 3.3Å; D699-Q703 VanDerWaalsContact O-N 3.13Å; R700-Q703 PolarHBondContact O-N 3.12Å
704	E	87.6	Confident	90	Very high	126 Å²	126	55.8 Å²	55.8	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-81.8	-29	179.3	-68.8	-178.8	-177.4	0	0	113.3	R700 L701 E702	R700-E704 PolarHBondContact O-N 3.07Å; R700-E704 VanDerWaalsContact O-N 3.1Å; L701-E704 PolarHBondContact O-N 3.32Å; E702-E704 VanDerWaalsContact C-N 3.29Å; E702-E704 PolarHBondContact O-N 3.11Å
705	H	87.4	Confident	90	Very high	64 Å²	64	55.8 Å²	55.8	30%	0.296	28%	0.284	S	S	.	.	S	Bend	trans	-133.9	58.4	-171.3	-63.4	-49.9	0	0	0	112.5	L663 L701 E702 N707 L708	L663-H705 HydrophobicContact CD1-CB 4.4Å; L701-H705 WeakPolarHBondContact O-CA 3.22Å; L701-H705 WeakPolarHBondContact O-CB 3.45Å; L701-H705 PolarHBondContact O-N 3.31Å; E702-H705 CarbonylContact O-C 3.55Å; E702-H705 PolarHBondContact O-N 3.2Å; H705-N707 PolarHBondContact O-N 2.99Å; H705-L708 HydrophobicContact CB-CB 4.5Å; H705-L708 HydrophobicContact CB-CD1 4.44Å; H705-L708 PolarHBondContact O-N 3.42Å; H705-L708 VanDerWaalsContact O-N 3.13Å
706	N	76.2	Confident	90.1	Very high	111 Å²	111	54.7 Å²	54.7	59%	0.594	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	134.8	177.2	-79.7	-20.6	0	0	0	112.5	E702 L708	E702-N706 PolarHBondContact O-N 2.82Å; E702-N706 VanDerWaalsContact O-N 3.08Å; E702-N706 PolarHBondContact O-OD1 3.37Å; N706-L708 VanDerWaalsContact C-N 3.32Å; N706-L708 PolarHBondContact O-N 2.95Å
707	N	81.1	Confident	90.2	Very high	167 Å²	167	53.6 Å²	53.6	89%	0.893	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-6.8	-177.6	-47.3	-52.5	0	0	0	117.3	H705	H705-N707 PolarHBondContact O-N 2.99Å
708	L	84.1	Confident	90.3	Very high	118 Å²	118	53.4 Å²	53.4	62%	0.618	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-21.4	176.5	-65.2	177.3	0	0	0	113.4	H705 N706	H705-L708 HydrophobicContact CB-CB 4.5Å; H705-L708 HydrophobicContact CB-CD1 4.44Å; H705-L708 PolarHBondContact O-N 3.42Å; H705-L708 VanDerWaalsContact O-N 3.13Å; N706-L708 VanDerWaalsContact C-N 3.32Å; N706-L708 PolarHBondContact O-N 2.95Å
709	V	90.3	Very high	90.4	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.067	27%	0.269	C	S	.	.			trans	-115.1	124.5	-175	-176.5	0	0	0	0	109.3	Y698 L701 E702 V711 C714	Y698-V709 HydrophobicContact CD1-CG1 3.95Å; L701-V709 HydrophobicContact CB-CG2 4.03Å; E702-V709 HydrophobicContact CB-CB 4.28Å; E702-V709 HydrophobicContact CB-CG1 4.36Å; V709-V711 HydrophobicContact CG1-CG2 4.48Å; V709-C714 HydrophobicContact CG1-CB 4.45Å
710	N	90.8	Very high	90.6	Very high	86 Å²	86	50.4 Å²	50.4	46%	0.46	25%	0.253	S	S	.	.			trans	-106.3	105.9	166.8	176.2	-66.4	0	0	0	106.8	P712 L713 C714	N710-P712 WeakPolarHBondContact OD1-CD 3.29Å; N710-L713 HydrophobicContact CB-CB 4.13Å; N710-L713 PolarHBondContact O-N 3Å; N710-L713 WeakPolarHBondContact OD1-CB 3.41Å; N710-L713 PolarHBondContact OD1-N 3.35Å; N710-C714 VanDerWaalsContact O-CB 3.31Å; N710-C714 WeakPolarHBondContact O-CB 3.41Å; N710-C714 PolarHBondContact O-N 3.1Å; N710-C714 PolarHBondContact O-SG 3.11Å
711	V	89.4	Confident	90.9	Very high	13 Å²	13	47.5 Å²	47.5	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-55.4	-53.4	-169.4	178.4	0	0	0	0	112.3	T695 D699 E702 V709 L713 C714 V715	T695-V711 HydrophobicContact CG2-CG1 4.41Å; D699-V711 WeakPolarHBondContact OD1-CG1 3.43Å; E702-V711 HydrophobicContact CB-CG2 3.95Å; E702-V711 HydrophobicContact CG-CG2 4.38Å; V709-V711 HydrophobicContact CG1-CG2 4.48Å; V711-L713 PolarHBondContact O-N 3.08Å; V711-C714 PolarHBondContact O-N 3.27Å; V711-V715 HydrophobicContact CG1-CG2 4.11Å; V711-V715 WeakPolarHBondContact O-CB 3.37Å; V711-V715 VanDerWaalsContact O-CG2 3.24Å; V711-V715 WeakPolarHBondContact O-CG2 3.47Å; V711-V715 PolarHBondContact O-N 3.23Å
712	P	91.2	Very high	91.1	Very high	26 Å²	26	47.3 Å²	47.3	17%	0.169	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-45.3	179.9	-25.2	34.1	0	0	0	113.5	F592 L593 T595 N710 D716	F592-P712 HydrophobicContact CD2-CG 4.31Å; L593-P712 HydrophobicContact CD2-CB 4.29Å; L593-P712 WeakPolarHBondContact CD2-O 3.32Å; T595-P712 WeakPolarHBondContact OG1-CB 3.29Å; N710-P712 WeakPolarHBondContact OD1-CD 3.29Å; P712-D716 WeakPolarHBondContact O-CB 3.45Å; P712-D716 PolarHBondContact O-N 3.42Å; P712-D716 VanDerWaalsContact O-N 3.15Å
713	L	92.4	Very high	91.3	Very high	26 Å²	26	43.5 Å²	43.5	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-44.2	-179.7	175.7	65	0	0	0	112.3	H625 K627 N710 V711 D716 M717	H625-L713 VanDerWaalsContact CE1-CD1 3.46Å; H625-L713 WeakPolarHBondContact CE1-CD1 3.42Å; K627-L713 HydrophobicContact CD-CD1 3.88Å; K627-L713 HydrophobicContact CD-CD2 3.89Å; K627-L713 HydrophobicContact CD-CG 4.48Å; N710-L713 HydrophobicContact CB-CB 4.13Å; N710-L713 PolarHBondContact O-N 3Å; N710-L713 WeakPolarHBondContact OD1-CB 3.41Å; N710-L713 PolarHBondContact OD1-N 3.35Å; V711-L713 PolarHBondContact O-N 3.08Å; L713-D716 PolarHBondContact O-N 3.37Å; L713-M717 HydrophobicContact CD1-CG 3.83Å; L713-M717 HydrophobicContact CG-CG 4.28Å; L713-M717 VanDerWaalsContact O-CB 3.25Å; L713-M717 WeakPolarHBondContact O-CB 3.39Å; L713-M717 VanDerWaalsContact O-CG 3.25Å; L713-M717 WeakPolarHBondContact O-CG 3.45Å; L713-M717 PolarHBondContact O-N 3.35Å
714	C	94.4	Very high	91.5	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-41.3	-178.1	-72.6	0	0	0	0	111.8	Y698 V709 N710 V711 C718	Y698-C714 HydrophobicContact CD1-CB 3.49Å; Y698-C714 VanDerWaalsContact CD1-CB 3.49Å; Y698-C714 HydrophobicContact CD2-CB 4.08Å; Y698-C714 HydrophobicContact CE1-CB 3.54Å; Y698-C714 HydrophobicContact CE2-CB 4.12Å; Y698-C714 WeakPolarHBondContact CE2-O 3.32Å; Y698-C714 HydrophobicContact CG-CB 3.78Å; V709-C714 HydrophobicContact CG1-CB 4.45Å; N710-C714 VanDerWaalsContact O-CB 3.31Å; N710-C714 WeakPolarHBondContact O-CB 3.41Å; N710-C714 PolarHBondContact O-N 3.1Å; N710-C714 PolarHBondContact O-SG 3.11Å; V711-C714 PolarHBondContact O-N 3.27Å; C714-C718 VanDerWaalsContact O-CB 3.23Å; C714-C718 WeakPolarHBondContact O-CB 3.4Å; C714-C718 PolarHBondContact O-N 2.98Å
715	V	95.3	Very high	91.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-50.2	174.4	170.7	0	0	0	0	110.4	L593 I691 L694 Y698 V711 C718 L719	L593-V715 HydrophobicContact CD1-CG1 4.39Å; L593-V715 HydrophobicContact CD2-CB 4.08Å; L593-V715 HydrophobicContact CD2-CG1 3.94Å; I691-V715 HydrophobicContact CG2-CG1 4.18Å; L694-V715 HydrophobicContact CB-CG1 4.07Å; L694-V715 HydrophobicContact CB-CG2 4.24Å; Y698-V715 HydrophobicContact CD2-CG2 3.74Å; Y698-V715 HydrophobicContact CG-CG2 4.37Å; V711-V715 HydrophobicContact CG1-CG2 4.11Å; V711-V715 WeakPolarHBondContact O-CB 3.37Å; V711-V715 VanDerWaalsContact O-CG2 3.24Å; V711-V715 WeakPolarHBondContact O-CG2 3.47Å; V711-V715 PolarHBondContact O-N 3.23Å; V715-C718 PolarHBondContact O-N 3.4Å; V715-L719 VanDerWaalsContact O-CB 3.29Å; V715-L719 WeakPolarHBondContact O-CB 3.35Å; V715-L719 PolarHBondContact O-N 3.03Å
716	D	94.8	Very high	92.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.6	-39.1	-175.4	-152.2	38.3	0	0	0	112	S596 R603 Y613 H625 P712 L713 N720	S596-D716 PolarHBondContact OG-OD2 3.39Å; R603-D716 WeakPolarHBondContact CD-OD2 3.4Å; R603-D716 IonicContact CZ-OD1 2.69Å; R603-D716 VanDerWaalsContact NE-CG 3.34Å; R603-D716 IonicContact NE-OD1 3.7Å; R603-D716 PolarHBondContact NE-OD1 3.37Å; R603-D716 IonicContact NE-OD2 2.72Å; R603-D716 PolarHBondContact NE-OD2 3.4Å; R603-D716 IonicContact NH2-OD1 3.92Å; R603-D716 PolarHBondContact NH2-OD1 3.12Å; Y613-D716 WeakPolarHBondContact CE1-OD2 3.29Å; Y613-D716 PolarHBondContact OH-OD1 3.37Å; Y613-D716 PolarHBondContact OH-OD2 3.09Å; H625-D716 IonicContact CD2-OD2 2.67Å; H625-D716 PolarHBondContact CD2-OD2 3.32Å; P712-D716 WeakPolarHBondContact O-CB 3.45Å; P712-D716 PolarHBondContact O-N 3.42Å; P712-D716 VanDerWaalsContact O-N 3.15Å; L713-D716 PolarHBondContact O-N 3.37Å; D716-N720 VanDerWaalsContact O-CB 3.26Å; D716-N720 WeakPolarHBondContact O-CB 3.35Å; D716-N720 PolarHBondContact O-N 3.46Å
717	M	95.3	Very high	93	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-43.3	173.4	-78.7	-74.7	-63.5	0	0	112.7	H625 K627 M628 L631 L659 L713 N720 W721	H625-M717 HydrophobicContact CB-SD 4.06Å; H625-M717 PolarHBondContact ND1-SD 2.86Å; H625-M717 VanDerWaalsContact ND1-SD 3.37Å; K627-M717 HydrophobicContact CB-CE 4.27Å; K627-M717 HydrophobicContact CB-SD 3.73Å; M628-M717 HydrophobicContact CB-CE 4.09Å; M628-M717 HydrophobicContact CB-SD 3.92Å; M628-M717 HydrophobicContact CE-CE 3.89Å; M628-M717 WeakPolarHBondContact CE-O 3.47Å; M628-M717 HydrophobicContact CE-SD 4.32Å; M628-M717 PolarHBondContact N-SD 2.82Å; M628-M717 VanDerWaalsContact N-SD 3.45Å; M628-M717 HydrophobicContact SD-CE 4Å; L631-M717 HydrophobicContact CD2-CE 4.3Å; L659-M717 HydrophobicContact CD2-CB 3.9Å; L659-M717 HydrophobicContact CD2-CE 4.39Å; L713-M717 HydrophobicContact CD1-CG 3.83Å; L713-M717 HydrophobicContact CG-CG 4.28Å; L713-M717 VanDerWaalsContact O-CB 3.25Å; L713-M717 WeakPolarHBondContact O-CB 3.39Å; L713-M717 VanDerWaalsContact O-CG 3.25Å; L713-M717 WeakPolarHBondContact O-CG 3.45Å; L713-M717 PolarHBondContact O-N 3.35Å; M717-N720 PolarHBondContact O-N 3.36Å; M717-W721 PolarHBondContact O-N 2.83Å
718	C	96.8	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.7	-42.1	179.3	-166.4	0	0	0	0	111.3	L694 Y698 C714 V715 W721 L722	L694-C718 HydrophobicContact CD1-CB 4.15Å; L694-C718 HydrophobicContact CD2-CB 4.25Å; Y698-C718 HydrophobicContact CE2-CB 3.85Å; Y698-C718 WeakPolarHBondContact OH-CB 3.45Å; C714-C718 VanDerWaalsContact O-CB 3.23Å; C714-C718 WeakPolarHBondContact O-CB 3.4Å; C714-C718 PolarHBondContact O-N 2.98Å; V715-C718 PolarHBondContact O-N 3.4Å; C718-W721 PolarHBondContact O-N 2.89Å; C718-L722 WeakPolarHBondContact O-CG 3.29Å; C718-L722 PolarHBondContact O-N 2.88Å
719	L	96.1	Very high	93.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.1	-48.8	171.6	174.8	64.8	0	0	0	111	P611 I687 I690 I691 L694 V715 W721 L722 L723	P611-L719 HydrophobicContact CG-CD2 3.94Å; I687-L719 HydrophobicContact CG2-CD2 4.12Å; I690-L719 HydrophobicContact CB-CD1 4.17Å; I690-L719 HydrophobicContact CG2-CD1 3.61Å; I691-L719 HydrophobicContact CD1-CD2 4.05Å; I691-L719 HydrophobicContact CG1-CD2 3.8Å; L694-L719 HydrophobicContact CD1-CB 4.01Å; V715-L719 VanDerWaalsContact O-CB 3.29Å; V715-L719 WeakPolarHBondContact O-CB 3.35Å; V715-L719 PolarHBondContact O-N 3.03Å; L719-W721 VanDerWaalsContact C-N 3.32Å; L719-W721 PolarHBondContact O-N 3.06Å; L719-L722 PolarHBondContact O-N 2.79Å; L719-L723 HydrophobicContact CD1-CD1 3.93Å; L719-L723 HydrophobicContact CD1-CG 4.06Å; L719-L723 HydrophobicContact CG-CD1 3.9Å; L719-L723 HydrophobicContact CG-CG 4.42Å; L719-L723 VanDerWaalsContact O-CG 3.28Å; L719-L723 WeakPolarHBondContact O-CG 3.45Å; L719-L723 PolarHBondContact O-N 3.4Å
720	N	95.8	Very high	93.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-44.6	179.2	-167.1	-107.4	0	0	0	111.8	W623 H625 M628 D716 M717 L723 N724	W623-N720 PolarHBondContact O-ND2 3.43Å; H625-N720 HydrophobicContact CB-CB 4.31Å; H625-N720 PolarHBondContact N-ND2 2.99Å; H625-N720 PolarHBondContact N-OD1 3.2Å; M628-N720 WeakPolarHBondContact CB-OD1 3.09Å; M628-N720 HydrophobicContact CE-CB 4.15Å; M628-N720 WeakPolarHBondContact CG-OD1 3.35Å; D716-N720 VanDerWaalsContact O-CB 3.26Å; D716-N720 WeakPolarHBondContact O-CB 3.35Å; D716-N720 PolarHBondContact O-N 3.46Å; M717-N720 PolarHBondContact O-N 3.36Å; N720-L723 PolarHBondContact O-N 2.84Å; N720-N724 WeakPolarHBondContact O-CB 3.38Å; N720-N724 PolarHBondContact O-N 2.96Å; N720-N724 PolarHBondContact O-OD1 2.76Å
721	W	96.8	Very high	93.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-47.5	175.8	174.7	65.1	0	0	0	112.7	M628 L655 L659 L661 M717 C718 L719 L723 N724 V725 L746 I784	M628-W721 HydrophobicContact CE-CB 3.58Å; L655-W721 HydrophobicContact CD1-CG 4.4Å; L655-W721 HydrophobicContact CD2-CD2 4.45Å; L655-W721 HydrophobicContact CD2-CG 4.39Å; L655-W721 HydrophobicContact CD2-CZ2 4.34Å; L655-W721 VanDerWaalsContact CD2-NE1 3.28Å; L659-W721 HydrophobicContact CD1-CB 3.93Å; L659-W721 HydrophobicContact CD1-CD2 3.8Å; L659-W721 HydrophobicContact CD1-CE3 3.85Å; L659-W721 HydrophobicContact CD1-CG 3.82Å; L661-W721 HydrophobicContact CD1-CZ3 4.46Å; M717-W721 PolarHBondContact O-N 2.83Å; C718-W721 PolarHBondContact O-N 2.89Å; L719-W721 VanDerWaalsContact C-N 3.32Å; L719-W721 PolarHBondContact O-N 3.06Å; W721-L723 VanDerWaalsContact C-N 3.32Å; W721-L723 PolarHBondContact O-N 2.86Å; W721-N724 WeakPolarHBondContact O-CB 3.48Å; W721-N724 PolarHBondContact O-N 3.41Å; W721-N724 VanDerWaalsContact O-N 3.11Å; W721-V725 HydrophobicContact CD2-CG2 4.28Å; W721-V725 HydrophobicContact CG-CG2 4.49Å; W721-V725 HydrophobicContact CZ2-CG2 3.93Å; W721-V725 WeakPolarHBondContact O-CG2 3.39Å; W721-V725 PolarHBondContact O-N 3.07Å; W721-L746 HydrophobicContact CH2-CD1 3.4Å; W721-L746 VanDerWaalsContact CH2-CD1 3.4Å; W721-L746 HydrophobicContact CH2-CG 4.03Å; W721-L746 HydrophobicContact CZ2-CD1 3.54Å; W721-L746 HydrophobicContact CZ2-CG 4.4Å; W721-L746 HydrophobicContact CZ3-CD1 3.96Å; W721-I784 HydrophobicContact CZ2-CG1 4.4Å; W721-I784 HydrophobicContact CZ2-CG2 4.48Å
722	L	96.8	Very high	93.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-41.9	-179.8	-74.9	164.1	0	0	0	111.8	I690 L694 C718 L719 N724 V725 Y726 I734 F739 I743	I690-L722 HydrophobicContact CG2-CD1 4.42Å; L694-L722 HydrophobicContact CD1-CD1 4.31Å; L694-L722 HydrophobicContact CD2-CD1 4.43Å; C718-L722 WeakPolarHBondContact O-CG 3.29Å; C718-L722 PolarHBondContact O-N 2.88Å; L719-L722 PolarHBondContact O-N 2.79Å; L722-N724 VanDerWaalsContact C-N 3.34Å; L722-V725 PolarHBondContact O-N 2.87Å; L722-Y726 HydrophobicContact CD2-CD2 4.31Å; L722-Y726 HydrophobicContact CD2-CE2 4.41Å; L722-Y726 PolarHBondContact O-N 2.96Å; L722-I734 HydrophobicContact CB-CD1 4.02Å; L722-F739 HydrophobicContact CD1-CD2 3.6Å; L722-F739 HydrophobicContact CD1-CE2 3.47Å; L722-F739 VanDerWaalsContact CD1-CE2 3.47Å; L722-F739 HydrophobicContact CD2-CD2 4.29Å; L722-I743 HydrophobicContact CD1-CD1 4.24Å
723	L	95.2	Very high	93.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-40	174.8	-64.8	168.9	0	0	0	111	V610 P611 L719 N720 W721 V725 D727 T728 R730 I734	V610-L723 HydrophobicContact CG1-CD1 4.29Å; P611-L723 HydrophobicContact CG-CD1 4.34Å; L719-L723 HydrophobicContact CD1-CD1 3.93Å; L719-L723 HydrophobicContact CD1-CG 4.06Å; L719-L723 HydrophobicContact CG-CD1 3.9Å; L719-L723 HydrophobicContact CG-CG 4.42Å; L719-L723 VanDerWaalsContact O-CG 3.28Å; L719-L723 WeakPolarHBondContact O-CG 3.45Å; L719-L723 PolarHBondContact O-N 3.4Å; N720-L723 PolarHBondContact O-N 2.84Å; W721-L723 VanDerWaalsContact C-N 3.32Å; W721-L723 PolarHBondContact O-N 2.86Å; L723-V725 VanDerWaalsContact C-N 3.28Å; L723-V725 PolarHBondContact O-N 3.34Å; L723-D727 HydrophobicContact CD2-CB 3.84Å; L723-D727 CarbonylContact O-C 3.59Å; L723-D727 WeakPolarHBondContact O-CA 3.28Å; L723-D727 PolarHBondContact O-N 3.47Å; L723-T728 PolarHBondContact O-N 3.34Å; L723-R730 VanDerWaalsContact CB-NH1 3.28Å; L723-I734 HydrophobicContact CD2-CD1 3.91Å; L723-I734 HydrophobicContact CD2-CG1 4.37Å; L723-I734 HydrophobicContact CG-CD1 4.44Å
724	N	94.4	Very high	93.2	Very high	19 Å²	19	26.1 Å²	26.1	10%	0.102	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-29.4	176.6	-72	-6.5	0	0	0	113.6	D624 Y632 N720 W721 L722 T728 R730 Q787	D624-N724 PolarHBondContact OD1-ND2 3.34Å; D624-N724 PolarHBondContact OD1-OD1 2.96Å; Y632-N724 PolarHBondContact OH-ND2 3.11Å; N720-N724 WeakPolarHBondContact O-CB 3.38Å; N720-N724 PolarHBondContact O-N 2.96Å; N720-N724 PolarHBondContact O-OD1 2.76Å; W721-N724 WeakPolarHBondContact O-CB 3.48Å; W721-N724 PolarHBondContact O-N 3.41Å; W721-N724 VanDerWaalsContact O-N 3.11Å; L722-N724 VanDerWaalsContact C-N 3.34Å; N724-T728 WeakPolarHBondContact O-CG2 3.37Å; N724-R730 VanDerWaalsContact OD1-CZ 3.29Å; N724-R730 PolarHBondContact OD1-NH1 3.42Å; N724-R730 PolarHBondContact OD1-NH2 3.08Å; N724-Q787 HydrophobicContact CB-CG 4.16Å
725	V	94.6	Very high	93.1	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-85.3	-43.5	178	179.6	0	0	0	0	111.8	W721 L722 L723 Q783 I784 Q787	W721-V725 HydrophobicContact CD2-CG2 4.28Å; W721-V725 HydrophobicContact CG-CG2 4.49Å; W721-V725 HydrophobicContact CZ2-CG2 3.93Å; W721-V725 WeakPolarHBondContact O-CG2 3.39Å; W721-V725 PolarHBondContact O-N 3.07Å; L722-V725 PolarHBondContact O-N 2.87Å; L723-V725 VanDerWaalsContact C-N 3.28Å; L723-V725 PolarHBondContact O-N 3.34Å; V725-Q783 HydrophobicContact CG1-CB 3.71Å; V725-I784 HydrophobicContact CG1-CG1 4.05Å; V725-Q787 HydrophobicContact CG2-CB 3.86Å; V725-Q787 HydrophobicContact CG2-CG 3.81Å
726	Y	95.6	Very high	93.1	Very high	36 Å²	36	29.4 Å²	29.4	14%	0.141	16%	0.157	C	C	.	.	H	α-helix	trans	-119.8	-13.7	-164.4	-63	-62.6	0	0	0	115.7	L722 I734 S738 D780 Q783	L722-Y726 HydrophobicContact CD2-CD2 4.31Å; L722-Y726 HydrophobicContact CD2-CE2 4.41Å; L722-Y726 PolarHBondContact O-N 2.96Å; Y726-I734 HydrophobicContact CG-CG2 4.39Å; Y726-S738 WeakPolarHBondContact CE2-O 3.43Å; Y726-D780 HydrophobicContact CE1-CB 4.12Å; Y726-D780 VanDerWaalsContact CE1-O 3.27Å; Y726-D780 WeakPolarHBondContact CE1-O 2.91Å; Y726-D780 PolarHBondContact OH-O 3.48Å; Y726-Q783 HydrophobicContact CD1-CB 4.31Å; Y726-Q783 HydrophobicContact CD1-CG 4.35Å; Y726-Q783 HydrophobicContact CE1-CB 4Å; Y726-Q783 HydrophobicContact CE1-CG 4.22Å
727	D	93	Very high	93.1	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.032	16%	0.157	C	C	.	.			trans	-130.1	56.1	177.2	-174.8	28.2	0	0	0	111.2	L723 G729 R730 T731 G732 I734	L723-D727 HydrophobicContact CD2-CB 3.84Å; L723-D727 CarbonylContact O-C 3.59Å; L723-D727 WeakPolarHBondContact O-CA 3.28Å; L723-D727 PolarHBondContact O-N 3.47Å; D727-G729 PolarHBondContact O-N 3.17Å; D727-G729 VanDerWaalsContact O-N 3.14Å; D727-R730 PolarHBondContact O-N 3.47Å; D727-R730 PolarHBondContact OD1-N 3.44Å; D727-R730 WeakPolarHBondContact OD2-CA 3.33Å; D727-T731 VanDerWaalsContact CG-N 3.34Å; D727-T731 WeakPolarHBondContact OD1-CB 3.5Å; D727-T731 PolarHBondContact OD1-N 3.02Å; D727-T731 PolarHBondContact OD1-OG1 3.28Å; D727-T731 PolarHBondContact OD2-N 3.16Å; D727-G732 PolarHBondContact OD2-N 3.12Å; D727-I734 HydrophobicContact CB-CD1 4.37Å; D727-I734 HydrophobicContact CB-CG1 3.86Å
728	T	87.1	Confident	93.1	Very high	116 Å²	116	29.2 Å²	29.2	71%	0.712	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.8	179.3	57.2	0	0	0	0	113.6	L723 N724 R730	L723-T728 PolarHBondContact O-N 3.34Å; N724-T728 WeakPolarHBondContact O-CG2 3.37Å; T728-R730 VanDerWaalsContact C-N 3.34Å
729	G	84.6	Confident	93.1	Very high	59 Å²	59	29.2 Å²	29.2	61%	0.608	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-2.8	175.3	0	0	0	0	0	114.5	D727 T731	D727-G729 PolarHBondContact O-N 3.17Å; D727-G729 VanDerWaalsContact O-N 3.14Å; G729-T731 VanDerWaalsContact C-N 3.26Å; G729-T731 PolarHBondContact O-N 2.97Å
730	R	90.4	Very high	93	Very high	38 Å²	38	29.7 Å²	29.7	14%	0.143	16%	0.158	C	C	.	.			trans	52.5	43.4	-178	-52.9	-56.4	-170.3	-173	-3	112.6	V610 W623 D624 L723 N724 D727 T728 G732	V610-R730 HydrophobicContact CG1-CB 4.34Å; V610-R730 HydrophobicContact CG2-CB 4.35Å; V610-R730 WeakPolarHBondContact CG2-O 3.48Å; W623-R730 HydrophobicContact CD2-CG 4.17Å; W623-R730 HydrophobicContact CE3-CG 4.25Å; W623-R730 HydrophobicContact CZ3-CG 4.48Å; D624-R730 IonicContact OD1-NH2 3.76Å; L723-R730 VanDerWaalsContact CB-NH1 3.28Å; N724-R730 VanDerWaalsContact OD1-CZ 3.29Å; N724-R730 PolarHBondContact OD1-NH1 3.42Å; N724-R730 PolarHBondContact OD1-NH2 3.08Å; D727-R730 PolarHBondContact O-N 3.47Å; D727-R730 PolarHBondContact OD1-N 3.44Å; D727-R730 WeakPolarHBondContact OD2-CA 3.33Å; T728-R730 VanDerWaalsContact C-N 3.34Å; R730-G732 PolarHBondContact O-N 3.34Å
731	T	88.4	Confident	93	Very high	82 Å²	82	29.7 Å²	29.7	50%	0.503	16%	0.158	S	C	.	.			trans	-72.6	-19	176.1	65.1	0	0	0	0	112.3	D727 G729 R733	D727-T731 VanDerWaalsContact CG-N 3.34Å; D727-T731 WeakPolarHBondContact OD1-CB 3.5Å; D727-T731 PolarHBondContact OD1-N 3.02Å; D727-T731 PolarHBondContact OD1-OG1 3.28Å; D727-T731 PolarHBondContact OD2-N 3.16Å; G729-T731 VanDerWaalsContact C-N 3.26Å; G729-T731 PolarHBondContact O-N 2.97Å; T731-R733 VanDerWaalsContact C-N 3.33Å; T731-R733 PolarHBondContact OG1-N 3.09Å; T731-R733 PolarHBondContact OG1-O 3.44Å
732	G	86.9	Confident	92.9	Very high	4 Å²	4	29.7 Å²	29.7	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	79.2	16.8	-175.8	0	0	0	0	0	113.7	I687 D727 R730	I687-G732 PolarHBondContact N-O 3.01Å; D727-G732 PolarHBondContact OD2-N 3.12Å; R730-G732 PolarHBondContact O-N 3.34Å
733	R	91.2	Very high	92.9	Very high	158 Å²	158	29.7 Å²	29.7	60%	0.596	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.6	-179.5	-63.9	-177.2	-179.2	177.2	1.8	111.5	P684 M685 T731	P684-R733 HydrophobicContact CB-CB 4.22Å; M685-R733 WeakPolarHBondContact O-CA 3.49Å; T731-R733 VanDerWaalsContact C-N 3.33Å; T731-R733 PolarHBondContact OG1-N 3.09Å; T731-R733 PolarHBondContact OG1-O 3.44Å
734	I	93.1	Very high	93	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.8	172.3	-64.2	172.3	0	0	0	108.9	M685 I690 L722 L723 Y726 D727 F739	M685-I734 WeakPolarHBondContact CA-O 3.49Å; M685-I734 VanDerWaalsContact CB-O 3.24Å; M685-I734 WeakPolarHBondContact CB-O 3.39Å; M685-I734 PolarHBondContact N-O 3.49Å; M685-I734 PolarHBondContact O-N 2.98Å; I690-I734 HydrophobicContact CD1-CB 4.24Å; I690-I734 HydrophobicContact CD1-CD1 4.13Å; I690-I734 HydrophobicContact CD1-CG1 4.35Å; L722-I734 HydrophobicContact CB-CD1 4.02Å; L723-I734 HydrophobicContact CD2-CD1 3.91Å; L723-I734 HydrophobicContact CD2-CG1 4.37Å; L723-I734 HydrophobicContact CG-CD1 4.44Å; Y726-I734 HydrophobicContact CG-CG2 4.39Å; D727-I734 HydrophobicContact CB-CD1 4.37Å; D727-I734 HydrophobicContact CB-CG1 3.86Å; I734-F739 HydrophobicContact CG2-CB 4.45Å
735	R	94	Very high	93	Very high	77 Å²	77	28.8 Å²	28.8	29%	0.291	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	142.7	174.1	-69.2	-178.9	-65.7	147.6	6.8	111.1	L737 S738 F739 D780	R735-L737 PolarHBondContact O-N 2.88Å; R735-S738 PolarHBondContact NH2-OG 2.74Å; R735-S738 WeakPolarHBondContact O-CB 3.27Å; R735-S738 PolarHBondContact O-N 3Å; R735-F739 PolarHBondContact O-N 3.31Å; R735-D780 IonicContact CZ-OD1 2.65Å; R735-D780 IonicContact CZ-OD2 3.82Å; R735-D780 IonicContact NH2-OD1 2.83Å; R735-D780 PolarHBondContact NH2-OD1 2.76Å; R735-D780 IonicContact NH2-OD2 3.73Å; R735-D780 PolarHBondContact NH2-OD2 3.34Å
736	V	94.8	Very high	93.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-54.5	-39	175.7	170.5	0	0	0	0	111.9	L678 Q680 Q683 M685 S738 F739 K740	L678-V736 HydrophobicContact CB-CG1 4.03Å; L678-V736 HydrophobicContact CD2-CG2 4.23Å; Q680-V736 VanDerWaalsContact O-CB 3.29Å; Q680-V736 WeakPolarHBondContact O-CB 3.47Å; Q683-V736 HydrophobicContact CB-CG2 4.36Å; Q683-V736 WeakPolarHBondContact O-CG2 3.4Å; Q683-V736 PolarHBondContact O-N 3.42Å; M685-V736 HydrophobicContact CB-CG2 4.34Å; M685-V736 HydrophobicContact SD-CG2 4.48Å; V736-S738 VanDerWaalsContact C-N 3.33Å; V736-S738 PolarHBondContact O-N 2.96Å; V736-F739 PolarHBondContact O-N 3.06Å; V736-K740 HydrophobicContact CG1-CD 4.09Å; V736-K740 HydrophobicContact CG1-CG 4.44Å; V736-K740 WeakPolarHBondContact O-CB 3.44Å; V736-K740 WeakPolarHBondContact O-CG 3.48Å; V736-K740 PolarHBondContact O-N 3.37Å
737	L	94	Very high	93.1	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-57.5	-44.5	174.4	-176.1	59.8	0	0	0	112.5	N681 R735 K740 T741 Q761 V762 L776	N681-L737 HydrophobicContact CB-CB 4.07Å; N681-L737 HydrophobicContact CB-CD1 4.46Å; N681-L737 WeakPolarHBondContact O-CB 3.42Å; N681-L737 PolarHBondContact O-N 3.28Å; R735-L737 PolarHBondContact O-N 2.88Å; L737-K740 PolarHBondContact O-N 3.44Å; L737-T741 WeakPolarHBondContact O-CB 3.32Å; L737-T741 PolarHBondContact O-N 3.47Å; L737-T741 PolarHBondContact O-OG1 2.88Å; L737-Q761 HydrophobicContact CD1-CB 3.69Å; L737-V762 HydrophobicContact CD1-CG1 3.97Å; L737-V762 HydrophobicContact CD2-CG1 3.95Å; L737-L776 HydrophobicContact CD2-CB 4.31Å
738	S	95.1	Very high	93.2	Very high	4 Å²	4	33 Å²	33	3%	0.028	17%	0.172	C	C	.	.	H	α-helix	trans	-70.2	-43.2	-176.9	-53.5	0	0	0	0	111	Y726 R735 V736 K740 T741 G742 D780	Y726-S738 WeakPolarHBondContact CE2-O 3.43Å; R735-S738 PolarHBondContact NH2-OG 2.74Å; R735-S738 WeakPolarHBondContact O-CB 3.27Å; R735-S738 PolarHBondContact O-N 3Å; V736-S738 VanDerWaalsContact C-N 3.33Å; V736-S738 PolarHBondContact O-N 2.96Å; S738-K740 PolarHBondContact O-N 3.32Å; S738-T741 PolarHBondContact O-N 3.43Å; S738-G742 PolarHBondContact O-N 3.35Å; S738-D780 WeakPolarHBondContact CA-OD2 3.47Å; S738-D780 WeakPolarHBondContact CB-OD2 3.28Å; S738-D780 PolarHBondContact N-OD2 3.4Å; S738-D780 PolarHBondContact OG-OD2 3.49Å
739	F	96.5	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.2	-51.1	172.6	179.2	-106.1	0	0	0	111.6	L673 L678 M685 I690 C693 L694 L722 I734 R735 V736 T741 G742 I743	L673-F739 HydrophobicContact CD2-CD1 3.89Å; L673-F739 HydrophobicContact CD2-CE1 3.57Å; L678-F739 HydrophobicContact CD1-CD1 4.3Å; L678-F739 HydrophobicContact CD1-CE1 4.17Å; M685-F739 HydrophobicContact CE-CE1 4.37Å; M685-F739 HydrophobicContact SD-CD1 4.13Å; M685-F739 HydrophobicContact SD-CG 4.23Å; I690-F739 HydrophobicContact CG2-CD2 4.3Å; I690-F739 HydrophobicContact CG2-CE2 3.88Å; C693-F739 HydrophobicContact CB-CZ 4.4Å; L694-F739 HydrophobicContact CD2-CE2 4.04Å; L694-F739 HydrophobicContact CD2-CZ 4.06Å; L694-F739 HydrophobicContact CG-CE2 4.28Å; L694-F739 HydrophobicContact CG-CZ 4.38Å; L722-F739 HydrophobicContact CD1-CD2 3.6Å; L722-F739 HydrophobicContact CD1-CE2 3.47Å; L722-F739 VanDerWaalsContact CD1-CE2 3.47Å; L722-F739 HydrophobicContact CD2-CD2 4.29Å; I734-F739 HydrophobicContact CG2-CB 4.45Å; R735-F739 PolarHBondContact O-N 3.31Å; V736-F739 PolarHBondContact O-N 3.06Å; F739-T741 PolarHBondContact O-N 3.45Å; F739-G742 PolarHBondContact O-N 2.89Å; F739-I743 HydrophobicContact CD2-CG1 4.45Å; F739-I743 HydrophobicContact CE1-CG1 4.4Å; F739-I743 HydrophobicContact CE2-CD1 4.45Å; F739-I743 HydrophobicContact CE2-CG1 4.11Å; F739-I743 HydrophobicContact CZ-CG1 4.09Å; F739-I743 WeakPolarHBondContact O-CG1 3.45Å; F739-I743 PolarHBondContact O-N 3.26Å; F739-I743 VanDerWaalsContact O-N 3.1Å
740	K	95.9	Very high	93.9	Very high	10 Å²	10	33 Å²	33	4%	0.043	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-44.4	176	-72.1	176.2	178.3	173.8	0	112.2	L673 L678 N681 V736 L737 S738 G742 I743 I744 Q761	L673-K740 HydrophobicContact CD1-CG 4.01Å; L673-K740 HydrophobicContact CD2-CG 4.14Å; L678-K740 WeakPolarHBondContact O-CE 3.33Å; L678-K740 PolarHBondContact O-NZ 3.02Å; N681-K740 PolarHBondContact OD1-NZ 3.34Å; V736-K740 HydrophobicContact CG1-CD 4.09Å; V736-K740 HydrophobicContact CG1-CG 4.44Å; V736-K740 WeakPolarHBondContact O-CB 3.44Å; V736-K740 WeakPolarHBondContact O-CG 3.48Å; V736-K740 PolarHBondContact O-N 3.37Å; L737-K740 PolarHBondContact O-N 3.44Å; S738-K740 PolarHBondContact O-N 3.32Å; K740-G742 VanDerWaalsContact C-N 3.34Å; K740-G742 PolarHBondContact O-N 2.85Å; K740-I743 PolarHBondContact O-N 3.34Å; K740-I744 VanDerWaalsContact O-CB 3.26Å; K740-I744 WeakPolarHBondContact O-CB 3.36Å; K740-I744 WeakPolarHBondContact O-CG1 3.45Å; K740-I744 PolarHBondContact O-N 2.97Å; K740-Q761 HydrophobicContact CD-CG 4.39Å
741	T	95.3	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-43.9	-179.1	-60.4	0	0	0	0	111.1	L737 S738 F739 S745 L758 L777 D780	L737-T741 WeakPolarHBondContact O-CB 3.32Å; L737-T741 PolarHBondContact O-N 3.47Å; L737-T741 PolarHBondContact O-OG1 2.88Å; S738-T741 PolarHBondContact O-N 3.43Å; F739-T741 PolarHBondContact O-N 3.45Å; T741-S745 WeakPolarHBondContact O-CB 3.41Å; T741-S745 PolarHBondContact O-N 3.47Å; T741-S745 PolarHBondContact O-OG 3.32Å; T741-L758 HydrophobicContact CG2-CD2 4.24Å; T741-L777 HydrophobicContact CG2-CD1 4.5Å; T741-D780 HydrophobicContact CG2-CB 4.12Å
742	G	94.9	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-54.8	176	0	0	0	0	0	113.1	S738 F739 K740 L746	S738-G742 PolarHBondContact O-N 3.35Å; F739-G742 PolarHBondContact O-N 2.89Å; K740-G742 VanDerWaalsContact C-N 3.34Å; K740-G742 PolarHBondContact O-N 2.85Å; G742-L746 PolarHBondContact O-N 3.41Å
743	I	96.6	Very high	94.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-47.4	-177.2	-62.5	-61.2	0	0	0	111.4	L661 L664 A669 L694 L722 F739 K740 S745 L746 C747	L661-I743 HydrophobicContact CD1-CD1 4.44Å; L661-I743 HydrophobicContact CD2-CD1 4.22Å; L664-I743 HydrophobicContact CD2-CG2 3.74Å; A669-I743 HydrophobicContact CB-CG2 4.48Å; L694-I743 HydrophobicContact CD2-CD1 4.18Å; L722-I743 HydrophobicContact CD1-CD1 4.24Å; F739-I743 HydrophobicContact CD2-CG1 4.45Å; F739-I743 HydrophobicContact CE1-CG1 4.4Å; F739-I743 HydrophobicContact CE2-CD1 4.45Å; F739-I743 HydrophobicContact CE2-CG1 4.11Å; F739-I743 HydrophobicContact CZ-CG1 4.09Å; F739-I743 WeakPolarHBondContact O-CG1 3.45Å; F739-I743 PolarHBondContact O-N 3.26Å; F739-I743 VanDerWaalsContact O-N 3.1Å; K740-I743 PolarHBondContact O-N 3.34Å; I743-S745 PolarHBondContact O-N 2.66Å; I743-L746 CarbonylContact O-C 3.55Å; I743-L746 PolarHBondContact O-N 3Å; I743-C747 WeakPolarHBondContact O-CB 3.4Å; I743-C747 PolarHBondContact O-N 2.79Å
744	I	96.4	Very high	94.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72	-32.3	-176.2	-61	-53.2	0	0	0	112.4	L666 A669 K740 L746 C747 K754 Y757 L758	L666-I744 HydrophobicContact CD1-CD1 3.69Å; L666-I744 HydrophobicContact CD1-CG2 4.01Å; A669-I744 HydrophobicContact CB-CD1 3.76Å; K740-I744 VanDerWaalsContact O-CB 3.26Å; K740-I744 WeakPolarHBondContact O-CB 3.36Å; K740-I744 WeakPolarHBondContact O-CG1 3.45Å; K740-I744 PolarHBondContact O-N 2.97Å; I744-L746 PolarHBondContact O-N 3.19Å; I744-C747 PolarHBondContact O-N 3.11Å; I744-C747 PolarHBondContact O-SG 3.33Å; I744-C747 VanDerWaalsContact O-SG 3.35Å; I744-K754 HydrophobicContact CG2-CG 4.48Å; I744-K754 WeakPolarHBondContact O-CD 3.49Å; I744-K754 WeakPolarHBondContact O-CE 3.48Å; I744-Y757 HydrophobicContact CB-CD1 4.23Å; I744-Y757 HydrophobicContact CB-CE1 4.34Å; I744-Y757 HydrophobicContact CD1-CE1 4.35Å; I744-Y757 HydrophobicContact CG1-CD1 3.87Å; I744-Y757 HydrophobicContact CG1-CE1 3.55Å; I744-Y757 HydrophobicContact CG2-CD1 3.76Å; I744-Y757 HydrophobicContact CG2-CE1 4.34Å; I744-Y757 HydrophobicContact CG2-CG 4.26Å; I744-L758 HydrophobicContact CB-CD2 4.47Å; I744-L758 HydrophobicContact CG2-CD2 4.42Å; I744-L758 HydrophobicContact CG2-CG 4.49Å
745	S	95.2	Very high	94.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-38.5	174.5	-66.3	0	0	0	0	111.4	T741 I743 K754	T741-S745 WeakPolarHBondContact O-CB 3.41Å; T741-S745 PolarHBondContact O-N 3.47Å; T741-S745 PolarHBondContact O-OG 3.32Å; I743-S745 PolarHBondContact O-N 2.66Å; S745-K754 PolarHBondContact O-NZ 3.37Å
746	L	95.8	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-98.4	-2.9	-176.8	-63.3	-170.5	0	0	0	114.7	L652 L655 Q656 L661 W721 G742 I743 I744 L838	L652-L746 HydrophobicContact CD2-CD2 4.43Å; L655-L746 HydrophobicContact CD2-CD1 4.32Å; Q656-L746 HydrophobicContact CG-CB 4.24Å; Q656-L746 VanDerWaalsContact CG-O 3.25Å; Q656-L746 WeakPolarHBondContact CG-O 3.34Å; Q656-L746 PolarHBondContact NE2-O 3Å; L661-L746 CarbonylContact C-O 3.58Å; L661-L746 HydrophobicContact CB-CB 4.13Å; L661-L746 HydrophobicContact CD1-CB 3.77Å; L661-L746 HydrophobicContact CD1-CD1 4.09Å; W721-L746 HydrophobicContact CH2-CD1 3.4Å; W721-L746 VanDerWaalsContact CH2-CD1 3.4Å; W721-L746 HydrophobicContact CH2-CG 4.03Å; W721-L746 HydrophobicContact CZ2-CD1 3.54Å; W721-L746 HydrophobicContact CZ2-CG 4.4Å; W721-L746 HydrophobicContact CZ3-CD1 3.96Å; G742-L746 PolarHBondContact O-N 3.41Å; I743-L746 CarbonylContact O-C 3.55Å; I743-L746 PolarHBondContact O-N 3Å; I744-L746 PolarHBondContact O-N 3.19Å; L746-L838 HydrophobicContact CD2-CD2 3.94Å
747	C	96.2	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-71.5	168.2	177.3	83.5	0	0	0	0	112.7	L661 L664 I743 I744 K754	L661-C747 WeakPolarHBondContact O-CA 3.3Å; L664-C747 HydrophobicContact CD2-CB 4.44Å; L664-C747 HydrophobicContact CG-CB 4.37Å; L664-C747 WeakPolarHBondContact O-CB 3.21Å; I743-C747 WeakPolarHBondContact O-CB 3.4Å; I743-C747 PolarHBondContact O-N 2.79Å; I744-C747 PolarHBondContact O-N 3.11Å; I744-C747 PolarHBondContact O-SG 3.33Å; I744-C747 VanDerWaalsContact O-SG 3.35Å; C747-K754 WeakPolarHBondContact O-CE 3.36Å; C747-K754 PolarHBondContact O-NZ 3.42Å
748	K	94.1	Very high	95	Very high	136 Å²	136	32.9 Å²	32.9	59%	0.591	15%	0.153	S	C	*	.	B	Isolated β-bridge	trans	-85.2	111.2	172.3	-175.4	-177	176.7	-178.2	0	111.1	D662 L664 L666	D662-K748 WeakPolarHBondContact O-CB 3.3Å; D662-K748 WeakPolarHBondContact O-CD 3.46Å; L664-K748 WeakPolarHBondContact O-CB 3.26Å; L664-K748 PolarHBondContact O-N 3.16Å; L666-K748 PolarHBondContact N-O 2.9Å
749	A	94.6	Very high	95	Very high	28 Å²	28	32.9 Å²	32.9	23%	0.231	15%	0.153	C	C	.	.	S	Bend	trans	-161.7	169.4	176.9	0	0	0	0	0	112	L666 K754 H839	L666-A749 HydrophobicContact CB-CB 3.81Å; L666-A749 HydrophobicContact CD2-CB 4.24Å; A749-K754 HydrophobicContact CB-CG 3.93Å; A749-H839 PolarHBondContact O-CE1 3.11Å
750	H	92.8	Very high	94.9	Very high	148 Å²	148	40.3 Å²	40.3	69%	0.685	19%	0.185	S	C	*	.			trans	-66.9	144.9	164.6	-69.4	-71.8	0	0	0	110.3	E752 D753 K754	H750-E752 VanDerWaalsContact C-N 3.34Å; H750-E752 PolarHBondContact O-N 3.03Å; H750-D753 WeakPolarHBondContact CB-OD2 3.41Å; H750-D753 IonicContact CD2-OD2 3.2Å; H750-D753 PolarHBondContact O-N 3.41Å; H750-K754 PolarHBondContact O-N 2.68Å
751	L	91.6	Very high	94.8	Very high	45 Å²	45	41.2 Å²	41.2	24%	0.236	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-41.1	-174.7	-178.2	67.1	0	0	0	112.5	D753 K754 Y755 L835 P836	L751-D753 VanDerWaalsContact C-N 3.32Å; L751-D753 PolarHBondContact O-N 3.26Å; L751-K754 PolarHBondContact O-N 3.03Å; L751-Y755 HydrophobicContact CD1-CD1 4.42Å; L751-Y755 HydrophobicContact CD1-CE1 3.66Å; L751-Y755 HydrophobicContact CD1-CE2 4.11Å; L751-Y755 VanDerWaalsContact CD1-CZ 3.5Å; L751-Y755 HydrophobicContact CD2-CE2 3.9Å; L751-Y755 HydrophobicContact CG-CD2 4.28Å; L751-Y755 HydrophobicContact CG-CE1 4.12Å; L751-Y755 HydrophobicContact CG-CE2 3.64Å; L751-Y755 PolarHBondContact O-N 3.36Å; L751-Y755 VanDerWaalsContact O-N 3.09Å; L751-L835 HydrophobicContact CD1-CG 4.08Å; L751-P836 HydrophobicContact CD2-CB 3.74Å
752	E	93.2	Very high	94.6	Very high	76 Å²	76	41.6 Å²	41.6	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-36.8	178.9	-169	170.3	142	0	0	111.9	H750 Y755 R756 L822 R826	H750-E752 VanDerWaalsContact C-N 3.34Å; H750-E752 PolarHBondContact O-N 3.03Å; E752-Y755 PolarHBondContact O-N 3.05Å; E752-R756 WeakPolarHBondContact O-CB 3.42Å; E752-R756 PolarHBondContact O-N 3.4Å; E752-R756 IonicContact OE1-NH2 3.67Å; E752-L822 HydrophobicContact CG-CD1 4.08Å; E752-L822 HydrophobicContact CG-CD2 4.05Å; E752-R826 IonicContact OE1-NH2 2.7Å; E752-R826 IonicContact OE2-CZ 3.78Å; E752-R826 IonicContact OE2-NH2 2.89Å; E752-R826 PolarHBondContact OE2-NH2 3.09Å
753	D	95	Very high	94.5	Very high	71 Å²	71	42.4 Å²	42.4	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-65.4	-40.1	177.2	-63.4	-27.9	0	0	0	111.5	L666 H750 L751 R756 Y757	L666-D753 HydrophobicContact CD2-CB 3.81Å; H750-D753 WeakPolarHBondContact CB-OD2 3.41Å; H750-D753 IonicContact CD2-OD2 3.2Å; H750-D753 PolarHBondContact O-N 3.41Å; L751-D753 VanDerWaalsContact C-N 3.32Å; L751-D753 PolarHBondContact O-N 3.26Å; D753-R756 PolarHBondContact O-N 3.39Å; D753-Y757 WeakPolarHBondContact O-CB 3.25Å; D753-Y757 PolarHBondContact O-N 3Å
754	K	95.2	Very high	94.1	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-47.7	173.8	-67.6	-174.7	174.1	-175.8	0	111.4	I744 S745 C747 A749 H750 L751 R756 Y757 L758 H839	I744-K754 HydrophobicContact CG2-CG 4.48Å; I744-K754 WeakPolarHBondContact O-CD 3.49Å; I744-K754 WeakPolarHBondContact O-CE 3.48Å; S745-K754 PolarHBondContact O-NZ 3.37Å; C747-K754 WeakPolarHBondContact O-CE 3.36Å; C747-K754 PolarHBondContact O-NZ 3.42Å; A749-K754 HydrophobicContact CB-CG 3.93Å; H750-K754 PolarHBondContact O-N 2.68Å; L751-K754 PolarHBondContact O-N 3.03Å; K754-R756 VanDerWaalsContact C-N 3.33Å; K754-R756 PolarHBondContact O-N 3.35Å; K754-Y757 PolarHBondContact O-N 2.98Å; K754-L758 WeakPolarHBondContact O-CB 3.38Å; K754-L758 VanDerWaalsContact O-CG 3.28Å; K754-L758 WeakPolarHBondContact O-CG 3.3Å; K754-L758 PolarHBondContact O-N 2.91Å; K754-H839 WeakPolarHBondContact CD-NE2 3.32Å; K754-H839 WeakPolarHBondContact CE-NE2 3.41Å; K754-H839 PolarHBondContact NZ-CE1 3.19Å; K754-H839 PolarHBondContact NZ-NE2 3.11Å
755	Y	95.3	Very high	93.5	Very high	13 Å²	13	49.8 Å²	49.8	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-42.9	178.4	-65.2	-20.5	0	0	0	112.1	L751 E752 L758 F759 L822 M825 L835 P836	L751-Y755 HydrophobicContact CD1-CD1 4.42Å; L751-Y755 HydrophobicContact CD1-CE1 3.66Å; L751-Y755 HydrophobicContact CD1-CE2 4.11Å; L751-Y755 VanDerWaalsContact CD1-CZ 3.5Å; L751-Y755 HydrophobicContact CD2-CE2 3.9Å; L751-Y755 HydrophobicContact CG-CD2 4.28Å; L751-Y755 HydrophobicContact CG-CE1 4.12Å; L751-Y755 HydrophobicContact CG-CE2 3.64Å; L751-Y755 PolarHBondContact O-N 3.36Å; L751-Y755 VanDerWaalsContact O-N 3.09Å; E752-Y755 PolarHBondContact O-N 3.05Å; Y755-L758 PolarHBondContact O-N 3.38Å; Y755-F759 WeakPolarHBondContact O-CB 3.4Å; Y755-F759 PolarHBondContact O-N 3.45Å; Y755-L822 HydrophobicContact CD2-CD2 4.16Å; Y755-L822 HydrophobicContact CG-CD2 4.29Å; Y755-M825 HydrophobicContact CD1-CE 3.66Å; Y755-M825 HydrophobicContact CD2-CB 3.86Å; Y755-M825 HydrophobicContact CD2-CE 4.33Å; Y755-M825 HydrophobicContact CD2-CG 4.39Å; Y755-M825 HydrophobicContact CE1-CE 3.23Å; Y755-M825 HydrophobicContact CE2-CB 3.77Å; Y755-M825 HydrophobicContact CE2-CE 3.96Å; Y755-M825 HydrophobicContact CG-CB 4.5Å; Y755-M825 HydrophobicContact CG-CE 4.18Å; Y755-L835 HydrophobicContact CD1-CD2 4.34Å; Y755-L835 HydrophobicContact CE1-CD2 3.76Å; Y755-L835 HydrophobicContact CE1-CG 4.2Å; Y755-P836 WeakPolarHBondContact OH-CD 3.4Å
756	R	95.5	Very high	93	Very high	122 Å²	122	54.5 Å²	54.5	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-43.1	177	-173.1	-179.2	-66.4	-86.9	-0.6	111.4	E752 D753 K754 K760	E752-R756 WeakPolarHBondContact O-CB 3.42Å; E752-R756 PolarHBondContact O-N 3.4Å; E752-R756 IonicContact OE1-NH2 3.67Å; D753-R756 PolarHBondContact O-N 3.39Å; K754-R756 VanDerWaalsContact C-N 3.33Å; K754-R756 PolarHBondContact O-N 3.35Å; R756-K760 WeakPolarHBondContact O-CB 3.4Å; R756-K760 PolarHBondContact O-N 3.04Å
757	Y	95.1	Very high	92.7	Very high	33 Å²	33	56.3 Å²	56.3	13%	0.129	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-51.3	176.2	-178.5	-82.4	0	0	0	111.5	L666 C670 L673 I744 D753 K754 F759 K760 Q761	L666-Y757 HydrophobicContact CD1-CD2 4.24Å; L666-Y757 HydrophobicContact CD1-CG 4.34Å; C670-Y757 VanDerWaalsContact SG-CE2 3.53Å; L673-Y757 WeakPolarHBondContact CD1-OH 3.39Å; I744-Y757 HydrophobicContact CB-CD1 4.23Å; I744-Y757 HydrophobicContact CB-CE1 4.34Å; I744-Y757 HydrophobicContact CD1-CE1 4.35Å; I744-Y757 HydrophobicContact CG1-CD1 3.87Å; I744-Y757 HydrophobicContact CG1-CE1 3.55Å; I744-Y757 HydrophobicContact CG2-CD1 3.76Å; I744-Y757 HydrophobicContact CG2-CE1 4.34Å; I744-Y757 HydrophobicContact CG2-CG 4.26Å; D753-Y757 WeakPolarHBondContact O-CB 3.25Å; D753-Y757 PolarHBondContact O-N 3Å; K754-Y757 PolarHBondContact O-N 2.98Å; Y757-F759 VanDerWaalsContact C-N 3.35Å; Y757-F759 PolarHBondContact O-N 3.21Å; Y757-K760 WeakPolarHBondContact O-CB 3.45Å; Y757-K760 PolarHBondContact O-N 3.29Å; Y757-K760 VanDerWaalsContact O-N 3.13Å; Y757-Q761 HydrophobicContact CD1-CG 4.03Å; Y757-Q761 HydrophobicContact CE1-CG 3.61Å; Y757-Q761 VanDerWaalsContact CZ-NE2 3.28Å; Y757-Q761 WeakPolarHBondContact O-CG 3.39Å; Y757-Q761 PolarHBondContact O-N 3.5Å; Y757-Q761 VanDerWaalsContact O-N 3.16Å
758	L	94.7	Very high	92.5	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-43.5	-178.7	-72.1	175.2	0	0	0	111.6	T741 I744 K754 Y755 K760 Q761 L777	T741-L758 HydrophobicContact CG2-CD2 4.24Å; I744-L758 HydrophobicContact CB-CD2 4.47Å; I744-L758 HydrophobicContact CG2-CD2 4.42Å; I744-L758 HydrophobicContact CG2-CG 4.49Å; K754-L758 WeakPolarHBondContact O-CB 3.38Å; K754-L758 VanDerWaalsContact O-CG 3.28Å; K754-L758 WeakPolarHBondContact O-CG 3.3Å; K754-L758 PolarHBondContact O-N 2.91Å; Y755-L758 PolarHBondContact O-N 3.38Å; L758-K760 VanDerWaalsContact C-N 3.34Å; L758-K760 PolarHBondContact O-N 3.05Å; L758-Q761 PolarHBondContact O-N 3.3Å; L758-L777 HydrophobicContact CB-CD1 3.92Å; L758-L777 HydrophobicContact CB-CD2 4.11Å; L758-L777 HydrophobicContact CD2-CD1 4.17Å; L758-L777 HydrophobicContact CG-CD1 4.47Å
759	F	95.4	Very high	92.5	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-43.6	174.4	-176.1	-91.8	0	0	0	111.9	Y755 Y757 Q761 V762 A763 C769 I816 A818 F821	Y755-F759 WeakPolarHBondContact O-CB 3.4Å; Y755-F759 PolarHBondContact O-N 3.45Å; Y757-F759 VanDerWaalsContact C-N 3.35Å; Y757-F759 PolarHBondContact O-N 3.21Å; F759-Q761 PolarHBondContact O-N 2.66Å; F759-V762 WeakPolarHBondContact O-CG2 3.38Å; F759-V762 PolarHBondContact O-N 3.47Å; F759-V762 VanDerWaalsContact O-N 3.1Å; F759-A763 HydrophobicContact CD1-CB 4.21Å; F759-A763 HydrophobicContact CE1-CB 3.94Å; F759-A763 WeakPolarHBondContact O-CB 3.41Å; F759-A763 PolarHBondContact O-N 3.37Å; F759-C769 HydrophobicContact CD2-CB 4.48Å; F759-C769 HydrophobicContact CE1-CB 4.34Å; F759-C769 HydrophobicContact CE2-CB 3.51Å; F759-C769 HydrophobicContact CZ-CB 3.42Å; F759-C769 VanDerWaalsContact CZ-CB 3.42Å; F759-I816 HydrophobicContact CE2-CD1 4.12Å; F759-I816 HydrophobicContact CE2-CG1 4.05Å; F759-I816 HydrophobicContact CZ-CG1 4.31Å; F759-I816 WeakPolarHBondContact CZ-O 3.37Å; F759-A818 HydrophobicContact CD1-CB 3.59Å; F759-A818 VanDerWaalsContact CE1-CA 3.46Å; F759-A818 HydrophobicContact CE1-CB 3.72Å; F759-A818 VanDerWaalsContact CE1-N 3.29Å; F759-A818 HydrophobicContact CG-CB 4.38Å; F759-F821 HydrophobicContact CB-CD1 3.73Å; F759-F821 HydrophobicContact CB-CE1 3.88Å; F759-F821 HydrophobicContact CB-CG 4.47Å; F759-F821 HydrophobicContact CD2-CB 3.54Å; F759-F821 AromaticContact CD2-CD1 3.5Å; F759-F821 HydrophobicContact CD2-CD1 3.5Å; F759-F821 VanDerWaalsContact CD2-CD1 3.5Å; F759-F821 AromaticContact CD2-CD2 3.9Å; F759-F821 HydrophobicContact CD2-CD2 3.9Å; F759-F821 HydrophobicContact CD2-CE1 4.14Å; F759-F821 HydrophobicContact CD2-CE2 4.5Å; F759-F821 AromaticContact CD2-CG 3.35Å; F759-F821 HydrophobicContact CD2-CG 3.35Å; F759-F821 HydrophobicContact CE2-CB 3.58Å; F759-F821 HydrophobicContact CE2-CD1 4.41Å; F759-F821 HydrophobicContact CE2-CD2 4.34Å; F759-F821 AromaticContact CE2-CG 3.87Å; F759-F821 HydrophobicContact CE2-CG 3.87Å; F759-F821 HydrophobicContact CG-CB 4.36Å; F759-F821 AromaticContact CG-CD1 3.88Å; F759-F821 HydrophobicContact CG-CD1 3.88Å; F759-F821 HydrophobicContact CG-CE1 4.44Å; F759-F821 HydrophobicContact CG-CG 4.17Å; F759-F821 HydrophobicContact CZ-CB 4.44Å
760	K	93.9	Very high	92.4	Very high	155 Å²	155	53.7 Å²	53.7	67%	0.674	28%	0.283	S	S	*	.	H	α-helix	trans	-59.9	-29.2	177.9	-173.7	-178.4	177.2	-174	0	112.6	R756 Y757 L758 V762	R756-K760 WeakPolarHBondContact O-CB 3.4Å; R756-K760 PolarHBondContact O-N 3.04Å; Y757-K760 WeakPolarHBondContact O-CB 3.45Å; Y757-K760 PolarHBondContact O-N 3.29Å; Y757-K760 VanDerWaalsContact O-N 3.13Å; L758-K760 VanDerWaalsContact C-N 3.34Å; L758-K760 PolarHBondContact O-N 3.05Å; K760-V762 VanDerWaalsContact C-N 3.31Å; K760-V762 PolarHBondContact O-N 3.06Å
761	Q	93.3	Very high	92.3	Very high	29 Å²	29	50.9 Å²	50.9	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-70.3	-25.5	178	-60.7	-47.1	-56.7	0	0	113.4	N681 L737 K740 Y757 L758 F759	N681-Q761 PolarHBondContact ND2-O 2.86Å; N681-Q761 PolarHBondContact ND2-OE1 2.84Å; N681-Q761 PolarHBondContact OD1-OE1 2.92Å; L737-Q761 HydrophobicContact CD1-CB 3.69Å; K740-Q761 HydrophobicContact CD-CG 4.39Å; Y757-Q761 HydrophobicContact CD1-CG 4.03Å; Y757-Q761 HydrophobicContact CE1-CG 3.61Å; Y757-Q761 VanDerWaalsContact CZ-NE2 3.28Å; Y757-Q761 WeakPolarHBondContact O-CG 3.39Å; Y757-Q761 PolarHBondContact O-N 3.5Å; Y757-Q761 VanDerWaalsContact O-N 3.16Å; L758-Q761 PolarHBondContact O-N 3.3Å; F759-Q761 PolarHBondContact O-N 2.66Å
762	V	92.8	Very high	92.2	Very high	8 Å²	8	56.7 Å²	56.7	5%	0.048	29%	0.289	C	S	.	.	H	α-helix	trans	-106.7	-16.5	179.8	-65.3	0	0	0	0	113.5	L737 F759 K760 R773 L777	L737-V762 HydrophobicContact CD1-CG1 3.97Å; L737-V762 HydrophobicContact CD2-CG1 3.95Å; F759-V762 WeakPolarHBondContact O-CG2 3.38Å; F759-V762 PolarHBondContact O-N 3.47Å; F759-V762 VanDerWaalsContact O-N 3.1Å; K760-V762 VanDerWaalsContact C-N 3.31Å; K760-V762 PolarHBondContact O-N 3.06Å; V762-R773 HydrophobicContact CB-CB 4.21Å; V762-R773 WeakPolarHBondContact O-CB 3.32Å; V762-R773 VanDerWaalsContact O-CD 3.25Å; V762-R773 WeakPolarHBondContact O-CD 3.29Å; V762-R773 WeakPolarHBondContact O-CG 3.3Å; V762-R773 PolarHBondContact O-NH1 3.19Å; V762-L777 HydrophobicContact CB-CB 4.49Å; V762-L777 HydrophobicContact CG1-CB 3.81Å; V762-L777 HydrophobicContact CG2-CB 3.99Å; V762-L777 HydrophobicContact CG2-CD2 4.05Å
763	A	92.3	Very high	92	Very high	18 Å²	18	57.4 Å²	57.4	15%	0.149	29%	0.288	C	S	.	.	S	Bend	trans	-60.6	150.3	173.1	0	0	0	0	0	112.1	F759 F768	F759-A763 HydrophobicContact CD1-CB 4.21Å; F759-A763 HydrophobicContact CE1-CB 3.94Å; F759-A763 WeakPolarHBondContact O-CB 3.41Å; F759-A763 PolarHBondContact O-N 3.37Å; A763-F768 CarbonylContact C-O 3.58Å; A763-F768 WeakPolarHBondContact CA-O 3.4Å
764	S	88.1	Confident	91.9	Very high	21 Å²	21	54 Å²	54	15%	0.147	27%	0.27	C	S	.	.			trans	-65.7	169.6	171.3	65.9	0	0	0	0	111.3	T766 G767 F768 R773	S764-T766 PolarHBondContact O-N 3.1Å; S764-T766 VanDerWaalsContact O-N 3.11Å; S764-T766 PolarHBondContact OG-N 3.43Å; S764-T766 PolarHBondContact OG-OG1 2.89Å; S764-G767 PolarHBondContact O-N 2.89Å; S764-G767 PolarHBondContact OG-N 3.49Å; S764-F768 PolarHBondContact N-O 3.33Å; S764-F768 PolarHBondContact OG-N 2.87Å; S764-F768 PolarHBondContact OG-O 2.91Å; S764-F768 VanDerWaalsContact OG-O 3.12Å; S764-R773 VanDerWaalsContact CA-NH1 3.32Å
765	S	83.8	Confident	91.6	Very high	134 Å²	134	54.4 Å²	54.4	94%	0.937	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.4	169.9	50.6	0	0	0	0	113.1
766	T	85.1	Confident	91.4	Very high	99 Å²	99	56.4 Å²	56.4	61%	0.607	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.5	175.7	56.1	0	0	0	0	113.7	S764 F768	S764-T766 PolarHBondContact O-N 3.1Å; S764-T766 VanDerWaalsContact O-N 3.11Å; S764-T766 PolarHBondContact OG-N 3.43Å; S764-T766 PolarHBondContact OG-OG1 2.89Å; T766-F768 WeakPolarHBondContact O-CD2 3.27Å
767	G	88.8	Confident	91.3	Very high	38 Å²	38	50.7 Å²	50.7	39%	0.392	27%	0.265	S	S	.	.	S	Bend	trans	88.1	8.9	176.9	0	0	0	0	0	115.4	S764	S764-G767 PolarHBondContact O-N 2.89Å; S764-G767 PolarHBondContact OG-N 3.49Å
768	F	92.9	Very high	91.2	Very high	65 Å²	65	49.1 Å²	49.1	29%	0.285	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.6	-178.4	-67.9	-87.7	0	0	0	111.8	A763 S764 T766 E815 I816 E817	A763-F768 CarbonylContact C-O 3.58Å; A763-F768 WeakPolarHBondContact CA-O 3.4Å; S764-F768 PolarHBondContact N-O 3.33Å; S764-F768 PolarHBondContact OG-N 2.87Å; S764-F768 PolarHBondContact OG-O 2.91Å; S764-F768 VanDerWaalsContact OG-O 3.12Å; T766-F768 WeakPolarHBondContact O-CD2 3.27Å; F768-E815 HydrophobicContact CB-CB 4.1Å; F768-E815 WeakPolarHBondContact CB-OE2 3.19Å; F768-E815 HydrophobicContact CD1-CB 4.38Å; F768-I816 WeakPolarHBondContact CA-O 3.48Å; F768-E817 HydrophobicContact CD1-CG 3.62Å; F768-E817 HydrophobicContact CE1-CG 3.27Å; F768-E817 WeakPolarHBondContact CE1-OE1 3.25Å; F768-E817 HydrophobicContact CZ-CG 4.02Å; F768-E817 WeakPolarHBondContact CZ-OE1 3.46Å
769	C	93.7	Very high	91	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.2	-179	-171.1	0	0	0	0	110.7	F759 R773 L774 E815 I816	F759-C769 HydrophobicContact CD2-CB 4.48Å; F759-C769 HydrophobicContact CE1-CB 4.34Å; F759-C769 HydrophobicContact CE2-CB 3.51Å; F759-C769 HydrophobicContact CZ-CB 3.42Å; F759-C769 VanDerWaalsContact CZ-CB 3.42Å; C769-R773 VanDerWaalsContact SG-CB 3.52Å; C769-L774 PolarHBondContact SG-N 3.4Å; C769-L774 VanDerWaalsContact SG-N 3.4Å; C769-E815 CarbonylContact O-C 3.24Å; C769-E815 WeakPolarHBondContact O-CA 3.34Å; C769-I816 HydrophobicContact CB-CG1 4.13Å; C769-I816 PolarHBondContact N-O 3.38Å; C769-I816 WeakPolarHBondContact O-CG1 3.36Å; C769-I816 PolarHBondContact O-N 3.18Å
770	D	92.2	Very high	90.8	Very high	44 Å²	44	52.5 Å²	52.5	24%	0.235	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	175.2	175.1	66	36.3	0	0	0	111.9	R772 R773 L774 E815	D770-R772 VanDerWaalsContact C-N 3.28Å; D770-R772 PolarHBondContact O-N 3.1Å; D770-R772 WeakPolarHBondContact OD1-CA 3.44Å; D770-R772 WeakPolarHBondContact OD1-CB 3.46Å; D770-R772 PolarHBondContact OD1-N 3.01Å; D770-R773 PolarHBondContact O-N 3.33Å; D770-R773 WeakPolarHBondContact OD1-CB 3.39Å; D770-R773 WeakPolarHBondContact OD1-CG 3.02Å; D770-R773 PolarHBondContact OD1-N 3.13Å; D770-R773 WeakPolarHBondContact OD2-CD 3.08Å; D770-R773 IonicContact OD2-NE 3.83Å; D770-R773 PolarHBondContact OD2-NE 3.23Å; D770-L774 WeakPolarHBondContact O-CB 3.31Å; D770-L774 PolarHBondContact O-N 3.09Å; D770-E815 HydrophobicContact CB-CG 4.39Å
771	Q	90.6	Very high	90.8	Very high	90 Å²	90	45.1 Å²	45.1	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-37.3	-179.3	-70.5	-177.1	9.4	0	0	112.9	G775 V803 F807	Q771-G775 PolarHBondContact O-N 2.97Å; Q771-V803 HydrophobicContact CB-CG1 3.86Å; Q771-V803 HydrophobicContact CG-CG1 4.07Å; Q771-F807 HydrophobicContact CB-CE2 4.18Å; Q771-F807 HydrophobicContact CB-CZ 4.31Å; Q771-F807 HydrophobicContact CG-CD1 3.7Å; Q771-F807 HydrophobicContact CG-CD2 3.61Å; Q771-F807 HydrophobicContact CG-CE1 3.71Å; Q771-F807 HydrophobicContact CG-CE2 3.6Å; Q771-F807 HydrophobicContact CG-CG 3.67Å; Q771-F807 HydrophobicContact CG-CZ 3.67Å; Q771-F807 VanDerWaalsContact N-CZ 3.3Å
772	R	88.9	Confident	90.8	Very high	166 Å²	166	43.8 Å²	43.8	63%	0.626	24%	0.236	S	C	*	.	H	α-helix	trans	-68.9	-48.2	-178.3	177.6	179.6	173.5	154.9	-0.9	110.7	D770 G775 L776	D770-R772 VanDerWaalsContact C-N 3.28Å; D770-R772 PolarHBondContact O-N 3.1Å; D770-R772 WeakPolarHBondContact OD1-CA 3.44Å; D770-R772 WeakPolarHBondContact OD1-CB 3.46Å; D770-R772 PolarHBondContact OD1-N 3.01Å; R772-G775 WeakPolarHBondContact O-CA 3.4Å; R772-G775 PolarHBondContact O-N 3.02Å; R772-G775 VanDerWaalsContact O-N 3.17Å; R772-L776 WeakPolarHBondContact O-CG 3.21Å; R772-L776 PolarHBondContact O-N 3.14Å
773	R	90.4	Very high	90.8	Very high	91 Å²	91	44.2 Å²	44.2	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-43.8	178.5	-73.2	164.6	-176.6	-102.2	2.7	111.7	V762 S764 C769 D770 G775 L776 L777	V762-R773 HydrophobicContact CB-CB 4.21Å; V762-R773 WeakPolarHBondContact O-CB 3.32Å; V762-R773 VanDerWaalsContact O-CD 3.25Å; V762-R773 WeakPolarHBondContact O-CD 3.29Å; V762-R773 WeakPolarHBondContact O-CG 3.3Å; V762-R773 PolarHBondContact O-NH1 3.19Å; S764-R773 VanDerWaalsContact CA-NH1 3.32Å; C769-R773 VanDerWaalsContact SG-CB 3.52Å; D770-R773 PolarHBondContact O-N 3.33Å; D770-R773 WeakPolarHBondContact OD1-CB 3.39Å; D770-R773 WeakPolarHBondContact OD1-CG 3.02Å; D770-R773 PolarHBondContact OD1-N 3.13Å; D770-R773 WeakPolarHBondContact OD2-CD 3.08Å; D770-R773 IonicContact OD2-NE 3.83Å; D770-R773 PolarHBondContact OD2-NE 3.23Å; R773-G775 VanDerWaalsContact C-N 3.3Å; R773-G775 PolarHBondContact O-N 3.46Å; R773-L776 PolarHBondContact O-N 3.03Å; R773-L777 PolarHBondContact O-N 3.38Å
774	L	92.1	Very high	90.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-40.8	173.3	-177.7	62.5	0	0	0	111.1	C769 D770 L776 L777 L778 C806 F807 I816 F821	C769-L774 PolarHBondContact SG-N 3.4Å; C769-L774 VanDerWaalsContact SG-N 3.4Å; D770-L774 WeakPolarHBondContact O-CB 3.31Å; D770-L774 PolarHBondContact O-N 3.09Å; L774-L776 VanDerWaalsContact C-N 3.32Å; L774-L776 PolarHBondContact O-N 3.4Å; L774-L777 PolarHBondContact O-N 3.39Å; L774-L778 HydrophobicContact CD1-CD1 4.47Å; L774-L778 HydrophobicContact CD1-CG 4.32Å; L774-L778 HydrophobicContact CG-CD1 4.15Å; L774-L778 HydrophobicContact CG-CG 4.38Å; L774-L778 WeakPolarHBondContact O-CG 3.5Å; L774-L778 PolarHBondContact O-N 3.02Å; L774-C806 HydrophobicContact CD2-CB 3.69Å; L774-F807 HydrophobicContact CB-CE2 4.24Å; L774-F807 HydrophobicContact CD2-CD2 4.09Å; L774-F807 HydrophobicContact CD2-CE2 3.65Å; L774-I816 HydrophobicContact CD2-CD1 4.11Å; L774-F821 HydrophobicContact CD1-CD2 3.92Å; L774-F821 HydrophobicContact CD1-CE2 3.66Å
775	G	89.4	Confident	91.1	Very high	10 Å²	10	42.3 Å²	42.3	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-41.6	174.7	0	0	0	0	0	113.1	Q771 R772 R773 L778 H779	Q771-G775 PolarHBondContact O-N 2.97Å; R772-G775 WeakPolarHBondContact O-CA 3.4Å; R772-G775 PolarHBondContact O-N 3.02Å; R772-G775 VanDerWaalsContact O-N 3.17Å; R773-G775 VanDerWaalsContact C-N 3.3Å; R773-G775 PolarHBondContact O-N 3.46Å; G775-L778 PolarHBondContact O-N 3.37Å; G775-H779 WeakPolarHBondContact O-CB 3.22Å; G775-H779 PolarHBondContact O-N 2.87Å
776	L	90.3	Very high	91.4	Very high	56 Å²	56	41.8 Å²	41.8	29%	0.293	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-45.6	175.5	-68.4	172.9	0	0	0	112.2	L737 R772 R773 L774 H779 D780	L737-L776 HydrophobicContact CD2-CB 4.31Å; R772-L776 WeakPolarHBondContact O-CG 3.21Å; R772-L776 PolarHBondContact O-N 3.14Å; R773-L776 PolarHBondContact O-N 3.03Å; L774-L776 VanDerWaalsContact C-N 3.32Å; L774-L776 PolarHBondContact O-N 3.4Å; L776-H779 PolarHBondContact O-N 3.34Å; L776-D780 PolarHBondContact O-N 3.48Å
777	L	93.3	Very high	91.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-46.4	178.1	175.3	61.4	0	0	0	111.8	T741 L758 V762 R773 L774 H779 D780 S781 F821	T741-L777 HydrophobicContact CG2-CD1 4.5Å; L758-L777 HydrophobicContact CB-CD1 3.92Å; L758-L777 HydrophobicContact CB-CD2 4.11Å; L758-L777 HydrophobicContact CD2-CD1 4.17Å; L758-L777 HydrophobicContact CG-CD1 4.47Å; V762-L777 HydrophobicContact CB-CB 4.49Å; V762-L777 HydrophobicContact CG1-CB 3.81Å; V762-L777 HydrophobicContact CG2-CB 3.99Å; V762-L777 HydrophobicContact CG2-CD2 4.05Å; R773-L777 PolarHBondContact O-N 3.38Å; L774-L777 PolarHBondContact O-N 3.39Å; L777-H779 VanDerWaalsContact C-N 3.32Å; L777-D780 PolarHBondContact O-N 3.29Å; L777-S781 VanDerWaalsContact O-CB 3.3Å; L777-S781 WeakPolarHBondContact O-CB 3.18Å; L777-S781 PolarHBondContact O-N 2.84Å; L777-S781 PolarHBondContact O-OG 3.15Å; L777-F821 HydrophobicContact CD2-CZ 4.24Å
778	L	92.6	Very high	91.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-36.6	179.7	-67.2	-178.2	0	0	0	111.4	L774 G775 S781 I782 I799 V803 W824 M832	L774-L778 HydrophobicContact CD1-CD1 4.47Å; L774-L778 HydrophobicContact CD1-CG 4.32Å; L774-L778 HydrophobicContact CG-CD1 4.15Å; L774-L778 HydrophobicContact CG-CG 4.38Å; L774-L778 WeakPolarHBondContact O-CG 3.5Å; L774-L778 PolarHBondContact O-N 3.02Å; G775-L778 PolarHBondContact O-N 3.37Å; L778-S781 PolarHBondContact O-N 3.48Å; L778-I782 WeakPolarHBondContact O-CB 3.41Å; L778-I782 PolarHBondContact O-N 3.12Å; L778-I799 HydrophobicContact CB-CB 4.15Å; L778-I799 HydrophobicContact CB-CG2 4.19Å; L778-V803 HydrophobicContact CD1-CG2 3.85Å; L778-W824 HydrophobicContact CD1-CH2 4.19Å; L778-W824 HydrophobicContact CD2-CH2 4.37Å; L778-M832 HydrophobicContact CD2-CG 3.63Å; L778-M832 HydrophobicContact CD2-SD 3.8Å
779	H	90.7	Very high	91.6	Very high	76 Å²	76	37.2 Å²	37.2	35%	0.352	18%	0.178	S	C	.	.	H	α-helix	trans	-62.8	-44.2	174.1	178.5	-85.8	0	0	0	112.1	G775 L776 L777 S781 I782 Q783 I799	G775-H779 WeakPolarHBondContact O-CB 3.22Å; G775-H779 PolarHBondContact O-N 2.87Å; L776-H779 PolarHBondContact O-N 3.34Å; L777-H779 VanDerWaalsContact C-N 3.32Å; H779-S781 VanDerWaalsContact C-N 3.34Å; H779-I782 WeakPolarHBondContact O-CG2 3.37Å; H779-Q783 PolarHBondContact CE1-NE2 3.1Å; H779-Q783 VanDerWaalsContact CE1-NE2 3.29Å; H779-Q783 PolarHBondContact NE2-NE2 3.35Å; H779-Q783 WeakPolarHBondContact O-CG 3.49Å; H779-Q783 PolarHBondContact O-N 3.47Å; H779-Q783 PolarHBondContact O-NE2 3.13Å; H779-I799 HydrophobicContact CB-CG1 4.32Å
780	D	92.6	Very high	91.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-34.5	177.9	-76.2	14.2	0	0	0	111.7	Y726 R735 S738 T741 L776 L777 Q783	Y726-D780 HydrophobicContact CE1-CB 4.12Å; Y726-D780 VanDerWaalsContact CE1-O 3.27Å; Y726-D780 WeakPolarHBondContact CE1-O 2.91Å; Y726-D780 PolarHBondContact OH-O 3.48Å; R735-D780 IonicContact CZ-OD1 2.65Å; R735-D780 IonicContact CZ-OD2 3.82Å; R735-D780 IonicContact NH2-OD1 2.83Å; R735-D780 PolarHBondContact NH2-OD1 2.76Å; R735-D780 IonicContact NH2-OD2 3.73Å; R735-D780 PolarHBondContact NH2-OD2 3.34Å; S738-D780 WeakPolarHBondContact CA-OD2 3.47Å; S738-D780 WeakPolarHBondContact CB-OD2 3.28Å; S738-D780 PolarHBondContact N-OD2 3.4Å; S738-D780 PolarHBondContact OG-OD2 3.49Å; T741-D780 HydrophobicContact CG2-CB 4.12Å; L776-D780 PolarHBondContact O-N 3.48Å; L777-D780 PolarHBondContact O-N 3.29Å; D780-Q783 PolarHBondContact O-N 3.48Å
781	S	93.9	Very high	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-36.6	177.8	-59.8	0	0	0	0	112.1	L777 L778 H779 Q783 I784 P785 M832 W834	L777-S781 VanDerWaalsContact O-CB 3.3Å; L777-S781 WeakPolarHBondContact O-CB 3.18Å; L777-S781 PolarHBondContact O-N 2.84Å; L777-S781 PolarHBondContact O-OG 3.15Å; L778-S781 PolarHBondContact O-N 3.48Å; H779-S781 VanDerWaalsContact C-N 3.34Å; S781-Q783 VanDerWaalsContact C-N 3.3Å; S781-Q783 PolarHBondContact O-N 2.86Å; S781-I784 PolarHBondContact O-N 3.01Å; S781-P785 VanDerWaalsContact O-CD 3.28Å; S781-P785 WeakPolarHBondContact O-CD 3.42Å; S781-M832 WeakPolarHBondContact CB-SD 3.33Å; S781-W834 WeakPolarHBondContact O-CZ2 3.3Å
782	I	92	Very high	90.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-74.8	-17	-179.5	-153.2	70.5	0	0	0	113	L778 H779 I784 P785 R786 V791 F794 I799 S831	L778-I782 WeakPolarHBondContact O-CB 3.41Å; L778-I782 PolarHBondContact O-N 3.12Å; H779-I782 WeakPolarHBondContact O-CG2 3.37Å; I782-I784 PolarHBondContact O-N 3.02Å; I782-P785 HydrophobicContact CD1-CG 4.01Å; I782-P785 HydrophobicContact CG1-CG 4.41Å; I782-P785 VanDerWaalsContact O-CD 3.24Å; I782-P785 WeakPolarHBondContact O-CD 3.44Å; I782-P785 VanDerWaalsContact O-CG 3.3Å; I782-P785 WeakPolarHBondContact O-CG 3.33Å; I782-R786 WeakPolarHBondContact O-CB 3.41Å; I782-R786 PolarHBondContact O-N 2.93Å; I782-V791 HydrophobicContact CG1-CG2 3.93Å; I782-F794 HydrophobicContact CD1-CB 3.76Å; I782-I799 HydrophobicContact CB-CG2 4.36Å; I782-I799 HydrophobicContact CG2-CG2 3.93Å; I782-S831 WeakPolarHBondContact CD1-O 3.34Å
783	Q	93.1	Very high	90.1	Very high	17 Å²	17	30.9 Å²	30.9	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-29.7	174.5	-57.9	-43.3	-51.2	0	0	112.3	V725 Y726 H779 D780 S781 R786 Q787	V725-Q783 HydrophobicContact CG1-CB 3.71Å; Y726-Q783 HydrophobicContact CD1-CB 4.31Å; Y726-Q783 HydrophobicContact CD1-CG 4.35Å; Y726-Q783 HydrophobicContact CE1-CB 4Å; Y726-Q783 HydrophobicContact CE1-CG 4.22Å; H779-Q783 PolarHBondContact CE1-NE2 3.1Å; H779-Q783 VanDerWaalsContact CE1-NE2 3.29Å; H779-Q783 PolarHBondContact NE2-NE2 3.35Å; H779-Q783 WeakPolarHBondContact O-CG 3.49Å; H779-Q783 PolarHBondContact O-N 3.47Å; H779-Q783 PolarHBondContact O-NE2 3.13Å; D780-Q783 PolarHBondContact O-N 3.48Å; S781-Q783 VanDerWaalsContact C-N 3.3Å; S781-Q783 PolarHBondContact O-N 2.86Å; Q783-R786 WeakPolarHBondContact O-CB 3.33Å; Q783-R786 PolarHBondContact O-N 2.67Å; Q783-Q787 PolarHBondContact O-N 3.47Å
784	I	94.2	Very high	89.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-56.1	179	-64.2	170.3	0	0	0	111.5	L652 W721 V725 S781 I782 R786 Q787 W834	L652-I784 HydrophobicContact CD1-CG2 4.15Å; L652-I784 HydrophobicContact CD2-CG2 3.44Å; L652-I784 VanDerWaalsContact CD2-CG2 3.44Å; L652-I784 HydrophobicContact CG-CG2 4.45Å; W721-I784 HydrophobicContact CZ2-CG1 4.4Å; W721-I784 HydrophobicContact CZ2-CG2 4.48Å; V725-I784 HydrophobicContact CG1-CG1 4.05Å; S781-I784 PolarHBondContact O-N 3.01Å; I782-I784 PolarHBondContact O-N 3.02Å; I784-R786 VanDerWaalsContact C-N 3.26Å; I784-R786 PolarHBondContact O-N 3.23Å; I784-Q787 PolarHBondContact O-N 3.19Å; I784-W834 HydrophobicContact CB-CH2 4.36Å; I784-W834 HydrophobicContact CD1-CH2 3.84Å; I784-W834 HydrophobicContact CD1-CZ2 4.43Å; I784-W834 HydrophobicContact CG2-CH2 4.31Å; I784-W834 HydrophobicContact CG2-CZ3 4.34Å
785	P	92.3	Very high	88.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-23.5	174.1	25.8	-34	0	0	0	113.3	T648 S781 I782 L788 G789 E790 F794	T648-P785 HydrophobicContact CG2-CB 3.96Å; S781-P785 VanDerWaalsContact O-CD 3.28Å; S781-P785 WeakPolarHBondContact O-CD 3.42Å; I782-P785 HydrophobicContact CD1-CG 4.01Å; I782-P785 HydrophobicContact CG1-CG 4.41Å; I782-P785 VanDerWaalsContact O-CD 3.24Å; I782-P785 WeakPolarHBondContact O-CD 3.44Å; I782-P785 VanDerWaalsContact O-CG 3.3Å; I782-P785 WeakPolarHBondContact O-CG 3.33Å; P785-L788 PolarHBondContact O-N 2.86Å; P785-G789 PolarHBondContact O-N 3.18Å; P785-E790 PolarHBondContact O-N 3.37Å; P785-F794 HydrophobicContact CB-CD2 3.84Å; P785-F794 HydrophobicContact CB-CE2 3.89Å; P785-F794 HydrophobicContact CG-CD2 4.25Å
786	R	90.3	Very high	88.3	Confident	122 Å²	122	29.7 Å²	29.7	46%	0.46	19%	0.19	S	C	.	.	H	α-helix	trans	-64.5	-43.9	173.1	-174.9	-172.4	-176.5	171	0.7	112.3	I782 Q783 I784 L788 G789 V791	I782-R786 WeakPolarHBondContact O-CB 3.41Å; I782-R786 PolarHBondContact O-N 2.93Å; Q783-R786 WeakPolarHBondContact O-CB 3.33Å; Q783-R786 PolarHBondContact O-N 2.67Å; I784-R786 VanDerWaalsContact C-N 3.26Å; I784-R786 PolarHBondContact O-N 3.23Å; R786-L788 PolarHBondContact O-N 3.47Å; R786-G789 PolarHBondContact O-N 3.1Å; R786-V791 HydrophobicContact CB-CB 3.91Å; R786-V791 HydrophobicContact CB-CG1 4.35Å; R786-V791 HydrophobicContact CB-CG2 4.23Å; R786-V791 HydrophobicContact CG-CB 4.24Å; R786-V791 HydrophobicContact CG-CG1 4.14Å
787	Q	92.7	Very high	87.5	Confident	36 Å²	36	29.7 Å²	29.7	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-32	177	-176.6	-79	-46.5	0	0	111.6	Y632 N724 V725 Q783 I784 G789	Y632-Q787 PolarHBondContact OH-NE2 3.45Å; N724-Q787 HydrophobicContact CB-CG 4.16Å; V725-Q787 HydrophobicContact CG2-CB 3.86Å; V725-Q787 HydrophobicContact CG2-CG 3.81Å; Q783-Q787 PolarHBondContact O-N 3.47Å; I784-Q787 PolarHBondContact O-N 3.19Å; Q787-G789 VanDerWaalsContact C-N 3.31Å; Q787-G789 PolarHBondContact O-N 3.29Å
788	L	89.7	Confident	86.9	Confident	18 Å²	18	34.4 Å²	34.4	9%	0.094	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.8	175.8	-62.1	179.3	0	0	0	114.8	L635 T648 K651 L652 P785 R786 E790	L635-L788 HydrophobicContact CD1-CD2 3.67Å; T648-L788 HydrophobicContact CG2-CD1 4.4Å; K651-L788 HydrophobicContact CB-CD1 3.91Å; L652-L788 HydrophobicContact CD2-CD1 3.52Å; L652-L788 HydrophobicContact CG-CD1 3.63Å; P785-L788 PolarHBondContact O-N 2.86Å; R786-L788 PolarHBondContact O-N 3.47Å; L788-E790 HydrophobicContact CB-CG 4.27Å
789	G	87.8	Confident	86.5	Confident	52 Å²	52	35.6 Å²	35.6	54%	0.536	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	15.4	-177.2	0	0	0	0	0	115	P785 R786 Q787	P785-G789 PolarHBondContact O-N 3.18Å; R786-G789 PolarHBondContact O-N 3.1Å; Q787-G789 VanDerWaalsContact C-N 3.31Å; Q787-G789 PolarHBondContact O-N 3.29Å
790	E	88.9	Confident	86.2	Confident	14 Å²	14	35.3 Å²	35.3	7%	0.065	23%	0.225	C	C	.	.			trans	-107	1.7	-170.3	-62.1	-75.1	179.2	0	0	113.8	R647 T648 K651 P785 L788 A792 S793 F794	R647-E790 WeakPolarHBondContact CD-OE1 3.44Å; R647-E790 IonicContact CZ-OE1 3.36Å; R647-E790 IonicContact CZ-OE2 3.51Å; R647-E790 VanDerWaalsContact NE-CD 3.3Å; R647-E790 IonicContact NE-OE1 2.75Å; R647-E790 PolarHBondContact NE-OE1 3.47Å; R647-E790 IonicContact NE-OE2 3.14Å; R647-E790 PolarHBondContact NE-OE2 2.86Å; R647-E790 VanDerWaalsContact NE-OE2 3.14Å; R647-E790 IonicContact NH2-OE1 2.71Å; R647-E790 IonicContact NH2-OE2 3.63Å; R647-E790 PolarHBondContact NH2-OE2 3.43Å; T648-E790 HydrophobicContact CG2-CB 4.35Å; T648-E790 VanDerWaalsContact OG1-CB 3.29Å; T648-E790 WeakPolarHBondContact OG1-CB 3.36Å; T648-E790 WeakPolarHBondContact OG1-CG 3.31Å; K651-E790 IonicContact NZ-OE1 3.73Å; K651-E790 PolarHBondContact NZ-OE1 3.49Å; P785-E790 PolarHBondContact O-N 3.37Å; L788-E790 HydrophobicContact CB-CG 4.27Å; E790-A792 VanDerWaalsContact C-N 3.27Å; E790-A792 PolarHBondContact O-N 3.47Å; E790-A792 VanDerWaalsContact O-N 3.15Å; E790-S793 WeakPolarHBondContact O-CB 3.32Å; E790-S793 PolarHBondContact O-N 3.25Å; E790-F794 HydrophobicContact CB-CE2 4Å; E790-F794 VanDerWaalsContact O-CD2 3.24Å; E790-F794 WeakPolarHBondContact O-CD2 3.42Å; E790-F794 WeakPolarHBondContact O-CE2 3.33Å
791	V	86.4	Confident	85.9	Confident	26 Å²	26	38.5 Å²	38.5	16%	0.158	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.6	-33.5	-172.2	65.9	0	0	0	0	114.6	I782 R786 S793 F794 G796	I782-V791 HydrophobicContact CG1-CG2 3.93Å; R786-V791 HydrophobicContact CB-CB 3.91Å; R786-V791 HydrophobicContact CB-CG1 4.35Å; R786-V791 HydrophobicContact CB-CG2 4.23Å; R786-V791 HydrophobicContact CG-CB 4.24Å; R786-V791 HydrophobicContact CG-CG1 4.14Å; V791-S793 PolarHBondContact O-N 3.23Å; V791-F794 PolarHBondContact O-N 3.14Å; V791-G796 PolarHBondContact O-N 3.17Å; V791-G796 VanDerWaalsContact O-N 3.12Å
792	A	79.5	Confident	85.6	Confident	89 Å²	89	39.3 Å²	39.3	74%	0.736	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-59.1	-31.1	179.2	0	0	0	0	0	112.1	E790 F794	E790-A792 VanDerWaalsContact C-N 3.27Å; E790-A792 PolarHBondContact O-N 3.47Å; E790-A792 VanDerWaalsContact O-N 3.15Å; A792-F794 PolarHBondContact O-N 3.24Å
793	S	79.8	Confident	85.4	Confident	38 Å²	38	39.3 Å²	39.3	27%	0.266	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-71.8	-11.6	177.7	-63.8	0	0	0	0	113.8	S644 E790 V791 Q830	S644-S793 WeakPolarHBondContact CB-OG 3.22Å; S644-S793 WeakPolarHBondContact OG-CB 3.44Å; E790-S793 WeakPolarHBondContact O-CB 3.32Å; E790-S793 PolarHBondContact O-N 3.25Å; V791-S793 PolarHBondContact O-N 3.23Å; S793-Q830 PolarHBondContact O-NE2 3.26Å
794	F	84.9	Confident	85.2	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.009	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-120.2	20.2	-171.7	-57	-69	0	0	0	113.4	A645 T648 I782 P785 E790 V791 A792 Q830 V833 W834	A645-F794 HydrophobicContact CB-CE1 4.39Å; T648-F794 HydrophobicContact CG2-CE2 3.87Å; T648-F794 HydrophobicContact CG2-CZ 4.01Å; T648-F794 WeakPolarHBondContact OG1-CE2 3.19Å; T648-F794 WeakPolarHBondContact OG1-CZ 3.4Å; I782-F794 HydrophobicContact CD1-CB 3.76Å; P785-F794 HydrophobicContact CB-CD2 3.84Å; P785-F794 HydrophobicContact CB-CE2 3.89Å; P785-F794 HydrophobicContact CG-CD2 4.25Å; E790-F794 HydrophobicContact CB-CE2 4Å; E790-F794 VanDerWaalsContact O-CD2 3.24Å; E790-F794 WeakPolarHBondContact O-CD2 3.42Å; E790-F794 WeakPolarHBondContact O-CE2 3.33Å; V791-F794 PolarHBondContact O-N 3.14Å; A792-F794 PolarHBondContact O-N 3.24Å; F794-Q830 WeakPolarHBondContact CB-O 3.35Å; F794-Q830 VanDerWaalsContact CD1-O 3.31Å; F794-Q830 WeakPolarHBondContact CD1-O 3.29Å; F794-V833 HydrophobicContact CD1-CG1 3.73Å; F794-V833 HydrophobicContact CE1-CG1 3.68Å; F794-W834 HydrophobicContact CE1-CB 3.95Å; F794-W834 HydrophobicContact CZ-CB 3.87Å
795	G	71.4	Confident	85	Confident	53 Å²	53	47 Å²	47	55%	0.546	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	6	179.8	0	0	0	0	0	114.6
796	G	77.4	Confident	84.9	Confident	21 Å²	21	47 Å²	47	22%	0.216	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-167.9	-177.8	0	0	0	0	0	112.6	V791 N798	V791-G796 PolarHBondContact O-N 3.17Å; V791-G796 VanDerWaalsContact O-N 3.12Å; G796-N798 PolarHBondContact O-N 3.4Å
797	S	74.4	Confident	85	Confident	57 Å²	57	41.3 Å²	41.3	40%	0.399	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.3	177	-59.5	0	0	0	0	113.3	I799	S797-I799 PolarHBondContact O-N 3.28Å
798	N	79.8	Confident	84.8	Confident	100 Å²	100	45.4 Å²	45.4	54%	0.535	29%	0.286	S	S	.	.			trans	-85.8	97.5	-179.3	-172.1	7.1	0	0	0	110.9	G796 E800 P801	G796-N798 PolarHBondContact O-N 3.4Å; N798-E800 VanDerWaalsContact C-N 3.3Å; N798-E800 PolarHBondContact O-N 3Å; N798-E800 WeakPolarHBondContact OD1-CB 3.38Å; N798-E800 PolarHBondContact OD1-N 2.79Å; N798-P801 WeakPolarHBondContact O-CD 3.37Å
799	I	85.3	Confident	84.7	Confident	25 Å²	25	49 Å²	49	13%	0.128	30%	0.301	C	S	.	.			trans	-80.4	-10	-179.1	56.2	71.1	0	0	0	114	L778 H779 I782 S797 P801 S802 V803	L778-I799 HydrophobicContact CB-CB 4.15Å; L778-I799 HydrophobicContact CB-CG2 4.19Å; H779-I799 HydrophobicContact CB-CG1 4.32Å; I782-I799 HydrophobicContact CB-CG2 4.36Å; I782-I799 HydrophobicContact CG2-CG2 3.93Å; S797-I799 PolarHBondContact O-N 3.28Å; I799-P801 VanDerWaalsContact C-CD 3.5Å; I799-S802 WeakPolarHBondContact O-CB 3.38Å; I799-S802 PolarHBondContact O-N 3.1Å; I799-V803 HydrophobicContact CD1-CG2 3.75Å; I799-V803 PolarHBondContact O-N 3.05Å
800	E	84.4	Confident	84.7	Confident	71 Å²	71	46.7 Å²	46.7	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-40.4	-172.2	-176.6	55.6	-149.3	0	0	113.7	N798 S802 V803 R804	N798-E800 VanDerWaalsContact C-N 3.3Å; N798-E800 PolarHBondContact O-N 3Å; N798-E800 WeakPolarHBondContact OD1-CB 3.38Å; N798-E800 PolarHBondContact OD1-N 2.79Å; E800-S802 VanDerWaalsContact C-N 3.29Å; E800-S802 PolarHBondContact O-N 3.24Å; E800-V803 PolarHBondContact O-N 3.37Å; E800-R804 WeakPolarHBondContact O-CB 3.38Å; E800-R804 PolarHBondContact O-N 3.18Å; E800-R804 WeakPolarHBondContact OE1-CG 3.39Å; E800-R804 IonicContact OE1-NE 3.37Å; E800-R804 PolarHBondContact OE1-NE 3.02Å
801	P	85.1	Confident	84.7	Confident	67 Å²	67	52.8 Å²	52.8	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-62.4	-34.3	174.6	-22.6	35.3	0	0	0	113.2	N798 I799 S805	N798-P801 WeakPolarHBondContact O-CD 3.37Å; I799-P801 VanDerWaalsContact C-CD 3.5Å; P801-S805 WeakPolarHBondContact O-CB 3.36Å; P801-S805 PolarHBondContact O-N 3.31Å
802	S	87.5	Confident	84.7	Confident	17 Å²	17	57.3 Å²	57.3	12%	0.119	33%	0.333	C	S	.	.	H	α-helix	trans	-73.7	-39.2	177.8	-59.8	0	0	0	0	112	I799 E800 S805 C806 W824 S831	I799-S802 WeakPolarHBondContact O-CB 3.38Å; I799-S802 PolarHBondContact O-N 3.1Å; E800-S802 VanDerWaalsContact C-N 3.29Å; E800-S802 PolarHBondContact O-N 3.24Å; S802-S805 PolarHBondContact O-N 3.29Å; S802-C806 PolarHBondContact O-N 2.9Å; S802-W824 WeakPolarHBondContact O-CZ2 3.41Å; S802-S831 WeakPolarHBondContact CB-OG 3.44Å; S802-S831 WeakPolarHBondContact OG-CB 3.35Å; S802-S831 PolarHBondContact OG-OG 3.35Å; S802-S831 VanDerWaalsContact OG-OG 3.13Å
803	V	89.2	Confident	85	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-51.6	171.6	176.6	0	0	0	0	109.7	Q771 L778 I799 E800 S805 C806 F807	Q771-V803 HydrophobicContact CB-CG1 3.86Å; Q771-V803 HydrophobicContact CG-CG1 4.07Å; L778-V803 HydrophobicContact CD1-CG2 3.85Å; I799-V803 HydrophobicContact CD1-CG2 3.75Å; I799-V803 PolarHBondContact O-N 3.05Å; E800-V803 PolarHBondContact O-N 3.37Å; V803-S805 VanDerWaalsContact C-N 3.29Å; V803-S805 PolarHBondContact O-N 3.36Å; V803-C806 WeakPolarHBondContact O-CB 3.44Å; V803-C806 PolarHBondContact O-N 3.38Å; V803-C806 VanDerWaalsContact O-N 3.1Å; V803-F807 HydrophobicContact CG1-CD2 4.03Å; V803-F807 HydrophobicContact CG1-CE2 4.24Å; V803-F807 WeakPolarHBondContact O-CD2 3.27Å; V803-F807 PolarHBondContact O-N 3.03Å; V803-F807 VanDerWaalsContact O-N 3.08Å
804	R	87.9	Confident	85.3	Confident	127 Å²	127	62.3 Å²	62.3	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-57.2	-41.3	176.8	-78.7	-172.3	-89	157.8	-6.2	112.6	E800 C806 F807 Q808	E800-R804 WeakPolarHBondContact O-CB 3.38Å; E800-R804 PolarHBondContact O-N 3.18Å; E800-R804 WeakPolarHBondContact OE1-CG 3.39Å; E800-R804 IonicContact OE1-NE 3.37Å; E800-R804 PolarHBondContact OE1-NE 3.02Å; R804-C806 PolarHBondContact O-N 3.43Å; R804-F807 PolarHBondContact O-N 3.02Å; R804-Q808 WeakPolarHBondContact O-CB 3.36Å; R804-Q808 WeakPolarHBondContact O-CG 3.42Å; R804-Q808 PolarHBondContact O-N 3.27Å
805	S	89.9	Confident	85.6	Confident	53 Å²	53	66.2 Å²	66.2	37%	0.371	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-42.3	176.1	174.9	0	0	0	0	112.7	P801 S802 V803 F809 W824	P801-S805 WeakPolarHBondContact O-CB 3.36Å; P801-S805 PolarHBondContact O-N 3.31Å; S802-S805 PolarHBondContact O-N 3.29Å; V803-S805 VanDerWaalsContact C-N 3.29Å; V803-S805 PolarHBondContact O-N 3.36Å; S805-F809 WeakPolarHBondContact O-CB 3.47Å; S805-F809 PolarHBondContact O-N 3.33Å; S805-W824 PolarHBondContact OG-NE1 3.3Å
806	C	90.8	Very high	86.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-45	177.7	-170.2	0	0	0	0	111.7	L774 S802 V803 R804 F809 A810 I816 W824	L774-C806 HydrophobicContact CD2-CB 3.69Å; S802-C806 PolarHBondContact O-N 2.9Å; V803-C806 WeakPolarHBondContact O-CB 3.44Å; V803-C806 PolarHBondContact O-N 3.38Å; V803-C806 VanDerWaalsContact O-N 3.1Å; R804-C806 PolarHBondContact O-N 3.43Å; C806-F809 WeakPolarHBondContact O-CB 3.38Å; C806-F809 PolarHBondContact O-N 3.04Å; C806-A810 PolarHBondContact O-N 3.37Å; C806-I816 VanDerWaalsContact SG-CD1 3.6Å; C806-W824 HydrophobicContact CB-CD2 3.7Å; C806-W824 HydrophobicContact CB-CE3 4.12Å; C806-W824 HydrophobicContact CB-CG 4.07Å; C806-W824 HydrophobicContact CB-CH2 4.3Å; C806-W824 HydrophobicContact CB-CZ2 3.9Å; C806-W824 HydrophobicContact CB-CZ3 4.4Å
807	F	92	Very high	87.4	Confident	1 Å²	1	67.9 Å²	67.9	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-72.2	-32	-179.7	-82.3	-95.9	0	0	0	112.9	Q771 L774 V803 R804 A810 N811 N812 K813 P814 I816	Q771-F807 HydrophobicContact CB-CE2 4.18Å; Q771-F807 HydrophobicContact CB-CZ 4.31Å; Q771-F807 HydrophobicContact CG-CD1 3.7Å; Q771-F807 HydrophobicContact CG-CD2 3.61Å; Q771-F807 HydrophobicContact CG-CE1 3.71Å; Q771-F807 HydrophobicContact CG-CE2 3.6Å; Q771-F807 HydrophobicContact CG-CG 3.67Å; Q771-F807 HydrophobicContact CG-CZ 3.67Å; Q771-F807 VanDerWaalsContact N-CZ 3.3Å; L774-F807 HydrophobicContact CB-CE2 4.24Å; L774-F807 HydrophobicContact CD2-CD2 4.09Å; L774-F807 HydrophobicContact CD2-CE2 3.65Å; V803-F807 HydrophobicContact CG1-CD2 4.03Å; V803-F807 HydrophobicContact CG1-CE2 4.24Å; V803-F807 WeakPolarHBondContact O-CD2 3.27Å; V803-F807 PolarHBondContact O-N 3.03Å; V803-F807 VanDerWaalsContact O-N 3.08Å; R804-F807 PolarHBondContact O-N 3.02Å; F807-A810 CarbonylContact O-C 3.06Å; F807-A810 WeakPolarHBondContact O-CA 3.46Å; F807-A810 WeakPolarHBondContact O-CB 3.14Å; F807-A810 PolarHBondContact O-N 3.39Å; F807-A810 VanDerWaalsContact O-N 3.13Å; F807-N811 PolarHBondContact O-N 2.83Å; F807-N812 VanDerWaalsContact O-CA 3.27Å; F807-N812 WeakPolarHBondContact O-CA 3.39Å; F807-N812 PolarHBondContact O-N 3.49Å; F807-K813 WeakPolarHBondContact CD1-O 3.5Å; F807-K813 WeakPolarHBondContact CE1-O 3.32Å; F807-P814 WeakPolarHBondContact CE1-O 3.38Å; F807-I816 HydrophobicContact CD1-CG2 4.22Å; F807-I816 HydrophobicContact CE1-CG2 3.9Å; F807-I816 HydrophobicContact CE2-CD1 4.3Å; F807-I816 HydrophobicContact CZ-CD1 4.39Å; F807-I816 HydrophobicContact CZ-CG1 4.19Å; F807-I816 HydrophobicContact CZ-CG2 4.11Å
808	Q	88.8	Confident	88.3	Confident	123 Å²	123	66.2 Å²	66.2	58%	0.575	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-41.4	168.9	-75.9	173.8	-0.6	0	0	111.7	R804 A810 N811	R804-Q808 WeakPolarHBondContact O-CB 3.36Å; R804-Q808 WeakPolarHBondContact O-CG 3.42Å; R804-Q808 PolarHBondContact O-N 3.27Å; Q808-A810 PolarHBondContact O-N 3.06Å; Q808-N811 PolarHBondContact O-N 3.26Å
809	F	87.9	Confident	88.9	Confident	93 Å²	93	64.2 Å²	64.2	41%	0.408	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-28.8	172.2	-176	-100.9	0	0	0	112	S805 C806 N811 L820 D823 W824 L827	S805-F809 WeakPolarHBondContact O-CB 3.47Å; S805-F809 PolarHBondContact O-N 3.33Å; C806-F809 WeakPolarHBondContact O-CB 3.38Å; C806-F809 PolarHBondContact O-N 3.04Å; F809-N811 PolarHBondContact O-N 2.73Å; F809-L820 HydrophobicContact CD1-CD2 4.03Å; F809-L820 HydrophobicContact CD1-CG 4.45Å; F809-D823 HydrophobicContact CE1-CB 3.91Å; F809-D823 HydrophobicContact CZ-CB 4.22Å; F809-W824 HydrophobicContact CD1-CB 3.84Å; F809-W824 HydrophobicContact CE1-CB 4.2Å; F809-W824 HydrophobicContact CG-CB 4.47Å; F809-L827 HydrophobicContact CD2-CD1 3.83Å; F809-L827 HydrophobicContact CE2-CD1 3.63Å; F809-L827 HydrophobicContact CZ-CD1 4.22Å
810	A	87.4	Confident	89.2	Confident	3 Å²	3	64.9 Å²	64.9	3%	0.025	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	11	173.5	0	0	0	0	0	115.3	C806 F807 Q808 N812 K813 I816 L820	C806-A810 PolarHBondContact O-N 3.37Å; F807-A810 CarbonylContact O-C 3.06Å; F807-A810 WeakPolarHBondContact O-CA 3.46Å; F807-A810 WeakPolarHBondContact O-CB 3.14Å; F807-A810 PolarHBondContact O-N 3.39Å; F807-A810 VanDerWaalsContact O-N 3.13Å; Q808-A810 PolarHBondContact O-N 3.06Å; A810-N812 VanDerWaalsContact C-N 3.27Å; A810-N812 PolarHBondContact O-N 2.95Å; A810-K813 WeakPolarHBondContact O-CG 3.29Å; A810-K813 PolarHBondContact O-N 3.44Å; A810-I816 HydrophobicContact CB-CG2 3.55Å; A810-L820 HydrophobicContact CB-CD1 3.77Å; A810-L820 HydrophobicContact CB-CD2 3.48Å; A810-L820 VanDerWaalsContact CB-CD2 3.48Å; A810-L820 HydrophobicContact CB-CG 4.29Å
811	N	88.1	Confident	89.7	Confident	143 Å²	143	61.7 Å²	61.7	77%	0.765	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	37.6	-170.8	-64	-26.4	0	0	0	113.3	F807 Q808 F809 K813	F807-N811 PolarHBondContact O-N 2.83Å; Q808-N811 PolarHBondContact O-N 3.26Å; F809-N811 PolarHBondContact O-N 2.73Å; N811-K813 VanDerWaalsContact C-N 3.27Å; N811-K813 PolarHBondContact O-N 3.14Å
812	N	86.8	Confident	90.1	Very high	120 Å²	120	58.8 Å²	58.8	64%	0.642	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	30.9	178.9	-58.6	-45.6	0	0	0	114.8	F807 A810	F807-N812 VanDerWaalsContact O-CA 3.27Å; F807-N812 WeakPolarHBondContact O-CA 3.39Å; F807-N812 PolarHBondContact O-N 3.49Å; A810-N812 VanDerWaalsContact C-N 3.27Å; A810-N812 PolarHBondContact O-N 2.95Å
813	K	86.4	Confident	90.2	Very high	122 Å²	122	61.2 Å²	61.2	53%	0.53	32%	0.319	S	S	.	.			trans	-60.4	145.4	168.9	-73.1	177.3	179.1	-173.7	0	110.6	F807 A810 N811 E815	F807-K813 WeakPolarHBondContact CD1-O 3.5Å; F807-K813 WeakPolarHBondContact CE1-O 3.32Å; A810-K813 WeakPolarHBondContact O-CG 3.29Å; A810-K813 PolarHBondContact O-N 3.44Å; N811-K813 VanDerWaalsContact C-N 3.27Å; N811-K813 PolarHBondContact O-N 3.14Å; K813-E815 WeakPolarHBondContact CB-O 3.25Å; K813-E815 PolarHBondContact O-N 2.93Å
814	P	85.3	Confident	90.4	Very high	111 Å²	111	61.4 Å²	61.4	72%	0.721	32%	0.32	S	S	*	.	S	Bend	trans	-67.1	-25	-179.9	27.4	-34.9	0	0	0	113.2	F807	F807-P814 WeakPolarHBondContact CE1-O 3.38Å
815	E	91.5	Very high	90.6	Very high	83 Å²	83	55.5 Å²	55.5	39%	0.388	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154	178.1	-59.9	-175.9	147.9	0	0	110.8	F768 C769 D770 K813	F768-E815 HydrophobicContact CB-CB 4.1Å; F768-E815 WeakPolarHBondContact CB-OE2 3.19Å; F768-E815 HydrophobicContact CD1-CB 4.38Å; C769-E815 CarbonylContact O-C 3.24Å; C769-E815 WeakPolarHBondContact O-CA 3.34Å; D770-E815 HydrophobicContact CB-CG 4.39Å; K813-E815 WeakPolarHBondContact CB-O 3.25Å; K813-E815 PolarHBondContact O-N 2.93Å
816	I	94.1	Very high	90.5	Very high	3 Å²	3	60 Å²	60	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152	178.4	63.6	173.6	0	0	0	111.5	F759 F768 C769 L774 C806 F807 A810 L820 F821	F759-I816 HydrophobicContact CE2-CD1 4.12Å; F759-I816 HydrophobicContact CE2-CG1 4.05Å; F759-I816 HydrophobicContact CZ-CG1 4.31Å; F759-I816 WeakPolarHBondContact CZ-O 3.37Å; F768-I816 WeakPolarHBondContact CA-O 3.48Å; C769-I816 HydrophobicContact CB-CG1 4.13Å; C769-I816 PolarHBondContact N-O 3.38Å; C769-I816 WeakPolarHBondContact O-CG1 3.36Å; C769-I816 PolarHBondContact O-N 3.18Å; L774-I816 HydrophobicContact CD2-CD1 4.11Å; C806-I816 VanDerWaalsContact SG-CD1 3.6Å; F807-I816 HydrophobicContact CD1-CG2 4.22Å; F807-I816 HydrophobicContact CE1-CG2 3.9Å; F807-I816 HydrophobicContact CE2-CD1 4.3Å; F807-I816 HydrophobicContact CZ-CD1 4.39Å; F807-I816 HydrophobicContact CZ-CG1 4.19Å; F807-I816 HydrophobicContact CZ-CG2 4.11Å; A810-I816 HydrophobicContact CB-CG2 3.55Å; I816-L820 HydrophobicContact CB-CD2 4.28Å; I816-L820 HydrophobicContact CG2-CD2 3.99Å; I816-F821 HydrophobicContact CD1-CB 4.22Å
817	E	93.3	Very high	90.3	Very high	106 Å²	106	65.4 Å²	65.4	50%	0.495	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	163.9	173.2	-66.8	175.2	-162.1	0	0	111.2	F768 A819 L820 F821	F768-E817 HydrophobicContact CD1-CG 3.62Å; F768-E817 HydrophobicContact CE1-CG 3.27Å; F768-E817 WeakPolarHBondContact CE1-OE1 3.25Å; F768-E817 HydrophobicContact CZ-CG 4.02Å; F768-E817 WeakPolarHBondContact CZ-OE1 3.46Å; E817-A819 VanDerWaalsContact C-N 3.27Å; E817-A819 PolarHBondContact O-N 3.22Å; E817-L820 PolarHBondContact O-N 3.16Å; E817-L820 VanDerWaalsContact O-N 3.14Å; E817-F821 PolarHBondContact O-N 3.23Å; E817-F821 VanDerWaalsContact O-N 3.13Å
818	A	92.2	Very high	90.1	Very high	23 Å²	23	67.7 Å²	67.7	19%	0.19	35%	0.346	C	S	.	.	H	α-helix	trans	-55.2	-39.5	-178.9	0	0	0	0	0	113.1	F759 L820 F821 L822	F759-A818 HydrophobicContact CD1-CB 3.59Å; F759-A818 VanDerWaalsContact CE1-CA 3.46Å; F759-A818 HydrophobicContact CE1-CB 3.72Å; F759-A818 VanDerWaalsContact CE1-N 3.29Å; F759-A818 HydrophobicContact CG-CB 4.38Å; A818-L820 VanDerWaalsContact C-N 3.35Å; A818-L820 PolarHBondContact O-N 2.93Å; A818-F821 PolarHBondContact O-N 3.04Å; A818-L822 WeakPolarHBondContact O-CB 2.78Å; A818-L822 WeakPolarHBondContact O-CG 3.43Å; A818-L822 PolarHBondContact O-N 3.04Å
819	A	92.1	Very high	90.1	Very high	58 Å²	58	62.7 Å²	62.7	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-43.9	-179.8	0	0	0	0	0	112.2	E817 L822 D823	E817-A819 VanDerWaalsContact C-N 3.27Å; E817-A819 PolarHBondContact O-N 3.22Å; A819-L822 PolarHBondContact O-N 3.3Å; A819-D823 PolarHBondContact O-N 3.33Å
820	L	92.8	Very high	89.9	Confident	39 Å²	39	61.3 Å²	61.3	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-69.3	-40.5	179.8	-165.7	147.6	0	0	0	111.6	F809 A810 I816 E817 A818 L822 D823 W824	F809-L820 HydrophobicContact CD1-CD2 4.03Å; F809-L820 HydrophobicContact CD1-CG 4.45Å; A810-L820 HydrophobicContact CB-CD1 3.77Å; A810-L820 HydrophobicContact CB-CD2 3.48Å; A810-L820 VanDerWaalsContact CB-CD2 3.48Å; A810-L820 HydrophobicContact CB-CG 4.29Å; I816-L820 HydrophobicContact CB-CD2 4.28Å; I816-L820 HydrophobicContact CG2-CD2 3.99Å; E817-L820 PolarHBondContact O-N 3.16Å; E817-L820 VanDerWaalsContact O-N 3.14Å; A818-L820 VanDerWaalsContact C-N 3.35Å; A818-L820 PolarHBondContact O-N 2.93Å; L820-L822 VanDerWaalsContact C-N 3.34Å; L820-L822 PolarHBondContact O-N 3.28Å; L820-D823 PolarHBondContact O-N 3.42Å; L820-W824 PolarHBondContact O-N 2.78Å
821	F	93.9	Very high	89.9	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.013	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-44.2	173	172.7	-102.9	0	0	0	111.8	F759 L774 L777 I816 E817 A818 D823 W824 M825	F759-F821 HydrophobicContact CB-CD1 3.73Å; F759-F821 HydrophobicContact CB-CE1 3.88Å; F759-F821 HydrophobicContact CB-CG 4.47Å; F759-F821 HydrophobicContact CD2-CB 3.54Å; F759-F821 AromaticContact CD2-CD1 3.5Å; F759-F821 HydrophobicContact CD2-CD1 3.5Å; F759-F821 VanDerWaalsContact CD2-CD1 3.5Å; F759-F821 AromaticContact CD2-CD2 3.9Å; F759-F821 HydrophobicContact CD2-CD2 3.9Å; F759-F821 HydrophobicContact CD2-CE1 4.14Å; F759-F821 HydrophobicContact CD2-CE2 4.5Å; F759-F821 AromaticContact CD2-CG 3.35Å; F759-F821 HydrophobicContact CD2-CG 3.35Å; F759-F821 HydrophobicContact CE2-CB 3.58Å; F759-F821 HydrophobicContact CE2-CD1 4.41Å; F759-F821 HydrophobicContact CE2-CD2 4.34Å; F759-F821 AromaticContact CE2-CG 3.87Å; F759-F821 HydrophobicContact CE2-CG 3.87Å; F759-F821 HydrophobicContact CG-CB 4.36Å; F759-F821 AromaticContact CG-CD1 3.88Å; F759-F821 HydrophobicContact CG-CD1 3.88Å; F759-F821 HydrophobicContact CG-CE1 4.44Å; F759-F821 HydrophobicContact CG-CG 4.17Å; F759-F821 HydrophobicContact CZ-CB 4.44Å; L774-F821 HydrophobicContact CD1-CD2 3.92Å; L774-F821 HydrophobicContact CD1-CE2 3.66Å; L777-F821 HydrophobicContact CD2-CZ 4.24Å; I816-F821 HydrophobicContact CD1-CB 4.22Å; E817-F821 PolarHBondContact O-N 3.23Å; E817-F821 VanDerWaalsContact O-N 3.13Å; A818-F821 PolarHBondContact O-N 3.04Å; F821-D823 PolarHBondContact O-N 2.67Å; F821-W824 HydrophobicContact CD2-CE3 4.07Å; F821-W824 HydrophobicContact CD2-CZ3 4.36Å; F821-W824 HydrophobicContact CE2-CE3 4.02Å; F821-W824 AromaticContact CE2-CZ3 3.91Å; F821-W824 HydrophobicContact CE2-CZ3 3.91Å; F821-W824 PolarHBondContact O-N 3.37Å; F821-M825 HydrophobicContact CD1-CG 4.18Å; F821-M825 HydrophobicContact CD2-CG 4.25Å; F821-M825 HydrophobicContact CE1-CG 3.74Å; F821-M825 HydrophobicContact CE2-CG 3.79Å; F821-M825 HydrophobicContact CE2-SD 4.02Å; F821-M825 HydrophobicContact CG-CG 4.43Å; F821-M825 HydrophobicContact CZ-CG 3.53Å; F821-M825 HydrophobicContact CZ-SD 3.84Å; F821-M825 WeakPolarHBondContact O-CB 3.3Å; F821-M825 VanDerWaalsContact O-CG 3.29Å; F821-M825 WeakPolarHBondContact O-CG 3.42Å; F821-M825 PolarHBondContact O-N 3.08Å
822	L	93.3	Very high	90.1	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-42.1	176.8	-69.8	175	0	0	0	111.7	E752 Y755 A818 A819 L820 W824 M825 R826	E752-L822 HydrophobicContact CG-CD1 4.08Å; E752-L822 HydrophobicContact CG-CD2 4.05Å; Y755-L822 HydrophobicContact CD2-CD2 4.16Å; Y755-L822 HydrophobicContact CG-CD2 4.29Å; A818-L822 WeakPolarHBondContact O-CB 2.78Å; A818-L822 WeakPolarHBondContact O-CG 3.43Å; A818-L822 PolarHBondContact O-N 3.04Å; A819-L822 PolarHBondContact O-N 3.3Å; L820-L822 VanDerWaalsContact C-N 3.34Å; L820-L822 PolarHBondContact O-N 3.28Å; L822-W824 VanDerWaalsContact C-N 3.34Å; L822-W824 PolarHBondContact O-N 3.42Å; L822-M825 PolarHBondContact O-N 3.46Å; L822-R826 WeakPolarHBondContact O-CG 3.25Å; L822-R826 PolarHBondContact O-N 3.39Å
823	D	90.9	Very high	90.3	Very high	69 Å²	69	49 Å²	49	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-38.8	175.7	-74.9	-24.7	0	0	0	112.5	F809 A819 L820 F821 R826	F809-D823 HydrophobicContact CE1-CB 3.91Å; F809-D823 HydrophobicContact CZ-CB 4.22Å; A819-D823 PolarHBondContact O-N 3.33Å; L820-D823 PolarHBondContact O-N 3.42Å; F821-D823 PolarHBondContact O-N 2.67Å; D823-R826 WeakPolarHBondContact O-CB 3.39Å; D823-R826 PolarHBondContact O-N 3.21Å; D823-R826 IonicContact OD1-CZ 3.38Å; D823-R826 IonicContact OD1-NH1 2.9Å; D823-R826 PolarHBondContact OD1-NH1 2.97Å
824	W	93	Very high	90.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-43.2	172.3	175.7	75.4	0	0	0	112.1	L778 S802 S805 C806 F809 L820 F821 L822 R826 L827 P829	L778-W824 HydrophobicContact CD1-CH2 4.19Å; L778-W824 HydrophobicContact CD2-CH2 4.37Å; S802-W824 WeakPolarHBondContact O-CZ2 3.41Å; S805-W824 PolarHBondContact OG-NE1 3.3Å; C806-W824 HydrophobicContact CB-CD2 3.7Å; C806-W824 HydrophobicContact CB-CE3 4.12Å; C806-W824 HydrophobicContact CB-CG 4.07Å; C806-W824 HydrophobicContact CB-CH2 4.3Å; C806-W824 HydrophobicContact CB-CZ2 3.9Å; C806-W824 HydrophobicContact CB-CZ3 4.4Å; F809-W824 HydrophobicContact CD1-CB 3.84Å; F809-W824 HydrophobicContact CE1-CB 4.2Å; F809-W824 HydrophobicContact CG-CB 4.47Å; L820-W824 PolarHBondContact O-N 2.78Å; F821-W824 HydrophobicContact CD2-CE3 4.07Å; F821-W824 HydrophobicContact CD2-CZ3 4.36Å; F821-W824 HydrophobicContact CE2-CE3 4.02Å; F821-W824 AromaticContact CE2-CZ3 3.91Å; F821-W824 HydrophobicContact CE2-CZ3 3.91Å; F821-W824 PolarHBondContact O-N 3.37Å; L822-W824 VanDerWaalsContact C-N 3.34Å; L822-W824 PolarHBondContact O-N 3.42Å; W824-R826 PolarHBondContact O-N 2.88Å; W824-L827 VanDerWaalsContact O-CB 3.25Å; W824-L827 WeakPolarHBondContact O-CB 3.35Å; W824-L827 PolarHBondContact O-N 3.39Å; W824-P829 HydrophobicContact CD2-CB 4.43Å; W824-P829 HydrophobicContact CD2-CG 4.07Å; W824-P829 HydrophobicContact CE3-CG 3.95Å; W824-P829 HydrophobicContact CH2-CB 3.6Å; W824-P829 HydrophobicContact CH2-CG 3.4Å; W824-P829 VanDerWaalsContact CH2-CG 3.4Å; W824-P829 HydrophobicContact CZ2-CB 3.24Å; W824-P829 HydrophobicContact CZ2-CG 3.52Å; W824-P829 HydrophobicContact CZ3-CB 4.31Å; W824-P829 HydrophobicContact CZ3-CG 3.63Å
825	M	91.6	Very high	91	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-28.5	177.6	-73.2	-65.3	-69.4	0	0	112.9	Y755 F821 L822 L827 E828 P829 M832	Y755-M825 HydrophobicContact CD1-CE 3.66Å; Y755-M825 HydrophobicContact CD2-CB 3.86Å; Y755-M825 HydrophobicContact CD2-CE 4.33Å; Y755-M825 HydrophobicContact CD2-CG 4.39Å; Y755-M825 HydrophobicContact CE1-CE 3.23Å; Y755-M825 HydrophobicContact CE2-CB 3.77Å; Y755-M825 HydrophobicContact CE2-CE 3.96Å; Y755-M825 HydrophobicContact CG-CB 4.5Å; Y755-M825 HydrophobicContact CG-CE 4.18Å; F821-M825 HydrophobicContact CD1-CG 4.18Å; F821-M825 HydrophobicContact CD2-CG 4.25Å; F821-M825 HydrophobicContact CE1-CG 3.74Å; F821-M825 HydrophobicContact CE2-CG 3.79Å; F821-M825 HydrophobicContact CE2-SD 4.02Å; F821-M825 HydrophobicContact CG-CG 4.43Å; F821-M825 HydrophobicContact CZ-CG 3.53Å; F821-M825 HydrophobicContact CZ-SD 3.84Å; F821-M825 WeakPolarHBondContact O-CB 3.3Å; F821-M825 VanDerWaalsContact O-CG 3.29Å; F821-M825 WeakPolarHBondContact O-CG 3.42Å; F821-M825 PolarHBondContact O-N 3.08Å; L822-M825 PolarHBondContact O-N 3.46Å; M825-L827 PolarHBondContact O-N 2.86Å; M825-E828 PolarHBondContact O-N 2.88Å; M825-P829 HydrophobicContact SD-CG 3.84Å; M825-M832 HydrophobicContact CE-CB 3.65Å; M825-M832 HydrophobicContact CE-CE 4.01Å; M825-M832 HydrophobicContact CE-CG 3.89Å; M825-M832 HydrophobicContact SD-CB 4.11Å; M825-M832 HydrophobicContact SD-CG 4.02Å
826	R	88.3	Confident	91	Very high	148 Å²	148	34.2 Å²	34.2	56%	0.558	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.8	172.1	-72.7	169	-177.2	165.4	-3.2	113	E752 L822 D823 W824 E828	E752-R826 IonicContact OE1-NH2 2.7Å; E752-R826 IonicContact OE2-CZ 3.78Å; E752-R826 IonicContact OE2-NH2 2.89Å; E752-R826 PolarHBondContact OE2-NH2 3.09Å; L822-R826 WeakPolarHBondContact O-CG 3.25Å; L822-R826 PolarHBondContact O-N 3.39Å; D823-R826 WeakPolarHBondContact O-CB 3.39Å; D823-R826 PolarHBondContact O-N 3.21Å; D823-R826 IonicContact OD1-CZ 3.38Å; D823-R826 IonicContact OD1-NH1 2.9Å; D823-R826 PolarHBondContact OD1-NH1 2.97Å; W824-R826 PolarHBondContact O-N 2.88Å; R826-E828 PolarHBondContact O-N 3.2Å
827	L	87.1	Confident	91	Very high	113 Å²	113	34 Å²	34	59%	0.592	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-0.8	171.3	-55.1	177.1	0	0	0	112.9	F809 W824 M825	F809-L827 HydrophobicContact CD2-CD1 3.83Å; F809-L827 HydrophobicContact CE2-CD1 3.63Å; F809-L827 HydrophobicContact CZ-CD1 4.22Å; W824-L827 VanDerWaalsContact O-CB 3.25Å; W824-L827 WeakPolarHBondContact O-CB 3.35Å; W824-L827 PolarHBondContact O-N 3.39Å; M825-L827 PolarHBondContact O-N 2.86Å
828	E	87.9	Confident	91.1	Very high	50 Å²	50	29.1 Å²	29.1	23%	0.234	15%	0.152	C	C	.	.			trans	53.6	63.7	-180	-57.9	-168.4	164.7	0	0	112.9	M825 R826 V833 P836 R840	M825-E828 PolarHBondContact O-N 2.88Å; R826-E828 PolarHBondContact O-N 3.2Å; E828-V833 HydrophobicContact CB-CB 4.49Å; E828-V833 HydrophobicContact CB-CG2 4.06Å; E828-P836 HydrophobicContact CG-CG 4.17Å; E828-R840 IonicContact OE1-CZ 2.82Å; E828-R840 IonicContact OE1-NH1 3.25Å; E828-R840 PolarHBondContact OE1-NH1 3.41Å; E828-R840 IonicContact OE1-NH2 2.76Å; E828-R840 IonicContact OE2-NH1 2.89Å; E828-R840 IonicContact OE2-NH2 3.12Å
829	P	88.5	Confident	91.1	Very high	17 Å²	17	30.1 Å²	30.1	11%	0.11	15%	0.153	C	C	.	.			trans	-60.6	145.7	-177.7	25.7	-33.1	0	0	0	111.4	W824 M825 S831 M832 V833	W824-P829 HydrophobicContact CD2-CB 4.43Å; W824-P829 HydrophobicContact CD2-CG 4.07Å; W824-P829 HydrophobicContact CE3-CG 3.95Å; W824-P829 HydrophobicContact CH2-CB 3.6Å; W824-P829 HydrophobicContact CH2-CG 3.4Å; W824-P829 VanDerWaalsContact CH2-CG 3.4Å; W824-P829 HydrophobicContact CZ2-CB 3.24Å; W824-P829 HydrophobicContact CZ2-CG 3.52Å; W824-P829 HydrophobicContact CZ3-CB 4.31Å; W824-P829 HydrophobicContact CZ3-CG 3.63Å; M825-P829 HydrophobicContact SD-CG 3.84Å; P829-S831 PolarHBondContact O-N 2.98Å; P829-S831 VanDerWaalsContact O-N 3.11Å; P829-M832 HydrophobicContact CG-CB 4.23Å; P829-M832 CarbonylContact O-C 3.55Å; P829-M832 PolarHBondContact O-N 3.3Å; P829-V833 PolarHBondContact O-N 3.47Å
830	Q	83.4	Confident	91.2	Very high	64 Å²	64	29 Å²	29	30%	0.299	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.3	-170.2	-169.2	62.5	45.4	0	0	113.6	S793 F794 M832	S793-Q830 PolarHBondContact O-NE2 3.26Å; F794-Q830 WeakPolarHBondContact CB-O 3.35Å; F794-Q830 VanDerWaalsContact CD1-O 3.31Å; F794-Q830 WeakPolarHBondContact CD1-O 3.29Å; Q830-M832 PolarHBondContact O-N 3.2Å
831	S	87.9	Confident	91.2	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.7	178.5	54.8	0	0	0	0	114.3	I782 S802 P829 W834	I782-S831 WeakPolarHBondContact CD1-O 3.34Å; S802-S831 WeakPolarHBondContact CB-OG 3.44Å; S802-S831 WeakPolarHBondContact OG-CB 3.35Å; S802-S831 PolarHBondContact OG-OG 3.35Å; S802-S831 VanDerWaalsContact OG-OG 3.13Å; P829-S831 PolarHBondContact O-N 2.98Å; P829-S831 VanDerWaalsContact O-N 3.11Å; S831-W834 PolarHBondContact O-NE1 2.95Å; S831-W834 VanDerWaalsContact O-NE1 3.13Å
832	M	91.4	Very high	91.1	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.025	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-7.3	-173.9	-64.6	-61.6	-66.1	0	0	114.4	L778 S781 M825 P829 Q830 W834 L835 P836	L778-M832 HydrophobicContact CD2-CG 3.63Å; L778-M832 HydrophobicContact CD2-SD 3.8Å; S781-M832 WeakPolarHBondContact CB-SD 3.33Å; M825-M832 HydrophobicContact CE-CB 3.65Å; M825-M832 HydrophobicContact CE-CE 4.01Å; M825-M832 HydrophobicContact CE-CG 3.89Å; M825-M832 HydrophobicContact SD-CB 4.11Å; M825-M832 HydrophobicContact SD-CG 4.02Å; P829-M832 HydrophobicContact CG-CB 4.23Å; P829-M832 CarbonylContact O-C 3.55Å; P829-M832 PolarHBondContact O-N 3.3Å; Q830-M832 PolarHBondContact O-N 3.2Å; M832-W834 HydrophobicContact CE-CZ2 4.43Å; M832-W834 PolarHBondContact O-N 2.97Å; M832-L835 HydrophobicContact CE-CD2 4.07Å; M832-L835 PolarHBondContact O-N 3.45Å; M832-P836 WeakPolarHBondContact O-CD 3.45Å
833	V	90.5	Very high	91	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.4	-174.3	67.6	0	0	0	0	114.2	A645 F794 E828 P829 L835 P836 V837	A645-V833 HydrophobicContact CB-CG1 4.49Å; F794-V833 HydrophobicContact CD1-CG1 3.73Å; F794-V833 HydrophobicContact CE1-CG1 3.68Å; E828-V833 HydrophobicContact CB-CB 4.49Å; E828-V833 HydrophobicContact CB-CG2 4.06Å; P829-V833 PolarHBondContact O-N 3.47Å; V833-L835 VanDerWaalsContact C-N 3.29Å; V833-L835 PolarHBondContact O-N 3.4Å; V833-P836 VanDerWaalsContact O-CD 3.26Å; V833-P836 WeakPolarHBondContact O-CD 3.47Å; V833-P836 WeakPolarHBondContact O-CG 3.38Å; V833-V837 HydrophobicContact CG2-CG2 4.09Å; V833-V837 WeakPolarHBondContact O-CB 3.44Å; V833-V837 WeakPolarHBondContact O-CG2 3.08Å; V833-V837 PolarHBondContact O-N 3.24Å
834	W	93.2	Very high	91.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-32.8	174.6	59.4	-94.7	0	0	0	113.4	T648 L652 S781 I784 F794 S831 M832 L838	T648-W834 HydrophobicContact CG2-CB 4.04Å; L652-W834 HydrophobicContact CD1-CD2 4.26Å; L652-W834 HydrophobicContact CD1-CE3 3.38Å; L652-W834 HydrophobicContact CD1-CZ3 3.81Å; S781-W834 WeakPolarHBondContact O-CZ2 3.3Å; I784-W834 HydrophobicContact CB-CH2 4.36Å; I784-W834 HydrophobicContact CD1-CH2 3.84Å; I784-W834 HydrophobicContact CD1-CZ2 4.43Å; I784-W834 HydrophobicContact CG2-CH2 4.31Å; I784-W834 HydrophobicContact CG2-CZ3 4.34Å; F794-W834 HydrophobicContact CE1-CB 3.95Å; F794-W834 HydrophobicContact CZ-CB 3.87Å; S831-W834 PolarHBondContact O-NE1 2.95Å; S831-W834 VanDerWaalsContact O-NE1 3.13Å; M832-W834 HydrophobicContact CE-CZ2 4.43Å; M832-W834 PolarHBondContact O-N 2.97Å; W834-L838 WeakPolarHBondContact O-CB 3.33Å; W834-L838 PolarHBondContact O-N 3.29Å
835	L	93.4	Very high	91	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.9	-49.5	-178	-175.9	53.3	0	0	0	113.5	L751 Y755 M832 V833 V837 L838 H839	L751-L835 HydrophobicContact CD1-CG 4.08Å; Y755-L835 HydrophobicContact CD1-CD2 4.34Å; Y755-L835 HydrophobicContact CE1-CD2 3.76Å; Y755-L835 HydrophobicContact CE1-CG 4.2Å; M832-L835 HydrophobicContact CE-CD2 4.07Å; M832-L835 PolarHBondContact O-N 3.45Å; V833-L835 VanDerWaalsContact C-N 3.29Å; V833-L835 PolarHBondContact O-N 3.4Å; L835-V837 VanDerWaalsContact C-N 3.26Å; L835-V837 PolarHBondContact O-N 3.37Å; L835-L838 HydrophobicContact CD1-CD2 4.37Å; L835-L838 WeakPolarHBondContact O-CB 3.48Å; L835-L838 PolarHBondContact O-N 3.04Å; L835-H839 PolarHBondContact O-CD2 2.86Å; L835-H839 VanDerWaalsContact O-CD2 3.29Å; L835-H839 PolarHBondContact O-N 3.19Å
836	P	93.2	Very high	90.8	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.039	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-34.9	172	21.4	-28.2	0	0	0	111.9	L751 Y755 E828 M832 V833 H839 R840	L751-P836 HydrophobicContact CD2-CB 3.74Å; Y755-P836 WeakPolarHBondContact OH-CD 3.4Å; E828-P836 HydrophobicContact CG-CG 4.17Å; M832-P836 WeakPolarHBondContact O-CD 3.45Å; V833-P836 VanDerWaalsContact O-CD 3.26Å; V833-P836 WeakPolarHBondContact O-CD 3.47Å; V833-P836 WeakPolarHBondContact O-CG 3.38Å; P836-H839 PolarHBondContact O-N 3.47Å; P836-R840 WeakPolarHBondContact O-CG 3.47Å; P836-R840 PolarHBondContact O-N 3.33Å
837	V	92.8	Very high	90.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-39.2	176.3	-178.1	0	0	0	0	111.1	A645 Y646 A649 V833 L835 H839 R840 V841	A645-V837 HydrophobicContact CB-CG2 4.13Å; Y646-V837 HydrophobicContact CD1-CG1 3.68Å; Y646-V837 HydrophobicContact CE1-CG1 3.91Å; Y646-V837 HydrophobicContact CG-CG1 4.13Å; A649-V837 HydrophobicContact CB-CB 3.96Å; A649-V837 HydrophobicContact CB-CG1 3.53Å; V833-V837 HydrophobicContact CG2-CG2 4.09Å; V833-V837 WeakPolarHBondContact O-CB 3.44Å; V833-V837 WeakPolarHBondContact O-CG2 3.08Å; V833-V837 PolarHBondContact O-N 3.24Å; L835-V837 VanDerWaalsContact C-N 3.26Å; L835-V837 PolarHBondContact O-N 3.37Å; V837-H839 VanDerWaalsContact C-N 3.3Å; V837-H839 PolarHBondContact O-N 2.84Å; V837-R840 PolarHBondContact O-N 2.91Å; V837-R840 VanDerWaalsContact O-N 3.11Å; V837-V841 HydrophobicContact CG1-CG2 4.39Å; V837-V841 WeakPolarHBondContact O-CG2 3.35Å; V837-V841 PolarHBondContact O-N 3.13Å
838	L	94.9	Very high	91.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-55.9	-44	172.4	171.6	63.2	0	0	0	111.8	A649 L652 R653 L746 W834 L835 R840 V841 A842	A649-L838 HydrophobicContact CB-CB 4.24Å; A649-L838 WeakPolarHBondContact O-CD1 3.44Å; L652-L838 HydrophobicContact CB-CD1 4.11Å; L652-L838 HydrophobicContact CB-CD2 4.23Å; R653-L838 HydrophobicContact CB-CD1 3.74Å; L746-L838 HydrophobicContact CD2-CD2 3.94Å; W834-L838 WeakPolarHBondContact O-CB 3.33Å; W834-L838 PolarHBondContact O-N 3.29Å; L835-L838 HydrophobicContact CD1-CD2 4.37Å; L835-L838 WeakPolarHBondContact O-CB 3.48Å; L835-L838 PolarHBondContact O-N 3.04Å; L838-R840 VanDerWaalsContact C-N 3.35Å; L838-R840 PolarHBondContact O-N 3.06Å; L838-V841 PolarHBondContact O-N 3.36Å; L838-A842 PolarHBondContact O-N 2.99Å
839	H	93.3	Very high	91.1	Very high	44 Å²	44	27.1 Å²	27.1	20%	0.204	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-38.2	176	-80.7	-112.6	0	0	0	112.5	A749 K754 L835 P836 V837 A842 A843	A749-H839 PolarHBondContact O-CE1 3.11Å; K754-H839 WeakPolarHBondContact CD-NE2 3.32Å; K754-H839 WeakPolarHBondContact CE-NE2 3.41Å; K754-H839 PolarHBondContact NZ-CE1 3.19Å; K754-H839 PolarHBondContact NZ-NE2 3.11Å; L835-H839 PolarHBondContact O-CD2 2.86Å; L835-H839 VanDerWaalsContact O-CD2 3.29Å; L835-H839 PolarHBondContact O-N 3.19Å; P836-H839 PolarHBondContact O-N 3.47Å; V837-H839 VanDerWaalsContact C-N 3.3Å; V837-H839 PolarHBondContact O-N 2.84Å; H839-A842 PolarHBondContact O-N 3.18Å; H839-A843 WeakPolarHBondContact O-CB 3.5Å; H839-A843 PolarHBondContact O-N 3.34Å
840	R	92.9	Very high	91.2	Very high	36 Å²	36	33.8 Å²	33.8	14%	0.136	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-40.5	173.7	-67.1	-163.1	-62.9	-89.2	15	112	E828 P836 V837 L838 A843 A844 F864 E898 C900	E828-R840 IonicContact OE1-CZ 2.82Å; E828-R840 IonicContact OE1-NH1 3.25Å; E828-R840 PolarHBondContact OE1-NH1 3.41Å; E828-R840 IonicContact OE1-NH2 2.76Å; E828-R840 IonicContact OE2-NH1 2.89Å; E828-R840 IonicContact OE2-NH2 3.12Å; P836-R840 WeakPolarHBondContact O-CG 3.47Å; P836-R840 PolarHBondContact O-N 3.33Å; V837-R840 PolarHBondContact O-N 2.91Å; V837-R840 VanDerWaalsContact O-N 3.11Å; L838-R840 VanDerWaalsContact C-N 3.35Å; L838-R840 PolarHBondContact O-N 3.06Å; R840-A843 PolarHBondContact O-N 3.08Å; R840-A844 VanDerWaalsContact O-CB 3.3Å; R840-A844 WeakPolarHBondContact O-CB 3.42Å; R840-A844 PolarHBondContact O-N 3.34Å; R840-F864 VanDerWaalsContact C-CZ 3.47Å; R840-F864 HydrophobicContact CB-CE1 3.87Å; R840-F864 HydrophobicContact CB-CZ 3.85Å; R840-F864 WeakPolarHBondContact O-CZ 3.47Å; R840-E898 WeakPolarHBondContact CD-OE1 3.45Å; R840-E898 IonicContact CZ-OE1 3.36Å; R840-E898 IonicContact NE-OE1 3.99Å; R840-E898 PolarHBondContact NE-OE1 3.24Å; R840-C900 HydrophobicContact CB-CB 4.25Å
841	V	93.3	Very high	91.4	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-48.4	175	170.8	0	0	0	0	109.9	A649 M650 R653 V837 L838 A843 A844 E845 F864	A649-V841 HydrophobicContact CB-CG2 3.85Å; M650-V841 HydrophobicContact CG-CG1 4.15Å; M650-V841 HydrophobicContact CG-CG2 4.19Å; R653-V841 HydrophobicContact CB-CG1 4.13Å; R653-V841 HydrophobicContact CG-CG1 4.13Å; V837-V841 HydrophobicContact CG1-CG2 4.39Å; V837-V841 WeakPolarHBondContact O-CG2 3.35Å; V837-V841 PolarHBondContact O-N 3.13Å; L838-V841 PolarHBondContact O-N 3.36Å; V841-A843 VanDerWaalsContact C-N 3.34Å; V841-A843 PolarHBondContact O-N 2.7Å; V841-A844 PolarHBondContact O-N 3.1Å; V841-A844 VanDerWaalsContact O-N 3.17Å; V841-E845 WeakPolarHBondContact O-CG 3.39Å; V841-E845 PolarHBondContact O-N 3.27Å; V841-E845 VanDerWaalsContact O-N 3.15Å; V841-F864 HydrophobicContact CB-CE2 4.36Å; V841-F864 HydrophobicContact CB-CZ 4.49Å; V841-F864 HydrophobicContact CG2-CE2 3.85Å; V841-F864 HydrophobicContact CG2-CZ 4.02Å
842	A	92.7	Very high	91.7	Very high	28 Å²	28	36.8 Å²	36.8	23%	0.231	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-40.9	178.2	0	0	0	0	0	112.6	L838 H839	L838-A842 PolarHBondContact O-N 2.99Å; H839-A842 PolarHBondContact O-N 3.18Å
843	A	90.7	Very high	91.8	Very high	39 Å²	39	36.6 Å²	36.6	32%	0.322	19%	0.189	S	C	.	.	H	α-helix	trans	-66.6	-37.4	175.3	0	0	0	0	0	112.6	H839 R840 V841 C900 T901	H839-A843 WeakPolarHBondContact O-CB 3.5Å; H839-A843 PolarHBondContact O-N 3.34Å; R840-A843 PolarHBondContact O-N 3.08Å; V841-A843 VanDerWaalsContact C-N 3.34Å; V841-A843 PolarHBondContact O-N 2.7Å; A843-C900 CarbonylContact C-O 3.48Å; A843-C900 VanDerWaalsContact C-O 3.24Å; A843-T901 HydrophobicContact CB-CG2 4.46Å
844	A	92.6	Very high	91.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.7	-30.2	-177.3	0	0	0	0	0	113.1	R840 V841 T846 A847 G863 F864 C900	R840-A844 VanDerWaalsContact O-CB 3.3Å; R840-A844 WeakPolarHBondContact O-CB 3.42Å; R840-A844 PolarHBondContact O-N 3.34Å; V841-A844 PolarHBondContact O-N 3.1Å; V841-A844 VanDerWaalsContact O-N 3.17Å; A844-T846 PolarHBondContact O-N 3.33Å; A844-A847 WeakPolarHBondContact O-CB 3.24Å; A844-A847 PolarHBondContact O-N 3.41Å; A844-G863 VanDerWaalsContact O-CA 3.23Å; A844-G863 WeakPolarHBondContact O-CA 3.45Å; A844-F864 HydrophobicContact CB-CD1 4.07Å; A844-F864 HydrophobicContact CB-CD2 3.72Å; A844-F864 HydrophobicContact CB-CE1 4.09Å; A844-F864 HydrophobicContact CB-CE2 3.7Å; A844-F864 HydrophobicContact CB-CG 3.92Å; A844-F864 HydrophobicContact CB-CZ 3.9Å; A844-C900 VanDerWaalsContact CA-O 3.29Å; A844-C900 WeakPolarHBondContact CA-O 3.49Å; A844-C900 HydrophobicContact CB-CB 4.07Å; A844-C900 PolarHBondContact N-O 3.3Å
845	E	90.5	Very high	91.8	Very high	72 Å²	72	40.5 Å²	40.5	34%	0.336	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-33.4	-177.1	-76.3	179.9	162.5	0	0	113.9	R653 K657 V841	R653-E845 WeakPolarHBondContact CG-OE1 3.42Å; R653-E845 IonicContact CZ-OE2 3.94Å; R653-E845 VanDerWaalsContact NE-CD 3.34Å; R653-E845 IonicContact NE-OE1 3.56Å; R653-E845 PolarHBondContact NE-OE1 3.27Å; R653-E845 VanDerWaalsContact NE-OE1 3.07Å; R653-E845 IonicContact NE-OE2 3.49Å; R653-E845 PolarHBondContact NE-OE2 3.28Å; R653-E845 VanDerWaalsContact NE-OE2 3.09Å; R653-E845 IonicContact NH2-OE2 3.86Å; R653-E845 PolarHBondContact NH2-OE2 2.92Å; K657-E845 IonicContact NZ-OE1 3.36Å; K657-E845 PolarHBondContact NZ-OE1 3.49Å; K657-E845 IonicContact NZ-OE2 3.79Å; K657-E845 PolarHBondContact NZ-OE2 3.16Å; V841-E845 WeakPolarHBondContact O-CG 3.39Å; V841-E845 PolarHBondContact O-N 3.27Å; V841-E845 VanDerWaalsContact O-N 3.15Å
846	T	87.6	Confident	91.8	Very high	126 Å²	126	42.9 Å²	42.9	77%	0.773	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-0.1	-179.4	59.4	0	0	0	0	113.2	A844	A844-T846 PolarHBondContact O-N 3.33Å
847	A	90.2	Very high	91.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	25%	0.248	C	C	.	.			trans	-76.3	130	-179.3	0	0	0	0	0	111.3	A844 G863 C900	A844-A847 WeakPolarHBondContact O-CB 3.24Å; A844-A847 PolarHBondContact O-N 3.41Å; A847-G863 PolarHBondContact O-N 3.17Å; A847-C900 WeakPolarHBondContact CB-O 3.44Å
848	K	91.2	Very high	91.8	Very high	119 Å²	119	52.8 Å²	52.8	52%	0.517	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.4	177.7	-172.4	176.9	-177	176.3	0	109.7	P860	K848-P860 HydrophobicContact CD-CG 4.28Å; K848-P860 HydrophobicContact CG-CB 4.07Å; K848-P860 HydrophobicContact CG-CG 4.11Å
849	H	89.6	Confident	91.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.7	-179.1	-56.4	-89.5	0	0	0	110.7	A851 P860 I861 G863 R865 T901 T903	H849-A851 HydrophobicContact CB-CB 4.44Å; H849-A851 PolarHBondContact O-N 3.07Å; H849-P860 CarbonylContact O-C 3.51Å; H849-P860 WeakPolarHBondContact O-CA 3.45Å; H849-P860 WeakPolarHBondContact O-CB 3.36Å; H849-I861 HydrophobicContact CB-CB 4.28Å; H849-I861 PolarHBondContact N-O 3.46Å; H849-I861 PolarHBondContact O-N 3.42Å; H849-G863 PolarHBondContact CD2-O 3.23Å; H849-G863 PolarHBondContact NE2-O 3.09Å; H849-R865 HydrophobicContact CB-CB 4.36Å; H849-T901 PolarHBondContact CE1-O 3.28Å; H849-T903 PolarHBondContact ND1-OG1 3.04Å
850	Q	89.8	Confident	91.5	Very high	157 Å²	157	55.9 Å²	55.9	73%	0.734	30%	0.295	S	S	*	.	S	Bend	trans	-75.8	50	173.3	-58.9	-63.9	-10.7	0	0	111.6
851	A	88.4	Confident	91.5	Very high	9 Å²	9	54.2 Å²	54.2	7%	0.074	29%	0.288	C	S	.	.			trans	-126.9	149.8	-179.7	0	0	0	0	0	109.7	H849 I861	H849-A851 HydrophobicContact CB-CB 4.44Å; H849-A851 PolarHBondContact O-N 3.07Å; A851-I861 HydrophobicContact CB-CD1 4.24Å; A851-I861 WeakPolarHBondContact O-CG1 3.18Å; A851-I861 PolarHBondContact O-N 3.11Å
852	K	92.6	Very high	91.4	Very high	121 Å²	121	58.8 Å²	58.8	53%	0.526	31%	0.311	S	S	.	.			trans	-102.4	128.8	179.5	-179.1	174.9	-175	173.2	0	110	N854 K857 E858 C859	K852-N854 PolarHBondContact O-N 3.45Å; K852-N854 PolarHBondContact O-OD1 2.71Å; K852-K857 WeakPolarHBondContact CE-O 3.24Å; K852-E858 WeakPolarHBondContact CA-O 3.48Å; K852-C859 HydrophobicContact CB-CB 4.02Å; K852-C859 HydrophobicContact CG-CB 4.15Å
853	C	93.7	Very high	91.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.302	C	S	.	.			trans	-65.9	128.4	175.4	-179.4	0	0	0	0	111.2	I855 C856 K857 E858 I861 C877	C853-I855 PolarHBondContact O-N 2.99Å; C853-I855 PolarHBondContact SG-N 3.46Å; C853-I855 VanDerWaalsContact SG-N 3.39Å; C853-C856 VanDerWaalsContact CB-SG 3.59Å; C853-C856 VanDerWaalsContact SG-SG 3.62Å; C853-K857 WeakPolarHBondContact O-CA 3.49Å; C853-K857 PolarHBondContact O-N 2.67Å; C853-E858 PolarHBondContact N-O 3.05Å; C853-I861 HydrophobicContact CB-CD1 4.18Å; C853-I861 HydrophobicContact CB-CG1 4.3Å; C853-C877 HydrophobicContact CB-CB 4.06Å; C853-C877 PolarHBondContact SG-N 3.25Å; C853-C877 VanDerWaalsContact SG-N 3.38Å
854	N	93.4	Very high	91.4	Very high	45 Å²	45	55.8 Å²	55.8	24%	0.241	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.7	179.8	-67.7	66.8	0	0	0	113.2	K852 K857 N873 Y874 D875	K852-N854 PolarHBondContact O-N 3.45Å; K852-N854 PolarHBondContact O-OD1 2.71Å; N854-K857 PolarHBondContact O-NZ 3.39Å; N854-N873 PolarHBondContact ND2-O 3.38Å; N854-N873 PolarHBondContact OD1-O 3.15Å; N854-Y874 HydrophobicContact CB-CD2 4.01Å; N854-Y874 HydrophobicContact CB-CE1 4.34Å; N854-Y874 HydrophobicContact CB-CE2 3.84Å; N854-Y874 HydrophobicContact CB-CG 4.34Å; N854-D875 PolarHBondContact N-O 2.95Å; N854-D875 PolarHBondContact OD1-N 3.11Å; N854-D875 PolarHBondContact OD1-O 3.26Å; N854-D875 VanDerWaalsContact OD1-O 3.1Å
855	I	92.1	Very high	91.4	Very high	37 Å²	37	56.2 Å²	56.2	19%	0.19	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-71.6	-179.6	-60	171.6	0	0	0	110.7	C853 I876 C880 R885 A887	C853-I855 PolarHBondContact O-N 2.99Å; C853-I855 PolarHBondContact SG-N 3.46Å; C853-I855 VanDerWaalsContact SG-N 3.39Å; I855-I876 HydrophobicContact CD1-CD1 4.28Å; I855-I876 HydrophobicContact CD1-CG1 4.26Å; I855-I876 HydrophobicContact CD1-CG2 3.89Å; I855-C880 HydrophobicContact CB-CB 4.12Å; I855-C880 HydrophobicContact CD1-CB 3.95Å; I855-C880 HydrophobicContact CG2-CB 4.22Å; I855-R885 HydrophobicContact CD1-CB 4.37Å; I855-R885 WeakPolarHBondContact CD1-O 3.49Å; I855-R885 HydrophobicContact CG2-CB 3.99Å; I855-A887 HydrophobicContact CG1-CB 4.24Å
856	C	93.2	Very high	91.4	Very high	51 Å²	51	52.8 Å²	52.8	35%	0.345	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.2	-177.4	64.4	0	0	0	0	114.5	C853 E858 C877 C880	C853-C856 VanDerWaalsContact CB-SG 3.59Å; C853-C856 VanDerWaalsContact SG-SG 3.62Å; C856-E858 PolarHBondContact O-N 3.49Å; C856-E858 WeakPolarHBondContact SG-CB 3.27Å; C856-C877 PolarHBondContact SG-SG 3Å; C856-C880 VanDerWaalsContact SG-SG 3.65Å
857	K	94	Very high	91.4	Very high	120 Å²	120	47.2 Å²	47.2	52%	0.522	24%	0.237	S	C	.	.			trans	66.9	7.8	-179.2	-48.9	-51.7	-173.7	-172.7	0	115.9	K852 C853 N854	K852-K857 WeakPolarHBondContact CE-O 3.24Å; C853-K857 WeakPolarHBondContact O-CA 3.49Å; C853-K857 PolarHBondContact O-N 2.67Å; N854-K857 PolarHBondContact O-NZ 3.39Å
858	E	92.3	Very high	91.2	Very high	93 Å²	93	47.1 Å²	47.1	44%	0.435	24%	0.237	S	C	.	.			trans	-60	134.5	174.2	-170.2	175.1	-172.9	0	0	111.9	K852 C853 C856	K852-E858 WeakPolarHBondContact CA-O 3.48Å; C853-E858 PolarHBondContact N-O 3.05Å; C856-E858 PolarHBondContact O-N 3.49Å; C856-E858 WeakPolarHBondContact SG-CB 3.27Å
859	C	89.7	Confident	90.7	Very high	76 Å²	76	42.4 Å²	42.4	51%	0.514	22%	0.217	S	C	.	.	S	Bend	trans	-154.9	130.9	178.7	-173.4	0	0	0	0	108.8	K852	K852-C859 HydrophobicContact CB-CB 4.02Å; K852-C859 HydrophobicContact CG-CB 4.15Å
860	P	91.6	Very high	90.2	Very high	36 Å²	36	46.3 Å²	46.3	23%	0.234	23%	0.234	C	C	.	.	S	Bend	cis	-71	151.7	-4.5	27.7	-29.9	0	0	0	111.8	K848 H849 I862	K848-P860 HydrophobicContact CD-CG 4.28Å; K848-P860 HydrophobicContact CG-CB 4.07Å; K848-P860 HydrophobicContact CG-CG 4.11Å; H849-P860 CarbonylContact O-C 3.51Å; H849-P860 WeakPolarHBondContact O-CA 3.45Å; H849-P860 WeakPolarHBondContact O-CB 3.36Å; P860-I862 PolarHBondContact O-N 3.06Å
861	I	92.9	Very high	89.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.9	171.2	-67.2	167.5	0	0	0	108.2	H849 A851 C853 F864 R865 D875 C877	H849-I861 HydrophobicContact CB-CB 4.28Å; H849-I861 PolarHBondContact N-O 3.46Å; H849-I861 PolarHBondContact O-N 3.42Å; A851-I861 HydrophobicContact CB-CD1 4.24Å; A851-I861 WeakPolarHBondContact O-CG1 3.18Å; A851-I861 PolarHBondContact O-N 3.11Å; C853-I861 HydrophobicContact CB-CD1 4.18Å; C853-I861 HydrophobicContact CB-CG1 4.3Å; I861-F864 WeakPolarHBondContact CG2-O 3.32Å; I861-R865 HydrophobicContact CD1-CG 4.39Å; I861-R865 HydrophobicContact CG2-CB 4.26Å; I861-D875 HydrophobicContact CD1-CB 4.22Å; I861-C877 HydrophobicContact CD1-CB 4.37Å; I861-C877 HydrophobicContact CG1-CB 4.04Å; I861-C877 HydrophobicContact CG2-CB 3.89Å
862	I	90.7	Very high	89.4	Confident	104 Å²	104	46.4 Å²	46.4	53%	0.533	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.7	172.9	-57.6	171.8	0	0	0	107.9	P860	P860-I862 PolarHBondContact O-N 3.06Å
863	G	91.6	Very high	88.9	Confident	4 Å²	4	44.3 Å²	44.3	4%	0.041	23%	0.226	C	C	.	.	S	Bend	trans	88.5	-152.9	-171.1	0	0	0	0	0	112.1	A844 A847 H849	A844-G863 VanDerWaalsContact O-CA 3.23Å; A844-G863 WeakPolarHBondContact O-CA 3.45Å; A847-G863 PolarHBondContact O-N 3.17Å; H849-G863 PolarHBondContact CD2-O 3.23Å; H849-G863 PolarHBondContact NE2-O 3.09Å
864	F	92.8	Very high	88.6	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.23	C	C	.	.			trans	-63.6	136.6	178.9	-71.5	-83.6	0	0	0	113.2	Y646 R840 V841 A844 I861 Y866 Q878 F882 E898 Y899 C900	Y646-F864 HydrophobicContact CD1-CE2 4.29Å; Y646-F864 HydrophobicContact CD1-CZ 4.3Å; Y646-F864 HydrophobicContact CE1-CE1 4.14Å; Y646-F864 HydrophobicContact CE1-CE2 4.21Å; Y646-F864 AromaticContact CE1-CZ 3.87Å; Y646-F864 HydrophobicContact CE1-CZ 3.87Å; R840-F864 VanDerWaalsContact C-CZ 3.47Å; R840-F864 HydrophobicContact CB-CE1 3.87Å; R840-F864 HydrophobicContact CB-CZ 3.85Å; R840-F864 WeakPolarHBondContact O-CZ 3.47Å; V841-F864 HydrophobicContact CB-CE2 4.36Å; V841-F864 HydrophobicContact CB-CZ 4.49Å; V841-F864 HydrophobicContact CG2-CE2 3.85Å; V841-F864 HydrophobicContact CG2-CZ 4.02Å; A844-F864 HydrophobicContact CB-CD1 4.07Å; A844-F864 HydrophobicContact CB-CD2 3.72Å; A844-F864 HydrophobicContact CB-CE1 4.09Å; A844-F864 HydrophobicContact CB-CE2 3.7Å; A844-F864 HydrophobicContact CB-CG 3.92Å; A844-F864 HydrophobicContact CB-CZ 3.9Å; I861-F864 WeakPolarHBondContact CG2-O 3.32Å; F864-Y866 HydrophobicContact CB-CD2 4.3Å; F864-Y866 HydrophobicContact CB-CE2 3.51Å; F864-Y866 HydrophobicContact CG-CE2 4.33Å; F864-Q878 HydrophobicContact CB-CB 4.11Å; F864-Q878 HydrophobicContact CB-CG 4.37Å; F864-Q878 HydrophobicContact CD2-CG 4.13Å; F864-Q878 PolarHBondContact O-N 3.49Å; F864-F882 AromaticContact CD2-CZ 3.93Å; F864-F882 HydrophobicContact CD2-CZ 3.93Å; F864-F882 HydrophobicContact CE2-CZ 4.2Å; F864-E898 HydrophobicContact CD1-CG 3.72Å; F864-E898 VanDerWaalsContact CD1-OE2 3.27Å; F864-E898 WeakPolarHBondContact CD1-OE2 3.48Å; F864-E898 VanDerWaalsContact CE1-CD 3.42Å; F864-E898 HydrophobicContact CE1-CG 4.04Å; F864-E898 VanDerWaalsContact CE1-OE2 3.29Å; F864-E898 WeakPolarHBondContact CE1-OE2 3.45Å; F864-Y899 WeakPolarHBondContact CA-O 3.33Å; F864-C900 HydrophobicContact CD1-CB 3.86Å; F864-C900 HydrophobicContact CE1-CB 3.57Å; F864-C900 HydrophobicContact CZ-CB 4.44Å
865	R	91.7	Very high	88.5	Confident	8 Å²	8	43.6 Å²	43.6	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.6	166.9	171.9	-173.9	-179.9	-167.4	2.9	109.9	H849 I861 R867 D875 Y899 T903 D908	H849-R865 HydrophobicContact CB-CB 4.36Å; I861-R865 HydrophobicContact CD1-CG 4.39Å; I861-R865 HydrophobicContact CG2-CB 4.26Å; R865-R867 VanDerWaalsContact NH2-NH1 3.14Å; R865-D875 IonicContact CZ-OD1 3.15Å; R865-D875 VanDerWaalsContact CZ-OD1 3.25Å; R865-D875 IonicContact NE-OD1 2.81Å; R865-D875 PolarHBondContact NE-OD1 2.8Å; R865-D875 VanDerWaalsContact NH2-CG 3.32Å; R865-D875 IonicContact NH2-OD1 2.77Å; R865-D875 PolarHBondContact NH2-OD1 3.38Å; R865-D875 IonicContact NH2-OD2 2.73Å; R865-D875 PolarHBondContact NH2-OD2 2.96Å; R865-D875 VanDerWaalsContact NH2-OD2 3.12Å; R865-Y899 HydrophobicContact CG-CD2 4.3Å; R865-Y899 PolarHBondContact N-O 3.08Å; R865-Y899 PolarHBondContact O-N 3.39Å; R865-T903 PolarHBondContact NH1-OG1 3.46Å; R865-D908 IonicContact CZ-OD1 3.37Å; R865-D908 IonicContact NH1-OD1 2.67Å; R865-D908 PolarHBondContact NH1-OD1 3.45Å; R865-D908 IonicContact NH1-OD2 3.76Å; R865-D908 IonicContact NH2-OD1 3.81Å; R865-D908 PolarHBondContact NH2-OD1 2.82Å
866	Y	90	Very high	88.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.1	175.5	-61.5	-83.6	0	0	0	110.6	Y646 F864 D875 I876 F881 F882 V897 E898	Y646-Y866 WeakPolarHBondContact CE1-OH 3.2Å; F864-Y866 HydrophobicContact CB-CD2 4.3Å; F864-Y866 HydrophobicContact CB-CE2 3.51Å; F864-Y866 HydrophobicContact CG-CE2 4.33Å; Y866-D875 CarbonylContact O-C 3.53Å; Y866-D875 WeakPolarHBondContact O-CA 3.27Å; Y866-I876 PolarHBondContact N-O 2.89Å; Y866-I876 PolarHBondContact O-N 3.2Å; Y866-F881 AromaticContact CD1-CD1 4Å; Y866-F881 HydrophobicContact CD1-CD1 4Å; Y866-F881 HydrophobicContact CD1-CD2 4.12Å; Y866-F881 AromaticContact CD1-CE1 3.95Å; Y866-F881 HydrophobicContact CD1-CE1 3.95Å; Y866-F881 HydrophobicContact CD1-CE2 4.07Å; Y866-F881 HydrophobicContact CD1-CG 4.09Å; Y866-F881 AromaticContact CD1-CZ 3.99Å; Y866-F881 HydrophobicContact CD1-CZ 3.99Å; Y866-F881 HydrophobicContact CD2-CB 3.39Å; Y866-F881 AromaticContact CD2-CD1 3.73Å; Y866-F881 HydrophobicContact CD2-CD1 3.73Å; Y866-F881 AromaticContact CD2-CD2 3.98Å; Y866-F881 HydrophobicContact CD2-CD2 3.98Å; Y866-F881 AromaticContact CD2-CG 3.43Å; Y866-F881 HydrophobicContact CD2-CG 3.43Å; Y866-F881 VanDerWaalsContact CD2-CG 3.43Å; Y866-F881 AromaticContact CE1-CD1 3.62Å; Y866-F881 HydrophobicContact CE1-CD1 3.62Å; Y866-F881 AromaticContact CE1-CE1 3.5Å; Y866-F881 HydrophobicContact CE1-CE1 3.5Å; Y866-F881 VanDerWaalsContact CE1-CE1 3.5Å; Y866-F881 HydrophobicContact CE1-CE2 4.45Å; Y866-F881 HydrophobicContact CE1-CG 4.17Å; Y866-F881 AromaticContact CE1-CZ 3.95Å; Y866-F881 HydrophobicContact CE1-CZ 3.95Å; Y866-F881 HydrophobicContact CE2-CB 3.55Å; Y866-F881 AromaticContact CE2-CD1 3.3Å; Y866-F881 HydrophobicContact CE2-CD1 3.3Å; Y866-F881 HydrophobicContact CE2-CD2 4.41Å; Y866-F881 HydrophobicContact CE2-CE1 4.09Å; Y866-F881 AromaticContact CE2-CG 3.51Å; Y866-F881 HydrophobicContact CE2-CG 3.51Å; Y866-F881 HydrophobicContact CG-CB 4.14Å; Y866-F881 HydrophobicContact CG-CD1 4.05Å; Y866-F881 AromaticContact CG-CD2 3.83Å; Y866-F881 HydrophobicContact CG-CD2 3.83Å; Y866-F881 HydrophobicContact CG-CE1 4.44Å; Y866-F881 HydrophobicContact CG-CE2 4.23Å; Y866-F881 AromaticContact CG-CG 3.74Å; Y866-F881 HydrophobicContact CG-CG 3.74Å; Y866-F881 AromaticContact CZ-CD1 3.27Å; Y866-F881 AromaticContact CZ-CE1 3.6Å; Y866-F881 AromaticContact CZ-CG 3.91Å; Y866-F882 HydrophobicContact CE2-CE1 4.35Å; Y866-F882 VanDerWaalsContact OH-CE1 3.3Å; Y866-F882 WeakPolarHBondContact OH-CE1 3.16Å; Y866-V897 CarbonylContact C-O 3.58Å; Y866-V897 WeakPolarHBondContact CA-O 3.28Å; Y866-E898 HydrophobicContact CD1-CB 4.13Å; Y866-E898 HydrophobicContact CD1-CG 4.43Å; Y866-E898 HydrophobicContact CE1-CB 3.93Å; Y866-E898 HydrophobicContact CE1-CG 3.88Å; Y866-E898 WeakPolarHBondContact CE1-OE2 3.43Å; Y866-E898 VanDerWaalsContact CZ-OE2 3.32Å; Y866-E898 PolarHBondContact OH-OE2 3.35Å
867	R	87.7	Confident	88.4	Confident	9 Å²	9	39.6 Å²	39.6	3%	0.034	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.9	-178.7	-173.2	170.8	179.2	128.9	12.7	111.1	R865 N873 M896 V897 Y899 D908	R865-R867 VanDerWaalsContact NH2-NH1 3.14Å; R867-N873 PolarHBondContact NH2-OD1 3.26Å; R867-M896 CarbonylContact O-C 3.52Å; R867-M896 VanDerWaalsContact O-CA 3.3Å; R867-M896 WeakPolarHBondContact O-CA 3.42Å; R867-V897 PolarHBondContact N-O 3.38Å; R867-V897 PolarHBondContact O-N 2.99Å; R867-Y899 HydrophobicContact CB-CD2 4.41Å; R867-Y899 HydrophobicContact CB-CE2 3.89Å; R867-D908 IonicContact CZ-OD1 3.54Å; R867-D908 IonicContact NH1-OD1 3.87Å; R867-D908 PolarHBondContact NH1-OD1 3.1Å
868	S	85.6	Confident	88.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.8	175.9	-170.5	0	0	0	0	111.9	K870 H871 Y874 H890 M896	S868-K870 VanDerWaalsContact C-N 3.27Å; S868-K870 PolarHBondContact OG-N 3.5Å; S868-H871 PolarHBondContact OG-N 3.37Å; S868-Y874 PolarHBondContact N-O 2.94Å; S868-H890 PolarHBondContact OG-CE1 3Å; S868-M896 WeakPolarHBondContact CA-SD 3.46Å
869	L	81.7	Confident	88.2	Confident	20 Å²	20	34.6 Å²	34.6	11%	0.105	18%	0.181	C	C	.	.	S	Bend	trans	-87	3.4	171	-64.5	-179.3	0	0	0	113.5	P895 V897 D911 K914 V915 N918	L869-P895 HydrophobicContact CB-CB 4.2Å; L869-P895 WeakPolarHBondContact CB-O 3.42Å; L869-P895 HydrophobicContact CD1-CB 4.29Å; L869-P895 PolarHBondContact N-O 2.86Å; L869-V897 HydrophobicContact CD1-CG2 3.63Å; L869-V897 HydrophobicContact CD2-CG2 3.53Å; L869-V897 HydrophobicContact CG-CG2 3.64Å; L869-D911 HydrophobicContact CD2-CB 4.4Å; L869-K914 HydrophobicContact CD2-CB 4.16Å; L869-K914 HydrophobicContact CD2-CD 4.31Å; L869-V915 HydrophobicContact CD2-CG2 4.49Å; L869-N918 PolarHBondContact O-ND2 3.15Å
870	K	79.8	Confident	88.2	Confident	81 Å²	81	31 Å²	31	35%	0.352	16%	0.157	S	C	.	.	S	Bend	trans	-109.1	-40.3	176.7	-172.1	176.1	178	180	0	112.2	S868 Y894	S868-K870 VanDerWaalsContact C-N 3.27Å; S868-K870 PolarHBondContact OG-N 3.5Å; K870-Y894 HydrophobicContact CB-CD2 4.36Å; K870-Y894 HydrophobicContact CB-CG 4.39Å; K870-Y894 HydrophobicContact CD-CD1 3.72Å; K870-Y894 HydrophobicContact CD-CD2 3.64Å; K870-Y894 HydrophobicContact CD-CE1 3.79Å; K870-Y894 HydrophobicContact CD-CE2 3.72Å; K870-Y894 HydrophobicContact CD-CG 3.64Å; K870-Y894 HydrophobicContact CG-CD2 4.46Å; K870-Y894 PolarHBondContact NZ-OH 2.9Å; K870-Y894 VanDerWaalsContact NZ-OH 3.09Å
871	H	81	Confident	88.1	Confident	54 Å²	54	29.5 Å²	29.5	25%	0.25	15%	0.147	C	C	.	.	S	Bend	trans	-102.7	136	179.7	-63.7	163.6	0	0	0	110.9	S868 Y874 G889 H890 Y894	S868-H871 PolarHBondContact OG-N 3.37Å; H871-Y874 HydrophobicContact CB-CD2 4.3Å; H871-Y874 HydrophobicContact CB-CG 4.07Å; H871-G889 PolarHBondContact CE1-O 3.14Å; H871-H890 AromaticContact CE1-ND1 3.57Å; H871-H890 AromaticContact ND1-CG 3.8Å; H871-H890 AromaticContact ND1-ND1 3.13Å; H871-H890 PolarHBondContact ND1-ND1 2.77Å; H871-H890 VanDerWaalsContact ND1-ND1 3.13Å; H871-Y894 AromaticContact CE1-CE2 3.69Å; H871-Y894 AromaticContact NE2-CE2 3.76Å
872	F	79.2	Confident	87.9	Confident	114 Å²	114	29.9 Å²	29.9	50%	0.5	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	133.5	178.7	178.1	-102.3	0	0	0	110.5	Y874 F912	F872-Y874 PolarHBondContact O-N 3.3Å; F872-F912 AromaticContact CD2-CD2 3.85Å; F872-F912 HydrophobicContact CD2-CD2 3.85Å; F872-F912 AromaticContact CD2-CE2 3.9Å; F872-F912 HydrophobicContact CD2-CE2 3.9Å; F872-F912 AromaticContact CE2-CD2 3.45Å; F872-F912 HydrophobicContact CE2-CD2 3.45Å; F872-F912 VanDerWaalsContact CE2-CD2 3.45Å; F872-F912 AromaticContact CE2-CE2 3.42Å; F872-F912 HydrophobicContact CE2-CE2 3.42Å; F872-F912 VanDerWaalsContact CE2-CE2 3.42Å; F872-F912 HydrophobicContact CZ-CE2 4.41Å
873	N	81.4	Confident	87.6	Confident	77 Å²	77	28.2 Å²	28.2	41%	0.412	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	46.8	-179.5	-70.1	-6.3	0	0	0	113.4	N854 R867	N854-N873 PolarHBondContact ND2-O 3.38Å; N854-N873 PolarHBondContact OD1-O 3.15Å; R867-N873 PolarHBondContact NH2-OD1 3.26Å
874	Y	87.8	Confident	87.2	Confident	21 Å²	21	28.7 Å²	28.7	8%	0.082	15%	0.151	C	C	.	.			trans	-109.8	101.7	177.1	-165.9	-76.1	0	0	0	109.2	N854 S868 H871 F872 I876 A887 H890	N854-Y874 HydrophobicContact CB-CD2 4.01Å; N854-Y874 HydrophobicContact CB-CE1 4.34Å; N854-Y874 HydrophobicContact CB-CE2 3.84Å; N854-Y874 HydrophobicContact CB-CG 4.34Å; S868-Y874 PolarHBondContact N-O 2.94Å; H871-Y874 HydrophobicContact CB-CD2 4.3Å; H871-Y874 HydrophobicContact CB-CG 4.07Å; F872-Y874 PolarHBondContact O-N 3.3Å; Y874-I876 HydrophobicContact CD1-CD1 4.4Å; Y874-I876 HydrophobicContact CD1-CG1 4.09Å; Y874-I876 HydrophobicContact CE1-CD1 3.78Å; Y874-I876 HydrophobicContact CE1-CG1 3.65Å; Y874-A887 HydrophobicContact CE2-CB 4.39Å; Y874-A887 WeakPolarHBondContact OH-CB 3.48Å; Y874-A887 PolarHBondContact OH-N 3.4Å; Y874-H890 HydrophobicContact CE1-CB 4.11Å; Y874-H890 AromaticContact CE1-CD2 3.42Å; Y874-H890 VanDerWaalsContact CE1-CD2 3.42Å; Y874-H890 WeakPolarHBondContact CE1-CD2 3.21Å; Y874-H890 AromaticContact CE1-CG 3.57Å; Y874-H890 AromaticContact CE1-ND1 3.96Å; Y874-H890 AromaticContact CE1-NE2 3.77Å; Y874-H890 HydrophobicContact CE2-CB 3.98Å; Y874-H890 AromaticContact CZ-CD2 3.78Å; Y874-H890 AromaticContact CZ-CG 3.63Å
875	D	90.9	Very high	86.8	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.053	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.3	-177.5	-68.5	-71.3	0	0	0	111	N854 I861 R865 Y866	N854-D875 PolarHBondContact N-O 2.95Å; N854-D875 PolarHBondContact OD1-N 3.11Å; N854-D875 PolarHBondContact OD1-O 3.26Å; N854-D875 VanDerWaalsContact OD1-O 3.1Å; I861-D875 HydrophobicContact CD1-CB 4.22Å; R865-D875 IonicContact CZ-OD1 3.15Å; R865-D875 VanDerWaalsContact CZ-OD1 3.25Å; R865-D875 IonicContact NE-OD1 2.81Å; R865-D875 PolarHBondContact NE-OD1 2.8Å; R865-D875 VanDerWaalsContact NH2-CG 3.32Å; R865-D875 IonicContact NH2-OD1 2.77Å; R865-D875 PolarHBondContact NH2-OD1 3.38Å; R865-D875 IonicContact NH2-OD2 2.73Å; R865-D875 PolarHBondContact NH2-OD2 2.96Å; R865-D875 VanDerWaalsContact NH2-OD2 3.12Å; Y866-D875 CarbonylContact O-C 3.53Å; Y866-D875 WeakPolarHBondContact O-CA 3.27Å
876	I	91.9	Very high	86.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.9	179.3	-50.1	177.9	0	0	0	108.3	I855 Y866 Y874 C880 F881 M892 M896	I855-I876 HydrophobicContact CD1-CD1 4.28Å; I855-I876 HydrophobicContact CD1-CG1 4.26Å; I855-I876 HydrophobicContact CD1-CG2 3.89Å; Y866-I876 PolarHBondContact N-O 2.89Å; Y866-I876 PolarHBondContact O-N 3.2Å; Y874-I876 HydrophobicContact CD1-CD1 4.4Å; Y874-I876 HydrophobicContact CD1-CG1 4.09Å; Y874-I876 HydrophobicContact CE1-CD1 3.78Å; Y874-I876 HydrophobicContact CE1-CG1 3.65Å; I876-C880 HydrophobicContact CG2-CB 3.58Å; I876-F881 HydrophobicContact CG2-CB 3.95Å; I876-M892 HydrophobicContact CD1-CE 3.53Å; I876-M892 HydrophobicContact CD1-SD 4.33Å; I876-M896 HydrophobicContact CD1-CE 3.51Å; I876-M896 HydrophobicContact CG1-CE 4Å
877	C	92.9	Very high	85.8	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.02	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	160.5	174.1	71.6	0	0	0	0	111.5	C853 C856 I861 S879 C880 F881	C853-C877 HydrophobicContact CB-CB 4.06Å; C853-C877 PolarHBondContact SG-N 3.25Å; C853-C877 VanDerWaalsContact SG-N 3.38Å; C856-C877 PolarHBondContact SG-SG 3Å; I861-C877 HydrophobicContact CD1-CB 4.37Å; I861-C877 HydrophobicContact CG1-CB 4.04Å; I861-C877 HydrophobicContact CG2-CB 3.89Å; C877-S879 VanDerWaalsContact C-N 3.33Å; C877-S879 PolarHBondContact O-N 3.45Å; C877-C880 PolarHBondContact O-N 3Å; C877-C880 VanDerWaalsContact O-N 3.12Å; C877-C880 VanDerWaalsContact SG-SG 3.63Å; C877-F881 PolarHBondContact O-N 3.31Å
878	Q	91.6	Very high	85.2	Confident	48 Å²	48	49 Å²	49	22%	0.224	25%	0.249	C	C	.	.	H	α-helix	trans	-42.2	-54.4	174.5	-175	178.9	-60.9	0	0	113.6	F864 C880 F881 F882	F864-Q878 HydrophobicContact CB-CB 4.11Å; F864-Q878 HydrophobicContact CB-CG 4.37Å; F864-Q878 HydrophobicContact CD2-CG 4.13Å; F864-Q878 PolarHBondContact O-N 3.49Å; Q878-C880 PolarHBondContact O-N 2.99Å; Q878-F881 PolarHBondContact O-N 3.44Å; Q878-F882 HydrophobicContact CG-CD2 3.61Å; Q878-F882 HydrophobicContact CG-CE2 3.23Å; Q878-F882 HydrophobicContact CG-CG 4.39Å; Q878-F882 HydrophobicContact CG-CZ 3.74Å; Q878-F882 WeakPolarHBondContact O-CB 3.46Å; Q878-F882 WeakPolarHBondContact O-CG 3.49Å; Q878-F882 PolarHBondContact O-N 3.47Å
879	S	90.1	Very high	84.5	Confident	60 Å²	60	51.9 Å²	51.9	42%	0.42	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-42.6	-177.5	176.3	0	0	0	0	112.5	C877 S883 R885	C877-S879 VanDerWaalsContact C-N 3.33Å; C877-S879 PolarHBondContact O-N 3.45Å; S879-S883 WeakPolarHBondContact O-CB 3.38Å; S879-S883 PolarHBondContact O-N 3.36Å; S879-S883 PolarHBondContact O-OG 2.97Å; S879-S883 VanDerWaalsContact O-OG 3.06Å; S879-R885 PolarHBondContact OG-NH2 3.49Å
880	C	90	Very high	84.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-38.1	178.9	-72.9	0	0	0	0	112.2	I855 C856 I876 C877 Q878 G884 R885	I855-C880 HydrophobicContact CB-CB 4.12Å; I855-C880 HydrophobicContact CD1-CB 3.95Å; I855-C880 HydrophobicContact CG2-CB 4.22Å; C856-C880 VanDerWaalsContact SG-SG 3.65Å; I876-C880 HydrophobicContact CG2-CB 3.58Å; C877-C880 PolarHBondContact O-N 3Å; C877-C880 VanDerWaalsContact O-N 3.12Å; C877-C880 VanDerWaalsContact SG-SG 3.63Å; Q878-C880 PolarHBondContact O-N 2.99Å; C880-G884 PolarHBondContact O-N 3.34Å; C880-R885 HydrophobicContact CB-CB 4.47Å; C880-R885 PolarHBondContact O-N 2.98Å
881	F	88.3	Confident	84.4	Confident	5 Å²	5	53 Å²	53	2%	0.022	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-50.6	178.4	-172.9	-104.6	0	0	0	111.3	F643 Y866 I876 C877 Q878 S883 G884 M892 Y934	F643-F881 HydrophobicContact CD2-CD1 4.21Å; F643-F881 AromaticContact CD2-CE1 3.91Å; F643-F881 HydrophobicContact CD2-CE1 3.91Å; F643-F881 AromaticContact CE2-CD1 3.77Å; F643-F881 HydrophobicContact CE2-CD1 3.77Å; F643-F881 AromaticContact CE2-CE1 3.5Å; F643-F881 HydrophobicContact CE2-CE1 3.5Å; F643-F881 VanDerWaalsContact CE2-CE1 3.5Å; F643-F881 HydrophobicContact CE2-CE2 4.42Å; F643-F881 HydrophobicContact CE2-CG 4.35Å; F643-F881 AromaticContact CE2-CZ 3.86Å; F643-F881 HydrophobicContact CE2-CZ 3.86Å; F643-F881 WeakPolarHBondContact CE2-O 3.37Å; F643-F881 HydrophobicContact CZ-CE1 4.08Å; F643-F881 HydrophobicContact CZ-CE2 4.46Å; F643-F881 AromaticContact CZ-CZ 3.97Å; F643-F881 HydrophobicContact CZ-CZ 3.97Å; Y866-F881 AromaticContact CD1-CD1 4Å; Y866-F881 HydrophobicContact CD1-CD1 4Å; Y866-F881 HydrophobicContact CD1-CD2 4.12Å; Y866-F881 AromaticContact CD1-CE1 3.95Å; Y866-F881 HydrophobicContact CD1-CE1 3.95Å; Y866-F881 HydrophobicContact CD1-CE2 4.07Å; Y866-F881 HydrophobicContact CD1-CG 4.09Å; Y866-F881 AromaticContact CD1-CZ 3.99Å; Y866-F881 HydrophobicContact CD1-CZ 3.99Å; Y866-F881 HydrophobicContact CD2-CB 3.39Å; Y866-F881 AromaticContact CD2-CD1 3.73Å; Y866-F881 HydrophobicContact CD2-CD1 3.73Å; Y866-F881 AromaticContact CD2-CD2 3.98Å; Y866-F881 HydrophobicContact CD2-CD2 3.98Å; Y866-F881 AromaticContact CD2-CG 3.43Å; Y866-F881 HydrophobicContact CD2-CG 3.43Å; Y866-F881 VanDerWaalsContact CD2-CG 3.43Å; Y866-F881 AromaticContact CE1-CD1 3.62Å; Y866-F881 HydrophobicContact CE1-CD1 3.62Å; Y866-F881 AromaticContact CE1-CE1 3.5Å; Y866-F881 HydrophobicContact CE1-CE1 3.5Å; Y866-F881 VanDerWaalsContact CE1-CE1 3.5Å; Y866-F881 HydrophobicContact CE1-CE2 4.45Å; Y866-F881 HydrophobicContact CE1-CG 4.17Å; Y866-F881 AromaticContact CE1-CZ 3.95Å; Y866-F881 HydrophobicContact CE1-CZ 3.95Å; Y866-F881 HydrophobicContact CE2-CB 3.55Å; Y866-F881 AromaticContact CE2-CD1 3.3Å; Y866-F881 HydrophobicContact CE2-CD1 3.3Å; Y866-F881 HydrophobicContact CE2-CD2 4.41Å; Y866-F881 HydrophobicContact CE2-CE1 4.09Å; Y866-F881 AromaticContact CE2-CG 3.51Å; Y866-F881 HydrophobicContact CE2-CG 3.51Å; Y866-F881 HydrophobicContact CG-CB 4.14Å; Y866-F881 HydrophobicContact CG-CD1 4.05Å; Y866-F881 AromaticContact CG-CD2 3.83Å; Y866-F881 HydrophobicContact CG-CD2 3.83Å; Y866-F881 HydrophobicContact CG-CE1 4.44Å; Y866-F881 HydrophobicContact CG-CE2 4.23Å; Y866-F881 AromaticContact CG-CG 3.74Å; Y866-F881 HydrophobicContact CG-CG 3.74Å; Y866-F881 AromaticContact CZ-CD1 3.27Å; Y866-F881 AromaticContact CZ-CE1 3.6Å; Y866-F881 AromaticContact CZ-CG 3.91Å; I876-F881 HydrophobicContact CG2-CB 3.95Å; C877-F881 PolarHBondContact O-N 3.31Å; Q878-F881 PolarHBondContact O-N 3.44Å; F881-S883 VanDerWaalsContact C-N 3.35Å; F881-S883 PolarHBondContact O-N 2.98Å; F881-G884 WeakPolarHBondContact O-CA 3.46Å; F881-G884 PolarHBondContact O-N 3.47Å; F881-M892 HydrophobicContact CD2-SD 4.09Å; F881-M892 HydrophobicContact CE2-SD 4.22Å; F881-Y934 HydrophobicContact CZ-CE2 4.45Å
882	F	88.9	Confident	84	Confident	9 Å²	9	52 Å²	52	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-33.8	-177.7	-69.4	-8.4	0	0	0	114.1	V641 R642 F643 Y646 M650 F864 Y866 Q878 G884	V641-F882 HydrophobicContact CG1-CB 4.08Å; V641-F882 HydrophobicContact CG1-CD2 4.25Å; V641-F882 HydrophobicContact CG1-CG 4.04Å; V641-F882 HydrophobicContact CG2-CB 4.48Å; V641-F882 HydrophobicContact CG2-CD2 4.4Å; R642-F882 VanDerWaalsContact CB-O 3.26Å; R642-F882 WeakPolarHBondContact CB-O 3.45Å; R642-F882 PolarHBondContact N-O 3.08Å; F643-F882 HydrophobicContact CD2-CD1 4.31Å; Y646-F882 AromaticContact CD1-CE1 3.53Å; Y646-F882 HydrophobicContact CD1-CE1 3.53Å; Y646-F882 AromaticContact CD1-CZ 3.4Å; Y646-F882 HydrophobicContact CD1-CZ 3.4Å; Y646-F882 AromaticContact CD2-CE1 3.92Å; Y646-F882 HydrophobicContact CD2-CE1 3.92Å; Y646-F882 HydrophobicContact CE1-CE1 4.04Å; Y646-F882 HydrophobicContact CE1-CZ 4.09Å; Y646-F882 HydrophobicContact CE2-CE1 4.4Å; Y646-F882 HydrophobicContact CG-CD1 4.34Å; Y646-F882 AromaticContact CG-CE1 3.47Å; Y646-F882 HydrophobicContact CG-CE1 3.47Å; Y646-F882 VanDerWaalsContact CG-CE1 3.47Å; Y646-F882 AromaticContact CG-CZ 3.68Å; Y646-F882 HydrophobicContact CG-CZ 3.68Å; M650-F882 HydrophobicContact CE-CD2 4.14Å; M650-F882 HydrophobicContact CE-CE2 3.6Å; M650-F882 HydrophobicContact SD-CD2 3.91Å; M650-F882 HydrophobicContact SD-CE2 3.55Å; M650-F882 VanDerWaalsContact SD-CE2 3.55Å; F864-F882 AromaticContact CD2-CZ 3.93Å; F864-F882 HydrophobicContact CD2-CZ 3.93Å; F864-F882 HydrophobicContact CE2-CZ 4.2Å; Y866-F882 HydrophobicContact CE2-CE1 4.35Å; Y866-F882 VanDerWaalsContact OH-CE1 3.3Å; Y866-F882 WeakPolarHBondContact OH-CE1 3.16Å; Q878-F882 HydrophobicContact CG-CD2 3.61Å; Q878-F882 HydrophobicContact CG-CE2 3.23Å; Q878-F882 HydrophobicContact CG-CG 4.39Å; Q878-F882 HydrophobicContact CG-CZ 3.74Å; Q878-F882 WeakPolarHBondContact O-CB 3.46Å; Q878-F882 WeakPolarHBondContact O-CG 3.49Å; Q878-F882 PolarHBondContact O-N 3.47Å; F882-G884 PolarHBondContact O-N 3.46Å
883	S	84.6	Confident	83.5	Confident	68 Å²	68	52.4 Å²	52.4	48%	0.476	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.6	172.4	-52.4	0	0	0	0	113.4	S879 F881 R885	S879-S883 WeakPolarHBondContact O-CB 3.38Å; S879-S883 PolarHBondContact O-N 3.36Å; S879-S883 PolarHBondContact O-OG 2.97Å; S879-S883 VanDerWaalsContact O-OG 3.06Å; F881-S883 VanDerWaalsContact C-N 3.35Å; F881-S883 PolarHBondContact O-N 2.98Å; S883-R885 VanDerWaalsContact C-N 3.29Å; S883-R885 PolarHBondContact O-N 3.15Å
884	G	82.6	Confident	83.3	Confident	14 Å²	14	50.5 Å²	50.5	14%	0.144	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	22.6	-179.5	0	0	0	0	0	114.9	C880 F881 F882	C880-G884 PolarHBondContact O-N 3.34Å; F881-G884 WeakPolarHBondContact O-CA 3.46Å; F881-G884 PolarHBondContact O-N 3.47Å; F882-G884 PolarHBondContact O-N 3.46Å
885	R	85	Confident	82.6	Confident	108 Å²	108	51.8 Å²	51.8	41%	0.408	28%	0.281	S	S	.	.			trans	-67.5	141.2	178.6	-68.7	-174.6	-82.8	-176.7	-3	109.9	I855 S879 C880 S883	I855-R885 HydrophobicContact CD1-CB 4.37Å; I855-R885 WeakPolarHBondContact CD1-O 3.49Å; I855-R885 HydrophobicContact CG2-CB 3.99Å; S879-R885 PolarHBondContact OG-NH2 3.49Å; C880-R885 HydrophobicContact CB-CB 4.47Å; C880-R885 PolarHBondContact O-N 2.98Å; S883-R885 VanDerWaalsContact C-N 3.29Å; S883-R885 PolarHBondContact O-N 3.15Å
886	V	80.6	Confident	82.1	Confident	81 Å²	81	52 Å²	52	49%	0.491	28%	0.281	S	S	.	.			trans	-130.2	143.6	178.4	-60.1	0	0	0	0	110.9	M892	V886-M892 HydrophobicContact CB-CE 4.49Å; V886-M892 HydrophobicContact CG1-CE 3.62Å; V886-M892 HydrophobicContact CG1-CG 3.71Å; V886-M892 HydrophobicContact CG1-SD 4.39Å
887	A	81.6	Confident	81.7	Confident	31 Å²	31	53.3 Å²	53.3	26%	0.256	29%	0.289	S	S	.	.			trans	-91.4	156.6	168.2	0	0	0	0	0	110.7	I855 Y874 G889 H890	I855-A887 HydrophobicContact CG1-CB 4.24Å; Y874-A887 HydrophobicContact CE2-CB 4.39Å; Y874-A887 WeakPolarHBondContact OH-CB 3.48Å; Y874-A887 PolarHBondContact OH-N 3.4Å; A887-G889 PolarHBondContact O-N 3.21Å; A887-G889 VanDerWaalsContact O-N 3.15Å; A887-H890 PolarHBondContact O-N 2.92Å
888	K	73.6	Confident	81.5	Confident	224 Å²	224	54.5 Å²	54.5	97%	0.974	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	119.3	-177	-158.7	173.2	-175.9	176.8	0	111
889	G	71.9	Confident	81.4	Confident	61 Å²	61	53 Å²	53	63%	0.629	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	-11.2	178.5	0	0	0	0	0	116.3	H871 A887	H871-G889 PolarHBondContact CE1-O 3.14Å; A887-G889 PolarHBondContact O-N 3.21Å; A887-G889 VanDerWaalsContact O-N 3.15Å
890	H	80	Confident	81.3	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.032	28%	0.275	C	S	.	.			trans	-102.3	139	175.8	-174.3	72.8	0	0	0	111.9	S868 H871 Y874 A887 M892 Y894	S868-H890 PolarHBondContact OG-CE1 3Å; H871-H890 AromaticContact CE1-ND1 3.57Å; H871-H890 AromaticContact ND1-CG 3.8Å; H871-H890 AromaticContact ND1-ND1 3.13Å; H871-H890 PolarHBondContact ND1-ND1 2.77Å; H871-H890 VanDerWaalsContact ND1-ND1 3.13Å; Y874-H890 HydrophobicContact CE1-CB 4.11Å; Y874-H890 AromaticContact CE1-CD2 3.42Å; Y874-H890 VanDerWaalsContact CE1-CD2 3.42Å; Y874-H890 WeakPolarHBondContact CE1-CD2 3.21Å; Y874-H890 AromaticContact CE1-CG 3.57Å; Y874-H890 AromaticContact CE1-ND1 3.96Å; Y874-H890 AromaticContact CE1-NE2 3.77Å; Y874-H890 HydrophobicContact CE2-CB 3.98Å; Y874-H890 AromaticContact CZ-CD2 3.78Å; Y874-H890 AromaticContact CZ-CG 3.63Å; A887-H890 PolarHBondContact O-N 2.92Å; H890-M892 WeakPolarHBondContact CD2-CE 3.42Å; H890-M892 WeakPolarHBondContact NE2-CE 3.34Å; H890-Y894 AromaticContact CE1-CD2 3.78Å; H890-Y894 AromaticContact ND1-CD2 3.5Å
891	K	78.3	Confident	81.1	Confident	117 Å²	117	54.8 Å²	54.8	51%	0.509	30%	0.296	S	S	.	.			trans	-118	136.9	177.9	-58.4	-168	179.7	-169.9	0	109.6	H893 Y894	K891-H893 WeakPolarHBondContact CD-CE1 3.5Å; K891-H893 PolarHBondContact O-N 2.85Å; K891-H893 VanDerWaalsContact O-N 3.17Å; K891-Y894 HydrophobicContact CB-CD1 4.23Å; K891-Y894 HydrophobicContact CB-CD2 4.36Å; K891-Y894 HydrophobicContact CB-CE1 3.96Å; K891-Y894 HydrophobicContact CB-CE2 4.11Å; K891-Y894 HydrophobicContact CB-CG 4.43Å; K891-Y894 HydrophobicContact CD-CE1 4.4Å; K891-Y894 HydrophobicContact CG-CE1 4.3Å; K891-Y894 HydrophobicContact CG-CE2 4.37Å; K891-Y894 WeakPolarHBondContact O-CB 3.17Å; K891-Y894 WeakPolarHBondContact O-CD2 3.36Å; K891-Y894 VanDerWaalsContact O-CG 3.28Å; K891-Y894 PolarHBondContact O-N 3.12Å
892	M	72.4	Confident	81	Confident	33 Å²	33	58.4 Å²	58.4	16%	0.163	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.3	-177.1	-79.6	-54.1	100	0	0	114.9	I876 F881 V886 H890 Y894	I876-M892 HydrophobicContact CD1-CE 3.53Å; I876-M892 HydrophobicContact CD1-SD 4.33Å; F881-M892 HydrophobicContact CD2-SD 4.09Å; F881-M892 HydrophobicContact CE2-SD 4.22Å; V886-M892 HydrophobicContact CB-CE 4.49Å; V886-M892 HydrophobicContact CG1-CE 3.62Å; V886-M892 HydrophobicContact CG1-CG 3.71Å; V886-M892 HydrophobicContact CG1-SD 4.39Å; H890-M892 WeakPolarHBondContact CD2-CE 3.42Å; H890-M892 WeakPolarHBondContact NE2-CE 3.34Å; M892-Y894 PolarHBondContact O-N 3.03Å
893	H	69.7	Low	80.6	Confident	124 Å²	124	59.3 Å²	59.3	57%	0.574	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.6	176.5	66	-105.4	0	0	0	113.8	K891	K891-H893 WeakPolarHBondContact CD-CE1 3.5Å; K891-H893 PolarHBondContact O-N 2.85Å; K891-H893 VanDerWaalsContact O-N 3.17Å
894	Y	77.1	Confident	80.3	Confident	37 Å²	37	59.7 Å²	59.7	15%	0.145	33%	0.326	C	S	.	.	S	Bend	trans	-65.9	145.8	173.1	-67.3	-17.3	0	0	0	109.9	K870 H871 H890 K891 M892 M896	K870-Y894 HydrophobicContact CB-CD2 4.36Å; K870-Y894 HydrophobicContact CB-CG 4.39Å; K870-Y894 HydrophobicContact CD-CD1 3.72Å; K870-Y894 HydrophobicContact CD-CD2 3.64Å; K870-Y894 HydrophobicContact CD-CE1 3.79Å; K870-Y894 HydrophobicContact CD-CE2 3.72Å; K870-Y894 HydrophobicContact CD-CG 3.64Å; K870-Y894 HydrophobicContact CG-CD2 4.46Å; K870-Y894 PolarHBondContact NZ-OH 2.9Å; K870-Y894 VanDerWaalsContact NZ-OH 3.09Å; H871-Y894 AromaticContact CE1-CE2 3.69Å; H871-Y894 AromaticContact NE2-CE2 3.76Å; H890-Y894 AromaticContact CE1-CD2 3.78Å; H890-Y894 AromaticContact ND1-CD2 3.5Å; K891-Y894 HydrophobicContact CB-CD1 4.23Å; K891-Y894 HydrophobicContact CB-CD2 4.36Å; K891-Y894 HydrophobicContact CB-CE1 3.96Å; K891-Y894 HydrophobicContact CB-CE2 4.11Å; K891-Y894 HydrophobicContact CB-CG 4.43Å; K891-Y894 HydrophobicContact CD-CE1 4.4Å; K891-Y894 HydrophobicContact CG-CE1 4.3Å; K891-Y894 HydrophobicContact CG-CE2 4.37Å; K891-Y894 WeakPolarHBondContact O-CB 3.17Å; K891-Y894 WeakPolarHBondContact O-CD2 3.36Å; K891-Y894 VanDerWaalsContact O-CG 3.28Å; K891-Y894 PolarHBondContact O-N 3.12Å; M892-Y894 PolarHBondContact O-N 3.03Å; Y894-M896 WeakPolarHBondContact O-CG 3.49Å; Y894-M896 PolarHBondContact O-N 3.35Å
895	P	72.4	Confident	79.7	Confident	48 Å²	48	64 Å²	64	31%	0.312	35%	0.354	S	S	.	.			trans	-59.4	127.8	178.7	-21	31.6	0	0	0	110.3	L869 F926	L869-P895 HydrophobicContact CB-CB 4.2Å; L869-P895 WeakPolarHBondContact CB-O 3.42Å; L869-P895 HydrophobicContact CD1-CB 4.29Å; L869-P895 PolarHBondContact N-O 2.86Å; P895-F926 HydrophobicContact CG-CD1 3.68Å; P895-F926 HydrophobicContact CG-CE1 3.88Å
896	M	81.3	Confident	79.1	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.074	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148.3	178.9	-58.1	-67.6	-75.8	0	0	109.3	R867 S868 I876 Y894	R867-M896 CarbonylContact O-C 3.52Å; R867-M896 VanDerWaalsContact O-CA 3.3Å; R867-M896 WeakPolarHBondContact O-CA 3.42Å; S868-M896 WeakPolarHBondContact CA-SD 3.46Å; I876-M896 HydrophobicContact CD1-CE 3.51Å; I876-M896 HydrophobicContact CG1-CE 4Å; Y894-M896 WeakPolarHBondContact O-CG 3.49Å; Y894-M896 PolarHBondContact O-N 3.35Å
897	V	83.7	Confident	79	Confident	27 Å²	27	58.7 Å²	58.7	16%	0.164	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132	164	175.6	0	0	0	0	108	Y866 R867 L869 Y899 D911	Y866-V897 CarbonylContact C-O 3.58Å; Y866-V897 WeakPolarHBondContact CA-O 3.28Å; R867-V897 PolarHBondContact N-O 3.38Å; R867-V897 PolarHBondContact O-N 2.99Å; L869-V897 HydrophobicContact CD1-CG2 3.63Å; L869-V897 HydrophobicContact CD2-CG2 3.53Å; L869-V897 HydrophobicContact CG-CG2 3.64Å; V897-Y899 HydrophobicContact CB-CE2 4.26Å; V897-Y899 HydrophobicContact CG1-CD1 4.45Å; V897-Y899 HydrophobicContact CG1-CD2 4.18Å; V897-Y899 HydrophobicContact CG1-CE1 4.03Å; V897-Y899 HydrophobicContact CG1-CE2 3.71Å; V897-D911 WeakPolarHBondContact CG2-OD2 3.11Å
898	E	88.4	Confident	78.5	Confident	27 Å²	27	59.5 Å²	59.5	13%	0.126	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134	171.5	172.1	170.5	82.7	0	0	109.8	Y646 R840 F864 Y866	Y646-E898 VanDerWaalsContact CE1-OE2 3.28Å; Y646-E898 WeakPolarHBondContact CE1-OE2 3.37Å; Y646-E898 PolarHBondContact OH-OE1 3.23Å; Y646-E898 PolarHBondContact OH-OE2 3.5Å; R840-E898 WeakPolarHBondContact CD-OE1 3.45Å; R840-E898 IonicContact CZ-OE1 3.36Å; R840-E898 IonicContact NE-OE1 3.99Å; R840-E898 PolarHBondContact NE-OE1 3.24Å; F864-E898 HydrophobicContact CD1-CG 3.72Å; F864-E898 VanDerWaalsContact CD1-OE2 3.27Å; F864-E898 WeakPolarHBondContact CD1-OE2 3.48Å; F864-E898 VanDerWaalsContact CE1-CD 3.42Å; F864-E898 HydrophobicContact CE1-CG 4.04Å; F864-E898 VanDerWaalsContact CE1-OE2 3.29Å; F864-E898 WeakPolarHBondContact CE1-OE2 3.45Å; Y866-E898 HydrophobicContact CD1-CB 4.13Å; Y866-E898 HydrophobicContact CD1-CG 4.43Å; Y866-E898 HydrophobicContact CE1-CB 3.93Å; Y866-E898 HydrophobicContact CE1-CG 3.88Å; Y866-E898 WeakPolarHBondContact CE1-OE2 3.43Å; Y866-E898 VanDerWaalsContact CZ-OE2 3.32Å; Y866-E898 PolarHBondContact OH-OE2 3.35Å
899	Y	88	Confident	78.5	Confident	17 Å²	17	53.4 Å²	53.4	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.9	167.7	-61.2	-78.7	0	0	0	109.5	F864 R865 R867 V897 T903 E907 D911	F864-Y899 WeakPolarHBondContact CA-O 3.33Å; R865-Y899 HydrophobicContact CG-CD2 4.3Å; R865-Y899 PolarHBondContact N-O 3.08Å; R865-Y899 PolarHBondContact O-N 3.39Å; R867-Y899 HydrophobicContact CB-CD2 4.41Å; R867-Y899 HydrophobicContact CB-CE2 3.89Å; V897-Y899 HydrophobicContact CB-CE2 4.26Å; V897-Y899 HydrophobicContact CG1-CD1 4.45Å; V897-Y899 HydrophobicContact CG1-CD2 4.18Å; V897-Y899 HydrophobicContact CG1-CE1 4.03Å; V897-Y899 HydrophobicContact CG1-CE2 3.71Å; Y899-T903 HydrophobicContact CD1-CG2 3.34Å; Y899-T903 HydrophobicContact CD2-CG2 3.74Å; Y899-T903 HydrophobicContact CE1-CG2 3.68Å; Y899-T903 HydrophobicContact CE2-CG2 4.04Å; Y899-T903 HydrophobicContact CG-CG2 3.34Å; Y899-E907 HydrophobicContact CE1-CB 4.25Å; Y899-D911 PolarHBondContact OH-OD2 3.08Å
900	C	88	Confident	78.6	Confident	25 Å²	25	57.4 Å²	57.4	17%	0.169	32%	0.315	C	S	.	.			trans	-113.8	-0.7	175	56.5	0	0	0	0	112.8	R840 A843 A844 A847 F864	R840-C900 HydrophobicContact CB-CB 4.25Å; A843-C900 CarbonylContact C-O 3.48Å; A843-C900 VanDerWaalsContact C-O 3.24Å; A844-C900 VanDerWaalsContact CA-O 3.29Å; A844-C900 WeakPolarHBondContact CA-O 3.49Å; A844-C900 HydrophobicContact CB-CB 4.07Å; A844-C900 PolarHBondContact N-O 3.3Å; A847-C900 WeakPolarHBondContact CB-O 3.44Å; F864-C900 HydrophobicContact CD1-CB 3.86Å; F864-C900 HydrophobicContact CE1-CB 3.57Å; F864-C900 HydrophobicContact CZ-CB 4.44Å
901	T	87.6	Confident	78	Confident	72 Å²	72	57.3 Å²	57.3	44%	0.442	31%	0.314	S	S	.	.	S	Bend	trans	-127.7	155.1	175	53.9	0	0	0	0	109.4	A843 H849 T903	A843-T901 HydrophobicContact CB-CG2 4.46Å; H849-T901 PolarHBondContact CE1-O 3.28Å; T901-T903 PolarHBondContact O-N 2.66Å; T901-T903 VanDerWaalsContact O-N 3.15Å
902	P	84.9	Confident	77.5	Confident	81 Å²	81	56.1 Å²	56.1	53%	0.526	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-52.7	122.2	-179.3	-27.1	35.1	0	0	0	112.4
903	T	81	Confident	77.4	Confident	28 Å²	28	57.2 Å²	57.2	17%	0.172	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-71.5	132.8	-177	41.8	0	0	0	0	111.8	H849 R865 Y899 T901 E907	H849-T903 PolarHBondContact ND1-OG1 3.04Å; R865-T903 PolarHBondContact NH1-OG1 3.46Å; Y899-T903 HydrophobicContact CD1-CG2 3.34Å; Y899-T903 HydrophobicContact CD2-CG2 3.74Å; Y899-T903 HydrophobicContact CE1-CG2 3.68Å; Y899-T903 HydrophobicContact CE2-CG2 4.04Å; Y899-T903 HydrophobicContact CG-CG2 3.34Å; T901-T903 PolarHBondContact O-N 2.66Å; T901-T903 VanDerWaalsContact O-N 3.15Å; T903-E907 WeakPolarHBondContact CA-OE2 3.5Å
904	T	77.2	Confident	77.4	Confident	77 Å²	77	55.9 Å²	55.9	47%	0.472	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-89.9	155.1	174.2	60.8	0	0	0	0	111.8	G906 E907 D908	T904-G906 PolarHBondContact O-N 2.84Å; T904-E907 PolarHBondContact N-OE2 3.09Å; T904-E907 WeakPolarHBondContact O-CB 3.46Å; T904-E907 PolarHBondContact O-N 2.95Å; T904-E907 VanDerWaalsContact OG1-CD 3.3Å; T904-E907 WeakPolarHBondContact OG1-CG 3.47Å; T904-E907 PolarHBondContact OG1-OE2 2.81Å; T904-D908 PolarHBondContact O-N 2.88Å
905	S	71.3	Confident	77	Confident	104 Å²	104	54.3 Å²	54.3	73%	0.727	31%	0.31	S	S	*	.	H	α-helix	trans	-58.1	-31.3	178.6	54.4	0	0	0	0	113.3	E907 V909	S905-E907 PolarHBondContact O-N 3.3Å; S905-V909 WeakPolarHBondContact O-CG2 3.5Å; S905-V909 PolarHBondContact O-N 3.11Å
906	G	72.3	Confident	76.9	Confident	33 Å²	33	55.7 Å²	55.7	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-67.9	-29.4	175.4	0	0	0	0	0	114.2	T904 R910	T904-G906 PolarHBondContact O-N 2.84Å; G906-R910 WeakPolarHBondContact O-CG 3.28Å; G906-R910 PolarHBondContact O-N 2.73Å; G906-R910 VanDerWaalsContact O-N 3.14Å
907	E	77.6	Confident	76.3	Confident	45 Å²	45	61.2 Å²	61.2	21%	0.21	34%	0.338	C	S	.	.	H	α-helix	trans	-72.5	-41.9	176.2	-75.8	163.1	152.2	0	0	112.1	Y899 T903 T904 S905 V909 R910 D911	Y899-E907 HydrophobicContact CE1-CB 4.25Å; T903-E907 WeakPolarHBondContact CA-OE2 3.5Å; T904-E907 PolarHBondContact N-OE2 3.09Å; T904-E907 WeakPolarHBondContact O-CB 3.46Å; T904-E907 PolarHBondContact O-N 2.95Å; T904-E907 VanDerWaalsContact OG1-CD 3.3Å; T904-E907 WeakPolarHBondContact OG1-CG 3.47Å; T904-E907 PolarHBondContact OG1-OE2 2.81Å; S905-E907 PolarHBondContact O-N 3.3Å; E907-V909 PolarHBondContact O-N 3.41Å; E907-R910 PolarHBondContact O-N 3.15Å; E907-R910 IonicContact OE1-NH2 4Å; E907-D911 PolarHBondContact O-N 3.41Å
908	D	71.1	Confident	75.5	Confident	47 Å²	47	60.9 Å²	60.9	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-34.3	175.4	-76.1	-38.7	0	0	0	111.5	R865 R867 T904 F912	R865-D908 IonicContact CZ-OD1 3.37Å; R865-D908 IonicContact NH1-OD1 2.67Å; R865-D908 PolarHBondContact NH1-OD1 3.45Å; R865-D908 IonicContact NH1-OD2 3.76Å; R865-D908 IonicContact NH2-OD1 3.81Å; R865-D908 PolarHBondContact NH2-OD1 2.82Å; R867-D908 IonicContact CZ-OD1 3.54Å; R867-D908 IonicContact NH1-OD1 3.87Å; R867-D908 PolarHBondContact NH1-OD1 3.1Å; T904-D908 PolarHBondContact O-N 2.88Å; D908-F912 WeakPolarHBondContact O-CB 3.13Å; D908-F912 PolarHBondContact O-N 3.19Å
909	V	73.4	Confident	74.3	Confident	97 Å²	97	66.4 Å²	66.4	59%	0.588	36%	0.359	S	S	*	.	H	α-helix	trans	-71	-41	174.8	176	0	0	0	0	112.2	S905 E907 D911 F912 A913	S905-V909 WeakPolarHBondContact O-CG2 3.5Å; S905-V909 PolarHBondContact O-N 3.11Å; E907-V909 PolarHBondContact O-N 3.41Å; V909-D911 VanDerWaalsContact C-N 3.33Å; V909-D911 PolarHBondContact O-N 3.48Å; V909-F912 WeakPolarHBondContact O-CB 3.43Å; V909-F912 PolarHBondContact O-N 3.31Å; V909-A913 PolarHBondContact O-N 2.99Å
910	R	75.5	Confident	73	Confident	145 Å²	145	74 Å²	74	55%	0.547	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-42	175.5	-74.8	-168.5	-65.7	-107.1	11.5	111.5	G906 E907 A913 K914	G906-R910 WeakPolarHBondContact O-CG 3.28Å; G906-R910 PolarHBondContact O-N 2.73Å; G906-R910 VanDerWaalsContact O-N 3.14Å; E907-R910 PolarHBondContact O-N 3.15Å; E907-R910 IonicContact OE1-NH2 4Å; R910-A913 PolarHBondContact O-N 2.86Å; R910-K914 WeakPolarHBondContact O-CG 3.08Å; R910-K914 PolarHBondContact O-N 3.38Å
911	D	67.6	Low	72	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.027	40%	0.399	C	S	.	.	H	α-helix	trans	-71.3	-34.4	178.7	-87.2	16.7	0	0	0	112.3	L869 V897 Y899 E907 V909 A913 K914 V915	L869-D911 HydrophobicContact CD2-CB 4.4Å; V897-D911 WeakPolarHBondContact CG2-OD2 3.11Å; Y899-D911 PolarHBondContact OH-OD2 3.08Å; E907-D911 PolarHBondContact O-N 3.41Å; V909-D911 VanDerWaalsContact C-N 3.33Å; V909-D911 PolarHBondContact O-N 3.48Å; D911-A913 PolarHBondContact O-N 3.29Å; D911-K914 PolarHBondContact O-N 3.39Å; D911-K914 IonicContact OD1-NZ 3.1Å; D911-K914 PolarHBondContact OD1-NZ 3.25Å; D911-V915 VanDerWaalsContact O-CG2 3.25Å; D911-V915 WeakPolarHBondContact O-CG2 3.42Å; D911-V915 PolarHBondContact O-N 3.16Å
912	F	66.9	Low	70.7	Confident	92 Å²	92	78 Å²	78	40%	0.404	41%	0.408	S	S	.	.	H	α-helix	trans	-56.9	-47.6	168.1	176	-110.3	0	0	0	112.4	F872 D908 V909 K914 V915 L916	F872-F912 AromaticContact CD2-CD2 3.85Å; F872-F912 HydrophobicContact CD2-CD2 3.85Å; F872-F912 AromaticContact CD2-CE2 3.9Å; F872-F912 HydrophobicContact CD2-CE2 3.9Å; F872-F912 AromaticContact CE2-CD2 3.45Å; F872-F912 HydrophobicContact CE2-CD2 3.45Å; F872-F912 VanDerWaalsContact CE2-CD2 3.45Å; F872-F912 AromaticContact CE2-CE2 3.42Å; F872-F912 HydrophobicContact CE2-CE2 3.42Å; F872-F912 VanDerWaalsContact CE2-CE2 3.42Å; F872-F912 HydrophobicContact CZ-CE2 4.41Å; D908-F912 WeakPolarHBondContact O-CB 3.13Å; D908-F912 PolarHBondContact O-N 3.19Å; V909-F912 WeakPolarHBondContact O-CB 3.43Å; V909-F912 PolarHBondContact O-N 3.31Å; F912-K914 VanDerWaalsContact C-N 3.3Å; F912-K914 PolarHBondContact O-N 2.99Å; F912-V915 PolarHBondContact O-N 3.02Å; F912-L916 HydrophobicContact CD1-CD1 3.83Å; F912-L916 HydrophobicContact CD2-CD1 4.3Å; F912-L916 HydrophobicContact CE1-CD1 3.32Å; F912-L916 HydrophobicContact CE2-CD1 3.86Å; F912-L916 HydrophobicContact CG-CD1 4.31Å; F912-L916 HydrophobicContact CZ-CD1 3.36Å; F912-L916 HydrophobicContact CZ-CG 4.38Å; F912-L916 PolarHBondContact O-N 3.49Å
913	A	70.6	Confident	69.5	Low	55 Å²	55	83.7 Å²	83.7	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-37.9	176.6	0	0	0	0	0	112.2	V909 R910 D911 K917	V909-A913 PolarHBondContact O-N 2.99Å; R910-A913 PolarHBondContact O-N 2.86Å; D911-A913 PolarHBondContact O-N 3.29Å; A913-K917 WeakPolarHBondContact O-CB 3.48Å; A913-K917 PolarHBondContact O-N 3.02Å
914	K	69.8	Low	68.3	Low	96 Å²	96	92.6 Å²	92.6	42%	0.417	45%	0.454	S	S	.	.	H	α-helix	trans	-66.8	-42.6	174.4	-71.3	174.8	-171.3	163	0	112.4	L869 R910 D911 F912 L916 K917 N918	L869-K914 HydrophobicContact CD2-CB 4.16Å; L869-K914 HydrophobicContact CD2-CD 4.31Å; R910-K914 WeakPolarHBondContact O-CG 3.08Å; R910-K914 PolarHBondContact O-N 3.38Å; D911-K914 PolarHBondContact O-N 3.39Å; D911-K914 IonicContact OD1-NZ 3.1Å; D911-K914 PolarHBondContact OD1-NZ 3.25Å; F912-K914 VanDerWaalsContact C-N 3.3Å; F912-K914 PolarHBondContact O-N 2.99Å; K914-L916 VanDerWaalsContact C-N 3.35Å; K914-L916 PolarHBondContact O-N 3.16Å; K914-K917 PolarHBondContact O-N 3.02Å; K914-N918 WeakPolarHBondContact O-CB 3.49Å; K914-N918 PolarHBondContact O-N 2.88Å; K914-N918 PolarHBondContact O-ND2 2.89Å
915	V	68.7	Low	67.5	Low	4 Å²	4	91.9 Å²	91.9	2%	0.024	44%	0.444	C	S	.	.	H	α-helix	trans	-60.9	-44.2	176.8	171.9	0	0	0	0	110.7	L869 D911 F912 N918 K919	L869-V915 HydrophobicContact CD2-CG2 4.49Å; D911-V915 VanDerWaalsContact O-CG2 3.25Å; D911-V915 WeakPolarHBondContact O-CG2 3.42Å; D911-V915 PolarHBondContact O-N 3.16Å; F912-V915 PolarHBondContact O-N 3.02Å; V915-N918 PolarHBondContact O-N 2.7Å; V915-K919 PolarHBondContact O-N 2.72Å
916	L	69.5	Low	66.7	Low	78 Å²	78	90.3 Å²	90.3	41%	0.408	42%	0.424	S	S	.	.	H	α-helix	trans	-59.8	-50.6	173.7	-89.2	155.2	0	0	0	111.6	F912 K914 N918 K919 F920	F912-L916 HydrophobicContact CD1-CD1 3.83Å; F912-L916 HydrophobicContact CD2-CD1 4.3Å; F912-L916 HydrophobicContact CE1-CD1 3.32Å; F912-L916 HydrophobicContact CE2-CD1 3.86Å; F912-L916 HydrophobicContact CG-CD1 4.31Å; F912-L916 HydrophobicContact CZ-CD1 3.36Å; F912-L916 HydrophobicContact CZ-CG 4.38Å; F912-L916 PolarHBondContact O-N 3.49Å; K914-L916 VanDerWaalsContact C-N 3.35Å; K914-L916 PolarHBondContact O-N 3.16Å; L916-N918 VanDerWaalsContact C-N 3.25Å; L916-N918 PolarHBondContact O-N 3.11Å; L916-K919 PolarHBondContact O-N 3.06Å; L916-F920 WeakPolarHBondContact O-CD2 3.2Å
917	K	68.9	Low	65.8	Low	131 Å²	131	92.9 Å²	92.9	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-60.1	-35.8	177.8	-167.4	172	-173.7	174.2	0	112.2	A913 K914 R921	A913-K917 WeakPolarHBondContact O-CB 3.48Å; A913-K917 PolarHBondContact O-N 3.02Å; K914-K917 PolarHBondContact O-N 3.02Å; K917-R921 VanDerWaalsContact O-CD 3.32Å; K917-R921 WeakPolarHBondContact O-CD 3.29Å
918	N	67.1	Low	64.3	Low	19 Å²	19	99.5 Å²	99.5	10%	0.102	47%	0.47	C	S	.	.	H	α-helix	trans	-77.3	-28	-178.5	-75.8	-13.6	0	0	0	114.1	L869 K914 V915 L916 F920 R921 F926	L869-N918 PolarHBondContact O-ND2 3.15Å; K914-N918 WeakPolarHBondContact O-CB 3.49Å; K914-N918 PolarHBondContact O-N 2.88Å; K914-N918 PolarHBondContact O-ND2 2.89Å; V915-N918 PolarHBondContact O-N 2.7Å; L916-N918 VanDerWaalsContact C-N 3.25Å; L916-N918 PolarHBondContact O-N 3.11Å; N918-F920 PolarHBondContact O-N 3.16Å; N918-R921 PolarHBondContact O-N 3.43Å; N918-R921 PolarHBondContact OD1-NH1 2.94Å; N918-R921 VanDerWaalsContact OD1-NH1 3.1Å; N918-F926 HydrophobicContact CB-CE1 4.31Å; N918-F926 HydrophobicContact CB-CZ 3.84Å
919	K	62.8	Low	63.3	Low	143 Å²	143	101.7 Å²	101.7	62%	0.622	48%	0.478	S	S	*	.	H	α-helix	trans	-61.7	-26.4	174.7	-83.8	-171.3	176.4	-168.4	0	113.4	V915 L916	V915-K919 PolarHBondContact O-N 2.72Å; L916-K919 PolarHBondContact O-N 3.06Å
920	F	60.7	Low	61.9	Low	178 Å²	178	103 Å²	103	78%	0.781	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	6.8	180	-62.5	-77.3	0	0	0	114.1	L916 N918	L916-F920 WeakPolarHBondContact O-CD2 3.2Å; N918-F920 PolarHBondContact O-N 3.16Å
921	R	68.6	Low	60.8	Low	79 Å²	79	104.6 Å²	104.6	30%	0.298	50%	0.495	S	S	.	.			trans	-100.6	138.8	-176.7	-77.4	162.5	155.8	-168.5	-9.3	111.9	K917 N918 Y925 F926	K917-R921 VanDerWaalsContact O-CD 3.32Å; K917-R921 WeakPolarHBondContact O-CD 3.29Å; N918-R921 PolarHBondContact O-N 3.43Å; N918-R921 PolarHBondContact OD1-NH1 2.94Å; N918-R921 VanDerWaalsContact OD1-NH1 3.1Å; R921-Y925 HydrophobicContact CB-CD1 3.64Å; R921-Y925 HydrophobicContact CB-CE1 4.34Å; R921-Y925 HydrophobicContact CB-CG 3.83Å; R921-Y925 HydrophobicContact CG-CD1 3.88Å; R921-Y925 HydrophobicContact CG-CD2 4.28Å; R921-Y925 HydrophobicContact CG-CE1 4.18Å; R921-Y925 HydrophobicContact CG-CG 3.98Å; R921-Y925 VanDerWaalsContact CZ-CE1 3.48Å; R921-Y925 VanDerWaalsContact NE-CZ 3.29Å; R921-Y925 VanDerWaalsContact NH1-CE1 3.29Å; R921-Y925 PolarHBondContact NH1-OH 2.95Å; R921-Y925 VanDerWaalsContact NH2-CZ 3.3Å; R921-Y925 PolarHBondContact NH2-OH 3.49Å; R921-F926 HydrophobicContact CB-CE2 3.89Å; R921-F926 HydrophobicContact CB-CZ 4.15Å
922	T	60.3	Low	60	Low	101 Å²	101	108.8 Å²	108.8	62%	0.62	52%	0.516	S	S	*	.			trans	-75	161.1	-175.2	52.2	0	0	0	0	112.9	R924 Y925	T922-R924 PolarHBondContact O-N 2.99Å; T922-R924 VanDerWaalsContact O-N 3.12Å; T922-Y925 VanDerWaalsContact O-CB 3.24Å; T922-Y925 WeakPolarHBondContact O-CB 3.37Å; T922-Y925 PolarHBondContact O-N 2.95Å
923	K	57.8	Low	59.1	Low	201 Å²	201	106.2 Å²	106.2	87%	0.874	51%	0.514	S	S	*	.	H	α-helix	trans	-51.9	-34.1	175.7	-88.7	-177.7	175.6	177.3	0	113.6	Y925 F926 A927	K923-Y925 VanDerWaalsContact C-N 3.34Å; K923-F926 PolarHBondContact O-N 2.84Å; K923-A927 PolarHBondContact O-N 3.46Å
924	R	56.4	Low	58.3	Low	214 Å²	214	104 Å²	104	81%	0.808	49%	0.494	S	S	*	.	H	α-helix	trans	-68.2	-29.1	176.9	-76.9	-179.3	178.8	164.4	-0.7	113.5	T922 A927 K928	T922-R924 PolarHBondContact O-N 2.99Å; T922-R924 VanDerWaalsContact O-N 3.12Å; R924-A927 PolarHBondContact O-N 2.87Å; R924-K928 PolarHBondContact O-N 3.48Å
925	Y	60.8	Low	57.4	Low	63 Å²	63	102 Å²	102	25%	0.247	49%	0.488	C	S	.	.	H	α-helix	trans	-63.7	-44.2	176.5	178.3	-91.6	0	0	0	111.1	R921 T922 K923 A927 K928 H929	R921-Y925 HydrophobicContact CB-CD1 3.64Å; R921-Y925 HydrophobicContact CB-CE1 4.34Å; R921-Y925 HydrophobicContact CB-CG 3.83Å; R921-Y925 HydrophobicContact CG-CD1 3.88Å; R921-Y925 HydrophobicContact CG-CD2 4.28Å; R921-Y925 HydrophobicContact CG-CE1 4.18Å; R921-Y925 HydrophobicContact CG-CG 3.98Å; R921-Y925 VanDerWaalsContact CZ-CE1 3.48Å; R921-Y925 VanDerWaalsContact NE-CZ 3.29Å; R921-Y925 VanDerWaalsContact NH1-CE1 3.29Å; R921-Y925 PolarHBondContact NH1-OH 2.95Å; R921-Y925 VanDerWaalsContact NH2-CZ 3.3Å; R921-Y925 PolarHBondContact NH2-OH 3.49Å; T922-Y925 VanDerWaalsContact O-CB 3.24Å; T922-Y925 WeakPolarHBondContact O-CB 3.37Å; T922-Y925 PolarHBondContact O-N 2.95Å; K923-Y925 VanDerWaalsContact C-N 3.34Å; Y925-A927 VanDerWaalsContact C-N 3.33Å; Y925-A927 PolarHBondContact O-N 2.88Å; Y925-K928 PolarHBondContact O-N 2.89Å; Y925-H929 AromaticContact CD1-CD2 3.89Å; Y925-H929 AromaticContact CD2-NE2 3.7Å; Y925-H929 AromaticContact CE1-CD2 3.36Å; Y925-H929 WeakPolarHBondContact CE1-CD2 3.33Å; Y925-H929 AromaticContact CE1-NE2 3.73Å; Y925-H929 AromaticContact CE2-CD2 3.53Å; Y925-H929 AromaticContact CE2-NE2 2.96Å; Y925-H929 WeakPolarHBondContact CE2-NE2 3.27Å; Y925-H929 AromaticContact CZ-CD2 3.1Å; Y925-H929 AromaticContact CZ-NE2 2.93Å; Y925-H929 PolarHBondContact O-CD2 3.33Å; Y925-H929 PolarHBondContact OH-CD2 3.32Å; Y925-H929 PolarHBondContact OH-NE2 3.37Å
926	F	54.1	Low	56.1	Low	71 Å²	71	106.1 Å²	106.1	31%	0.311	52%	0.515	S	S	.	.	H	α-helix	trans	-75.5	-18	180	-66.1	-75.2	0	0	0	114.2	P895 N918 R921 K923	P895-F926 HydrophobicContact CG-CD1 3.68Å; P895-F926 HydrophobicContact CG-CE1 3.88Å; N918-F926 HydrophobicContact CB-CE1 4.31Å; N918-F926 HydrophobicContact CB-CZ 3.84Å; R921-F926 HydrophobicContact CB-CE2 3.89Å; R921-F926 HydrophobicContact CB-CZ 4.15Å; K923-F926 PolarHBondContact O-N 2.84Å
927	A	54.5	Low	54.7	Low	86 Å²	86	107.7 Å²	107.7	71%	0.711	53%	0.528	S	S	*	.	H	α-helix	trans	-80.3	-19.8	173.8	0	0	0	0	0	113.4	K923 R924 Y925	K923-A927 PolarHBondContact O-N 3.46Å; R924-A927 PolarHBondContact O-N 2.87Å; Y925-A927 VanDerWaalsContact C-N 3.33Å; Y925-A927 PolarHBondContact O-N 2.88Å
928	K	46.2	Very low	52.8	Low	185 Å²	185	108.6 Å²	108.6	80%	0.804	53%	0.534	S	S	*	.	S	Bend	trans	-99.5	-3.8	-177.6	-75.4	-171.1	174.4	-169.7	0	114.7	R924 Y925	R924-K928 PolarHBondContact O-N 3.48Å; Y925-K928 PolarHBondContact O-N 2.89Å
929	H	49.4	Very low	51.2	Low	92 Å²	92	113.6 Å²	113.6	43%	0.426	57%	0.565	S	S	.	*	S	Bend	trans	-103.4	138.7	178.7	-75.2	-52.5	0	0	0	111.8	Y925 R931	Y925-H929 AromaticContact CD1-CD2 3.89Å; Y925-H929 AromaticContact CD2-NE2 3.7Å; Y925-H929 AromaticContact CE1-CD2 3.36Å; Y925-H929 WeakPolarHBondContact CE1-CD2 3.33Å; Y925-H929 AromaticContact CE1-NE2 3.73Å; Y925-H929 AromaticContact CE2-CD2 3.53Å; Y925-H929 AromaticContact CE2-NE2 2.96Å; Y925-H929 WeakPolarHBondContact CE2-NE2 3.27Å; Y925-H929 AromaticContact CZ-CD2 3.1Å; Y925-H929 AromaticContact CZ-NE2 2.93Å; Y925-H929 PolarHBondContact O-CD2 3.33Å; Y925-H929 PolarHBondContact OH-CD2 3.32Å; Y925-H929 PolarHBondContact OH-NE2 3.37Å; H929-R931 PolarHBondContact O-N 3.27Å
930	P	43.5	Very low	49.5	Very low	125 Å²	125	113.3 Å²	113.3	81%	0.812	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-56.9	131.1	-172.5	-20.9	30.8	0	0	0	111.3
931	R	52.9	Low	48.2	Very low	179 Å²	179	112.8 Å²	112.8	68%	0.675	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-69.4	146	166.8	-68.5	-179.4	-179.7	172.1	2.3	108	H929 G933	H929-R931 PolarHBondContact O-N 3.27Å; R931-G933 PolarHBondContact O-N 3.16Å
932	M	51	Low	46.3	Very low	93 Å²	93	118.1 Å²	118.1	46%	0.458	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-57.6	130.5	176.5	-58.8	-72.3	-72.4	0	0	109.6	Y934 L935	M932-Y934 HydrophobicContact CB-CD1 3.93Å; M932-Y934 HydrophobicContact CB-CD2 4.41Å; M932-Y934 HydrophobicContact CB-CE1 3.42Å; M932-Y934 VanDerWaalsContact CB-CE1 3.42Å; M932-Y934 HydrophobicContact CB-CE2 3.9Å; M932-Y934 HydrophobicContact CB-CG 4.42Å; M932-Y934 HydrophobicContact CE-CE1 3.52Å; M932-Y934 HydrophobicContact CG-CE1 4.01Å; M932-Y934 WeakPolarHBondContact CG-OH 3.39Å; M932-Y934 PolarHBondContact O-N 3.39Å; M932-L935 PolarHBondContact O-N 3.44Å; M932-L935 VanDerWaalsContact O-N 3.11Å
933	G	47.2	Very low	44.7	Very low	37 Å²	37	116.9 Å²	116.9	38%	0.381	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.4	-6.9	-169.6	0	0	0	0	0	116.4	R931	R931-G933 PolarHBondContact O-N 3.16Å
934	Y	54.6	Low	43.1	Very low	9 Å²	9	115 Å²	115	4%	0.035	62%	0.615	C	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	-2.3	173.9	54.8	-108.4	0	0	0	114	Y646 F881 M932	Y646-Y934 AromaticContact CE2-CD2 3.86Å; Y646-Y934 HydrophobicContact CE2-CD2 3.86Å; Y646-Y934 HydrophobicContact CE2-CE2 4.44Å; Y646-Y934 AromaticContact CE2-CG 3.94Å; Y646-Y934 HydrophobicContact CE2-CG 3.94Å; F881-Y934 HydrophobicContact CZ-CE2 4.45Å; M932-Y934 HydrophobicContact CB-CD1 3.93Å; M932-Y934 HydrophobicContact CB-CD2 4.41Å; M932-Y934 HydrophobicContact CB-CE1 3.42Å; M932-Y934 VanDerWaalsContact CB-CE1 3.42Å; M932-Y934 HydrophobicContact CB-CE2 3.9Å; M932-Y934 HydrophobicContact CB-CG 4.42Å; M932-Y934 HydrophobicContact CE-CE1 3.52Å; M932-Y934 HydrophobicContact CG-CE1 4.01Å; M932-Y934 WeakPolarHBondContact CG-OH 3.39Å; M932-Y934 PolarHBondContact O-N 3.39Å
935	L	50.1	Low	41.9	Very low	53 Å²	53	113 Å²	113	28%	0.277	62%	0.62	S	S	.	*	S	Bend	trans	-88.3	139.5	173.7	-69.4	168.3	0	0	0	109.7	F643 M932 V937	F643-L935 HydrophobicContact CD1-CD2 4.13Å; F643-L935 HydrophobicContact CE1-CD2 3.56Å; F643-L935 HydrophobicContact CZ-CD2 4.38Å; M932-L935 PolarHBondContact O-N 3.44Å; M932-L935 VanDerWaalsContact O-N 3.11Å; L935-V937 PolarHBondContact O-N 2.83Å
936	P	42.4	Very low	40.1	Very low	92 Å²	92	118 Å²	118	60%	0.597	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-52.8	130	-179.3	-23.3	31	0	0	0	111.8	Q938	P936-Q938 PolarHBondContact O-N 3.28Å
937	V	38.9	Very low	38.7	Very low	111 Å²	111	123.7 Å²	123.7	67%	0.673	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-66.5	120.6	168.1	179.4	0	0	0	0	107	L935 T939	L935-V937 PolarHBondContact O-N 2.83Å; V937-T939 PolarHBondContact O-N 2.82Å
938	Q	30.5	Very low	37.2	Very low	150 Å²	150	125.7 Å²	125.7	70%	0.701	68%	0.679	S	S	*	*			trans	-72.7	99.3	178.3	-155.2	162.6	8.2	0	0	107.3	P936 V940	P936-Q938 PolarHBondContact O-N 3.28Å; Q938-V940 PolarHBondContact O-N 3.37Å
939	T	31.5	Very low	36.1	Very low	124 Å²	124	122 Å²	122	76%	0.761	67%	0.674	S	S	*	*			trans	-60.5	127.7	168.5	36.8	0	0	0	0	108.1	V937	V937-T939 PolarHBondContact O-N 2.82Å
940	V	28.7	Very low	35	Very low	136 Å²	136	122.6 Å²	122.6	82%	0.824	70%	0.695	S	S	*	*	S	Bend	trans	-74.4	137.1	-175	175.1	0	0	0	0	108.9	Q938	Q938-V940 PolarHBondContact O-N 3.37Å
941	L	32.3	Very low	34	Very low	168 Å²	168	121.3 Å²	121.3	88%	0.88	69%	0.689	S	S	*	*			trans	80.4	80.6	-178.6	-67	156.8	0	0	0	116.2
942	E	29.6	Very low	32.6	Very low	190 Å²	190	117.9 Å²	117.9	89%	0.888	69%	0.692	S	S	*	*			trans	-145.5	137	145.6	-106.7	168.1	-165.4	0	0	107.8
943	G	26.8	Very low	31.4	Very low	76 Å²	76	119.1 Å²	119.1	78%	0.784	71%	0.707	S	S	*	*			trans	-70.7	-163.5	-174.7	0	0	0	0	0	114
944	D	24.2	Very low	30.5	Very low	162 Å²	162	125.9 Å²	125.9	87%	0.866	73%	0.729	S	S	*	*	S	Bend	trans	-46.9	148.9	-173	-96	-32.4	0	0	0	115	M946	D944-M946 PolarHBondContact O-N 3.46Å
945	N	29.8	Very low	29.3	Very low	171 Å²	171	131 Å²	131	91%	0.914	76%	0.756	S	S	*	*			trans	-45.9	98.6	-179	-69.8	-49.3	0	0	0	112.4
946	M	23.4	Very low	28.2	Very low	169 Å²	169	131.6 Å²	131.6	83%	0.833	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-100.9	129.5	156	-86.6	-165.4	51.2	0	0	108.9	D944 T948	D944-M946 PolarHBondContact O-N 3.46Å; M946-T948 PolarHBondContact O-N 2.83Å; M946-T948 VanDerWaalsContact O-N 3.11Å
947	E	25.7	Very low	28.1	Very low	190 Å²	190	131.2 Å²	131.2	89%	0.888	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-51.3	116.3	169.5	-68.7	176.7	150.6	0	0	109	P949	E947-P949 WeakPolarHBondContact O-CD 3.29Å
948	T	22.1	Very low	27.8	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-65.2	124.1	172.8	-34.3	0	0	0	0	107.6	M946 A950	M946-T948 PolarHBondContact O-N 2.83Å; M946-T948 VanDerWaalsContact O-N 3.11Å; T948-A950 PolarHBondContact O-N 3.35Å
949	P	23.7	Very low	28.3	Very low	108 Å²	108	126.1 Å²	126.1	70%	0.701	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-56.4	125.6	168.8	-19.5	30.8	0	0	0	108.4	E947 S951	E947-P949 WeakPolarHBondContact O-CD 3.29Å; P949-S951 PolarHBondContact O-N 2.81Å
950	A	25.2	Very low	28.7	Very low	104 Å²	104	122.6 Å²	122.6	86%	0.86	71%	0.707	S	S	*	*			trans	-65.1	83.4	169.1	0	0	0	0	0	108.8	T948	T948-A950 PolarHBondContact O-N 3.35Å
951	S	24	Very low	29.2	Very low	97 Å²	97	123.1 Å²	123.1	68%	0.678	70%	0.7	S	S	*	*			trans	-147.1	67.7	170.5	-56.1	0	0	0	0	108.2	P949	P949-S951 PolarHBondContact O-N 2.81Å
952	S	21.9	Very low	29.5	Very low	107 Å²	107	117.4 Å²	117.4	75%	0.748	67%	0.674	S	S	*	*			trans	-57.6	130.8	141.3	-57.7	0	0	0	0	105.5	Q954	S952-Q954 PolarHBondContact O-N 2.8Å
953	P	27.8	Very low	30	Very low	119 Å²	119	114.9 Å²	114.9	77%	0.773	66%	0.657	S	S	*	*			trans	-55.3	113.6	174.9	23.8	-31.7	0	0	0	106.1	L955	P953-L955 VanDerWaalsContact C-N 3.32Å; P953-L955 PolarHBondContact O-N 2.65Å
954	Q	27	Very low	30.8	Very low	180 Å²	180	116.8 Å²	116.8	84%	0.841	65%	0.648	S	S	*	*			trans	-57.2	111.8	160	-83	177	-47.2	0	0	103.7	S952 S956	S952-Q954 PolarHBondContact O-N 2.8Å; Q954-S956 PolarHBondContact O-N 3.47Å
955	L	29.7	Very low	31.5	Very low	116 Å²	116	115.3 Å²	115.3	61%	0.607	64%	0.636	S	S	*	*			trans	-60.8	87.3	155.6	-74.2	160.5	0	0	0	104.1	P953 H957	P953-L955 VanDerWaalsContact C-N 3.32Å; P953-L955 PolarHBondContact O-N 2.65Å; L955-H957 PolarHBondContact O-N 3.14Å
956	S	27.1	Very low	31.8	Very low	66 Å²	66	113.2 Å²	113.2	46%	0.462	62%	0.62	S	S	.	*			trans	-62.3	126.8	163.8	62	0	0	0	0	105.5	Q954 D958	Q954-S956 PolarHBondContact O-N 3.47Å; S956-D958 WeakPolarHBondContact CB-OD2 3.44Å; S956-D958 PolarHBondContact O-N 3.45Å; S956-D958 PolarHBondContact OG-OD2 2.88Å
957	H	40.4	Very low	32.6	Very low	84 Å²	84	111.7 Å²	111.7	39%	0.389	61%	0.606	S	S	.	*			trans	-72.1	47	174.2	-93.4	-83.3	0	0	0	109.9	D624 Y632 L955	D624-H957 IonicContact OD2-CE1 2.79Å; D624-H957 PolarHBondContact OD2-CE1 3.31Å; D624-H957 VanDerWaalsContact OD2-CE1 3.31Å; D624-H957 IonicContact OD2-ND1 2.76Å; D624-H957 PolarHBondContact OD2-ND1 2.94Å; Y632-H957 VanDerWaalsContact CB-NE2 3.34Å; Y632-H957 WeakPolarHBondContact CB-NE2 3.34Å; Y632-H957 AromaticContact CD2-CE1 3.46Å; Y632-H957 VanDerWaalsContact CD2-CE1 3.46Å; Y632-H957 WeakPolarHBondContact CD2-CE1 3.39Å; Y632-H957 AromaticContact CD2-NE2 3.51Å; Y632-H957 AromaticContact CG-NE2 3.77Å; L955-H957 PolarHBondContact O-N 3.14Å
958	D	33.1	Very low	33.3	Very low	93 Å²	93	105.2 Å²	105.2	50%	0.497	59%	0.585	S	S	.	*			trans	-84.8	150.5	178	-68.1	-39.2	0	0	0	110.5	S956	S956-D958 WeakPolarHBondContact CB-OD2 3.44Å; S956-D958 PolarHBondContact O-N 3.45Å; S956-D958 PolarHBondContact OG-OD2 2.88Å
959	D	41.3	Very low	34.2	Very low	61 Å²	61	101.7 Å²	101.7	33%	0.326	57%	0.566	S	S	.	*			trans	-38.3	146.4	-175.6	-160.4	-5.5	0	0	0	113.5	H961 S962 R963	D959-H961 PolarHBondContact O-N 3.38Å; D959-H961 VanDerWaalsContact O-N 3.09Å; D959-S962 WeakPolarHBondContact O-CA 3.38Å; D959-S962 WeakPolarHBondContact O-CB 3.32Å; D959-S962 PolarHBondContact O-N 3.19Å; D959-R963 PolarHBondContact O-N 3.26Å
960	T	38.8	Very low	34.9	Very low	50 Å²	50	103.8 Å²	103.8	31%	0.307	56%	0.56	S	S	.	*	H	α-helix	trans	-55.9	-32.9	-178.8	-38.6	0	0	0	0	110.8	I964	T960-I964 WeakPolarHBondContact O-CG1 3.28Å; T960-I964 PolarHBondContact O-N 3.24Å
961	H	39.1	Very low	35.6	Very low	147 Å²	147	104 Å²	104	68%	0.681	55%	0.546	S	S	*	.	H	α-helix	trans	-63.7	-46.2	171.7	-87	-78.2	0	0	0	113	D959 R963 I964 E965	D959-H961 PolarHBondContact O-N 3.38Å; D959-H961 VanDerWaalsContact O-N 3.09Å; H961-R963 VanDerWaalsContact C-N 3.33Å; H961-R963 PolarHBondContact O-N 2.98Å; H961-I964 PolarHBondContact O-N 2.74Å; H961-E965 WeakPolarHBondContact O-CB 3.39Å; H961-E965 PolarHBondContact O-N 2.98Å
962	S	39.4	Very low	36.6	Very low	48 Å²	48	101.5 Å²	101.5	34%	0.336	53%	0.531	S	S	.	.	H	α-helix	trans	-63.9	-36	177.8	-51.3	0	0	0	0	112.3	D959 E965 H966	D959-S962 WeakPolarHBondContact O-CA 3.38Å; D959-S962 WeakPolarHBondContact O-CB 3.32Å; D959-S962 PolarHBondContact O-N 3.19Å; S962-E965 PolarHBondContact O-N 3.47Å; S962-H966 VanDerWaalsContact O-CB 3.27Å; S962-H966 WeakPolarHBondContact O-CB 3.48Å; S962-H966 PolarHBondContact O-N 2.96Å
963	R	40.4	Very low	37.5	Very low	136 Å²	136	102.7 Å²	102.7	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-66.1	-44	176.5	-70.8	177.8	62.5	-173.8	-2.4	112.4	D959 H961 E965 H966 Y967	D959-R963 PolarHBondContact O-N 3.26Å; H961-R963 VanDerWaalsContact C-N 3.33Å; H961-R963 PolarHBondContact O-N 2.98Å; R963-E965 VanDerWaalsContact C-N 3.33Å; R963-H966 PolarHBondContact O-N 3.45Å; R963-Y967 WeakPolarHBondContact O-CD2 3.39Å; R963-Y967 PolarHBondContact O-N 2.75Å
964	I	43.6	Very low	38	Very low	116 Å²	116	103.7 Å²	103.7	60%	0.595	52%	0.521	S	S	*	.	H	α-helix	trans	-64.6	-41.6	176.8	-66.8	169	0	0	0	109.9	T960 H961 H966 Y967 A968	T960-I964 WeakPolarHBondContact O-CG1 3.28Å; T960-I964 PolarHBondContact O-N 3.24Å; H961-I964 PolarHBondContact O-N 2.74Å; I964-H966 VanDerWaalsContact C-N 3.35Å; I964-H966 PolarHBondContact O-N 2.64Å; I964-Y967 PolarHBondContact O-N 3.2Å; I964-A968 WeakPolarHBondContact O-CB 3.5Å; I964-A968 PolarHBondContact O-N 2.86Å
965	E	38.1	Very low	38.4	Very low	132 Å²	132	102.4 Å²	102.4	62%	0.617	52%	0.515	S	S	*	.	H	α-helix	trans	-64.7	-37.4	176.3	-165.2	170.4	-149.2	0	0	112	H961 S962 R963 A968 S969	H961-E965 WeakPolarHBondContact O-CB 3.39Å; H961-E965 PolarHBondContact O-N 2.98Å; S962-E965 PolarHBondContact O-N 3.47Å; R963-E965 VanDerWaalsContact C-N 3.33Å; E965-A968 PolarHBondContact O-N 2.77Å; E965-S969 WeakPolarHBondContact O-CB 3.25Å; E965-S969 PolarHBondContact O-N 3.09Å; E965-S969 PolarHBondContact O-OG 3.41Å
966	H	36	Very low	38.9	Very low	127 Å²	127	103.5 Å²	103.5	59%	0.588	52%	0.521	S	S	*	.	H	α-helix	trans	-73.9	-33.9	178.4	-145.5	-44.8	0	0	0	113.2	S962 R963 I964 R970	S962-H966 VanDerWaalsContact O-CB 3.27Å; S962-H966 WeakPolarHBondContact O-CB 3.48Å; S962-H966 PolarHBondContact O-N 2.96Å; R963-H966 PolarHBondContact O-N 3.45Å; I964-H966 VanDerWaalsContact C-N 3.35Å; I964-H966 PolarHBondContact O-N 2.64Å; H966-R970 WeakPolarHBondContact O-CB 3.32Å; H966-R970 WeakPolarHBondContact O-CG 3.35Å; H966-R970 PolarHBondContact O-N 2.93Å
967	Y	40.5	Very low	39.3	Very low	136 Å²	136	104.6 Å²	104.6	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-71.4	-42	170.8	-81.1	-65.6	0	0	0	111.7	R963 I964 R970 L971	R963-Y967 WeakPolarHBondContact O-CD2 3.39Å; R963-Y967 PolarHBondContact O-N 2.75Å; I964-Y967 PolarHBondContact O-N 3.2Å; Y967-R970 PolarHBondContact O-N 2.77Å; Y967-L971 WeakPolarHBondContact O-CB 3.45Å; Y967-L971 PolarHBondContact O-N 3.45Å
968	A	40.5	Very low	38.9	Very low	54 Å²	54	108 Å²	108	45%	0.446	55%	0.55	S	S	.	*	H	α-helix	trans	-64.5	-40.2	175.4	0	0	0	0	0	111.7	I964 E965 L971 A972	I964-A968 WeakPolarHBondContact O-CB 3.5Å; I964-A968 PolarHBondContact O-N 2.86Å; E965-A968 PolarHBondContact O-N 2.77Å; A968-L971 PolarHBondContact O-N 3.41Å; A968-A972 WeakPolarHBondContact O-CB 3.39Å; A968-A972 PolarHBondContact O-N 3.02Å
969	S	40.6	Very low	39.1	Very low	55 Å²	55	106.3 Å²	106.3	39%	0.385	55%	0.554	S	S	.	*	H	α-helix	trans	-66.9	-40.9	175.4	-59	0	0	0	0	112	E965 A972 E973	E965-S969 WeakPolarHBondContact O-CB 3.25Å; E965-S969 PolarHBondContact O-N 3.09Å; E965-S969 PolarHBondContact O-OG 3.41Å; S969-A972 PolarHBondContact O-N 3.26Å; S969-E973 WeakPolarHBondContact O-CB 3.46Å; S969-E973 WeakPolarHBondContact O-CG 3.26Å; S969-E973 PolarHBondContact O-N 3.08Å
970	R	39	Very low	38.6	Very low	152 Å²	152	108 Å²	108	57%	0.574	57%	0.57	S	S	*	*	H	α-helix	trans	-69	-34.3	174.5	-79.6	-143.4	-62.6	165.6	-1.3	113.7	H966 Y967 M974	H966-R970 WeakPolarHBondContact O-CB 3.32Å; H966-R970 WeakPolarHBondContact O-CG 3.35Å; H966-R970 PolarHBondContact O-N 2.93Å; Y967-R970 PolarHBondContact O-N 2.77Å; R970-M974 WeakPolarHBondContact O-CB 3.45Å; R970-M974 PolarHBondContact O-N 2.96Å
971	L	40.2	Very low	37.9	Very low	109 Å²	109	116.5 Å²	116.5	57%	0.571	60%	0.599	S	S	*	*	H	α-helix	trans	-65.7	-43	171.8	-87.6	158.2	0	0	0	110.8	Y967 A968 M974 E975	Y967-L971 WeakPolarHBondContact O-CB 3.45Å; Y967-L971 PolarHBondContact O-N 3.45Å; A968-L971 PolarHBondContact O-N 3.41Å; L971-M974 PolarHBondContact O-N 3.27Å; L971-E975 WeakPolarHBondContact O-CB 3.46Å; L971-E975 WeakPolarHBondContact O-CG 3.38Å; L971-E975 PolarHBondContact O-N 2.92Å
972	A	43.8	Very low	37.5	Very low	44 Å²	44	117.5 Å²	117.5	36%	0.364	61%	0.608	S	S	.	*	H	α-helix	trans	-66.3	-34.7	175.3	0	0	0	0	0	113	A968 S969 N976	A968-A972 WeakPolarHBondContact O-CB 3.39Å; A968-A972 PolarHBondContact O-N 3.02Å; S969-A972 PolarHBondContact O-N 3.26Å; A972-N976 WeakPolarHBondContact O-CB 3.17Å; A972-N976 PolarHBondContact O-N 3.49Å; A972-N976 PolarHBondContact O-ND2 2.66Å
973	E	41	Very low	37	Very low	131 Å²	131	122.3 Å²	122.3	61%	0.612	63%	0.63	S	S	*	*	H	α-helix	trans	-70.1	-38.9	173.3	-78.3	175.4	173.4	0	0	112.1	S969 N976 S977	S969-E973 WeakPolarHBondContact O-CB 3.46Å; S969-E973 WeakPolarHBondContact O-CG 3.26Å; S969-E973 PolarHBondContact O-N 3.08Å; E973-N976 PolarHBondContact O-N 3.45Å; E973-S977 WeakPolarHBondContact O-CB 3.48Å; E973-S977 PolarHBondContact O-N 3.07Å; E973-S977 PolarHBondContact O-OG 3.48Å
974	M	37.5	Very low	36.3	Very low	140 Å²	140	122.9 Å²	122.9	69%	0.69	64%	0.644	S	S	*	*	H	α-helix	trans	-69.6	-33.4	176.2	-128.2	173.4	177.1	0	0	112.3	R970 L971	R970-M974 WeakPolarHBondContact O-CB 3.45Å; R970-M974 PolarHBondContact O-N 2.96Å; L971-M974 PolarHBondContact O-N 3.27Å
975	E	37.1	Very low	35.6	Very low	153 Å²	153	122.5 Å²	122.5	72%	0.715	65%	0.651	S	S	*	*	H	α-helix	trans	-73.4	-34.2	173.7	-76.9	-179.7	160.2	0	0	112.5	L971	L971-E975 WeakPolarHBondContact O-CB 3.46Å; L971-E975 WeakPolarHBondContact O-CG 3.38Å; L971-E975 PolarHBondContact O-N 2.92Å
976	N	38.6	Very low	35.1	Very low	139 Å²	139	124.5 Å²	124.5	74%	0.743	66%	0.664	S	S	*	*	H	α-helix	trans	-79.7	-18.2	176.8	-83.5	-26.7	0	0	0	114.5	A972 E973	A972-N976 WeakPolarHBondContact O-CB 3.17Å; A972-N976 PolarHBondContact O-N 3.49Å; A972-N976 PolarHBondContact O-ND2 2.66Å; E973-N976 PolarHBondContact O-N 3.45Å
977	S	35.3	Very low	34.6	Very low	90 Å²	90	123.2 Å²	123.2	63%	0.629	67%	0.669	S	S	*	*	S	Bend	trans	-94.1	-3.3	-179.7	43.7	0	0	0	0	114.5	E973	E973-S977 WeakPolarHBondContact O-CB 3.48Å; E973-S977 PolarHBondContact O-N 3.07Å; E973-S977 PolarHBondContact O-OG 3.48Å
978	N	33.2	Very low	34.8	Very low	156 Å²	156	122 Å²	122	83%	0.834	68%	0.678	S	S	*	*	S	Bend	trans	-91.4	10	176.3	-103.2	0.9	0	0	0	114.5
979	G	36.4	Very low	34.2	Very low	56 Å²	56	126.4 Å²	126.4	58%	0.577	69%	0.694	S	S	*	*	S	Bend	trans	-133.8	106.3	-179.9	0	0	0	0	0	112.3
980	S	30.4	Very low	33.8	Very low	96 Å²	96	132.3 Å²	132.3	67%	0.671	72%	0.716	S	S	*	*			trans	73	98	163.8	-178.7	0	0	0	0	117.1
981	Y	25.8	Very low	33.8	Very low	229 Å²	229	129.5 Å²	129.5	90%	0.898	72%	0.719	S	S	*	*				-166.9	84.3	120.8	-84.1	-65.7	0	0	0	109
982	L	29.5	Very low	33.7	Very low	168 Å²	168	130.4 Å²	130.4	88%	0.88	72%	0.724	S	S	*	*			trans	-109.6	110.9	155.4	-78.1	176.5	0	0	0	107.8
983	N	28.8	Very low	33.5	Very low	149 Å²	149	134.7 Å²	134.7	80%	0.797	74%	0.74	S	S	*	*			trans	174.7	112.2	133.3	-100.5	-5.1	0	0	0	109.8
984	D	26.8	Very low	33.6	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	74%	0.74	S	S	*	*	S	Bend		-168.8	130.1	101.9	-100.3	-17.4	0	0	0	111
985	S	28	Very low	34.1	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	74%	0.739	S	S	*	*	S	Bend	trans	111.7	101	152.9	-43	0	0	0	0	117.4
986	I	28	Very low	34.5	Very low	174 Å²	174	133 Å²	133	89%	0.892	73%	0.734	S	S	*	*			trans	105.5	116.5	149.8	-49.1	172.9	0	0	0	116.4
987	S	26	Very low	34.9	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	73%	0.727	S	S	*	*			trans	-105.6	-178.5	-177	-177.8	0	0	0	0	109.3
988	P	44.1	Very low	35.4	Very low	111 Å²	111	133.7 Å²	133.7	72%	0.721	73%	0.73	S	S	*	*			cis	-125.6	175.5	-47.7	30.2	-13	0	0	0	112.2
989	N	28.4	Very low	36.1	Very low	146 Å²	146	131.1 Å²	131.1	78%	0.781	72%	0.715	S	S	*	*			trans	124.2	126.3	135.2	-130.3	30.2	0	0	0	116.8
990	E	32.5	Very low	36.2	Very low	179 Å²	179	133.9 Å²	133.9	84%	0.836	71%	0.713	S	S	*	*	S	Bend	trans	84.6	126.6	167.1	-58.9	-175.3	172.3	0	0	119.2
991	S	39.3	Very low	36.6	Very low	93 Å²	93	135.5 Å²	135.5	65%	0.65	71%	0.709	S	S	*	*			trans	105.2	37.2	161.2	-165.8	0	0	0	0	120.4
992	I	37.6	Very low	37.3	Very low	129 Å²	129	132.2 Å²	132.2	66%	0.662	70%	0.696	S	S	*	*	S	Bend	trans	-100.8	-16.5	166.7	-83.5	172.1	0	0	0	113.8	D994	I992-D994 PolarHBondContact O-N 3.29Å
993	D	39.7	Very low	37.9	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	68%	0.677	S	S	*	*	H	α-helix	trans	-79.6	-15.6	-175.1	-72.8	-26.6	0	0	0	114.5
994	D	43.2	Very low	38.2	Very low	114 Å²	114	126 Å²	126	61%	0.61	67%	0.665	S	S	*	*	H	α-helix	trans	-83.8	-29	-178.3	-88.6	-13.3	0	0	0	114.1	I992 L998	I992-D994 PolarHBondContact O-N 3.29Å; D994-L998 PolarHBondContact O-N 3.27Å
995	E	47.2	Very low	38.9	Very low	140 Å²	140	122.6 Å²	122.6	65%	0.654	65%	0.653	S	S	*	*	H	α-helix	trans	-79.2	-33.8	-177.6	-67.2	-168.1	154.4	0	0	112.5	L998 I999	E995-L998 PolarHBondContact O-N 3.47Å; E995-I999 WeakPolarHBondContact O-CG1 3.44Å; E995-I999 PolarHBondContact O-N 3.45Å
996	H	45.5	Very low	39.6	Very low	134 Å²	134	123 Å²	123	62%	0.62	65%	0.646	S	S	*	*	H	α-helix	trans	-72.6	-32.2	176.2	-80.5	-69.7	0	0	0	112.6	Q1000	H996-Q1000 WeakPolarHBondContact O-CB 3.37Å; H996-Q1000 PolarHBondContact O-N 3.19Å; H996-Q1000 VanDerWaalsContact O-N 3.11Å
997	L	48.1	Very low	40	Very low	112 Å²	112	121.8 Å²	121.8	59%	0.586	64%	0.641	S	S	*	*	H	α-helix	trans	-69.1	-36.5	170.4	-93.6	154.6	0	0	0	111.9	H1001	L997-H1001 VanDerWaalsContact O-CB 3.3Å; L997-H1001 WeakPolarHBondContact O-CB 3.39Å; L997-H1001 PolarHBondContact O-N 2.75Å
998	L	44.4	Very low	40.3	Very low	132 Å²	132	124.8 Å²	124.8	69%	0.691	65%	0.645	S	S	*	*	H	α-helix	trans	-67.9	-41.1	176.8	-120.9	85.9	0	0	0	113	D994 E995 H1001 Y1002	D994-L998 PolarHBondContact O-N 3.27Å; E995-L998 PolarHBondContact O-N 3.47Å; L998-H1001 PolarHBondContact O-N 3.12Å; L998-Y1002 VanDerWaalsContact O-CB 3.32Å; L998-Y1002 WeakPolarHBondContact O-CB 3.43Å; L998-Y1002 PolarHBondContact O-N 2.94Å
999	I	49.7	Very low	40.4	Very low	101 Å²	101	127.3 Å²	127.3	52%	0.518	65%	0.652	S	S	.	*	H	α-helix	trans	-69.2	-39	177.6	-66.3	166.3	0	0	0	110.2	E995 Y1002 C1003	E995-I999 WeakPolarHBondContact O-CG1 3.44Å; E995-I999 PolarHBondContact O-N 3.45Å; I999-Y1002 PolarHBondContact O-N 3.49Å; I999-C1003 WeakPolarHBondContact O-CB 3.46Å; I999-C1003 PolarHBondContact O-N 3Å; I999-C1003 PolarHBondContact O-SG 3.39Å; I999-C1003 VanDerWaalsContact O-SG 3.36Å
1000	Q	38	Very low	40.3	Very low	115 Å²	115	125.7 Å²	125.7	54%	0.537	65%	0.652	S	S	.	*	H	α-helix	trans	-66.9	-36.8	175.3	-163.5	172.9	18.2	0	0	112.1	H996 Q1004	H996-Q1000 WeakPolarHBondContact O-CB 3.37Å; H996-Q1000 PolarHBondContact O-N 3.19Å; H996-Q1000 VanDerWaalsContact O-N 3.11Å; Q1000-Q1004 WeakPolarHBondContact O-CB 3.34Å; Q1000-Q1004 VanDerWaalsContact O-CG 3.29Å; Q1000-Q1004 WeakPolarHBondContact O-CG 3.47Å; Q1000-Q1004 PolarHBondContact O-N 3.04Å
1001	H	37.8	Very low	40.4	Very low	130 Å²	130	122.3 Å²	122.3	60%	0.602	65%	0.646	S	S	*	*	H	α-helix	trans	-72	-31.1	174.6	-151.3	-78.4	0	0	0	112.8	L997 L998 S1005	L997-H1001 VanDerWaalsContact O-CB 3.3Å; L997-H1001 WeakPolarHBondContact O-CB 3.39Å; L997-H1001 PolarHBondContact O-N 2.75Å; L998-H1001 PolarHBondContact O-N 3.12Å; H1001-S1005 WeakPolarHBondContact O-CB 3.44Å; H1001-S1005 PolarHBondContact O-N 3.48Å; H1001-S1005 VanDerWaalsContact O-N 3.13Å; H1001-S1005 PolarHBondContact O-OG 3.05Å
1002	Y	40.8	Very low	40.4	Very low	159 Å²	159	126.4 Å²	126.4	62%	0.624	66%	0.659	S	S	*	*	H	α-helix	trans	-72	-43.3	173.6	-170	-105.4	0	0	0	112.2	L998 I999 S1005 L1006	L998-Y1002 VanDerWaalsContact O-CB 3.32Å; L998-Y1002 WeakPolarHBondContact O-CB 3.43Å; L998-Y1002 PolarHBondContact O-N 2.94Å; I999-Y1002 PolarHBondContact O-N 3.49Å; Y1002-S1005 PolarHBondContact O-N 3.18Å; Y1002-L1006 HydrophobicContact CD1-CD1 4.02Å; Y1002-L1006 HydrophobicContact CE1-CD1 3.71Å; Y1002-L1006 PolarHBondContact O-N 3.06Å
1003	C	41.8	Very low	40.3	Very low	70 Å²	70	125.8 Å²	125.8	47%	0.473	67%	0.666	S	S	.	*	H	α-helix	trans	-68.1	-32.5	175	-69.9	0	0	0	0	112.5	I999 S1005	I999-C1003 WeakPolarHBondContact O-CB 3.46Å; I999-C1003 PolarHBondContact O-N 3Å; I999-C1003 PolarHBondContact O-SG 3.39Å; I999-C1003 VanDerWaalsContact O-SG 3.36Å; C1003-S1005 VanDerWaalsContact C-N 3.35Å
1004	Q	35.8	Very low	39.9	Very low	117 Å²	117	128.2 Å²	128.2	55%	0.547	67%	0.673	S	S	.	*	H	α-helix	trans	-73.2	-24.6	172.3	-75.3	175.3	-0.1	0	0	113.2	Q1000	Q1000-Q1004 WeakPolarHBondContact O-CB 3.34Å; Q1000-Q1004 VanDerWaalsContact O-CG 3.29Å; Q1000-Q1004 WeakPolarHBondContact O-CG 3.47Å; Q1000-Q1004 PolarHBondContact O-N 3.04Å
1005	S	40.9	Very low	39.6	Very low	78 Å²	78	128.9 Å²	128.9	55%	0.545	68%	0.684	S	S	.	*	H	α-helix	trans	-78.9	-20.7	176.3	-60.3	0	0	0	0	113.9	H1001 Y1002 C1003	H1001-S1005 WeakPolarHBondContact O-CB 3.44Å; H1001-S1005 PolarHBondContact O-N 3.48Å; H1001-S1005 VanDerWaalsContact O-N 3.13Å; H1001-S1005 PolarHBondContact O-OG 3.05Å; Y1002-S1005 PolarHBondContact O-N 3.18Å; C1003-S1005 VanDerWaalsContact C-N 3.35Å
1006	L	42.6	Very low	39.1	Very low	117 Å²	117	131.2 Å²	131.2	61%	0.613	69%	0.687	S	S	*	*	S	Bend	trans	-85	-13.6	179.4	-78.5	163.5	0	0	0	114.2	Y1002	Y1002-L1006 HydrophobicContact CD1-CD1 4.02Å; Y1002-L1006 HydrophobicContact CE1-CD1 3.71Å; Y1002-L1006 PolarHBondContact O-N 3.06Å
1007	N	35.8	Very low	38.9	Very low	148 Å²	148	127.3 Å²	127.3	79%	0.791	67%	0.674	S	S	*	*	S	Bend	trans	-108.1	14.1	-176.1	-85.9	1.1	0	0	0	114.5
1008	Q	32.6	Very low	38.3	Very low	162 Å²	162	126 Å²	126	76%	0.757	67%	0.673	S	S	*	*			trans	-95.8	108.4	168.6	-72.9	-171.8	9.3	0	0	110.3	S1010	Q1008-S1010 PolarHBondContact O-N 3.1Å
1009	D	46.6	Very low	38	Very low	164 Å²	164	122.7 Å²	122.7	88%	0.877	66%	0.664	S	S	*	*			trans	-53.6	119.6	166.8	-81.2	-42.5	0	0	0	110.6
1010	S	27.4	Very low	37.8	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	66%	0.661	S	S	*	*			trans	-159.7	155.7	168.2	-91.7	0	0	0	0	112.3	Q1008	Q1008-S1010 PolarHBondContact O-N 3.1Å
1011	P	32.9	Very low	38.3	Very low	109 Å²	109	120.4 Å²	120.4	71%	0.708	65%	0.653	S	S	*	*				-99.6	144.2	-129.9	26	-16.9	0	0	0	116	S1013	P1011-S1013 PolarHBondContact O-N 2.79Å
1012	L	39.9	Very low	38.7	Very low	178 Å²	178	119.3 Å²	119.3	93%	0.932	65%	0.651	S	S	*	*	S	Bend	trans	24.6	74.7	145.9	-70.3	157.9	0	0	0	117.3
1013	S	35.5	Very low	39.2	Very low	116 Å²	116	117 Å²	117	81%	0.811	65%	0.648	S	S	*	*			trans	178.3	53.8	152.9	38	0	0	0	0	115.6	P1011	P1011-S1013 PolarHBondContact O-N 2.79Å
1014	Q	31.6	Very low	39.1	Very low	185 Å²	185	115.9 Å²	115.9	86%	0.864	64%	0.642	S	S	*	*			trans	-139.9	139.6	162.2	-93.6	-176.5	-4.1	0	0	111.4
1015	P	35.9	Very low	39.4	Very low	129 Å²	129	114.8 Å²	114.8	84%	0.838	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-80.2	138.2	-179.3	30.9	-31.6	0	0	0	112.4
1016	R	38	Very low	39.6	Very low	188 Å²	188	117 Å²	117	71%	0.709	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-67.9	140.5	174.8	-68.1	-177.7	178.1	-176.6	-0.6	111.3	Q1020	R1016-Q1020 HydrophobicContact CB-CB 4.42Å
1017	S	40.3	Very low	39.8	Very low	52 Å²	52	115 Å²	115	36%	0.364	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-70.3	152.8	178	69	0	0	0	0	112.1	A1019 Q1020 I1021	S1017-A1019 PolarHBondContact O-N 3.33Å; S1017-A1019 VanDerWaalsContact O-N 3.12Å; S1017-Q1020 WeakPolarHBondContact O-CB 3.22Å; S1017-Q1020 PolarHBondContact O-N 2.94Å; S1017-Q1020 PolarHBondContact OG-OE1 3.28Å; S1017-I1021 PolarHBondContact O-N 3.17Å
1018	P	36.5	Very low	40.1	Very low	85 Å²	85	114.7 Å²	114.7	55%	0.552	63%	0.63	S	S	*	*	H	α-helix	trans	-54.3	-30.4	178.2	-28.2	35.7	0	0	0	114.8	I1021 L1022	P1018-I1021 PolarHBondContact O-N 3.41Å; P1018-L1022 PolarHBondContact O-N 2.78Å
1019	A	38.5	Very low	40.8	Very low	62 Å²	62	113 Å²	113	51%	0.512	62%	0.623	S	S	.	*	H	α-helix	trans	-66.8	-35	175.1	0	0	0	0	0	112.8	S1017 I1021 I1023	S1017-A1019 PolarHBondContact O-N 3.33Å; S1017-A1019 VanDerWaalsContact O-N 3.12Å; A1019-I1021 VanDerWaalsContact C-N 3.35Å; A1019-I1023 WeakPolarHBondContact O-CG1 3.49Å; A1019-I1023 PolarHBondContact O-N 3.41Å
1020	Q	44.3	Very low	40.7	Very low	98 Å²	98	113.4 Å²	113.4	46%	0.458	61%	0.612	S	S	.	*	H	α-helix	trans	-74.3	-24.2	178.9	-74.9	164.3	-32	0	0	113.1	R1016 S1017 S1024	R1016-Q1020 HydrophobicContact CB-CB 4.42Å; S1017-Q1020 WeakPolarHBondContact O-CB 3.22Å; S1017-Q1020 PolarHBondContact O-N 2.94Å; S1017-Q1020 PolarHBondContact OG-OE1 3.28Å; Q1020-S1024 PolarHBondContact O-N 2.96Å; Q1020-S1024 PolarHBondContact O-OG 3.44Å
1021	I	47.8	Very low	41.9	Very low	70 Å²	70	109.7 Å²	109.7	36%	0.359	59%	0.591	S	S	.	*	H	α-helix	trans	-74.2	-39.7	175.6	-62.2	174.1	0	0	0	110.4	S1017 P1018 A1019 S1024 L1025	S1017-I1021 PolarHBondContact O-N 3.17Å; P1018-I1021 PolarHBondContact O-N 3.41Å; A1019-I1021 VanDerWaalsContact C-N 3.35Å; I1021-S1024 WeakPolarHBondContact O-CB 3.5Å; I1021-S1024 PolarHBondContact O-N 2.96Å; I1021-L1025 HydrophobicContact CG2-CD1 4.45Å; I1021-L1025 PolarHBondContact O-N 3.32Å
1022	L	46.2	Very low	42.5	Very low	108 Å²	108	109.2 Å²	109.2	57%	0.565	58%	0.579	S	S	*	*	H	α-helix	trans	-63.8	-43.4	175.4	-95.3	137.7	0	0	0	112.6	P1018 S1024 L1025 E1026	P1018-L1022 PolarHBondContact O-N 2.78Å; L1022-S1024 PolarHBondContact O-N 2.96Å; L1022-L1025 PolarHBondContact O-N 2.91Å; L1022-E1026 PolarHBondContact O-N 3.29Å; L1022-E1026 VanDerWaalsContact O-N 3.07Å
1023	I	52.1	Low	42.7	Very low	109 Å²	109	106.5 Å²	106.5	56%	0.559	57%	0.565	S	S	*	*	H	α-helix	trans	-63	-32	176	-65.2	166.1	0	0	0	111.6	A1019 S1027	A1019-I1023 WeakPolarHBondContact O-CG1 3.49Å; A1019-I1023 PolarHBondContact O-N 3.41Å; I1023-S1027 PolarHBondContact O-N 2.94Å
1024	S	39.3	Very low	43.7	Very low	48 Å²	48	106.6 Å²	106.6	34%	0.336	55%	0.552	S	S	.	*	H	α-helix	trans	-70.5	-38.1	177.5	-56.2	0	0	0	0	111.8	Q1020 I1021 L1022 S1027 E1028	Q1020-S1024 PolarHBondContact O-N 2.96Å; Q1020-S1024 PolarHBondContact O-OG 3.44Å; I1021-S1024 WeakPolarHBondContact O-CB 3.5Å; I1021-S1024 PolarHBondContact O-N 2.96Å; L1022-S1024 PolarHBondContact O-N 2.96Å; S1024-S1027 PolarHBondContact O-N 3.09Å; S1024-S1027 PolarHBondContact O-OG 2.73Å; S1024-E1028 PolarHBondContact O-N 2.84Å
1025	L	43.3	Very low	44.9	Very low	93 Å²	93	104.4 Å²	104.4	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-68.8	-40.4	176.4	-73.3	163.3	0	0	0	112.1	I1021 L1022 S1027 E1028 E1029	I1021-L1025 HydrophobicContact CG2-CD1 4.45Å; I1021-L1025 PolarHBondContact O-N 3.32Å; L1022-L1025 PolarHBondContact O-N 2.91Å; L1025-S1027 PolarHBondContact O-N 3.48Å; L1025-E1028 PolarHBondContact O-N 2.95Å; L1025-E1029 PolarHBondContact O-N 2.9Å
1026	E	44.3	Very low	45.7	Very low	125 Å²	125	102.6 Å²	102.6	58%	0.584	52%	0.519	S	S	*	.	H	α-helix	trans	-62.7	-27.8	174.7	-74.9	177.1	168	0	0	112.6	L1022 R1030	L1022-E1026 PolarHBondContact O-N 3.29Å; L1022-E1026 VanDerWaalsContact O-N 3.07Å; E1026-R1030 PolarHBondContact O-N 2.9Å
1027	S	47	Very low	46.2	Very low	75 Å²	75	98.8 Å²	98.8	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-76.4	-31.3	177.3	77.7	0	0	0	0	113.8	I1023 S1024 L1025 G1031	I1023-S1027 PolarHBondContact O-N 2.94Å; S1024-S1027 PolarHBondContact O-N 3.09Å; S1024-S1027 PolarHBondContact O-OG 2.73Å; L1025-S1027 PolarHBondContact O-N 3.48Å; S1027-G1031 PolarHBondContact O-N 3.39Å
1028	E	43	Very low	47.2	Very low	142 Å²	142	98.6 Å²	98.6	66%	0.664	51%	0.513	S	S	*	.	H	α-helix	trans	-72.3	-40	175.2	-78.9	-179.6	154.5	0	0	111.2	S1024 L1025 R1030 G1031 E1032	S1024-E1028 PolarHBondContact O-N 2.84Å; L1025-E1028 PolarHBondContact O-N 2.95Å; E1028-R1030 VanDerWaalsContact C-N 3.29Å; E1028-R1030 PolarHBondContact O-N 3.35Å; E1028-G1031 PolarHBondContact O-N 3.01Å; E1028-E1032 PolarHBondContact O-N 3.17Å
1029	E	46	Very low	48.1	Very low	127 Å²	127	99.6 Å²	99.6	59%	0.593	51%	0.514	S	S	*	.	H	α-helix	trans	-64.3	-33.5	176.6	-70	-179.1	166.2	0	0	112.3	L1025 E1032 L1033	L1025-E1029 PolarHBondContact O-N 2.9Å; E1029-E1032 PolarHBondContact O-N 3.16Å; E1029-L1033 PolarHBondContact O-N 3.41Å; E1029-L1033 VanDerWaalsContact O-N 3.09Å
1030	R	45.7	Very low	48.7	Very low	171 Å²	171	101.2 Å²	101.2	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-65.6	-39.7	175.9	-171.9	175.4	178.4	155.8	2.6	112.8	E1026 E1028 E1032 L1033 E1034	E1026-R1030 PolarHBondContact O-N 2.9Å; E1028-R1030 VanDerWaalsContact C-N 3.29Å; E1028-R1030 PolarHBondContact O-N 3.35Å; R1030-E1032 VanDerWaalsContact C-N 3.27Å; R1030-E1032 PolarHBondContact O-N 3.03Å; R1030-L1033 PolarHBondContact O-N 3.24Å; R1030-E1034 IonicContact NE-OE1 3.68Å; R1030-E1034 WeakPolarHBondContact O-CG 3.38Å; R1030-E1034 PolarHBondContact O-N 2.99Å
1031	G	52.2	Low	49.6	Very low	33 Å²	33	101.7 Å²	101.7	34%	0.34	52%	0.516	S	S	.	.	H	α-helix	trans	-70.1	-23.5	177.5	0	0	0	0	0	113.7	S1027 E1028 R1035	S1027-G1031 PolarHBondContact O-N 3.39Å; E1028-G1031 PolarHBondContact O-N 3.01Å; G1031-R1035 PolarHBondContact O-N 3.21Å
1032	E	45.4	Very low	50.1	Low	100 Å²	100	103.2 Å²	103.2	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-80.8	-38.2	174.8	-163.8	148.1	-111.8	0	0	112.1	E1028 E1029 R1030 R1035 I1036	E1028-E1032 PolarHBondContact O-N 3.17Å; E1029-E1032 PolarHBondContact O-N 3.16Å; R1030-E1032 VanDerWaalsContact C-N 3.27Å; R1030-E1032 PolarHBondContact O-N 3.03Å; E1032-R1035 PolarHBondContact O-N 2.94Å; E1032-R1035 IonicContact OE1-CZ 2.74Å; E1032-R1035 IonicContact OE1-NH1 3.37Å; E1032-R1035 IonicContact OE1-NH2 3.29Å; E1032-R1035 PolarHBondContact OE1-NH2 3.28Å; E1032-R1035 VanDerWaalsContact OE1-NH2 3.13Å; E1032-I1036 HydrophobicContact CG-CD1 4.46Å; E1032-I1036 WeakPolarHBondContact O-CG1 3.46Å; E1032-I1036 PolarHBondContact O-N 3.38Å
1033	L	44.1	Very low	50.5	Low	121 Å²	121	103.8 Å²	103.8	63%	0.634	52%	0.521	S	S	*	.	H	α-helix	trans	-61.6	-41.1	170.4	-93.7	149.1	0	0	0	112.7	E1029 R1030 R1035 I1036 L1037	E1029-L1033 PolarHBondContact O-N 3.41Å; E1029-L1033 VanDerWaalsContact O-N 3.09Å; R1030-L1033 PolarHBondContact O-N 3.24Å; L1033-R1035 VanDerWaalsContact C-N 3.33Å; L1033-R1035 PolarHBondContact O-N 2.69Å; L1033-I1036 PolarHBondContact O-N 3.3Å; L1033-L1037 WeakPolarHBondContact O-CB 3.31Å; L1033-L1037 PolarHBondContact O-N 3.02Å
1034	E	55.1	Low	50.4	Low	117 Å²	117	103.7 Å²	103.7	55%	0.547	52%	0.522	S	S	.	.	H	α-helix	trans	-66.8	-32.4	176.7	-74.4	174.1	-174.3	0	0	112.3	R1030 A1038	R1030-E1034 IonicContact NE-OE1 3.68Å; R1030-E1034 WeakPolarHBondContact O-CG 3.38Å; R1030-E1034 PolarHBondContact O-N 2.99Å; E1034-A1038 PolarHBondContact O-N 2.78Å
1035	R	57.2	Low	51.9	Low	140 Å²	140	107.9 Å²	107.9	53%	0.528	53%	0.53	S	S	.	.	H	α-helix	trans	-68.1	-47.7	172	-102.4	-174	-64.4	126.4	0.5	112.6	G1031 E1032 L1033 L1037 A1038 D1039	G1031-R1035 PolarHBondContact O-N 3.21Å; E1032-R1035 PolarHBondContact O-N 2.94Å; E1032-R1035 IonicContact OE1-CZ 2.74Å; E1032-R1035 IonicContact OE1-NH1 3.37Å; E1032-R1035 IonicContact OE1-NH2 3.29Å; E1032-R1035 PolarHBondContact OE1-NH2 3.28Å; E1032-R1035 VanDerWaalsContact OE1-NH2 3.13Å; L1033-R1035 VanDerWaalsContact C-N 3.33Å; L1033-R1035 PolarHBondContact O-N 2.69Å; R1035-L1037 VanDerWaalsContact C-N 3.27Å; R1035-L1037 PolarHBondContact O-N 3.4Å; R1035-A1038 WeakPolarHBondContact O-CB 3.4Å; R1035-A1038 PolarHBondContact O-N 3.46Å; R1035-A1038 VanDerWaalsContact O-N 3.15Å; R1035-D1039 PolarHBondContact O-N 2.78Å
1036	I	53.7	Low	52.7	Low	91 Å²	91	108.1 Å²	108.1	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-63.1	-37.4	179.5	-67.7	166.7	0	0	0	110.7	E1032 L1033 D1039 L1040	E1032-I1036 HydrophobicContact CG-CD1 4.46Å; E1032-I1036 WeakPolarHBondContact O-CG1 3.46Å; E1032-I1036 PolarHBondContact O-N 3.38Å; L1033-I1036 PolarHBondContact O-N 3.3Å; I1036-D1039 PolarHBondContact O-N 3.24Å; I1036-L1040 HydrophobicContact CG2-CD1 3.9Å; I1036-L1040 HydrophobicContact CG2-CG 4.38Å; I1036-L1040 WeakPolarHBondContact O-CB 3.39Å; I1036-L1040 VanDerWaalsContact O-CG 3.26Å; I1036-L1040 WeakPolarHBondContact O-CG 3.27Å; I1036-L1040 PolarHBondContact O-N 3.08Å
1037	L	47.6	Very low	53.1	Low	107 Å²	107	107.4 Å²	107.4	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-41.7	175.2	-153.1	86.3	0	0	0	111.5	L1033 R1035 L1040 E1041	L1033-L1037 WeakPolarHBondContact O-CB 3.31Å; L1033-L1037 PolarHBondContact O-N 3.02Å; R1035-L1037 VanDerWaalsContact C-N 3.27Å; R1035-L1037 PolarHBondContact O-N 3.4Å; L1037-L1040 PolarHBondContact O-N 3.44Å; L1037-E1041 WeakPolarHBondContact O-CB 3.5Å; L1037-E1041 VanDerWaalsContact O-CG 3.32Å; L1037-E1041 WeakPolarHBondContact O-CG 3.28Å; L1037-E1041 PolarHBondContact O-N 3.19Å
1038	A	61	Low	53.7	Low	48 Å²	48	108.7 Å²	108.7	40%	0.397	53%	0.529	S	S	.	.	H	α-helix	trans	-65.9	-40.3	177	0	0	0	0	0	112.7	E1034 R1035 E1041 E1042	E1034-A1038 PolarHBondContact O-N 2.78Å; R1035-A1038 WeakPolarHBondContact O-CB 3.4Å; R1035-A1038 PolarHBondContact O-N 3.46Å; R1035-A1038 VanDerWaalsContact O-N 3.15Å; A1038-E1041 PolarHBondContact O-N 3.34Å; A1038-E1042 PolarHBondContact O-N 2.75Å
1039	D	56	Low	54.7	Low	106 Å²	106	104.7 Å²	104.7	57%	0.567	52%	0.521	S	S	*	.	H	α-helix	trans	-66.3	-41.1	176.2	-71.3	-18.6	0	0	0	111.5	R1035 I1036 E1042 E1043	R1035-D1039 PolarHBondContact O-N 2.78Å; I1036-D1039 PolarHBondContact O-N 3.24Å; D1039-E1042 WeakPolarHBondContact O-CB 3.33Å; D1039-E1042 PolarHBondContact O-N 3.4Å; D1039-E1043 PolarHBondContact O-N 3.05Å
1040	L	50.7	Low	55.2	Low	96 Å²	96	104.2 Å²	104.2	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-67	-37.8	175.2	-74.1	171.3	0	0	0	111.9	I1036 L1037 E1042 N1044	I1036-L1040 HydrophobicContact CG2-CD1 3.9Å; I1036-L1040 HydrophobicContact CG2-CG 4.38Å; I1036-L1040 WeakPolarHBondContact O-CB 3.39Å; I1036-L1040 VanDerWaalsContact O-CG 3.26Å; I1036-L1040 WeakPolarHBondContact O-CG 3.27Å; I1036-L1040 PolarHBondContact O-N 3.08Å; L1037-L1040 PolarHBondContact O-N 3.44Å; L1040-E1042 VanDerWaalsContact C-N 3.3Å; L1040-N1044 WeakPolarHBondContact O-CB 3.39Å; L1040-N1044 PolarHBondContact O-N 2.89Å
1041	E	63.1	Low	55.4	Low	108 Å²	108	102.7 Å²	102.7	51%	0.505	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-33.9	172.8	-77.1	-179.1	176.6	0	0	112	L1037 A1038 R1045	L1037-E1041 WeakPolarHBondContact O-CB 3.5Å; L1037-E1041 VanDerWaalsContact O-CG 3.32Å; L1037-E1041 WeakPolarHBondContact O-CG 3.28Å; L1037-E1041 PolarHBondContact O-N 3.19Å; A1038-E1041 PolarHBondContact O-N 3.34Å; E1041-R1045 WeakPolarHBondContact O-CG 3.33Å; E1041-R1045 PolarHBondContact O-N 3.36Å
1042	E	59.6	Low	55.8	Low	103 Å²	103	104.4 Å²	104.4	48%	0.481	52%	0.515	S	S	.	.	H	α-helix	trans	-70	-45.2	174.3	-168	120.5	160.5	0	0	112.5	A1038 D1039 L1040 N1044 R1045 N1046	A1038-E1042 PolarHBondContact O-N 2.75Å; D1039-E1042 WeakPolarHBondContact O-CB 3.33Å; D1039-E1042 PolarHBondContact O-N 3.4Å; L1040-E1042 VanDerWaalsContact C-N 3.3Å; E1042-N1044 VanDerWaalsContact C-N 3.29Å; E1042-N1044 PolarHBondContact O-N 3.2Å; E1042-R1045 WeakPolarHBondContact O-CB 3.07Å; E1042-R1045 PolarHBondContact O-N 3.05Å; E1042-R1045 IonicContact OE2-CZ 3.66Å; E1042-R1045 IonicContact OE2-NH2 3.54Å; E1042-R1045 PolarHBondContact OE2-NH2 2.71Å; E1042-N1046 PolarHBondContact O-N 3.43Å; E1042-N1046 PolarHBondContact O-ND2 3.26Å
1043	E	53.3	Low	56.9	Low	120 Å²	120	108.7 Å²	108.7	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-60.5	-40.4	173.3	-85.9	-169.4	153.9	0	0	111.5	D1039 R1045 N1046 L1047	D1039-E1043 PolarHBondContact O-N 3.05Å; E1043-R1045 VanDerWaalsContact C-N 3.33Å; E1043-R1045 PolarHBondContact O-N 3.36Å; E1043-N1046 PolarHBondContact O-N 2.91Å; E1043-L1047 WeakPolarHBondContact O-CB 3.26Å; E1043-L1047 WeakPolarHBondContact O-CG 3.23Å; E1043-L1047 PolarHBondContact O-N 3.36Å
1044	N	51.1	Low	57.4	Low	107 Å²	107	107.8 Å²	107.8	57%	0.572	52%	0.522	S	S	*	.	H	α-helix	trans	-66	-37.2	177.3	-135.8	-7	0	0	0	111.5	L1040 E1042 Q1048	L1040-N1044 WeakPolarHBondContact O-CB 3.39Å; L1040-N1044 PolarHBondContact O-N 2.89Å; E1042-N1044 VanDerWaalsContact C-N 3.29Å; E1042-N1044 PolarHBondContact O-N 3.2Å; N1044-Q1048 VanDerWaalsContact O-CB 3.26Å; N1044-Q1048 WeakPolarHBondContact O-CB 3.28Å; N1044-Q1048 PolarHBondContact O-N 2.81Å
1045	R	70.8	Confident	57.3	Low	135 Å²	135	107.3 Å²	107.3	51%	0.509	52%	0.518	S	S	.	.	H	α-helix	trans	-62.6	-41.5	171.6	-76	-174.4	-66.3	-104	5.4	112	E1041 E1042 E1043 Q1048 A1049	E1041-R1045 WeakPolarHBondContact O-CG 3.33Å; E1041-R1045 PolarHBondContact O-N 3.36Å; E1042-R1045 WeakPolarHBondContact O-CB 3.07Å; E1042-R1045 PolarHBondContact O-N 3.05Å; E1042-R1045 IonicContact OE2-CZ 3.66Å; E1042-R1045 IonicContact OE2-NH2 3.54Å; E1042-R1045 PolarHBondContact OE2-NH2 2.71Å; E1043-R1045 VanDerWaalsContact C-N 3.33Å; E1043-R1045 PolarHBondContact O-N 3.36Å; R1045-Q1048 PolarHBondContact O-N 3.37Å; R1045-A1049 WeakPolarHBondContact O-CB 3.49Å; R1045-A1049 PolarHBondContact O-N 3.42Å
1046	N	59.7	Low	57.4	Low	99 Å²	99	106.5 Å²	106.5	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-69.4	-43.5	179.3	-72.5	-24.9	0	0	0	112.3	E1042 E1043 Q1048 A1049 E1050	E1042-N1046 PolarHBondContact O-N 3.43Å; E1042-N1046 PolarHBondContact O-ND2 3.26Å; E1043-N1046 PolarHBondContact O-N 2.91Å; N1046-Q1048 VanDerWaalsContact C-N 3.31Å; N1046-Q1048 PolarHBondContact O-N 2.7Å; N1046-A1049 PolarHBondContact O-N 2.83Å; N1046-E1050 WeakPolarHBondContact O-CB 3.47Å; N1046-E1050 PolarHBondContact O-N 3.3Å
1047	L	53.8	Low	57.2	Low	109 Å²	109	108.4 Å²	108.4	57%	0.571	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-38.1	175.1	-73.8	169.6	0	0	0	111.7	E1043 E1050 Y1051	E1043-L1047 WeakPolarHBondContact O-CB 3.26Å; E1043-L1047 WeakPolarHBondContact O-CG 3.23Å; E1043-L1047 PolarHBondContact O-N 3.36Å; L1047-E1050 PolarHBondContact O-N 3.48Å; L1047-Y1051 VanDerWaalsContact O-CB 3.3Å; L1047-Y1051 WeakPolarHBondContact O-CB 3.48Å; L1047-Y1051 PolarHBondContact O-N 3.29Å
1048	Q	59.6	Low	57.3	Low	102 Å²	102	109.3 Å²	109.3	48%	0.477	53%	0.529	S	S	.	.	H	α-helix	trans	-66.5	-41.6	174.7	-164	65.6	41.8	0	0	111.6	N1044 R1045 N1046 E1050 Y1051 D1052	N1044-Q1048 VanDerWaalsContact O-CB 3.26Å; N1044-Q1048 WeakPolarHBondContact O-CB 3.28Å; N1044-Q1048 PolarHBondContact O-N 2.81Å; R1045-Q1048 PolarHBondContact O-N 3.37Å; N1046-Q1048 VanDerWaalsContact C-N 3.31Å; N1046-Q1048 PolarHBondContact O-N 2.7Å; Q1048-E1050 VanDerWaalsContact C-N 3.34Å; Q1048-E1050 PolarHBondContact O-N 3.19Å; Q1048-Y1051 WeakPolarHBondContact O-CB 3.49Å; Q1048-Y1051 PolarHBondContact O-N 2.9Å; Q1048-D1052 PolarHBondContact O-N 3.26Å
1049	A	63.3	Low	56.5	Low	58 Å²	58	113.4 Å²	113.4	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-65.4	-36.5	175.5	0	0	0	0	0	112.5	R1045 N1046 D1052 R1053	R1045-A1049 WeakPolarHBondContact O-CB 3.49Å; R1045-A1049 PolarHBondContact O-N 3.42Å; N1046-A1049 PolarHBondContact O-N 2.83Å; A1049-D1052 PolarHBondContact O-N 2.89Å; A1049-R1053 WeakPolarHBondContact O-CB 3.49Å; A1049-R1053 PolarHBondContact O-N 3.23Å
1050	E	55.3	Low	55.9	Low	118 Å²	118	117 Å²	117	55%	0.551	55%	0.552	S	S	*	*	H	α-helix	trans	-72.4	-38.5	176.2	-169.1	154.9	-163.6	0	0	112	N1046 L1047 Q1048 R1053 L1054	N1046-E1050 WeakPolarHBondContact O-CB 3.47Å; N1046-E1050 PolarHBondContact O-N 3.3Å; L1047-E1050 PolarHBondContact O-N 3.48Å; Q1048-E1050 VanDerWaalsContact C-N 3.34Å; Q1048-E1050 PolarHBondContact O-N 3.19Å; E1050-R1053 WeakPolarHBondContact O-CB 3.38Å; E1050-R1053 PolarHBondContact O-N 3.14Å; E1050-L1054 HydrophobicContact CG-CD1 4.34Å; E1050-L1054 WeakPolarHBondContact O-CB 3.33Å; E1050-L1054 VanDerWaalsContact O-CG 3.3Å; E1050-L1054 WeakPolarHBondContact O-CG 3.41Å; E1050-L1054 PolarHBondContact O-N 2.86Å
1051	Y	51.2	Low	55.7	Low	138 Å²	138	120.5 Å²	120.5	54%	0.541	56%	0.564	S	S	.	*	H	α-helix	trans	-58.4	-45.6	169.3	178.8	-94.5	0	0	0	111.6	L1047 Q1048 R1053 L1054 K1055	L1047-Y1051 VanDerWaalsContact O-CB 3.3Å; L1047-Y1051 WeakPolarHBondContact O-CB 3.48Å; L1047-Y1051 PolarHBondContact O-N 3.29Å; Q1048-Y1051 WeakPolarHBondContact O-CB 3.49Å; Q1048-Y1051 PolarHBondContact O-N 2.9Å; Y1051-R1053 VanDerWaalsContact C-N 3.35Å; Y1051-R1053 PolarHBondContact O-N 3.02Å; Y1051-L1054 PolarHBondContact O-N 3.27Å; Y1051-K1055 HydrophobicContact CE1-CD 4.39Å; Y1051-K1055 VanDerWaalsContact O-CB 3.3Å; Y1051-K1055 WeakPolarHBondContact O-CB 3.35Å; Y1051-K1055 PolarHBondContact O-N 3.38Å
1052	D	60	Low	54.4	Low	70 Å²	70	118.6 Å²	118.6	37%	0.374	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-34.9	177.5	-72.3	-26.1	0	0	0	112.1	Q1048 A1049 K1055 Q1056	Q1048-D1052 PolarHBondContact O-N 3.26Å; A1049-D1052 PolarHBondContact O-N 2.89Å; D1052-K1055 PolarHBondContact O-N 3.43Å; D1052-Q1056 WeakPolarHBondContact O-CB 3.16Å; D1052-Q1056 WeakPolarHBondContact O-CG 3.24Å; D1052-Q1056 PolarHBondContact O-N 3.46Å
1053	R	67.9	Low	53.5	Low	190 Å²	190	119.8 Å²	119.8	72%	0.717	58%	0.582	S	S	*	*	H	α-helix	trans	-64.4	-44.1	172.9	-133.2	-175.5	-157.7	179.2	7.5	112.1	A1049 E1050 Y1051 K1055 Q1056 Q1057	A1049-R1053 WeakPolarHBondContact O-CB 3.49Å; A1049-R1053 PolarHBondContact O-N 3.23Å; E1050-R1053 WeakPolarHBondContact O-CB 3.38Å; E1050-R1053 PolarHBondContact O-N 3.14Å; Y1051-R1053 VanDerWaalsContact C-N 3.35Å; Y1051-R1053 PolarHBondContact O-N 3.02Å; R1053-K1055 VanDerWaalsContact C-N 3.35Å; R1053-Q1056 PolarHBondContact O-N 2.79Å; R1053-Q1057 PolarHBondContact O-N 3.25Å
1054	L	55.5	Low	52.6	Low	101 Å²	101	119.4 Å²	119.4	53%	0.529	59%	0.593	S	S	.	*	H	α-helix	trans	-66.8	-37.8	177.1	-75.2	166.7	0	0	0	111.2	E1050 Y1051 Q1057 H1058	E1050-L1054 HydrophobicContact CG-CD1 4.34Å; E1050-L1054 WeakPolarHBondContact O-CB 3.33Å; E1050-L1054 VanDerWaalsContact O-CG 3.3Å; E1050-L1054 WeakPolarHBondContact O-CG 3.41Å; E1050-L1054 PolarHBondContact O-N 2.86Å; Y1051-L1054 PolarHBondContact O-N 3.27Å; L1054-Q1057 PolarHBondContact O-N 2.93Å; L1054-H1058 PolarHBondContact O-N 3.33Å; L1054-H1058 VanDerWaalsContact O-N 3.08Å
1055	K	53.8	Low	51.9	Low	107 Å²	107	120 Å²	120	47%	0.465	60%	0.602	S	S	.	*	H	α-helix	trans	-64.4	-44.3	173.6	-172.2	178.4	176.5	-174.9	0	111.9	Y1051 D1052 R1053 H1058 E1059	Y1051-K1055 HydrophobicContact CE1-CD 4.39Å; Y1051-K1055 VanDerWaalsContact O-CB 3.3Å; Y1051-K1055 WeakPolarHBondContact O-CB 3.35Å; Y1051-K1055 PolarHBondContact O-N 3.38Å; D1052-K1055 PolarHBondContact O-N 3.43Å; R1053-K1055 VanDerWaalsContact C-N 3.35Å; K1055-H1058 WeakPolarHBondContact O-CA 3.49Å; K1055-H1058 VanDerWaalsContact O-CB 3.31Å; K1055-H1058 WeakPolarHBondContact O-CB 3.48Å; K1055-H1058 PolarHBondContact O-N 2.85Å; K1055-H1058 VanDerWaalsContact O-N 3.1Å; K1055-E1059 PolarHBondContact O-N 3.15Å
1056	Q	57.6	Low	50	Low	124 Å²	124	121.8 Å²	121.8	58%	0.579	62%	0.621	S	S	*	*	H	α-helix	trans	-65.3	-37	175.1	-76	179	3.8	0	0	112.8	D1052 R1053 H1058 E1059 H1060	D1052-Q1056 WeakPolarHBondContact O-CB 3.16Å; D1052-Q1056 WeakPolarHBondContact O-CG 3.24Å; D1052-Q1056 PolarHBondContact O-N 3.46Å; R1053-Q1056 PolarHBondContact O-N 2.79Å; Q1056-H1058 PolarHBondContact O-N 3.32Å; Q1056-E1059 PolarHBondContact O-N 3.39Å; Q1056-H1060 PolarHBondContact O-N 3.29Å
1057	Q	50.7	Low	48.7	Very low	130 Å²	130	122.5 Å²	122.5	61%	0.607	63%	0.631	S	S	*	*	H	α-helix	trans	-62.9	-30.4	171.2	-85.2	-172.3	-9.9	0	0	112.7	R1053 L1054	R1053-Q1057 PolarHBondContact O-N 3.25Å; L1054-Q1057 PolarHBondContact O-N 2.93Å
1058	H	50.1	Low	47.7	Very low	127 Å²	127	122.8 Å²	122.8	59%	0.588	64%	0.642	S	S	*	*	H	α-helix	trans	-74.1	-35.3	175.9	-136.6	-59.3	0	0	0	112.3	L1054 K1055 Q1056	L1054-H1058 PolarHBondContact O-N 3.33Å; L1054-H1058 VanDerWaalsContact O-N 3.08Å; K1055-H1058 WeakPolarHBondContact O-CA 3.49Å; K1055-H1058 VanDerWaalsContact O-CB 3.31Å; K1055-H1058 WeakPolarHBondContact O-CB 3.48Å; K1055-H1058 PolarHBondContact O-N 2.85Å; K1055-H1058 VanDerWaalsContact O-N 3.1Å; Q1056-H1058 PolarHBondContact O-N 3.32Å
1059	E	43.1	Very low	46.5	Very low	133 Å²	133	123.8 Å²	123.8	62%	0.621	66%	0.657	S	S	*	*	H	α-helix	trans	-74.5	-34.6	175.4	-72.2	177.5	172	0	0	112.7	K1055 Q1056 K1061 G1062	K1055-E1059 PolarHBondContact O-N 3.15Å; Q1056-E1059 PolarHBondContact O-N 3.39Å; E1059-K1061 VanDerWaalsContact C-N 3.27Å; E1059-K1061 PolarHBondContact O-N 3.45Å; E1059-G1062 PolarHBondContact O-N 2.86Å
1060	H	43.7	Very low	45	Very low	181 Å²	181	127.1 Å²	127.1	84%	0.838	67%	0.674	S	S	*	*	H	α-helix	trans	-70.4	-16.5	177.2	-107	46.8	0	0	0	114.7	Q1056 G1062	Q1056-H1060 PolarHBondContact O-N 3.29Å; H1060-G1062 VanDerWaalsContact C-N 3.27Å; H1060-G1062 PolarHBondContact O-N 3.03Å
1061	K	45.7	Very low	43.8	Very low	171 Å²	171	130.8 Å²	130.8	74%	0.743	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	5.7	175.3	-79.8	-178	177.4	177.4	0	114.1	E1059 L1063	E1059-K1061 VanDerWaalsContact C-N 3.27Å; E1059-K1061 PolarHBondContact O-N 3.45Å; K1061-L1063 PolarHBondContact O-N 3.06Å
1062	G	36	Very low	42.8	Very low	67 Å²	67	132.1 Å²	132.1	69%	0.691	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.3	24.8	172	0	0	0	0	0	114.7	E1059 H1060	E1059-G1062 PolarHBondContact O-N 2.86Å; H1060-G1062 VanDerWaalsContact C-N 3.27Å; H1060-G1062 PolarHBondContact O-N 3.03Å
1063	L	40.5	Very low	41.3	Very low	128 Å²	128	136.3 Å²	136.3	67%	0.67	72%	0.724	S	S	*	*			trans	-93.5	105.4	170.9	-69.7	170.5	0	0	0	108.4	K1061	K1061-L1063 PolarHBondContact O-N 3.06Å
1064	S	34.8	Very low	40.3	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-62.8	158.4	176.2	-95.4	0	0	0	0	112.8
1065	P	38	Very low	39.1	Very low	118 Å²	118	134.5 Å²	134.5	77%	0.766	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-69	142.1	-174.6	-7.8	24.6	0	0	0	111.3
1066	L	30.4	Very low	38.3	Very low	173 Å²	173	134.7 Å²	134.7	91%	0.906	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-51.9	126.5	172.4	-89.6	133	0	0	0	111.4
1067	P	32.6	Very low	37.4	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-80.5	156	165	31.3	-27.3	0	0	0	111
1068	S	31.4	Very low	37.2	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.7	163.1	169.3	-46	0	0	0	0	112
1069	P	36	Very low	36.8	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-80.7	149.4	-148.1	33.2	-34.6	0	0	0	114
1070	P	30.7	Very low	37	Very low	128 Å²	128	131.8 Å²	131.8	83%	0.831	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-92	147.5	158.4	10.4	8.5	0	0	0	112
1071	E	30.2	Very low	37	Very low	196 Å²	196	132.3 Å²	132.3	92%	0.916	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.8	167.4	172.1	-68.1	173.6	141.5	0	0	113.8
1072	M	30.8	Very low	36.8	Very low	166 Å²	166	128 Å²	128	82%	0.818	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-57	162.6	-161.7	-56.8	-167.9	-56.1	0	0	119.6
1073	M	28.3	Very low	37.1	Very low	158 Å²	158	127.7 Å²	127.7	78%	0.778	74%	0.737	S	S	*	*			trans	107.9	152.4	146.8	-58.3	-62.9	-92.3	0	0	116.5
1074	P	46	Very low	37.4	Very low	104 Å²	104	128.4 Å²	128.4	68%	0.675	74%	0.737	S	S	*	*				-134.6	131.9	-73.3	32.9	-13.3	0	0	0	111.9
1075	T	31.7	Very low	38	Very low	148 Å²	148	127.5 Å²	127.5	91%	0.908	72%	0.723	S	S	*	*			trans	-138.5	128.4	164.3	44.6	0	0	0	0	111.4
1076	S	35.8	Very low	38.8	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-47.8	145.8	-175.6	-166.4	0	0	0	0	114.1	Q1078	S1076-Q1078 PolarHBondContact O-N 3.37Å
1077	P	39.7	Very low	39.7	Very low	106 Å²	106	121 Å²	121	69%	0.688	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-75	127.8	-176.6	24.1	-21.8	0	0	0	111.2
1078	Q	45	Very low	40.4	Very low	179 Å²	179	120.8 Å²	120.8	84%	0.836	68%	0.678	S	S	*	*	S	Bend	trans	-84.2	123.4	156.1	-70.9	-175.6	-19.7	0	0	107	S1076	S1076-Q1078 PolarHBondContact O-N 3.37Å
1079	S	43.3	Very low	41	Very low	53 Å²	53	116.9 Å²	116.9	37%	0.371	65%	0.652	S	S	.	*			trans	76.1	126.5	175.1	137.3	0	0	0	0	117.7	R1081 D1082	S1079-R1081 PolarHBondContact O-N 3.23Å; S1079-R1081 WeakPolarHBondContact OG-CB 3.29Å; S1079-R1081 PolarHBondContact OG-N 3.44Å; S1079-D1082 WeakPolarHBondContact CB-OD2 3.35Å; S1079-D1082 PolarHBondContact O-N 2.91Å; S1079-D1082 PolarHBondContact OG-N 2.88Å; S1079-D1082 PolarHBondContact OG-OD2 3.27Å
1080	P	46.3	Very low	41.4	Very low	115 Å²	115	118 Å²	118	75%	0.747	65%	0.645	S	S	*	*	H	α-helix	trans	-62	-20.7	171.9	-20.5	32.4	0	0	0	113.9
1081	R	43.6	Very low	42.3	Very low	192 Å²	192	117.3 Å²	117.3	73%	0.725	63%	0.633	S	S	*	*	H	α-helix	trans	-73.4	-29.7	-176.1	-149.1	171.8	-173.7	174.2	0.4	112	S1079 L1085	S1079-R1081 PolarHBondContact O-N 3.23Å; S1079-R1081 WeakPolarHBondContact OG-CB 3.29Å; S1079-R1081 PolarHBondContact OG-N 3.44Å; R1081-L1085 WeakPolarHBondContact O-CD1 3.44Å; R1081-L1085 WeakPolarHBondContact O-CG 3.49Å; R1081-L1085 PolarHBondContact O-N 2.75Å
1082	D	41.3	Very low	43	Very low	80 Å²	80	113.3 Å²	113.3	43%	0.428	62%	0.617	S	S	.	*	H	α-helix	trans	-78.1	-28.1	179.3	-63.4	-56.7	0	0	0	112.1	S1079 I1086	S1079-D1082 WeakPolarHBondContact CB-OD2 3.35Å; S1079-D1082 PolarHBondContact O-N 2.91Å; S1079-D1082 PolarHBondContact OG-N 2.88Å; S1079-D1082 PolarHBondContact OG-OD2 3.27Å; D1082-I1086 WeakPolarHBondContact O-CB 3.42Å; D1082-I1086 VanDerWaalsContact O-CD1 3.31Å; D1082-I1086 WeakPolarHBondContact O-CD1 3.34Å; D1082-I1086 WeakPolarHBondContact O-CG1 3.22Å; D1082-I1086 PolarHBondContact O-N 3.29Å; D1082-I1086 VanDerWaalsContact O-N 3.09Å
1083	A	42.9	Very low	43.9	Very low	61 Å²	61	113.6 Å²	113.6	50%	0.504	61%	0.609	S	S	.	*	H	α-helix	trans	-70.6	-38.9	174.6	0	0	0	0	0	112.3	A1087	A1083-A1087 WeakPolarHBondContact O-CB 3.39Å; A1083-A1087 PolarHBondContact O-N 2.92Å
1084	E	46.2	Very low	44.5	Very low	142 Å²	142	111 Å²	111	66%	0.664	60%	0.596	S	S	*	*	H	α-helix	trans	-68.8	-43.1	174.4	-81.8	-179.4	158.2	0	0	112.1	I1086 A1087 E1088	E1084-I1086 VanDerWaalsContact C-N 3.3Å; E1084-I1086 PolarHBondContact O-N 3.35Å; E1084-A1087 PolarHBondContact O-N 3.14Å; E1084-A1087 VanDerWaalsContact O-N 3.13Å; E1084-E1088 WeakPolarHBondContact O-CB 3.34Å; E1084-E1088 PolarHBondContact O-N 3.14Å
1085	L	47.2	Very low	44.4	Very low	94 Å²	94	111.4 Å²	111.4	49%	0.492	59%	0.588	S	S	.	*	H	α-helix	trans	-63.2	-35.6	176.7	-76	167.3	0	0	0	112.4	R1081 A1089	R1081-L1085 WeakPolarHBondContact O-CD1 3.44Å; R1081-L1085 WeakPolarHBondContact O-CG 3.49Å; R1081-L1085 PolarHBondContact O-N 2.75Å; L1085-A1089 WeakPolarHBondContact O-CB 3.36Å; L1085-A1089 PolarHBondContact O-N 3.35Å
1086	I	55.3	Low	45.2	Very low	103 Å²	103	110.2 Å²	110.2	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-71.6	-35.6	174.8	-68.6	166.9	0	0	0	111.3	D1082 E1084 K1090	D1082-I1086 WeakPolarHBondContact O-CB 3.42Å; D1082-I1086 VanDerWaalsContact O-CD1 3.31Å; D1082-I1086 WeakPolarHBondContact O-CD1 3.34Å; D1082-I1086 WeakPolarHBondContact O-CG1 3.22Å; D1082-I1086 PolarHBondContact O-N 3.29Å; D1082-I1086 VanDerWaalsContact O-N 3.09Å; E1084-I1086 VanDerWaalsContact C-N 3.3Å; E1084-I1086 PolarHBondContact O-N 3.35Å; I1086-K1090 WeakPolarHBondContact O-CB 3.45Å; I1086-K1090 WeakPolarHBondContact O-CG 3.44Å; I1086-K1090 PolarHBondContact O-N 3.02Å
1087	A	50.4	Low	45.3	Very low	51 Å²	51	106.6 Å²	106.6	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-69.6	-41.2	175.4	0	0	0	0	0	112	A1083 E1084 K1090 L1091	A1083-A1087 WeakPolarHBondContact O-CB 3.39Å; A1083-A1087 PolarHBondContact O-N 2.92Å; E1084-A1087 PolarHBondContact O-N 3.14Å; E1084-A1087 VanDerWaalsContact O-N 3.13Å; A1087-K1090 WeakPolarHBondContact O-CB 3.23Å; A1087-K1090 PolarHBondContact O-N 3.46Å; A1087-L1091 PolarHBondContact O-N 3.48Å
1088	E	45.4	Very low	45.5	Very low	112 Å²	112	108.1 Å²	108.1	52%	0.523	54%	0.543	S	S	.	.	H	α-helix	trans	-68	-43.1	176	-169.8	175.4	-166.2	0	0	111.3	E1084 K1090 L1091 L1092	E1084-E1088 WeakPolarHBondContact O-CB 3.34Å; E1084-E1088 PolarHBondContact O-N 3.14Å; E1088-K1090 PolarHBondContact O-N 3.08Å; E1088-L1091 PolarHBondContact O-N 3.04Å; E1088-L1092 HydrophobicContact CG-CD1 4.2Å; E1088-L1092 WeakPolarHBondContact O-CB 3.39Å; E1088-L1092 WeakPolarHBondContact O-CG 3.2Å; E1088-L1092 PolarHBondContact O-N 3.06Å
1089	A	44.5	Very low	45.4	Very low	31 Å²	31	104.7 Å²	104.7	26%	0.256	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-23.7	173.8	0	0	0	0	0	113.1	L1085 R1093	L1085-A1089 WeakPolarHBondContact O-CB 3.36Å; L1085-A1089 PolarHBondContact O-N 3.35Å; A1089-R1093 WeakPolarHBondContact O-CB 3.38Å; A1089-R1093 VanDerWaalsContact O-CG 3.24Å; A1089-R1093 WeakPolarHBondContact O-CG 3.46Å; A1089-R1093 PolarHBondContact O-N 3.23Å; A1089-R1093 PolarHBondContact O-NE 2.98Å
1090	K	45.1	Very low	45.6	Very low	148 Å²	148	106.8 Å²	106.8	64%	0.643	53%	0.534	S	S	*	.	H	α-helix	trans	-76	-43.4	170.1	-87.3	-179.4	176.8	179.8	0	111.5	I1086 A1087 E1088 R1093 Q1094	I1086-K1090 WeakPolarHBondContact O-CB 3.45Å; I1086-K1090 WeakPolarHBondContact O-CG 3.44Å; I1086-K1090 PolarHBondContact O-N 3.02Å; A1087-K1090 WeakPolarHBondContact O-CB 3.23Å; A1087-K1090 PolarHBondContact O-N 3.46Å; E1088-K1090 PolarHBondContact O-N 3.08Å; K1090-R1093 PolarHBondContact O-N 3.24Å; K1090-Q1094 WeakPolarHBondContact O-CB 3.08Å; K1090-Q1094 PolarHBondContact O-N 3.4Å
1091	L	49.9	Very low	45.3	Very low	113 Å²	113	103.8 Å²	103.8	59%	0.592	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-44.8	176.1	-89.7	157.7	0	0	0	112	A1087 E1088 R1093 Q1094 H1095	A1087-L1091 PolarHBondContact O-N 3.48Å; E1088-L1091 PolarHBondContact O-N 3.04Å; L1091-R1093 VanDerWaalsContact C-N 3.35Å; L1091-R1093 PolarHBondContact O-N 3.32Å; L1091-Q1094 PolarHBondContact O-N 3Å; L1091-H1095 WeakPolarHBondContact O-CB 3.37Å; L1091-H1095 PolarHBondContact O-N 3.31Å
1092	L	43.4	Very low	45.1	Very low	111 Å²	111	103.3 Å²	103.3	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-36.9	176.7	-71.9	170	0	0	0	112.2	E1088 H1095 K1096	E1088-L1092 HydrophobicContact CG-CD1 4.2Å; E1088-L1092 WeakPolarHBondContact O-CB 3.39Å; E1088-L1092 WeakPolarHBondContact O-CG 3.2Å; E1088-L1092 PolarHBondContact O-N 3.06Å; L1092-H1095 PolarHBondContact O-N 2.97Å; L1092-K1096 VanDerWaalsContact O-CB 3.29Å; L1092-K1096 WeakPolarHBondContact O-CB 3.39Å; L1092-K1096 PolarHBondContact O-N 3.49Å
1093	R	50.1	Low	45.1	Very low	172 Å²	172	104.8 Å²	104.8	65%	0.649	52%	0.522	S	S	*	.	H	α-helix	trans	-67.6	-37.1	173	-81.7	-177.2	-100	-150.7	-4.3	112.4	A1089 K1090 L1091 G1097	A1089-R1093 WeakPolarHBondContact O-CB 3.38Å; A1089-R1093 VanDerWaalsContact O-CG 3.24Å; A1089-R1093 WeakPolarHBondContact O-CG 3.46Å; A1089-R1093 PolarHBondContact O-N 3.23Å; A1089-R1093 PolarHBondContact O-NE 2.98Å; K1090-R1093 PolarHBondContact O-N 3.24Å; L1091-R1093 VanDerWaalsContact C-N 3.35Å; L1091-R1093 PolarHBondContact O-N 3.32Å; R1093-G1097 PolarHBondContact O-N 3.16Å
1094	Q	42.3	Very low	45.1	Very low	105 Å²	105	106.1 Å²	106.1	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-68.6	-37.1	174.4	-161.4	-176.3	20.9	0	0	111.6	K1090 L1091 R1098	K1090-Q1094 WeakPolarHBondContact O-CB 3.08Å; K1090-Q1094 PolarHBondContact O-N 3.4Å; L1091-Q1094 PolarHBondContact O-N 3Å; Q1094-R1098 VanDerWaalsContact NE2-NH2 3.17Å; Q1094-R1098 WeakPolarHBondContact O-CG 3.21Å; Q1094-R1098 PolarHBondContact O-N 3.1Å; Q1094-R1098 VanDerWaalsContact O-N 3.07Å
1095	H	42.7	Very low	45.2	Very low	112 Å²	112	104.4 Å²	104.4	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-70.3	-39.1	176.7	-142.5	-57.5	0	0	0	111.9	L1091 L1092 R1098 L1099	L1091-H1095 WeakPolarHBondContact O-CB 3.37Å; L1091-H1095 PolarHBondContact O-N 3.31Å; L1092-H1095 PolarHBondContact O-N 2.97Å; H1095-R1098 PolarHBondContact O-N 3.46Å; H1095-L1099 WeakPolarHBondContact O-CB 2.98Å; H1095-L1099 PolarHBondContact O-N 2.96Å
1096	K	48.2	Very low	44.9	Very low	123 Å²	123	105.2 Å²	105.2	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-62.2	-47.7	171.7	-179.7	176.6	170.7	177.6	0	111.5	L1092 R1098 L1099 E1100	L1092-K1096 VanDerWaalsContact O-CB 3.29Å; L1092-K1096 WeakPolarHBondContact O-CB 3.39Å; L1092-K1096 PolarHBondContact O-N 3.49Å; K1096-R1098 VanDerWaalsContact C-N 3.3Å; K1096-R1098 PolarHBondContact O-N 3.27Å; K1096-L1099 PolarHBondContact O-N 3.43Å; K1096-L1099 VanDerWaalsContact O-N 3.1Å; K1096-E1100 WeakPolarHBondContact CE-OE1 3.41Å; K1096-E1100 HydrophobicContact CG-CG 4.32Å; K1096-E1100 IonicContact NZ-OE1 2.75Å; K1096-E1100 WeakPolarHBondContact O-CB 3.48Å; K1096-E1100 WeakPolarHBondContact O-CG 3.44Å; K1096-E1100 PolarHBondContact O-N 2.81Å
1097	G	39.2	Very low	44.4	Very low	36 Å²	36	104.3 Å²	104.3	37%	0.371	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-34.3	176.9	0	0	0	0	0	113.6	R1093 A1101	R1093-G1097 PolarHBondContact O-N 3.16Å; G1097-A1101 VanDerWaalsContact O-CB 3.27Å; G1097-A1101 WeakPolarHBondContact O-CB 3.47Å; G1097-A1101 PolarHBondContact O-N 3.27Å
1098	R	43.8	Very low	44	Very low	137 Å²	137	105.5 Å²	105.5	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-70.4	-36.4	172.5	-71.8	179.2	-154.4	172	7	112.8	Q1094 H1095 K1096 R1102	Q1094-R1098 VanDerWaalsContact NE2-NH2 3.17Å; Q1094-R1098 WeakPolarHBondContact O-CG 3.21Å; Q1094-R1098 PolarHBondContact O-N 3.1Å; Q1094-R1098 VanDerWaalsContact O-N 3.07Å; H1095-R1098 PolarHBondContact O-N 3.46Å; K1096-R1098 VanDerWaalsContact C-N 3.3Å; K1096-R1098 PolarHBondContact O-N 3.27Å; R1098-R1102 WeakPolarHBondContact O-CB 3.37Å; R1098-R1102 WeakPolarHBondContact O-CG 3.46Å; R1098-R1102 PolarHBondContact O-N 3.08Å
1099	L	41.7	Very low	43.8	Very low	108 Å²	108	105.9 Å²	105.9	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-70	-42.8	175.9	-93.1	154	0	0	0	111.6	H1095 K1096 R1102 M1103	H1095-L1099 WeakPolarHBondContact O-CB 2.98Å; H1095-L1099 PolarHBondContact O-N 2.96Å; K1096-L1099 PolarHBondContact O-N 3.43Å; K1096-L1099 VanDerWaalsContact O-N 3.1Å; L1099-R1102 PolarHBondContact O-N 3.2Å; L1099-M1103 WeakPolarHBondContact O-CB 3.38Å; L1099-M1103 PolarHBondContact O-N 3.13Å
1100	E	47.2	Very low	43.5	Very low	97 Å²	97	109.3 Å²	109.3	45%	0.453	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-39.6	175.2	-72	173	159.8	0	0	111.2	K1096 R1102 M1103 Q1104	K1096-E1100 WeakPolarHBondContact CE-OE1 3.41Å; K1096-E1100 HydrophobicContact CG-CG 4.32Å; K1096-E1100 IonicContact NZ-OE1 2.75Å; K1096-E1100 WeakPolarHBondContact O-CB 3.48Å; K1096-E1100 WeakPolarHBondContact O-CG 3.44Å; K1096-E1100 PolarHBondContact O-N 2.81Å; E1100-R1102 PolarHBondContact O-N 2.88Å; E1100-M1103 PolarHBondContact O-N 2.98Å; E1100-Q1104 VanDerWaalsContact O-CB 3.32Å; E1100-Q1104 WeakPolarHBondContact O-CB 3.24Å; E1100-Q1104 PolarHBondContact O-N 2.99Å
1101	A	40	Very low	43.1	Very low	52 Å²	52	108.2 Å²	108.2	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-39.5	172	0	0	0	0	0	112.4	G1097 I1105	G1097-A1101 VanDerWaalsContact O-CB 3.27Å; G1097-A1101 WeakPolarHBondContact O-CB 3.47Å; G1097-A1101 PolarHBondContact O-N 3.27Å; A1101-I1105 WeakPolarHBondContact O-CD1 3.35Å; A1101-I1105 WeakPolarHBondContact O-CG1 3.46Å; A1101-I1105 PolarHBondContact O-N 3.15Å
1102	R	40.9	Very low	42.5	Very low	182 Å²	182	109.8 Å²	109.8	69%	0.687	52%	0.524	S	S	*	.	H	α-helix	trans	-69	-37.2	174.4	-80	179.6	172.9	175.8	-2.8	112.6	R1098 L1099 E1100 I1105 L1106	R1098-R1102 WeakPolarHBondContact O-CB 3.37Å; R1098-R1102 WeakPolarHBondContact O-CG 3.46Å; R1098-R1102 PolarHBondContact O-N 3.08Å; L1099-R1102 PolarHBondContact O-N 3.2Å; E1100-R1102 PolarHBondContact O-N 2.88Å; R1102-I1105 PolarHBondContact O-N 3.12Å; R1102-L1106 WeakPolarHBondContact O-CB 3.41Å; R1102-L1106 WeakPolarHBondContact O-CG 3.31Å; R1102-L1106 PolarHBondContact O-N 3.4Å
1103	M	40.3	Very low	42.3	Very low	110 Å²	110	112.7 Å²	112.7	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-69	-38.4	176.6	-160.3	172.8	81	0	0	111	L1099 E1100 L1106 E1107	L1099-M1103 WeakPolarHBondContact O-CB 3.38Å; L1099-M1103 PolarHBondContact O-N 3.13Å; E1100-M1103 PolarHBondContact O-N 2.98Å; M1103-L1106 CarbonylContact O-C 3.53Å; M1103-L1106 PolarHBondContact O-N 3.24Å; M1103-E1107 WeakPolarHBondContact O-CB 3.34Å; M1103-E1107 WeakPolarHBondContact O-CG 3.3Å; M1103-E1107 PolarHBondContact O-N 2.77Å
1104	Q	42.6	Very low	41.4	Very low	89 Å²	89	112.3 Å²	112.3	42%	0.416	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-40.9	173.9	-168	64.8	44.7	0	0	112	E1100 L1106 E1107 D1108	E1100-Q1104 VanDerWaalsContact O-CB 3.32Å; E1100-Q1104 WeakPolarHBondContact O-CB 3.24Å; E1100-Q1104 PolarHBondContact O-N 2.99Å; Q1104-L1106 VanDerWaalsContact C-N 3.32Å; Q1104-L1106 PolarHBondContact O-N 3.11Å; Q1104-E1107 PolarHBondContact O-N 3.36Å; Q1104-D1108 PolarHBondContact NE2-OD1 3.05Å; Q1104-D1108 VanDerWaalsContact O-CB 3.31Å; Q1104-D1108 WeakPolarHBondContact O-CB 3.31Å; Q1104-D1108 VanDerWaalsContact O-CG 3.29Å; Q1104-D1108 PolarHBondContact O-N 3.38Å
1105	I	48.6	Very low	41	Very low	107 Å²	107	116.9 Å²	116.9	55%	0.549	55%	0.549	S	S	.	.	H	α-helix	trans	-63.9	-39.2	173.8	-68.7	163.9	0	0	0	110.8	A1101 R1102 H1109	A1101-I1105 WeakPolarHBondContact O-CD1 3.35Å; A1101-I1105 WeakPolarHBondContact O-CG1 3.46Å; A1101-I1105 PolarHBondContact O-N 3.15Å; R1102-I1105 PolarHBondContact O-N 3.12Å; I1105-H1109 WeakPolarHBondContact O-CB 3.44Å; I1105-H1109 PolarHBondContact O-N 3.08Å
1106	L	41.6	Very low	40.4	Very low	111 Å²	111	116.8 Å²	116.8	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-69.2	-37.8	175.3	-80.1	162.2	0	0	0	112.6	R1102 M1103 Q1104 N1110	R1102-L1106 WeakPolarHBondContact O-CB 3.41Å; R1102-L1106 WeakPolarHBondContact O-CG 3.31Å; R1102-L1106 PolarHBondContact O-N 3.4Å; M1103-L1106 CarbonylContact O-C 3.53Å; M1103-L1106 PolarHBondContact O-N 3.24Å; Q1104-L1106 VanDerWaalsContact C-N 3.32Å; Q1104-L1106 PolarHBondContact O-N 3.11Å; L1106-N1110 WeakPolarHBondContact O-CB 3.39Å; L1106-N1110 PolarHBondContact O-N 2.99Å
1107	E	44.7	Very low	39.6	Very low	84 Å²	84	122 Å²	122	39%	0.393	58%	0.575	S	S	.	*	H	α-helix	trans	-69.4	-37	173.9	-80.1	-173.9	-179.1	0	0	112.3	M1103 Q1104 N1110 K1111	M1103-E1107 WeakPolarHBondContact O-CB 3.34Å; M1103-E1107 WeakPolarHBondContact O-CG 3.3Å; M1103-E1107 PolarHBondContact O-N 2.77Å; Q1104-E1107 PolarHBondContact O-N 3.36Å; E1107-N1110 CarbonylContact O-C 3.56Å; E1107-N1110 PolarHBondContact O-N 2.9Å; E1107-K1111 WeakPolarHBondContact O-CB 3.34Å; E1107-K1111 WeakPolarHBondContact O-CG 3.32Å; E1107-K1111 PolarHBondContact O-N 3.39Å
1108	D	42.4	Very low	39	Very low	75 Å²	75	130.1 Å²	130.1	40%	0.401	60%	0.6	S	S	.	*	H	α-helix	trans	-71.3	-36.9	175.4	-74.3	-12.9	0	0	0	111	Q1104 K1111 Q1112	Q1104-D1108 PolarHBondContact NE2-OD1 3.05Å; Q1104-D1108 VanDerWaalsContact O-CB 3.31Å; Q1104-D1108 WeakPolarHBondContact O-CB 3.31Å; Q1104-D1108 VanDerWaalsContact O-CG 3.29Å; Q1104-D1108 PolarHBondContact O-N 3.38Å; D1108-K1111 PolarHBondContact O-N 3.32Å; D1108-Q1112 WeakPolarHBondContact O-CG 3.48Å; D1108-Q1112 PolarHBondContact O-N 2.83Å
1109	H	39.8	Very low	38.2	Very low	121 Å²	121	128.5 Å²	128.5	56%	0.56	62%	0.616	S	S	*	*	H	α-helix	trans	-64	-36.3	167.7	-98.7	168	0	0	0	112.6	I1105 K1113	I1105-H1109 WeakPolarHBondContact O-CB 3.44Å; I1105-H1109 PolarHBondContact O-N 3.08Å; H1109-K1113 PolarHBondContact O-N 2.94Å
1110	N	38.4	Very low	37.6	Very low	102 Å²	102	131.2 Å²	131.2	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-75.2	-30	174.8	-95.2	-23	0	0	0	113.2	L1106 E1107 K1113	L1106-N1110 WeakPolarHBondContact O-CB 3.39Å; L1106-N1110 PolarHBondContact O-N 2.99Å; E1107-N1110 CarbonylContact O-C 3.56Å; E1107-N1110 PolarHBondContact O-N 2.9Å; N1110-K1113 PolarHBondContact O-N 3.31Å
1111	K	37.8	Very low	36.8	Very low	126 Å²	126	134 Å²	134	55%	0.548	64%	0.644	S	S	.	*	H	α-helix	trans	-71.5	-36.4	172.4	-81.3	173.4	-177	162.3	0	111.8	E1107 D1108 K1113 K1114	E1107-K1111 WeakPolarHBondContact O-CB 3.34Å; E1107-K1111 WeakPolarHBondContact O-CG 3.32Å; E1107-K1111 PolarHBondContact O-N 3.39Å; D1108-K1111 PolarHBondContact O-N 3.32Å; K1111-K1113 PolarHBondContact O-N 3.48Å; K1111-K1114 PolarHBondContact O-N 2.94Å; K1111-K1114 VanDerWaalsContact O-N 3.08Å
1112	Q	37.8	Very low	36.2	Very low	145 Å²	145	142.2 Å²	142.2	68%	0.678	66%	0.664	S	S	*	*	H	α-helix	trans	-63.1	-28.8	171.8	-78.9	179.3	-10.7	0	0	112.8	D1108 K1114	D1108-Q1112 WeakPolarHBondContact O-CG 3.48Å; D1108-Q1112 PolarHBondContact O-N 2.83Å; Q1112-K1114 VanDerWaalsContact C-N 3.33Å; Q1112-K1114 PolarHBondContact O-N 3.1Å
1113	K	38.2	Very low	35.7	Very low	172 Å²	172	136.9 Å²	136.9	75%	0.748	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-13.8	172.2	-74.4	-175.4	176.7	-178.9	0	114.8	H1109 N1110 K1111	H1109-K1113 PolarHBondContact O-N 2.94Å; N1110-K1113 PolarHBondContact O-N 3.31Å; K1111-K1113 PolarHBondContact O-N 3.48Å
1114	K	31.8	Very low	35.4	Very low	164 Å²	164	140.7 Å²	140.7	71%	0.713	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-12.4	-173.2	-103	-179.4	177.1	177	0	115.8	K1111 Q1112	K1111-K1114 PolarHBondContact O-N 2.94Å; K1111-K1114 VanDerWaalsContact O-N 3.08Å; Q1112-K1114 VanDerWaalsContact C-N 3.33Å; Q1112-K1114 PolarHBondContact O-N 3.1Å
1115	Y	32.6	Very low	34.8	Very low	201 Å²	201	144.3 Å²	144.3	79%	0.788	70%	0.704	S	S	*	*			trans	-149.5	95.3	178.7	-62.7	-78.5	0	0	0	113.2
1116	P	30.5	Very low	34.4	Very low	110 Å²	110	146 Å²	146	71%	0.714	72%	0.72	S	S	*	*			trans	-92.3	9.6	-175.8	34.3	-32.4	0	0	0	115.4
1117	W	31	Very low	34.2	Very low	233 Å²	233	143.8 Å²	143.8	88%	0.883	72%	0.723	S	S	*	*			trans	-117.7	85.6	-178.8	-65.2	94.3	0	0	0	112.4
1118	K	27.1	Very low	34.1	Very low	207 Å²	207	144.2 Å²	144.2	90%	0.9	74%	0.735	S	S	*	*			trans	174	129.6	138.9	-99.4	169.7	-177.1	-177.8	0	110.8
1119	A	27.1	Very low	33.9	Very low	103 Å²	103	147.8 Å²	147.8	85%	0.851	75%	0.754	S	S	*	*			trans	120.1	66.8	156.1	0	0	0	0	0	114.3
1120	N	29.7	Very low	33.9	Very low	165 Å²	165	150.8 Å²	150.8	88%	0.882	77%	0.765	S	S	*	*			trans	-89.2	98.2	145.2	-170.3	25.3	0	0	0	106.6
1121	E	30	Very low	34	Very low	155 Å²	155	152.9 Å²	152.9	72%	0.724	77%	0.772	S	S	*	*			trans	-168.9	126.7	158.3	-114.3	-179	-146.2	0	0	111.3
1122	R	28.5	Very low	34	Very low	225 Å²	225	153 Å²	153	85%	0.849	78%	0.776	S	S	*	*			trans	93	87.7	162	-54.8	176.9	-158.3	-168.9	4.8	118.7
1123	G	29.7	Very low	34.3	Very low	70 Å²	70	149.3 Å²	149.3	72%	0.722	77%	0.77	S	S	*	*				64.9	105.2	98.2	0	0	0	0	0	119.7
1124	H	34.3	Very low	34.6	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.875	76%	0.758	S	S	*	*			trans	4	128.2	148.4	-60	84.1	0	0	0	119.2
1125	N	28.4	Very low	35.2	Very low	166 Å²	166	143 Å²	143	89%	0.888	75%	0.752	S	S	*	*			trans	-156.7	143.8	134.2	-127.7	-17.1	0	0	0	115.1
1126	V	40.6	Very low	35.8	Very low	143 Å²	143	139.3 Å²	139.3	87%	0.867	75%	0.746	S	S	*	*			trans	-79.6	111.5	-175.6	177.6	0	0	0	0	109.6
1127	G	38.9	Very low	36.8	Very low	63 Å²	63	136.2 Å²	136.2	65%	0.649	73%	0.734	S	S	*	*			trans	-155.5	-2.1	-179.5	0	0	0	0	0	117.4
1128	S	40.8	Very low	37.7	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	2.2	-169.5	-158.8	0	0	0	0	115.5
1129	L	38	Very low	38.6	Very low	150 Å²	150	125.7 Å²	125.7	79%	0.785	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-7.3	-174.4	-90.3	158.2	0	0	0	115.2
1130	F	40.1	Very low	39.6	Very low	183 Å²	183	127.3 Å²	127.3	80%	0.803	69%	0.692	S	S	*	*	S	Bend	trans	-98.9	-14.2	-179.3	-95.2	-86.7	0	0	0	114.9
1131	H	41.5	Very low	40.4	Very low	147 Å²	147	127 Å²	127	68%	0.681	69%	0.685	S	S	*	*	H	α-helix	trans	-82.5	-20.8	178.9	-98.2	-69.1	0	0	0	114.2
1132	M	37.8	Very low	41.3	Very low	128 Å²	128	123.5 Å²	123.5	63%	0.631	68%	0.678	S	S	*	*	H	α-helix	trans	-80.5	-17	177.4	-86.3	178.8	-101.5	0	0	114.2
1133	A	44.3	Very low	41.9	Very low	68 Å²	68	118.3 Å²	118.3	56%	0.562	67%	0.666	S	S	*	*	H	α-helix	trans	-82.9	-24.8	179.2	0	0	0	0	0	113
1134	D	43.6	Very low	42.8	Very low	92 Å²	92	120 Å²	120	49%	0.492	66%	0.662	S	S	.	*	H	α-helix	trans	-87	-24.3	-174.4	-134.9	47.1	0	0	0	112.9	R1138	D1134-R1138 IonicContact OD2-CZ 2.65Å; D1134-R1138 IonicContact OD2-NH2 3.36Å; D1134-R1138 PolarHBondContact OD2-NH2 3.26Å
1135	D	45.1	Very low	43.5	Very low	111 Å²	111	115.2 Å²	115.2	59%	0.594	65%	0.65	S	S	*	*	H	α-helix	trans	-83.5	-25.5	176.4	-71.3	-23.4	0	0	0	112.7	A1139	D1135-A1139 PolarHBondContact O-N 3.47Å
1136	L	45.4	Very low	44.4	Very low	124 Å²	124	113 Å²	113	65%	0.649	64%	0.642	S	S	*	*	H	α-helix	trans	-73.8	-29	172.4	-103.5	147.2	0	0	0	112.6
1137	G	51.3	Low	44.5	Very low	45 Å²	45	113.7 Å²	113.7	46%	0.464	64%	0.638	S	S	.	*	H	α-helix	trans	-70.4	-38.1	175	0	0	0	0	0	113.6
1138	R	49.7	Very low	45	Very low	162 Å²	162	115.6 Å²	115.6	61%	0.611	64%	0.637	S	S	*	*	H	α-helix	trans	-76.9	-26.4	-179	-64.3	176.9	-146.7	-116.4	0.9	113.3	D1134	D1134-R1138 IonicContact OD2-CZ 2.65Å; D1134-R1138 IonicContact OD2-NH2 3.36Å; D1134-R1138 PolarHBondContact OD2-NH2 3.26Å
1139	A	46.3	Very low	45.2	Very low	56 Å²	56	118.5 Å²	118.5	46%	0.463	65%	0.645	S	S	.	*	H	α-helix	trans	-74.7	-27	175.3	0	0	0	0	0	113.2	D1135	D1135-A1139 PolarHBondContact O-N 3.47Å
1140	M	47.5	Very low	45.5	Very low	138 Å²	138	120.6 Å²	120.6	68%	0.68	65%	0.651	S	S	*	*	H	α-helix	trans	-78.2	-31.2	176.7	-89.1	177.8	62.8	0	0	113.6	L1143	M1140-L1143 PolarHBondContact O-N 2.86Å
1141	E	46.3	Very low	45.4	Very low	157 Å²	157	121.2 Å²	121.2	73%	0.734	66%	0.657	S	S	*	*	H	α-helix	trans	-68.3	-33.4	175.3	-101.9	177.9	164.3	0	0	112.6	L1143	E1141-L1143 VanDerWaalsContact C-N 3.34Å; E1141-L1143 PolarHBondContact O-N 2.93Å
1142	S	48.6	Very low	45.1	Very low	83 Å²	83	118 Å²	118	58%	0.58	66%	0.663	S	S	*	*	H	α-helix	trans	-78	-15.7	179.6	-159.7	0	0	0	0	114
1143	L	41.8	Very low	45.1	Very low	115 Å²	115	116.9 Å²	116.9	60%	0.602	67%	0.674	S	S	*	*	H	α-helix	trans	-91.1	-23	178.2	-101	154.6	0	0	0	113.1	M1140 E1141	M1140-L1143 PolarHBondContact O-N 2.86Å; E1141-L1143 VanDerWaalsContact C-N 3.34Å; E1141-L1143 PolarHBondContact O-N 2.93Å
1144	V	49.1	Very low	44.6	Very low	106 Å²	106	126.7 Å²	126.7	64%	0.642	71%	0.708	S	S	*	*	H	α-helix	trans	-81.1	-27.5	176.5	175.1	0	0	0	0	112.1	T1148	V1144-T1148 PolarHBondContact O-OG1 3.38Å
1145	S	49.1	Very low	44.7	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	72%	0.719	S	S	*	*	S	Bend	trans	-78.9	-13.5	177.9	-168.9	0	0	0	0	114.6
1146	V	46.3	Very low	44.7	Very low	119 Å²	119	129.3 Å²	129.3	72%	0.721	73%	0.726	S	S	*	*	S	Bend	trans	-99.5	-9.6	-178.4	177.1	0	0	0	0	112
1147	M	43.7	Very low	44.6	Very low	158 Å²	158	129.6 Å²	129.6	78%	0.778	73%	0.73	S	S	*	*	S	Bend	trans	-104.5	13.7	-178.1	-70.3	-172.9	64.7	0	0	114.6
1148	T	49.7	Very low	44.2	Very low	103 Å²	103	134.6 Å²	134.6	63%	0.632	75%	0.746	S	S	*	*	S	Bend	trans	-119.1	-0.6	-178.3	34.8	0	0	0	0	116.7	V1144	V1144-T1148 PolarHBondContact O-OG1 3.38Å
1149	D	44.9	Very low	43.9	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	75%	0.754	S	S	*	*	S	Bend	trans	-125.2	47.1	-177.6	-76.4	-24.3	0	0	0	114.1
1150	E	44.2	Very low	43.7	Very low	194 Å²	194	138 Å²	138	91%	0.907	77%	0.773	S	S	*	*			trans	-136.7	73	155.4	-85.9	-157.8	157.2	0	0	110.8
1151	E	36.6	Very low	43.5	Very low	197 Å²	197	138 Å²	138	92%	0.921	78%	0.78	S	S	*	*			trans	-149.7	90	153.1	-76.2	-161.5	154.4	0	0	111.4
1152	G	35.9	Very low	43.2	Very low	80 Å²	80	136.5 Å²	136.5	83%	0.825	78%	0.784	S	S	*	*			trans	83	121.6	131.3	0	0	0	0	0	123
1153	A	37	Very low	42.8	Very low	104 Å²	104	141 Å²	141	86%	0.86	80%	0.801	S	S	*	*			trans	93.7	98.8	138.3	0	0	0	0	0	120.7
1154	E	35.4	Very low	42.9	Very low	273 Å²	273	143.4 Å²	143.4	100%	1.276	82%	0.819	S	S	*	*				-161.7	0	99.7	-109.3	-176.3	-178.2	0	0	111.4

Retrieved 1,154 of 1,154 residues in 376.1 ms (Link to these results)

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