A0A5K4F0I3_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0I3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,466 aa.

						>A0A5K4F0I3_SCHMA|A0A5K4F0I3
MSSWQRLSGYLNSKPTGPPLVNNASDIAAYFESAFKRLKGIQRHWYVFEESTLKLMAYRNQMDAAIPDKEPLKTINIHGAVFHIDPAEHNQFSIISDGKEHILQAETEDAMLLWLHVLQTRRNEAVQTSESDNSSPNDDSLTDYKLFRQNSLMKMQMSIPTRASPIISSDSNESSFNNNGSLRSRKSSSHQNLNKLIKQLSIDQMNDHQSYNNNHLLIDHTSLWISPIDHSMNTSSSSSTTSTTNYDLMRRLSYNRSNSYDSDIIKQHVNDLNIINDKSIKLLSKSNNYLINQSSSSSSSNNKIYHRNRIMNLPIEEEENEDYSILNEKLSNQINGENRSHLRTTMKVLDNLSENKCQVNNQKEELMPENNLIGNDSYLVGEINGESREVSNTDSTESDEFNQTEKENYNVISRSGPQDSSERQCTGQQMSTGEYLTSQLSAKYQSSIILQNPRTFSDSDIDLENELSPNDYIRELKAQLQSALDREAYLRQMLSNREAGMREIDQKVENIENIEMKDNSSFKLPKNISPNKLRDMIEDYEQKQRILYRKNQFLITEIRELASIKYMFTDHSNKMSKYIQRLNMEGFKWRREYVKLLQACLGATQTDPHHRLMFSDYGKDRYKNLISELLDEARRKDPSLPSMIKPKTADYHVDFYGFKHSYLNETSIIHYSCQQLYDFYTRQLSGGDENFYRWTELLTQANRELTRADLEVLCRSGVPIQYREGVWRMLIHGELHQLMQIKGPLYYNGLLEEFSENTLAAQHRRQISLDLLRTMPNNVQFDNIDAPGVQKLQEVLQAYSIHNSKIGYCQGMNFIAAVALLFLRKEDAFWCLIAILERFLPENYFNSGLIDAQVDQLVLKEIVHEKLPRLSSHLKRLGIDISAVTLNWFLAVFYDSVPFETLIRIWDVFLLEGSETLFRFAVAILKRNQDMLLEQSDTISFWKCLKAATRLTNDVDGLIKTAFEELRPFPKPQLIATRRAYHYEILSKKMSIKKGYWQNVMKESPDEFIENQNHVQHKRSTKENQAVIQAITFYDNEHLWICYGDKLYSQISEVVVTSNCMQSIGYELESRVSCICAFSNEIILLGMMSKQLCAYSVIRNSKIWQIPIHDSVSDITFAYFLHDHTNKVYAGLTNGELVVIENIGFEEPRDSIYYITISFIPISSVLLAKSQLWCASGSSIFIFHAKTMDYYKQISISNNPLDVILKICLGDNGVWIAVRGSSVIELWDPDRLIRILLFNIVNETYLSRRPEEEYTFNPQRVTVILPYDNTLWIGTGMGEVLVYQIHTYQKTEKKKSLEGTIQMTRHKRSTSLKDELQLIGETTRKTLLKSTRCPSNPDVSHIPDKDPEPLFYPLRQNSLILEHAINSNYIYELQKIVRSKVAETPIRFLVMKKITDSHILIISCSTYFNDDDAVLKWKRDNNNGSIWTNEPIYVFDRESHSLRLPAYMRNSLCLQMHNKKSIIMNN
					

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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	30.6	Very low	62	Low	247 Å²	247	111 Å²	111	100%	1.217	55%	0.553	S	S	*	*				0	126.7	0	-75.2	166.5	160.7	0	0	107
2	S	30	Very low	64.2	Low	112 Å²	112	105.3 Å²	105.3	78%	0.783	53%	0.526	S	S	*	.			trans	-119.8	159.2	-173.5	36.5	0	0	0	0	110.9
3	S	29.3	Very low	65.6	Low	110 Å²	110	98.6 Å²	98.6	77%	0.769	50%	0.495	S	S	*	.			trans	51.9	78.4	-177.2	62.1	0	0	0	0	115.7
4	W	34	Very low	66	Low	257 Å²	257	95.1 Å²	95.1	97%	0.973	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-67.8	140	140.9	-79.1	92.5	0	0	0	108.3
5	Q	49.3	Very low	65.4	Low	179 Å²	179	91.7 Å²	91.7	84%	0.836	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-84.8	147.5	-171.3	-61.2	177.1	-69.8	0	0	111	L7	Q5-L7 PolarHBondContact O-N 2.95Å
6	R	64.4	Low	64.7	Low	151 Å²	151	88.6 Å²	88.6	57%	0.57	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-49.3	123.7	174.4	-75.5	177.6	169.4	179.6	-11.1	110.1	S8	R6-S8 PolarHBondContact O-N 3.23Å; R6-S8 PolarHBondContact O-OG 3.44Å
7	L	85.4	Confident	63.6	Low	24 Å²	24	85.4 Å²	85.4	13%	0.126	44%	0.444	C	S	.	.			trans	-54.8	111.1	177.2	178.2	75	0	0	0	109.4	Q5 F48 W114 V117 L118	Q5-L7 PolarHBondContact O-N 2.95Å; L7-F48 HydrophobicContact CB-CB 4.16Å; L7-F48 HydrophobicContact CD2-CB 4.23Å; L7-F48 PolarHBondContact O-N 3.19Å; L7-W114 HydrophobicContact CD1-CD2 4.29Å; L7-W114 HydrophobicContact CD1-CE3 4.3Å; L7-W114 HydrophobicContact CD2-CD2 4.15Å; L7-W114 HydrophobicContact CD2-CE3 3.38Å; L7-W114 HydrophobicContact CD2-CH2 4.39Å; L7-W114 HydrophobicContact CD2-CZ3 3.52Å; L7-W114 HydrophobicContact CG-CD2 4.22Å; L7-W114 HydrophobicContact CG-CE3 3.76Å; L7-W114 HydrophobicContact CG-CH2 4.01Å; L7-W114 HydrophobicContact CG-CZ2 4.46Å; L7-W114 HydrophobicContact CG-CZ3 3.64Å; L7-V117 HydrophobicContact CB-CG1 4.46Å; L7-V117 HydrophobicContact CD2-CB 3.89Å; L7-V117 HydrophobicContact CD2-CG1 3.81Å; L7-L118 HydrophobicContact CD2-CD2 4.3Å; L7-L118 HydrophobicContact CD2-CG 4.26Å
8	S	88.8	Confident	62.2	Low	56 Å²	56	83.4 Å²	83.4	39%	0.392	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	150.3	-174.3	52	0	0	0	0	111.6	R6 Y46	R6-S8 PolarHBondContact O-N 3.23Å; R6-S8 PolarHBondContact O-OG 3.44Å; S8-Y46 CarbonylContact C-O 3.51Å; S8-Y46 WeakPolarHBondContact CA-O 3.5Å; S8-Y46 WeakPolarHBondContact CB-O 3.5Å
9	G	88.9	Confident	61	Low	13 Å²	13	84.6 Å²	84.6	13%	0.134	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	173	-173.8	0	0	0	0	0	112.5	Y46	G9-Y46 PolarHBondContact N-O 3.36Å; G9-Y46 PolarHBondContact O-N 2.52Å
10	Y	91	Very high	59.8	Low	70 Å²	70	87.9 Å²	87.9	28%	0.275	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.3	170.4	-74	-68.8	0	0	0	110.8	R43 H44 W45 Q61	Y10-R43 HydrophobicContact CD1-CG 3.87Å; Y10-R43 HydrophobicContact CG-CG 4.16Å; Y10-H44 WeakPolarHBondContact CA-O 3.41Å; Y10-W45 HydrophobicContact CD1-CB 4.2Å; Y10-W45 HydrophobicContact CD1-CE3 4.02Å; Y10-W45 AromaticContact CD2-CE3 3.59Å; Y10-W45 HydrophobicContact CD2-CE3 3.59Å; Y10-W45 AromaticContact CD2-CZ3 3.74Å; Y10-W45 HydrophobicContact CD2-CZ3 3.74Å; Y10-W45 HydrophobicContact CE1-CB 3.9Å; Y10-W45 AromaticContact CE1-CE3 3.95Å; Y10-W45 HydrophobicContact CE1-CE3 3.95Å; Y10-W45 AromaticContact CE2-CE3 3.5Å; Y10-W45 HydrophobicContact CE2-CE3 3.5Å; Y10-W45 VanDerWaalsContact CE2-CE3 3.5Å; Y10-W45 AromaticContact CE2-CZ3 3.74Å; Y10-W45 HydrophobicContact CE2-CZ3 3.74Å; Y10-W45 AromaticContact CG-CE3 3.83Å; Y10-W45 HydrophobicContact CG-CE3 3.83Å; Y10-W45 HydrophobicContact CG-CZ3 4.34Å; Y10-W45 AromaticContact CZ-CE3 3.67Å; Y10-Q61 PolarHBondContact OH-N 3.29Å
11	L	90.6	Very high	59.1	Low	2 Å²	2	87.3 Å²	87.3	1%	0.01	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.7	163.5	-65	172.3	0	0	0	109.5	H44 Y46 F92 L103 A105 W114	L11-H44 PolarHBondContact N-O 2.63Å; L11-H44 PolarHBondContact O-N 2.91Å; L11-Y46 HydrophobicContact CB-CD2 3.62Å; L11-Y46 HydrophobicContact CB-CE2 3.82Å; L11-Y46 HydrophobicContact CD1-CD2 4.07Å; L11-Y46 HydrophobicContact CD1-CG 4.16Å; L11-Y46 HydrophobicContact CG-CD2 4.14Å; L11-F92 HydrophobicContact CD1-CZ 4.05Å; L11-F92 HydrophobicContact CD2-CE1 4.31Å; L11-F92 HydrophobicContact CD2-CZ 4.48Å; L11-L103 HydrophobicContact CD1-CB 4.4Å; L11-L103 HydrophobicContact CD1-CD1 4.06Å; L11-A105 HydrophobicContact CD2-CB 3.93Å; L11-W114 HydrophobicContact CD1-CD2 4.07Å; L11-W114 HydrophobicContact CD1-CE3 4.42Å; L11-W114 HydrophobicContact CD1-CH2 4.42Å; L11-W114 HydrophobicContact CD1-CZ2 4.05Å; L11-W114 HydrophobicContact CG-CZ2 4.26Å
12	N	87.8	Confident	59.6	Low	43 Å²	43	83.2 Å²	83.2	23%	0.23	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.7	174.3	-83	-5	0	0	0	108.5	I41 R43 L103 Q104	N12-I41 HydrophobicContact CB-CG2 3.44Å; N12-I41 VanDerWaalsContact CB-CG2 3.44Å; N12-I41 VanDerWaalsContact CG-CG2 3.49Å; N12-R43 WeakPolarHBondContact OD1-CB 3.18Å; N12-R43 WeakPolarHBondContact OD1-CG 3.45Å; N12-L103 WeakPolarHBondContact O-CA 3.33Å; N12-Q104 HydrophobicContact CB-CB 4.03Å; N12-Q104 PolarHBondContact N-O 3.33Å; N12-Q104 PolarHBondContact O-N 3.02Å
13	S	82.9	Confident	60.1	Low	18 Å²	18	82.9 Å²	82.9	13%	0.126	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.1	178	59.2	0	0	0	0	110.9	Q42 H44	S13-Q42 PolarHBondContact N-O 2.83Å; S13-Q42 PolarHBondContact O-N 2.66Å; S13-Q42 PolarHBondContact OG-O 3.44Å; S13-H44 PolarHBondContact OG-ND1 2.91Å
14	K	70.5	Confident	60.5	Low	50 Å²	50	81.2 Å²	81.2	22%	0.217	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.2	166	-75.6	-177.1	179.9	169.7	0	108.5	T16 E88 Q91 I102	K14-T16 PolarHBondContact O-N 3.11Å; K14-E88 IonicContact NZ-OE2 2.98Å; K14-E88 PolarHBondContact NZ-OE2 2.85Å; K14-Q91 VanDerWaalsContact CD-OE1 3.3Å; K14-I102 HydrophobicContact CB-CB 4.15Å; K14-I102 HydrophobicContact CB-CG2 4.05Å; K14-I102 HydrophobicContact CD-CG2 4.1Å; K14-I102 HydrophobicContact CG-CG2 4.44Å; K14-I102 PolarHBondContact N-O 2.71Å; K14-I102 VanDerWaalsContact N-O 3.13Å
15	P	57.9	Low	60.9	Low	44 Å²	44	72 Å²	72	29%	0.286	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68.5	122.9	177.1	25.4	-31.7	0	0	0	110.7	R37	P15-R37 HydrophobicContact CB-CG 4.24Å; P15-R37 HydrophobicContact CG-CB 3.69Å; P15-R37 HydrophobicContact CG-CG 3.73Å; P15-R37 WeakPolarHBondContact O-CD 3.15Å
16	T	53.7	Low	60.9	Low	41 Å²	41	66 Å²	66	25%	0.252	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-89.8	148.2	-173.2	47.3	0	0	0	0	113.2	K14 E100 I102	K14-T16 PolarHBondContact O-N 3.11Å; T16-E100 WeakPolarHBondContact CB-O 3.26Å; T16-E100 VanDerWaalsContact CG2-O 3.29Å; T16-E100 WeakPolarHBondContact CG2-O 3.26Å; T16-E100 PolarHBondContact OG1-O 3.36Å; T16-I102 HydrophobicContact CG2-CB 4Å; T16-I102 HydrophobicContact CG2-CD1 4.01Å; T16-I102 HydrophobicContact CG2-CG1 3.71Å; T16-I102 VanDerWaalsContact CG2-N 3.34Å
17	G	45.5	Very low	60.1	Low	35 Å²	35	61.2 Å²	61.2	36%	0.361	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-82	169.3	-172.4	0	0	0	0	0	115.1
18	P	39.6	Very low	58.2	Low	50 Å²	50	60.9 Å²	60.9	33%	0.325	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-69.4	162.5	164.5	33.4	-36.2	0	0	0	110.8	Y30 S33	P18-Y30 HydrophobicContact CG-CD2 3.84Å; P18-S33 WeakPolarHBondContact CD-OG 3.29Å
19	P	38.6	Very low	56.3	Low	106 Å²	106	61 Å²	61	69%	0.688	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-62.9	162.7	172.7	28.9	-36.3	0	0	0	112	V21	P19-V21 WeakPolarHBondContact O-CG2 3.24Å
20	L	37.3	Very low	54.6	Low	149 Å²	149	62.3 Å²	62.3	78%	0.78	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-58.9	134.8	174.1	-69.3	161.5	0	0	0	111.1
21	V	46	Very low	52.5	Low	76 Å²	76	59.3 Å²	59.3	46%	0.461	36%	0.361	S	S	.	.			trans	-135	145.5	-177.8	-151.7	0	0	0	0	111.6	P19 D26	P19-V21 WeakPolarHBondContact O-CG2 3.24Å; V21-D26 HydrophobicContact CB-CB 3.93Å; V21-D26 HydrophobicContact CG1-CB 3.68Å; V21-D26 WeakPolarHBondContact CG1-OD2 3.38Å; V21-D26 HydrophobicContact CG2-CB 4.24Å
22	N	40.8	Very low	50.4	Low	162 Å²	162	63.9 Å²	63.9	87%	0.866	38%	0.383	S	S	*	.			trans	-102.4	4.4	-169.5	-65.5	-23.2	0	0	0	114.9
23	N	39	Very low	48.5	Very low	105 Å²	105	63.1 Å²	63.1	56%	0.561	38%	0.38	S	S	*	.	S	Bend	trans	-124.1	148.3	-170.8	-78.6	-26.3	0	0	0	113.8	S25 D26 I27	N23-S25 PolarHBondContact O-N 3.03Å; N23-D26 WeakPolarHBondContact CB-OD2 3.48Å; N23-D26 PolarHBondContact O-N 3.03Å; N23-D26 VanDerWaalsContact O-N 3.12Å; N23-I27 PolarHBondContact O-N 3.46Å
24	A	38.1	Very low	46.7	Very low	74 Å²	74	63.5 Å²	63.5	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-66.3	-28.9	-172.3	0	0	0	0	0	115	D26	A24-D26 PolarHBondContact O-N 2.65Å
25	S	43.6	Very low	45.5	Very low	65 Å²	65	64 Å²	64	46%	0.455	39%	0.387	S	S	.	.	H	α-helix	trans	-59.1	-34.2	173.3	47.9	0	0	0	0	112.4	N23	N23-S25 PolarHBondContact O-N 3.03Å
26	D	49.5	Very low	44.9	Very low	53 Å²	53	67.5 Å²	67.5	28%	0.283	40%	0.398	S	S	.	.	H	α-helix	trans	-92.5	-19.4	-165.4	-46	-32.8	0	0	0	110.6	V21 N23 A24 A28 A29 Y30	V21-D26 HydrophobicContact CB-CB 3.93Å; V21-D26 HydrophobicContact CG1-CB 3.68Å; V21-D26 WeakPolarHBondContact CG1-OD2 3.38Å; V21-D26 HydrophobicContact CG2-CB 4.24Å; N23-D26 WeakPolarHBondContact CB-OD2 3.48Å; N23-D26 PolarHBondContact O-N 3.03Å; N23-D26 VanDerWaalsContact O-N 3.12Å; A24-D26 PolarHBondContact O-N 2.65Å; D26-A28 VanDerWaalsContact C-N 3.25Å; D26-A28 PolarHBondContact O-N 2.65Å; D26-A29 PolarHBondContact O-N 2.86Å; D26-Y30 VanDerWaalsContact O-CB 3.28Å; D26-Y30 WeakPolarHBondContact O-CB 3.44Å; D26-Y30 PolarHBondContact O-N 3.42Å
27	I	47	Very low	44.4	Very low	50 Å²	50	66.5 Å²	66.5	26%	0.256	39%	0.389	S	S	.	.	H	α-helix	trans	-56.1	-40	167	-61.4	178.4	0	0	0	110.8	N23 Y30 F31 Y722	N23-I27 PolarHBondContact O-N 3.46Å; I27-Y30 WeakPolarHBondContact O-CB 3.23Å; I27-Y30 PolarHBondContact O-N 3.24Å; I27-F31 HydrophobicContact CG2-CD2 3.75Å; I27-F31 HydrophobicContact CG2-CE2 3.62Å; I27-F31 VanDerWaalsContact O-CD2 3.23Å; I27-F31 WeakPolarHBondContact O-CD2 3.39Å; I27-F31 PolarHBondContact O-N 3.19Å; I27-Y722 HydrophobicContact CD1-CD1 4.48Å; I27-Y722 HydrophobicContact CD1-CE1 4.32Å
28	A	46.1	Very low	44.1	Very low	17 Å²	17	69.3 Å²	69.3	14%	0.14	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-47.3	177.7	0	0	0	0	0	112.1	D26 Y30 F31 E32	D26-A28 VanDerWaalsContact C-N 3.25Å; D26-A28 PolarHBondContact O-N 2.65Å; A28-Y30 VanDerWaalsContact C-N 3.3Å; A28-Y30 PolarHBondContact O-N 2.68Å; A28-F31 PolarHBondContact O-N 2.77Å; A28-E32 PolarHBondContact O-N 2.93Å
29	A	48.1	Very low	44.3	Very low	59 Å²	59	73.2 Å²	73.2	49%	0.488	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-33.8	175.9	0	0	0	0	0	112.1	D26 E32 S33	D26-A29 PolarHBondContact O-N 2.86Å; A29-E32 PolarHBondContact O-N 3.1Å; A29-S33 WeakPolarHBondContact O-CB 3.42Å; A29-S33 PolarHBondContact O-N 3.25Å
30	Y	52.4	Low	44.9	Very low	39 Å²	39	70 Å²	70	15%	0.153	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-47.9	173.5	179.4	-85	0	0	0	111.7	P18 D26 I27 A28 E32 S33 A34 L698 A701	P18-Y30 HydrophobicContact CG-CD2 3.84Å; D26-Y30 VanDerWaalsContact O-CB 3.28Å; D26-Y30 WeakPolarHBondContact O-CB 3.44Å; D26-Y30 PolarHBondContact O-N 3.42Å; I27-Y30 WeakPolarHBondContact O-CB 3.23Å; I27-Y30 PolarHBondContact O-N 3.24Å; A28-Y30 VanDerWaalsContact C-N 3.3Å; A28-Y30 PolarHBondContact O-N 2.68Å; Y30-E32 VanDerWaalsContact C-N 3.34Å; Y30-E32 PolarHBondContact O-N 3.22Å; Y30-S33 CarbonylContact O-C 3.59Å; Y30-S33 WeakPolarHBondContact O-CA 3.29Å; Y30-S33 WeakPolarHBondContact O-CB 2.98Å; Y30-S33 PolarHBondContact O-N 3.22Å; Y30-S33 VanDerWaalsContact O-N 3.13Å; Y30-S33 PolarHBondContact O-OG 2.7Å; Y30-A34 PolarHBondContact O-N 2.89Å; Y30-L698 WeakPolarHBondContact CE1-O 3.15Å; Y30-L698 PolarHBondContact OH-O 3.09Å; Y30-A701 HydrophobicContact CE2-CB 4.33Å; Y30-A701 VanDerWaalsContact OH-CA 3.25Å; Y30-A701 WeakPolarHBondContact OH-CA 3.44Å; Y30-A701 WeakPolarHBondContact OH-CB 3.44Å
31	F	47.3	Very low	46.2	Very low	8 Å²	8	66.6 Å²	66.6	4%	0.035	38%	0.375	C	S	.	.	H	α-helix	trans	-56.7	-45.8	172.5	-87.7	-64.3	0	0	0	112.1	I27 A28 S33 A34 F35 L698 V726 M729	I27-F31 HydrophobicContact CG2-CD2 3.75Å; I27-F31 HydrophobicContact CG2-CE2 3.62Å; I27-F31 VanDerWaalsContact O-CD2 3.23Å; I27-F31 WeakPolarHBondContact O-CD2 3.39Å; I27-F31 PolarHBondContact O-N 3.19Å; A28-F31 PolarHBondContact O-N 2.77Å; F31-S33 VanDerWaalsContact C-N 3.25Å; F31-S33 PolarHBondContact O-N 2.82Å; F31-A34 WeakPolarHBondContact O-CB 3.22Å; F31-A34 PolarHBondContact O-N 3.29Å; F31-F35 PolarHBondContact O-N 3.46Å; F31-L698 HydrophobicContact CD1-CD2 4.2Å; F31-L698 HydrophobicContact CE1-CD1 4.35Å; F31-L698 HydrophobicContact CE1-CD2 3.2Å; F31-L698 HydrophobicContact CE1-CG 4.39Å; F31-L698 HydrophobicContact CE2-CD1 4.22Å; F31-L698 HydrophobicContact CE2-CD2 4.44Å; F31-L698 HydrophobicContact CZ-CD1 3.59Å; F31-L698 HydrophobicContact CZ-CD2 3.34Å; F31-L698 HydrophobicContact CZ-CG 4.1Å; F31-V726 HydrophobicContact CE1-CG2 4.1Å; F31-V726 HydrophobicContact CE2-CG2 4.1Å; F31-V726 HydrophobicContact CZ-CG2 3.45Å; F31-V726 VanDerWaalsContact CZ-CG2 3.45Å; F31-M729 HydrophobicContact CB-CB 4.24Å; F31-M729 HydrophobicContact CB-CG 4.33Å; F31-M729 HydrophobicContact CB-SD 4.35Å; F31-M729 HydrophobicContact CD1-CB 4.48Å; F31-M729 HydrophobicContact CD1-CG 4.27Å; F31-M729 HydrophobicContact CD1-SD 3.26Å; F31-M729 WeakPolarHBondContact CD1-SD 3.34Å; F31-M729 HydrophobicContact CE1-SD 3.67Å; F31-M729 HydrophobicContact CG-CB 4.42Å; F31-M729 HydrophobicContact CG-SD 4.07Å
32	E	48	Very low	47.6	Very low	98 Å²	98	66.9 Å²	66.9	46%	0.458	37%	0.372	S	S	.	.	H	α-helix	trans	-61.5	-35.7	177.4	-148.7	-158.2	129.8	0	0	111.7	A28 A29 Y30 K36	A28-E32 PolarHBondContact O-N 2.93Å; A29-E32 PolarHBondContact O-N 3.1Å; Y30-E32 VanDerWaalsContact C-N 3.34Å; Y30-E32 PolarHBondContact O-N 3.22Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 2.89Å; E32-K36 VanDerWaalsContact O-N 3.13Å; E32-K36 IonicContact OE1-NZ 3.59Å; E32-K36 PolarHBondContact OE1-NZ 2.82Å
33	S	47.2	Very low	49.8	Very low	26 Å²	26	65.6 Å²	65.6	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-69.6	-29.8	172.7	90.3	0	0	0	0	113.5	P18 A29 Y30 F31 R37	P18-S33 WeakPolarHBondContact CD-OG 3.29Å; A29-S33 WeakPolarHBondContact O-CB 3.42Å; A29-S33 PolarHBondContact O-N 3.25Å; Y30-S33 CarbonylContact O-C 3.59Å; Y30-S33 WeakPolarHBondContact O-CA 3.29Å; Y30-S33 WeakPolarHBondContact O-CB 2.98Å; Y30-S33 PolarHBondContact O-N 3.22Å; Y30-S33 VanDerWaalsContact O-N 3.13Å; Y30-S33 PolarHBondContact O-OG 2.7Å; F31-S33 VanDerWaalsContact C-N 3.25Å; F31-S33 PolarHBondContact O-N 2.82Å; S33-R37 VanDerWaalsContact O-CG 3.25Å; S33-R37 WeakPolarHBondContact O-CG 3.48Å; S33-R37 PolarHBondContact O-NE 2.81Å; S33-R37 PolarHBondContact OG-NH2 2.91Å
34	A	44.7	Very low	52.3	Low	27 Å²	27	62 Å²	62	22%	0.223	33%	0.334	C	S	.	.	H	α-helix	trans	-77.3	-42.6	178	0	0	0	0	0	110.9	Y30 F31 K36 R37	Y30-A34 PolarHBondContact O-N 2.89Å; F31-A34 WeakPolarHBondContact O-CB 3.22Å; F31-A34 PolarHBondContact O-N 3.29Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 2.85Å; A34-R37 VanDerWaalsContact O-CB 3.23Å; A34-R37 WeakPolarHBondContact O-CB 3.12Å; A34-R37 VanDerWaalsContact O-CG 3.28Å; A34-R37 WeakPolarHBondContact O-CG 3.05Å; A34-R37 PolarHBondContact O-N 2.89Å
35	F	44.6	Very low	54.9	Low	59 Å²	59	59.9 Å²	59.9	26%	0.259	31%	0.311	S	S	.	.	H	α-helix	trans	-70.9	-27.4	176.9	-98.5	-120	0	0	0	113.4	F31 R37 L38 L710 M729	F31-F35 PolarHBondContact O-N 3.46Å; F35-R37 PolarHBondContact O-N 3.07Å; F35-L38 HydrophobicContact CD1-CD1 3.55Å; F35-L38 HydrophobicContact CD2-CD1 4.25Å; F35-L38 HydrophobicContact CE1-CD1 3.62Å; F35-L38 HydrophobicContact CE2-CD1 4.29Å; F35-L38 HydrophobicContact CG-CD1 3.88Å; F35-L38 HydrophobicContact CZ-CD1 3.99Å; F35-L38 WeakPolarHBondContact O-CB 3.36Å; F35-L38 PolarHBondContact O-N 3.14Å; F35-L38 VanDerWaalsContact O-N 3.12Å; F35-L710 HydrophobicContact CE2-CD1 4.14Å; F35-L710 HydrophobicContact CZ-CD1 3.74Å; F35-M729 HydrophobicContact CD1-CG 4.24Å; F35-M729 HydrophobicContact CD2-CG 3.74Å; F35-M729 HydrophobicContact CD2-SD 3.54Å; F35-M729 VanDerWaalsContact CD2-SD 3.54Å; F35-M729 HydrophobicContact CE1-CG 4.34Å; F35-M729 HydrophobicContact CE2-CE 3.83Å; F35-M729 HydrophobicContact CE2-CG 3.88Å; F35-M729 HydrophobicContact CE2-SD 3.27Å; F35-M729 WeakPolarHBondContact CE2-SD 3.21Å; F35-M729 HydrophobicContact CG-CG 3.95Å; F35-M729 HydrophobicContact CG-SD 4.34Å; F35-M729 HydrophobicContact CZ-CE 3.89Å; F35-M729 HydrophobicContact CZ-CG 4.17Å; F35-M729 HydrophobicContact CZ-SD 3.87Å
36	K	45.5	Very low	57.3	Low	118 Å²	118	57 Å²	57	51%	0.513	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-59.3	-14.9	167.5	-82.7	165.6	179.9	155.5	0	113.7	E32 A34	E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 2.89Å; E32-K36 VanDerWaalsContact O-N 3.13Å; E32-K36 IonicContact OE1-NZ 3.59Å; E32-K36 PolarHBondContact OE1-NZ 2.82Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 2.85Å
37	R	43.8	Very low	59.3	Low	20 Å²	20	55.2 Å²	55.2	8%	0.075	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-85.8	-16.9	177.9	-43	-174.4	-157.8	-179.5	17.6	113.8	P15 S33 A34 F35 K39 G40 A701	P15-R37 HydrophobicContact CB-CG 4.24Å; P15-R37 HydrophobicContact CG-CB 3.69Å; P15-R37 HydrophobicContact CG-CG 3.73Å; P15-R37 WeakPolarHBondContact O-CD 3.15Å; S33-R37 VanDerWaalsContact O-CG 3.25Å; S33-R37 WeakPolarHBondContact O-CG 3.48Å; S33-R37 PolarHBondContact O-NE 2.81Å; S33-R37 PolarHBondContact OG-NH2 2.91Å; A34-R37 VanDerWaalsContact O-CB 3.23Å; A34-R37 WeakPolarHBondContact O-CB 3.12Å; A34-R37 VanDerWaalsContact O-CG 3.28Å; A34-R37 WeakPolarHBondContact O-CG 3.05Å; A34-R37 PolarHBondContact O-N 2.89Å; F35-R37 PolarHBondContact O-N 3.07Å; R37-K39 CarbonylContact O-C 3.58Å; R37-K39 PolarHBondContact O-N 3.18Å; R37-K39 VanDerWaalsContact O-N 3.1Å; R37-G40 PolarHBondContact O-N 2.63Å; R37-A701 PolarHBondContact NH1-O 2.84Å
38	L	39.7	Very low	61.5	Low	94 Å²	94	52.9 Å²	52.9	49%	0.492	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-63.7	-11.5	169	-63.9	170.3	0	0	0	112.5	F35 G40	F35-L38 HydrophobicContact CD1-CD1 3.55Å; F35-L38 HydrophobicContact CD2-CD1 4.25Å; F35-L38 HydrophobicContact CE1-CD1 3.62Å; F35-L38 HydrophobicContact CE2-CD1 4.29Å; F35-L38 HydrophobicContact CG-CD1 3.88Å; F35-L38 HydrophobicContact CZ-CD1 3.99Å; F35-L38 WeakPolarHBondContact O-CB 3.36Å; F35-L38 PolarHBondContact O-N 3.14Å; F35-L38 VanDerWaalsContact O-N 3.12Å; L38-G40 PolarHBondContact O-N 2.82Å
39	K	43.2	Very low	63.6	Low	132 Å²	132	54.2 Å²	54.2	57%	0.574	27%	0.272	S	S	*	.	S	Bend	trans	-75	77	155.5	-67.8	-175.3	178.5	179	0	109	R37 Q42	R37-K39 CarbonylContact O-C 3.58Å; R37-K39 PolarHBondContact O-N 3.18Å; R37-K39 VanDerWaalsContact O-N 3.1Å; K39-Q42 PolarHBondContact O-NE2 2.81Å
40	G	50.2	Low	65.3	Low	39 Å²	39	55.1 Å²	55.1	40%	0.402	27%	0.267	S	S	.	.			trans	-54.6	165.9	-169.7	0	0	0	0	0	115.8	R37 L38 Q42	R37-G40 PolarHBondContact O-N 2.63Å; L38-G40 PolarHBondContact O-N 2.82Å; G40-Q42 WeakPolarHBondContact O-CG 3.49Å; G40-Q42 PolarHBondContact O-N 2.71Å
41	I	65.2	Low	66.7	Low	77 Å²	77	58.1 Å²	58.1	40%	0.395	29%	0.293	S	S	.	.			trans	-19.6	108.8	-172.3	-55.7	178.9	0	0	0	114.6	N12	N12-I41 HydrophobicContact CB-CG2 3.44Å; N12-I41 VanDerWaalsContact CB-CG2 3.44Å; N12-I41 VanDerWaalsContact CG-CG2 3.49Å
42	Q	75	Confident	68.6	Low	82 Å²	82	60.3 Å²	60.3	38%	0.383	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.3	-177.9	-59.7	179.7	19.8	0	0	110.2	S13 K39 G40 H44	S13-Q42 PolarHBondContact N-O 2.83Å; S13-Q42 PolarHBondContact O-N 2.66Å; S13-Q42 PolarHBondContact OG-O 3.44Å; K39-Q42 PolarHBondContact O-NE2 2.81Å; G40-Q42 WeakPolarHBondContact O-CG 3.49Å; G40-Q42 PolarHBondContact O-N 2.71Å; Q42-H44 VanDerWaalsContact CB-CE1 3.5Å; Q42-H44 WeakPolarHBondContact CB-CE1 3.33Å; Q42-H44 PolarHBondContact O-ND1 2.82Å
43	R	88.5	Confident	70.6	Confident	135 Å²	135	57 Å²	57	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.9	178.7	-170.3	175.4	-177.5	-152.3	5.3	110	Y10 N12 E106	Y10-R43 HydrophobicContact CD1-CG 3.87Å; Y10-R43 HydrophobicContact CG-CG 4.16Å; N12-R43 WeakPolarHBondContact OD1-CB 3.18Å; N12-R43 WeakPolarHBondContact OD1-CG 3.45Å; R43-E106 IonicContact CZ-OE1 3.2Å; R43-E106 IonicContact NE-OE1 2.74Å; R43-E106 IonicContact NH2-OE1 3.71Å; R43-E106 PolarHBondContact NH2-OE1 2.79Å
44	H	91.5	Very high	72.7	Confident	29 Å²	29	60.1 Å²	60.1	13%	0.134	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.6	-178.4	-69.8	111.8	0	0	0	111	Y10 L11 S13 Q42 Y46 A57	Y10-H44 WeakPolarHBondContact CA-O 3.41Å; L11-H44 PolarHBondContact N-O 2.63Å; L11-H44 PolarHBondContact O-N 2.91Å; S13-H44 PolarHBondContact OG-ND1 2.91Å; Q42-H44 VanDerWaalsContact CB-CE1 3.5Å; Q42-H44 WeakPolarHBondContact CB-CE1 3.33Å; Q42-H44 PolarHBondContact O-ND1 2.82Å; H44-Y46 HydrophobicContact CB-CD2 4.21Å; H44-Y46 HydrophobicContact CB-CE2 3.74Å; H44-Y46 WeakPolarHBondContact O-CD2 3.45Å; H44-A57 HydrophobicContact CB-CB 4.47Å
45	W	92.6	Very high	75	Confident	31 Å²	31	58.8 Å²	58.8	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.1	172.7	-176	-91.3	0	0	0	109.6	Y10 Y58 Q61	Y10-W45 HydrophobicContact CD1-CB 4.2Å; Y10-W45 HydrophobicContact CD1-CE3 4.02Å; Y10-W45 AromaticContact CD2-CE3 3.59Å; Y10-W45 HydrophobicContact CD2-CE3 3.59Å; Y10-W45 AromaticContact CD2-CZ3 3.74Å; Y10-W45 HydrophobicContact CD2-CZ3 3.74Å; Y10-W45 HydrophobicContact CE1-CB 3.9Å; Y10-W45 AromaticContact CE1-CE3 3.95Å; Y10-W45 HydrophobicContact CE1-CE3 3.95Å; Y10-W45 AromaticContact CE2-CE3 3.5Å; Y10-W45 HydrophobicContact CE2-CE3 3.5Å; Y10-W45 VanDerWaalsContact CE2-CE3 3.5Å; Y10-W45 AromaticContact CE2-CZ3 3.74Å; Y10-W45 HydrophobicContact CE2-CZ3 3.74Å; Y10-W45 AromaticContact CG-CE3 3.83Å; Y10-W45 HydrophobicContact CG-CE3 3.83Å; Y10-W45 HydrophobicContact CG-CZ3 4.34Å; Y10-W45 AromaticContact CZ-CE3 3.67Å; W45-Y58 PolarHBondContact N-O 2.99Å; W45-Y58 PolarHBondContact O-N 2.9Å; W45-Q61 HydrophobicContact CD2-CB 3.81Å; W45-Q61 HydrophobicContact CD2-CG 4.12Å; W45-Q61 HydrophobicContact CE3-CB 3.98Å; W45-Q61 HydrophobicContact CE3-CG 4.41Å; W45-Q61 HydrophobicContact CG-CB 4.24Å; W45-Q61 HydrophobicContact CH2-CB 4.49Å; W45-Q61 HydrophobicContact CH2-CG 4.08Å; W45-Q61 HydrophobicContact CZ2-CB 4.36Å; W45-Q61 HydrophobicContact CZ2-CG 3.77Å; W45-Q61 HydrophobicContact CZ3-CB 4.3Å; W45-Q61 HydrophobicContact CZ3-CG 4.39Å
46	Y	93.4	Very high	77.2	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.1	179.3	-78	-94.8	0	0	0	111.5	S8 G9 L11 H44 L55 M56 A57 I75 L103	S8-Y46 CarbonylContact C-O 3.51Å; S8-Y46 WeakPolarHBondContact CA-O 3.5Å; S8-Y46 WeakPolarHBondContact CB-O 3.5Å; G9-Y46 PolarHBondContact N-O 3.36Å; G9-Y46 PolarHBondContact O-N 2.52Å; L11-Y46 HydrophobicContact CB-CD2 3.62Å; L11-Y46 HydrophobicContact CB-CE2 3.82Å; L11-Y46 HydrophobicContact CD1-CD2 4.07Å; L11-Y46 HydrophobicContact CD1-CG 4.16Å; L11-Y46 HydrophobicContact CG-CD2 4.14Å; H44-Y46 HydrophobicContact CB-CD2 4.21Å; H44-Y46 HydrophobicContact CB-CE2 3.74Å; H44-Y46 WeakPolarHBondContact O-CD2 3.45Å; Y46-L55 HydrophobicContact CD1-CD1 3.88Å; Y46-L55 HydrophobicContact CD1-CD2 4.39Å; Y46-L55 HydrophobicContact CD1-CG 3.88Å; Y46-L55 HydrophobicContact CG-CD1 4.43Å; Y46-M56 CarbonylContact C-O 3.58Å; Y46-M56 VanDerWaalsContact CA-O 3.3Å; Y46-M56 WeakPolarHBondContact CA-O 3.43Å; Y46-A57 HydrophobicContact CD1-CB 4Å; Y46-A57 HydrophobicContact CE1-CB 3.6Å; Y46-A57 HydrophobicContact CE2-CB 4.37Å; Y46-I75 HydrophobicContact CE1-CD1 4.47Å; Y46-L103 HydrophobicContact CE1-CD2 4.39Å; Y46-L103 HydrophobicContact CE2-CD2 4.16Å; Y46-L103 WeakPolarHBondContact OH-CD2 3.22Å
47	V	92.3	Very high	79.4	Confident	16 Å²	16	51.6 Å²	51.6	10%	0.097	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125.5	172.8	-176.6	0	0	0	0	108.6	M56 Y58 A64	V47-M56 PolarHBondContact N-O 3.34Å; V47-M56 PolarHBondContact O-N 2.93Å; V47-Y58 HydrophobicContact CG2-CD2 4.28Å; V47-Y58 HydrophobicContact CG2-CE2 4.36Å; V47-A64 HydrophobicContact CG2-CB 3.97Å
48	F	92.7	Very high	81.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.9	169.7	178.4	-117.9	0	0	0	110.3	L7 E50 L53 L55 I77 L118 R121	L7-F48 HydrophobicContact CB-CB 4.16Å; L7-F48 HydrophobicContact CD2-CB 4.23Å; L7-F48 PolarHBondContact O-N 3.19Å; F48-E50 HydrophobicContact CD1-CG 4.07Å; F48-E50 HydrophobicContact CE1-CB 4.47Å; F48-E50 HydrophobicContact CE1-CG 3.93Å; F48-L53 HydrophobicContact CZ-CD2 4.25Å; F48-L55 HydrophobicContact CB-CD1 4.23Å; F48-L55 HydrophobicContact CD2-CB 4.48Å; F48-I77 HydrophobicContact CD2-CG1 4.32Å; F48-I77 HydrophobicContact CE2-CB 4.31Å; F48-I77 HydrophobicContact CE2-CG1 3.88Å; F48-L118 HydrophobicContact CB-CD2 4.41Å; F48-L118 HydrophobicContact CD1-CD2 4.37Å; F48-L118 HydrophobicContact CD2-CD2 3.54Å; F48-L118 HydrophobicContact CE2-CD2 3.8Å; F48-L118 HydrophobicContact CG-CD2 3.86Å; F48-L118 HydrophobicContact CZ-CD2 4.31Å; F48-R121 HydrophobicContact CE1-CB 4.05Å; F48-R121 HydrophobicContact CE1-CG 4.03Å; F48-R121 HydrophobicContact CZ-CB 4.01Å; F48-R121 HydrophobicContact CZ-CG 4.5Å
49	E	89.3	Confident	84	Confident	45 Å²	45	56.4 Å²	56.4	21%	0.21	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	106.3	175.2	-177.9	170.3	-113.8	0	0	110.7	S51 T52 L53 K54 M56	E49-S51 VanDerWaalsContact C-N 3.29Å; E49-S51 WeakPolarHBondContact CG-OG 3.28Å; E49-S51 PolarHBondContact O-N 2.82Å; E49-T52 HydrophobicContact CG-CG2 4.37Å; E49-T52 WeakPolarHBondContact CG-OG1 3.41Å; E49-T52 PolarHBondContact O-N 3.23Å; E49-T52 WeakPolarHBondContact OE2-CB 3.44Å; E49-T52 WeakPolarHBondContact OE2-CG2 3.45Å; E49-T52 PolarHBondContact OE2-OG1 3.13Å; E49-L53 PolarHBondContact O-N 2.81Å; E49-K54 PolarHBondContact N-O 2.92Å; E49-K54 PolarHBondContact O-N 2.88Å; E49-M56 HydrophobicContact CB-CE 3.98Å
50	E	84.6	Confident	86.2	Confident	79 Å²	79	52.3 Å²	52.3	37%	0.369	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.5	-175.6	-52	-173.1	177.3	0	0	112.9	F48 T52 R121	F48-E50 HydrophobicContact CD1-CG 4.07Å; F48-E50 HydrophobicContact CE1-CB 4.47Å; F48-E50 HydrophobicContact CE1-CG 3.93Å; E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 PolarHBondContact O-N 2.88Å; E50-R121 VanDerWaalsContact CD-NH1 3.27Å; E50-R121 IonicContact OE1-CZ 2.77Å; E50-R121 IonicContact OE1-NH1 3.32Å; E50-R121 IonicContact OE1-NH2 3.89Å; E50-R121 PolarHBondContact OE1-NH2 2.88Å; E50-R121 IonicContact OE2-CZ 2.72Å; E50-R121 IonicContact OE2-NH1 2.9Å; E50-R121 PolarHBondContact OE2-NH1 2.99Å; E50-R121 IonicContact OE2-NH2 2.81Å; E50-R121 PolarHBondContact OE2-NH2 2.98Å
51	S	82.4	Confident	88	Confident	102 Å²	102	55.8 Å²	55.8	71%	0.713	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.7	-178.6	46.1	0	0	0	0	114.6	E49	E49-S51 VanDerWaalsContact C-N 3.29Å; E49-S51 WeakPolarHBondContact CG-OG 3.28Å; E49-S51 PolarHBondContact O-N 2.82Å
52	T	86.4	Confident	89	Confident	54 Å²	54	59.4 Å²	59.4	33%	0.331	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-1.9	179.9	63.6	0	0	0	0	113.6	E49 E50 K54	E49-T52 HydrophobicContact CG-CG2 4.37Å; E49-T52 WeakPolarHBondContact CG-OG1 3.41Å; E49-T52 PolarHBondContact O-N 3.23Å; E49-T52 WeakPolarHBondContact OE2-CB 3.44Å; E49-T52 WeakPolarHBondContact OE2-CG2 3.45Å; E49-T52 PolarHBondContact OE2-OG1 3.13Å; E50-T52 VanDerWaalsContact C-N 3.3Å; E50-T52 PolarHBondContact O-N 2.88Å; T52-K54 PolarHBondContact O-N 3.32Å
53	L	89.8	Confident	89.5	Confident	28 Å²	28	57.3 Å²	57.3	15%	0.147	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.6	-174	-67.7	154.4	0	0	0	112.5	F48 E49 I77 A125	F48-L53 HydrophobicContact CZ-CD2 4.25Å; E49-L53 PolarHBondContact O-N 2.81Å; L53-I77 VanDerWaalsContact O-CB 3.28Å; L53-I77 WeakPolarHBondContact O-CB 3.37Å; L53-I77 WeakPolarHBondContact O-CG1 3.38Å; L53-I77 PolarHBondContact O-N 2.72Å; L53-A125 HydrophobicContact CD1-CB 3.43Å; L53-A125 VanDerWaalsContact CD1-CB 3.43Å; L53-A125 HydrophobicContact CD2-CB 4.04Å; L53-A125 HydrophobicContact CG-CB 4.37Å
54	K	90.6	Very high	89.3	Confident	91 Å²	91	52.3 Å²	52.3	40%	0.396	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.8	-179.3	-72.9	167.4	-171.2	175.7	0	111.4	E49 T52 M56 T74 I75	E49-K54 PolarHBondContact N-O 2.92Å; E49-K54 PolarHBondContact O-N 2.88Å; T52-K54 PolarHBondContact O-N 3.32Å; K54-M56 HydrophobicContact CB-CG 4.44Å; K54-T74 HydrophobicContact CB-CG2 3.9Å; K54-T74 HydrophobicContact CD-CG2 3.96Å; K54-T74 HydrophobicContact CG-CG2 3.91Å; K54-I75 WeakPolarHBondContact CA-O 3.29Å
55	L	93.2	Very high	88.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.4	170.2	176.9	57.8	0	0	0	108.6	Y46 F48 T74 I75 I77 I94 L103 W114 L118	Y46-L55 HydrophobicContact CD1-CD1 3.88Å; Y46-L55 HydrophobicContact CD1-CD2 4.39Å; Y46-L55 HydrophobicContact CD1-CG 3.88Å; Y46-L55 HydrophobicContact CG-CD1 4.43Å; F48-L55 HydrophobicContact CB-CD1 4.23Å; F48-L55 HydrophobicContact CD2-CB 4.48Å; L55-T74 CarbonylContact O-C 3.54Å; L55-T74 WeakPolarHBondContact O-CA 3.23Å; L55-I75 HydrophobicContact CB-CB 4.26Å; L55-I75 HydrophobicContact CD2-CD1 4.24Å; L55-I75 HydrophobicContact CG-CD1 4.49Å; L55-I75 PolarHBondContact N-O 2.8Å; L55-I75 PolarHBondContact O-N 3.25Å; L55-I77 HydrophobicContact CB-CD1 4.04Å; L55-I77 HydrophobicContact CB-CG1 4.23Å; L55-I77 HydrophobicContact CD2-CD1 4.49Å; L55-I94 HydrophobicContact CD2-CD1 3.85Å; L55-L103 HydrophobicContact CD2-CD1 4.49Å; L55-W114 HydrophobicContact CD1-CH2 4.11Å; L55-W114 HydrophobicContact CD1-CZ3 3.65Å; L55-L118 HydrophobicContact CD2-CD1 4.09Å
56	M	92.4	Very high	88.2	Confident	25 Å²	25	57.7 Å²	57.7	12%	0.123	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.5	-172	-65.5	-172.9	-68.8	0	0	111.3	Y46 V47 E49 K54 Y58 P71 K73 T74	Y46-M56 CarbonylContact C-O 3.58Å; Y46-M56 VanDerWaalsContact CA-O 3.3Å; Y46-M56 WeakPolarHBondContact CA-O 3.43Å; V47-M56 PolarHBondContact N-O 3.34Å; V47-M56 PolarHBondContact O-N 2.93Å; E49-M56 HydrophobicContact CB-CE 3.98Å; K54-M56 HydrophobicContact CB-CG 4.44Å; M56-Y58 HydrophobicContact CB-CE2 3.88Å; M56-P71 HydrophobicContact CB-CB 3.91Å; M56-P71 HydrophobicContact CB-CG 4.31Å; M56-P71 HydrophobicContact CG-CB 4.35Å; M56-P71 HydrophobicContact CG-CG 4.2Å; M56-P71 HydrophobicContact SD-CG 4.03Å; M56-K73 CarbonylContact C-O 3.44Å; M56-K73 WeakPolarHBondContact CA-O 3.27Å; M56-T74 HydrophobicContact CG-CG2 4.15Å
57	A	91.8	Very high	87.5	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.2	-179.6	0	0	0	0	0	111.9	H44 Y46 P71 L72 K73	H44-A57 HydrophobicContact CB-CB 4.47Å; Y46-A57 HydrophobicContact CD1-CB 4Å; Y46-A57 HydrophobicContact CE1-CB 3.6Å; Y46-A57 HydrophobicContact CE2-CB 4.37Å; A57-P71 CarbonylContact O-C 3.6Å; A57-P71 WeakPolarHBondContact O-CA 3.37Å; A57-P71 WeakPolarHBondContact O-CB 3.34Å; A57-L72 PolarHBondContact O-N 3.13Å; A57-K73 HydrophobicContact CB-CB 4.08Å; A57-K73 PolarHBondContact N-O 2.9Å
58	Y	92.6	Very high	86.9	Confident	26 Å²	26	69.8 Å²	69.8	10%	0.102	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.3	178.2	-66.7	-89.8	0	0	0	110.5	W45 V47 M56 N60 D63 A64 K69 P71	W45-Y58 PolarHBondContact N-O 2.99Å; W45-Y58 PolarHBondContact O-N 2.9Å; V47-Y58 HydrophobicContact CG2-CD2 4.28Å; V47-Y58 HydrophobicContact CG2-CE2 4.36Å; M56-Y58 HydrophobicContact CB-CE2 3.88Å; Y58-N60 VanDerWaalsContact C-N 3.27Å; Y58-N60 PolarHBondContact O-N 3.08Å; Y58-D63 HydrophobicContact CD1-CB 4.19Å; Y58-A64 HydrophobicContact CD1-CB 4.15Å; Y58-A64 HydrophobicContact CD2-CB 3.57Å; Y58-A64 HydrophobicContact CE2-CB 4.08Å; Y58-A64 HydrophobicContact CG-CB 3.6Å; Y58-K69 HydrophobicContact CE1-CG 4.37Å; Y58-K69 WeakPolarHBondContact CE1-O 3.36Å; Y58-K69 PolarHBondContact OH-O 2.73Å; Y58-P71 HydrophobicContact CE1-CB 4.14Å; Y58-P71 HydrophobicContact CE2-CB 4.18Å
59	R	86	Confident	86.4	Confident	188 Å²	188	74.6 Å²	74.6	71%	0.709	39%	0.393	S	S	*	.	S	Bend	trans	-67.6	-30.5	-176.6	-149.2	-179.2	-168.7	176.7	4.4	112.6	D63 L72	R59-D63 WeakPolarHBondContact CB-OD2 3.34Å; R59-L72 HydrophobicContact CB-CD1 4.03Å; R59-L72 HydrophobicContact CG-CD1 4.38Å
60	N	88.9	Confident	86.3	Confident	46 Å²	46	80.4 Å²	80.4	25%	0.246	42%	0.42	C	S	.	.	S	Bend	trans	-161.7	174.3	-179.7	64.5	72.6	0	0	0	109.5	Y58 M62 D63	Y58-N60 VanDerWaalsContact C-N 3.27Å; Y58-N60 PolarHBondContact O-N 3.08Å; N60-M62 VanDerWaalsContact C-N 3.31Å; N60-M62 PolarHBondContact O-N 2.88Å; N60-M62 VanDerWaalsContact OD1-CA 3.29Å; N60-M62 WeakPolarHBondContact OD1-CA 3.48Å; N60-M62 VanDerWaalsContact OD1-CB 3.23Å; N60-M62 WeakPolarHBondContact OD1-CB 3.39Å; N60-M62 PolarHBondContact OD1-N 2.67Å; N60-D63 VanDerWaalsContact ND2-CG 3.29Å; N60-D63 PolarHBondContact ND2-OD1 2.76Å; N60-D63 PolarHBondContact O-N 2.95Å; N60-D63 PolarHBondContact OD1-N 2.77Å; N60-D63 PolarHBondContact OD1-OD1 3.18Å
61	Q	89.5	Confident	86.4	Confident	112 Å²	112	78.5 Å²	78.5	52%	0.523	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.4	179.7	-173.1	178.8	17.5	0	0	114.6	Y10 W45	Y10-Q61 PolarHBondContact OH-N 3.29Å; W45-Q61 HydrophobicContact CD2-CB 3.81Å; W45-Q61 HydrophobicContact CD2-CG 4.12Å; W45-Q61 HydrophobicContact CE3-CB 3.98Å; W45-Q61 HydrophobicContact CE3-CG 4.41Å; W45-Q61 HydrophobicContact CG-CB 4.24Å; W45-Q61 HydrophobicContact CH2-CB 4.49Å; W45-Q61 HydrophobicContact CH2-CG 4.08Å; W45-Q61 HydrophobicContact CZ2-CB 4.36Å; W45-Q61 HydrophobicContact CZ2-CG 3.77Å; W45-Q61 HydrophobicContact CZ3-CB 4.3Å; W45-Q61 HydrophobicContact CZ3-CG 4.39Å
62	M	85.5	Confident	86.6	Confident	154 Å²	154	78.7 Å²	78.7	76%	0.759	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-41.8	179.1	-56.5	-173.7	179	0	0	111.6	N60 A64 A65 I66	N60-M62 VanDerWaalsContact C-N 3.31Å; N60-M62 PolarHBondContact O-N 2.88Å; N60-M62 VanDerWaalsContact OD1-CA 3.29Å; N60-M62 WeakPolarHBondContact OD1-CA 3.48Å; N60-M62 VanDerWaalsContact OD1-CB 3.23Å; N60-M62 WeakPolarHBondContact OD1-CB 3.39Å; N60-M62 PolarHBondContact OD1-N 2.67Å; M62-A64 PolarHBondContact O-N 3.21Å; M62-A65 WeakPolarHBondContact O-CB 3.48Å; M62-A65 PolarHBondContact O-N 2.94Å; M62-I66 PolarHBondContact O-N 3.28Å
63	D	86	Confident	86.6	Confident	37 Å²	37	80.3 Å²	80.3	20%	0.198	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-56	-39.8	175.4	-71	13.8	0	0	0	111.3	Y58 R59 N60 A65 I66	Y58-D63 HydrophobicContact CD1-CB 4.19Å; R59-D63 WeakPolarHBondContact CB-OD2 3.34Å; N60-D63 VanDerWaalsContact ND2-CG 3.29Å; N60-D63 PolarHBondContact ND2-OD1 2.76Å; N60-D63 PolarHBondContact O-N 2.95Å; N60-D63 PolarHBondContact OD1-N 2.77Å; N60-D63 PolarHBondContact OD1-OD1 3.18Å; D63-A65 PolarHBondContact O-N 2.8Å; D63-I66 PolarHBondContact O-N 2.88Å
64	A	83.8	Confident	86.7	Confident	31 Å²	31	82 Å²	82	26%	0.256	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-72.1	-7.6	177.2	0	0	0	0	0	114.7	V47 Y58 M62	V47-A64 HydrophobicContact CG2-CB 3.97Å; Y58-A64 HydrophobicContact CD1-CB 4.15Å; Y58-A64 HydrophobicContact CD2-CB 3.57Å; Y58-A64 HydrophobicContact CE2-CB 4.08Å; Y58-A64 HydrophobicContact CG-CB 3.6Å; M62-A64 PolarHBondContact O-N 3.21Å
65	A	79.8	Confident	86.7	Confident	80 Å²	80	77.9 Å²	77.9	66%	0.661	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-106	-1	178.4	0	0	0	0	0	113	M62 D63	M62-A65 WeakPolarHBondContact O-CB 3.48Å; M62-A65 PolarHBondContact O-N 2.94Å; D63-A65 PolarHBondContact O-N 2.8Å
66	I	81.8	Confident	86.6	Confident	93 Å²	93	80.6 Å²	80.6	48%	0.477	42%	0.418	S	S	.	.	S	Bend	trans	-86.4	122.6	174.2	-62.5	169.9	0	0	0	108.2	M62 D63 K69	M62-I66 PolarHBondContact O-N 3.28Å; D63-I66 PolarHBondContact O-N 2.88Å; I66-K69 HydrophobicContact CB-CB 3.93Å; I66-K69 HydrophobicContact CG2-CB 4.04Å; I66-K69 WeakPolarHBondContact O-CB 3.46Å; I66-K69 PolarHBondContact O-N 2.85Å
67	P	78.3	Confident	86.5	Confident	105 Å²	105	79.4 Å²	79.4	68%	0.682	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	144.9	171.9	-24.5	34.8	0	0	0	111.7	K69	P67-K69 PolarHBondContact O-N 2.88Å
68	D	80.1	Confident	86.1	Confident	168 Å²	168	83.8 Å²	83.8	90%	0.898	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	15	176.5	-45.6	-40.8	0	0	0	115.3	E70	D68-E70 PolarHBondContact O-N 3.07Å
69	K	82.4	Confident	85.6	Confident	101 Å²	101	85.1 Å²	85.1	44%	0.439	45%	0.454	S	S	.	.			trans	-76.5	115.6	174.6	-174.2	58.6	176.6	173.5	0	110.9	Y58 I66 P67	Y58-K69 HydrophobicContact CE1-CG 4.37Å; Y58-K69 WeakPolarHBondContact CE1-O 3.36Å; Y58-K69 PolarHBondContact OH-O 2.73Å; I66-K69 HydrophobicContact CB-CB 3.93Å; I66-K69 HydrophobicContact CG2-CB 4.04Å; I66-K69 WeakPolarHBondContact O-CB 3.46Å; I66-K69 PolarHBondContact O-N 2.85Å; P67-K69 PolarHBondContact O-N 2.88Å
70	E	85.8	Confident	85.6	Confident	167 Å²	167	76.2 Å²	76.2	78%	0.78	42%	0.42	S	S	*	.			trans	-59.7	135.1	174.7	-65.1	-168.9	139.6	0	0	112.2	D68	D68-E70 PolarHBondContact O-N 3.07Å
71	P	88.3	Confident	85.5	Confident	40 Å²	40	78 Å²	78	26%	0.26	43%	0.433	S	S	.	.			trans	-77	150.4	175.4	32.7	-35.7	0	0	0	112	M56 A57 Y58 K73 T74	M56-P71 HydrophobicContact CB-CB 3.91Å; M56-P71 HydrophobicContact CB-CG 4.31Å; M56-P71 HydrophobicContact CG-CB 4.35Å; M56-P71 HydrophobicContact CG-CG 4.2Å; M56-P71 HydrophobicContact SD-CG 4.03Å; A57-P71 CarbonylContact O-C 3.6Å; A57-P71 WeakPolarHBondContact O-CA 3.37Å; A57-P71 WeakPolarHBondContact O-CB 3.34Å; Y58-P71 HydrophobicContact CE1-CB 4.14Å; Y58-P71 HydrophobicContact CE2-CB 4.18Å; P71-K73 VanDerWaalsContact C-N 3.28Å; P71-K73 PolarHBondContact O-N 2.75Å; P71-T74 WeakPolarHBondContact CG-OG1 3.39Å
72	L	86.3	Confident	85.6	Confident	106 Å²	106	74.1 Å²	74.1	56%	0.555	41%	0.414	S	S	*	.	S	Bend	trans	-65.7	-29.4	176.6	-62.8	173.4	0	0	0	113.1	A57 R59	A57-L72 PolarHBondContact O-N 3.13Å; R59-L72 HydrophobicContact CB-CD1 4.03Å; R59-L72 HydrophobicContact CG-CD1 4.38Å
73	K	86.5	Confident	85.6	Confident	88 Å²	88	71.7 Å²	71.7	38%	0.383	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	142.8	-179.9	-166.3	172.4	-176.4	-176.5	0	109.4	M56 A57 P71 H101	M56-K73 CarbonylContact C-O 3.44Å; M56-K73 WeakPolarHBondContact CA-O 3.27Å; A57-K73 HydrophobicContact CB-CB 4.08Å; A57-K73 PolarHBondContact N-O 2.9Å; P71-K73 VanDerWaalsContact C-N 3.28Å; P71-K73 PolarHBondContact O-N 2.75Å; K73-H101 WeakPolarHBondContact CE-CE1 3.2Å; K73-H101 WeakPolarHBondContact CE-ND1 3.13Å; K73-H101 PolarHBondContact NZ-ND1 2.86Å
74	T	90.4	Very high	85.5	Confident	64 Å²	64	73.3 Å²	73.3	39%	0.393	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.7	175.7	-59.7	0	0	0	0	109.4	K54 L55 M56 P71	K54-T74 HydrophobicContact CB-CG2 3.9Å; K54-T74 HydrophobicContact CD-CG2 3.96Å; K54-T74 HydrophobicContact CG-CG2 3.91Å; L55-T74 CarbonylContact O-C 3.54Å; L55-T74 WeakPolarHBondContact O-CA 3.23Å; M56-T74 HydrophobicContact CG-CG2 4.15Å; P71-T74 WeakPolarHBondContact CG-OG1 3.39Å
75	I	90.9	Very high	85.1	Confident	4 Å²	4	75.6 Å²	75.6	2%	0.021	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.3	179.3	-41.7	178.6	0	0	0	107.9	Y46 K54 L55 I77 I94 H101	Y46-I75 HydrophobicContact CE1-CD1 4.47Å; K54-I75 WeakPolarHBondContact CA-O 3.29Å; L55-I75 HydrophobicContact CB-CB 4.26Å; L55-I75 HydrophobicContact CD2-CD1 4.24Å; L55-I75 HydrophobicContact CG-CD1 4.49Å; L55-I75 PolarHBondContact N-O 2.8Å; L55-I75 PolarHBondContact O-N 3.25Å; I75-I77 HydrophobicContact CG2-CD1 4.47Å; I75-I94 HydrophobicContact CG2-CG2 4.36Å; I75-H101 HydrophobicContact CD1-CB 4.14Å; I75-H101 WeakPolarHBondContact CD1-ND1 3.11Å; I75-H101 WeakPolarHBondContact CG1-ND1 3.49Å
76	N	90.6	Very high	84.7	Confident	56 Å²	56	77.9 Å²	77.9	30%	0.299	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.3	173.5	-177.4	4.8	0	0	0	109.7	H78 S96	N76-H78 WeakPolarHBondContact OD1-CB 3.25Å; N76-H78 PolarHBondContact OD1-N 3.25Å; N76-S96 WeakPolarHBondContact O-CB 3.49Å; N76-S96 PolarHBondContact O-OG 2.84Å
77	I	92	Very high	84	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	43%	0.432	C	S	.	.			trans	-93.7	-21.1	179.9	-58.6	-52.9	0	0	0	112.2	F48 L53 L55 I75 G79 A80 F82 I94 L118 R122	F48-I77 HydrophobicContact CD2-CG1 4.32Å; F48-I77 HydrophobicContact CE2-CB 4.31Å; F48-I77 HydrophobicContact CE2-CG1 3.88Å; L53-I77 VanDerWaalsContact O-CB 3.28Å; L53-I77 WeakPolarHBondContact O-CB 3.37Å; L53-I77 WeakPolarHBondContact O-CG1 3.38Å; L53-I77 PolarHBondContact O-N 2.72Å; L55-I77 HydrophobicContact CB-CD1 4.04Å; L55-I77 HydrophobicContact CB-CG1 4.23Å; L55-I77 HydrophobicContact CD2-CD1 4.49Å; I75-I77 HydrophobicContact CG2-CD1 4.47Å; I77-G79 VanDerWaalsContact C-N 3.34Å; I77-G79 PolarHBondContact O-N 2.79Å; I77-A80 VanDerWaalsContact O-CB 3.32Å; I77-A80 WeakPolarHBondContact O-CB 3.3Å; I77-A80 PolarHBondContact O-N 3.44Å; I77-F82 HydrophobicContact CG2-CZ 4.23Å; I77-I94 HydrophobicContact CD1-CG2 4.5Å; I77-L118 HydrophobicContact CD1-CD2 4.34Å; I77-L118 HydrophobicContact CG1-CD2 4.23Å; I77-R122 HydrophobicContact CG2-CB 4.04Å; I77-R122 HydrophobicContact CG2-CG 4.45Å; I77-R122 WeakPolarHBondContact O-CG 2.93Å
78	H	83.4	Confident	83.8	Confident	93 Å²	93	75.9 Å²	75.9	43%	0.431	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40	-172.3	-168.4	-34.4	0	0	0	113.6	N76	N76-H78 WeakPolarHBondContact OD1-CB 3.25Å; N76-H78 PolarHBondContact OD1-N 3.25Å
79	G	80.7	Confident	83.7	Confident	55 Å²	55	74.8 Å²	74.8	57%	0.567	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	7.7	176.7	0	0	0	0	0	114.6	I77	I77-G79 VanDerWaalsContact C-N 3.34Å; I77-G79 PolarHBondContact O-N 2.79Å
80	A	87.2	Confident	83.9	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	40%	0.396	C	S	.	.			trans	-76.1	145	-164.4	0	0	0	0	0	114.2	I77 F82 I94 I95 R122	I77-A80 VanDerWaalsContact O-CB 3.32Å; I77-A80 WeakPolarHBondContact O-CB 3.3Å; I77-A80 PolarHBondContact O-N 3.44Å; A80-F82 HydrophobicContact CB-CE2 4.4Å; A80-F82 HydrophobicContact CB-CZ 4.23Å; A80-I94 HydrophobicContact CB-CG2 3.84Å; A80-I95 VanDerWaalsContact CA-O 3.31Å; A80-I95 WeakPolarHBondContact CA-O 3.42Å; A80-R122 WeakPolarHBondContact O-CD 3.3Å; A80-R122 PolarHBondContact O-NH1 2.75Å
81	V	86.6	Confident	84.1	Confident	83 Å²	83	64.9 Å²	64.9	50%	0.503	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.4	167.9	-178.8	0	0	0	0	108.5	I94 I95	V81-I94 WeakPolarHBondContact O-CA 3.37Å; V81-I95 HydrophobicContact CB-CB 4.4Å; V81-I95 PolarHBondContact N-O 3.14Å; V81-I95 PolarHBondContact O-N 3.33Å
82	F	91.2	Very high	84.2	Confident	31 Å²	31	63.1 Å²	63.1	14%	0.136	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.1	-177.9	-56.5	-89.6	0	0	0	110.2	I77 A80 S93 I94 L115 L118 Q119	I77-F82 HydrophobicContact CG2-CZ 4.23Å; A80-F82 HydrophobicContact CB-CE2 4.4Å; A80-F82 HydrophobicContact CB-CZ 4.23Å; F82-S93 WeakPolarHBondContact CA-O 3.22Å; F82-I94 HydrophobicContact CD1-CG1 4.01Å; F82-I94 HydrophobicContact CD1-CG2 4.36Å; F82-I94 HydrophobicContact CE1-CD1 4.21Å; F82-I94 HydrophobicContact CE1-CG1 4.1Å; F82-I94 HydrophobicContact CE1-CG2 4.12Å; F82-L115 HydrophobicContact CB-CD2 4Å; F82-L115 HydrophobicContact CD1-CD2 3.96Å; F82-L115 HydrophobicContact CG-CD2 4.29Å; F82-L118 HydrophobicContact CE1-CB 3.77Å; F82-L118 HydrophobicContact CE1-CD1 4.14Å; F82-L118 HydrophobicContact CZ-CB 3.76Å; F82-Q119 HydrophobicContact CD2-CG 3.49Å; F82-Q119 VanDerWaalsContact CD2-CG 3.49Å; F82-Q119 HydrophobicContact CE2-CG 3.7Å; F82-Q119 HydrophobicContact CG-CG 4.01Å; F82-Q119 HydrophobicContact CZ-CG 4.38Å
83	H	85.7	Confident	84.4	Confident	103 Å²	103	58.4 Å²	58.4	48%	0.477	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.9	178.4	-176.7	63.7	0	0	0	111.4	F92 S93	H83-F92 WeakPolarHBondContact O-CA 3.41Å; H83-S93 PolarHBondContact N-O 3.36Å; H83-S93 PolarHBondContact O-N 3.42Å
84	I	84.8	Confident	84.7	Confident	72 Å²	72	54.2 Å²	54.2	37%	0.369	31%	0.309	S	S	.	.			trans	-138.5	129.6	177.7	-44.9	173.5	0	0	0	106	M111 L115	I84-M111 HydrophobicContact CG2-CE 4.4Å; I84-M111 HydrophobicContact CG2-SD 4.41Å; I84-L115 HydrophobicContact CD1-CD1 3.56Å; I84-L115 HydrophobicContact CG1-CD1 3.84Å
85	D	74.4	Confident	84.6	Confident	78 Å²	78	54.5 Å²	54.5	42%	0.417	31%	0.307	S	S	.	.			trans	-92.7	120.4	169	-171.6	-26.1	0	0	0	108.7	A87 E88	D85-A87 PolarHBondContact O-N 3Å; D85-A87 WeakPolarHBondContact OD1-CB 3.41Å; D85-A87 PolarHBondContact OD1-N 3.07Å; D85-E88 HydrophobicContact CB-CB 4.45Å; D85-E88 PolarHBondContact O-N 2.93Å; D85-E88 VanDerWaalsContact O-N 3.14Å
86	P	71.3	Confident	84.4	Confident	129 Å²	129	54.5 Å²	54.5	84%	0.838	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.8	176.3	-24.4	35	0	0	0	115.4
87	A	66.7	Low	84	Confident	76 Å²	76	57.6 Å²	57.6	63%	0.628	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-19.8	176.8	0	0	0	0	0	114.7	D85	D85-A87 PolarHBondContact O-N 3Å; D85-A87 WeakPolarHBondContact OD1-CB 3.41Å; D85-A87 PolarHBondContact OD1-N 3.07Å
88	E	75.3	Confident	83.1	Confident	79 Å²	79	61.5 Å²	61.5	37%	0.369	36%	0.364	S	S	.	.	S	Bend	trans	-108.7	94.7	-172.1	-72.8	-92.2	127.9	0	0	111.8	K14 D85 N90 Q91	K14-E88 IonicContact NZ-OE2 2.98Å; K14-E88 PolarHBondContact NZ-OE2 2.85Å; D85-E88 HydrophobicContact CB-CB 4.45Å; D85-E88 PolarHBondContact O-N 2.93Å; D85-E88 VanDerWaalsContact O-N 3.14Å; E88-N90 PolarHBondContact O-N 3Å; E88-Q91 HydrophobicContact CB-CB 3.99Å; E88-Q91 PolarHBondContact O-N 3.46Å; E88-Q91 PolarHBondContact OE2-NE2 3.08Å; E88-Q91 PolarHBondContact OE2-OE1 2.92Å
89	H	77.3	Confident	82.7	Confident	146 Å²	146	63.8 Å²	63.8	68%	0.676	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133.8	-177.4	-66.6	-63	0	0	0	113.9	Q91 Q104	H89-Q91 PolarHBondContact O-N 3.22Å; H89-Q104 PolarHBondContact O-NE2 2.8Å
90	N	86.1	Confident	83	Confident	40 Å²	40	64.4 Å²	64.4	21%	0.214	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	13.7	-179.6	-48.6	-12.4	0	0	0	115.4	E88 Q104 A105 E106 T107 E108	E88-N90 PolarHBondContact O-N 3Å; N90-Q104 HydrophobicContact CB-CG 4.23Å; N90-Q104 WeakPolarHBondContact O-CA 3.4Å; N90-Q104 WeakPolarHBondContact O-CG 3.24Å; N90-A105 WeakPolarHBondContact CB-O 3.31Å; N90-A105 PolarHBondContact O-N 3.41Å; N90-E106 PolarHBondContact ND2-O 3.1Å; N90-T107 WeakPolarHBondContact ND2-CA 3.22Å; N90-E108 WeakPolarHBondContact OD1-CA 3.43Å; N90-E108 PolarHBondContact OD1-N 3.15Å; N90-E108 VanDerWaalsContact OD1-N 3.1Å
91	Q	89.5	Confident	83	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.093	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.6	-177.1	-174.2	172.9	-95	0	0	113	K14 E88 H89 I102 L103 Q104 M111	K14-Q91 VanDerWaalsContact CD-OE1 3.3Å; E88-Q91 HydrophobicContact CB-CB 3.99Å; E88-Q91 PolarHBondContact O-N 3.46Å; E88-Q91 PolarHBondContact OE2-NE2 3.08Å; E88-Q91 PolarHBondContact OE2-OE1 2.92Å; H89-Q91 PolarHBondContact O-N 3.22Å; Q91-I102 HydrophobicContact CG-CG2 3.72Å; Q91-L103 WeakPolarHBondContact CA-O 3.19Å; Q91-Q104 HydrophobicContact CB-CG 4.5Å; Q91-M111 PolarHBondContact N-SD 2.84Å; Q91-M111 VanDerWaalsContact O-SD 3.41Å
92	F	91.9	Very high	83.1	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.013	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.9	174.4	63.8	-75.1	0	0	0	110.5	L11 H83 I94 L103 M111 W114 L115	L11-F92 HydrophobicContact CD1-CZ 4.05Å; L11-F92 HydrophobicContact CD2-CE1 4.31Å; L11-F92 HydrophobicContact CD2-CZ 4.48Å; H83-F92 WeakPolarHBondContact O-CA 3.41Å; F92-I94 HydrophobicContact CD2-CG1 4.26Å; F92-I94 HydrophobicContact CE2-CD1 4.18Å; F92-I94 HydrophobicContact CE2-CG1 4.2Å; F92-L103 HydrophobicContact CD1-CB 4.33Å; F92-L103 WeakPolarHBondContact CD1-O 3.41Å; F92-L103 HydrophobicContact CE1-CB 3.88Å; F92-L103 HydrophobicContact CE2-CB 4.12Å; F92-L103 HydrophobicContact CE2-CD1 3.98Å; F92-L103 HydrophobicContact CZ-CB 3.77Å; F92-L103 HydrophobicContact CZ-CD1 4.04Å; F92-L103 PolarHBondContact N-O 2.82Å; F92-L103 PolarHBondContact O-N 3.04Å; F92-M111 HydrophobicContact CB-CG 4.35Å; F92-M111 HydrophobicContact CD1-CG 3.79Å; F92-M111 HydrophobicContact CE1-CG 4.49Å; F92-M111 HydrophobicContact CG-CG 4.36Å; F92-W114 HydrophobicContact CZ-CB 4.03Å; F92-W114 HydrophobicContact CZ-CG 4.41Å; F92-L115 HydrophobicContact CB-CD1 4.05Å; F92-L115 HydrophobicContact CB-CD2 4.08Å; F92-L115 HydrophobicContact CB-CG 4.29Å; F92-L115 HydrophobicContact CD2-CD2 3.72Å; F92-L115 HydrophobicContact CD2-CG 4.12Å; F92-L115 HydrophobicContact CE2-CD2 4.45Å; F92-L115 HydrophobicContact CG-CD1 4.4Å; F92-L115 HydrophobicContact CG-CD2 4.13Å; F92-L115 HydrophobicContact CG-CG 4.21Å
93	S	90.1	Very high	83.1	Confident	6 Å²	6	60.3 Å²	60.3	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.4	171.9	78.6	0	0	0	0	112.5	F82 H83 E100 H101	F82-S93 WeakPolarHBondContact CA-O 3.22Å; H83-S93 PolarHBondContact N-O 3.36Å; H83-S93 PolarHBondContact O-N 3.42Å; S93-E100 WeakPolarHBondContact CB-OE1 3.26Å; S93-E100 PolarHBondContact OG-OE1 2.83Å; S93-H101 WeakPolarHBondContact CA-O 3.42Å
94	I	92	Very high	83.4	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.1	174.1	-48.8	179.7	0	0	0	107.2	L55 I75 I77 A80 V81 F82 F92 E100 H101 L103 L118	L55-I94 HydrophobicContact CD2-CD1 3.85Å; I75-I94 HydrophobicContact CG2-CG2 4.36Å; I77-I94 HydrophobicContact CD1-CG2 4.5Å; A80-I94 HydrophobicContact CB-CG2 3.84Å; V81-I94 WeakPolarHBondContact O-CA 3.37Å; F82-I94 HydrophobicContact CD1-CG1 4.01Å; F82-I94 HydrophobicContact CD1-CG2 4.36Å; F82-I94 HydrophobicContact CE1-CD1 4.21Å; F82-I94 HydrophobicContact CE1-CG1 4.1Å; F82-I94 HydrophobicContact CE1-CG2 4.12Å; F92-I94 HydrophobicContact CD2-CG1 4.26Å; F92-I94 HydrophobicContact CE2-CD1 4.18Å; F92-I94 HydrophobicContact CE2-CG1 4.2Å; I94-E100 CarbonylContact O-C 3.51Å; I94-H101 HydrophobicContact CB-CB 4.39Å; I94-H101 PolarHBondContact N-O 3.31Å; I94-H101 WeakPolarHBondContact O-CB 3.31Å; I94-H101 PolarHBondContact O-N 2.91Å; I94-L103 HydrophobicContact CD1-CD1 3.84Å; I94-L103 HydrophobicContact CG1-CD1 4.37Å; I94-L118 HydrophobicContact CD1-CD1 4.11Å
95	I	88.4	Confident	83.6	Confident	70 Å²	70	54.6 Å²	54.6	36%	0.359	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.9	172.3	-56.5	173.8	0	0	0	107.8	A80 V81 K99 E100	A80-I95 VanDerWaalsContact CA-O 3.31Å; A80-I95 WeakPolarHBondContact CA-O 3.42Å; V81-I95 HydrophobicContact CB-CB 4.4Å; V81-I95 PolarHBondContact N-O 3.14Å; V81-I95 PolarHBondContact O-N 3.33Å; I95-K99 CarbonylContact C-O 3.58Å; I95-K99 WeakPolarHBondContact CA-O 3.21Å; I95-E100 HydrophobicContact CG1-CB 4.2Å; I95-E100 HydrophobicContact CG1-CG 4.1Å
96	S	88	Confident	84.1	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.028	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143	178.8	-170	0	0	0	0	110.4	N76 G98 K99	N76-S96 WeakPolarHBondContact O-CB 3.49Å; N76-S96 PolarHBondContact O-OG 2.84Å; S96-G98 PolarHBondContact O-N 3.14Å; S96-K99 PolarHBondContact N-O 2.79Å; S96-K99 PolarHBondContact O-N 3.36Å; S96-K99 VanDerWaalsContact O-O 3.08Å
97	D	80.6	Confident	84.8	Confident	122 Å²	122	53.7 Å²	53.7	65%	0.652	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	38	178.1	-52.3	-39.9	0	0	0	114	K99	D97-K99 VanDerWaalsContact C-N 3.32Å; D97-K99 PolarHBondContact O-N 3.07Å
98	G	74.9	Confident	85.7	Confident	81 Å²	81	55.5 Å²	55.5	84%	0.835	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	8.2	-178.9	0	0	0	0	0	115.9	S96	S96-G98 PolarHBondContact O-N 3.14Å
99	K	74.9	Confident	86.1	Confident	142 Å²	142	57.9 Å²	57.9	62%	0.617	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.7	-178.4	-66.6	167.8	-174.7	166.9	0	110.8	I95 S96 D97 H101	I95-K99 CarbonylContact C-O 3.58Å; I95-K99 WeakPolarHBondContact CA-O 3.21Å; S96-K99 PolarHBondContact N-O 2.79Å; S96-K99 PolarHBondContact O-N 3.36Å; S96-K99 VanDerWaalsContact O-O 3.08Å; D97-K99 VanDerWaalsContact C-N 3.32Å; D97-K99 PolarHBondContact O-N 3.07Å; K99-H101 PolarHBondContact O-CD2 2.78Å
100	E	86.4	Confident	86.6	Confident	68 Å²	68	52.3 Å²	52.3	32%	0.318	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.2	169.3	-172.7	169.8	-144.5	0	0	111	T16 S93 I94 I95 I102	T16-E100 WeakPolarHBondContact CB-O 3.26Å; T16-E100 VanDerWaalsContact CG2-O 3.29Å; T16-E100 WeakPolarHBondContact CG2-O 3.26Å; T16-E100 PolarHBondContact OG1-O 3.36Å; S93-E100 WeakPolarHBondContact CB-OE1 3.26Å; S93-E100 PolarHBondContact OG-OE1 2.83Å; I94-E100 CarbonylContact O-C 3.51Å; I95-E100 HydrophobicContact CG1-CB 4.2Å; I95-E100 HydrophobicContact CG1-CG 4.1Å; E100-I102 HydrophobicContact CG-CG1 4.19Å
101	H	87.6	Confident	86.9	Confident	17 Å²	17	51 Å²	51	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	101.2	178.8	-65.8	-132.2	0	0	0	108.7	K73 I75 S93 I94 K99	K73-H101 WeakPolarHBondContact CE-CE1 3.2Å; K73-H101 WeakPolarHBondContact CE-ND1 3.13Å; K73-H101 PolarHBondContact NZ-ND1 2.86Å; I75-H101 HydrophobicContact CD1-CB 4.14Å; I75-H101 WeakPolarHBondContact CD1-ND1 3.11Å; I75-H101 WeakPolarHBondContact CG1-ND1 3.49Å; S93-H101 WeakPolarHBondContact CA-O 3.42Å; I94-H101 HydrophobicContact CB-CB 4.39Å; I94-H101 PolarHBondContact N-O 3.31Å; I94-H101 WeakPolarHBondContact O-CB 3.31Å; I94-H101 PolarHBondContact O-N 2.91Å; K99-H101 PolarHBondContact O-CD2 2.78Å
102	I	88.8	Confident	86.8	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.8	-178.9	-59.6	169.6	0	0	0	109.9	K14 T16 Q91 E100 N702	K14-I102 HydrophobicContact CB-CB 4.15Å; K14-I102 HydrophobicContact CB-CG2 4.05Å; K14-I102 HydrophobicContact CD-CG2 4.1Å; K14-I102 HydrophobicContact CG-CG2 4.44Å; K14-I102 PolarHBondContact N-O 2.71Å; K14-I102 VanDerWaalsContact N-O 3.13Å; T16-I102 HydrophobicContact CG2-CB 4Å; T16-I102 HydrophobicContact CG2-CD1 4.01Å; T16-I102 HydrophobicContact CG2-CG1 3.71Å; T16-I102 VanDerWaalsContact CG2-N 3.34Å; Q91-I102 HydrophobicContact CG-CG2 3.72Å; E100-I102 HydrophobicContact CG-CG1 4.19Å; I102-N702 VanDerWaalsContact CD1-OD1 3.25Å; I102-N702 WeakPolarHBondContact CD1-OD1 3.49Å
103	L	91.1	Very high	86.6	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.7	-175.2	-60.4	173.7	0	0	0	109.9	L11 N12 Y46 L55 Q91 F92 I94	L11-L103 HydrophobicContact CD1-CB 4.4Å; L11-L103 HydrophobicContact CD1-CD1 4.06Å; N12-L103 WeakPolarHBondContact O-CA 3.33Å; Y46-L103 HydrophobicContact CE1-CD2 4.39Å; Y46-L103 HydrophobicContact CE2-CD2 4.16Å; Y46-L103 WeakPolarHBondContact OH-CD2 3.22Å; L55-L103 HydrophobicContact CD2-CD1 4.49Å; Q91-L103 WeakPolarHBondContact CA-O 3.19Å; F92-L103 HydrophobicContact CD1-CB 4.33Å; F92-L103 WeakPolarHBondContact CD1-O 3.41Å; F92-L103 HydrophobicContact CE1-CB 3.88Å; F92-L103 HydrophobicContact CE2-CB 4.12Å; F92-L103 HydrophobicContact CE2-CD1 3.98Å; F92-L103 HydrophobicContact CZ-CB 3.77Å; F92-L103 HydrophobicContact CZ-CD1 4.04Å; F92-L103 PolarHBondContact N-O 2.82Å; F92-L103 PolarHBondContact O-N 3.04Å; I94-L103 HydrophobicContact CD1-CD1 3.84Å; I94-L103 HydrophobicContact CG1-CD1 4.37Å
104	Q	90.8	Very high	86.7	Confident	48 Å²	48	59.1 Å²	59.1	22%	0.224	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.6	175.7	-173.2	-174	40.2	0	0	110.6	N12 H89 N90 Q91	N12-Q104 HydrophobicContact CB-CB 4.03Å; N12-Q104 PolarHBondContact N-O 3.33Å; N12-Q104 PolarHBondContact O-N 3.02Å; H89-Q104 PolarHBondContact O-NE2 2.8Å; N90-Q104 HydrophobicContact CB-CG 4.23Å; N90-Q104 WeakPolarHBondContact O-CA 3.4Å; N90-Q104 WeakPolarHBondContact O-CG 3.24Å; Q91-Q104 HydrophobicContact CB-CG 4.5Å
105	A	90	Very high	86.6	Confident	7 Å²	7	59.4 Å²	59.4	6%	0.058	32%	0.323	C	S	.	.			trans	-98.5	165.3	178.2	0	0	0	0	0	112.3	L11 N90 A110 M111	L11-A105 HydrophobicContact CD2-CB 3.93Å; N90-A105 WeakPolarHBondContact CB-O 3.31Å; N90-A105 PolarHBondContact O-N 3.41Å; A105-A110 HydrophobicContact CB-CB 4.1Å; A105-M111 HydrophobicContact CB-CB 4.02Å
106	E	84.1	Confident	86.6	Confident	123 Å²	123	61.8 Å²	61.8	58%	0.575	33%	0.332	S	S	*	.	S	Bend	trans	-72	-27.8	-179.3	-63.5	-177.9	-178.3	0	0	112.9	R43 N90	R43-E106 IonicContact CZ-OE1 3.2Å; R43-E106 IonicContact NE-OE1 2.74Å; R43-E106 IonicContact NH2-OE1 3.71Å; R43-E106 PolarHBondContact NH2-OE1 2.79Å; N90-E106 PolarHBondContact ND2-O 3.1Å
107	T	86.6	Confident	86.6	Confident	66 Å²	66	63.1 Å²	63.1	41%	0.405	34%	0.34	S	S	.	.	S	Bend	trans	-142.3	162.8	175.1	66	0	0	0	0	111.7	N90 A110 M111	N90-T107 WeakPolarHBondContact ND2-CA 3.22Å; T107-A110 WeakPolarHBondContact O-CB 3.44Å; T107-A110 PolarHBondContact O-N 2.82Å; T107-A110 WeakPolarHBondContact OG1-CB 3.47Å; T107-A110 PolarHBondContact OG1-N 2.94Å; T107-M111 PolarHBondContact O-N 2.81Å
108	E	84.9	Confident	87.1	Confident	113 Å²	113	57.3 Å²	57.3	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-43	174.8	-166.7	174.7	173	0	0	111.4	N90 A110 M111 L112	N90-E108 WeakPolarHBondContact OD1-CA 3.43Å; N90-E108 PolarHBondContact OD1-N 3.15Å; N90-E108 VanDerWaalsContact OD1-N 3.1Å; E108-A110 VanDerWaalsContact C-N 3.26Å; E108-A110 PolarHBondContact O-N 2.91Å; E108-M111 HydrophobicContact CG-CE 4.05Å; E108-M111 WeakPolarHBondContact O-CB 3.4Å; E108-M111 PolarHBondContact O-N 2.8Å; E108-M111 VanDerWaalsContact O-N 3.14Å; E108-L112 HydrophobicContact CG-CD1 4.33Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.14Å
109	D	84.3	Confident	87.8	Confident	130 Å²	130	57.2 Å²	57.2	70%	0.695	29%	0.287	S	S	*	.	H	α-helix	trans	-55.1	-41.3	172.6	-61.5	-48.5	0	0	0	112.3	L112 L113	D109-L112 PolarHBondContact O-N 2.84Å; D109-L113 WeakPolarHBondContact O-CB 3.5Å; D109-L113 PolarHBondContact O-N 2.87Å
110	A	87.5	Confident	88.4	Confident	29 Å²	29	52.6 Å²	52.6	24%	0.24	27%	0.271	C	S	.	.	H	α-helix	trans	-70.1	-39.4	178.9	0	0	0	0	0	111.8	A105 T107 E108 L113 W114	A105-A110 HydrophobicContact CB-CB 4.1Å; T107-A110 WeakPolarHBondContact O-CB 3.44Å; T107-A110 PolarHBondContact O-N 2.82Å; T107-A110 WeakPolarHBondContact OG1-CB 3.47Å; T107-A110 PolarHBondContact OG1-N 2.94Å; E108-A110 VanDerWaalsContact C-N 3.26Å; E108-A110 PolarHBondContact O-N 2.91Å; A110-L113 PolarHBondContact O-N 2.66Å; A110-W114 VanDerWaalsContact O-CD1 3.22Å; A110-W114 PolarHBondContact O-N 3.33Å
111	M	91.9	Very high	88.5	Confident	11 Å²	11	52.9 Å²	52.9	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-49.1	172.1	173.7	-175.4	76.1	0	0	111.1	I84 Q91 F92 A105 T107 E108 L113 W114 L115	I84-M111 HydrophobicContact CG2-CE 4.4Å; I84-M111 HydrophobicContact CG2-SD 4.41Å; Q91-M111 PolarHBondContact N-SD 2.84Å; Q91-M111 VanDerWaalsContact O-SD 3.41Å; F92-M111 HydrophobicContact CB-CG 4.35Å; F92-M111 HydrophobicContact CD1-CG 3.79Å; F92-M111 HydrophobicContact CE1-CG 4.49Å; F92-M111 HydrophobicContact CG-CG 4.36Å; A105-M111 HydrophobicContact CB-CB 4.02Å; T107-M111 PolarHBondContact O-N 2.81Å; E108-M111 HydrophobicContact CG-CE 4.05Å; E108-M111 WeakPolarHBondContact O-CB 3.4Å; E108-M111 PolarHBondContact O-N 2.8Å; E108-M111 VanDerWaalsContact O-N 3.14Å; M111-L113 VanDerWaalsContact C-N 3.33Å; M111-L113 PolarHBondContact O-N 2.89Å; M111-W114 PolarHBondContact O-N 2.88Å; M111-L115 HydrophobicContact CG-CD1 3.87Å; M111-L115 WeakPolarHBondContact O-CB 3.43Å; M111-L115 WeakPolarHBondContact O-CG 3.21Å; M111-L115 PolarHBondContact O-N 2.87Å
112	L	87.2	Confident	88.6	Confident	86 Å²	86	55.4 Å²	55.4	45%	0.45	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-38.7	179.1	-68	172	0	0	0	111.7	E108 D109 H116	E108-L112 HydrophobicContact CG-CD1 4.33Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.14Å; D109-L112 PolarHBondContact O-N 2.84Å; L112-H116 WeakPolarHBondContact O-CB 3.42Å; L112-H116 PolarHBondContact O-N 2.85Å
113	L	88.7	Confident	88.4	Confident	99 Å²	99	58 Å²	58	52%	0.518	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-47.8	174.4	-177.3	66.6	0	0	0	112.3	D109 A110 M111 L115 H116 V117	D109-L113 WeakPolarHBondContact O-CB 3.5Å; D109-L113 PolarHBondContact O-N 2.87Å; A110-L113 PolarHBondContact O-N 2.66Å; M111-L113 VanDerWaalsContact C-N 3.33Å; M111-L113 PolarHBondContact O-N 2.89Å; L113-L115 PolarHBondContact O-N 2.87Å; L113-H116 PolarHBondContact O-N 2.82Å; L113-V117 HydrophobicContact CD1-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 3.4Å; L113-V117 VanDerWaalsContact O-N 3.09Å
114	W	92.6	Very high	88	Confident	15 Å²	15	62.1 Å²	62.1	6%	0.057	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-48.7	176.7	-88.9	105.1	0	0	0	111.3	L7 L11 L55 F92 A110 M111 L118	L7-W114 HydrophobicContact CD1-CD2 4.29Å; L7-W114 HydrophobicContact CD1-CE3 4.3Å; L7-W114 HydrophobicContact CD2-CD2 4.15Å; L7-W114 HydrophobicContact CD2-CE3 3.38Å; L7-W114 HydrophobicContact CD2-CH2 4.39Å; L7-W114 HydrophobicContact CD2-CZ3 3.52Å; L7-W114 HydrophobicContact CG-CD2 4.22Å; L7-W114 HydrophobicContact CG-CE3 3.76Å; L7-W114 HydrophobicContact CG-CH2 4.01Å; L7-W114 HydrophobicContact CG-CZ2 4.46Å; L7-W114 HydrophobicContact CG-CZ3 3.64Å; L11-W114 HydrophobicContact CD1-CD2 4.07Å; L11-W114 HydrophobicContact CD1-CE3 4.42Å; L11-W114 HydrophobicContact CD1-CH2 4.42Å; L11-W114 HydrophobicContact CD1-CZ2 4.05Å; L11-W114 HydrophobicContact CG-CZ2 4.26Å; L55-W114 HydrophobicContact CD1-CH2 4.11Å; L55-W114 HydrophobicContact CD1-CZ3 3.65Å; F92-W114 HydrophobicContact CZ-CB 4.03Å; F92-W114 HydrophobicContact CZ-CG 4.41Å; A110-W114 VanDerWaalsContact O-CD1 3.22Å; A110-W114 PolarHBondContact O-N 3.33Å; M111-W114 PolarHBondContact O-N 2.88Å; W114-L118 HydrophobicContact CE3-CD1 4.08Å; W114-L118 HydrophobicContact CE3-CG 4.46Å; W114-L118 WeakPolarHBondContact O-CB 3.29Å; W114-L118 VanDerWaalsContact O-CG 3.23Å; W114-L118 WeakPolarHBondContact O-CG 3.34Å; W114-L118 PolarHBondContact O-N 3.39Å; W114-L118 VanDerWaalsContact O-N 3.1Å
115	L	90	Very high	87.4	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-46.8	178.5	-74.9	166.6	0	0	0	112.2	F82 I84 F92 M111 L113 V117 L118 Q119	F82-L115 HydrophobicContact CB-CD2 4Å; F82-L115 HydrophobicContact CD1-CD2 3.96Å; F82-L115 HydrophobicContact CG-CD2 4.29Å; I84-L115 HydrophobicContact CD1-CD1 3.56Å; I84-L115 HydrophobicContact CG1-CD1 3.84Å; F92-L115 HydrophobicContact CB-CD1 4.05Å; F92-L115 HydrophobicContact CB-CD2 4.08Å; F92-L115 HydrophobicContact CB-CG 4.29Å; F92-L115 HydrophobicContact CD2-CD2 3.72Å; F92-L115 HydrophobicContact CD2-CG 4.12Å; F92-L115 HydrophobicContact CE2-CD2 4.45Å; F92-L115 HydrophobicContact CG-CD1 4.4Å; F92-L115 HydrophobicContact CG-CD2 4.13Å; F92-L115 HydrophobicContact CG-CG 4.21Å; M111-L115 HydrophobicContact CG-CD1 3.87Å; M111-L115 WeakPolarHBondContact O-CB 3.43Å; M111-L115 WeakPolarHBondContact O-CG 3.21Å; M111-L115 PolarHBondContact O-N 2.87Å; L113-L115 PolarHBondContact O-N 2.87Å; L115-V117 PolarHBondContact O-N 2.87Å; L115-L118 PolarHBondContact O-N 2.76Å; L115-Q119 VanDerWaalsContact O-CB 3.26Å; L115-Q119 WeakPolarHBondContact O-CB 3.31Å; L115-Q119 VanDerWaalsContact O-CG 3.23Å; L115-Q119 WeakPolarHBondContact O-CG 3.48Å; L115-Q119 PolarHBondContact O-N 2.85Å
116	H	88.1	Confident	86.7	Confident	119 Å²	119	62.5 Å²	62.5	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-60.6	-46.6	-178.5	177.1	54.4	0	0	0	112	L112 L113 T120	L112-H116 WeakPolarHBondContact O-CB 3.42Å; L112-H116 PolarHBondContact O-N 2.85Å; L113-H116 PolarHBondContact O-N 2.82Å; H116-T120 PolarHBondContact CE1-OG1 3.25Å; H116-T120 VanDerWaalsContact O-CB 3.23Å; H116-T120 WeakPolarHBondContact O-CB 3.43Å; H116-T120 PolarHBondContact O-N 2.8Å; H116-T120 PolarHBondContact O-OG1 3.4Å
117	V	87.9	Confident	86	Confident	33 Å²	33	62.9 Å²	62.9	20%	0.2	32%	0.319	C	S	.	.	H	α-helix	trans	-69.3	-44.7	-179.1	178.6	0	0	0	0	111.4	L7 L113 L115 T120 R121	L7-V117 HydrophobicContact CB-CG1 4.46Å; L7-V117 HydrophobicContact CD2-CB 3.89Å; L7-V117 HydrophobicContact CD2-CG1 3.81Å; L113-V117 HydrophobicContact CD1-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 3.4Å; L113-V117 VanDerWaalsContact O-N 3.09Å; L115-V117 PolarHBondContact O-N 2.87Å; V117-T120 PolarHBondContact O-N 3.38Å; V117-R121 HydrophobicContact CG1-CG 4.39Å; V117-R121 WeakPolarHBondContact O-CG 3.21Å; V117-R121 PolarHBondContact O-N 3.48Å
118	L	91.8	Very high	85	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-42	179.5	-68.3	174.4	0	0	0	112.2	L7 F48 L55 I77 F82 I94 W114 L115 R122	L7-L118 HydrophobicContact CD2-CD2 4.3Å; L7-L118 HydrophobicContact CD2-CG 4.26Å; F48-L118 HydrophobicContact CB-CD2 4.41Å; F48-L118 HydrophobicContact CD1-CD2 4.37Å; F48-L118 HydrophobicContact CD2-CD2 3.54Å; F48-L118 HydrophobicContact CE2-CD2 3.8Å; F48-L118 HydrophobicContact CG-CD2 3.86Å; F48-L118 HydrophobicContact CZ-CD2 4.31Å; L55-L118 HydrophobicContact CD2-CD1 4.09Å; I77-L118 HydrophobicContact CD1-CD2 4.34Å; I77-L118 HydrophobicContact CG1-CD2 4.23Å; F82-L118 HydrophobicContact CE1-CB 3.77Å; F82-L118 HydrophobicContact CE1-CD1 4.14Å; F82-L118 HydrophobicContact CZ-CB 3.76Å; I94-L118 HydrophobicContact CD1-CD1 4.11Å; W114-L118 HydrophobicContact CE3-CD1 4.08Å; W114-L118 HydrophobicContact CE3-CG 4.46Å; W114-L118 WeakPolarHBondContact O-CB 3.29Å; W114-L118 VanDerWaalsContact O-CG 3.23Å; W114-L118 WeakPolarHBondContact O-CG 3.34Å; W114-L118 PolarHBondContact O-N 3.39Å; W114-L118 VanDerWaalsContact O-N 3.1Å; L115-L118 PolarHBondContact O-N 2.76Å; L118-R122 WeakPolarHBondContact O-CB 3.44Å; L118-R122 PolarHBondContact O-N 2.88Å; L118-R122 VanDerWaalsContact O-N 3.11Å
119	Q	89.4	Confident	83.5	Confident	78 Å²	78	61.4 Å²	61.4	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-43.8	175	-73.3	177.4	10.1	0	0	111.9	F82 L115 R122 N123	F82-Q119 HydrophobicContact CD2-CG 3.49Å; F82-Q119 VanDerWaalsContact CD2-CG 3.49Å; F82-Q119 HydrophobicContact CE2-CG 3.7Å; F82-Q119 HydrophobicContact CG-CG 4.01Å; F82-Q119 HydrophobicContact CZ-CG 4.38Å; L115-Q119 VanDerWaalsContact O-CB 3.26Å; L115-Q119 WeakPolarHBondContact O-CB 3.31Å; L115-Q119 VanDerWaalsContact O-CG 3.23Å; L115-Q119 WeakPolarHBondContact O-CG 3.48Å; L115-Q119 PolarHBondContact O-N 2.85Å; Q119-R122 PolarHBondContact O-N 2.78Å; Q119-N123 WeakPolarHBondContact O-CB 3.45Å; Q119-N123 PolarHBondContact O-N 2.96Å; Q119-N123 PolarHBondContact O-ND2 2.84Å; Q119-N123 PolarHBondContact O-OD1 3.25Å
120	T	87.6	Confident	81.7	Confident	46 Å²	46	60 Å²	60	28%	0.282	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-51.2	-178.7	-58.6	0	0	0	0	110.8	H116 V117 R122 N123 E124	H116-T120 PolarHBondContact CE1-OG1 3.25Å; H116-T120 VanDerWaalsContact O-CB 3.23Å; H116-T120 WeakPolarHBondContact O-CB 3.43Å; H116-T120 PolarHBondContact O-N 2.8Å; H116-T120 PolarHBondContact O-OG1 3.4Å; V117-T120 PolarHBondContact O-N 3.38Å; T120-R122 VanDerWaalsContact C-N 3.33Å; T120-R122 PolarHBondContact O-N 2.71Å; T120-N123 PolarHBondContact O-N 2.79Å; T120-N123 VanDerWaalsContact O-N 3.08Å; T120-E124 WeakPolarHBondContact CG2-OE1 3.49Å; T120-E124 WeakPolarHBondContact O-CG 3.21Å; T120-E124 PolarHBondContact O-N 3.46Å
121	R	87.4	Confident	79.6	Confident	73 Å²	73	62 Å²	62	28%	0.275	32%	0.322	S	S	.	.	H	α-helix	trans	-67.4	-30.2	-179.9	-61.8	-49.9	-163.6	86.7	15.3	113.5	F48 E50 V117 E124 A125	F48-R121 HydrophobicContact CE1-CB 4.05Å; F48-R121 HydrophobicContact CE1-CG 4.03Å; F48-R121 HydrophobicContact CZ-CB 4.01Å; F48-R121 HydrophobicContact CZ-CG 4.5Å; E50-R121 VanDerWaalsContact CD-NH1 3.27Å; E50-R121 IonicContact OE1-CZ 2.77Å; E50-R121 IonicContact OE1-NH1 3.32Å; E50-R121 IonicContact OE1-NH2 3.89Å; E50-R121 PolarHBondContact OE1-NH2 2.88Å; E50-R121 IonicContact OE2-CZ 2.72Å; E50-R121 IonicContact OE2-NH1 2.9Å; E50-R121 PolarHBondContact OE2-NH1 2.99Å; E50-R121 IonicContact OE2-NH2 2.81Å; E50-R121 PolarHBondContact OE2-NH2 2.98Å; V117-R121 HydrophobicContact CG1-CG 4.39Å; V117-R121 WeakPolarHBondContact O-CG 3.21Å; V117-R121 PolarHBondContact O-N 3.48Å; R121-E124 WeakPolarHBondContact CD-OE2 3.42Å; R121-E124 IonicContact NE-OE2 3.2Å; R121-A125 WeakPolarHBondContact O-CB 3.49Å; R121-A125 PolarHBondContact O-N 3.36Å; R121-A125 VanDerWaalsContact O-N 3.1Å
122	R	90	Very high	76.9	Confident	70 Å²	70	68.4 Å²	68.4	26%	0.264	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-46.6	168.7	-171.7	-160.4	71.9	137.3	18.3	111.4	I77 A80 L118 Q119 T120 A125 V126	I77-R122 HydrophobicContact CG2-CB 4.04Å; I77-R122 HydrophobicContact CG2-CG 4.45Å; I77-R122 WeakPolarHBondContact O-CG 2.93Å; A80-R122 WeakPolarHBondContact O-CD 3.3Å; A80-R122 PolarHBondContact O-NH1 2.75Å; L118-R122 WeakPolarHBondContact O-CB 3.44Å; L118-R122 PolarHBondContact O-N 2.88Å; L118-R122 VanDerWaalsContact O-N 3.11Å; Q119-R122 PolarHBondContact O-N 2.78Å; T120-R122 VanDerWaalsContact C-N 3.33Å; T120-R122 PolarHBondContact O-N 2.71Å; R122-A125 PolarHBondContact O-N 3.25Å; R122-V126 WeakPolarHBondContact O-CG2 3.26Å; R122-V126 PolarHBondContact O-N 2.83Å
123	N	84.5	Confident	74.3	Confident	64 Å²	64	71.4 Å²	71.4	34%	0.342	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-40.2	-177.7	-64.9	-16.8	0	0	0	111.8	Q119 T120 V126 Q127	Q119-N123 WeakPolarHBondContact O-CB 3.45Å; Q119-N123 PolarHBondContact O-N 2.96Å; Q119-N123 PolarHBondContact O-ND2 2.84Å; Q119-N123 PolarHBondContact O-OD1 3.25Å; T120-N123 PolarHBondContact O-N 2.79Å; T120-N123 VanDerWaalsContact O-N 3.08Å; N123-V126 PolarHBondContact O-N 3.28Å; N123-Q127 WeakPolarHBondContact O-CB 3.43Å; N123-Q127 VanDerWaalsContact O-CG 3.32Å; N123-Q127 WeakPolarHBondContact O-CG 3.35Å; N123-Q127 PolarHBondContact O-N 2.85Å
124	E	83.1	Confident	71.5	Confident	87 Å²	87	72 Å²	72	41%	0.407	39%	0.385	S	S	.	.	H	α-helix	trans	-57.1	-47.9	171	-72.3	170.9	-169.9	0	0	111.3	T120 R121 V126 Q127 T128	T120-E124 WeakPolarHBondContact CG2-OE1 3.49Å; T120-E124 WeakPolarHBondContact O-CG 3.21Å; T120-E124 PolarHBondContact O-N 3.46Å; R121-E124 WeakPolarHBondContact CD-OE2 3.42Å; R121-E124 IonicContact NE-OE2 3.2Å; E124-V126 PolarHBondContact O-N 2.83Å; E124-Q127 PolarHBondContact O-N 2.88Å; E124-T128 PolarHBondContact O-N 2.93Å; E124-T128 PolarHBondContact O-OG1 2.9Å
125	A	78.8	Confident	68.5	Low	15 Å²	15	76.7 Å²	76.7	12%	0.124	42%	0.42	C	S	.	.	H	α-helix	trans	-61.9	-42.3	179.7	0	0	0	0	0	113.2	L53 R121 R122 T128 S129	L53-A125 HydrophobicContact CD1-CB 3.43Å; L53-A125 VanDerWaalsContact CD1-CB 3.43Å; L53-A125 HydrophobicContact CD2-CB 4.04Å; L53-A125 HydrophobicContact CG-CB 4.37Å; R121-A125 WeakPolarHBondContact O-CB 3.49Å; R121-A125 PolarHBondContact O-N 3.36Å; R121-A125 VanDerWaalsContact O-N 3.1Å; R122-A125 PolarHBondContact O-N 3.25Å; A125-T128 WeakPolarHBondContact CA-OG1 3.41Å; A125-T128 PolarHBondContact O-N 3.08Å; A125-T128 PolarHBondContact O-OG1 2.95Å; A125-S129 PolarHBondContact O-N 2.92Å
126	V	74.6	Confident	65.9	Low	49 Å²	49	82 Å²	82	30%	0.297	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-46.3	173.9	172.1	0	0	0	0	110.4	R122 N123 E124 T128 S129 E130	R122-V126 WeakPolarHBondContact O-CG2 3.26Å; R122-V126 PolarHBondContact O-N 2.83Å; N123-V126 PolarHBondContact O-N 3.28Å; E124-V126 PolarHBondContact O-N 2.83Å; V126-T128 PolarHBondContact O-N 2.81Å; V126-S129 PolarHBondContact O-N 2.81Å; V126-S129 VanDerWaalsContact O-N 3.09Å; V126-S129 PolarHBondContact O-OG 2.83Å; V126-E130 PolarHBondContact O-N 2.83Å; V126-E130 VanDerWaalsContact O-N 3.07Å
127	Q	69.1	Low	63.2	Low	130 Å²	130	83.1 Å²	83.1	61%	0.607	47%	0.465	S	S	*	.	H	α-helix	trans	-62.4	-39.1	178.3	-73.3	174.1	-6	0	0	112.8	N123 E124 S129 E130 S131	N123-Q127 WeakPolarHBondContact O-CB 3.43Å; N123-Q127 VanDerWaalsContact O-CG 3.32Å; N123-Q127 WeakPolarHBondContact O-CG 3.35Å; N123-Q127 PolarHBondContact O-N 2.85Å; E124-Q127 PolarHBondContact O-N 2.88Å; Q127-S129 VanDerWaalsContact C-N 3.33Å; Q127-E130 PolarHBondContact O-N 3.07Å; Q127-S131 PolarHBondContact O-N 2.84Å; Q127-S131 VanDerWaalsContact O-N 3.16Å
128	T	65.3	Low	60.3	Low	84 Å²	84	87.9 Å²	87.9	52%	0.515	49%	0.49	S	S	.	.	H	α-helix	trans	-68.3	-31.8	173.7	51	0	0	0	0	112.8	E124 A125 V126 E130 S131	E124-T128 PolarHBondContact O-N 2.93Å; E124-T128 PolarHBondContact O-OG1 2.9Å; A125-T128 WeakPolarHBondContact CA-OG1 3.41Å; A125-T128 PolarHBondContact O-N 3.08Å; A125-T128 PolarHBondContact O-OG1 2.95Å; V126-T128 PolarHBondContact O-N 2.81Å; T128-E130 VanDerWaalsContact C-N 3.3Å; T128-E130 PolarHBondContact O-N 2.79Å; T128-S131 WeakPolarHBondContact CA-OG 3.35Å; T128-S131 PolarHBondContact O-N 3.27Å; T128-S131 PolarHBondContact O-OG 3.26Å
129	S	54.1	Low	57.2	Low	65 Å²	65	95.9 Å²	95.9	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-71.4	-24.4	175.2	73.2	0	0	0	0	113.4	A125 V126 Q127	A125-S129 PolarHBondContact O-N 2.92Å; V126-S129 PolarHBondContact O-N 2.81Å; V126-S129 VanDerWaalsContact O-N 3.09Å; V126-S129 PolarHBondContact O-OG 2.83Å; Q127-S129 VanDerWaalsContact C-N 3.33Å
130	E	46.3	Very low	54.2	Low	100 Å²	100	97.6 Å²	97.6	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-84.4	-20.4	173	-69.1	-177.6	145.5	0	0	112.6	V126 Q127 T128 Y144	V126-E130 PolarHBondContact O-N 2.83Å; V126-E130 VanDerWaalsContact O-N 3.07Å; Q127-E130 PolarHBondContact O-N 3.07Å; T128-E130 VanDerWaalsContact C-N 3.3Å; T128-E130 PolarHBondContact O-N 2.79Å; E130-Y144 PolarHBondContact OE1-OH 2.83Å
131	S	42.8	Very low	51.3	Low	71 Å²	71	102.7 Å²	102.7	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-84.4	-22.9	-176	61.7	0	0	0	0	116.1	Q127 T128 N133	Q127-S131 PolarHBondContact O-N 2.84Å; Q127-S131 VanDerWaalsContact O-N 3.16Å; T128-S131 WeakPolarHBondContact CA-OG 3.35Å; T128-S131 PolarHBondContact O-N 3.27Å; T128-S131 PolarHBondContact O-OG 3.26Å; S131-N133 VanDerWaalsContact C-N 3.25Å; S131-N133 PolarHBondContact O-N 2.84Å
132	D	36.8	Very low	48.5	Very low	146 Å²	146	104.6 Å²	104.6	78%	0.781	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	1.5	-175.6	-81.9	-7.1	0	0	0	114.4
133	N	32.1	Very low	45.5	Very low	148 Å²	148	108.6 Å²	108.6	79%	0.791	62%	0.624	S	S	*	*			trans	-115.2	84.5	174.3	-80.5	-62.7	0	0	0	111.6	S131	S131-N133 VanDerWaalsContact C-N 3.25Å; S131-N133 PolarHBondContact O-N 2.84Å
134	S	28.7	Very low	42.7	Very low	111 Å²	111	114.1 Å²	114.1	78%	0.776	64%	0.642	S	S	*	*			trans	-132.4	107.8	170.4	58.4	0	0	0	0	113.5
135	S	30	Very low	40.1	Very low	114 Å²	114	118.6 Å²	118.6	80%	0.797	66%	0.66	S	S	*	*			trans	-136.3	137.4	151.7	70.8	0	0	0	0	107.6
136	P	35.4	Very low	37.6	Very low	118 Å²	118	125.4 Å²	125.4	77%	0.766	69%	0.693	S	S	*	*			trans	-90.4	142.4	-161.1	33.8	-35.3	0	0	0	113.9
137	N	30.8	Very low	35.4	Very low	143 Å²	143	133.3 Å²	133.3	77%	0.765	72%	0.724	S	S	*	*				-176.8	150.8	120.5	-91.9	1.6	0	0	0	112.6
138	D	28.2	Very low	33.4	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	74%	0.739	S	S	*	*			trans	52.8	95.7	152.7	-53	-12.8	0	0	0	121.4	S140	D138-S140 PolarHBondContact O-N 3.11Å
139	D	27	Very low	31.5	Very low	167 Å²	167	143.1 Å²	143.1	89%	0.893	75%	0.754	S	S	*	*				50.5	64.5	122.2	-71.2	7.1	0	0	0	120.5
140	S	26.3	Very low	30.2	Very low	114 Å²	114	148 Å²	148	80%	0.797	78%	0.775	S	S	*	*			trans	-160.6	91.6	138	47.8	0	0	0	0	113.4	D138	D138-S140 PolarHBondContact O-N 3.11Å
141	L	26.2	Very low	29.1	Very low	153 Å²	153	148.9 Å²	148.9	80%	0.801	79%	0.792	S	S	*	*			trans	-151.4	115.1	177.1	-155.3	89	0	0	0	114.1
142	T	29	Very low	28.3	Very low	113 Å²	113	153.2 Å²	153.2	69%	0.693	81%	0.808	S	S	*	*			trans	-161.4	29.6	146.7	-4.5	0	0	0	0	116.1	Y144	T142-Y144 PolarHBondContact O-N 2.97Å
143	D	26.9	Very low	27.8	Very low	154 Å²	154	150 Å²	150	82%	0.824	79%	0.79	S	S	*	*			trans	-74.9	50.9	172.9	-101.4	-28	0	0	0	113.1
144	Y	25.9	Very low	27.6	Very low	181 Å²	181	152.6 Å²	152.6	71%	0.71	79%	0.794	S	S	*	*			trans	-131.9	27.2	-178.5	-99	-104.2	0	0	0	112.1	E130 T142	E130-Y144 PolarHBondContact OE1-OH 2.83Å; T142-Y144 PolarHBondContact O-N 2.97Å
145	K	27.4	Very low	27.4	Very low	181 Å²	181	154.6 Å²	154.6	79%	0.787	79%	0.793	S	S	*	*			trans	-113.5	-3	175.9	-81.3	-177.6	175.4	172.9	0	115	F147	K145-F147 PolarHBondContact O-N 2.89Å
146	L	27.7	Very low	27.2	Very low	157 Å²	157	158.7 Å²	158.7	82%	0.822	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	38.6	-161.1	-150.5	81.9	0	0	0	116.2
147	F	27.7	Very low	26.8	Very low	215 Å²	215	160.1 Å²	160.1	94%	0.943	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.4	9.3	171.9	-113.7	-73.2	0	0	0	116.6	K145	K145-F147 PolarHBondContact O-N 2.89Å
148	R	26.8	Very low	26.5	Very low	243 Å²	243	158.2 Å²	158.2	92%	0.917	80%	0.796	S	S	*	*	S	Bend	trans	-114.3	10.1	-178.8	-133.7	-176.9	-165.6	-157.8	4.5	115.8
149	Q	25.3	Very low	26.4	Very low	178 Å²	178	159.3 Å²	159.3	83%	0.832	80%	0.8	S	S	*	*			trans	-142.5	106.6	171.3	-74.1	-175	-34.3	0	0	109.9
150	N	27.5	Very low	26.6	Very low	168 Å²	168	156.6 Å²	156.6	90%	0.898	79%	0.792	S	S	*	*			trans	176.7	76	139.4	-90.9	-20.9	0	0	0	110.6
151	S	23.4	Very low	26.5	Very low	118 Å²	118	157.9 Å²	157.9	83%	0.825	80%	0.795	S	S	*	*			trans	-133.3	75.7	158.4	-174.7	0	0	0	0	108.4
152	L	25.8	Very low	26.4	Very low	161 Å²	161	161.9 Å²	161.9	84%	0.843	80%	0.799	S	S	*	*	S	Bend	trans	-173.8	152.6	153.3	-104.4	161.5	0	0	0	110.3
153	M	26.2	Very low	26.4	Very low	78 Å²	78	161.2 Å²	161.2	38%	0.384	81%	0.805	S	S	.	*			trans	-63.4	147.3	-166.5	-45.1	169.9	-169	0	0	114.2	H230 S231	M153-H230 HydrophobicContact CE-CB 3.85Å; M153-H230 HydrophobicContact SD-CB 3.82Å; M153-S231 WeakPolarHBondContact CE-O 3.35Å; M153-S231 WeakPolarHBondContact CE-OG 3.4Å
154	K	27.4	Very low	26.3	Very low	204 Å²	204	159 Å²	159	89%	0.887	80%	0.802	S	S	*	*				-171.4	135.6	99.1	-102	168.5	-175.8	175.9	0	113.5
155	M	24.7	Very low	26.9	Very low	152 Å²	152	156 Å²	156	75%	0.749	80%	0.804	S	S	*	*			trans	-103.7	121.1	165.2	-178.1	-172.7	-171.4	0	0	108.4	M157	M155-M157 HydrophobicContact CE-CE 4.07Å
156	Q	26.3	Very low	27	Very low	201 Å²	201	154.6 Å²	154.6	94%	0.939	80%	0.804	S	S	*	*			trans	-149.2	144.2	152	-135.5	169.8	0.7	0	0	112.8
157	M	25.8	Very low	27	Very low	147 Å²	147	154 Å²	154	72%	0.724	80%	0.8	S	S	*	*			trans	-74.9	169.1	-162.3	-76.7	-76.8	-166.5	0	0	116	M155	M155-M157 HydrophobicContact CE-CE 4.07Å
158	S	25.3	Very low	27	Very low	104 Å²	104	148.3 Å²	148.3	73%	0.727	79%	0.787	S	S	*	*			trans	83.8	147.3	144.1	80.7	0	0	0	0	118.5
159	I	26.1	Very low	27.2	Very low	156 Å²	156	142.4 Å²	142.4	80%	0.8	78%	0.783	S	S	*	*			cis	-152.7	155.2	-15.5	-117.6	165.1	0	0	0	108.2
160	P	30.6	Very low	27.2	Very low	111 Å²	111	140.9 Å²	140.9	72%	0.721	78%	0.781	S	S	*	*			trans	-97.9	143.3	-165.1	35.8	-34.3	0	0	0	116
161	T	25	Very low	27.4	Very low	141 Å²	141	138.6 Å²	138.6	87%	0.865	78%	0.777	S	S	*	*			trans	-156.6	104.4	146.9	10.7	0	0	0	0	114.8
162	R	24.5	Very low	27.6	Very low	236 Å²	236	140 Å²	140	89%	0.891	78%	0.776	S	S	*	*				35	110	126.3	-165.6	-176.2	-162.8	173.7	5.2	119.9
163	A	28	Very low	27.7	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	78%	0.775	S	S	*	*			trans	-138.6	155.7	146.3	0	0	0	0	0	109.8
164	S	25	Very low	27.9	Very low	108 Å²	108	142 Å²	142	76%	0.755	79%	0.791	S	S	*	*			trans	-155.2	165.4	-171.4	-60.5	0	0	0	0	110.7
165	P	38.7	Very low	27.8	Very low	118 Å²	118	136.3 Å²	136.3	77%	0.766	78%	0.777	S	S	*	*			trans	-113.2	-178	-134.3	41.9	-37.9	0	0	0	116.8
166	I	28.7	Very low	28.1	Very low	151 Å²	151	138 Å²	138	77%	0.774	78%	0.78	S	S	*	*			trans	-134.7	116.8	172.9	-67.8	179.8	0	0	0	104.8
167	I	28.8	Very low	28.3	Very low	146 Å²	146	135.1 Å²	135.1	75%	0.749	77%	0.771	S	S	*	*				70.5	130.9	72.2	-68	168.2	0	0	0	110.7
168	S	26.5	Very low	28.4	Very low	94 Å²	94	135 Å²	135	66%	0.657	77%	0.774	S	S	*	*			cis	-177.6	164.2	-8.5	52.5	0	0	0	0	109.5
169	S	31.3	Very low	28.6	Very low	119 Å²	119	138.1 Å²	138.1	83%	0.832	78%	0.783	S	S	*	*			trans	-165.2	120	141.4	57.6	0	0	0	0	111.9
170	D	25.6	Very low	28.7	Very low	147 Å²	147	134 Å²	134	79%	0.786	78%	0.778	S	S	*	*			trans	-97.1	163.8	179.4	-49.2	-79.3	0	0	0	113.1
171	S	31.4	Very low	28.6	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	78%	0.782	S	S	*	*			trans	-146.4	140.6	148.2	59.3	0	0	0	0	110.6
172	N	27.3	Very low	28.7	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	77%	0.774	S	S	*	*			trans	-98.4	161.7	-173.1	-60	-80.3	0	0	0	111.5
173	E	28.7	Very low	28.9	Very low	180 Å²	180	133.2 Å²	133.2	84%	0.841	77%	0.772	S	S	*	*				-176.7	132.5	107.4	-99.3	175.9	-175.4	0	0	115.4
174	S	29.3	Very low	29	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	77%	0.769	S	S	*	*			trans	17.5	154.5	142.4	66.9	0	0	0	0	123.5
175	S	26.5	Very low	28.9	Very low	85 Å²	85	140 Å²	140	59%	0.594	78%	0.776	S	S	*	*			cis	180	-178.8	-13.6	55	0	0	0	0	111.8
176	F	29.9	Very low	28.4	Very low	187 Å²	187	144.7 Å²	144.7	82%	0.82	78%	0.784	S	S	*	*			trans	76.7	143.5	173.6	-59.1	-74.9	0	0	0	117.3
177	N	30.7	Very low	28.2	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	78%	0.781	S	S	*	*			cis	-143.5	170.5	0.8	-145.2	-14.6	0	0	0	113.9
178	N	28	Very low	28.1	Very low	144 Å²	144	139.9 Å²	139.9	77%	0.77	78%	0.777	S	S	*	*			trans	-89.3	151	-167.6	-80.8	-53.7	0	0	0	117
179	N	30.3	Very low	28	Very low	171 Å²	171	140.2 Å²	140.2	91%	0.914	78%	0.78	S	S	*	*			trans	176.5	137.6	132.5	-88.8	-26.3	0	0	0	109.2
180	G	28.7	Very low	27.9	Very low	68 Å²	68	142.4 Å²	142.4	70%	0.701	78%	0.777	S	S	*	*			cis	171.9	130.6	-10.1	0	0	0	0	0	111
181	S	27.1	Very low	28.1	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	78%	0.776	S	S	*	*			trans	67.6	156.1	-175.3	-105.6	0	0	0	0	115.9
182	L	28.7	Very low	27.8	Very low	132 Å²	132	145.5 Å²	145.5	69%	0.691	78%	0.779	S	S	*	*			cis	-147.8	134.9	6.6	-142.5	145.7	0	0	0	111.8
183	R	28.8	Very low	27.6	Very low	223 Å²	223	146.1 Å²	146.1	84%	0.842	78%	0.781	S	S	*	*			trans	27.5	101.5	164.2	-64.9	173.4	-173.7	161	1.2	119
184	S	28.5	Very low	27.6	Very low	107 Å²	107	143 Å²	143	75%	0.748	77%	0.77	S	S	*	*				86.9	97.3	68.3	71.7	0	0	0	0	116.3
185	R	23.7	Very low	27.5	Very low	242 Å²	242	146.8 Å²	146.8	91%	0.913	77%	0.774	S	S	*	*			trans	-60.5	157.5	148.9	-69	172.6	168.2	162	-5.9	110.1
186	K	28.1	Very low	27.4	Very low	217 Å²	217	150.2 Å²	150.2	94%	0.943	79%	0.785	S	S	*	*				-156.2	147.9	122.3	-112.5	169.8	-173.9	-179.3	0	111.5
187	S	25	Very low	27.2	Very low	99 Å²	99	148 Å²	148	69%	0.692	78%	0.78	S	S	*	*			trans	-120.2	165.6	-170.3	56.7	0	0	0	0	111.2
188	S	25.9	Very low	26.9	Very low	97 Å²	97	150.3 Å²	150.3	68%	0.678	78%	0.783	S	S	*	*			trans	28.9	134.8	139.6	65.1	0	0	0	0	119.1
189	S	24.9	Very low	26.9	Very low	102 Å²	102	153 Å²	153	71%	0.713	79%	0.791	S	S	*	*			cis	175.7	157.7	13	35.5	0	0	0	0	109.6
190	H	29.1	Very low	26.6	Very low	165 Å²	165	152.4 Å²	152.4	76%	0.764	79%	0.787	S	S	*	*			trans	-151.1	130.5	149.7	-116.7	55.6	0	0	0	113.9
191	Q	30.1	Very low	26.6	Very low	166 Å²	166	154.1 Å²	154.1	78%	0.776	79%	0.789	S	S	*	*			trans	52.5	112.5	151.4	-60.4	179.8	14.3	0	0	121
192	N	25.2	Very low	26.6	Very low	165 Å²	165	155.3 Å²	155.3	88%	0.882	78%	0.784	S	S	*	*			trans	-80.3	138.7	156.1	-84.6	-34.6	0	0	0	110.9
193	L	23	Very low	26.5	Very low	159 Å²	159	154.7 Å²	154.7	83%	0.832	78%	0.781	S	S	*	*				-168	133.8	129.3	-116.3	161	0	0	0	113.8
194	N	27.6	Very low	26.4	Very low	116 Å²	116	151.1 Å²	151.1	62%	0.62	77%	0.774	S	S	*	*			trans	100.4	111.4	163.4	-64.4	-72.3	0	0	0	120.9
195	K	27.9	Very low	26.3	Very low	179 Å²	179	153.3 Å²	153.3	78%	0.778	77%	0.774	S	S	*	*				76.3	96.4	125.5	-64.4	175.4	-177.1	177.7	0	121.1
196	L	24.7	Very low	26.4	Very low	158 Å²	158	147.3 Å²	147.3	83%	0.827	76%	0.761	S	S	*	*				50.7	135.6	111.4	-102.2	75.5	0	0	0	122.2
197	I	26	Very low	26.4	Very low	141 Å²	141	142.3 Å²	142.3	72%	0.723	74%	0.744	S	S	*	*			trans	94.7	106	148.6	-66	164.9	0	0	0	118.5
198	K	23	Very low	26.4	Very low	189 Å²	189	145 Å²	145	82%	0.822	75%	0.746	S	S	*	*			trans	41.9	117.5	142.3	-59	178	-179.2	-179.8	0	119.8
199	Q	27.6	Very low	26.4	Very low	200 Å²	200	148.7 Å²	148.7	94%	0.935	75%	0.752	S	S	*	*				-152.8	179.6	103.3	-115.2	168.9	-17.2	0	0	111.8
200	L	25.8	Very low	26.3	Very low	159 Å²	159	148.1 Å²	148.1	83%	0.832	75%	0.748	S	S	*	*			trans	-113.4	169.5	-163.6	-78.1	156.8	0	0	0	112.6
201	S	27.7	Very low	26.1	Very low	104 Å²	104	150 Å²	150	73%	0.727	75%	0.75	S	S	*	*			trans	80.1	148.5	152.9	-63	0	0	0	0	119.4
202	I	27.9	Very low	26	Very low	142 Å²	142	148.5 Å²	148.5	73%	0.728	75%	0.747	S	S	*	*			cis	-170.1	169.4	-31.4	-123.5	164.6	0	0	0	109.9
203	D	26.1	Very low	26	Very low	118 Å²	118	147.3 Å²	147.3	63%	0.631	74%	0.741	S	S	*	*			trans	79.6	130.6	157.8	-86	-37.4	0	0	0	124.6
204	Q	26.4	Very low	26.2	Very low	148 Å²	148	147.3 Å²	147.3	69%	0.692	74%	0.742	S	S	*	*			trans	64.8	148.3	137.5	-64.3	163.3	38.5	0	0	119.2
205	M	26.4	Very low	26	Very low	153 Å²	153	150.5 Å²	150.5	75%	0.754	75%	0.753	S	S	*	*			cis	-169.9	171.8	-0.2	-119	178.5	-177.7	0	0	108.6
206	N	26.2	Very low	25.9	Very low	116 Å²	116	149.1 Å²	149.1	62%	0.62	75%	0.753	S	S	*	*			cis	-161.9	-173.7	-8.5	-153.7	25.3	0	0	0	111.6
207	D	27.2	Very low	25.8	Very low	113 Å²	113	148.1 Å²	148.1	60%	0.604	75%	0.747	S	S	*	*			trans	71	95.8	148.3	-64	-41.4	0	0	0	125.1
208	H	26.8	Very low	25.8	Very low	156 Å²	156	147.6 Å²	147.6	72%	0.722	75%	0.745	S	S	*	*				80.2	123	118.6	-77.8	-49.8	0	0	0	126.7
209	Q	25.1	Very low	25.9	Very low	174 Å²	174	144 Å²	144	81%	0.813	74%	0.735	S	S	*	*			trans	71.5	140.5	147.4	-64.3	-173.1	27.3	0	0	119.8
210	S	22.6	Very low	25.7	Very low	90 Å²	90	143.4 Å²	143.4	63%	0.629	73%	0.732	S	S	*	*			cis	-161.9	170.8	-11	55	0	0	0	0	112.2
211	Y	25.2	Very low	25.5	Very low	205 Å²	205	141.6 Å²	141.6	80%	0.804	73%	0.727	S	S	*	*			trans	52	98.7	168.4	-66.7	-79.9	0	0	0	120.7
212	N	27.2	Very low	25.4	Very low	134 Å²	134	142.5 Å²	142.5	72%	0.717	73%	0.733	S	S	*	*				172.5	134.3	95.9	-99.8	-31.2	0	0	0	113.9
213	N	24.6	Very low	25.2	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	74%	0.741	S	S	*	*			trans	45.3	152.6	149	-62	-12.9	0	0	0	122.7
214	N	28.7	Very low	25	Very low	158 Å²	158	150 Å²	150	85%	0.845	76%	0.756	S	S	*	*			trans	70.2	53.8	171.1	-57.7	-5.2	0	0	0	116.4	L216	N214-L216 PolarHBondContact O-N 2.86Å
215	H	24	Very low	25.1	Very low	184 Å²	184	150 Å²	150	85%	0.852	76%	0.759	S	S	*	*			trans	-63.6	115.1	146.7	-108.4	-93.2	0	0	0	108.9
216	L	25.3	Very low	24.9	Very low	149 Å²	149	147.7 Å²	147.7	78%	0.78	76%	0.758	S	S	*	*			trans	-117.9	82.8	166.1	-136.6	173	0	0	0	107.7	N214 I218	N214-L216 PolarHBondContact O-N 2.86Å; L216-I218 HydrophobicContact CD2-CD1 3.99Å; L216-I218 HydrophobicContact CD2-CG1 4.16Å
217	L	22	Very low	25	Very low	137 Å²	137	147.9 Å²	147.9	72%	0.717	77%	0.766	S	S	*	*			trans	-108.5	103.1	173.2	-157.9	91.7	0	0	0	107.8
218	I	27.2	Very low	25	Very low	130 Å²	130	149.4 Å²	149.4	67%	0.667	77%	0.772	S	S	*	*			trans	-135.3	99.9	169.6	-65.5	177.8	0	0	0	103.8	L216	L216-I218 HydrophobicContact CD2-CD1 3.99Å; L216-I218 HydrophobicContact CD2-CG1 4.16Å
219	D	23.4	Very low	24.8	Very low	115 Å²	115	149.9 Å²	149.9	62%	0.615	78%	0.78	S	S	*	*				54.4	96.4	75.9	-83.4	-31.7	0	0	0	115.2	T221	D219-T221 PolarHBondContact O-N 2.71Å; D219-T221 PolarHBondContact O-OG1 2.91Å
220	H	23.5	Very low	24.9	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.866	77%	0.767	S	S	*	*			trans	34.5	57.7	133	-72.4	-77.9	0	0	0	118.9
221	T	22.9	Very low	25	Very low	120 Å²	120	146.4 Å²	146.4	74%	0.736	76%	0.762	S	S	*	*			trans	-140.8	92.2	161	35	0	0	0	0	112.5	D219	D219-T221 PolarHBondContact O-N 2.71Å; D219-T221 PolarHBondContact O-OG1 2.91Å
222	S	25.2	Very low	25	Very low	123 Å²	123	144.8 Å²	144.8	86%	0.86	76%	0.764	S	S	*	*			trans	-154.8	68.8	165.5	-54.4	0	0	0	0	111.8
223	L	22.2	Very low	24.8	Very low	169 Å²	169	145.1 Å²	145.1	89%	0.885	77%	0.765	S	S	*	*			trans	-57	138.1	142.8	-76.5	158.2	0	0	0	107.7
224	W	23.5	Very low	24.9	Very low	248 Å²	248	145.2 Å²	145.2	94%	0.939	77%	0.771	S	S	*	*			trans	178.2	159.7	141.7	-99.8	107.5	0	0	0	110.9
225	I	27.2	Very low	24.6	Very low	148 Å²	148	143.3 Å²	143.3	76%	0.759	77%	0.771	S	S	*	*			trans	79.3	69.9	175.9	-43.3	173.2	0	0	0	114.9
226	S	22.1	Very low	24.7	Very low	105 Å²	105	140 Å²	140	73%	0.734	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-63.6	145	130.2	-59.4	0	0	0	0	109
227	P	28.7	Very low	24.7	Very low	121 Å²	121	139 Å²	139	79%	0.786	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.4	145.3	174.9	28.9	-34.2	0	0	0	111.4
228	I	27.4	Very low	24.7	Very low	144 Å²	144	138 Å²	138	74%	0.738	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-79.9	124	-175.7	-67	163.3	0	0	0	110.4
229	D	22.6	Very low	24.6	Very low	166 Å²	166	136.9 Å²	136.9	89%	0.888	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-76.9	132.1	160.6	-103.4	-40.2	0	0	0	110
230	H	27.8	Very low	24.6	Very low	117 Å²	117	137 Å²	137	54%	0.542	79%	0.787	S	S	.	*			trans	-114.9	81.3	-177.5	-124.8	-28	0	0	0	111.5	M153	M153-H230 HydrophobicContact CE-CB 3.85Å; M153-H230 HydrophobicContact SD-CB 3.82Å
231	S	24	Very low	24.6	Very low	75 Å²	75	134.5 Å²	134.5	52%	0.524	79%	0.785	S	S	.	*			trans	24.9	118.8	146.5	61.2	0	0	0	0	119.2	M153	M153-S231 WeakPolarHBondContact CE-O 3.35Å; M153-S231 WeakPolarHBondContact CE-OG 3.4Å
232	M	25.4	Very low	24.6	Very low	170 Å²	170	133 Å²	133	84%	0.837	78%	0.78	S	S	*	*				-169.4	156.8	101.8	-107.1	-173.7	170.9	0	0	114.8
233	N	23.8	Very low	24.4	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	78%	0.776	S	S	*	*			trans	65.3	78.1	160	-62.7	-0.7	0	0	0	119.8
234	T	25.2	Very low	24.6	Very low	142 Å²	142	131.6 Å²	131.6	87%	0.871	77%	0.773	S	S	*	*				-132.4	123	118.8	50.1	0	0	0	0	110.2
235	S	23.1	Very low	24.6	Very low	119 Å²	119	126.6 Å²	126.6	83%	0.832	76%	0.764	S	S	*	*			trans	-86.6	125.8	174.2	51.6	0	0	0	0	111.5
236	S	27.1	Very low	24.6	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	77%	0.771	S	S	*	*			trans	-159.2	94.4	153.1	45.2	0	0	0	0	111.1
237	S	23.8	Very low	24.6	Very low	128 Å²	128	131.8 Å²	131.8	90%	0.895	77%	0.77	S	S	*	*			trans	-81.3	157.5	159.5	47.9	0	0	0	0	109.9
238	S	22.9	Very low	24.4	Very low	114 Å²	114	133.1 Å²	133.1	80%	0.797	77%	0.77	S	S	*	*			trans	-133.2	125.7	-174.6	60.5	0	0	0	0	112.7
239	S	24.5	Very low	24.3	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	77%	0.765	S	S	*	*			trans	-160	101.6	166.3	54.1	0	0	0	0	109.1
240	T	23.1	Very low	24.4	Very low	119 Å²	119	135 Å²	135	73%	0.73	76%	0.762	S	S	*	*				71	107.7	78.9	62.7	0	0	0	0	116
241	T	23.3	Very low	24.1	Very low	133 Å²	133	140.4 Å²	140.4	82%	0.816	78%	0.778	S	S	*	*			trans	74.9	144.4	131	53	0	0	0	0	120.7
242	S	22.9	Very low	24.1	Very low	90 Å²	90	144.3 Å²	144.3	63%	0.629	79%	0.792	S	S	*	*			cis	-166	156.3	1.1	41.2	0	0	0	0	113.9
243	T	22.2	Very low	23.9	Very low	127 Å²	127	140 Å²	140	78%	0.779	78%	0.779	S	S	*	*			trans	64.1	147	157.1	49	0	0	0	0	118
244	T	26.6	Very low	24	Very low	134 Å²	134	143 Å²	143	82%	0.822	78%	0.781	S	S	*	*			cis	-133.2	179.2	33.7	47.4	0	0	0	0	115.2
245	N	22.2	Very low	24	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	77%	0.772	S	S	*	*			trans	-76.8	154.5	-172.7	-52.3	-26.2	0	0	0	114.5
246	Y	28	Very low	23.9	Very low	229 Å²	229	147.7 Å²	147.7	90%	0.898	77%	0.774	S	S	*	*				-162.6	151.3	119.5	-109	-69.3	0	0	0	111.8
247	D	21.5	Very low	23.8	Very low	134 Å²	134	146.6 Å²	146.6	72%	0.717	77%	0.766	S	S	*	*			trans	-76.5	150.5	-179	-55.2	-95.6	0	0	0	114.3
248	L	24.6	Very low	23.7	Very low	148 Å²	148	148.1 Å²	148.1	78%	0.775	77%	0.765	S	S	*	*				-178.7	147.9	111.7	-119.2	70.7	0	0	0	115.2
249	M	25.1	Very low	23.8	Very low	131 Å²	131	147.2 Å²	147.2	65%	0.645	76%	0.758	S	S	*	*			trans	64	114.7	148	-64.9	-62	176.2	0	0	124
250	R	25.9	Very low	23.9	Very low	219 Å²	219	152.9 Å²	152.9	83%	0.826	77%	0.765	S	S	*	*				80.5	114.4	125.4	-69.7	-179.4	-166.5	-149.1	2	122.7
251	R	21.5	Very low	23.9	Very low	231 Å²	231	154.2 Å²	154.2	87%	0.872	77%	0.767	S	S	*	*			trans	-46	144.2	141	-51.3	163.8	175.2	169.4	-4.8	112.4
252	L	23.7	Very low	23.9	Very low	157 Å²	157	153.3 Å²	153.3	82%	0.822	77%	0.767	S	S	*	*				173.9	144	105.1	-93.9	170.6	0	0	0	113.6
253	S	21.9	Very low	24.2	Very low	80 Å²	80	156.8 Å²	156.8	56%	0.559	78%	0.778	S	S	*	*			trans	8	138.8	153.1	59.9	0	0	0	0	120.4
254	Y	24	Very low	24.4	Very low	202 Å²	202	158 Å²	158	79%	0.792	78%	0.778	S	S	*	*				-170.2	160.3	61.5	-111.1	-72.3	0	0	0	114.5
255	N	25.8	Very low	24.5	Very low	129 Å²	129	158.4 Å²	158.4	69%	0.69	77%	0.774	S	S	*	*			trans	63.6	123	151.6	-70.6	-27.9	0	0	0	123.3
256	R	22.1	Very low	24.7	Very low	232 Å²	232	160.7 Å²	160.7	88%	0.875	78%	0.777	S	S	*	*				20.2	140.7	112.8	-70.8	-179.1	-178.5	-173.1	0.6	117.6
257	S	23.6	Very low	24.5	Very low	91 Å²	91	157.6 Å²	157.6	64%	0.636	77%	0.771	S	S	*	*			cis	-174.8	154.1	15	44.5	0	0	0	0	113.5
258	N	22.6	Very low	24.8	Very low	161 Å²	161	158.9 Å²	158.9	86%	0.861	77%	0.772	S	S	*	*			trans	63.4	160	156.2	-53.3	-5.1	0	0	0	116.5
259	S	24.5	Very low	24.9	Very low	95 Å²	95	157.9 Å²	157.9	66%	0.664	77%	0.772	S	S	*	*			cis	-153.6	155.4	2.6	71.4	0	0	0	0	113.3
260	Y	27.1	Very low	24.9	Very low	226 Å²	226	157.8 Å²	157.8	89%	0.886	77%	0.774	S	S	*	*			trans	59.3	143.3	150.2	-76.9	-67.3	0	0	0	123
261	D	23.1	Very low	24.9	Very low	146 Å²	146	153.1 Å²	153.1	78%	0.781	77%	0.765	S	S	*	*			trans	-74.5	150.3	167.5	-61.2	-81.1	0	0	0	113.1
262	S	23.8	Very low	25.1	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	76%	0.758	S	S	*	*				144.1	138.8	110.9	61.9	0	0	0	0	111.8
263	D	28.2	Very low	25.1	Very low	162 Å²	162	147.4 Å²	147.4	87%	0.866	75%	0.752	S	S	*	*			trans	-152.9	126.8	165.8	-132.6	-27.3	0	0	0	111
264	I	26.4	Very low	25.5	Very low	153 Å²	153	151.2 Å²	151.2	79%	0.785	77%	0.765	S	S	*	*			trans	-143.9	119.3	169.9	-50.6	176.6	0	0	0	106.3
265	I	29	Very low	25.8	Very low	143 Å²	143	148.3 Å²	148.3	73%	0.733	76%	0.762	S	S	*	*			trans	171.6	111.3	135.2	-89.3	155.5	0	0	0	111.8
266	K	26.6	Very low	25.7	Very low	190 Å²	190	149.3 Å²	149.3	83%	0.826	77%	0.767	S	S	*	*			trans	47.1	134.4	138.3	-52.5	178	-177.5	174.6	0	122.4
267	Q	24.4	Very low	26	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	76%	0.755	S	S	*	*			trans	-62.7	152.3	149.1	-53.5	163.6	-34.3	0	0	111.9
268	H	26	Very low	26	Very low	162 Å²	162	147 Å²	147	75%	0.75	76%	0.757	S	S	*	*				170.2	167.7	100.9	-116.9	80.3	0	0	0	113.5
269	V	27	Very low	26.4	Very low	127 Å²	127	144.7 Å²	144.7	77%	0.77	75%	0.754	S	S	*	*			trans	78.9	76.5	167.1	-158.8	0	0	0	0	119
270	N	24.7	Very low	26.6	Very low	128 Å²	128	146.9 Å²	146.9	68%	0.684	76%	0.756	S	S	*	*				18.4	144	117.4	-90.4	48.4	0	0	0	123.9
271	D	26.3	Very low	26.6	Very low	121 Å²	121	145.5 Å²	145.5	65%	0.647	76%	0.755	S	S	*	*			trans	93.8	100.8	130	-69.5	-18.4	0	0	0	124.6
272	L	26	Very low	26.6	Very low	136 Å²	136	145.4 Å²	145.4	71%	0.712	75%	0.754	S	S	*	*				110	131.9	110	-77.7	173.1	0	0	0	122.4
273	N	24.8	Very low	26.6	Very low	133 Å²	133	147 Å²	147	71%	0.711	75%	0.753	S	S	*	*			trans	78.2	108.6	143.4	-70.5	-28.7	0	0	0	122.6
274	I	29.4	Very low	26.5	Very low	160 Å²	160	143.9 Å²	143.9	82%	0.821	74%	0.744	S	S	*	*			trans	-126	102.8	130.7	-64.1	-176.3	0	0	0	109.7
275	I	30.7	Very low	26.4	Very low	141 Å²	141	146 Å²	146	72%	0.723	75%	0.747	S	S	*	*			trans	44.8	103.8	134.5	-51.5	174.1	0	0	0	117
276	N	24.1	Very low	26.2	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	74%	0.741	S	S	*	*				47.9	135.1	93.3	-82.8	-20.6	0	0	0	115.3
277	D	27.9	Very low	26.1	Very low	116 Å²	116	139.9 Å²	139.9	62%	0.62	73%	0.732	S	S	*	*				-166.7	-177.7	54.4	-150.9	2.3	0	0	0	115.5
278	K	24.1	Very low	26.1	Very low	158 Å²	158	137 Å²	137	69%	0.687	72%	0.721	S	S	*	*			trans	-57	141.7	-167.9	-46.5	129.1	-172.9	93	0	118.4
279	S	29.3	Very low	26.1	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	72%	0.721	S	S	*	*			trans	-165	116.3	130.7	38.2	0	0	0	0	109.9
280	I	29.5	Very low	26.1	Very low	140 Å²	140	138.2 Å²	138.2	72%	0.718	72%	0.716	S	S	*	*				82	81.2	67.3	-62.2	162.3	0	0	0	113.9
281	K	26.2	Very low	26.3	Very low	197 Å²	197	138.8 Å²	138.8	86%	0.857	72%	0.717	S	S	*	*			trans	174.4	97.3	131.6	-96.5	167.7	-176.6	178.2	0	107.5
282	L	24.5	Very low	26.4	Very low	145 Å²	145	138 Å²	138	76%	0.759	71%	0.713	S	S	*	*				45.8	111.6	67.5	-78	176.2	0	0	0	114.9
283	L	22.9	Very low	26.5	Very low	148 Å²	148	139.7 Å²	139.7	78%	0.775	72%	0.717	S	S	*	*			trans	67.3	158.9	135.4	-80.5	173.3	0	0	0	120.5
284	S	26.2	Very low	26.7	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	72%	0.721	S	S	*	*			trans	70.8	118.1	164.3	4.5	0	0	0	0	114.2
285	K	24.6	Very low	26.7	Very low	196 Å²	196	135.7 Å²	135.7	85%	0.852	71%	0.714	S	S	*	*				58.1	129.4	58.7	-66.6	-172.2	175	-179.8	0	111.6
286	S	24.7	Very low	26.6	Very low	86 Å²	86	134.2 Å²	134.2	60%	0.601	72%	0.716	S	S	*	*			cis	-178.9	-168.2	-0.5	45.6	0	0	0	0	109.2
287	N	24	Very low	26.8	Very low	120 Å²	120	131.7 Å²	131.7	64%	0.642	71%	0.71	S	S	*	*				25.8	132.7	122.8	-59	17.4	0	0	0	117.2
288	N	24.8	Very low	26.7	Very low	102 Å²	102	130.9 Å²	130.9	55%	0.545	71%	0.714	S	S	.	*			cis	-178.7	-164.8	9.8	-108.6	-10.4	0	0	0	107.7
289	Y	27.2	Very low	26.7	Very low	190 Å²	190	128 Å²	128	75%	0.745	71%	0.714	S	S	*	*			trans	90.4	145.3	134.7	-66	-39.2	0	0	0	116
290	L	25.2	Very low	26.5	Very low	126 Å²	126	126.7 Å²	126.7	66%	0.66	70%	0.704	S	S	*	*			cis	-152.4	-175.9	1.7	-128.9	160.9	0	0	0	110.1
291	I	29.6	Very low	26.3	Very low	139 Å²	139	126.9 Å²	126.9	71%	0.713	71%	0.707	S	S	*	*			trans	74.7	122.4	159.3	-65.8	143.7	0	0	0	115.3
292	N	28.3	Very low	26.2	Very low	105 Å²	105	124.4 Å²	124.4	56%	0.561	70%	0.703	S	S	*	*			cis	-162.7	150.3	-10	-115.9	-12.9	0	0	0	112.1
293	Q	28.7	Very low	26.2	Very low	171 Å²	171	126.7 Å²	126.7	80%	0.799	71%	0.707	S	S	*	*			trans	60.5	139.2	148.4	-61.9	161.6	9.4	0	0	117.8
294	S	29.4	Very low	26.2	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	71%	0.71	S	S	*	*			cis	-159.5	161.5	0.9	45.8	0	0	0	0	108.3
295	S	29.3	Very low	26.1	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	71%	0.714	S	S	*	*			cis	-167.7	151.1	-12.3	42.6	0	0	0	0	110.2
296	S	28.6	Very low	26.1	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	70%	0.704	S	S	*	*			trans	58.6	146.2	151.6	53.8	0	0	0	0	121.1
297	S	27.6	Very low	26.2	Very low	97 Å²	97	134.3 Å²	134.3	68%	0.678	71%	0.71	S	S	*	*			cis	-173.1	172.2	-16.4	52.4	0	0	0	0	110.8
298	S	25.5	Very low	26.2	Very low	99 Å²	99	133.6 Å²	133.6	69%	0.692	71%	0.706	S	S	*	*			trans	17.6	146.9	140.6	65.1	0	0	0	0	121.5
299	S	25.6	Very low	26.3	Very low	98 Å²	98	138.8 Å²	138.8	69%	0.685	72%	0.718	S	S	*	*			cis	177.1	-179.6	-4.4	49.9	0	0	0	0	109.7
300	S	24.3	Very low	26.2	Very low	86 Å²	86	135.6 Å²	135.6	60%	0.601	71%	0.712	S	S	*	*			trans	58.3	124.8	138	64.2	0	0	0	0	122.2
301	N	24.6	Very low	26.1	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	72%	0.718	S	S	*	*			trans	76.8	128.9	132.7	-61.2	-4.5	0	0	0	121.9
302	N	24.6	Very low	26	Very low	145 Å²	145	137.4 Å²	137.4	78%	0.775	72%	0.721	S	S	*	*			trans	60	115	135.6	-63.5	-10.1	0	0	0	121.4
303	K	24.2	Very low	25.7	Very low	194 Å²	194	139.9 Å²	139.9	84%	0.843	73%	0.733	S	S	*	*			trans	-13.3	128.7	130.9	-51.9	167.7	174.3	174.8	0	114
304	I	23.3	Very low	25.9	Very low	164 Å²	164	136.5 Å²	136.5	84%	0.841	73%	0.726	S	S	*	*				-175.2	144.4	106.8	-94.4	160.5	0	0	0	112
305	Y	24.1	Very low	25.7	Very low	195 Å²	195	137.6 Å²	137.6	77%	0.765	72%	0.721	S	S	*	*			trans	-53.7	177.6	175.2	-91.4	-100.1	0	0	0	118
306	H	25.3	Very low	25.5	Very low	140 Å²	140	140 Å²	140	65%	0.648	72%	0.722	S	S	*	*			trans	89.2	149.7	145.7	-72.2	-31.7	0	0	0	117.3
307	R	25	Very low	25.3	Very low	188 Å²	188	141.6 Å²	141.6	71%	0.709	72%	0.718	S	S	*	*			cis	-163.3	178.6	9.4	-136.9	171.1	174.8	126.7	-1.9	114.5
308	N	24.9	Very low	25.1	Very low	105 Å²	105	144.5 Å²	144.5	56%	0.561	72%	0.72	S	S	*	*			trans	83.3	152	146.5	-70.3	-19.6	0	0	0	118.6
309	R	27.6	Very low	25	Very low	211 Å²	211	146.8 Å²	146.8	80%	0.796	72%	0.72	S	S	*	*			cis	-147	134.1	3.4	-120.9	151.5	178.5	-166.6	-3	109
310	I	23.5	Very low	24.8	Very low	123 Å²	123	147.6 Å²	147.6	63%	0.631	72%	0.717	S	S	*	*				70.1	140.2	82.5	-54.9	173.5	0	0	0	115.2
311	M	24.3	Very low	24.7	Very low	158 Å²	158	151.5 Å²	151.5	78%	0.778	73%	0.725	S	S	*	*			trans	79.4	143.4	-179.7	-53.5	-42.7	-157.4	0	0	115.7
312	N	27.8	Very low	24.6	Very low	145 Å²	145	152.1 Å²	152.1	78%	0.775	73%	0.729	S	S	*	*			cis	-154.4	167.8	-4.5	-117.7	-3.3	0	0	0	112.9
313	L	21.3	Very low	24.6	Very low	157 Å²	157	155.4 Å²	155.4	82%	0.822	73%	0.732	S	S	*	*			trans	-96.1	-174.7	168.7	-86.8	163.4	0	0	0	110.9
314	P	33.3	Very low	24.5	Very low	99 Å²	99	150.7 Å²	150.7	64%	0.643	72%	0.723	S	S	*	*			cis	-131.7	-145.6	-6.5	25.1	2.2	0	0	0	112.4
315	I	24.2	Very low	24.5	Very low	135 Å²	135	149 Å²	149	69%	0.692	72%	0.715	S	S	*	*			trans	84.6	129	156.5	-67.9	165.6	0	0	0	115.4
316	E	25.6	Very low	24.6	Very low	147 Å²	147	147.9 Å²	147.9	69%	0.687	72%	0.721	S	S	*	*			cis	-151	151.3	2.3	-127.1	151.3	-142.9	0	0	112.2
317	E	23.9	Very low	24.5	Very low	145 Å²	145	146.6 Å²	146.6	68%	0.678	72%	0.719	S	S	*	*			trans	47.2	134.5	142.2	-72.7	164.1	-171.5	0	0	126.5
318	E	23.8	Very low	24.4	Very low	158 Å²	158	144.3 Å²	144.3	74%	0.738	72%	0.716	S	S	*	*			trans	59.7	161.4	130.6	-62.3	-175.6	179	0	0	121.8
319	E	22.9	Very low	24.4	Very low	147 Å²	147	146.6 Å²	146.6	69%	0.687	72%	0.721	S	S	*	*			cis	-156.2	167.8	-28.5	-117.9	-163.3	171.8	0	0	109.7
320	N	22.1	Very low	24.3	Very low	114 Å²	114	144.7 Å²	144.7	61%	0.61	73%	0.726	S	S	*	*			trans	43.1	146.8	145.9	-71.1	-37.5	0	0	0	126
321	E	22.6	Very low	24.3	Very low	169 Å²	169	142.5 Å²	142.5	79%	0.79	72%	0.721	S	S	*	*			trans	62.4	114.3	139.4	-72.3	-179.2	-177.9	0	0	124.3
322	D	22	Very low	24.2	Very low	155 Å²	155	142.3 Å²	142.3	83%	0.829	72%	0.724	S	S	*	*				64.4	-171.1	127.5	-96.9	8.2	0	0	0	122.1
323	Y	25.7	Very low	24.3	Very low	215 Å²	215	143.5 Å²	143.5	84%	0.843	73%	0.725	S	S	*	*			trans	77.4	88.2	-179.2	-71.5	-82	0	0	0	119.7
324	S	21.1	Very low	24.6	Very low	95 Å²	95	142.3 Å²	142.3	66%	0.664	72%	0.717	S	S	*	*			trans	-56.9	169.4	143.4	60	0	0	0	0	114
325	I	24	Very low	24.4	Very low	129 Å²	129	144.7 Å²	144.7	66%	0.662	73%	0.725	S	S	*	*			trans	94.6	92.2	164.4	-52.1	156.3	0	0	0	115.7
326	L	25.4	Very low	24.5	Very low	170 Å²	170	141.6 Å²	141.6	89%	0.89	73%	0.727	S	S	*	*				-148.6	87.2	126.1	-103.9	158.5	0	0	0	106
327	N	24.4	Very low	24.7	Very low	113 Å²	113	143 Å²	143	60%	0.604	73%	0.733	S	S	*	*				40	101.7	98.1	-74.4	-7.1	0	0	0	112.3
328	E	22.4	Very low	25	Very low	140 Å²	140	141.1 Å²	141.1	65%	0.654	73%	0.728	S	S	*	*				77.4	134.9	83.4	-92.8	-146.3	122.7	0	0	115.2
329	K	24.3	Very low	25.2	Very low	154 Å²	154	145.1 Å²	145.1	67%	0.67	74%	0.736	S	S	*	*			trans	65.2	94.8	152	-67.1	162.8	177.3	142.5	0	118.9
330	L	25.4	Very low	25.3	Very low	170 Å²	170	143 Å²	143	89%	0.89	74%	0.737	S	S	*	*				-176.6	94.9	127.1	-98.7	154.8	0	0	0	107.3
331	S	22.9	Very low	25.5	Very low	78 Å²	78	146.5 Å²	146.5	55%	0.545	75%	0.75	S	S	.	*			cis	74.9	103.7	37.4	93.1	0	0	0	0	115.5
332	N	23.9	Very low	25.7	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	75%	0.747	S	S	*	*			trans	73.6	125.2	158.6	-52.9	-20	0	0	0	119.4
333	Q	28.7	Very low	25.8	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	75%	0.75	S	S	*	*				-166.6	131.6	113.3	-101.4	-174.2	8.3	0	0	112.4
334	I	28.8	Very low	25.7	Very low	131 Å²	131	145.3 Å²	145.3	67%	0.672	75%	0.75	S	S	*	*				57.7	130.8	126.3	-64.3	174.6	0	0	0	118.2
335	N	28.9	Very low	25.9	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	75%	0.746	S	S	*	*			cis	-153.1	159.9	-1.9	-100.3	-1.6	0	0	0	108
336	G	25.2	Very low	26.2	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	75%	0.754	S	S	*	*				80.6	112.6	75.8	0	0	0	0	0	112
337	E	30.9	Very low	26.1	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	75%	0.749	S	S	*	*				-171.2	154	86.4	-105.2	-164.3	-157	0	0	116.7
338	N	30.2	Very low	26.1	Very low	105 Å²	105	147.4 Å²	147.4	56%	0.561	75%	0.751	S	S	*	*			trans	54	107.6	142.3	-76	-48.9	0	0	0	125.9
339	R	27.9	Very low	26.2	Very low	241 Å²	241	148 Å²	148	91%	0.909	76%	0.758	S	S	*	*				84.8	145.7	118.2	-75.3	176.4	-180	-167.9	-2	122.9
340	S	24.2	Very low	26.3	Very low	102 Å²	102	145.8 Å²	145.8	71%	0.713	75%	0.754	S	S	*	*			trans	-109.8	133.9	179.7	55.8	0	0	0	0	112.9
341	H	27	Very low	26.3	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.875	74%	0.743	S	S	*	*			trans	-178.3	110.9	140.3	-100.1	-47.7	0	0	0	111.3
342	L	27.2	Very low	26.4	Very low	141 Å²	141	146.7 Å²	146.7	74%	0.738	75%	0.752	S	S	*	*			trans	-170	118.8	143	-111.1	162.4	0	0	0	110.5	T345	L342-T345 HydrophobicContact CD2-CG2 4.39Å
343	R	22.5	Very low	26.7	Very low	237 Å²	237	144.2 Å²	144.2	89%	0.894	75%	0.747	S	S	*	*			trans	-96.3	126.3	156.6	-102.6	-175.6	175.5	172.4	-0.7	107.1
344	T	25.2	Very low	26.8	Very low	135 Å²	135	142.7 Å²	142.7	83%	0.828	74%	0.74	S	S	*	*			trans	52.5	81.3	153.5	-43.8	0	0	0	0	116.5
345	T	25.6	Very low	26.8	Very low	97 Å²	97	141.6 Å²	141.6	60%	0.595	74%	0.736	S	S	*	*			trans	-110.4	141.6	148.4	33.8	0	0	0	0	110.4	L342	L342-T345 HydrophobicContact CD2-CG2 4.39Å
346	M	30.2	Very low	26.7	Very low	165 Å²	165	143.4 Å²	143.4	81%	0.813	74%	0.736	S	S	*	*			trans	34	109	151	-64	147.5	78.3	0	0	118.2
347	K	22.5	Very low	26.8	Very low	183 Å²	183	145.9 Å²	145.9	80%	0.796	74%	0.741	S	S	*	*			cis	59.4	124.3	14.5	-156.2	-167	-175.1	-173.5	0	114.2
348	V	24	Very low	26.4	Very low	106 Å²	106	145.9 Å²	145.9	64%	0.642	74%	0.741	S	S	*	*			trans	61.5	135.9	-175.9	-128.6	0	0	0	0	111.2
349	L	25.3	Very low	26	Very low	154 Å²	154	146 Å²	146	81%	0.806	75%	0.746	S	S	*	*			cis	-150.4	166.2	30	-77	152.8	0	0	0	107.8
350	D	26	Very low	25.7	Very low	107 Å²	107	141 Å²	141	57%	0.572	74%	0.737	S	S	*	*			cis	-158	140.8	-30	-120.4	33.8	0	0	0	105.1
351	N	24.8	Very low	25.6	Very low	123 Å²	123	143.6 Å²	143.6	66%	0.658	74%	0.742	S	S	*	*				76.3	151.8	73.5	-165.8	15.4	0	0	0	112.7
352	L	26.4	Very low	25.5	Very low	144 Å²	144	143.1 Å²	143.1	75%	0.754	74%	0.741	S	S	*	*			trans	67.3	145.3	-174.8	-43.4	175.7	0	0	0	113.1
353	S	29.8	Very low	25.4	Very low	102 Å²	102	144 Å²	144	71%	0.713	74%	0.738	S	S	*	*			cis	-147.5	159.6	9.2	83.8	0	0	0	0	109.8
354	E	30.3	Very low	25.6	Very low	138 Å²	138	139.5 Å²	139.5	65%	0.645	73%	0.728	S	S	*	*			cis	-166.1	175.4	-1.4	-139.3	167.5	-112.5	0	0	112.6
355	N	29	Very low	25.6	Very low	108 Å²	108	141.3 Å²	141.3	58%	0.578	73%	0.727	S	S	*	*			trans	68.5	120.5	150.4	-75.1	-44.8	0	0	0	118.4
356	K	27.2	Very low	25.6	Very low	186 Å²	186	144.2 Å²	144.2	81%	0.809	74%	0.738	S	S	*	*			cis	-156.1	166.1	6.2	-89.5	175	-177	173.5	0	109.5
357	C	26.5	Very low	25.2	Very low	123 Å²	123	144.2 Å²	144.2	83%	0.831	74%	0.738	S	S	*	*			cis	-167.2	179.7	-40.4	-135.7	0	0	0	0	107.7
358	Q	21.8	Very low	25.6	Very low	178 Å²	178	140.6 Å²	140.6	83%	0.832	73%	0.733	S	S	*	*			trans	-125.5	170.3	-167.7	-151.9	-175.6	27.3	0	0	112.8
359	V	22.3	Very low	25.6	Very low	108 Å²	108	143 Å²	143	66%	0.655	74%	0.737	S	S	*	*			trans	84.7	117.6	157.7	178.3	0	0	0	0	119.4
360	N	21.4	Very low	25.6	Very low	136 Å²	136	141.2 Å²	141.2	73%	0.727	73%	0.729	S	S	*	*			trans	33.3	120.7	145.2	-51.4	-2	0	0	0	121.1
361	N	22.2	Very low	25.7	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	74%	0.737	S	S	*	*				-173.7	173	97.5	-99.1	-51.4	0	0	0	111.5
362	Q	26.2	Very low	25.9	Very low	180 Å²	180	144 Å²	144	84%	0.841	74%	0.742	S	S	*	*			trans	71.7	154.8	176.7	-59.3	-179.3	10.1	0	0	115.1
363	K	24.5	Very low	26	Very low	158 Å²	158	144.2 Å²	144.2	69%	0.687	74%	0.743	S	S	*	*			cis	174.8	151.4	-37	-119	168.5	141.7	-100.6	0	105.4
364	E	26.1	Very low	25.9	Very low	144 Å²	144	142 Å²	142	67%	0.673	74%	0.736	S	S	*	*			trans	63.5	143.8	171	-66.9	128.9	-131.3	0	0	115.3
365	E	25.1	Very low	25.6	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	75%	0.749	S	S	*	*			cis	-147.2	174.5	-17.1	-131	175.8	-178.7	0	0	112.5
366	L	25.1	Very low	25.3	Very low	158 Å²	158	145.4 Å²	145.4	83%	0.827	76%	0.759	S	S	*	*			trans	-66.5	171.7	-164.2	-74.4	138.5	0	0	0	117.5
367	M	23.4	Very low	25.1	Very low	166 Å²	166	141.5 Å²	141.5	82%	0.818	76%	0.755	S	S	*	*			trans	-55.7	164.3	155.7	-52.9	-127.7	83.7	0	0	110.8
368	P	30.9	Very low	25	Very low	106 Å²	106	146 Å²	146	69%	0.688	76%	0.756	S	S	*	*			cis	-154.3	-161.3	36.5	44.3	-21.1	0	0	0	117.6
369	E	24.5	Very low	25.1	Very low	157 Å²	157	145.1 Å²	145.1	73%	0.734	76%	0.756	S	S	*	*			trans	77.6	119.3	151.2	-78.5	-168.1	-147.6	0	0	123
370	N	24.8	Very low	25.2	Very low	117 Å²	117	146.2 Å²	146.2	63%	0.626	76%	0.763	S	S	*	*				72.5	136.4	128	-66.3	-31.5	0	0	0	123.1
371	N	27	Very low	25.5	Very low	141 Å²	141	143.3 Å²	143.3	75%	0.754	77%	0.765	S	S	*	*			trans	71.5	131.9	152.3	-67.6	-17.9	0	0	0	118.6
372	L	29.6	Very low	25.6	Very low	146 Å²	146	144.7 Å²	144.7	76%	0.764	77%	0.766	S	S	*	*			cis	-157.5	157.8	-12	-76.4	165.1	0	0	0	104.4
373	I	29.2	Very low	25.8	Very low	149 Å²	149	142.9 Å²	142.9	76%	0.764	76%	0.761	S	S	*	*			cis	-157.3	160.1	-5.9	-109.9	169.5	0	0	0	104
374	G	27.9	Very low	25.9	Very low	56 Å²	56	143.1 Å²	143.1	58%	0.577	77%	0.769	S	S	*	*			cis	117.4	150.6	16	0	0	0	0	0	110.4
375	N	23.8	Very low	26	Very low	169 Å²	169	139.7 Å²	139.7	90%	0.904	77%	0.773	S	S	*	*			cis	-165.3	170.1	-19	-135.4	29.4	0	0	0	109.7
376	D	21.7	Very low	26	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	78%	0.779	S	S	*	*			trans	-81.5	154.3	175.5	-84.1	-56.7	0	0	0	114.8
377	S	22.9	Very low	25.8	Very low	103 Å²	103	139 Å²	139	72%	0.72	78%	0.779	S	S	*	*			trans	68.6	117.6	150.6	64.3	0	0	0	0	122.8
378	Y	24.5	Very low	25.9	Very low	219 Å²	219	143 Å²	143	86%	0.859	79%	0.785	S	S	*	*			trans	22.7	122.4	138.3	-65.5	-87.2	0	0	0	122.2
379	L	25.2	Very low	25.4	Very low	158 Å²	158	146.5 Å²	146.5	83%	0.827	79%	0.792	S	S	*	*				179.4	144.4	98.6	-97.4	170	0	0	0	114.5
380	V	24	Very low	25.5	Very low	132 Å²	132	145 Å²	145	80%	0.8	79%	0.793	S	S	*	*			trans	50.9	116.4	160.8	-170.8	0	0	0	0	119.9
381	G	26.3	Very low	25.4	Very low	74 Å²	74	143.5 Å²	143.5	76%	0.763	79%	0.792	S	S	*	*			trans	-164.7	114.3	159.2	0	0	0	0	0	109.2
382	E	25.8	Very low	25.3	Very low	184 Å²	184	143.6 Å²	143.6	86%	0.86	79%	0.793	S	S	*	*			trans	-59.5	155.4	-177.9	-60.2	157.9	146.9	0	0	110.7
383	I	29.5	Very low	25.2	Very low	142 Å²	142	141.9 Å²	141.9	73%	0.728	79%	0.788	S	S	*	*				-156.4	135.5	51.4	-71.8	167.2	0	0	0	110.5
384	N	27.5	Very low	25.1	Very low	163 Å²	163	140.8 Å²	140.8	87%	0.872	78%	0.784	S	S	*	*			trans	49.7	143	159.3	-55.8	-12.7	0	0	0	120.5
385	G	28.1	Very low	24.9	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	79%	0.788	S	S	*	*			cis	-176.4	165.5	0.3	0	0	0	0	0	111.5
386	E	23.5	Very low	25.2	Very low	197 Å²	197	140 Å²	140	92%	0.921	78%	0.778	S	S	*	*			trans	-87.5	163.5	-165.8	-62.9	179.6	122	0	0	116
387	S	21.6	Very low	25.4	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	78%	0.781	S	S	*	*			trans	-33.3	140.4	163.5	-44.1	0	0	0	0	116.5
388	R	26.3	Very low	25.4	Very low	248 Å²	248	141.1 Å²	141.1	94%	0.936	78%	0.778	S	S	*	*			trans	-155.9	145.6	145.7	-122.9	172.7	-175	125.1	3.2	113.5
389	E	20.5	Very low	25.5	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	77%	0.774	S	S	*	*			trans	-89.3	-171.1	172	-59.1	169.2	115.2	0	0	110.9
390	V	26.5	Very low	25.4	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	77%	0.772	S	S	*	*			trans	81.5	72.2	164.9	-162.9	0	0	0	0	116.8
391	S	23	Very low	25.6	Very low	86 Å²	86	140.7 Å²	140.7	60%	0.601	77%	0.772	S	S	*	*				38.1	157.6	109.2	68.1	0	0	0	0	123
392	N	24.5	Very low	25.4	Very low	144 Å²	144	143.4 Å²	143.4	77%	0.77	77%	0.77	S	S	*	*			trans	83.6	143	158.3	-63.6	-6.1	0	0	0	116.9
393	T	26.5	Very low	25.3	Very low	109 Å²	109	142.8 Å²	142.8	67%	0.669	77%	0.767	S	S	*	*			cis	-145.3	-177.9	-11.4	31.8	0	0	0	0	107.4
394	D	26.8	Very low	25.1	Very low	127 Å²	127	142.1 Å²	142.1	68%	0.679	77%	0.77	S	S	*	*			cis	-154.5	133.2	30.4	-103.9	-68.4	0	0	0	108.9
395	S	25.5	Very low	25	Very low	95 Å²	95	143.9 Å²	143.9	66%	0.664	77%	0.773	S	S	*	*				61.3	133.5	93.1	81	0	0	0	0	113.8
396	T	28.3	Very low	24.9	Very low	113 Å²	113	149.7 Å²	149.7	69%	0.693	78%	0.777	S	S	*	*			cis	-147.5	172.9	31.4	51.9	0	0	0	0	110.3
397	E	27	Very low	25.1	Very low	183 Å²	183	148.9 Å²	148.9	86%	0.855	77%	0.773	S	S	*	*			cis	-158.4	-148	-10.3	-110.4	166.1	146.8	0	0	109.3
398	S	22.6	Very low	25.3	Very low	93 Å²	93	149.6 Å²	149.6	65%	0.65	77%	0.768	S	S	*	*			trans	-97.4	152.5	-171.5	55.2	0	0	0	0	116.1
399	D	26.6	Very low	25.3	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	76%	0.756	S	S	*	*				175.7	174.3	95	-98.9	-53.4	0	0	0	114.5
400	E	22.5	Very low	25.7	Very low	167 Å²	167	144.7 Å²	144.7	78%	0.78	75%	0.754	S	S	*	*			trans	-68	141.8	-172.6	-51.9	178.5	137.4	0	0	115
401	F	28.2	Very low	25.8	Very low	184 Å²	184	143.4 Å²	143.4	81%	0.807	75%	0.746	S	S	*	*				-172	-179.3	111	-121.6	-105.3	0	0	0	114.3
402	N	23.5	Very low	26.1	Very low	132 Å²	132	146.7 Å²	146.7	71%	0.706	76%	0.755	S	S	*	*			trans	-75.4	164.8	-167.9	-87.6	-74.2	0	0	0	117.6
403	Q	23.5	Very low	26.2	Very low	171 Å²	171	144.3 Å²	144.3	80%	0.799	75%	0.75	S	S	*	*			trans	92.2	123.3	147.7	-85.5	172.7	9.4	0	0	122
404	T	24.4	Very low	26.2	Very low	128 Å²	128	149.8 Å²	149.8	79%	0.785	76%	0.758	S	S	*	*			trans	59	101	146.2	56.7	0	0	0	0	119.5
405	E	25.5	Very low	26.2	Very low	200 Å²	200	149.1 Å²	149.1	94%	0.935	76%	0.763	S	S	*	*			trans	-101.3	133.9	138.5	-71.8	-160.7	130	0	0	110.4
406	K	27	Very low	26.1	Very low	195 Å²	195	148 Å²	148	85%	0.848	77%	0.767	S	S	*	*			trans	-100.4	154	155.4	-95.7	-172.2	173.1	-175.4	0	108.5
407	E	26.6	Very low	26.5	Very low	179 Å²	179	148 Å²	148	84%	0.836	77%	0.769	S	S	*	*			trans	-42.4	145.9	173.9	-50.9	160.5	120.1	0	0	114.2
408	N	25.8	Very low	26.3	Very low	134 Å²	134	147 Å²	147	72%	0.717	77%	0.765	S	S	*	*			trans	-174	153.1	156.3	-86	-32.4	0	0	0	107.9
409	Y	26.9	Very low	26.3	Very low	177 Å²	177	148.5 Å²	148.5	69%	0.694	77%	0.765	S	S	*	*			cis	-161	156.9	-16.7	-120.7	-35.2	0	0	0	108.5	V411	Y409-V411 HydrophobicContact CD1-CG2 3.93Å; Y409-V411 HydrophobicContact CE1-CG2 4.38Å; Y409-V411 HydrophobicContact CG-CG2 4.17Å
410	N	28.9	Very low	26.1	Very low	150 Å²	150	146.2 Å²	146.2	80%	0.802	76%	0.761	S	S	*	*				176.3	113.8	125.8	-87.8	-39.5	0	0	0	108.9
411	V	28.4	Very low	26.2	Very low	97 Å²	97	143.4 Å²	143.4	59%	0.588	76%	0.76	S	S	*	*				74	120.8	57	-179.1	0	0	0	0	110.3	Y409	Y409-V411 HydrophobicContact CD1-CG2 3.93Å; Y409-V411 HydrophobicContact CE1-CG2 4.38Å; Y409-V411 HydrophobicContact CG-CG2 4.17Å
412	I	29.2	Very low	26	Very low	155 Å²	155	141.2 Å²	141.2	80%	0.795	75%	0.752	S	S	*	*				-146	111.2	91	-83.2	158.2	0	0	0	113.4
413	S	26.9	Very low	26	Very low	93 Å²	93	144 Å²	144	65%	0.65	75%	0.753	S	S	*	*			trans	64	157.1	136	91.8	0	0	0	0	121.4
414	R	26.3	Very low	26.1	Very low	224 Å²	224	143.2 Å²	143.2	85%	0.845	75%	0.749	S	S	*	*			cis	-162.3	145.2	2.6	-137.3	165.9	-162.2	179.5	4.7	111.9
415	S	27.1	Very low	26	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	75%	0.746	S	S	*	*			trans	50.9	130.3	151.5	52.8	0	0	0	0	123.1
416	G	23.4	Very low	26	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	74%	0.743	S	S	*	*			trans	-100.3	-145.9	155.6	0	0	0	0	0	111.9
417	P	36.6	Very low	26	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	73%	0.734	S	S	*	*			cis	-141.1	-170.8	-0.4	44.6	-26.3	0	0	0	116.3
418	Q	22.3	Very low	26.1	Very low	162 Å²	162	133.2 Å²	133.2	76%	0.757	73%	0.734	S	S	*	*			trans	81.8	142.3	151.7	-82.4	-167	-95.4	0	0	124.8
419	D	23.3	Very low	26.1	Very low	123 Å²	123	134 Å²	134	66%	0.658	73%	0.733	S	S	*	*			trans	75	101.9	142.8	-62.9	10.6	0	0	0	125.4
420	S	22.8	Very low	26	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	74%	0.739	S	S	*	*				70.7	109.4	125.6	68.3	0	0	0	0	124.4
421	S	23.1	Very low	25.9	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	74%	0.736	S	S	*	*				92.2	152.1	119	74.7	0	0	0	0	123.7
422	E	24.1	Very low	26	Very low	138 Å²	138	133.2 Å²	133.2	65%	0.645	75%	0.748	S	S	*	*			trans	75.7	119.3	166.1	-58.4	-133.8	117.8	0	0	122.2
423	R	25.1	Very low	25.9	Very low	191 Å²	191	129.3 Å²	129.3	72%	0.721	75%	0.746	S	S	*	*				42.7	148.7	125.2	-60.5	-178.9	-179.4	141.4	7.4	121.2
424	Q	24.1	Very low	26	Very low	154 Å²	154	134.1 Å²	134.1	72%	0.72	76%	0.758	S	S	*	*			cis	-171.2	149.8	-9.4	-115.1	174.6	-45.3	0	0	109.3
425	C	24	Very low	26	Very low	106 Å²	106	134.2 Å²	134.2	72%	0.716	76%	0.76	S	S	*	*			trans	64	159.5	153.8	-62.8	0	0	0	0	118.1
426	T	23.7	Very low	25.9	Very low	144 Å²	144	136.1 Å²	136.1	88%	0.883	76%	0.76	S	S	*	*			cis	-156.3	157.6	1.9	-7.3	0	0	0	0	111.8
427	G	28.2	Very low	26.1	Very low	64 Å²	64	140 Å²	140	66%	0.66	77%	0.77	S	S	*	*			trans	131.4	105	168.7	0	0	0	0	0	111.9
428	Q	27.6	Very low	25.7	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	78%	0.775	S	S	*	*				63.9	127.4	69.2	-68.9	-167.5	-21.1	0	0	113.8
429	Q	26	Very low	25.9	Very low	151 Å²	151	141.5 Å²	141.5	71%	0.706	78%	0.78	S	S	*	*			cis	-164.2	145.9	-1.8	-137.4	-178.9	-4.9	0	0	112.7
430	M	25.3	Very low	26.1	Very low	166 Å²	166	144.1 Å²	144.1	82%	0.818	79%	0.793	S	S	*	*			trans	60.6	147.7	162.6	-52.5	-149.9	-64.3	0	0	118.1
431	S	27.7	Very low	26.3	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	80%	0.801	S	S	*	*			cis	-164.9	174	-16.8	51.2	0	0	0	0	106.5
432	T	29.5	Very low	26.6	Very low	137 Å²	137	144.7 Å²	144.7	84%	0.84	80%	0.803	S	S	*	*			cis	-129.3	-176	8.2	49.9	0	0	0	0	109.5
433	G	26.4	Very low	26.8	Very low	72 Å²	72	147.3 Å²	147.3	74%	0.742	81%	0.812	S	S	*	*			cis	147.4	82.8	-14.3	0	0	0	0	0	114.1
434	E	29.8	Very low	27.1	Very low	195 Å²	195	146.5 Å²	146.5	91%	0.911	81%	0.811	S	S	*	*			trans	-154.6	146.9	152.7	-131.9	176.8	-144	0	0	110
435	Y	25.9	Very low	27.2	Very low	225 Å²	225	148.7 Å²	148.7	88%	0.882	82%	0.821	S	S	*	*			trans	-159.1	159.5	-171.1	-126.5	-101	0	0	0	110.1
436	L	25.2	Very low	27.2	Very low	153 Å²	153	148.2 Å²	148.2	80%	0.801	82%	0.819	S	S	*	*			trans	93.1	68.7	173.4	-55.4	168.9	0	0	0	119.2
437	T	27.4	Very low	27.3	Very low	155 Å²	155	146.9 Å²	146.9	95%	0.951	82%	0.815	S	S	*	*			trans	-145.6	33.2	154.4	-7.2	0	0	0	0	115.1
438	S	27.5	Very low	27.3	Very low	119 Å²	119	151.3 Å²	151.3	83%	0.832	82%	0.822	S	S	*	*			trans	-135	53	-176.2	-160.5	0	0	0	0	114.8
439	Q	27.6	Very low	27.5	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	82%	0.822	S	S	*	*	S	Bend	trans	-139.8	12.5	172.8	-75	-163.4	-16.2	0	0	115.5
440	L	26.2	Very low	27.6	Very low	179 Å²	179	151.5 Å²	151.5	94%	0.937	83%	0.831	S	S	*	*	S	Bend	trans	-115.2	8.7	-176.8	-76.5	172.2	0	0	0	115.9
441	S	28.6	Very low	27.6	Very low	122 Å²	122	152.3 Å²	152.3	85%	0.853	83%	0.833	S	S	*	*	S	Bend	trans	-91	-20.5	179.2	-178.2	0	0	0	0	114.3	K443	S441-K443 PolarHBondContact O-N 3Å
442	A	28.3	Very low	27.6	Very low	98 Å²	98	153.2 Å²	153.2	81%	0.81	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	33.8	-162.2	0	0	0	0	0	116
443	K	28.8	Very low	27.6	Very low	193 Å²	193	153 Å²	153	84%	0.839	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	1.6	-173.4	-133.8	179.4	-177.7	180	0	119.1	S441	S441-K443 PolarHBondContact O-N 3Å
444	Y	31	Very low	27.6	Very low	175 Å²	175	159.3 Å²	159.3	69%	0.686	83%	0.832	S	S	*	*			trans	-119.9	64.2	171.5	-75.5	-67.4	0	0	0	111.6
445	Q	25.7	Very low	27.5	Very low	199 Å²	199	156 Å²	156	93%	0.93	83%	0.826	S	S	*	*			trans	-97.7	64.6	168.1	-79.8	-169.7	-40.3	0	0	111.6
446	S	24.9	Very low	27.6	Very low	97 Å²	97	155.2 Å²	155.2	68%	0.678	83%	0.827	S	S	*	*	S	Bend	trans	-161.9	134.1	164.8	58	0	0	0	0	109.8
447	S	25.8	Very low	27.7	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	82%	0.817	S	S	*	*	S	Bend	trans	78	77.3	179.5	-47.8	0	0	0	0	117.1
448	I	28.3	Very low	27.6	Very low	157 Å²	157	152.8 Å²	152.8	81%	0.805	82%	0.815	S	S	*	*	S	Bend	trans	58.4	127	134.3	-63.2	174.6	0	0	0	119
449	I	31.1	Very low	27.5	Very low	158 Å²	158	150.8 Å²	150.8	81%	0.81	80%	0.802	S	S	*	*			trans	68	88.8	174.6	-57.3	155.8	0	0	0	115.2
450	L	27.8	Very low	27.6	Very low	174 Å²	174	148.7 Å²	148.7	91%	0.911	80%	0.796	S	S	*	*			trans	-154.7	44.9	147.2	-117.9	176.5	0	0	0	112.1
451	Q	25.8	Very low	28.1	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	79%	0.786	S	S	*	*			trans	-127.5	78.3	174.7	-80	-168.1	-24.7	0	0	111.7
452	N	28.9	Very low	28.2	Very low	124 Å²	124	148.3 Å²	148.3	66%	0.663	78%	0.784	S	S	*	*			trans	-176.9	91.9	144.5	-103.3	-34.3	0	0	0	110.9	R454	N452-R454 PolarHBondContact O-N 2.86Å; N452-R454 VanDerWaalsContact O-N 3.08Å
453	P	29.4	Very low	28.3	Very low	134 Å²	134	151.3 Å²	151.3	87%	0.87	79%	0.786	S	S	*	*			trans	-80.6	56.2	160.2	35.9	-33.6	0	0	0	109.5
454	R	26.1	Very low	28.4	Very low	203 Å²	203	150.3 Å²	150.3	77%	0.766	78%	0.784	S	S	*	*			trans	-82.2	120	173.4	-80.4	-169	179.6	-155.8	-0.3	109.3	N452 F456	N452-R454 PolarHBondContact O-N 2.86Å; N452-R454 VanDerWaalsContact O-N 3.08Å; R454-F456 PolarHBondContact O-N 2.87Å
455	T	27.3	Very low	28.6	Very low	127 Å²	127	149.5 Å²	149.5	78%	0.779	79%	0.792	S	S	*	*			trans	-57.1	130.4	160.6	45.6	0	0	0	0	109.2	S457	T455-S457 PolarHBondContact O-N 2.8Å
456	F	29	Very low	29.3	Very low	208 Å²	208	148 Å²	148	91%	0.912	79%	0.785	S	S	*	*			trans	-67.3	102.5	167.9	-89.9	-93.1	0	0	0	109.3	R454	R454-F456 PolarHBondContact O-N 2.87Å
457	S	25.9	Very low	30.3	Very low	83 Å²	83	149.2 Å²	149.2	58%	0.58	78%	0.783	S	S	*	*			trans	-92.3	140.7	152.7	49.5	0	0	0	0	108	T455 S459	T455-S457 PolarHBondContact O-N 2.8Å; S457-S459 VanDerWaalsContact C-N 3.28Å; S457-S459 PolarHBondContact O-N 2.85Å
458	D	26.7	Very low	31.5	Very low	173 Å²	173	146.4 Å²	146.4	93%	0.925	76%	0.763	S	S	*	*	S	Bend	trans	-74.5	73.8	-176.7	-66.3	-53.8	0	0	0	112.6
459	S	25	Very low	32.8	Very low	78 Å²	78	142.5 Å²	142.5	55%	0.545	75%	0.748	S	S	.	*			trans	-155.9	150.5	163.9	64.3	0	0	0	0	111.4	S457	S457-S459 VanDerWaalsContact C-N 3.28Å; S457-S459 PolarHBondContact O-N 2.85Å
460	D	28.5	Very low	34.2	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	74%	0.738	S	S	*	*			trans	64.9	93	165.6	-42.7	-36.8	0	0	0	117.4
461	I	36.4	Very low	36.1	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	71%	0.709	S	S	*	*			trans	-105.8	102.3	155.2	-62	175.2	0	0	0	107.1	L463	I461-L463 PolarHBondContact O-N 2.83Å
462	D	31.9	Very low	38	Very low	153 Å²	153	131.5 Å²	131.5	82%	0.818	69%	0.69	S	S	*	*			trans	-71.5	123	171.1	-78.9	-46.5	0	0	0	110.3	E464	D462-E464 PolarHBondContact O-N 3Å; D462-E464 VanDerWaalsContact O-N 3.13Å
463	L	30.7	Very low	39.8	Very low	162 Å²	162	127 Å²	127	85%	0.848	67%	0.666	S	S	*	*			trans	-81.8	84.2	176.2	-73.7	92.7	0	0	0	111.4	I461	I461-L463 PolarHBondContact O-N 2.83Å
464	E	29.8	Very low	41.8	Very low	172 Å²	172	128.2 Å²	128.2	80%	0.804	65%	0.653	S	S	*	*	S	Bend	trans	-152.6	120.2	158.8	-119.3	168.1	-136	0	0	112.7	D462	D462-E464 PolarHBondContact O-N 3Å; D462-E464 VanDerWaalsContact O-N 3.13Å
465	N	35.6	Very low	44.2	Very low	158 Å²	158	123.3 Å²	123.3	85%	0.845	64%	0.638	S	S	*	*			trans	78.7	59.2	179.6	-46.5	-83.7	0	0	0	117.7
466	E	40.7	Very low	46.2	Very low	167 Å²	167	118.5 Å²	118.5	78%	0.78	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-99.5	131.5	163.5	-67.5	-153	135	0	0	113.1
467	L	44.9	Very low	48.3	Very low	123 Å²	123	114.5 Å²	114.5	64%	0.644	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-66.6	154	153.4	-76.1	97.1	0	0	0	108.8	D471	L467-D471 HydrophobicContact CB-CB 4.47Å; L467-D471 HydrophobicContact CD2-CB 4.19Å
468	S	51.2	Low	50.8	Low	56 Å²	56	113.1 Å²	113.1	39%	0.392	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-51.5	137.1	170.3	-174.2	0	0	0	0	110.1	N470 D471 Y472	S468-N470 PolarHBondContact O-N 2.88Å; S468-D471 WeakPolarHBondContact CB-OD2 3.36Å; S468-D471 WeakPolarHBondContact O-CA 3.3Å; S468-D471 PolarHBondContact O-N 2.82Å; S468-Y472 PolarHBondContact O-N 2.95Å
469	P	55.5	Low	53.2	Low	75 Å²	75	109 Å²	109	49%	0.487	56%	0.559	S	S	.	*	H	α-helix	trans	-52.8	-29.4	177.7	-30.7	36.3	0	0	0	113.6	I473	P469-I473 WeakPolarHBondContact O-CB 3.45Å; P469-I473 WeakPolarHBondContact O-CD1 3.34Å; P469-I473 WeakPolarHBondContact O-CG1 3.32Å; P469-I473 PolarHBondContact O-N 2.89Å
470	N	60.5	Low	55.6	Low	111 Å²	111	106.5 Å²	106.5	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-68.8	-34.4	173.8	-71.3	-54.5	0	0	0	113.8	S468 R474	S468-N470 PolarHBondContact O-N 2.88Å; N470-R474 WeakPolarHBondContact O-CB 3.33Å; N470-R474 PolarHBondContact O-N 3.32Å
471	D	68.3	Low	58	Low	57 Å²	57	104.4 Å²	104.4	31%	0.305	53%	0.525	S	S	.	.	H	α-helix	trans	-79.9	-37.4	177.8	-63.1	-45.1	0	0	0	110.8	L467 S468 I473 R474 E475	L467-D471 HydrophobicContact CB-CB 4.47Å; L467-D471 HydrophobicContact CD2-CB 4.19Å; S468-D471 WeakPolarHBondContact CB-OD2 3.36Å; S468-D471 WeakPolarHBondContact O-CA 3.3Å; S468-D471 PolarHBondContact O-N 2.82Å; D471-I473 PolarHBondContact O-N 2.92Å; D471-R474 WeakPolarHBondContact O-CB 3.47Å; D471-R474 PolarHBondContact O-N 2.88Å; D471-R474 VanDerWaalsContact O-N 3.1Å; D471-R474 IonicContact OD1-CZ 3.64Å; D471-R474 IonicContact OD1-NH1 2.65Å; D471-R474 PolarHBondContact OD1-NH1 3.16Å; D471-R474 IonicContact OD1-NH2 2.62Å; D471-R474 PolarHBondContact OD1-NH2 2.83Å; D471-E475 PolarHBondContact O-N 2.88Å
472	Y	66.2	Low	60.1	Low	116 Å²	116	101.6 Å²	101.6	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-60.6	-43	169.7	-177.7	-122	0	0	0	111.9	S468 R474 E475 L476	S468-Y472 PolarHBondContact O-N 2.95Å; Y472-R474 VanDerWaalsContact C-N 3.31Å; Y472-R474 PolarHBondContact O-N 2.95Å; Y472-E475 PolarHBondContact O-N 3.29Å; Y472-L476 HydrophobicContact CD1-CD1 4.03Å; Y472-L476 HydrophobicContact CE1-CD1 3.67Å; Y472-L476 HydrophobicContact CE1-CG 4.47Å; Y472-L476 HydrophobicContact CE2-CD1 4.3Å; Y472-L476 HydrophobicContact CE2-CD2 4.48Å; Y472-L476 HydrophobicContact CE2-CG 4.24Å; Y472-L476 WeakPolarHBondContact O-CG 3.4Å; Y472-L476 PolarHBondContact O-N 3.05Å
473	I	66.1	Low	62.1	Low	30 Å²	30	95.1 Å²	95.1	15%	0.154	49%	0.485	C	S	.	.	H	α-helix	trans	-65.1	-32.7	172.6	-71.6	167	0	0	0	112	P469 D471 K477 M575 I579	P469-I473 WeakPolarHBondContact O-CB 3.45Å; P469-I473 WeakPolarHBondContact O-CD1 3.34Å; P469-I473 WeakPolarHBondContact O-CG1 3.32Å; P469-I473 PolarHBondContact O-N 2.89Å; D471-I473 PolarHBondContact O-N 2.92Å; I473-K477 HydrophobicContact CG2-CD 4.22Å; I473-K477 WeakPolarHBondContact O-CB 3.42Å; I473-K477 VanDerWaalsContact O-CG 3.28Å; I473-K477 WeakPolarHBondContact O-CG 3.35Å; I473-K477 PolarHBondContact O-N 2.88Å; I473-K477 VanDerWaalsContact O-N 3.1Å; I473-M575 HydrophobicContact CD1-CG 3.84Å; I473-M575 HydrophobicContact CG1-CG 4.31Å; I473-I579 HydrophobicContact CD1-CD1 3.54Å
474	R	72	Confident	64.3	Low	158 Å²	158	89.9 Å²	89.9	60%	0.596	46%	0.458	S	S	*	.	H	α-helix	trans	-68.2	-43.3	175.6	-166.1	-176.3	-57	127.1	18.9	111.3	N470 D471 Y472 K477 A478	N470-R474 WeakPolarHBondContact O-CB 3.33Å; N470-R474 PolarHBondContact O-N 3.32Å; D471-R474 WeakPolarHBondContact O-CB 3.47Å; D471-R474 PolarHBondContact O-N 2.88Å; D471-R474 VanDerWaalsContact O-N 3.1Å; D471-R474 IonicContact OD1-CZ 3.64Å; D471-R474 IonicContact OD1-NH1 2.65Å; D471-R474 PolarHBondContact OD1-NH1 3.16Å; D471-R474 IonicContact OD1-NH2 2.62Å; D471-R474 PolarHBondContact OD1-NH2 2.83Å; Y472-R474 VanDerWaalsContact C-N 3.31Å; Y472-R474 PolarHBondContact O-N 2.95Å; R474-K477 PolarHBondContact O-N 3.11Å; R474-A478 PolarHBondContact O-N 2.98Å
475	E	75.8	Confident	66.8	Low	100 Å²	100	86.1 Å²	86.1	47%	0.467	44%	0.443	S	S	.	.	H	α-helix	trans	-65	-47.2	177.4	-176.7	55	-150.9	0	0	111.5	D471 Y472 K477 A478 Q479	D471-E475 PolarHBondContact O-N 2.88Å; Y472-E475 PolarHBondContact O-N 3.29Å; E475-K477 PolarHBondContact O-N 2.96Å; E475-A478 WeakPolarHBondContact O-CB 3.36Å; E475-A478 PolarHBondContact O-N 2.89Å; E475-Q479 WeakPolarHBondContact O-CG 3.2Å; E475-Q479 PolarHBondContact O-N 3.17Å; E475-Q479 PolarHBondContact OE1-NE2 2.96Å
476	L	69.8	Low	69	Low	27 Å²	27	85 Å²	85	14%	0.141	43%	0.428	C	S	.	.	H	α-helix	trans	-56.7	-37.6	173.1	-73.4	174.4	0	0	0	112.6	Y472 L480 F568	Y472-L476 HydrophobicContact CD1-CD1 4.03Å; Y472-L476 HydrophobicContact CE1-CD1 3.67Å; Y472-L476 HydrophobicContact CE1-CG 4.47Å; Y472-L476 HydrophobicContact CE2-CD1 4.3Å; Y472-L476 HydrophobicContact CE2-CD2 4.48Å; Y472-L476 HydrophobicContact CE2-CG 4.24Å; Y472-L476 WeakPolarHBondContact O-CG 3.4Å; Y472-L476 PolarHBondContact O-N 3.05Å; L476-L480 VanDerWaalsContact O-CB 3.29Å; L476-L480 WeakPolarHBondContact O-CB 3.4Å; L476-L480 PolarHBondContact O-N 2.93Å; L476-F568 HydrophobicContact CD2-CD1 3.96Å; L476-F568 HydrophobicContact CD2-CE1 3.64Å
477	K	73.2	Confident	70.8	Confident	123 Å²	123	77.7 Å²	77.7	54%	0.535	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-37.8	174.7	-77.3	174.9	179.2	-179.4	0	112.7	I473 R474 E475 Q481	I473-K477 HydrophobicContact CG2-CD 4.22Å; I473-K477 WeakPolarHBondContact O-CB 3.42Å; I473-K477 VanDerWaalsContact O-CG 3.28Å; I473-K477 WeakPolarHBondContact O-CG 3.35Å; I473-K477 PolarHBondContact O-N 2.88Å; I473-K477 VanDerWaalsContact O-N 3.1Å; R474-K477 PolarHBondContact O-N 3.11Å; E475-K477 PolarHBondContact O-N 2.96Å; K477-Q481 WeakPolarHBondContact O-CB 3.28Å; K477-Q481 PolarHBondContact O-N 3.4Å
478	A	78.3	Confident	72.4	Confident	54 Å²	54	74.6 Å²	74.6	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-43.7	175.7	0	0	0	0	0	111.8	R474 E475 Q481 S482	R474-A478 PolarHBondContact O-N 2.98Å; E475-A478 WeakPolarHBondContact O-CB 3.36Å; E475-A478 PolarHBondContact O-N 2.89Å; A478-Q481 PolarHBondContact O-N 3.47Å; A478-S482 PolarHBondContact O-N 3.04Å
479	Q	76.6	Confident	74	Confident	87 Å²	87	78.5 Å²	78.5	41%	0.407	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-42.7	176	-66.6	179.3	13.4	0	0	111.8	E475 Q481 S482 A483	E475-Q479 WeakPolarHBondContact O-CG 3.2Å; E475-Q479 PolarHBondContact O-N 3.17Å; E475-Q479 PolarHBondContact OE1-NE2 2.96Å; Q479-Q481 VanDerWaalsContact C-N 3.35Å; Q479-Q481 PolarHBondContact O-N 2.92Å; Q479-S482 PolarHBondContact O-N 3.02Å; Q479-A483 PolarHBondContact O-N 2.81Å
480	L	75.7	Confident	75.3	Confident	26 Å²	26	75.3 Å²	75.3	14%	0.136	37%	0.371	C	S	.	.	H	α-helix	trans	-59.9	-42.8	172.8	178.1	59.6	0	0	0	111.8	L476 A483 L484 K565 F568 T569	L476-L480 VanDerWaalsContact O-CB 3.29Å; L476-L480 WeakPolarHBondContact O-CB 3.4Å; L476-L480 PolarHBondContact O-N 2.93Å; L480-A483 PolarHBondContact O-N 3.29Å; L480-L484 HydrophobicContact CG-CD1 4.41Å; L480-L484 WeakPolarHBondContact O-CG 3.46Å; L480-L484 PolarHBondContact O-N 2.86Å; L480-K565 HydrophobicContact CD1-CB 4.45Å; L480-K565 HydrophobicContact CD1-CG 4.23Å; L480-F568 HydrophobicContact CD1-CB 4.08Å; L480-T569 HydrophobicContact CD1-CG2 4.41Å; L480-T569 HydrophobicContact CD2-CG2 3.98Å
481	Q	79.1	Confident	76.3	Confident	98 Å²	98	76 Å²	76	46%	0.458	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-44.7	176.4	-172.2	60.9	50.2	0	0	111.8	K477 A478 Q479 A483 L484 D485	K477-Q481 WeakPolarHBondContact O-CB 3.28Å; K477-Q481 PolarHBondContact O-N 3.4Å; A478-Q481 PolarHBondContact O-N 3.47Å; Q479-Q481 VanDerWaalsContact C-N 3.35Å; Q479-Q481 PolarHBondContact O-N 2.92Å; Q481-A483 VanDerWaalsContact C-N 3.26Å; Q481-A483 PolarHBondContact O-N 2.81Å; Q481-L484 WeakPolarHBondContact O-CB 3.48Å; Q481-L484 PolarHBondContact O-N 2.92Å; Q481-L484 VanDerWaalsContact O-N 3.09Å; Q481-D485 PolarHBondContact NE2-OD1 2.94Å; Q481-D485 VanDerWaalsContact O-CG 3.22Å; Q481-D485 PolarHBondContact O-N 2.86Å
482	S	79.5	Confident	77.2	Confident	81 Å²	81	79.1 Å²	79.1	57%	0.566	38%	0.378	S	S	*	.	H	α-helix	trans	-61.1	-35.1	176.5	-170.7	0	0	0	0	112.7	A478 Q479 R486	A478-S482 PolarHBondContact O-N 3.04Å; Q479-S482 PolarHBondContact O-N 3.02Å; S482-R486 PolarHBondContact O-N 3.44Å; S482-R486 VanDerWaalsContact O-N 3.12Å
483	A	75.4	Confident	78	Confident	16 Å²	16	75.7 Å²	75.7	13%	0.132	37%	0.367	C	S	.	.	H	α-helix	trans	-68.5	-39.3	173	0	0	0	0	0	112.7	Q479 L480 Q481 R486 E487	Q479-A483 PolarHBondContact O-N 2.81Å; L480-A483 PolarHBondContact O-N 3.29Å; Q481-A483 VanDerWaalsContact C-N 3.26Å; Q481-A483 PolarHBondContact O-N 2.81Å; A483-R486 PolarHBondContact O-N 3.07Å; A483-E487 WeakPolarHBondContact O-CB 3.49Å; A483-E487 PolarHBondContact O-N 2.93Å
484	L	76.4	Confident	78.8	Confident	53 Å²	53	75.3 Å²	75.3	28%	0.277	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-44.6	174.2	-70.1	170.5	0	0	0	111.9	L480 Q481 R486 E487 A488 K565	L480-L484 HydrophobicContact CG-CD1 4.41Å; L480-L484 WeakPolarHBondContact O-CG 3.46Å; L480-L484 PolarHBondContact O-N 2.86Å; Q481-L484 WeakPolarHBondContact O-CB 3.48Å; Q481-L484 PolarHBondContact O-N 2.92Å; Q481-L484 VanDerWaalsContact O-N 3.09Å; L484-R486 VanDerWaalsContact C-N 3.32Å; L484-R486 PolarHBondContact O-N 3.27Å; L484-E487 WeakPolarHBondContact O-CB 3.18Å; L484-E487 PolarHBondContact O-N 2.82Å; L484-A488 WeakPolarHBondContact O-CB 3.36Å; L484-A488 PolarHBondContact O-N 2.87Å; L484-K565 HydrophobicContact CD2-CD 3.75Å; L484-K565 HydrophobicContact CD2-CG 4.29Å
485	D	82.5	Confident	79.3	Confident	92 Å²	92	70.8 Å²	70.8	49%	0.492	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-38.8	179.7	-61.7	-20.8	0	0	0	110.9	Q481 Y489	Q481-D485 PolarHBondContact NE2-OD1 2.94Å; Q481-D485 VanDerWaalsContact O-CG 3.22Å; Q481-D485 PolarHBondContact O-N 2.86Å; D485-Y489 PolarHBondContact O-N 2.8Å
486	R	82	Confident	79.6	Confident	136 Å²	136	70.8 Å²	70.8	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-65.5	-44.3	171.9	-169.5	-176.9	-177.4	103.9	-0.1	112.2	S482 A483 L484 A488 Y489 L490 E557 L561	S482-R486 PolarHBondContact O-N 3.44Å; S482-R486 VanDerWaalsContact O-N 3.12Å; A483-R486 PolarHBondContact O-N 3.07Å; L484-R486 VanDerWaalsContact C-N 3.32Å; L484-R486 PolarHBondContact O-N 3.27Å; R486-A488 VanDerWaalsContact C-N 3.32Å; R486-A488 PolarHBondContact O-N 2.81Å; R486-Y489 PolarHBondContact O-N 2.85Å; R486-L490 HydrophobicContact CG-CD1 3.96Å; R486-L490 HydrophobicContact CG-CG 4.45Å; R486-L490 VanDerWaalsContact O-CG 3.31Å; R486-L490 WeakPolarHBondContact O-CG 3.39Å; R486-L490 PolarHBondContact O-N 2.91Å; R486-E557 IonicContact CZ-OE1 3.75Å; R486-E557 IonicContact NE-OE1 3.72Å; R486-E557 PolarHBondContact NE-OE1 2.99Å; R486-E557 IonicContact NH2-OE1 2.77Å; R486-E557 PolarHBondContact NH2-OE1 2.82Å; R486-L561 HydrophobicContact CB-CD1 4.28Å; R486-L561 HydrophobicContact CG-CD1 3.88Å
487	E	77.3	Confident	80.1	Confident	13 Å²	13	72.8 Å²	72.8	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-44.7	176.5	-166.6	-159.6	161.7	0	0	110.9	A483 L484 L490 R491 I558 K565	A483-E487 WeakPolarHBondContact O-CB 3.49Å; A483-E487 PolarHBondContact O-N 2.93Å; L484-E487 WeakPolarHBondContact O-CB 3.18Å; L484-E487 PolarHBondContact O-N 2.82Å; E487-L490 PolarHBondContact O-N 2.8Å; E487-R491 WeakPolarHBondContact O-CB 3.16Å; E487-R491 VanDerWaalsContact O-CG 3.29Å; E487-R491 WeakPolarHBondContact O-CG 3.01Å; E487-R491 PolarHBondContact O-N 2.86Å; E487-R491 IonicContact OE1-CZ 3.54Å; E487-R491 IonicContact OE1-NE 3.87Å; E487-R491 PolarHBondContact OE1-NE 2.97Å; E487-R491 IonicContact OE1-NH2 2.74Å; E487-R491 PolarHBondContact OE1-NH2 2.95Å; E487-I558 HydrophobicContact CG-CG2 4.47Å; E487-K565 IonicContact OE1-NZ 2.7Å; E487-K565 WeakPolarHBondContact OE2-CD 3.47Å; E487-K565 IonicContact OE2-NZ 3.52Å; E487-K565 PolarHBondContact OE2-NZ 3.09Å
488	A	79.1	Confident	80.5	Confident	57 Å²	57	70 Å²	70	47%	0.471	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-46	177.6	0	0	0	0	0	112.2	L484 R486 R491 Q492	L484-A488 WeakPolarHBondContact O-CB 3.36Å; L484-A488 PolarHBondContact O-N 2.87Å; R486-A488 VanDerWaalsContact C-N 3.32Å; R486-A488 PolarHBondContact O-N 2.81Å; A488-R491 PolarHBondContact O-N 2.68Å; A488-Q492 PolarHBondContact O-N 3.05Å
489	Y	84.5	Confident	80.6	Confident	138 Å²	138	69.3 Å²	69.3	54%	0.541	35%	0.35	S	S	.	.	H	α-helix	trans	-60.8	-44.6	176.5	176.6	-106.1	0	0	0	112.6	D485 R486 Q492 M493	D485-Y489 PolarHBondContact O-N 2.8Å; R486-Y489 PolarHBondContact O-N 2.85Å; Y489-Q492 PolarHBondContact O-N 3.18Å; Y489-M493 HydrophobicContact CD1-CE 4.2Å; Y489-M493 HydrophobicContact CE1-CE 3.31Å; Y489-M493 PolarHBondContact O-N 3.02Å; Y489-M493 WeakPolarHBondContact OH-CE 3.47Å
490	L	83.7	Confident	80.8	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-37.8	178.3	-66	166.2	0	0	0	111.8	R486 E487 M493 L494 L554 E557 I558 L561	R486-L490 HydrophobicContact CG-CD1 3.96Å; R486-L490 HydrophobicContact CG-CG 4.45Å; R486-L490 VanDerWaalsContact O-CG 3.31Å; R486-L490 WeakPolarHBondContact O-CG 3.39Å; R486-L490 PolarHBondContact O-N 2.91Å; E487-L490 PolarHBondContact O-N 2.8Å; L490-M493 PolarHBondContact O-N 3.24Å; L490-L494 WeakPolarHBondContact O-CB 3.4Å; L490-L494 PolarHBondContact O-N 3.4Å; L490-L554 HydrophobicContact CD2-CD2 3.58Å; L490-E557 HydrophobicContact CD1-CB 4.41Å; L490-E557 HydrophobicContact CD1-CG 3.81Å; L490-E557 WeakPolarHBondContact CD1-OE1 3.26Å; L490-I558 HydrophobicContact CB-CD1 4.02Å; L490-I558 HydrophobicContact CB-CG1 3.75Å; L490-I558 HydrophobicContact CD1-CG1 4.49Å; L490-L561 HydrophobicContact CD1-CD1 3.46Å; L490-L561 VanDerWaalsContact CD1-CD1 3.46Å
491	R	81.8	Confident	81	Confident	126 Å²	126	67.1 Å²	67.1	48%	0.475	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-40.7	172.6	-75	177	-178.7	-77.3	0.4	112.4	E487 A488 L494 S495 I558	E487-R491 WeakPolarHBondContact O-CB 3.16Å; E487-R491 VanDerWaalsContact O-CG 3.29Å; E487-R491 WeakPolarHBondContact O-CG 3.01Å; E487-R491 PolarHBondContact O-N 2.86Å; E487-R491 IonicContact OE1-CZ 3.54Å; E487-R491 IonicContact OE1-NE 3.87Å; E487-R491 PolarHBondContact OE1-NE 2.97Å; E487-R491 IonicContact OE1-NH2 2.74Å; E487-R491 PolarHBondContact OE1-NH2 2.95Å; A488-R491 PolarHBondContact O-N 2.68Å; R491-L494 PolarHBondContact O-N 3Å; R491-S495 WeakPolarHBondContact O-CB 3.47Å; R491-S495 PolarHBondContact O-N 3.5Å; R491-I558 HydrophobicContact CG-CD1 4.01Å; R491-I558 HydrophobicContact CG-CG1 4.46Å; R491-I558 HydrophobicContact CG-CG2 4.36Å
492	Q	85.2	Confident	81	Confident	122 Å²	122	68.9 Å²	68.9	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-63.8	-43.2	173.9	-168.9	-175.8	22.4	0	0	111.1	A488 Y489 L494 S495 N496	A488-Q492 PolarHBondContact O-N 3.05Å; Y489-Q492 PolarHBondContact O-N 3.18Å; Q492-L494 VanDerWaalsContact C-N 3.34Å; Q492-L494 PolarHBondContact O-N 2.81Å; Q492-S495 PolarHBondContact O-N 2.87Å; Q492-N496 WeakPolarHBondContact O-CB 3.44Å; Q492-N496 VanDerWaalsContact O-CG 3.26Å; Q492-N496 PolarHBondContact O-N 2.83Å
493	M	83.9	Confident	81.2	Confident	44 Å²	44	70.1 Å²	70.1	22%	0.217	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-38.7	176.2	-166.4	-173.6	-56.7	0	0	112.4	Y489 L490 R497 L554	Y489-M493 HydrophobicContact CD1-CE 4.2Å; Y489-M493 HydrophobicContact CE1-CE 3.31Å; Y489-M493 PolarHBondContact O-N 3.02Å; Y489-M493 WeakPolarHBondContact OH-CE 3.47Å; L490-M493 PolarHBondContact O-N 3.24Å; M493-R497 VanDerWaalsContact O-CG 3.31Å; M493-R497 WeakPolarHBondContact O-CG 3.42Å; M493-R497 PolarHBondContact O-N 2.91Å; M493-R497 VanDerWaalsContact O-N 3.08Å; M493-R497 PolarHBondContact SD-NH2 2.96Å; M493-L554 HydrophobicContact CB-CD1 4.31Å; M493-L554 HydrophobicContact CG-CD1 4.19Å; M493-L554 HydrophobicContact SD-CD1 4.27Å; M493-L554 HydrophobicContact SD-CD2 4.16Å
494	L	83	Confident	81.4	Confident	23 Å²	23	70.2 Å²	70.2	12%	0.12	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-52	173.6	-171.2	77.7	0	0	0	110.5	L490 R491 Q492 N496 R497 E498 N551 L554 I555 I558	L490-L494 WeakPolarHBondContact O-CB 3.4Å; L490-L494 PolarHBondContact O-N 3.4Å; R491-L494 PolarHBondContact O-N 3Å; Q492-L494 VanDerWaalsContact C-N 3.34Å; Q492-L494 PolarHBondContact O-N 2.81Å; L494-N496 VanDerWaalsContact C-N 3.32Å; L494-N496 PolarHBondContact O-N 2.94Å; L494-R497 CarbonylContact O-C 3.59Å; L494-R497 PolarHBondContact O-N 2.88Å; L494-E498 HydrophobicContact CG-CG 4.49Å; L494-E498 WeakPolarHBondContact O-CG 3.5Å; L494-E498 PolarHBondContact O-N 2.93Å; L494-N551 HydrophobicContact CD1-CB 3.85Å; L494-L554 HydrophobicContact CB-CD1 4.15Å; L494-L554 HydrophobicContact CD1-CB 3.94Å; L494-L554 HydrophobicContact CD1-CD1 4.05Å; L494-I555 HydrophobicContact CD1-CD1 4.34Å; L494-I555 HydrophobicContact CD1-CG1 3.93Å; L494-I555 HydrophobicContact CD2-CG1 4.16Å; L494-I558 HydrophobicContact CB-CD1 4.47Å; L494-I558 HydrophobicContact CD2-CD1 4.33Å
495	S	81.5	Confident	81.5	Confident	62 Å²	62	70.3 Å²	70.3	43%	0.434	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-42.4	179.9	-169.6	0	0	0	0	112.7	R491 Q492 R497 E498 A499	R491-S495 WeakPolarHBondContact O-CB 3.47Å; R491-S495 PolarHBondContact O-N 3.5Å; Q492-S495 PolarHBondContact O-N 2.87Å; S495-R497 PolarHBondContact O-N 2.87Å; S495-E498 PolarHBondContact O-N 3.24Å; S495-A499 PolarHBondContact O-N 2.96Å
496	N	82.7	Confident	81.5	Confident	101 Å²	101	71.5 Å²	71.5	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-38.6	175.1	-70.2	-8.5	0	0	0	112.2	Q492 L494 G500	Q492-N496 WeakPolarHBondContact O-CB 3.44Å; Q492-N496 VanDerWaalsContact O-CG 3.26Å; Q492-N496 PolarHBondContact O-N 2.83Å; L494-N496 VanDerWaalsContact C-N 3.32Å; L494-N496 PolarHBondContact O-N 2.94Å; N496-G500 PolarHBondContact O-N 2.88Å
497	R	80.8	Confident	81.3	Confident	68 Å²	68	68.8 Å²	68.8	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-72.6	-34	176	-72.2	176.4	-174.9	176.3	3.8	112.7	M493 L494 S495 G500 M501 L547 K550 N551	M493-R497 VanDerWaalsContact O-CG 3.31Å; M493-R497 WeakPolarHBondContact O-CG 3.42Å; M493-R497 PolarHBondContact O-N 2.91Å; M493-R497 VanDerWaalsContact O-N 3.08Å; M493-R497 PolarHBondContact SD-NH2 2.96Å; L494-R497 CarbonylContact O-C 3.59Å; L494-R497 PolarHBondContact O-N 2.88Å; S495-R497 PolarHBondContact O-N 2.87Å; R497-G500 PolarHBondContact O-N 3.05Å; R497-M501 WeakPolarHBondContact O-CB 3.47Å; R497-M501 PolarHBondContact O-N 2.96Å; R497-L547 HydrophobicContact CG-CD2 4.47Å; R497-K550 PolarHBondContact NH1-O 2.81Å; R497-N551 VanDerWaalsContact CB-OD1 3.29Å; R497-N551 WeakPolarHBondContact CB-OD1 3.43Å; R497-N551 WeakPolarHBondContact CD-OD1 3.49Å
498	E	80.9	Confident	81.3	Confident	66 Å²	66	69 Å²	69	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-36.7	172.6	-71.7	174.6	-179.5	0	0	111.9	L494 S495 M501 R502	L494-E498 HydrophobicContact CG-CG 4.49Å; L494-E498 WeakPolarHBondContact O-CG 3.5Å; L494-E498 PolarHBondContact O-N 2.93Å; S495-E498 PolarHBondContact O-N 3.24Å; E498-M501 PolarHBondContact O-N 2.87Å; E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 2.73Å
499	A	81.2	Confident	81.2	Confident	39 Å²	39	71.5 Å²	71.5	32%	0.322	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-47.1	170.8	0	0	0	0	0	111.5	S495 M501 R502 E503	S495-A499 PolarHBondContact O-N 2.96Å; A499-M501 VanDerWaalsContact C-N 3.25Å; A499-M501 PolarHBondContact O-N 3.3Å; A499-R502 PolarHBondContact O-N 2.89Å; A499-E503 PolarHBondContact O-N 3.39Å
500	G	80.8	Confident	80.8	Confident	26 Å²	26	69.3 Å²	69.3	27%	0.268	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-28.4	173.7	0	0	0	0	0	114.1	N496 R497 I504	N496-G500 PolarHBondContact O-N 2.88Å; R497-G500 PolarHBondContact O-N 3.05Å; G500-I504 WeakPolarHBondContact O-CG1 3.33Å; G500-I504 PolarHBondContact O-N 2.77Å
501	M	79.7	Confident	80.2	Confident	40 Å²	40	69.8 Å²	69.8	20%	0.197	34%	0.343	C	S	.	.	H	α-helix	trans	-72.3	-47.8	173.1	-160.1	164.1	74.8	0	0	110.7	R497 E498 A499 E503 I504 D505 Q544	R497-M501 WeakPolarHBondContact O-CB 3.47Å; R497-M501 PolarHBondContact O-N 2.96Å; E498-M501 PolarHBondContact O-N 2.87Å; A499-M501 VanDerWaalsContact C-N 3.25Å; A499-M501 PolarHBondContact O-N 3.3Å; M501-E503 PolarHBondContact O-N 2.71Å; M501-I504 CarbonylContact O-C 3.59Å; M501-I504 WeakPolarHBondContact O-CA 3.27Å; M501-I504 WeakPolarHBondContact O-CB 3.48Å; M501-I504 PolarHBondContact O-N 2.85Å; M501-D505 PolarHBondContact O-N 3.15Å; M501-Q544 HydrophobicContact CG-CG 4Å; M501-Q544 HydrophobicContact SD-CG 4.29Å
502	R	79.7	Confident	79.6	Confident	136 Å²	136	68.2 Å²	68.2	51%	0.513	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-35.8	172.7	-71.5	-175.4	-65.4	-91.4	2.3	112.9	E498 A499 I504 D505 Q506	E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 2.73Å; A499-R502 PolarHBondContact O-N 2.89Å; R502-I504 VanDerWaalsContact C-N 3.34Å; R502-D505 WeakPolarHBondContact CA-OD2 3.46Å; R502-D505 PolarHBondContact O-N 3.45Å; R502-Q506 VanDerWaalsContact O-CB 3.29Å; R502-Q506 WeakPolarHBondContact O-CB 3.44Å; R502-Q506 PolarHBondContact O-N 2.72Å
503	E	82.3	Confident	78.7	Confident	106 Å²	106	65.7 Å²	65.7	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-33.7	171.7	-95.3	-164.4	-123	0	0	113.7	A499 M501 K507	A499-E503 PolarHBondContact O-N 3.39Å; M501-E503 PolarHBondContact O-N 2.71Å; E503-K507 WeakPolarHBondContact O-CB 3.46Å; E503-K507 WeakPolarHBondContact O-CD 3.28Å; E503-K507 WeakPolarHBondContact O-CE 3.36Å; E503-K507 WeakPolarHBondContact O-CG 3.39Å; E503-K507 PolarHBondContact O-N 3.31Å; E503-K507 IonicContact OE2-NZ 3.87Å; E503-K507 PolarHBondContact OE2-NZ 3.38Å
504	I	80.6	Confident	77.8	Confident	18 Å²	18	67.9 Å²	67.9	9%	0.092	34%	0.343	C	S	.	.	H	α-helix	trans	-75.3	-45.6	174.9	-71.5	165.4	0	0	0	109.5	G500 M501 R502 Q506 K507 V508 Y540 K543 Q544 L547	G500-I504 WeakPolarHBondContact O-CG1 3.33Å; G500-I504 PolarHBondContact O-N 2.77Å; M501-I504 CarbonylContact O-C 3.59Å; M501-I504 WeakPolarHBondContact O-CA 3.27Å; M501-I504 WeakPolarHBondContact O-CB 3.48Å; M501-I504 PolarHBondContact O-N 2.85Å; R502-I504 VanDerWaalsContact C-N 3.34Å; I504-Q506 VanDerWaalsContact C-N 3.3Å; I504-Q506 PolarHBondContact O-N 2.81Å; I504-K507 CarbonylContact O-C 3.57Å; I504-K507 WeakPolarHBondContact O-CA 3.49Å; I504-K507 WeakPolarHBondContact O-CB 3.42Å; I504-K507 PolarHBondContact O-N 3.06Å; I504-V508 HydrophobicContact CG2-CG2 4.47Å; I504-V508 WeakPolarHBondContact O-CG2 3.32Å; I504-V508 PolarHBondContact O-N 3.21Å; I504-Y540 HydrophobicContact CG1-CD1 4.26Å; I504-Y540 HydrophobicContact CG2-CD1 3.93Å; I504-Y540 HydrophobicContact CG2-CG 4.26Å; I504-K543 HydrophobicContact CD1-CB 4.22Å; I504-Q544 HydrophobicContact CG2-CB 4.32Å; I504-L547 HydrophobicContact CD1-CD1 3.59Å
505	D	79.2	Confident	76.6	Confident	55 Å²	55	70.2 Å²	70.2	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-55.2	-47.2	176.5	-52.9	-27.8	0	0	0	110.1	M501 R502 K507 V508 E509 Q544	M501-D505 PolarHBondContact O-N 3.15Å; R502-D505 WeakPolarHBondContact CA-OD2 3.46Å; R502-D505 PolarHBondContact O-N 3.45Å; D505-K507 VanDerWaalsContact C-N 3.33Å; D505-K507 PolarHBondContact O-N 2.55Å; D505-V508 PolarHBondContact O-N 2.85Å; D505-E509 WeakPolarHBondContact O-CB 3.27Å; D505-E509 PolarHBondContact O-N 2.98Å; D505-Q544 PolarHBondContact OD1-NE2 2.89Å
506	Q	80.7	Confident	75.3	Confident	118 Å²	118	74.7 Å²	74.7	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-66.4	-29.4	175.5	-166.5	179.9	31.2	0	0	113	R502 I504 N510	R502-Q506 VanDerWaalsContact O-CB 3.29Å; R502-Q506 WeakPolarHBondContact O-CB 3.44Å; R502-Q506 PolarHBondContact O-N 2.72Å; I504-Q506 VanDerWaalsContact C-N 3.3Å; I504-Q506 PolarHBondContact O-N 2.81Å; Q506-N510 WeakPolarHBondContact O-CB 3.24Å; Q506-N510 PolarHBondContact O-N 3.39Å; Q506-N510 PolarHBondContact O-ND2 3.14Å
507	K	79	Confident	73.8	Confident	78 Å²	78	77.1 Å²	77.1	34%	0.339	38%	0.375	S	S	.	.	H	α-helix	trans	-74.4	-36.1	174.7	-75.8	160.3	-160.7	156	0	111.7	E503 I504 D505 I511 Y540	E503-K507 WeakPolarHBondContact O-CB 3.46Å; E503-K507 WeakPolarHBondContact O-CD 3.28Å; E503-K507 WeakPolarHBondContact O-CE 3.36Å; E503-K507 WeakPolarHBondContact O-CG 3.39Å; E503-K507 PolarHBondContact O-N 3.31Å; E503-K507 IonicContact OE2-NZ 3.87Å; E503-K507 PolarHBondContact OE2-NZ 3.38Å; I504-K507 CarbonylContact O-C 3.57Å; I504-K507 WeakPolarHBondContact O-CA 3.49Å; I504-K507 WeakPolarHBondContact O-CB 3.42Å; I504-K507 PolarHBondContact O-N 3.06Å; D505-K507 VanDerWaalsContact C-N 3.33Å; D505-K507 PolarHBondContact O-N 2.55Å; K507-I511 WeakPolarHBondContact O-CD1 3.39Å; K507-I511 VanDerWaalsContact O-CG1 3.27Å; K507-I511 WeakPolarHBondContact O-CG1 3.28Å; K507-I511 PolarHBondContact O-N 2.71Å; K507-Y540 HydrophobicContact CB-CE1 4.48Å; K507-Y540 HydrophobicContact CB-CE2 4.31Å; K507-Y540 HydrophobicContact CD-CE1 4.29Å
508	V	77.2	Confident	72.2	Confident	19 Å²	19	78.8 Å²	78.8	12%	0.115	39%	0.389	C	S	.	.	H	α-helix	trans	-65.7	-52.3	171.3	174.2	0	0	0	0	109.8	I504 D505 N510 I511 E512 I537 Y540	I504-V508 HydrophobicContact CG2-CG2 4.47Å; I504-V508 WeakPolarHBondContact O-CG2 3.32Å; I504-V508 PolarHBondContact O-N 3.21Å; D505-V508 PolarHBondContact O-N 2.85Å; V508-N510 VanDerWaalsContact C-N 3.27Å; V508-N510 PolarHBondContact O-N 2.74Å; V508-I511 CarbonylContact O-C 3.59Å; V508-I511 WeakPolarHBondContact O-CA 3.49Å; V508-I511 PolarHBondContact O-N 2.81Å; V508-E512 HydrophobicContact CG1-CG 4.14Å; V508-E512 WeakPolarHBondContact O-CG 3.33Å; V508-E512 PolarHBondContact O-N 3.47Å; V508-I537 HydrophobicContact CG1-CG2 4.43Å; V508-Y540 HydrophobicContact CG2-CD2 4.45Å; V508-Y540 HydrophobicContact CG2-CG 4.27Å
509	E	77.1	Confident	70.6	Confident	108 Å²	108	83 Å²	83	51%	0.505	41%	0.414	S	S	.	.	H	α-helix	trans	-54.7	-40.7	177.1	-179.7	-176.1	-163.7	0	0	112	D505 I511 N513	D505-E509 WeakPolarHBondContact O-CB 3.27Å; D505-E509 PolarHBondContact O-N 2.98Å; E509-I511 VanDerWaalsContact C-N 3.33Å; E509-I511 PolarHBondContact O-N 2.79Å; E509-N513 WeakPolarHBondContact CG-ND2 3.47Å; E509-N513 VanDerWaalsContact O-CB 3.24Å; E509-N513 WeakPolarHBondContact O-CB 3.27Å; E509-N513 PolarHBondContact O-N 3.01Å; E509-N513 PolarHBondContact O-ND2 2.82Å
510	N	75.4	Confident	68.5	Low	93 Å²	93	85.9 Å²	85.9	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-66.8	-30.1	175.6	-85.5	-61.9	0	0	0	113.5	Q506 V508 I514	Q506-N510 WeakPolarHBondContact O-CB 3.24Å; Q506-N510 PolarHBondContact O-N 3.39Å; Q506-N510 PolarHBondContact O-ND2 3.14Å; V508-N510 VanDerWaalsContact C-N 3.27Å; V508-N510 PolarHBondContact O-N 2.74Å; N510-I514 WeakPolarHBondContact O-CD1 3.24Å; N510-I514 WeakPolarHBondContact O-CG1 3.42Å; N510-I514 PolarHBondContact O-N 2.97Å
511	I	71.6	Confident	66.6	Low	17 Å²	17	90 Å²	90	9%	0.087	46%	0.456	C	S	.	.	H	α-helix	trans	-79.2	-42.6	176.3	-67.1	165	0	0	0	110.4	K507 V508 E509 N513 I514 E515 L533 M536 I537 Y540	K507-I511 WeakPolarHBondContact O-CD1 3.39Å; K507-I511 VanDerWaalsContact O-CG1 3.27Å; K507-I511 WeakPolarHBondContact O-CG1 3.28Å; K507-I511 PolarHBondContact O-N 2.71Å; V508-I511 CarbonylContact O-C 3.59Å; V508-I511 WeakPolarHBondContact O-CA 3.49Å; V508-I511 PolarHBondContact O-N 2.81Å; E509-I511 VanDerWaalsContact C-N 3.33Å; E509-I511 PolarHBondContact O-N 2.79Å; I511-N513 VanDerWaalsContact C-N 3.31Å; I511-N513 PolarHBondContact O-N 2.78Å; I511-I514 WeakPolarHBondContact O-CA 3.36Å; I511-I514 WeakPolarHBondContact O-CB 3.42Å; I511-I514 PolarHBondContact O-N 3.5Å; I511-E515 PolarHBondContact O-N 2.58Å; I511-E515 VanDerWaalsContact O-N 3.11Å; I511-L533 HydrophobicContact CG2-CB 4.17Å; I511-L533 HydrophobicContact CG2-CD2 4.2Å; I511-M536 HydrophobicContact CD1-CE 4.18Å; I511-I537 HydrophobicContact CB-CG1 4.5Å; I511-I537 HydrophobicContact CG2-CD1 3.92Å; I511-I537 HydrophobicContact CG2-CG1 3.86Å; I511-Y540 HydrophobicContact CD1-CD2 4.16Å; I511-Y540 HydrophobicContact CD1-CE2 3.92Å
512	E	69.1	Low	64.8	Low	93 Å²	93	97.7 Å²	97.7	44%	0.435	49%	0.489	S	S	.	.	H	α-helix	trans	-61.8	-38.9	174.3	-67.3	177.3	150	0	0	111.5	V508 I514 E515 M516	V508-E512 HydrophobicContact CG1-CG 4.14Å; V508-E512 WeakPolarHBondContact O-CG 3.33Å; V508-E512 PolarHBondContact O-N 3.47Å; E512-I514 PolarHBondContact O-N 2.97Å; E512-E515 PolarHBondContact O-N 3.07Å; E512-M516 WeakPolarHBondContact O-CB 3.3Å; E512-M516 WeakPolarHBondContact O-CG 3.07Å; E512-M516 PolarHBondContact O-N 3.27Å
513	N	67	Low	63.1	Low	70 Å²	70	101 Å²	101	37%	0.374	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-14.6	172.3	-88.1	-76.3	0	0	0	114.3	E509 I511 K517	E509-N513 WeakPolarHBondContact CG-ND2 3.47Å; E509-N513 VanDerWaalsContact O-CB 3.24Å; E509-N513 WeakPolarHBondContact O-CB 3.27Å; E509-N513 PolarHBondContact O-N 3.01Å; E509-N513 PolarHBondContact O-ND2 2.82Å; I511-N513 VanDerWaalsContact C-N 3.31Å; I511-N513 PolarHBondContact O-N 2.78Å; N513-K517 WeakPolarHBondContact O-CD 3.38Å; N513-K517 WeakPolarHBondContact O-CG 3.37Å
514	I	65.1	Low	61.3	Low	90 Å²	90	99.9 Å²	99.9	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-84.6	-44.2	170.1	-70.4	163	0	0	0	109.7	N510 I511 E512 K517	N510-I514 WeakPolarHBondContact O-CD1 3.24Å; N510-I514 WeakPolarHBondContact O-CG1 3.42Å; N510-I514 PolarHBondContact O-N 2.97Å; I511-I514 WeakPolarHBondContact O-CA 3.36Å; I511-I514 WeakPolarHBondContact O-CB 3.42Å; I511-I514 PolarHBondContact O-N 3.5Å; E512-I514 PolarHBondContact O-N 2.97Å; I514-K517 PolarHBondContact O-N 3.38Å
515	E	56.6	Low	59.9	Low	71 Å²	71	103.9 Å²	103.9	33%	0.332	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-41.9	174.3	-69.3	-162.2	138.1	0	0	112.2	I511 E512 K517 L533	I511-E515 PolarHBondContact O-N 2.58Å; I511-E515 VanDerWaalsContact O-N 3.11Å; E512-E515 PolarHBondContact O-N 3.07Å; E515-K517 PolarHBondContact O-N 3.48Å; E515-L533 HydrophobicContact CG-CD1 4.46Å
516	M	54.3	Low	58.4	Low	156 Å²	156	111.3 Å²	111.3	77%	0.768	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-10.3	-176.1	-72.8	-70.3	172.1	0	0	114.9	E512	E512-M516 WeakPolarHBondContact O-CB 3.3Å; E512-M516 WeakPolarHBondContact O-CG 3.07Å; E512-M516 PolarHBondContact O-N 3.27Å
517	K	51.8	Low	57	Low	152 Å²	152	113 Å²	113	66%	0.661	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	0.2	-178.3	-77.6	179	-177.8	165.9	0	114.9	N513 I514 E515 N519	N513-K517 WeakPolarHBondContact O-CD 3.38Å; N513-K517 WeakPolarHBondContact O-CG 3.37Å; I514-K517 PolarHBondContact O-N 3.38Å; E515-K517 PolarHBondContact O-N 3.48Å; K517-N519 PolarHBondContact O-N 2.91Å
518	D	47.1	Very low	56.1	Low	104 Å²	104	113.2 Å²	113.2	56%	0.556	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	37	178.5	-94.5	-16.1	0	0	0	114.5
519	N	47	Very low	55.5	Low	155 Å²	155	115.4 Å²	115.4	83%	0.829	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	14.3	174.2	-90.8	-53.9	0	0	0	114.4	K517	K517-N519 PolarHBondContact O-N 2.91Å
520	S	38	Very low	54.8	Low	98 Å²	98	114.4 Å²	114.4	69%	0.685	60%	0.596	S	S	*	*	S	Bend	trans	-170.1	103.1	150.7	23.1	0	0	0	0	114.7	F522	S520-F522 PolarHBondContact O-N 3.33Å
521	S	41.1	Very low	54.5	Low	113 Å²	113	115.6 Å²	115.6	79%	0.79	60%	0.603	S	S	*	*			trans	45.8	66	148.3	63.8	0	0	0	0	119.2
522	F	40.6	Very low	54.6	Low	202 Å²	202	120.2 Å²	120.2	89%	0.886	62%	0.622	S	S	*	*			trans	-136.4	160.7	147.4	-103.9	-85.4	0	0	0	110.6	S520	S520-F522 PolarHBondContact O-N 3.33Å
523	K	44.5	Very low	54.6	Low	206 Å²	206	116.7 Å²	116.7	90%	0.896	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-87.7	123.3	-168.2	-68.7	170.7	179.7	166.1	0	112.2
524	L	45.3	Very low	54.8	Low	82 Å²	82	121.3 Å²	121.3	43%	0.429	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-59.4	151.2	165.9	-79.7	96.7	0	0	0	112.2	K526	L524-K526 PolarHBondContact O-N 3.33Å
525	P	49.4	Very low	55.5	Low	101 Å²	101	121.8 Å²	121.8	66%	0.656	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-61.9	128.2	164.4	-16.8	30.6	0	0	0	110.4	N527	P525-N527 PolarHBondContact O-N 2.82Å
526	K	49.2	Very low	56.5	Low	212 Å²	212	121.7 Å²	121.7	92%	0.922	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	3	-164.4	-76.4	-172.2	170.2	-173.3	0	118.5	L524	L524-K526 PolarHBondContact O-N 3.33Å
527	N	51.7	Low	57.6	Low	154 Å²	154	115.1 Å²	115.1	82%	0.824	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	14.6	-164.5	-83.1	-7.5	0	0	0	116	P525	P525-N527 PolarHBondContact O-N 2.82Å
528	I	59.8	Low	59	Low	82 Å²	82	113.7 Å²	113.7	42%	0.421	59%	0.586	S	S	.	*			trans	-127.6	126.3	176.9	-48	-179.3	0	0	0	109.8	K532 L533	I528-K532 HydrophobicContact CG2-CB 4.16Å; I528-L533 HydrophobicContact CG2-CD2 3.72Å; I528-L533 HydrophobicContact CG2-CG 3.86Å
529	S	63.8	Low	60.7	Low	65 Å²	65	111.7 Å²	111.7	46%	0.455	58%	0.575	S	S	.	*			trans	-87.9	151.9	172	52.2	0	0	0	0	110.7	N531 K532 L533	S529-N531 VanDerWaalsContact C-N 3.28Å; S529-N531 PolarHBondContact O-N 3.14Å; S529-K532 WeakPolarHBondContact O-CA 3.29Å; S529-K532 WeakPolarHBondContact O-CB 3.49Å; S529-K532 PolarHBondContact O-N 3.4Å; S529-L533 PolarHBondContact O-N 3.37Å
530	P	63.1	Low	62.4	Low	86 Å²	86	106.8 Å²	106.8	56%	0.558	55%	0.545	S	S	*	.	H	α-helix	trans	-58.3	-38.2	-178.5	21.2	-33	0	0	0	112.7	K532 L533 R534	P530-K532 PolarHBondContact O-N 3.12Å; P530-L533 WeakPolarHBondContact O-CB 3.38Å; P530-L533 PolarHBondContact O-N 2.81Å; P530-R534 PolarHBondContact O-N 3.45Å
531	N	69	Low	64.4	Low	119 Å²	119	105.8 Å²	105.8	64%	0.636	53%	0.53	S	S	*	.	H	α-helix	trans	-53.2	-40.1	173	-62.6	19.8	0	0	0	111.9	S529 R534 D535	S529-N531 VanDerWaalsContact C-N 3.28Å; S529-N531 PolarHBondContact O-N 3.14Å; N531-R534 WeakPolarHBondContact O-CB 3.2Å; N531-R534 PolarHBondContact O-N 2.89Å; N531-D535 PolarHBondContact O-N 3.17Å
532	K	73.2	Confident	66.5	Low	114 Å²	114	106.1 Å²	106.1	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-75.7	-23.1	-178.8	-165.8	172.1	-176.1	178	0	113.4	I528 S529 P530 M536	I528-K532 HydrophobicContact CG2-CB 4.16Å; S529-K532 WeakPolarHBondContact O-CA 3.29Å; S529-K532 WeakPolarHBondContact O-CB 3.49Å; S529-K532 PolarHBondContact O-N 3.4Å; P530-K532 PolarHBondContact O-N 3.12Å; K532-M536 VanDerWaalsContact O-CG 3.29Å; K532-M536 WeakPolarHBondContact O-CG 3.36Å; K532-M536 PolarHBondContact O-N 3.01Å
533	L	68.1	Low	68.4	Low	19 Å²	19	100.8 Å²	100.8	10%	0.099	50%	0.495	C	S	.	.	H	α-helix	trans	-70.2	-43.9	166.5	-64.9	177	0	0	0	110.1	I511 E515 I528 S529 P530 M536 I537	I511-L533 HydrophobicContact CG2-CB 4.17Å; I511-L533 HydrophobicContact CG2-CD2 4.2Å; E515-L533 HydrophobicContact CG-CD1 4.46Å; I528-L533 HydrophobicContact CG2-CD2 3.72Å; I528-L533 HydrophobicContact CG2-CG 3.86Å; S529-L533 PolarHBondContact O-N 3.37Å; P530-L533 WeakPolarHBondContact O-CB 3.38Å; P530-L533 PolarHBondContact O-N 2.81Å; L533-M536 WeakPolarHBondContact O-CB 3.27Å; L533-M536 PolarHBondContact O-N 3.29Å; L533-M536 VanDerWaalsContact O-N 3.13Å; L533-I537 WeakPolarHBondContact O-CG1 3.47Å; L533-I537 PolarHBondContact O-N 3.04Å
534	R	72.9	Confident	70.1	Confident	166 Å²	166	94.2 Å²	94.2	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-61.7	-43.7	175.1	-173.8	167.8	-67.1	-179.7	-0.7	112.9	P530 N531 M536 I537 E538	P530-R534 PolarHBondContact O-N 3.45Å; N531-R534 WeakPolarHBondContact O-CB 3.2Å; N531-R534 PolarHBondContact O-N 2.89Å; R534-M536 PolarHBondContact O-N 3.3Å; R534-I537 PolarHBondContact O-N 2.57Å; R534-I537 VanDerWaalsContact O-N 3.17Å; R534-E538 PolarHBondContact O-N 2.76Å
535	D	79.1	Confident	71.8	Confident	100 Å²	100	96.8 Å²	96.8	54%	0.535	47%	0.472	S	S	.	.	H	α-helix	trans	-56.6	-38.7	173.4	-60.8	-26.1	0	0	0	111.3	N531 D539	N531-D535 PolarHBondContact O-N 3.17Å; D535-D539 WeakPolarHBondContact O-CB 3.36Å; D535-D539 PolarHBondContact O-N 3.31Å; D535-D539 VanDerWaalsContact O-N 3.08Å
536	M	76.7	Confident	73.4	Confident	69 Å²	69	95.8 Å²	95.8	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-72.6	-38.4	177.1	-75.4	175.9	56.8	0	0	112.7	I511 K532 L533 R534 Y540	I511-M536 HydrophobicContact CD1-CE 4.18Å; K532-M536 VanDerWaalsContact O-CG 3.29Å; K532-M536 WeakPolarHBondContact O-CG 3.36Å; K532-M536 PolarHBondContact O-N 3.01Å; L533-M536 WeakPolarHBondContact O-CB 3.27Å; L533-M536 PolarHBondContact O-N 3.29Å; L533-M536 VanDerWaalsContact O-N 3.13Å; R534-M536 PolarHBondContact O-N 3.3Å; M536-Y540 HydrophobicContact CE-CE2 4.39Å; M536-Y540 WeakPolarHBondContact O-CB 3.48Å; M536-Y540 WeakPolarHBondContact O-CD2 3.21Å; M536-Y540 PolarHBondContact O-N 3.12Å
537	I	77.7	Confident	74.9	Confident	18 Å²	18	87.5 Å²	87.5	9%	0.092	43%	0.426	C	S	.	.	H	α-helix	trans	-60.8	-47	172	-65.4	167.4	0	0	0	109.6	V508 I511 L533 R534 D539 Y540 E541	V508-I537 HydrophobicContact CG1-CG2 4.43Å; I511-I537 HydrophobicContact CB-CG1 4.5Å; I511-I537 HydrophobicContact CG2-CD1 3.92Å; I511-I537 HydrophobicContact CG2-CG1 3.86Å; L533-I537 WeakPolarHBondContact O-CG1 3.47Å; L533-I537 PolarHBondContact O-N 3.04Å; R534-I537 PolarHBondContact O-N 2.57Å; R534-I537 VanDerWaalsContact O-N 3.17Å; I537-D539 PolarHBondContact O-N 3.11Å; I537-Y540 CarbonylContact O-C 3.56Å; I537-Y540 PolarHBondContact O-N 3.46Å; I537-Y540 VanDerWaalsContact O-N 3.17Å; I537-E541 HydrophobicContact CG2-CG 4.35Å; I537-E541 PolarHBondContact O-N 3.12Å
538	E	82	Confident	76.3	Confident	123 Å²	123	86.4 Å²	86.4	58%	0.575	41%	0.411	S	S	*	.	H	α-helix	trans	-65.5	-37.9	-178.1	-170.4	167.3	-165.8	0	0	112.7	R534 E541 Q542	R534-E538 PolarHBondContact O-N 2.76Å; E538-E541 PolarHBondContact O-N 3Å; E538-Q542 VanDerWaalsContact O-CB 3.31Å; E538-Q542 WeakPolarHBondContact O-CB 3.49Å; E538-Q542 PolarHBondContact O-N 2.85Å
539	D	83.4	Confident	77.3	Confident	61 Å²	61	92.1 Å²	92.1	33%	0.326	43%	0.427	S	S	.	.	H	α-helix	trans	-64.9	-40.8	171	170.2	49.4	0	0	0	112.4	D535 I537 Q542 K543	D535-D539 WeakPolarHBondContact O-CB 3.36Å; D535-D539 PolarHBondContact O-N 3.31Å; D535-D539 VanDerWaalsContact O-N 3.08Å; I537-D539 PolarHBondContact O-N 3.11Å; D539-Q542 PolarHBondContact O-N 3.23Å; D539-K543 WeakPolarHBondContact O-CB 3.25Å; D539-K543 WeakPolarHBondContact O-CD 3.49Å; D539-K543 VanDerWaalsContact O-CG 3.31Å; D539-K543 WeakPolarHBondContact O-CG 3.46Å; D539-K543 PolarHBondContact O-N 3.34Å; D539-K543 WeakPolarHBondContact OD1-CE 3.27Å; D539-K543 IonicContact OD1-NZ 2.82Å; D539-K543 PolarHBondContact OD1-NZ 3.47Å; D539-K543 IonicContact OD2-NZ 3.77Å; D539-K543 PolarHBondContact OD2-NZ 3.36Å
540	Y	81.7	Confident	78.1	Confident	53 Å²	53	94.4 Å²	94.4	21%	0.208	43%	0.429	C	S	.	.	H	α-helix	trans	-65.8	-44.2	173.6	-79.6	-53	0	0	0	112.4	I504 K507 V508 I511 M536 I537 Q542 K543 Q544	I504-Y540 HydrophobicContact CG1-CD1 4.26Å; I504-Y540 HydrophobicContact CG2-CD1 3.93Å; I504-Y540 HydrophobicContact CG2-CG 4.26Å; K507-Y540 HydrophobicContact CB-CE1 4.48Å; K507-Y540 HydrophobicContact CB-CE2 4.31Å; K507-Y540 HydrophobicContact CD-CE1 4.29Å; V508-Y540 HydrophobicContact CG2-CD2 4.45Å; V508-Y540 HydrophobicContact CG2-CG 4.27Å; I511-Y540 HydrophobicContact CD1-CD2 4.16Å; I511-Y540 HydrophobicContact CD1-CE2 3.92Å; M536-Y540 HydrophobicContact CE-CE2 4.39Å; M536-Y540 WeakPolarHBondContact O-CB 3.48Å; M536-Y540 WeakPolarHBondContact O-CD2 3.21Å; M536-Y540 PolarHBondContact O-N 3.12Å; I537-Y540 CarbonylContact O-C 3.56Å; I537-Y540 PolarHBondContact O-N 3.46Å; I537-Y540 VanDerWaalsContact O-N 3.17Å; Y540-Q542 VanDerWaalsContact C-N 3.33Å; Y540-Q542 PolarHBondContact O-N 3.25Å; Y540-K543 PolarHBondContact O-N 2.76Å; Y540-Q544 WeakPolarHBondContact O-CB 3.45Å; Y540-Q544 PolarHBondContact O-N 2.83Å
541	E	80.2	Confident	79	Confident	76 Å²	76	90.7 Å²	90.7	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-41	171.9	-78.3	-169.8	-150.9	0	0	111.9	I537 E538 K543 Q544 R545	I537-E541 HydrophobicContact CG2-CG 4.35Å; I537-E541 PolarHBondContact O-N 3.12Å; E538-E541 PolarHBondContact O-N 3Å; E541-K543 VanDerWaalsContact C-N 3.35Å; E541-Q544 PolarHBondContact O-N 3.21Å; E541-R545 WeakPolarHBondContact O-CB 3.5Å; E541-R545 VanDerWaalsContact O-CG 3.27Å; E541-R545 WeakPolarHBondContact O-CG 3.37Å; E541-R545 PolarHBondContact O-N 2.86Å; E541-R545 IonicContact OE2-CZ 3.87Å; E541-R545 IonicContact OE2-NE 3.5Å; E541-R545 IonicContact OE2-NH2 3.38Å; E541-R545 PolarHBondContact OE2-NH2 3.43Å
542	Q	84.4	Confident	79.6	Confident	121 Å²	121	88.6 Å²	88.6	57%	0.565	39%	0.391	S	S	*	.	H	α-helix	trans	-65.1	-41.8	178.5	-166.6	-178.7	44.1	0	0	110.6	E538 D539 Y540 R545 I546	E538-Q542 VanDerWaalsContact O-CB 3.31Å; E538-Q542 WeakPolarHBondContact O-CB 3.49Å; E538-Q542 PolarHBondContact O-N 2.85Å; D539-Q542 PolarHBondContact O-N 3.23Å; Y540-Q542 VanDerWaalsContact C-N 3.33Å; Y540-Q542 PolarHBondContact O-N 3.25Å; Q542-R545 PolarHBondContact O-N 3.4Å; Q542-I546 HydrophobicContact CG-CD1 4.24Å; Q542-I546 VanDerWaalsContact O-CG1 3.26Å; Q542-I546 WeakPolarHBondContact O-CG1 3.47Å; Q542-I546 PolarHBondContact O-N 2.82Å
543	K	82.3	Confident	80.1	Confident	89 Å²	89	89.4 Å²	89.4	39%	0.387	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-43.9	172.8	-74.4	162.1	178.9	160.4	0	112	I504 D539 Y540 E541 I546 L547	I504-K543 HydrophobicContact CD1-CB 4.22Å; D539-K543 WeakPolarHBondContact O-CB 3.25Å; D539-K543 WeakPolarHBondContact O-CD 3.49Å; D539-K543 VanDerWaalsContact O-CG 3.31Å; D539-K543 WeakPolarHBondContact O-CG 3.46Å; D539-K543 PolarHBondContact O-N 3.34Å; D539-K543 WeakPolarHBondContact OD1-CE 3.27Å; D539-K543 IonicContact OD1-NZ 2.82Å; D539-K543 PolarHBondContact OD1-NZ 3.47Å; D539-K543 IonicContact OD2-NZ 3.77Å; D539-K543 PolarHBondContact OD2-NZ 3.36Å; Y540-K543 PolarHBondContact O-N 2.76Å; E541-K543 VanDerWaalsContact C-N 3.35Å; K543-I546 PolarHBondContact O-N 2.91Å; K543-L547 WeakPolarHBondContact O-CB 3.42Å; K543-L547 WeakPolarHBondContact O-CG 3.36Å; K543-L547 PolarHBondContact O-N 3.03Å
544	Q	79.3	Confident	80.7	Confident	69 Å²	69	88.8 Å²	88.8	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-60.1	-47.4	175.3	-165.1	-155.7	50.4	0	0	110.7	M501 I504 D505 Y540 E541 I546 L547 Y548	M501-Q544 HydrophobicContact CG-CG 4Å; M501-Q544 HydrophobicContact SD-CG 4.29Å; I504-Q544 HydrophobicContact CG2-CB 4.32Å; D505-Q544 PolarHBondContact OD1-NE2 2.89Å; Y540-Q544 WeakPolarHBondContact O-CB 3.45Å; Y540-Q544 PolarHBondContact O-N 2.83Å; E541-Q544 PolarHBondContact O-N 3.21Å; Q544-I546 VanDerWaalsContact C-N 3.34Å; Q544-I546 PolarHBondContact O-N 3.41Å; Q544-L547 PolarHBondContact O-N 3Å; Q544-Y548 WeakPolarHBondContact O-CB 3.46Å; Q544-Y548 PolarHBondContact O-N 3.07Å
545	R	81.3	Confident	81.2	Confident	136 Å²	136	83.1 Å²	83.1	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-36.8	175.2	-72.4	-177.1	-117.2	177.2	2	112.8	E541 Q542 R549	E541-R545 WeakPolarHBondContact O-CB 3.5Å; E541-R545 VanDerWaalsContact O-CG 3.27Å; E541-R545 WeakPolarHBondContact O-CG 3.37Å; E541-R545 PolarHBondContact O-N 2.86Å; E541-R545 IonicContact OE2-CZ 3.87Å; E541-R545 IonicContact OE2-NE 3.5Å; E541-R545 IonicContact OE2-NH2 3.38Å; E541-R545 PolarHBondContact OE2-NH2 3.43Å; Q542-R545 PolarHBondContact O-N 3.4Å; R545-R549 WeakPolarHBondContact O-CG 3.5Å; R545-R549 PolarHBondContact O-N 3.03Å; R545-R549 VanDerWaalsContact O-N 3.14Å
546	I	83.7	Confident	81.5	Confident	79 Å²	79	81.2 Å²	81.2	41%	0.405	37%	0.365	S	S	.	.	H	α-helix	trans	-70	-43.8	174.8	-70.6	165.2	0	0	0	111.4	Q542 K543 Q544 R549 K550	Q542-I546 HydrophobicContact CG-CD1 4.24Å; Q542-I546 VanDerWaalsContact O-CG1 3.26Å; Q542-I546 WeakPolarHBondContact O-CG1 3.47Å; Q542-I546 PolarHBondContact O-N 2.82Å; K543-I546 PolarHBondContact O-N 2.91Å; Q544-I546 VanDerWaalsContact C-N 3.34Å; Q544-I546 PolarHBondContact O-N 3.41Å; I546-R549 PolarHBondContact O-N 3.45Å; I546-K550 HydrophobicContact CG2-CD 4.2Å; I546-K550 WeakPolarHBondContact O-CG 3.47Å; I546-K550 PolarHBondContact O-N 2.97Å
547	L	79.4	Confident	81.7	Confident	38 Å²	38	78.9 Å²	78.9	20%	0.199	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-44	175.8	-75.7	170.2	0	0	0	111.3	R497 I504 K543 Q544 R549 K550 N551	R497-L547 HydrophobicContact CG-CD2 4.47Å; I504-L547 HydrophobicContact CD1-CD1 3.59Å; K543-L547 WeakPolarHBondContact O-CB 3.42Å; K543-L547 WeakPolarHBondContact O-CG 3.36Å; K543-L547 PolarHBondContact O-N 3.03Å; Q544-L547 PolarHBondContact O-N 3Å; L547-R549 PolarHBondContact O-N 2.98Å; L547-K550 CarbonylContact O-C 3.55Å; L547-K550 PolarHBondContact O-N 2.73Å; L547-K550 VanDerWaalsContact O-N 3.12Å; L547-N551 WeakPolarHBondContact O-CB 3.41Å; L547-N551 VanDerWaalsContact O-CG 3.32Å; L547-N551 PolarHBondContact O-N 3.19Å; L547-N551 PolarHBondContact O-OD1 3.11Å
548	Y	80.7	Confident	81.9	Confident	131 Å²	131	78.6 Å²	78.6	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-56.8	-48.6	175.7	-170.7	-87	0	0	0	111.8	Q544 K550 N551 Q552	Q544-Y548 WeakPolarHBondContact O-CB 3.46Å; Q544-Y548 PolarHBondContact O-N 3.07Å; Y548-K550 VanDerWaalsContact C-N 3.34Å; Y548-K550 PolarHBondContact O-N 3.17Å; Y548-N551 PolarHBondContact O-N 2.99Å; Y548-Q552 HydrophobicContact CD1-CG 4.01Å; Y548-Q552 HydrophobicContact CE1-CG 3.71Å; Y548-Q552 WeakPolarHBondContact O-CG 3.43Å; Y548-Q552 PolarHBondContact O-N 2.89Å; Y548-Q552 PolarHBondContact OH-NE2 3.41Å
549	R	81.8	Confident	81.7	Confident	202 Å²	202	80.8 Å²	80.8	76%	0.762	36%	0.355	S	S	*	.	H	α-helix	trans	-60.2	-40.1	174.6	-75	178.4	175.9	-177.3	-0.4	112.7	R545 I546 L547 N551 F553	R545-R549 WeakPolarHBondContact O-CG 3.5Å; R545-R549 PolarHBondContact O-N 3.03Å; R545-R549 VanDerWaalsContact O-N 3.14Å; I546-R549 PolarHBondContact O-N 3.45Å; L547-R549 PolarHBondContact O-N 2.98Å; R549-N551 VanDerWaalsContact C-N 3.35Å; R549-F553 PolarHBondContact O-N 3.14Å
550	K	79.2	Confident	81.6	Confident	113 Å²	113	81.7 Å²	81.7	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-70.5	-28.5	176.4	-74.4	179.1	178.3	179.5	0	113.1	R497 I546 L547 Y548 L554	R497-K550 PolarHBondContact NH1-O 2.81Å; I546-K550 HydrophobicContact CG2-CD 4.2Å; I546-K550 WeakPolarHBondContact O-CG 3.47Å; I546-K550 PolarHBondContact O-N 2.97Å; L547-K550 CarbonylContact O-C 3.55Å; L547-K550 PolarHBondContact O-N 2.73Å; L547-K550 VanDerWaalsContact O-N 3.12Å; Y548-K550 VanDerWaalsContact C-N 3.34Å; Y548-K550 PolarHBondContact O-N 3.17Å; K550-L554 PolarHBondContact O-N 3.07Å
551	N	83.8	Confident	81.5	Confident	9 Å²	9	80.2 Å²	80.2	5%	0.048	35%	0.353	C	S	.	.	H	α-helix	trans	-78.7	-37.4	175.3	-73.4	0.4	0	0	0	111.4	L494 R497 L547 Y548 R549 F553 L554 I555	L494-N551 HydrophobicContact CD1-CB 3.85Å; R497-N551 VanDerWaalsContact CB-OD1 3.29Å; R497-N551 WeakPolarHBondContact CB-OD1 3.43Å; R497-N551 WeakPolarHBondContact CD-OD1 3.49Å; L547-N551 WeakPolarHBondContact O-CB 3.41Å; L547-N551 VanDerWaalsContact O-CG 3.32Å; L547-N551 PolarHBondContact O-N 3.19Å; L547-N551 PolarHBondContact O-OD1 3.11Å; Y548-N551 PolarHBondContact O-N 2.99Å; R549-N551 VanDerWaalsContact C-N 3.35Å; N551-F553 VanDerWaalsContact C-N 3.28Å; N551-F553 PolarHBondContact O-N 2.63Å; N551-L554 PolarHBondContact O-N 2.93Å; N551-L554 VanDerWaalsContact O-N 3.15Å; N551-I555 WeakPolarHBondContact O-CB 3.22Å; N551-I555 VanDerWaalsContact O-CG1 3.26Å; N551-I555 WeakPolarHBondContact O-CG1 3.48Å; N551-I555 PolarHBondContact O-N 2.89Å
552	Q	80.4	Confident	81.4	Confident	75 Å²	75	78.3 Å²	78.3	35%	0.35	35%	0.35	S	S	.	.	H	α-helix	trans	-56.5	-41.8	171	-74.1	-69.7	-8.5	0	0	111.9	Y548 I555 T556	Y548-Q552 HydrophobicContact CD1-CG 4.01Å; Y548-Q552 HydrophobicContact CE1-CG 3.71Å; Y548-Q552 WeakPolarHBondContact O-CG 3.43Å; Y548-Q552 PolarHBondContact O-N 2.89Å; Y548-Q552 PolarHBondContact OH-NE2 3.41Å; Q552-I555 PolarHBondContact O-N 2.78Å; Q552-T556 PolarHBondContact O-N 3.37Å; Q552-T556 PolarHBondContact O-OG1 3.17Å
553	F	84.6	Confident	81.1	Confident	130 Å²	130	75.6 Å²	75.6	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-61.1	-47.9	173	-176.3	-89.2	0	0	0	112.6	R549 N551 I555 T556 E557	R549-F553 PolarHBondContact O-N 3.14Å; N551-F553 VanDerWaalsContact C-N 3.28Å; N551-F553 PolarHBondContact O-N 2.63Å; F553-I555 VanDerWaalsContact C-N 3.31Å; F553-I555 PolarHBondContact O-N 2.9Å; F553-T556 PolarHBondContact O-N 3.34Å; F553-E557 PolarHBondContact O-N 2.83Å
554	L	81	Confident	80.9	Confident	6 Å²	6	74.6 Å²	74.6	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-41	176	-72.8	-179.2	0	0	0	112.2	L490 M493 L494 K550 N551 T556 E557 I558	L490-L554 HydrophobicContact CD2-CD2 3.58Å; M493-L554 HydrophobicContact CB-CD1 4.31Å; M493-L554 HydrophobicContact CG-CD1 4.19Å; M493-L554 HydrophobicContact SD-CD1 4.27Å; M493-L554 HydrophobicContact SD-CD2 4.16Å; L494-L554 HydrophobicContact CB-CD1 4.15Å; L494-L554 HydrophobicContact CD1-CB 3.94Å; L494-L554 HydrophobicContact CD1-CD1 4.05Å; K550-L554 PolarHBondContact O-N 3.07Å; N551-L554 PolarHBondContact O-N 2.93Å; N551-L554 VanDerWaalsContact O-N 3.15Å; L554-T556 VanDerWaalsContact C-N 3.32Å; L554-T556 PolarHBondContact O-N 2.85Å; L554-E557 PolarHBondContact O-N 2.77Å; L554-I558 WeakPolarHBondContact O-CB 3.19Å; L554-I558 WeakPolarHBondContact O-CD1 3.36Å; L554-I558 WeakPolarHBondContact O-CG1 3.38Å; L554-I558 PolarHBondContact O-N 2.83Å
555	I	82.6	Confident	80.8	Confident	47 Å²	47	74.4 Å²	74.4	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-38.6	178.8	-70.2	163.2	0	0	0	110.7	L494 N551 Q552 F553 R559	L494-I555 HydrophobicContact CD1-CD1 4.34Å; L494-I555 HydrophobicContact CD1-CG1 3.93Å; L494-I555 HydrophobicContact CD2-CG1 4.16Å; N551-I555 WeakPolarHBondContact O-CB 3.22Å; N551-I555 VanDerWaalsContact O-CG1 3.26Å; N551-I555 WeakPolarHBondContact O-CG1 3.48Å; N551-I555 PolarHBondContact O-N 2.89Å; Q552-I555 PolarHBondContact O-N 2.78Å; F553-I555 VanDerWaalsContact C-N 3.31Å; F553-I555 PolarHBondContact O-N 2.9Å; I555-R559 WeakPolarHBondContact O-CB 3.17Å; I555-R559 VanDerWaalsContact O-CG 3.23Å; I555-R559 WeakPolarHBondContact O-CG 3.2Å; I555-R559 PolarHBondContact O-N 3.11Å
556	T	84.8	Confident	80.6	Confident	61 Å²	61	75.5 Å²	75.5	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-66.5	-47.9	173.6	-59.3	0	0	0	0	111.7	Q552 F553 L554 I558 R559 E560	Q552-T556 PolarHBondContact O-N 3.37Å; Q552-T556 PolarHBondContact O-OG1 3.17Å; F553-T556 PolarHBondContact O-N 3.34Å; L554-T556 VanDerWaalsContact C-N 3.32Å; L554-T556 PolarHBondContact O-N 2.85Å; T556-I558 VanDerWaalsContact C-N 3.33Å; T556-I558 PolarHBondContact O-N 2.65Å; T556-R559 WeakPolarHBondContact O-CB 3.47Å; T556-R559 PolarHBondContact O-N 3.33Å; T556-E560 PolarHBondContact O-N 3.29Å
557	E	81.7	Confident	80.4	Confident	20 Å²	20	77.5 Å²	77.5	9%	0.093	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-38.9	177.9	-167.6	-179	169.3	0	0	112	R486 L490 F553 L554 R559 E560 L561	R486-E557 IonicContact CZ-OE1 3.75Å; R486-E557 IonicContact NE-OE1 3.72Å; R486-E557 PolarHBondContact NE-OE1 2.99Å; R486-E557 IonicContact NH2-OE1 2.77Å; R486-E557 PolarHBondContact NH2-OE1 2.82Å; L490-E557 HydrophobicContact CD1-CB 4.41Å; L490-E557 HydrophobicContact CD1-CG 3.81Å; L490-E557 WeakPolarHBondContact CD1-OE1 3.26Å; F553-E557 PolarHBondContact O-N 2.83Å; L554-E557 PolarHBondContact O-N 2.77Å; E557-R559 VanDerWaalsContact C-N 3.33Å; E557-R559 PolarHBondContact O-N 2.9Å; E557-E560 PolarHBondContact O-N 2.67Å; E557-L561 HydrophobicContact CG-CD1 4.39Å; E557-L561 WeakPolarHBondContact O-CB 3.21Å; E557-L561 WeakPolarHBondContact O-CG 3.24Å; E557-L561 PolarHBondContact O-N 3.4Å
558	I	81.9	Confident	80.3	Confident	12 Å²	12	78.6 Å²	78.6	6%	0.062	36%	0.358	C	S	.	.	H	α-helix	trans	-65.3	-34.7	174.1	-69.1	163	0	0	0	111.4	E487 L490 R491 L494 L554 T556 A562	E487-I558 HydrophobicContact CG-CG2 4.47Å; L490-I558 HydrophobicContact CB-CD1 4.02Å; L490-I558 HydrophobicContact CB-CG1 3.75Å; L490-I558 HydrophobicContact CD1-CG1 4.49Å; R491-I558 HydrophobicContact CG-CD1 4.01Å; R491-I558 HydrophobicContact CG-CG1 4.46Å; R491-I558 HydrophobicContact CG-CG2 4.36Å; L494-I558 HydrophobicContact CB-CD1 4.47Å; L494-I558 HydrophobicContact CD2-CD1 4.33Å; L554-I558 WeakPolarHBondContact O-CB 3.19Å; L554-I558 WeakPolarHBondContact O-CD1 3.36Å; L554-I558 WeakPolarHBondContact O-CG1 3.38Å; L554-I558 PolarHBondContact O-N 2.83Å; T556-I558 VanDerWaalsContact C-N 3.33Å; T556-I558 PolarHBondContact O-N 2.65Å; I558-A562 VanDerWaalsContact O-CB 3.22Å; I558-A562 WeakPolarHBondContact O-CB 3.36Å; I558-A562 PolarHBondContact O-N 2.94Å
559	R	78	Confident	80.1	Confident	169 Å²	169	74.7 Å²	74.7	64%	0.638	35%	0.349	S	S	*	.	H	α-helix	trans	-70.5	-41	174.8	-75.9	167.6	177.6	176.4	0	112.3	I555 T556 E557 A562 S563	I555-R559 WeakPolarHBondContact O-CB 3.17Å; I555-R559 VanDerWaalsContact O-CG 3.23Å; I555-R559 WeakPolarHBondContact O-CG 3.2Å; I555-R559 PolarHBondContact O-N 3.11Å; T556-R559 WeakPolarHBondContact O-CB 3.47Å; T556-R559 PolarHBondContact O-N 3.33Å; E557-R559 VanDerWaalsContact C-N 3.33Å; E557-R559 PolarHBondContact O-N 2.9Å; R559-A562 PolarHBondContact O-N 2.6Å; R559-S563 PolarHBondContact O-N 3.39Å
560	E	81.9	Confident	79.9	Confident	79 Å²	79	67.6 Å²	67.6	37%	0.369	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-45.4	175	-71.2	173	-171.8	0	0	111.2	T556 E557 A562 S563 I564	T556-E560 PolarHBondContact O-N 3.29Å; E557-E560 PolarHBondContact O-N 2.67Å; E560-A562 VanDerWaalsContact C-N 3.32Å; E560-A562 PolarHBondContact O-N 3.39Å; E560-S563 PolarHBondContact O-N 3.09Å; E560-S563 PolarHBondContact O-OG 3.07Å; E560-I564 WeakPolarHBondContact O-CG1 3.17Å; E560-I564 PolarHBondContact O-N 3.12Å
561	L	79.1	Confident	79.9	Confident	22 Å²	22	65.9 Å²	65.9	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-64.3	-36	174	-69.8	170.9	0	0	0	112.2	R486 L490 E557 K565	R486-L561 HydrophobicContact CB-CD1 4.28Å; R486-L561 HydrophobicContact CG-CD1 3.88Å; L490-L561 HydrophobicContact CD1-CD1 3.46Å; L490-L561 VanDerWaalsContact CD1-CD1 3.46Å; E557-L561 HydrophobicContact CG-CD1 4.39Å; E557-L561 WeakPolarHBondContact O-CB 3.21Å; E557-L561 WeakPolarHBondContact O-CG 3.24Å; E557-L561 PolarHBondContact O-N 3.4Å; L561-K565 WeakPolarHBondContact O-CB 3.38Å; L561-K565 PolarHBondContact O-N 2.82Å
562	A	77.3	Confident	79.5	Confident	36 Å²	36	67.1 Å²	67.1	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-66.7	-34.9	175.7	0	0	0	0	0	113.1	I558 R559 E560 Y566	I558-A562 VanDerWaalsContact O-CB 3.22Å; I558-A562 WeakPolarHBondContact O-CB 3.36Å; I558-A562 PolarHBondContact O-N 2.94Å; R559-A562 PolarHBondContact O-N 2.6Å; E560-A562 VanDerWaalsContact C-N 3.32Å; E560-A562 PolarHBondContact O-N 3.39Å; A562-Y566 WeakPolarHBondContact O-CB 3.44Å; A562-Y566 PolarHBondContact O-N 2.9Å
563	S	78.3	Confident	79.2	Confident	65 Å²	65	67.7 Å²	67.7	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-74.2	-40.2	175.2	69	0	0	0	0	112.1	R559 E560 Y566 M567	R559-S563 PolarHBondContact O-N 3.39Å; E560-S563 PolarHBondContact O-N 3.09Å; E560-S563 PolarHBondContact O-OG 3.07Å; S563-Y566 WeakPolarHBondContact O-CB 3.23Å; S563-Y566 PolarHBondContact O-N 2.87Å; S563-M567 WeakPolarHBondContact O-CG 3.2Å; S563-M567 PolarHBondContact O-N 2.81Å
564	I	78.8	Confident	78.9	Confident	67 Å²	67	67.4 Å²	67.4	34%	0.344	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-47.8	172.7	-69.5	166.4	0	0	0	110.6	E560 Y566 M567 F568	E560-I564 WeakPolarHBondContact O-CG1 3.17Å; E560-I564 PolarHBondContact O-N 3.12Å; I564-Y566 VanDerWaalsContact C-N 3.34Å; I564-Y566 PolarHBondContact O-N 3.02Å; I564-M567 PolarHBondContact O-N 3.42Å; I564-F568 HydrophobicContact CG2-CD2 3.65Å; I564-F568 HydrophobicContact CG2-CE2 3.51Å; I564-F568 WeakPolarHBondContact O-CD2 3.13Å; I564-F568 PolarHBondContact O-N 3.26Å
565	K	75.4	Confident	78.7	Confident	65 Å²	65	69.6 Å²	69.6	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-54.7	-46.5	172.9	170.7	-177.7	178.3	170.8	0	112.1	L480 L484 E487 L561 F568 T569	L480-K565 HydrophobicContact CD1-CB 4.45Å; L480-K565 HydrophobicContact CD1-CG 4.23Å; L484-K565 HydrophobicContact CD2-CD 3.75Å; L484-K565 HydrophobicContact CD2-CG 4.29Å; E487-K565 IonicContact OE1-NZ 2.7Å; E487-K565 WeakPolarHBondContact OE2-CD 3.47Å; E487-K565 IonicContact OE2-NZ 3.52Å; E487-K565 PolarHBondContact OE2-NZ 3.09Å; L561-K565 WeakPolarHBondContact O-CB 3.38Å; L561-K565 PolarHBondContact O-N 2.82Å; K565-F568 PolarHBondContact O-N 3.23Å; K565-T569 WeakPolarHBondContact O-CG2 3.42Å; K565-T569 PolarHBondContact O-N 3.17Å; K565-T569 PolarHBondContact O-OG1 3.13Å; K565-T569 VanDerWaalsContact O-OG1 3.13Å
566	Y	78.5	Confident	78.3	Confident	159 Å²	159	70.2 Å²	70.2	62%	0.624	35%	0.352	S	S	*	.	H	α-helix	trans	-60.8	-45.5	176.8	176.9	-96.9	0	0	0	112.1	A562 S563 I564 F568 T569 D570	A562-Y566 WeakPolarHBondContact O-CB 3.44Å; A562-Y566 PolarHBondContact O-N 2.9Å; S563-Y566 WeakPolarHBondContact O-CB 3.23Å; S563-Y566 PolarHBondContact O-N 2.87Å; I564-Y566 VanDerWaalsContact C-N 3.34Å; I564-Y566 PolarHBondContact O-N 3.02Å; Y566-F568 PolarHBondContact O-N 3.18Å; Y566-T569 PolarHBondContact O-N 2.72Å; Y566-T569 PolarHBondContact O-OG1 2.92Å; Y566-T569 VanDerWaalsContact O-OG1 3.06Å; Y566-D570 WeakPolarHBondContact O-CB 3.3Å; Y566-D570 PolarHBondContact O-N 2.61Å
567	M	78.2	Confident	77.8	Confident	122 Å²	122	74.3 Å²	74.3	60%	0.601	36%	0.364	S	S	*	.	H	α-helix	trans	-63.6	-42	177.4	-66.9	-160.9	-56.9	0	0	112.4	S563 I564 H571	S563-M567 WeakPolarHBondContact O-CG 3.2Å; S563-M567 PolarHBondContact O-N 2.81Å; I564-M567 PolarHBondContact O-N 3.42Å; M567-H571 VanDerWaalsContact O-CB 3.32Å; M567-H571 WeakPolarHBondContact O-CB 3.35Å; M567-H571 PolarHBondContact O-N 2.58Å
568	F	78.1	Confident	77.7	Confident	60 Å²	60	79.5 Å²	79.5	26%	0.263	38%	0.384	S	S	.	.	H	α-helix	trans	-66.7	-39	176.3	-79.4	-55.4	0	0	0	112.8	L476 L480 I564 K565 Y566 S572	L476-F568 HydrophobicContact CD2-CD1 3.96Å; L476-F568 HydrophobicContact CD2-CE1 3.64Å; L480-F568 HydrophobicContact CD1-CB 4.08Å; I564-F568 HydrophobicContact CG2-CD2 3.65Å; I564-F568 HydrophobicContact CG2-CE2 3.51Å; I564-F568 WeakPolarHBondContact O-CD2 3.13Å; I564-F568 PolarHBondContact O-N 3.26Å; K565-F568 PolarHBondContact O-N 3.23Å; Y566-F568 PolarHBondContact O-N 3.18Å; F568-S572 VanDerWaalsContact O-CB 3.23Å; F568-S572 WeakPolarHBondContact O-CB 3.3Å; F568-S572 PolarHBondContact O-N 3.42Å
569	T	75.9	Confident	77.6	Confident	50 Å²	50	81.7 Å²	81.7	31%	0.307	40%	0.395	S	S	.	.	H	α-helix	trans	-69.9	-40	176.2	56	0	0	0	0	111.9	L480 K565 Y566 S572 N573	L480-T569 HydrophobicContact CD1-CG2 4.41Å; L480-T569 HydrophobicContact CD2-CG2 3.98Å; K565-T569 WeakPolarHBondContact O-CG2 3.42Å; K565-T569 PolarHBondContact O-N 3.17Å; K565-T569 PolarHBondContact O-OG1 3.13Å; K565-T569 VanDerWaalsContact O-OG1 3.13Å; Y566-T569 PolarHBondContact O-N 2.72Å; Y566-T569 PolarHBondContact O-OG1 2.92Å; Y566-T569 VanDerWaalsContact O-OG1 3.06Å; T569-S572 PolarHBondContact O-N 3.45Å; T569-N573 VanDerWaalsContact O-CB 3.26Å; T569-N573 WeakPolarHBondContact O-CB 3.13Å; T569-N573 PolarHBondContact O-N 3.08Å; T569-N573 PolarHBondContact O-ND2 2.71Å; T569-N573 VanDerWaalsContact O-ND2 3.16Å
570	D	79	Confident	77.6	Confident	52 Å²	52	79.7 Å²	79.7	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-47.1	172.8	174.3	57.4	0	0	0	112	Y566 S572 N573 K574	Y566-D570 WeakPolarHBondContact O-CB 3.3Å; Y566-D570 PolarHBondContact O-N 2.61Å; D570-S572 PolarHBondContact O-N 3.38Å; D570-N573 PolarHBondContact O-N 2.79Å; D570-K574 WeakPolarHBondContact O-CB 3.39Å; D570-K574 WeakPolarHBondContact O-CG 3.35Å; D570-K574 PolarHBondContact O-N 2.97Å; D570-K574 WeakPolarHBondContact OD1-CE 3.48Å; D570-K574 IonicContact OD1-NZ 3.73Å; D570-K574 PolarHBondContact OD1-NZ 2.93Å; D570-K574 VanDerWaalsContact OD2-CE 3.26Å; D570-K574 WeakPolarHBondContact OD2-CE 3.25Å; D570-K574 IonicContact OD2-NZ 2.84Å; D570-K574 PolarHBondContact OD2-NZ 3.01Å
571	H	78.8	Confident	77.4	Confident	77 Å²	77	83.9 Å²	83.9	36%	0.356	41%	0.406	S	S	.	.	H	α-helix	trans	-61.4	-45	175.3	-173.8	-92.5	0	0	0	112.1	M567 N573 K574 M575	M567-H571 VanDerWaalsContact O-CB 3.32Å; M567-H571 WeakPolarHBondContact O-CB 3.35Å; M567-H571 PolarHBondContact O-N 2.58Å; H571-N573 VanDerWaalsContact C-N 3.31Å; H571-N573 PolarHBondContact O-N 2.96Å; H571-K574 PolarHBondContact O-N 3.09Å; H571-M575 WeakPolarHBondContact O-CB 2.84Å; H571-M575 PolarHBondContact O-N 2.76Å
572	S	74.3	Confident	77.5	Confident	35 Å²	35	86.5 Å²	86.5	25%	0.245	42%	0.419	C	S	.	.	H	α-helix	trans	-60	-40.2	174.6	-179.3	0	0	0	0	111.9	F568 T569 D570 S576	F568-S572 VanDerWaalsContact O-CB 3.23Å; F568-S572 WeakPolarHBondContact O-CB 3.3Å; F568-S572 PolarHBondContact O-N 3.42Å; T569-S572 PolarHBondContact O-N 3.45Å; D570-S572 PolarHBondContact O-N 3.38Å; S572-S576 VanDerWaalsContact O-CB 3.26Å; S572-S576 WeakPolarHBondContact O-CB 3.39Å; S572-S576 PolarHBondContact O-N 2.79Å; S572-S576 PolarHBondContact O-OG 3.13Å
573	N	75.4	Confident	77.7	Confident	88 Å²	88	88.8 Å²	88.8	47%	0.471	43%	0.427	S	S	.	.	H	α-helix	trans	-69.9	-40.3	177.9	-73.2	-22.7	0	0	0	112	T569 D570 H571 S576 K577	T569-N573 VanDerWaalsContact O-CB 3.26Å; T569-N573 WeakPolarHBondContact O-CB 3.13Å; T569-N573 PolarHBondContact O-N 3.08Å; T569-N573 PolarHBondContact O-ND2 2.71Å; T569-N573 VanDerWaalsContact O-ND2 3.16Å; D570-N573 PolarHBondContact O-N 2.79Å; H571-N573 VanDerWaalsContact C-N 3.31Å; H571-N573 PolarHBondContact O-N 2.96Å; N573-S576 PolarHBondContact O-N 3.27Å; N573-K577 WeakPolarHBondContact O-CB 3.28Å; N573-K577 VanDerWaalsContact O-CG 3.28Å; N573-K577 WeakPolarHBondContact O-CG 3.49Å; N573-K577 PolarHBondContact O-N 3.22Å
574	K	77.3	Confident	77.8	Confident	123 Å²	123	89 Å²	89	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-49.3	174.5	-76.6	168	173.6	167.4	0	111.4	D570 H571 S576 K577 Y578	D570-K574 WeakPolarHBondContact O-CB 3.39Å; D570-K574 WeakPolarHBondContact O-CG 3.35Å; D570-K574 PolarHBondContact O-N 2.97Å; D570-K574 WeakPolarHBondContact OD1-CE 3.48Å; D570-K574 IonicContact OD1-NZ 3.73Å; D570-K574 PolarHBondContact OD1-NZ 2.93Å; D570-K574 VanDerWaalsContact OD2-CE 3.26Å; D570-K574 WeakPolarHBondContact OD2-CE 3.25Å; D570-K574 IonicContact OD2-NZ 2.84Å; D570-K574 PolarHBondContact OD2-NZ 3.01Å; H571-K574 PolarHBondContact O-N 3.09Å; K574-S576 PolarHBondContact O-N 3.28Å; K574-K577 PolarHBondContact O-N 3.48Å; K574-Y578 WeakPolarHBondContact O-CB 3.4Å; K574-Y578 PolarHBondContact O-N 2.68Å
575	M	76.9	Confident	78	Confident	53 Å²	53	89.9 Å²	89.9	26%	0.261	42%	0.424	S	S	.	.	H	α-helix	trans	-62.4	-41.3	176.4	-178.3	58.3	85.8	0	0	111.8	I473 H571 K577 Y578 I579	I473-M575 HydrophobicContact CD1-CG 3.84Å; I473-M575 HydrophobicContact CG1-CG 4.31Å; H571-M575 WeakPolarHBondContact O-CB 2.84Å; H571-M575 PolarHBondContact O-N 2.76Å; M575-K577 PolarHBondContact O-N 3.42Å; M575-Y578 PolarHBondContact O-N 2.62Å; M575-Y578 HydrophobicContact SD-CD1 4.18Å; M575-I579 HydrophobicContact CG-CD1 3.94Å; M575-I579 WeakPolarHBondContact O-CG1 3.28Å; M575-I579 PolarHBondContact O-N 2.85Å; M575-I579 HydrophobicContact SD-CD1 4.05Å; M575-I579 HydrophobicContact SD-CG1 4.15Å
576	S	73.9	Confident	78.5	Confident	60 Å²	60	87.8 Å²	87.8	42%	0.42	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.1	-59.1	0	0	0	0	112.1	S572 N573 K574 Q580	S572-S576 VanDerWaalsContact O-CB 3.26Å; S572-S576 WeakPolarHBondContact O-CB 3.39Å; S572-S576 PolarHBondContact O-N 2.79Å; S572-S576 PolarHBondContact O-OG 3.13Å; N573-S576 PolarHBondContact O-N 3.27Å; K574-S576 PolarHBondContact O-N 3.28Å; S576-Q580 WeakPolarHBondContact O-CB 3.13Å; S576-Q580 PolarHBondContact O-N 3.29Å
577	K	75	Confident	78.9	Confident	147 Å²	147	81.4 Å²	81.4	64%	0.639	40%	0.396	S	S	*	.	H	α-helix	trans	-65.4	-35.7	174.1	-73.7	172.4	-179.3	-178.7	0	112.6	N573 K574 M575 Q580 R581	N573-K577 WeakPolarHBondContact O-CB 3.28Å; N573-K577 VanDerWaalsContact O-CG 3.28Å; N573-K577 WeakPolarHBondContact O-CG 3.49Å; N573-K577 PolarHBondContact O-N 3.22Å; K574-K577 PolarHBondContact O-N 3.48Å; M575-K577 PolarHBondContact O-N 3.42Å; K577-Q580 PolarHBondContact O-N 3.11Å; K577-R581 PolarHBondContact O-N 3.08Å
578	Y	79.5	Confident	79.2	Confident	129 Å²	129	80.7 Å²	80.7	51%	0.506	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-48	175.6	-179.3	-109.7	0	0	0	111.8	K574 M575 Q580 R581 L582	K574-Y578 WeakPolarHBondContact O-CB 3.4Å; K574-Y578 PolarHBondContact O-N 2.68Å; M575-Y578 PolarHBondContact O-N 2.62Å; M575-Y578 HydrophobicContact SD-CD1 4.18Å; Y578-Q580 VanDerWaalsContact C-N 3.29Å; Y578-Q580 PolarHBondContact O-N 3.4Å; Y578-R581 WeakPolarHBondContact O-CB 3.36Å; Y578-R581 PolarHBondContact O-N 3.1Å; Y578-R581 VanDerWaalsContact O-N 3.13Å; Y578-L582 HydrophobicContact CD1-CD1 4.01Å; Y578-L582 HydrophobicContact CE1-CD1 3.46Å; Y578-L582 VanDerWaalsContact CE1-CD1 3.46Å; Y578-L582 HydrophobicContact CE1-CG 4.21Å; Y578-L582 HydrophobicContact CE2-CD1 4.46Å; Y578-L582 HydrophobicContact CE2-CG 4.39Å; Y578-L582 PolarHBondContact O-N 2.93Å
579	I	79.7	Confident	79.7	Confident	58 Å²	58	86.4 Å²	86.4	30%	0.297	41%	0.41	S	S	.	.	H	α-helix	trans	-60.1	-39.7	173.5	-69.6	170.1	0	0	0	111	I473 M575 L582 N583	I473-I579 HydrophobicContact CD1-CD1 3.54Å; M575-I579 HydrophobicContact CG-CD1 3.94Å; M575-I579 WeakPolarHBondContact O-CG1 3.28Å; M575-I579 PolarHBondContact O-N 2.85Å; M575-I579 HydrophobicContact SD-CD1 4.05Å; M575-I579 HydrophobicContact SD-CG1 4.15Å; I579-L582 PolarHBondContact O-N 2.97Å; I579-N583 WeakPolarHBondContact CG2-ND2 3.13Å; I579-N583 WeakPolarHBondContact O-CB 3.36Å; I579-N583 PolarHBondContact O-N 2.9Å; I579-N583 PolarHBondContact O-ND2 2.73Å
580	Q	77.5	Confident	80.4	Confident	127 Å²	127	87.5 Å²	87.5	59%	0.593	41%	0.408	S	S	*	.	H	α-helix	trans	-62	-45.9	174	-170.4	178.2	7.9	0	0	111.3	S576 K577 Y578 N583 M584	S576-Q580 WeakPolarHBondContact O-CB 3.13Å; S576-Q580 PolarHBondContact O-N 3.29Å; K577-Q580 PolarHBondContact O-N 3.11Å; Y578-Q580 VanDerWaalsContact C-N 3.29Å; Y578-Q580 PolarHBondContact O-N 3.4Å; Q580-N583 PolarHBondContact O-N 3.36Å; Q580-M584 VanDerWaalsContact O-CG 3.25Å; Q580-M584 WeakPolarHBondContact O-CG 3.38Å; Q580-M584 PolarHBondContact O-N 2.8Å
581	R	78.4	Confident	80.8	Confident	166 Å²	166	87.8 Å²	87.8	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-58.9	-48.7	175.8	-177.5	-179.1	-68.3	172.1	-3.3	112	K577 Y578 N583 M584 E585	K577-R581 PolarHBondContact O-N 3.08Å; Y578-R581 WeakPolarHBondContact O-CB 3.36Å; Y578-R581 PolarHBondContact O-N 3.1Å; Y578-R581 VanDerWaalsContact O-N 3.13Å; R581-N583 VanDerWaalsContact C-N 3.33Å; R581-N583 PolarHBondContact O-N 2.65Å; R581-M584 PolarHBondContact O-N 3.31Å; R581-M584 VanDerWaalsContact O-N 3.14Å; R581-E585 WeakPolarHBondContact CG-OE1 3.35Å; R581-E585 PolarHBondContact O-N 3.45Å
582	L	81.7	Confident	81	Confident	78 Å²	78	87.3 Å²	87.3	41%	0.408	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-39.7	177.8	-72.6	179.6	0	0	0	112.6	Y578 I579 E585 G586	Y578-L582 HydrophobicContact CD1-CD1 4.01Å; Y578-L582 HydrophobicContact CE1-CD1 3.46Å; Y578-L582 VanDerWaalsContact CE1-CD1 3.46Å; Y578-L582 HydrophobicContact CE1-CG 4.21Å; Y578-L582 HydrophobicContact CE2-CD1 4.46Å; Y578-L582 HydrophobicContact CE2-CG 4.39Å; Y578-L582 PolarHBondContact O-N 2.93Å; I579-L582 PolarHBondContact O-N 2.97Å; L582-E585 PolarHBondContact O-N 3.5Å; L582-G586 PolarHBondContact O-N 3.16Å
583	N	81.6	Confident	81.7	Confident	84 Å²	84	90.7 Å²	90.7	45%	0.449	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-42	174.3	-82.3	-71.4	0	0	0	111.9	I579 Q580 R581 G586 F587	I579-N583 WeakPolarHBondContact CG2-ND2 3.13Å; I579-N583 WeakPolarHBondContact O-CB 3.36Å; I579-N583 PolarHBondContact O-N 2.9Å; I579-N583 PolarHBondContact O-ND2 2.73Å; Q580-N583 PolarHBondContact O-N 3.36Å; R581-N583 VanDerWaalsContact C-N 3.33Å; R581-N583 PolarHBondContact O-N 2.65Å; N583-G586 CarbonylContact O-C 3.33Å; N583-G586 PolarHBondContact O-N 2.91Å; N583-F587 HydrophobicContact CB-CE2 4.19Å; N583-F587 WeakPolarHBondContact O-CD2 3.49Å; N583-F587 WeakPolarHBondContact O-CG 3.4Å; N583-F587 PolarHBondContact O-N 3.35Å
584	M	80.3	Confident	82.3	Confident	68 Å²	68	86.5 Å²	86.5	34%	0.335	39%	0.389	S	S	.	.	H	α-helix	trans	-64.9	-42	177.2	-64.7	-66.6	-80.3	0	0	111.7	Q580 R581 G586 F587 K588 L684	Q580-M584 VanDerWaalsContact O-CG 3.25Å; Q580-M584 WeakPolarHBondContact O-CG 3.38Å; Q580-M584 PolarHBondContact O-N 2.8Å; R581-M584 PolarHBondContact O-N 3.31Å; R581-M584 VanDerWaalsContact O-N 3.14Å; M584-G586 VanDerWaalsContact C-N 3.33Å; M584-G586 PolarHBondContact O-N 2.83Å; M584-F587 PolarHBondContact O-N 3.25Å; M584-K588 WeakPolarHBondContact O-CB 3.38Å; M584-K588 PolarHBondContact O-N 3.12Å; M584-L684 HydrophobicContact CE-CD2 4.41Å; M584-L684 WeakPolarHBondContact CE-O 3.2Å; M584-L684 VanDerWaalsContact O-CD2 3.24Å; M584-L684 WeakPolarHBondContact O-CD2 3.08Å
585	E	83.3	Confident	82.5	Confident	87 Å²	87	84 Å²	84	41%	0.407	38%	0.378	S	S	.	.	H	α-helix	trans	-62.8	-40.4	171.9	-72	171.6	-165.7	0	0	111.3	R581 L582 F587 K588 W589	R581-E585 WeakPolarHBondContact CG-OE1 3.35Å; R581-E585 PolarHBondContact O-N 3.45Å; L582-E585 PolarHBondContact O-N 3.5Å; E585-F587 PolarHBondContact O-N 2.78Å; E585-K588 WeakPolarHBondContact O-CB 3.45Å; E585-K588 PolarHBondContact O-N 3.05Å; E585-W589 PolarHBondContact O-N 2.57Å
586	G	86.1	Confident	82.7	Confident	21 Å²	21	86.3 Å²	86.3	22%	0.216	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-32.5	174.6	0	0	0	0	0	114.8	L582 N583 M584 R590	L582-G586 PolarHBondContact O-N 3.16Å; N583-G586 CarbonylContact O-C 3.33Å; N583-G586 PolarHBondContact O-N 2.91Å; M584-G586 VanDerWaalsContact C-N 3.33Å; M584-G586 PolarHBondContact O-N 2.83Å; G586-R590 WeakPolarHBondContact O-CG 3.14Å; G586-R590 PolarHBondContact O-N 3Å; G586-R590 PolarHBondContact O-NH1 3.43Å
587	F	86.7	Confident	82.9	Confident	25 Å²	25	83.7 Å²	83.7	11%	0.11	37%	0.372	C	S	.	.	H	α-helix	trans	-77.4	-36.3	170.5	-62.2	-48.6	0	0	0	112	N583 M584 E585 R590 R591 K636 Y680 Q683 L684	N583-F587 HydrophobicContact CB-CE2 4.19Å; N583-F587 WeakPolarHBondContact O-CD2 3.49Å; N583-F587 WeakPolarHBondContact O-CG 3.4Å; N583-F587 PolarHBondContact O-N 3.35Å; M584-F587 PolarHBondContact O-N 3.25Å; E585-F587 PolarHBondContact O-N 2.78Å; F587-R590 PolarHBondContact O-N 2.88Å; F587-R591 WeakPolarHBondContact O-CB 3.31Å; F587-R591 PolarHBondContact O-N 3.41Å; F587-K636 VanDerWaalsContact CZ-NZ 3.28Å; F587-Y680 AromaticContact CD1-CD1 3.94Å; F587-Y680 HydrophobicContact CD1-CD1 3.94Å; F587-Y680 HydrophobicContact CD1-CE1 4.28Å; F587-Q683 HydrophobicContact CD1-CB 4.49Å; F587-Q683 HydrophobicContact CD2-CB 4.04Å; F587-Q683 HydrophobicContact CE2-CB 4.44Å; F587-Q683 HydrophobicContact CG-CB 4.12Å; F587-L684 HydrophobicContact CB-CD1 4.41Å; F587-L684 HydrophobicContact CB-CD2 3.89Å; F587-L684 HydrophobicContact CB-CG 3.88Å
588	K	84.4	Confident	83	Confident	107 Å²	107	77.4 Å²	77.4	47%	0.465	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-50.3	176.6	-177.2	-173.8	174	-170.9	0	110.6	M584 E585 R591 E592 L684	M584-K588 WeakPolarHBondContact O-CB 3.38Å; M584-K588 PolarHBondContact O-N 3.12Å; E585-K588 WeakPolarHBondContact O-CB 3.45Å; E585-K588 PolarHBondContact O-N 3.05Å; K588-R591 PolarHBondContact O-N 2.89Å; K588-E592 WeakPolarHBondContact O-CG 3.29Å; K588-E592 PolarHBondContact O-N 3.2Å; K588-L684 HydrophobicContact CB-CD1 4.43Å; K588-L684 HydrophobicContact CB-CD2 4.05Å
589	W	87.7	Confident	82.5	Confident	179 Å²	179	74.7 Å²	74.7	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-64.3	-41.7	177.8	-70.2	119.2	0	0	0	112.5	E585 R591 Y593	E585-W589 PolarHBondContact O-N 2.57Å; W589-R591 PolarHBondContact O-N 3.13Å; W589-Y593 WeakPolarHBondContact O-CB 3.22Å; W589-Y593 PolarHBondContact O-N 3.31Å
590	R	90.7	Very high	81.9	Confident	74 Å²	74	74.9 Å²	74.9	28%	0.279	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-43.7	172.1	-77.9	-178.4	-175.7	78.3	-15.1	112.1	G586 F587 Y593 V594 E632 Y680	G586-R590 WeakPolarHBondContact O-CG 3.14Å; G586-R590 PolarHBondContact O-N 3Å; G586-R590 PolarHBondContact O-NH1 3.43Å; F587-R590 PolarHBondContact O-N 2.88Å; R590-Y593 PolarHBondContact O-N 2.77Å; R590-V594 WeakPolarHBondContact O-CG2 3.31Å; R590-V594 PolarHBondContact O-N 3.43Å; R590-E632 IonicContact CZ-OE1 3.99Å; R590-E632 IonicContact CZ-OE2 2.82Å; R590-E632 IonicContact NE-OE1 3.35Å; R590-E632 IonicContact NE-OE2 3.27Å; R590-E632 PolarHBondContact NE-OE2 3.46Å; R590-E632 VanDerWaalsContact NH2-CD 3.32Å; R590-E632 IonicContact NH2-OE1 2.74Å; R590-E632 PolarHBondContact NH2-OE1 3.43Å; R590-E632 IonicContact NH2-OE2 2.84Å; R590-E632 PolarHBondContact NH2-OE2 2.94Å; R590-Y680 HydrophobicContact CB-CD1 4.19Å; R590-Y680 HydrophobicContact CB-CD2 4.04Å; R590-Y680 HydrophobicContact CB-CE1 4.1Å; R590-Y680 HydrophobicContact CB-CE2 3.96Å; R590-Y680 HydrophobicContact CB-CG 4.19Å; R590-Y680 VanDerWaalsContact CD-CE1 3.44Å; R590-Y680 HydrophobicContact CG-CE1 4.44Å
591	R	87.4	Confident	81.2	Confident	57 Å²	57	69 Å²	69	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-53.5	178.5	-174.2	-172.8	66.3	-173.9	3.9	112	F587 K588 W589 Y593 V594 K595 Y677 T681 L684	F587-R591 WeakPolarHBondContact O-CB 3.31Å; F587-R591 PolarHBondContact O-N 3.41Å; K588-R591 PolarHBondContact O-N 2.89Å; W589-R591 PolarHBondContact O-N 3.13Å; R591-Y593 VanDerWaalsContact C-N 3.28Å; R591-Y593 PolarHBondContact O-N 3.06Å; R591-V594 PolarHBondContact O-N 3.34Å; R591-K595 PolarHBondContact O-N 3.46Å; R591-Y677 HydrophobicContact CG-CD2 3.4Å; R591-Y677 HydrophobicContact CG-CE2 3.41Å; R591-Y677 VanDerWaalsContact CG-CE2 3.41Å; R591-Y677 HydrophobicContact CG-CG 4.29Å; R591-T681 WeakPolarHBondContact CD-OG1 3.3Å; R591-L684 HydrophobicContact CB-CD1 4.09Å
592	E	84.1	Confident	79.9	Confident	67 Å²	67	61.7 Å²	61.7	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-64.7	-35.4	-179.6	-57.1	-42	136.4	0	0	111.5	K588 K595 L596	K588-E592 WeakPolarHBondContact O-CG 3.29Å; K588-E592 PolarHBondContact O-N 3.2Å; E592-K595 PolarHBondContact O-N 3.33Å; E592-L596 WeakPolarHBondContact O-CB 3.15Å; E592-L596 PolarHBondContact O-N 3.38Å
593	Y	88.9	Confident	78.2	Confident	106 Å²	106	61 Å²	61	42%	0.416	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-44.5	176.2	-173.3	-108.7	0	0	0	112.5	W589 R590 R591 K595 L596 L597 L625	W589-Y593 WeakPolarHBondContact O-CB 3.22Å; W589-Y593 PolarHBondContact O-N 3.31Å; R590-Y593 PolarHBondContact O-N 2.77Å; R591-Y593 VanDerWaalsContact C-N 3.28Å; R591-Y593 PolarHBondContact O-N 3.06Å; Y593-K595 VanDerWaalsContact C-N 3.34Å; Y593-K595 PolarHBondContact O-N 2.8Å; Y593-L596 PolarHBondContact O-N 2.8Å; Y593-L597 HydrophobicContact CD1-CD1 3.99Å; Y593-L597 HydrophobicContact CD1-CG 4.38Å; Y593-L597 HydrophobicContact CE1-CD1 3.63Å; Y593-L597 HydrophobicContact CE1-CD2 4.44Å; Y593-L597 HydrophobicContact CE1-CG 4.07Å; Y593-L597 WeakPolarHBondContact O-CG 3.48Å; Y593-L597 PolarHBondContact O-N 3.09Å; Y593-L625 HydrophobicContact CE1-CD2 3.75Å; Y593-L625 VanDerWaalsContact OH-CD2 3.27Å; Y593-L625 WeakPolarHBondContact OH-CD2 3.27Å
594	V	88.1	Confident	76.2	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-39.3	174.2	169.9	0	0	0	0	111.6	R590 R591 L596 L597 Q598 L629 C673 L676 Y680	R590-V594 WeakPolarHBondContact O-CG2 3.31Å; R590-V594 PolarHBondContact O-N 3.43Å; R591-V594 PolarHBondContact O-N 3.34Å; V594-L596 VanDerWaalsContact C-N 3.32Å; V594-L596 PolarHBondContact O-N 2.79Å; V594-L597 PolarHBondContact O-N 3.13Å; V594-Q598 WeakPolarHBondContact O-CB 3.45Å; V594-Q598 PolarHBondContact O-N 3.43Å; V594-L629 HydrophobicContact CG2-CD1 4.06Å; V594-C673 HydrophobicContact CG1-CB 4.02Å; V594-C673 WeakPolarHBondContact CG1-O 3.27Å; V594-L676 HydrophobicContact CG1-CB 3.83Å; V594-L676 HydrophobicContact CG2-CB 4.24Å; V594-L676 HydrophobicContact CG2-CD1 4.24Å; V594-Y680 HydrophobicContact CG2-CD2 4.4Å; V594-Y680 HydrophobicContact CG2-CE2 4.11Å
595	K	81.2	Confident	74.2	Confident	70 Å²	70	65.2 Å²	65.2	30%	0.304	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-40.6	174.1	-165.5	178.6	-163.5	156.9	0	111.8	R591 E592 Y593 Q598 A599 Y677	R591-K595 PolarHBondContact O-N 3.46Å; E592-K595 PolarHBondContact O-N 3.33Å; Y593-K595 VanDerWaalsContact C-N 3.34Å; Y593-K595 PolarHBondContact O-N 2.8Å; K595-Q598 PolarHBondContact O-N 3.32Å; K595-A599 PolarHBondContact O-N 2.65Å; K595-Y677 HydrophobicContact CB-CD2 3.92Å; K595-Y677 HydrophobicContact CB-CE2 4.01Å; K595-Y677 HydrophobicContact CD-CD2 4.44Å; K595-Y677 HydrophobicContact CD-CE2 3.73Å; K595-Y677 HydrophobicContact CG-CD2 4.33Å; K595-Y677 HydrophobicContact CG-CE2 4.1Å; K595-Y677 PolarHBondContact NZ-OH 2.86Å
596	L	79.8	Confident	72	Confident	102 Å²	102	62.4 Å²	62.4	53%	0.534	32%	0.319	S	S	.	.	H	α-helix	trans	-68.1	-42.3	176.9	-167.5	151	0	0	0	111.4	E592 Y593 V594 Q598 A599 C600	E592-L596 WeakPolarHBondContact O-CB 3.15Å; E592-L596 PolarHBondContact O-N 3.38Å; Y593-L596 PolarHBondContact O-N 2.8Å; V594-L596 VanDerWaalsContact C-N 3.32Å; V594-L596 PolarHBondContact O-N 2.79Å; L596-Q598 PolarHBondContact O-N 2.82Å; L596-A599 PolarHBondContact O-N 3.45Å; L596-C600 WeakPolarHBondContact O-CB 3.32Å; L596-C600 PolarHBondContact O-N 2.98Å; L596-C600 PolarHBondContact O-SG 3.25Å; L596-C600 VanDerWaalsContact O-SG 3.34Å
597	L	79.4	Confident	69.7	Low	5 Å²	5	64 Å²	64	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-46	171.2	-71.5	177	0	0	0	111.9	Y593 V594 A599 C600 L601 Y622 I626	Y593-L597 HydrophobicContact CD1-CD1 3.99Å; Y593-L597 HydrophobicContact CD1-CG 4.38Å; Y593-L597 HydrophobicContact CE1-CD1 3.63Å; Y593-L597 HydrophobicContact CE1-CD2 4.44Å; Y593-L597 HydrophobicContact CE1-CG 4.07Å; Y593-L597 WeakPolarHBondContact O-CG 3.48Å; Y593-L597 PolarHBondContact O-N 3.09Å; V594-L597 PolarHBondContact O-N 3.13Å; L597-A599 VanDerWaalsContact C-N 3.31Å; L597-A599 PolarHBondContact O-N 3.16Å; L597-C600 PolarHBondContact O-N 2.86Å; L597-L601 WeakPolarHBondContact O-CB 3.29Å; L597-L601 WeakPolarHBondContact O-CD1 3.19Å; L597-L601 VanDerWaalsContact O-CG 3.26Å; L597-L601 WeakPolarHBondContact O-CG 3.46Å; L597-L601 PolarHBondContact O-N 3.45Å; L597-Y622 HydrophobicContact CD2-CD1 3.46Å; L597-Y622 VanDerWaalsContact CD2-CD1 3.46Å; L597-Y622 HydrophobicContact CD2-CE1 3.69Å; L597-Y622 HydrophobicContact CD2-CG 4.32Å; L597-I626 HydrophobicContact CD1-CD1 4.41Å; L597-I626 HydrophobicContact CD1-CG1 4.11Å
598	Q	76.6	Confident	67.4	Low	16 Å²	16	66.8 Å²	66.8	8%	0.075	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-41.8	177.1	-163.5	-175.6	28.7	0	0	111.8	V594 K595 L596 G602 H670 C673	V594-Q598 WeakPolarHBondContact O-CB 3.45Å; V594-Q598 PolarHBondContact O-N 3.43Å; K595-Q598 PolarHBondContact O-N 3.32Å; L596-Q598 PolarHBondContact O-N 2.82Å; Q598-G602 PolarHBondContact O-N 3.35Å; Q598-H670 PolarHBondContact NE2-CE1 3.49Å; Q598-C673 HydrophobicContact CB-CB 3.82Å; Q598-C673 HydrophobicContact CG-CB 3.86Å
599	A	69.1	Low	65.4	Low	71 Å²	71	66 Å²	66	59%	0.587	34%	0.341	S	S	*	.	H	α-helix	trans	-69.8	-40.8	176.4	0	0	0	0	0	113.1	K595 L596 L597 L601 G602	K595-A599 PolarHBondContact O-N 2.65Å; L596-A599 PolarHBondContact O-N 3.45Å; L597-A599 VanDerWaalsContact C-N 3.31Å; L597-A599 PolarHBondContact O-N 3.16Å; A599-L601 VanDerWaalsContact C-N 3.26Å; A599-L601 PolarHBondContact O-N 2.83Å; A599-G602 PolarHBondContact O-N 3.02Å
600	C	66.8	Low	63.3	Low	63 Å²	63	61.1 Å²	61.1	43%	0.426	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-29	175.6	-72.3	0	0	0	0	113.1	L596 L597	L596-C600 WeakPolarHBondContact O-CB 3.32Å; L596-C600 PolarHBondContact O-N 2.98Å; L596-C600 PolarHBondContact O-SG 3.25Å; L596-C600 VanDerWaalsContact O-SG 3.34Å; L597-C600 PolarHBondContact O-N 2.86Å
601	L	63.3	Low	60.8	Low	4 Å²	4	66.7 Å²	66.7	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-72.4	-51.8	169.6	-70.1	163.7	0	0	0	110.2	L597 A599 A603 F614 Y622 I626 T666 I669	L597-L601 WeakPolarHBondContact O-CB 3.29Å; L597-L601 WeakPolarHBondContact O-CD1 3.19Å; L597-L601 VanDerWaalsContact O-CG 3.26Å; L597-L601 WeakPolarHBondContact O-CG 3.46Å; L597-L601 PolarHBondContact O-N 3.45Å; A599-L601 VanDerWaalsContact C-N 3.26Å; A599-L601 PolarHBondContact O-N 2.83Å; L601-A603 PolarHBondContact O-N 3Å; L601-A603 VanDerWaalsContact O-N 3.13Å; L601-F614 VanDerWaalsContact C-CD1 3.48Å; L601-F614 HydrophobicContact CB-CD1 3.95Å; L601-F614 HydrophobicContact CB-CE1 4.38Å; L601-F614 WeakPolarHBondContact O-CD1 3.5Å; L601-Y622 HydrophobicContact CD2-CD2 4.42Å; L601-I626 HydrophobicContact CD1-CD1 4.3Å; L601-T666 HydrophobicContact CD2-CG2 4.16Å; L601-I669 HydrophobicContact CD1-CG2 3.56Å; L601-I669 HydrophobicContact CD2-CG2 4.49Å
602	G	51.4	Low	58.5	Low	11 Å²	11	66.8 Å²	66.8	11%	0.113	35%	0.351	C	S	.	.	S	Bend	trans	-86.2	59.1	-166	0	0	0	0	0	117.6	Q598 A599 L951	Q598-G602 PolarHBondContact O-N 3.35Å; A599-G602 PolarHBondContact O-N 3.02Å; G602-L951 WeakPolarHBondContact O-CD1 3.23Å
603	A	44.9	Very low	56.3	Low	64 Å²	64	68.3 Å²	68.3	53%	0.529	36%	0.359	S	S	.	.			trans	170.4	104.7	139.8	0	0	0	0	0	114	L601	L601-A603 PolarHBondContact O-N 3Å; L601-A603 VanDerWaalsContact O-N 3.13Å
604	T	39.2	Very low	54.2	Low	62 Å²	62	64.2 Å²	64.2	38%	0.38	34%	0.344	S	S	.	.	S	Bend	trans	-138.8	98.9	159	53.8	0	0	0	0	111.7	M613 S615	T604-M613 PolarHBondContact N-O 2.91Å; T604-M613 VanDerWaalsContact N-O 3.09Å; T604-M613 WeakPolarHBondContact O-CB 3.37Å; T604-S615 WeakPolarHBondContact OG1-CA 3.38Å; T604-S615 WeakPolarHBondContact OG1-CB 3.38Å; T604-S615 PolarHBondContact OG1-N 3.42Å
605	Q	38.4	Very low	52.3	Low	178 Å²	178	66 Å²	66	83%	0.832	36%	0.356	S	S	*	.			trans	65.1	145.9	-179.8	-55.9	-176.9	-2.6	0	0	115.2	M613	Q605-M613 WeakPolarHBondContact O-CB 3.31Å; Q605-M613 PolarHBondContact O-N 3.46Å
606	T	36.9	Very low	50.8	Low	29 Å²	29	67.8 Å²	67.8	18%	0.178	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-104.5	115.8	165.1	37.7	0	0	0	0	108.5	K943	T606-K943 PolarHBondContact O-NZ 2.89Å; T606-K943 WeakPolarHBondContact OG1-CB 3.44Å; T606-K943 WeakPolarHBondContact OG1-CD 3.32Å; T606-K943 VanDerWaalsContact OG1-CG 3.27Å; T606-K943 WeakPolarHBondContact OG1-CG 3.45Å
607	D	38.2	Very low	49.3	Very low	54 Å²	54	72.8 Å²	72.8	29%	0.289	38%	0.382	S	S	.	.			trans	-57.4	149.6	169.7	159.8	73.5	0	0	0	111	H609 H610 M613	D607-H609 PolarHBondContact O-N 2.85Å; D607-H609 WeakPolarHBondContact OD2-CA 3.11Å; D607-H609 WeakPolarHBondContact OD2-CB 3.4Å; D607-H609 IonicContact OD2-CD2 3.82Å; D607-H609 PolarHBondContact OD2-CD2 3Å; D607-H609 IonicContact OD2-CG 2.6Å; D607-H609 PolarHBondContact OD2-N 2.8Å; D607-H610 PolarHBondContact O-N 3.48Å; D607-M613 HydrophobicContact CB-CG 4.03Å
608	P	38.2	Very low	48.1	Very low	84 Å²	84	74.1 Å²	74.1	55%	0.545	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-12.2	172.6	15.4	-31.6	0	0	0	117.1	F1159	P608-F1159 WeakPolarHBondContact O-CE2 3.39Å; P608-F1159 WeakPolarHBondContact O-CZ 3.48Å
609	H	42.8	Very low	47.3	Very low	89 Å²	89	75.9 Å²	75.9	41%	0.412	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	18.4	171.3	-58.9	-96.7	0	0	0	114.9	D607 R611 T1156	D607-H609 PolarHBondContact O-N 2.85Å; D607-H609 WeakPolarHBondContact OD2-CA 3.11Å; D607-H609 WeakPolarHBondContact OD2-CB 3.4Å; D607-H609 IonicContact OD2-CD2 3.82Å; D607-H609 PolarHBondContact OD2-CD2 3Å; D607-H609 IonicContact OD2-CG 2.6Å; D607-H609 PolarHBondContact OD2-N 2.8Å; H609-R611 PolarHBondContact O-N 3.29Å; H609-T1156 PolarHBondContact CE1-OG1 3.19Å
610	H	43.4	Very low	47.2	Very low	77 Å²	77	77.7 Å²	77.7	36%	0.356	40%	0.404	S	S	.	.			trans	61.2	15.1	173.9	-79	-22.2	0	0	0	115.8	D607 K946 F1159	D607-H610 PolarHBondContact O-N 3.48Å; H610-K946 PolarHBondContact CD2-NZ 3.35Å; H610-K946 PolarHBondContact NE2-NZ 2.88Å; H610-F1159 HydrophobicContact CB-CZ 3.81Å; H610-F1159 AromaticContact CD2-CE2 3.35Å; H610-F1159 WeakPolarHBondContact CD2-CE2 3.17Å; H610-F1159 AromaticContact CD2-CZ 3.33Å; H610-F1159 WeakPolarHBondContact CD2-CZ 3.29Å; H610-F1159 AromaticContact CE1-CE2 3.63Å; H610-F1159 AromaticContact CG-CE2 3.64Å; H610-F1159 AromaticContact CG-CZ 3.39Å; H610-F1159 AromaticContact ND1-CE2 3.8Å; H610-F1159 AromaticContact ND1-CZ 3.94Å; H610-F1159 AromaticContact NE2-CD2 3.9Å; H610-F1159 AromaticContact NE2-CE2 3.4Å; H610-F1159 WeakPolarHBondContact NE2-CE2 3.24Å; H610-F1159 AromaticContact NE2-CZ 3.91Å
611	R	37.8	Very low	47.4	Very low	192 Å²	192	84.7 Å²	84.7	73%	0.725	42%	0.422	S	S	*	.			trans	-78.5	143.4	167.2	-68.2	-178	176	177.9	-0.2	110.1	H609 M613	H609-R611 PolarHBondContact O-N 3.29Å; R611-M613 PolarHBondContact O-N 3.33Å
612	L	40.7	Very low	47.9	Very low	58 Å²	58	88 Å²	88	30%	0.304	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-69.7	114.8	167.3	-82.9	158	0	0	0	107.8	F614 L951	L612-F614 HydrophobicContact CB-CD2 4.34Å; L612-F614 HydrophobicContact CB-CE2 3.75Å; L612-F614 HydrophobicContact CB-CZ 4.4Å; L612-F614 VanDerWaalsContact O-CD2 3.28Å; L612-F614 WeakPolarHBondContact O-CD2 3.38Å; L612-F614 WeakPolarHBondContact O-CE2 3.36Å; L612-L951 HydrophobicContact CD1-CD2 4.47Å
613	M	36.3	Very low	49.1	Very low	100 Å²	100	90.1 Å²	90.1	49%	0.493	44%	0.44	S	S	.	.			trans	-85.7	135	165.6	-66.1	-67.1	-75.5	0	0	108.5	T604 Q605 D607 R611	T604-M613 PolarHBondContact N-O 2.91Å; T604-M613 VanDerWaalsContact N-O 3.09Å; T604-M613 WeakPolarHBondContact O-CB 3.37Å; Q605-M613 WeakPolarHBondContact O-CB 3.31Å; Q605-M613 PolarHBondContact O-N 3.46Å; D607-M613 HydrophobicContact CB-CG 4.03Å; R611-M613 PolarHBondContact O-N 3.33Å
614	F	46.6	Very low	50.9	Low	20 Å²	20	91.6 Å²	91.6	9%	0.088	44%	0.44	C	S	.	.			trans	-110.9	142.6	-179.8	-67	-111.6	0	0	0	107.1	L601 L612 D616 T666 H670	L601-F614 VanDerWaalsContact C-CD1 3.48Å; L601-F614 HydrophobicContact CB-CD1 3.95Å; L601-F614 HydrophobicContact CB-CE1 4.38Å; L601-F614 WeakPolarHBondContact O-CD1 3.5Å; L612-F614 HydrophobicContact CB-CD2 4.34Å; L612-F614 HydrophobicContact CB-CE2 3.75Å; L612-F614 HydrophobicContact CB-CZ 4.4Å; L612-F614 VanDerWaalsContact O-CD2 3.28Å; L612-F614 WeakPolarHBondContact O-CD2 3.38Å; L612-F614 WeakPolarHBondContact O-CE2 3.36Å; F614-D616 PolarHBondContact O-N 2.88Å; F614-T666 HydrophobicContact CB-CG2 3.52Å; F614-T666 HydrophobicContact CD1-CG2 3.7Å; F614-T666 HydrophobicContact CD2-CG2 4.31Å; F614-T666 HydrophobicContact CE1-CG2 4.48Å; F614-T666 HydrophobicContact CG-CG2 3.62Å; F614-H670 HydrophobicContact CE1-CB 4.15Å; F614-H670 HydrophobicContact CZ-CB 4.48Å
615	S	47.9	Very low	53.1	Low	36 Å²	36	91.2 Å²	91.2	25%	0.252	44%	0.435	S	S	.	.			trans	-71.3	127.9	-177.3	119.2	0	0	0	0	110.2	T604 Y617	T604-S615 WeakPolarHBondContact OG1-CA 3.38Å; T604-S615 WeakPolarHBondContact OG1-CB 3.38Å; T604-S615 PolarHBondContact OG1-N 3.42Å; S615-Y617 PolarHBondContact O-N 3.29Å; S615-Y617 VanDerWaalsContact O-N 3.17Å; S615-Y617 PolarHBondContact OG-N 3Å
616	D	49.3	Very low	55.4	Low	109 Å²	109	82.8 Å²	82.8	58%	0.583	40%	0.396	S	S	*	.			trans	-70.7	-5.5	178	-69	-36.9	0	0	0	113.5	F614 G618 K619	F614-D616 PolarHBondContact O-N 2.88Å; D616-G618 PolarHBondContact O-N 3.34Å; D616-K619 PolarHBondContact O-N 3.49Å; D616-K619 VanDerWaalsContact O-N 3.12Å; D616-K619 VanDerWaalsContact OD1-CD 3.3Å; D616-K619 WeakPolarHBondContact OD1-CD 3.45Å; D616-K619 WeakPolarHBondContact OD1-CE 3.09Å; D616-K619 IonicContact OD1-NZ 2.71Å; D616-K619 PolarHBondContact OD1-NZ 3.22Å
617	Y	47.6	Very low	57.8	Low	207 Å²	207	82.6 Å²	82.6	81%	0.812	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	97.9	-174.1	-123.7	-88.3	0	0	0	111.8	S615 Y622	S615-Y617 PolarHBondContact O-N 3.29Å; S615-Y617 VanDerWaalsContact O-N 3.17Å; S615-Y617 PolarHBondContact OG-N 3Å; Y617-Y622 VanDerWaalsContact O-CE2 3.26Å; Y617-Y622 WeakPolarHBondContact O-CE2 3.36Å
618	G	54.5	Low	60.2	Low	33 Å²	33	86.2 Å²	86.2	34%	0.34	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	16.3	180	0	0	0	0	0	115.5	D616 D620 R621 Y622	D616-G618 PolarHBondContact O-N 3.34Å; G618-D620 VanDerWaalsContact C-N 3.33Å; G618-D620 PolarHBondContact O-N 2.84Å; G618-D620 VanDerWaalsContact O-N 3.16Å; G618-R621 WeakPolarHBondContact O-CB 3.39Å; G618-R621 PolarHBondContact O-N 3.26Å; G618-Y622 WeakPolarHBondContact O-CD2 3.49Å; G618-Y622 PolarHBondContact O-N 2.79Å; G618-Y622 VanDerWaalsContact O-N 3.12Å
619	K	59.6	Low	62.8	Low	53 Å²	53	83.2 Å²	83.2	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-41.8	-52.4	-177.2	-120.2	-179.6	-176.1	167.8	0	114.3	D616 R621 Y622 K623	D616-K619 PolarHBondContact O-N 3.49Å; D616-K619 VanDerWaalsContact O-N 3.12Å; D616-K619 VanDerWaalsContact OD1-CD 3.3Å; D616-K619 WeakPolarHBondContact OD1-CD 3.45Å; D616-K619 WeakPolarHBondContact OD1-CE 3.09Å; D616-K619 IonicContact OD1-NZ 2.71Å; D616-K619 PolarHBondContact OD1-NZ 3.22Å; K619-R621 PolarHBondContact O-N 3.49Å; K619-Y622 PolarHBondContact O-N 3.09Å; K619-K623 VanDerWaalsContact O-CB 3.25Å; K619-K623 WeakPolarHBondContact O-CB 3.25Å; K619-K623 PolarHBondContact O-N 3.41Å
620	D	67.4	Low	65	Low	109 Å²	109	79 Å²	79	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-65.2	-36.4	-179.6	-65.2	-48.5	0	0	0	113.5	G618 K623 N624	G618-D620 VanDerWaalsContact C-N 3.33Å; G618-D620 PolarHBondContact O-N 2.84Å; G618-D620 VanDerWaalsContact O-N 3.16Å; D620-K623 PolarHBondContact O-N 3.27Å; D620-N624 WeakPolarHBondContact O-CB 3.42Å; D620-N624 PolarHBondContact O-N 3.24Å; D620-N624 PolarHBondContact O-ND2 2.96Å
621	R	70.5	Confident	67.2	Low	210 Å²	210	77.9 Å²	77.9	79%	0.792	37%	0.367	S	S	*	.	H	α-helix	trans	-64.4	-46.3	176.6	-70.2	-171.8	176.9	-168.1	-0.4	110.7	G618 K619 L625	G618-R621 WeakPolarHBondContact O-CB 3.39Å; G618-R621 PolarHBondContact O-N 3.26Å; K619-R621 PolarHBondContact O-N 3.49Å; R621-L625 VanDerWaalsContact O-CB 3.26Å; R621-L625 WeakPolarHBondContact O-CB 3.34Å; R621-L625 PolarHBondContact O-N 2.7Å; R621-L625 VanDerWaalsContact O-N 3.08Å
622	Y	73.7	Confident	69.7	Low	73 Å²	73	72.1 Å²	72.1	29%	0.286	35%	0.348	S	S	.	.	H	α-helix	trans	-67.1	-42.7	178.1	-58.5	-44.3	0	0	0	111.7	L597 L601 Y617 G618 K619 N624 L625 I626	L597-Y622 HydrophobicContact CD2-CD1 3.46Å; L597-Y622 VanDerWaalsContact CD2-CD1 3.46Å; L597-Y622 HydrophobicContact CD2-CE1 3.69Å; L597-Y622 HydrophobicContact CD2-CG 4.32Å; L601-Y622 HydrophobicContact CD2-CD2 4.42Å; Y617-Y622 VanDerWaalsContact O-CE2 3.26Å; Y617-Y622 WeakPolarHBondContact O-CE2 3.36Å; G618-Y622 WeakPolarHBondContact O-CD2 3.49Å; G618-Y622 PolarHBondContact O-N 2.79Å; G618-Y622 VanDerWaalsContact O-N 3.12Å; K619-Y622 PolarHBondContact O-N 3.09Å; Y622-N624 PolarHBondContact O-N 2.78Å; Y622-L625 PolarHBondContact O-N 3.09Å; Y622-I626 VanDerWaalsContact O-CB 3.29Å; Y622-I626 WeakPolarHBondContact O-CB 3.45Å; Y622-I626 WeakPolarHBondContact O-CD1 3.37Å; Y622-I626 WeakPolarHBondContact O-CG1 3.28Å; Y622-I626 PolarHBondContact O-N 3.04Å
623	K	77.5	Confident	72	Confident	55 Å²	55	69.4 Å²	69.4	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-46.9	177	-179.9	177	172.1	-178	0	112.4	K619 D620 S627 M643 E665 I669	K619-K623 VanDerWaalsContact O-CB 3.25Å; K619-K623 WeakPolarHBondContact O-CB 3.25Å; K619-K623 PolarHBondContact O-N 3.41Å; D620-K623 PolarHBondContact O-N 3.27Å; K623-S627 PolarHBondContact O-N 2.86Å; K623-M643 HydrophobicContact CG-CE 4.49Å; K623-E665 IonicContact NZ-OE1 3.61Å; K623-E665 PolarHBondContact NZ-OE1 3.47Å; K623-E665 IonicContact NZ-OE2 2.91Å; K623-I669 HydrophobicContact CB-CD1 4.2Å; K623-I669 HydrophobicContact CG-CD1 4.36Å
624	N	82.3	Confident	74.6	Confident	96 Å²	96	68.5 Å²	68.5	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-48.7	177.3	-68	-10.7	0	0	0	111.3	D620 Y622 I626 S627 E628	D620-N624 WeakPolarHBondContact O-CB 3.42Å; D620-N624 PolarHBondContact O-N 3.24Å; D620-N624 PolarHBondContact O-ND2 2.96Å; Y622-N624 PolarHBondContact O-N 2.78Å; N624-I626 VanDerWaalsContact C-N 3.33Å; N624-I626 PolarHBondContact O-N 3.5Å; N624-S627 WeakPolarHBondContact O-CA 3.38Å; N624-S627 WeakPolarHBondContact O-CB 3.25Å; N624-S627 PolarHBondContact O-N 3.18Å; N624-S627 VanDerWaalsContact O-N 3.07Å; N624-E628 PolarHBondContact O-N 3.19Å
625	L	85.8	Confident	76.6	Confident	54 Å²	54	77 Å²	77	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-36.9	-179.2	-172.7	61.6	0	0	0	112.9	Y593 R621 Y622 E628 L629	Y593-L625 HydrophobicContact CE1-CD2 3.75Å; Y593-L625 VanDerWaalsContact OH-CD2 3.27Å; Y593-L625 WeakPolarHBondContact OH-CD2 3.27Å; R621-L625 VanDerWaalsContact O-CB 3.26Å; R621-L625 WeakPolarHBondContact O-CB 3.34Å; R621-L625 PolarHBondContact O-N 2.7Å; R621-L625 VanDerWaalsContact O-N 3.08Å; Y622-L625 PolarHBondContact O-N 3.09Å; L625-E628 PolarHBondContact O-N 3.05Å; L625-L629 WeakPolarHBondContact O-CG 3.45Å; L625-L629 PolarHBondContact O-N 3.03Å
626	I	86.6	Confident	78.4	Confident	1 Å²	1	81.1 Å²	81.1	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-70.7	-34.1	174.7	-70.1	162.9	0	0	0	110.9	L597 L601 Y622 N624 L630 I669 C673 L676	L597-I626 HydrophobicContact CD1-CD1 4.41Å; L597-I626 HydrophobicContact CD1-CG1 4.11Å; L601-I626 HydrophobicContact CD1-CD1 4.3Å; Y622-I626 VanDerWaalsContact O-CB 3.29Å; Y622-I626 WeakPolarHBondContact O-CB 3.45Å; Y622-I626 WeakPolarHBondContact O-CD1 3.37Å; Y622-I626 WeakPolarHBondContact O-CG1 3.28Å; Y622-I626 PolarHBondContact O-N 3.04Å; N624-I626 VanDerWaalsContact C-N 3.33Å; N624-I626 PolarHBondContact O-N 3.5Å; I626-L630 HydrophobicContact CG2-CD1 4.36Å; I626-L630 WeakPolarHBondContact O-CB 3.35Å; I626-L630 WeakPolarHBondContact O-CG 3.26Å; I626-L630 PolarHBondContact O-N 3.28Å; I626-I669 HydrophobicContact CD1-CG2 3.5Å; I626-I669 VanDerWaalsContact CD1-CG2 3.5Å; I626-C673 WeakPolarHBondContact CD1-SG 3.39Å; I626-L676 HydrophobicContact CG2-CD1 4.28Å
627	S	87.3	Confident	80	Confident	25 Å²	25	77.1 Å²	77.1	18%	0.175	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-43.4	171.6	-159	0	0	0	0	111.9	K623 N624 L630 D631	K623-S627 PolarHBondContact O-N 2.86Å; N624-S627 WeakPolarHBondContact O-CA 3.38Å; N624-S627 WeakPolarHBondContact O-CB 3.25Å; N624-S627 PolarHBondContact O-N 3.18Å; N624-S627 VanDerWaalsContact O-N 3.07Å; S627-L630 PolarHBondContact O-N 3.22Å; S627-D631 PolarHBondContact O-N 3.07Å
628	E	89.4	Confident	81.9	Confident	130 Å²	130	72 Å²	72	61%	0.607	34%	0.341	S	S	*	.	H	α-helix	trans	-61.7	-43.7	176.3	-72	176.5	-174.4	0	0	112	N624 L625 D631 E632	N624-E628 PolarHBondContact O-N 3.19Å; L625-E628 PolarHBondContact O-N 3.05Å; E628-D631 PolarHBondContact O-N 3.21Å; E628-E632 PolarHBondContact O-N 3.02Å
629	L	91.2	Very high	83.1	Confident	21 Å²	21	73 Å²	73	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-37.9	175.2	-72.1	169	0	0	0	112.3	V594 L625 A633 L676	V594-L629 HydrophobicContact CG2-CD1 4.06Å; L625-L629 WeakPolarHBondContact O-CG 3.45Å; L625-L629 PolarHBondContact O-N 3.03Å; L629-A633 WeakPolarHBondContact O-CB 3.15Å; L629-A633 PolarHBondContact O-N 3.05Å; L629-L676 HydrophobicContact CB-CD1 3.79Å; L629-L676 HydrophobicContact CB-CD2 4.44Å
630	L	89.9	Confident	84.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-44.5	173	-85.7	172	0	0	0	111.8	I626 S627 E632 A633 R634 L640 P641 M643 L676	I626-L630 HydrophobicContact CG2-CD1 4.36Å; I626-L630 WeakPolarHBondContact O-CB 3.35Å; I626-L630 WeakPolarHBondContact O-CG 3.26Å; I626-L630 PolarHBondContact O-N 3.28Å; S627-L630 PolarHBondContact O-N 3.22Å; L630-E632 VanDerWaalsContact C-N 3.3Å; L630-E632 PolarHBondContact O-N 2.99Å; L630-A633 PolarHBondContact O-N 3.5Å; L630-A633 VanDerWaalsContact O-N 3.16Å; L630-R634 VanDerWaalsContact O-CB 3.29Å; L630-R634 WeakPolarHBondContact O-CB 3.4Å; L630-R634 WeakPolarHBondContact O-CG 3.44Å; L630-R634 PolarHBondContact O-N 3.41Å; L630-L640 HydrophobicContact CD2-CB 4.23Å; L630-P641 WeakPolarHBondContact CD1-O 3.43Å; L630-P641 HydrophobicContact CD2-CG 4.22Å; L630-P641 WeakPolarHBondContact CD2-O 3.5Å; L630-M643 HydrophobicContact CD1-CG 3.89Å; L630-M643 HydrophobicContact CD1-SD 4.24Å; L630-L676 HydrophobicContact CD2-CD1 4.38Å; L630-L676 HydrophobicContact CD2-CD2 3.84Å; L630-L676 HydrophobicContact CD2-CG 3.78Å; L630-L676 HydrophobicContact CG-CD1 4.05Å; L630-L676 HydrophobicContact CG-CD2 4.19Å; L630-L676 HydrophobicContact CG-CG 4.02Å
631	D	89.6	Confident	85	Confident	53 Å²	53	65.7 Å²	65.7	28%	0.283	31%	0.307	S	S	.	.	H	α-helix	trans	-77.3	-13.9	179.7	-68.8	-38.7	0	0	0	112.9	S627 E628 R634 R635	S627-D631 PolarHBondContact O-N 3.07Å; E628-D631 PolarHBondContact O-N 3.21Å; D631-R634 IonicContact OD1-NH1 3.53Å; D631-R634 PolarHBondContact OD1-NH1 2.95Å; D631-R635 PolarHBondContact O-NE 3.15Å; D631-R635 PolarHBondContact O-NH2 3.26Å
632	E	89.3	Confident	85.6	Confident	71 Å²	71	56.6 Å²	56.6	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-70.6	-52.6	157.5	-169.6	-175.7	-157.2	0	0	111.2	R590 E628 L630 R634 R635	R590-E632 IonicContact CZ-OE1 3.99Å; R590-E632 IonicContact CZ-OE2 2.82Å; R590-E632 IonicContact NE-OE1 3.35Å; R590-E632 IonicContact NE-OE2 3.27Å; R590-E632 PolarHBondContact NE-OE2 3.46Å; R590-E632 VanDerWaalsContact NH2-CD 3.32Å; R590-E632 IonicContact NH2-OE1 2.74Å; R590-E632 PolarHBondContact NH2-OE1 3.43Å; R590-E632 IonicContact NH2-OE2 2.84Å; R590-E632 PolarHBondContact NH2-OE2 2.94Å; E628-E632 PolarHBondContact O-N 3.02Å; L630-E632 VanDerWaalsContact C-N 3.3Å; L630-E632 PolarHBondContact O-N 2.99Å; E632-R634 PolarHBondContact O-N 3.21Å; E632-R635 WeakPolarHBondContact O-CB 3.46Å; E632-R635 PolarHBondContact O-N 2.61Å
633	A	90.5	Very high	85.9	Confident	2 Å²	2	54.4 Å²	54.4	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-38.2	-177.2	0	0	0	0	0	113.2	L629 L630 R635 K636 D637 L640 L676 F679	L629-A633 WeakPolarHBondContact O-CB 3.15Å; L629-A633 PolarHBondContact O-N 3.05Å; L630-A633 PolarHBondContact O-N 3.5Å; L630-A633 VanDerWaalsContact O-N 3.16Å; A633-R635 PolarHBondContact O-N 3.2Å; A633-K636 WeakPolarHBondContact O-CA 3.3Å; A633-K636 WeakPolarHBondContact O-CB 3.04Å; A633-K636 PolarHBondContact O-N 2.77Å; A633-D637 PolarHBondContact O-N 3.19Å; A633-L640 HydrophobicContact CB-CD1 3.5Å; A633-L676 HydrophobicContact CB-CD2 3.8Å; A633-F679 HydrophobicContact CB-CD1 3.69Å; A633-F679 HydrophobicContact CB-CE1 3.54Å; A633-F679 HydrophobicContact CB-CG 4.3Å; A633-F679 HydrophobicContact CB-CZ 4.04Å
634	R	90	Very high	85.9	Confident	81 Å²	81	57.4 Å²	57.4	31%	0.306	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.7	-179.7	-72.4	169.1	86.7	-123.3	-6.6	114.3	L630 D631 E632 K636 D637 L640 P641	L630-R634 VanDerWaalsContact O-CB 3.29Å; L630-R634 WeakPolarHBondContact O-CB 3.4Å; L630-R634 WeakPolarHBondContact O-CG 3.44Å; L630-R634 PolarHBondContact O-N 3.41Å; D631-R634 IonicContact OD1-NH1 3.53Å; D631-R634 PolarHBondContact OD1-NH1 2.95Å; E632-R634 PolarHBondContact O-N 3.21Å; R634-K636 PolarHBondContact O-N 2.94Å; R634-D637 WeakPolarHBondContact CA-O 3.26Å; R634-L640 WeakPolarHBondContact CD-O 3.48Å; R634-L640 HydrophobicContact CG-CB 3.73Å; R634-L640 PolarHBondContact NE-O 3.36Å; R634-P641 WeakPolarHBondContact CD-O 3.28Å
635	R	89.2	Confident	85.5	Confident	198 Å²	198	57.6 Å²	57.6	75%	0.747	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.4	167.3	-76	173.5	-97.6	166.1	-7.5	113	D631 E632 A633	D631-R635 PolarHBondContact O-NE 3.15Å; D631-R635 PolarHBondContact O-NH2 3.26Å; E632-R635 WeakPolarHBondContact O-CB 3.46Å; E632-R635 PolarHBondContact O-N 2.61Å; A633-R635 PolarHBondContact O-N 3.2Å
636	K	85.5	Confident	84.9	Confident	122 Å²	122	57.5 Å²	57.5	53%	0.53	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-41.5	174.3	-70.4	179.2	160.3	-165.1	0	113.1	F587 A633 R634 F679	F587-K636 VanDerWaalsContact CZ-NZ 3.28Å; A633-K636 WeakPolarHBondContact O-CA 3.3Å; A633-K636 WeakPolarHBondContact O-CB 3.04Å; A633-K636 PolarHBondContact O-N 2.77Å; R634-K636 PolarHBondContact O-N 2.94Å; K636-F679 HydrophobicContact CB-CE2 4.21Å; K636-F679 HydrophobicContact CB-CZ 3.98Å; K636-F679 HydrophobicContact CD-CZ 3.95Å
637	D	83.7	Confident	84.2	Confident	26 Å²	26	67.9 Å²	67.9	14%	0.139	33%	0.329	C	S	.	.			trans	-127.2	86.3	-179.9	-173.4	-10.8	0	0	0	109.7	A633 R634 S639 L640 F679 R682	A633-D637 PolarHBondContact O-N 3.19Å; R634-D637 WeakPolarHBondContact CA-O 3.26Å; D637-S639 PolarHBondContact O-N 3.47Å; D637-S639 WeakPolarHBondContact OD1-CB 3.4Å; D637-S639 PolarHBondContact OD1-N 3.05Å; D637-S639 PolarHBondContact OD1-OG 2.93Å; D637-L640 HydrophobicContact CB-CD1 4.04Å; D637-L640 HydrophobicContact CB-CG 4.21Å; D637-L640 PolarHBondContact O-N 3.36Å; D637-F679 HydrophobicContact CB-CD2 3.87Å; D637-F679 HydrophobicContact CB-CE2 3.68Å; D637-R682 IonicContact OD2-CZ 3.38Å; D637-R682 VanDerWaalsContact OD2-CZ 3.31Å; D637-R682 IonicContact OD2-NH1 3.96Å; D637-R682 PolarHBondContact OD2-NH1 3.07Å; D637-R682 IonicContact OD2-NH2 3.26Å; D637-R682 PolarHBondContact OD2-NH2 3.38Å
638	P	85.5	Confident	83.5	Confident	100 Å²	100	73.2 Å²	73.2	65%	0.649	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.1	-176.3	-24.5	34.9	0	0	0	115.1	L640	P638-L640 VanDerWaalsContact C-N 3.29Å; P638-L640 PolarHBondContact O-N 2.86Å
639	S	79.8	Confident	82.8	Confident	54 Å²	54	68.5 Å²	68.5	38%	0.378	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.6	-179.6	77.8	0	0	0	0	113.9	D637	D637-S639 PolarHBondContact O-N 3.47Å; D637-S639 WeakPolarHBondContact OD1-CB 3.4Å; D637-S639 PolarHBondContact OD1-N 3.05Å; D637-S639 PolarHBondContact OD1-OG 2.93Å
640	L	85	Confident	82.4	Confident	6 Å²	6	71.2 Å²	71.2	3%	0.031	36%	0.359	C	S	.	.	S	Bend	trans	-64.7	146.7	177.8	-67.4	169.9	0	0	0	112	L630 A633 R634 D637 P638 Q675 F679	L630-L640 HydrophobicContact CD2-CB 4.23Å; A633-L640 HydrophobicContact CB-CD1 3.5Å; R634-L640 WeakPolarHBondContact CD-O 3.48Å; R634-L640 HydrophobicContact CG-CB 3.73Å; R634-L640 PolarHBondContact NE-O 3.36Å; D637-L640 HydrophobicContact CB-CD1 4.04Å; D637-L640 HydrophobicContact CB-CG 4.21Å; D637-L640 PolarHBondContact O-N 3.36Å; P638-L640 VanDerWaalsContact C-N 3.29Å; P638-L640 PolarHBondContact O-N 2.86Å; L640-Q675 HydrophobicContact CD2-CB 3.94Å; L640-F679 HydrophobicContact CD1-CB 4.09Å; L640-F679 HydrophobicContact CD1-CD1 4.46Å; L640-F679 HydrophobicContact CD1-CD2 3.85Å; L640-F679 HydrophobicContact CD1-CE2 4.42Å; L640-F679 HydrophobicContact CD1-CG 3.87Å; L640-F679 HydrophobicContact CD2-CB 4.26Å
641	P	83.3	Confident	82.1	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.013	38%	0.375	C	S	.	.			trans	-60.4	157.3	-177.6	26.9	-36.9	0	0	0	112.5	L630 R634 Y671 Q675	L630-P641 WeakPolarHBondContact CD1-O 3.43Å; L630-P641 HydrophobicContact CD2-CG 4.22Å; L630-P641 WeakPolarHBondContact CD2-O 3.5Å; R634-P641 WeakPolarHBondContact CD-O 3.28Å; P641-Y671 HydrophobicContact CB-CE1 3.99Å; P641-Y671 HydrophobicContact CG-CD1 4.35Å; P641-Y671 HydrophobicContact CG-CE1 3.83Å; P641-Q675 HydrophobicContact CG-CB 4.12Å; P641-Q675 HydrophobicContact CG-CG 3.97Å
642	S	82.7	Confident	81.9	Confident	19 Å²	19	75 Å²	75	13%	0.133	37%	0.371	C	S	.	.			trans	-110.1	143.3	170.3	-171	0	0	0	0	110.2	I644 Y662	S642-I644 PolarHBondContact O-N 3.21Å; S642-I644 PolarHBondContact OG-N 3.26Å; S642-Y662 WeakPolarHBondContact O-CE1 3.17Å; S642-Y662 PolarHBondContact O-OH 2.81Å
643	M	79.4	Confident	81.7	Confident	27 Å²	27	74.2 Å²	74.2	13%	0.133	37%	0.371	C	S	.	.	S	Bend	trans	-74.4	-11.8	169.6	-65.8	-54.4	-55.2	0	0	112.7	K623 L630 K645 I669 S672	K623-M643 HydrophobicContact CG-CE 4.49Å; L630-M643 HydrophobicContact CD1-CG 3.89Å; L630-M643 HydrophobicContact CD1-SD 4.24Å; M643-K645 PolarHBondContact O-N 3.43Å; M643-I669 HydrophobicContact CE-CD1 4.49Å; M643-I669 HydrophobicContact CE-CG1 3.55Å; M643-S672 PolarHBondContact SD-OG 2.97Å; M643-S672 VanDerWaalsContact SD-OG 3.35Å
644	I	77.6	Confident	81.5	Confident	117 Å²	117	75.2 Å²	75.2	60%	0.6	38%	0.376	S	S	*	.	S	Bend	trans	-80.7	106.9	177.7	-55.9	175.9	0	0	0	108.8	S642 P646	S642-I644 PolarHBondContact O-N 3.21Å; S642-I644 PolarHBondContact OG-N 3.26Å; I644-P646 WeakPolarHBondContact O-CD 3.46Å
645	K	74.1	Confident	81.1	Confident	101 Å²	101	77.9 Å²	77.9	44%	0.439	39%	0.39	S	S	.	.			trans	-52.6	122.9	175.8	-178.8	-177.1	173.8	178.7	0	111.2	M643 D650 Y662	M643-K645 PolarHBondContact O-N 3.43Å; K645-D650 WeakPolarHBondContact CE-OD1 3.4Å; K645-D650 IonicContact NZ-OD1 2.82Å; K645-D650 PolarHBondContact NZ-OD1 3.02Å; K645-Y662 HydrophobicContact CB-CD1 4.11Å; K645-Y662 HydrophobicContact CB-CD2 4.46Å; K645-Y662 HydrophobicContact CB-CG 4.11Å; K645-Y662 HydrophobicContact CG-CD2 4.08Å; K645-Y662 HydrophobicContact CG-CG 4.04Å
646	P	73.4	Confident	81	Confident	51 Å²	51	70 Å²	70	33%	0.331	36%	0.361	S	S	.	.			trans	-62.2	142.3	173	-21.8	33.3	0	0	0	111.7	I644 T648 A649 Y662	I644-P646 WeakPolarHBondContact O-CD 3.46Å; P646-T648 PolarHBondContact O-N 3.42Å; P646-A649 HydrophobicContact CB-CB 4.45Å; P646-A649 PolarHBondContact O-N 3.14Å; P646-Y662 VanDerWaalsContact CD-CE2 3.44Å; P646-Y662 HydrophobicContact CG-CE2 4.37Å
647	K	72	Confident	81.2	Confident	220 Å²	220	64.5 Å²	64.5	96%	0.957	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.9	175.4	-69.8	-171.3	178.1	-176.8	0	113.9
648	T	72.9	Confident	81.5	Confident	137 Å²	137	64.5 Å²	64.5	84%	0.84	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-3	-171.8	48.3	0	0	0	0	114.2	P646	P646-T648 PolarHBondContact O-N 3.42Å
649	A	74.2	Confident	81.6	Confident	30 Å²	30	62.3 Å²	62.3	25%	0.248	32%	0.318	C	S	.	.			trans	-150.4	134.3	-176	0	0	0	0	0	113.4	P646 Y651	P646-A649 HydrophobicContact CB-CB 4.45Å; P646-A649 PolarHBondContact O-N 3.14Å; A649-Y651 VanDerWaalsContact C-N 3.26Å; A649-Y651 PolarHBondContact O-N 2.92Å
650	D	82.5	Confident	81.9	Confident	79 Å²	79	61.7 Å²	61.7	42%	0.422	31%	0.309	S	S	.	.	S	Bend	trans	-84.5	3.9	174.9	-69.1	-44.8	0	0	0	113.9	K645 S661 Y662	K645-D650 WeakPolarHBondContact CE-OD1 3.4Å; K645-D650 IonicContact NZ-OD1 2.82Å; K645-D650 PolarHBondContact NZ-OD1 3.02Å; D650-S661 WeakPolarHBondContact O-CA 3.49Å; D650-S661 PolarHBondContact O-OG 3.14Å; D650-S661 VanDerWaalsContact O-OG 3.09Å; D650-Y662 PolarHBondContact O-N 3.22Å
651	Y	84	Confident	81.7	Confident	87 Å²	87	63.3 Å²	63.3	34%	0.341	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.4	-178.7	48.3	-97.4	0	0	0	112.1	A649 V653 K659 H660 Y662	A649-Y651 VanDerWaalsContact C-N 3.26Å; A649-Y651 PolarHBondContact O-N 2.92Å; Y651-V653 HydrophobicContact CD2-CG2 3.68Å; Y651-V653 HydrophobicContact CE2-CG2 3.79Å; Y651-K659 HydrophobicContact CD1-CD 4.08Å; Y651-K659 HydrophobicContact CD2-CB 4.08Å; Y651-K659 HydrophobicContact CD2-CD 3.89Å; Y651-K659 HydrophobicContact CD2-CG 3.75Å; Y651-K659 HydrophobicContact CE1-CD 3.93Å; Y651-K659 HydrophobicContact CE2-CD 3.75Å; Y651-K659 HydrophobicContact CE2-CG 3.94Å; Y651-K659 HydrophobicContact CG-CB 4.06Å; Y651-K659 HydrophobicContact CG-CD 4.05Å; Y651-K659 HydrophobicContact CG-CG 4.13Å; Y651-K659 PolarHBondContact OH-NZ 3.25Å; Y651-H660 CarbonylContact C-O 3.6Å; Y651-H660 VanDerWaalsContact CA-O 3.27Å; Y651-H660 WeakPolarHBondContact CA-O 3.4Å; Y651-H660 WeakPolarHBondContact CB-O 3.42Å; Y651-Y662 VanDerWaalsContact C-CE2 3.49Å
652	H	84.4	Confident	81.6	Confident	44 Å²	44	64.5 Å²	64.5	20%	0.204	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	150.4	159.6	175.8	72.1	0	0	0	108.9	K659 H660 Y662 I668 Y671	H652-K659 CarbonylContact O-C 3.6Å; H652-K659 WeakPolarHBondContact O-CA 3.42Å; H652-H660 HydrophobicContact CB-CB 4.43Å; H652-H660 PolarHBondContact N-O 3.02Å; H652-H660 PolarHBondContact O-N 3.4Å; H652-Y662 HydrophobicContact CB-CE2 4.19Å; H652-I668 HydrophobicContact CB-CD1 3.95Å; H652-Y671 AromaticContact CD2-CE1 3.33Å; H652-Y671 WeakPolarHBondContact CD2-CE1 3.33Å; H652-Y671 AromaticContact CD2-CZ 3.82Å; H652-Y671 AromaticContact NE2-CE1 3.39Å; H652-Y671 WeakPolarHBondContact NE2-CE1 3.34Å; H652-Y671 AromaticContact NE2-CZ 3.27Å; H652-Y671 VanDerWaalsContact NE2-CZ 3.27Å; H652-Y671 PolarHBondContact NE2-OH 3.26Å
653	V	86.3	Confident	81.4	Confident	55 Å²	55	70 Å²	70	33%	0.333	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.2	175	-175.4	0	0	0	0	108.1	Y651 F658 K659 V779	Y651-V653 HydrophobicContact CD2-CG2 3.68Å; Y651-V653 HydrophobicContact CE2-CG2 3.79Å; V653-F658 WeakPolarHBondContact CA-O 3.13Å; V653-K659 HydrophobicContact CG2-CG 4.49Å; V653-V779 HydrophobicContact CG1-CG1 3.94Å; V653-V779 HydrophobicContact CG1-CG2 4.41Å; V653-V779 HydrophobicContact CG2-CG1 4.13Å
654	D	85.5	Confident	81.2	Confident	23 Å²	23	72.5 Å²	72.5	12%	0.123	37%	0.366	C	S	.	.			trans	-82.8	176.3	178.2	71.2	26.4	0	0	0	113.6	Y656 G657 F658 H660 Y671	D654-Y656 PolarHBondContact O-N 2.88Å; D654-Y656 VanDerWaalsContact O-N 3.15Å; D654-Y656 WeakPolarHBondContact OD1-CA 3.35Å; D654-Y656 PolarHBondContact OD1-N 2.88Å; D654-G657 PolarHBondContact O-N 3.34Å; D654-G657 PolarHBondContact OD1-N 3.27Å; D654-F658 PolarHBondContact N-O 3.34Å; D654-F658 PolarHBondContact OD1-N 3.48Å; D654-H660 IonicContact OD2-CD2 3.86Å; D654-H660 IonicContact OD2-CE1 3.71Å; D654-H660 IonicContact OD2-NE2 3.45Å; D654-H660 PolarHBondContact OD2-NE2 3.4Å; D654-Y671 HydrophobicContact CB-CE2 4.08Å; D654-Y671 WeakPolarHBondContact CB-OH 3.43Å
655	F	82.5	Confident	81.1	Confident	137 Å²	137	70.4 Å²	70.4	60%	0.601	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.2	-178.2	-70	-79.1	0	0	0	114.8
656	Y	87.5	Confident	81	Confident	32 Å²	32	66.2 Å²	66.2	13%	0.125	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.2	175.1	-50.4	-68.6	0	0	0	112.4	D654 I720 N778 F822 F899 E900 I903	D654-Y656 PolarHBondContact O-N 2.88Å; D654-Y656 VanDerWaalsContact O-N 3.15Å; D654-Y656 WeakPolarHBondContact OD1-CA 3.35Å; D654-Y656 PolarHBondContact OD1-N 2.88Å; Y656-I720 HydrophobicContact CD1-CD1 4.14Å; Y656-I720 HydrophobicContact CE1-CD1 3.47Å; Y656-I720 VanDerWaalsContact CE1-CD1 3.47Å; Y656-I720 HydrophobicContact CE1-CG1 4.33Å; Y656-N778 PolarHBondContact O-ND2 3.44Å; Y656-F822 AromaticContact CD1-CE1 3.8Å; Y656-F822 HydrophobicContact CD1-CE1 3.8Å; Y656-F822 AromaticContact CD1-CZ 3.6Å; Y656-F822 HydrophobicContact CD1-CZ 3.6Å; Y656-F822 AromaticContact CE1-CE1 3.73Å; Y656-F822 HydrophobicContact CE1-CE1 3.73Å; Y656-F822 AromaticContact CE1-CZ 3.63Å; Y656-F822 HydrophobicContact CE1-CZ 3.63Å; Y656-F899 HydrophobicContact CD1-CD1 4.46Å; Y656-F899 AromaticContact CD1-CE1 3.8Å; Y656-F899 HydrophobicContact CD1-CE1 3.8Å; Y656-F899 AromaticContact CD2-CD1 3.61Å; Y656-F899 HydrophobicContact CD2-CD1 3.61Å; Y656-F899 AromaticContact CD2-CE1 3.77Å; Y656-F899 HydrophobicContact CD2-CE1 3.77Å; Y656-F899 HydrophobicContact CE1-CE1 4.28Å; Y656-F899 AromaticContact CE2-CD1 3.99Å; Y656-F899 HydrophobicContact CE2-CD1 3.99Å; Y656-F899 HydrophobicContact CE2-CE1 4.24Å; Y656-F899 AromaticContact CG-CD1 3.86Å; Y656-F899 HydrophobicContact CG-CD1 3.86Å; Y656-F899 AromaticContact CG-CE1 3.51Å; Y656-F899 HydrophobicContact CG-CE1 3.51Å; Y656-E900 WeakPolarHBondContact CE2-OE1 3.28Å; Y656-E900 WeakPolarHBondContact CE2-OE2 3.34Å; Y656-E900 PolarHBondContact OH-OE2 2.6Å; Y656-I903 HydrophobicContact CE1-CD1 3.89Å; Y656-I903 HydrophobicContact CE2-CD1 4.23Å; Y656-I903 VanDerWaalsContact CZ-CD1 3.5Å; Y656-I903 WeakPolarHBondContact OH-CD1 3.27Å
657	G	88.2	Confident	80.9	Confident	7 Å²	7	66 Å²	66	7%	0.072	34%	0.337	C	S	.	.			trans	93.8	7.1	177.8	0	0	0	0	0	115.3	D654 N778 V779	D654-G657 PolarHBondContact O-N 3.34Å; D654-G657 PolarHBondContact OD1-N 3.27Å; G657-N778 CarbonylContact O-C 3.56Å; G657-N778 WeakPolarHBondContact O-CA 3.41Å; G657-V779 PolarHBondContact O-N 3.3Å
658	F	89.9	Confident	81.3	Confident	27 Å²	27	55.7 Å²	55.7	12%	0.118	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-78.5	139	178.6	-62.5	-83.5	0	0	0	112.3	V653 D654 H660 M775 N777 N778 L821 F899	V653-F658 WeakPolarHBondContact CA-O 3.13Å; D654-F658 PolarHBondContact N-O 3.34Å; D654-F658 PolarHBondContact OD1-N 3.48Å; F658-H660 PolarHBondContact O-CD2 3.29Å; F658-M775 HydrophobicContact CE1-CB 4.5Å; F658-M775 HydrophobicContact CE1-CG 4.46Å; F658-M775 HydrophobicContact CE1-SD 4.35Å; F658-M775 HydrophobicContact CZ-SD 4.13Å; F658-N777 CarbonylContact C-O 3.34Å; F658-N777 WeakPolarHBondContact CA-O 2.85Å; F658-N778 HydrophobicContact CD1-CB 3.73Å; F658-N778 HydrophobicContact CE1-CB 3.74Å; F658-N778 HydrophobicContact CG-CB 4.43Å; F658-N778 HydrophobicContact CZ-CB 4.43Å; F658-N778 WeakPolarHBondContact CZ-ND2 3.16Å; F658-L821 HydrophobicContact CE2-CD1 4.18Å; F658-L821 HydrophobicContact CZ-CD1 4.05Å; F658-F899 HydrophobicContact CD2-CG 4.42Å; F658-F899 HydrophobicContact CE2-CB 4.48Å; F658-F899 AromaticContact CE2-CD1 3.86Å; F658-F899 HydrophobicContact CE2-CD1 3.86Å; F658-F899 AromaticContact CE2-CD2 3.55Å; F658-F899 HydrophobicContact CE2-CD2 3.55Å; F658-F899 AromaticContact CE2-CE1 3.93Å; F658-F899 HydrophobicContact CE2-CE1 3.93Å; F658-F899 AromaticContact CE2-CE2 3.63Å; F658-F899 HydrophobicContact CE2-CE2 3.63Å; F658-F899 AromaticContact CE2-CG 3.68Å; F658-F899 HydrophobicContact CE2-CG 3.68Å; F658-F899 AromaticContact CE2-CZ 3.83Å; F658-F899 HydrophobicContact CE2-CZ 3.83Å; F658-F899 AromaticContact CZ-CD2 3.63Å; F658-F899 HydrophobicContact CZ-CD2 3.63Å; F658-F899 AromaticContact CZ-CE2 3.63Å; F658-F899 HydrophobicContact CZ-CE2 3.63Å; F658-F899 HydrophobicContact CZ-CG 4.22Å; F658-F899 HydrophobicContact CZ-CZ 4.22Å
659	K	88.4	Confident	81.7	Confident	54 Å²	54	49.3 Å²	49.3	24%	0.235	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110.9	-179.2	-62.9	-176	-178.4	-174.3	0	111.3	Y651 H652 V653 N777 V779 D782	Y651-K659 HydrophobicContact CD1-CD 4.08Å; Y651-K659 HydrophobicContact CD2-CB 4.08Å; Y651-K659 HydrophobicContact CD2-CD 3.89Å; Y651-K659 HydrophobicContact CD2-CG 3.75Å; Y651-K659 HydrophobicContact CE1-CD 3.93Å; Y651-K659 HydrophobicContact CE2-CD 3.75Å; Y651-K659 HydrophobicContact CE2-CG 3.94Å; Y651-K659 HydrophobicContact CG-CB 4.06Å; Y651-K659 HydrophobicContact CG-CD 4.05Å; Y651-K659 HydrophobicContact CG-CG 4.13Å; Y651-K659 PolarHBondContact OH-NZ 3.25Å; H652-K659 CarbonylContact O-C 3.6Å; H652-K659 WeakPolarHBondContact O-CA 3.42Å; V653-K659 HydrophobicContact CG2-CG 4.49Å; K659-N777 WeakPolarHBondContact CB-O 3.43Å; K659-N777 PolarHBondContact N-O 2.95Å; K659-V779 HydrophobicContact CG-CG1 4.18Å; K659-D782 WeakPolarHBondContact CE-OD2 3.35Å; K659-D782 IonicContact NZ-OD2 3.68Å; K659-D782 PolarHBondContact NZ-OD2 2.99Å
660	H	85.6	Confident	81.9	Confident	41 Å²	41	49.3 Å²	49.3	19%	0.19	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	102.9	172	-60.2	-81	0	0	0	108.5	Y651 H652 D654 F658 I668 Y671	Y651-H660 CarbonylContact C-O 3.6Å; Y651-H660 VanDerWaalsContact CA-O 3.27Å; Y651-H660 WeakPolarHBondContact CA-O 3.4Å; Y651-H660 WeakPolarHBondContact CB-O 3.42Å; H652-H660 HydrophobicContact CB-CB 4.43Å; H652-H660 PolarHBondContact N-O 3.02Å; H652-H660 PolarHBondContact O-N 3.4Å; D654-H660 IonicContact OD2-CD2 3.86Å; D654-H660 IonicContact OD2-CE1 3.71Å; D654-H660 IonicContact OD2-NE2 3.45Å; D654-H660 PolarHBondContact OD2-NE2 3.4Å; F658-H660 PolarHBondContact O-CD2 3.29Å; H660-I668 HydrophobicContact CB-CD1 4.34Å; H660-Y671 HydrophobicContact CB-CD1 4.47Å; H660-Y671 AromaticContact CD2-CE2 3.99Å; H660-Y671 AromaticContact CE1-CD2 3.54Å; H660-Y671 AromaticContact CE1-CE2 3.97Å; H660-Y671 AromaticContact CE1-CG 3.99Å; H660-Y671 AromaticContact CG-CG 3.96Å; H660-Y671 AromaticContact ND1-CD2 3.86Å; H660-Y671 AromaticContact ND1-CG 3.83Å; H660-Y671 AromaticContact NE2-CD2 3.67Å; H660-Y671 AromaticContact NE2-CE2 3.62Å
661	S	82.3	Confident	81.8	Confident	40 Å²	40	46.5 Å²	46.5	28%	0.28	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.3	-173.4	-175.9	0	0	0	0	113.2	D650 L663 N664	D650-S661 WeakPolarHBondContact O-CA 3.49Å; D650-S661 PolarHBondContact O-OG 3.14Å; D650-S661 VanDerWaalsContact O-OG 3.09Å; S661-L663 PolarHBondContact O-N 3.02Å; S661-L663 WeakPolarHBondContact OG-CB 3.49Å; S661-L663 PolarHBondContact OG-N 2.89Å; S661-L663 VanDerWaalsContact OG-N 3.15Å; S661-N664 PolarHBondContact O-N 3.41Å
662	Y	80.6	Confident	82	Confident	26 Å²	26	42.3 Å²	42.3	10%	0.102	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	170.6	-67.6	-83.9	0	0	0	112.8	S642 K645 P646 D650 Y651 H652 N664 I668	S642-Y662 WeakPolarHBondContact O-CE1 3.17Å; S642-Y662 PolarHBondContact O-OH 2.81Å; K645-Y662 HydrophobicContact CB-CD1 4.11Å; K645-Y662 HydrophobicContact CB-CD2 4.46Å; K645-Y662 HydrophobicContact CB-CG 4.11Å; K645-Y662 HydrophobicContact CG-CD2 4.08Å; K645-Y662 HydrophobicContact CG-CG 4.04Å; P646-Y662 VanDerWaalsContact CD-CE2 3.44Å; P646-Y662 HydrophobicContact CG-CE2 4.37Å; D650-Y662 PolarHBondContact O-N 3.22Å; Y651-Y662 VanDerWaalsContact C-CE2 3.49Å; H652-Y662 HydrophobicContact CB-CE2 4.19Å; Y662-N664 VanDerWaalsContact C-N 3.29Å; Y662-I668 HydrophobicContact CD1-CD1 3.62Å; Y662-I668 HydrophobicContact CD2-CD1 4.28Å; Y662-I668 HydrophobicContact CE1-CD1 3.49Å; Y662-I668 VanDerWaalsContact CE1-CD1 3.49Å; Y662-I668 HydrophobicContact CE2-CD1 4.16Å; Y662-I668 HydrophobicContact CG-CD1 4.01Å
663	L	78.2	Confident	82.1	Confident	134 Å²	134	40.2 Å²	40.2	70%	0.702	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.8	175.3	-59.9	174.3	0	0	0	112.5	S661	S661-L663 PolarHBondContact O-N 3.02Å; S661-L663 WeakPolarHBondContact OG-CB 3.49Å; S661-L663 PolarHBondContact OG-N 2.89Å; S661-L663 VanDerWaalsContact OG-N 3.15Å
664	N	76.1	Confident	81.9	Confident	80 Å²	80	38.8 Å²	38.8	43%	0.428	20%	0.195	S	C	.	.	S	Bend	trans	-107	76.8	172.9	-177.9	-2.8	0	0	0	108.8	S661 Y662 T666 S667 I668	S661-N664 PolarHBondContact O-N 3.41Å; Y662-N664 VanDerWaalsContact C-N 3.29Å; N664-T666 VanDerWaalsContact C-N 3.25Å; N664-T666 PolarHBondContact O-N 2.93Å; N664-T666 VanDerWaalsContact O-N 3.14Å; N664-S667 WeakPolarHBondContact ND2-CB 3.33Å; N664-S667 PolarHBondContact ND2-OG 2.86Å; N664-S667 PolarHBondContact O-N 3.31Å; N664-S667 PolarHBondContact OD1-N 3.42Å; N664-I668 PolarHBondContact O-N 3.02Å
665	E	73.9	Confident	81.9	Confident	74 Å²	74	38.8 Å²	38.8	35%	0.346	19%	0.194	S	C	.	.	H	α-helix	trans	-48.4	-45.8	-172.9	-63.8	-156.6	132.5	0	0	112.8	K623 S667 I668 I669	K623-E665 IonicContact NZ-OE1 3.61Å; K623-E665 PolarHBondContact NZ-OE1 3.47Å; K623-E665 IonicContact NZ-OE2 2.91Å; E665-S667 PolarHBondContact O-N 3.39Å; E665-I668 WeakPolarHBondContact O-CG2 3.35Å; E665-I668 PolarHBondContact O-N 3.06Å; E665-I669 HydrophobicContact CB-CD1 4.32Å; E665-I669 WeakPolarHBondContact O-CB 3.4Å; E665-I669 WeakPolarHBondContact O-CD1 3.49Å; E665-I669 WeakPolarHBondContact O-CG1 3.42Å; E665-I669 PolarHBondContact O-N 3.33Å
666	T	72	Confident	82.2	Confident	12 Å²	12	32.3 Å²	32.3	7%	0.074	17%	0.165	C	C	.	.	H	α-helix	trans	-72.4	-25.4	-176.3	13.3	0	0	0	0	114.3	L601 F614 N664 H670	L601-T666 HydrophobicContact CD2-CG2 4.16Å; F614-T666 HydrophobicContact CB-CG2 3.52Å; F614-T666 HydrophobicContact CD1-CG2 3.7Å; F614-T666 HydrophobicContact CD2-CG2 4.31Å; F614-T666 HydrophobicContact CE1-CG2 4.48Å; F614-T666 HydrophobicContact CG-CG2 3.62Å; N664-T666 VanDerWaalsContact C-N 3.25Å; N664-T666 PolarHBondContact O-N 2.93Å; N664-T666 VanDerWaalsContact O-N 3.14Å; T666-H670 VanDerWaalsContact O-CB 3.25Å; T666-H670 WeakPolarHBondContact O-CB 3.49Å; T666-H670 PolarHBondContact O-N 3.24Å
667	S	72.8	Confident	82.2	Confident	48 Å²	48	32.7 Å²	32.7	34%	0.336	17%	0.167	S	C	.	.	H	α-helix	trans	-70.3	-43	168.2	-74.6	0	0	0	0	112.1	N664 E665 H670 Y671	N664-S667 WeakPolarHBondContact ND2-CB 3.33Å; N664-S667 PolarHBondContact ND2-OG 2.86Å; N664-S667 PolarHBondContact O-N 3.31Å; N664-S667 PolarHBondContact OD1-N 3.42Å; E665-S667 PolarHBondContact O-N 3.39Å; S667-H670 PolarHBondContact O-N 3.11Å; S667-Y671 WeakPolarHBondContact O-CB 3.3Å; S667-Y671 PolarHBondContact O-N 2.68Å
668	I	80	Confident	81.8	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-73.3	-31.9	178.1	-170.8	154.5	0	0	0	112.7	H652 H660 Y662 N664 E665 Y671 S672	H652-I668 HydrophobicContact CB-CD1 3.95Å; H660-I668 HydrophobicContact CB-CD1 4.34Å; Y662-I668 HydrophobicContact CD1-CD1 3.62Å; Y662-I668 HydrophobicContact CD2-CD1 4.28Å; Y662-I668 HydrophobicContact CE1-CD1 3.49Å; Y662-I668 VanDerWaalsContact CE1-CD1 3.49Å; Y662-I668 HydrophobicContact CE2-CD1 4.16Å; Y662-I668 HydrophobicContact CG-CD1 4.01Å; N664-I668 PolarHBondContact O-N 3.02Å; E665-I668 WeakPolarHBondContact O-CG2 3.35Å; E665-I668 PolarHBondContact O-N 3.06Å; I668-Y671 PolarHBondContact O-N 3.27Å; I668-S672 WeakPolarHBondContact O-CB 3.44Å; I668-S672 PolarHBondContact O-N 2.73Å; I668-S672 PolarHBondContact O-OG 2.9Å
669	I	81.1	Confident	81.7	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-44.6	170.2	-65.7	164.8	0	0	0	110.2	L601 K623 I626 M643 E665 Y671 S672 C673	L601-I669 HydrophobicContact CD1-CG2 3.56Å; L601-I669 HydrophobicContact CD2-CG2 4.49Å; K623-I669 HydrophobicContact CB-CD1 4.2Å; K623-I669 HydrophobicContact CG-CD1 4.36Å; I626-I669 HydrophobicContact CD1-CG2 3.5Å; I626-I669 VanDerWaalsContact CD1-CG2 3.5Å; M643-I669 HydrophobicContact CE-CD1 4.49Å; M643-I669 HydrophobicContact CE-CG1 3.55Å; E665-I669 HydrophobicContact CB-CD1 4.32Å; E665-I669 WeakPolarHBondContact O-CB 3.4Å; E665-I669 WeakPolarHBondContact O-CD1 3.49Å; E665-I669 WeakPolarHBondContact O-CG1 3.42Å; E665-I669 PolarHBondContact O-N 3.33Å; I669-Y671 PolarHBondContact O-N 3.29Å; I669-S672 WeakPolarHBondContact O-CB 3.36Å; I669-S672 PolarHBondContact O-N 3.34Å; I669-C673 PolarHBondContact O-N 3.19Å; I669-C673 PolarHBondContact O-SG 3.49Å
670	H	78.2	Confident	81.6	Confident	30 Å²	30	31.3 Å²	31.3	14%	0.139	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-40.2	177	179.3	-75.9	0	0	0	112.4	Q598 F614 T666 S667 C673 Q674 N953	Q598-H670 PolarHBondContact NE2-CE1 3.49Å; F614-H670 HydrophobicContact CE1-CB 4.15Å; F614-H670 HydrophobicContact CZ-CB 4.48Å; T666-H670 VanDerWaalsContact O-CB 3.25Å; T666-H670 WeakPolarHBondContact O-CB 3.49Å; T666-H670 PolarHBondContact O-N 3.24Å; S667-H670 PolarHBondContact O-N 3.11Å; H670-C673 PolarHBondContact O-N 3.35Å; H670-Q674 PolarHBondContact O-N 2.73Å; H670-Q674 VanDerWaalsContact O-N 3.14Å; H670-N953 PolarHBondContact CE1-ND2 3.36Å
671	Y	81.5	Confident	81.4	Confident	20 Å²	20	31.5 Å²	31.5	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-46.2	171.1	170.3	-101.3	0	0	0	111.7	P641 H652 D654 H660 S667 I668 I669 C673 Q674 Q675	P641-Y671 HydrophobicContact CB-CE1 3.99Å; P641-Y671 HydrophobicContact CG-CD1 4.35Å; P641-Y671 HydrophobicContact CG-CE1 3.83Å; H652-Y671 AromaticContact CD2-CE1 3.33Å; H652-Y671 WeakPolarHBondContact CD2-CE1 3.33Å; H652-Y671 AromaticContact CD2-CZ 3.82Å; H652-Y671 AromaticContact NE2-CE1 3.39Å; H652-Y671 WeakPolarHBondContact NE2-CE1 3.34Å; H652-Y671 AromaticContact NE2-CZ 3.27Å; H652-Y671 VanDerWaalsContact NE2-CZ 3.27Å; H652-Y671 PolarHBondContact NE2-OH 3.26Å; D654-Y671 HydrophobicContact CB-CE2 4.08Å; D654-Y671 WeakPolarHBondContact CB-OH 3.43Å; H660-Y671 HydrophobicContact CB-CD1 4.47Å; H660-Y671 AromaticContact CD2-CE2 3.99Å; H660-Y671 AromaticContact CE1-CD2 3.54Å; H660-Y671 AromaticContact CE1-CE2 3.97Å; H660-Y671 AromaticContact CE1-CG 3.99Å; H660-Y671 AromaticContact CG-CG 3.96Å; H660-Y671 AromaticContact ND1-CD2 3.86Å; H660-Y671 AromaticContact ND1-CG 3.83Å; H660-Y671 AromaticContact NE2-CD2 3.67Å; H660-Y671 AromaticContact NE2-CE2 3.62Å; S667-Y671 WeakPolarHBondContact O-CB 3.3Å; S667-Y671 PolarHBondContact O-N 2.68Å; I668-Y671 PolarHBondContact O-N 3.27Å; I669-Y671 PolarHBondContact O-N 3.29Å; Y671-C673 VanDerWaalsContact C-N 3.31Å; Y671-C673 PolarHBondContact O-N 2.8Å; Y671-Q674 WeakPolarHBondContact O-CA 3.45Å; Y671-Q674 WeakPolarHBondContact O-CB 3.46Å; Y671-Q674 PolarHBondContact O-N 3.14Å; Y671-Q675 HydrophobicContact CD1-CG 4.26Å; Y671-Q675 HydrophobicContact CD2-CG 4.3Å; Y671-Q675 HydrophobicContact CE1-CG 3.75Å; Y671-Q675 HydrophobicContact CE2-CG 3.8Å; Y671-Q675 VanDerWaalsContact CZ-CG 3.49Å; Y671-Q675 PolarHBondContact O-N 2.93Å
672	S	87	Confident	81.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-38.6	175.8	-71.9	0	0	0	0	113.1	M643 I668 I669 L676	M643-S672 PolarHBondContact SD-OG 2.97Å; M643-S672 VanDerWaalsContact SD-OG 3.35Å; I668-S672 WeakPolarHBondContact O-CB 3.44Å; I668-S672 PolarHBondContact O-N 2.73Å; I668-S672 PolarHBondContact O-OG 2.9Å; I669-S672 WeakPolarHBondContact O-CB 3.36Å; I669-S672 PolarHBondContact O-N 3.34Å; S672-L676 WeakPolarHBondContact O-CB 2.87Å; S672-L676 WeakPolarHBondContact O-CG 3.37Å; S672-L676 PolarHBondContact O-N 3.42Å
673	C	86.7	Confident	81.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-41.1	171	-71.8	0	0	0	0	112.4	V594 Q598 I626 I669 H670 Y671 L676 Y677	V594-C673 HydrophobicContact CG1-CB 4.02Å; V594-C673 WeakPolarHBondContact CG1-O 3.27Å; Q598-C673 HydrophobicContact CB-CB 3.82Å; Q598-C673 HydrophobicContact CG-CB 3.86Å; I626-C673 WeakPolarHBondContact CD1-SG 3.39Å; I669-C673 PolarHBondContact O-N 3.19Å; I669-C673 PolarHBondContact O-SG 3.49Å; H670-C673 PolarHBondContact O-N 3.35Å; Y671-C673 VanDerWaalsContact C-N 3.31Å; Y671-C673 PolarHBondContact O-N 2.8Å; C673-L676 PolarHBondContact O-N 3.06Å; C673-Y677 WeakPolarHBondContact O-CB 3.33Å; C673-Y677 PolarHBondContact O-N 3.09Å
674	Q	82.5	Confident	81.1	Confident	25 Å²	25	31.4 Å²	31.4	12%	0.117	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-52.3	176.5	-170.3	60.7	47.5	0	0	110.8	H670 Y671 L676 Y677 D678	H670-Q674 PolarHBondContact O-N 2.73Å; H670-Q674 VanDerWaalsContact O-N 3.14Å; Y671-Q674 WeakPolarHBondContact O-CA 3.45Å; Y671-Q674 WeakPolarHBondContact O-CB 3.46Å; Y671-Q674 PolarHBondContact O-N 3.14Å; Q674-L676 VanDerWaalsContact C-N 3.26Å; Q674-L676 PolarHBondContact O-N 3.25Å; Q674-Y677 WeakPolarHBondContact O-CB 3.45Å; Q674-Y677 PolarHBondContact O-N 2.95Å; Q674-D678 WeakPolarHBondContact CG-OD2 3.41Å; Q674-D678 PolarHBondContact NE2-OD1 2.97Å; Q674-D678 PolarHBondContact NE2-OD2 3.31Å; Q674-D678 PolarHBondContact O-N 2.95Å
675	Q	85.9	Confident	80.7	Confident	23 Å²	23	30 Å²	30	11%	0.107	15%	0.151	C	C	.	.	H	α-helix	trans	-59.8	-35.2	179.3	-57.8	-50.3	97.5	0	0	112.7	L640 P641 Y671 F679	L640-Q675 HydrophobicContact CD2-CB 3.94Å; P641-Q675 HydrophobicContact CG-CB 4.12Å; P641-Q675 HydrophobicContact CG-CG 3.97Å; Y671-Q675 HydrophobicContact CD1-CG 4.26Å; Y671-Q675 HydrophobicContact CD2-CG 4.3Å; Y671-Q675 HydrophobicContact CE1-CG 3.75Å; Y671-Q675 HydrophobicContact CE2-CG 3.8Å; Y671-Q675 VanDerWaalsContact CZ-CG 3.49Å; Y671-Q675 PolarHBondContact O-N 2.93Å; Q675-F679 VanDerWaalsContact O-CB 3.25Å; Q675-F679 WeakPolarHBondContact O-CB 3.42Å; Q675-F679 PolarHBondContact O-N 3.15Å
676	L	88.9	Confident	79.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.4	-44.4	172.2	-82.5	178.2	0	0	0	112.7	V594 I626 L629 L630 A633 S672 C673 Q674 D678 F679 Y680	V594-L676 HydrophobicContact CG1-CB 3.83Å; V594-L676 HydrophobicContact CG2-CB 4.24Å; V594-L676 HydrophobicContact CG2-CD1 4.24Å; I626-L676 HydrophobicContact CG2-CD1 4.28Å; L629-L676 HydrophobicContact CB-CD1 3.79Å; L629-L676 HydrophobicContact CB-CD2 4.44Å; L630-L676 HydrophobicContact CD2-CD1 4.38Å; L630-L676 HydrophobicContact CD2-CD2 3.84Å; L630-L676 HydrophobicContact CD2-CG 3.78Å; L630-L676 HydrophobicContact CG-CD1 4.05Å; L630-L676 HydrophobicContact CG-CD2 4.19Å; L630-L676 HydrophobicContact CG-CG 4.02Å; A633-L676 HydrophobicContact CB-CD2 3.8Å; S672-L676 WeakPolarHBondContact O-CB 2.87Å; S672-L676 WeakPolarHBondContact O-CG 3.37Å; S672-L676 PolarHBondContact O-N 3.42Å; C673-L676 PolarHBondContact O-N 3.06Å; Q674-L676 VanDerWaalsContact C-N 3.26Å; Q674-L676 PolarHBondContact O-N 3.25Å; L676-D678 VanDerWaalsContact C-N 3.33Å; L676-D678 PolarHBondContact O-N 3.31Å; L676-F679 PolarHBondContact O-N 3.44Å; L676-Y680 HydrophobicContact CB-CD2 4.49Å; L676-Y680 HydrophobicContact CB-CE2 4.2Å; L676-Y680 HydrophobicContact CD2-CE2 3.92Å; L676-Y680 WeakPolarHBondContact O-CD2 3.27Å; L676-Y680 PolarHBondContact O-N 3.47Å
677	Y	86.9	Confident	79	Confident	41 Å²	41	30.3 Å²	30.3	16%	0.161	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-44	177.6	175.7	-93.4	0	0	0	111.3	R591 K595 C673 Q674 Y680 T681	R591-Y677 HydrophobicContact CG-CD2 3.4Å; R591-Y677 HydrophobicContact CG-CE2 3.41Å; R591-Y677 VanDerWaalsContact CG-CE2 3.41Å; R591-Y677 HydrophobicContact CG-CG 4.29Å; K595-Y677 HydrophobicContact CB-CD2 3.92Å; K595-Y677 HydrophobicContact CB-CE2 4.01Å; K595-Y677 HydrophobicContact CD-CD2 4.44Å; K595-Y677 HydrophobicContact CD-CE2 3.73Å; K595-Y677 HydrophobicContact CG-CD2 4.33Å; K595-Y677 HydrophobicContact CG-CE2 4.1Å; K595-Y677 PolarHBondContact NZ-OH 2.86Å; C673-Y677 WeakPolarHBondContact O-CB 3.33Å; C673-Y677 PolarHBondContact O-N 3.09Å; Q674-Y677 WeakPolarHBondContact O-CB 3.45Å; Q674-Y677 PolarHBondContact O-N 2.95Å; Y677-Y680 PolarHBondContact O-N 2.9Å; Y677-T681 WeakPolarHBondContact O-CB 3.25Å; Y677-T681 PolarHBondContact O-N 3.02Å; Y677-T681 PolarHBondContact O-OG1 3.35Å
678	D	80	Confident	78.5	Confident	53 Å²	53	31.1 Å²	31.1	28%	0.283	18%	0.176	S	C	.	.	H	α-helix	trans	-72.7	-33.4	178.9	-63.2	-37.8	0	0	0	111.9	Q674 L676 R682	Q674-D678 WeakPolarHBondContact CG-OD2 3.41Å; Q674-D678 PolarHBondContact NE2-OD1 2.97Å; Q674-D678 PolarHBondContact NE2-OD2 3.31Å; Q674-D678 PolarHBondContact O-N 2.95Å; L676-D678 VanDerWaalsContact C-N 3.33Å; L676-D678 PolarHBondContact O-N 3.31Å; D678-R682 WeakPolarHBondContact O-CG 3.29Å; D678-R682 PolarHBondContact O-N 3.27Å; D678-R682 PolarHBondContact O-NE 2.86Å
679	F	86.8	Confident	78	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-52.9	168.1	171.6	-100.2	0	0	0	112.4	A633 K636 D637 L640 Q675 L676 T681 R682 Q683	A633-F679 HydrophobicContact CB-CD1 3.69Å; A633-F679 HydrophobicContact CB-CE1 3.54Å; A633-F679 HydrophobicContact CB-CG 4.3Å; A633-F679 HydrophobicContact CB-CZ 4.04Å; K636-F679 HydrophobicContact CB-CE2 4.21Å; K636-F679 HydrophobicContact CB-CZ 3.98Å; K636-F679 HydrophobicContact CD-CZ 3.95Å; D637-F679 HydrophobicContact CB-CD2 3.87Å; D637-F679 HydrophobicContact CB-CE2 3.68Å; L640-F679 HydrophobicContact CD1-CB 4.09Å; L640-F679 HydrophobicContact CD1-CD1 4.46Å; L640-F679 HydrophobicContact CD1-CD2 3.85Å; L640-F679 HydrophobicContact CD1-CE2 4.42Å; L640-F679 HydrophobicContact CD1-CG 3.87Å; L640-F679 HydrophobicContact CD2-CB 4.26Å; Q675-F679 VanDerWaalsContact O-CB 3.25Å; Q675-F679 WeakPolarHBondContact O-CB 3.42Å; Q675-F679 PolarHBondContact O-N 3.15Å; L676-F679 PolarHBondContact O-N 3.44Å; F679-T681 VanDerWaalsContact C-N 3.26Å; F679-T681 PolarHBondContact O-N 2.85Å; F679-R682 PolarHBondContact O-N 2.82Å; F679-Q683 HydrophobicContact CE1-CG 4.1Å; F679-Q683 HydrophobicContact CE2-CG 4.26Å; F679-Q683 HydrophobicContact CZ-CG 3.95Å; F679-Q683 WeakPolarHBondContact O-CG 3.48Å; F679-Q683 PolarHBondContact O-N 3.03Å
680	Y	87.7	Confident	77.7	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-30.8	179.3	-65.7	-55	0	0	0	112.1	F587 R590 V594 L676 Y677 Q683 L684	F587-Y680 AromaticContact CD1-CD1 3.94Å; F587-Y680 HydrophobicContact CD1-CD1 3.94Å; F587-Y680 HydrophobicContact CD1-CE1 4.28Å; R590-Y680 HydrophobicContact CB-CD1 4.19Å; R590-Y680 HydrophobicContact CB-CD2 4.04Å; R590-Y680 HydrophobicContact CB-CE1 4.1Å; R590-Y680 HydrophobicContact CB-CE2 3.96Å; R590-Y680 HydrophobicContact CB-CG 4.19Å; R590-Y680 VanDerWaalsContact CD-CE1 3.44Å; R590-Y680 HydrophobicContact CG-CE1 4.44Å; V594-Y680 HydrophobicContact CG2-CD2 4.4Å; V594-Y680 HydrophobicContact CG2-CE2 4.11Å; L676-Y680 HydrophobicContact CB-CD2 4.49Å; L676-Y680 HydrophobicContact CB-CE2 4.2Å; L676-Y680 HydrophobicContact CD2-CE2 3.92Å; L676-Y680 WeakPolarHBondContact O-CD2 3.27Å; L676-Y680 PolarHBondContact O-N 3.47Å; Y677-Y680 PolarHBondContact O-N 2.9Å; Y680-Q683 PolarHBondContact O-N 3.45Å; Y680-L684 WeakPolarHBondContact O-CB 3.14Å; Y680-L684 WeakPolarHBondContact O-CD1 3.41Å; Y680-L684 VanDerWaalsContact O-CG 3.27Å; Y680-L684 WeakPolarHBondContact O-CG 3.43Å; Y680-L684 PolarHBondContact O-N 2.92Å; Y680-L684 VanDerWaalsContact O-N 3.11Å
681	T	80.2	Confident	77.5	Confident	44 Å²	44	40 Å²	40	27%	0.27	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-47.8	171.7	-59.6	0	0	0	0	111.5	R591 Y677 F679 Q683 L684 S685	R591-T681 WeakPolarHBondContact CD-OG1 3.3Å; Y677-T681 WeakPolarHBondContact O-CB 3.25Å; Y677-T681 PolarHBondContact O-N 3.02Å; Y677-T681 PolarHBondContact O-OG1 3.35Å; F679-T681 VanDerWaalsContact C-N 3.26Å; F679-T681 PolarHBondContact O-N 2.85Å; T681-Q683 VanDerWaalsContact C-N 3.27Å; T681-Q683 PolarHBondContact O-N 3.23Å; T681-L684 PolarHBondContact O-N 3.48Å; T681-S685 PolarHBondContact O-N 3.28Å; T681-S685 PolarHBondContact O-OG 3.13Å
682	R	78.2	Confident	77.2	Confident	104 Å²	104	46.1 Å²	46.1	39%	0.392	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-33.4	173.9	-73.6	-179.3	-69.2	140.8	-5.1	113.4	D637 D678 F679	D637-R682 IonicContact OD2-CZ 3.38Å; D637-R682 VanDerWaalsContact OD2-CZ 3.31Å; D637-R682 IonicContact OD2-NH1 3.96Å; D637-R682 PolarHBondContact OD2-NH1 3.07Å; D637-R682 IonicContact OD2-NH2 3.26Å; D637-R682 PolarHBondContact OD2-NH2 3.38Å; D678-R682 WeakPolarHBondContact O-CG 3.29Å; D678-R682 PolarHBondContact O-N 3.27Å; D678-R682 PolarHBondContact O-NE 2.86Å; F679-R682 PolarHBondContact O-N 2.82Å
683	Q	82.4	Confident	76.8	Confident	61 Å²	61	50.5 Å²	50.5	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-71.3	-30.4	174.2	-62	-66.8	-85.4	0	0	112.5	F587 F679 Y680 T681	F587-Q683 HydrophobicContact CD1-CB 4.49Å; F587-Q683 HydrophobicContact CD2-CB 4.04Å; F587-Q683 HydrophobicContact CE2-CB 4.44Å; F587-Q683 HydrophobicContact CG-CB 4.12Å; F679-Q683 HydrophobicContact CE1-CG 4.1Å; F679-Q683 HydrophobicContact CE2-CG 4.26Å; F679-Q683 HydrophobicContact CZ-CG 3.95Å; F679-Q683 WeakPolarHBondContact O-CG 3.48Å; F679-Q683 PolarHBondContact O-N 3.03Å; Y680-Q683 PolarHBondContact O-N 3.45Å; T681-Q683 VanDerWaalsContact C-N 3.27Å; T681-Q683 PolarHBondContact O-N 3.23Å
684	L	75.4	Confident	76.6	Confident	34 Å²	34	50.5 Å²	50.5	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-83.3	-23.6	-175.1	-79.3	164.4	0	0	0	115	M584 F587 K588 R591 Y680 T681 G686	M584-L684 HydrophobicContact CE-CD2 4.41Å; M584-L684 WeakPolarHBondContact CE-O 3.2Å; M584-L684 VanDerWaalsContact O-CD2 3.24Å; M584-L684 WeakPolarHBondContact O-CD2 3.08Å; F587-L684 HydrophobicContact CB-CD1 4.41Å; F587-L684 HydrophobicContact CB-CD2 3.89Å; F587-L684 HydrophobicContact CB-CG 3.88Å; K588-L684 HydrophobicContact CB-CD1 4.43Å; K588-L684 HydrophobicContact CB-CD2 4.05Å; R591-L684 HydrophobicContact CB-CD1 4.09Å; Y680-L684 WeakPolarHBondContact O-CB 3.14Å; Y680-L684 WeakPolarHBondContact O-CD1 3.41Å; Y680-L684 VanDerWaalsContact O-CG 3.27Å; Y680-L684 WeakPolarHBondContact O-CG 3.43Å; Y680-L684 PolarHBondContact O-N 2.92Å; Y680-L684 VanDerWaalsContact O-N 3.11Å; T681-L684 PolarHBondContact O-N 3.48Å; L684-G686 VanDerWaalsContact C-N 3.26Å
685	S	66.7	Low	76.5	Confident	51 Å²	51	51 Å²	51	36%	0.357	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3.6	174.9	50	0	0	0	0	113.4	T681 G687	T681-S685 PolarHBondContact O-N 3.28Å; T681-S685 PolarHBondContact O-OG 3.13Å; S685-G687 VanDerWaalsContact C-N 3.27Å; S685-G687 CarbonylContact C-O 3.57Å; S685-G687 VanDerWaalsContact C-O 3.24Å; S685-G687 WeakPolarHBondContact CB-O 3.43Å; S685-G687 PolarHBondContact O-N 3.44Å; S685-G687 VanDerWaalsContact O-O 3.11Å; S685-G687 PolarHBondContact OG-O 3.46Å
686	G	54.1	Low	76	Confident	68 Å²	68	54.3 Å²	54.3	70%	0.701	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	16.7	179.6	0	0	0	0	0	114.3	L684	L684-G686 VanDerWaalsContact C-N 3.26Å
687	G	56.3	Low	75.2	Confident	23 Å²	23	55.5 Å²	55.5	24%	0.237	29%	0.285	C	S	.	.	S	Bend	trans	121.6	169.4	-157.1	0	0	0	0	0	109.3	S685 E689	S685-G687 VanDerWaalsContact C-N 3.27Å; S685-G687 CarbonylContact C-O 3.57Å; S685-G687 VanDerWaalsContact C-O 3.24Å; S685-G687 WeakPolarHBondContact CB-O 3.43Å; S685-G687 PolarHBondContact O-N 3.44Å; S685-G687 VanDerWaalsContact O-O 3.11Å; S685-G687 PolarHBondContact OG-O 3.46Å; G687-E689 PolarHBondContact O-N 2.96Å
688	D	62.6	Low	74.4	Confident	65 Å²	65	54.2 Å²	54.2	35%	0.348	28%	0.281	S	S	.	.			trans	-87.1	95.1	177.2	-178.7	-12.6	0	0	0	109.1	N690 F691 Y692	D688-N690 PolarHBondContact O-N 2.9Å; D688-N690 WeakPolarHBondContact OD1-CA 3.44Å; D688-N690 WeakPolarHBondContact OD1-CB 3.46Å; D688-N690 PolarHBondContact OD1-N 3.4Å; D688-F691 HydrophobicContact CB-CB 3.66Å; D688-F691 VanDerWaalsContact CG-CB 3.44Å; D688-F691 WeakPolarHBondContact O-CB 3.32Å; D688-F691 PolarHBondContact O-N 3.35Å; D688-F691 VanDerWaalsContact O-N 3.11Å; D688-F691 PolarHBondContact OD1-N 3.48Å; D688-Y692 WeakPolarHBondContact O-CD2 3.44Å; D688-Y692 PolarHBondContact O-N 3.14Å
689	E	68.3	Low	73.9	Confident	136 Å²	136	55.5 Å²	55.5	64%	0.636	29%	0.291	S	S	*	.	H	α-helix	trans	-55.8	-31.4	177.6	-69.1	-169.7	152.3	0	0	112.5	G687 Y692 R693	G687-E689 PolarHBondContact O-N 2.96Å; E689-Y692 PolarHBondContact O-N 2.92Å; E689-R693 WeakPolarHBondContact O-CB 3.06Å; E689-R693 VanDerWaalsContact O-CG 3.23Å; E689-R693 WeakPolarHBondContact O-CG 3.49Å; E689-R693 PolarHBondContact O-N 3.42Å
690	N	74.7	Confident	72.9	Confident	27 Å²	27	58.5 Å²	58.5	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-73.5	-43.5	177.3	-178.5	62.6	0	0	0	110.3	D688 Y692 R693 W694 S716 G717	D688-N690 PolarHBondContact O-N 2.9Å; D688-N690 WeakPolarHBondContact OD1-CA 3.44Å; D688-N690 WeakPolarHBondContact OD1-CB 3.46Å; D688-N690 PolarHBondContact OD1-N 3.4Å; N690-Y692 VanDerWaalsContact C-N 3.32Å; N690-Y692 PolarHBondContact O-N 3.14Å; N690-R693 PolarHBondContact O-N 3.39Å; N690-W694 VanDerWaalsContact O-CD1 3.24Å; N690-W694 PolarHBondContact O-N 3.41Å; N690-S716 PolarHBondContact ND2-O 3.37Å; N690-S716 VanDerWaalsContact OD1-CB 3.32Å; N690-S716 WeakPolarHBondContact OD1-CB 3.25Å; N690-S716 PolarHBondContact OD1-OG 3.08Å; N690-G717 PolarHBondContact ND2-O 2.74Å
691	F	74.2	Confident	71	Confident	58 Å²	58	60 Å²	60	25%	0.254	32%	0.318	S	S	.	.	H	α-helix	trans	-55.7	-45.9	168.6	-178.1	-90.3	0	0	0	111.4	D688 W694 T695 P719 Y722	D688-F691 HydrophobicContact CB-CB 3.66Å; D688-F691 VanDerWaalsContact CG-CB 3.44Å; D688-F691 WeakPolarHBondContact O-CB 3.32Å; D688-F691 PolarHBondContact O-N 3.35Å; D688-F691 VanDerWaalsContact O-N 3.11Å; D688-F691 PolarHBondContact OD1-N 3.48Å; F691-W694 PolarHBondContact O-N 3.24Å; F691-T695 VanDerWaalsContact CE1-OG1 3.22Å; F691-T695 WeakPolarHBondContact CE1-OG1 3.27Å; F691-T695 WeakPolarHBondContact O-CB 3.49Å; F691-T695 PolarHBondContact O-N 2.63Å; F691-T695 PolarHBondContact O-OG1 3Å; F691-P719 HydrophobicContact CB-CG 4.29Å; F691-P719 HydrophobicContact CD2-CB 3.84Å; F691-P719 HydrophobicContact CD2-CG 4.15Å; F691-Y722 AromaticContact CD2-CE2 3.9Å; F691-Y722 HydrophobicContact CD2-CE2 3.9Å; F691-Y722 HydrophobicContact CE2-CD2 4.43Å; F691-Y722 AromaticContact CE2-CE2 3.6Å; F691-Y722 HydrophobicContact CE2-CE2 3.6Å; F691-Y722 AromaticContact CE2-CZ 3.99Å; F691-Y722 HydrophobicContact CZ-CE2 4.16Å
692	Y	75.2	Confident	69.6	Low	150 Å²	150	62.8 Å²	62.8	59%	0.588	33%	0.331	S	S	*	.	H	α-helix	trans	-62.7	-42.9	176.9	-75.4	-63.8	0	0	0	113	D688 E689 N690 W694 T695 E696	D688-Y692 WeakPolarHBondContact O-CD2 3.44Å; D688-Y692 PolarHBondContact O-N 3.14Å; E689-Y692 PolarHBondContact O-N 2.92Å; N690-Y692 VanDerWaalsContact C-N 3.32Å; N690-Y692 PolarHBondContact O-N 3.14Å; Y692-W694 VanDerWaalsContact C-N 3.34Å; Y692-W694 PolarHBondContact O-N 3.49Å; Y692-T695 PolarHBondContact O-N 2.95Å; Y692-E696 VanDerWaalsContact O-CB 3.32Å; Y692-E696 WeakPolarHBondContact O-CB 3.38Å; Y692-E696 PolarHBondContact O-N 3.46Å
693	R	79	Confident	68.7	Low	91 Å²	91	64.6 Å²	64.6	34%	0.343	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-38.5	175.9	-74.6	169.9	64.5	-128.1	-6.9	112.3	E689 N690 L697 L713 S716	E689-R693 WeakPolarHBondContact O-CB 3.06Å; E689-R693 VanDerWaalsContact O-CG 3.23Å; E689-R693 WeakPolarHBondContact O-CG 3.49Å; E689-R693 PolarHBondContact O-N 3.42Å; N690-R693 PolarHBondContact O-N 3.39Å; R693-L697 WeakPolarHBondContact O-CB 3.44Å; R693-L697 WeakPolarHBondContact O-CG 3.5Å; R693-L697 PolarHBondContact O-N 3.16Å; R693-L697 VanDerWaalsContact O-N 3.1Å; R693-L713 HydrophobicContact CB-CD2 4.24Å; R693-S716 PolarHBondContact NH1-OG 3.21Å
694	W	82.5	Confident	67.5	Low	0 Å²	0	66 Å²	66	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-54	169.7	-83.9	100.4	0	0	0	110.8	N690 F691 Y692 E696 L697 L698 L710 L713 G717 V718 P719 Y722 V726	N690-W694 VanDerWaalsContact O-CD1 3.24Å; N690-W694 PolarHBondContact O-N 3.41Å; F691-W694 PolarHBondContact O-N 3.24Å; Y692-W694 VanDerWaalsContact C-N 3.34Å; Y692-W694 PolarHBondContact O-N 3.49Å; W694-E696 VanDerWaalsContact C-N 3.28Å; W694-E696 PolarHBondContact O-N 3.35Å; W694-L697 PolarHBondContact O-N 3.42Å; W694-L698 HydrophobicContact CE3-CD1 4.16Å; W694-L698 HydrophobicContact CE3-CD2 4.26Å; W694-L698 HydrophobicContact CE3-CG 4.22Å; W694-L698 HydrophobicContact CZ3-CD2 4.49Å; W694-L698 VanDerWaalsContact O-CB 3.31Å; W694-L698 WeakPolarHBondContact O-CB 3.49Å; W694-L698 WeakPolarHBondContact O-CG 3.4Å; W694-L698 PolarHBondContact O-N 3.45Å; W694-L710 HydrophobicContact CH2-CD2 4.49Å; W694-L713 HydrophobicContact CD2-CB 4.46Å; W694-L713 HydrophobicContact CD2-CD1 4.08Å; W694-L713 HydrophobicContact CD2-CD2 4.39Å; W694-L713 HydrophobicContact CE3-CD1 4.04Å; W694-L713 HydrophobicContact CG-CD2 4.36Å; W694-L713 HydrophobicContact CH2-CB 4.08Å; W694-L713 HydrophobicContact CH2-CD1 4.22Å; W694-L713 HydrophobicContact CZ2-CB 3.53Å; W694-L713 HydrophobicContact CZ2-CD1 4.26Å; W694-L713 HydrophobicContact CZ2-CG 4.44Å; W694-L713 HydrophobicContact CZ3-CD1 4.11Å; W694-G717 PolarHBondContact NE1-O 2.86Å; W694-V718 HydrophobicContact CH2-CG2 4.15Å; W694-V718 HydrophobicContact CZ2-CB 4.28Å; W694-V718 HydrophobicContact CZ2-CG1 4.31Å; W694-V718 HydrophobicContact CZ2-CG2 3.69Å; W694-P719 HydrophobicContact CB-CG 4.23Å; W694-P719 HydrophobicContact CG-CG 4.06Å; W694-Y722 HydrophobicContact CB-CD2 4Å; W694-Y722 HydrophobicContact CB-CE2 4.1Å; W694-V726 HydrophobicContact CE3-CG2 4.27Å; W694-V726 HydrophobicContact CH2-CG1 3.92Å; W694-V726 HydrophobicContact CH2-CG2 3.78Å; W694-V726 HydrophobicContact CZ3-CG1 4.41Å; W694-V726 HydrophobicContact CZ3-CG2 3.51Å
695	T	79.8	Confident	67.1	Low	35 Å²	35	65.7 Å²	65.7	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-54.5	-43	178.7	-56.6	0	0	0	0	112	F691 Y692 T699 Y722	F691-T695 VanDerWaalsContact CE1-OG1 3.22Å; F691-T695 WeakPolarHBondContact CE1-OG1 3.27Å; F691-T695 WeakPolarHBondContact O-CB 3.49Å; F691-T695 PolarHBondContact O-N 2.63Å; F691-T695 PolarHBondContact O-OG1 3Å; Y692-T695 PolarHBondContact O-N 2.95Å; T695-T699 HydrophobicContact CG2-CG2 4.22Å; T695-T699 VanDerWaalsContact O-CB 3.3Å; T695-T699 WeakPolarHBondContact O-CB 3.29Å; T695-T699 VanDerWaalsContact O-CG2 3.28Å; T695-T699 WeakPolarHBondContact O-CG2 3.21Å; T695-T699 PolarHBondContact O-N 3.41Å; T695-T699 PolarHBondContact O-OG1 3.48Å; T695-Y722 PolarHBondContact OG1-OH 3.37Å
696	E	76.5	Confident	67.6	Low	94 Å²	94	66.6 Å²	66.6	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-57.1	175.7	-176.7	-171.6	172.8	0	0	111.2	Y692 W694 L698 T699 Q700	Y692-E696 VanDerWaalsContact O-CB 3.32Å; Y692-E696 WeakPolarHBondContact O-CB 3.38Å; Y692-E696 PolarHBondContact O-N 3.46Å; W694-E696 VanDerWaalsContact C-N 3.28Å; W694-E696 PolarHBondContact O-N 3.35Å; E696-L698 PolarHBondContact O-N 3.43Å; E696-T699 PolarHBondContact O-N 2.94Å; E696-T699 PolarHBondContact O-OG1 3.01Å; E696-Q700 HydrophobicContact CG-CG 4.31Å; E696-Q700 WeakPolarHBondContact O-CB 3.2Å; E696-Q700 VanDerWaalsContact O-CG 3.3Å; E696-Q700 WeakPolarHBondContact O-CG 3.36Å; E696-Q700 PolarHBondContact O-N 3.23Å; E696-Q700 PolarHBondContact OE1-NE2 2.92Å
697	L	72.2	Confident	69	Low	25 Å²	25	69.7 Å²	69.7	13%	0.131	34%	0.337	C	S	.	.	H	α-helix	trans	-68	-24.5	-176.6	-73.3	165.5	0	0	0	113	R693 W694 L705 L713	R693-L697 WeakPolarHBondContact O-CB 3.44Å; R693-L697 WeakPolarHBondContact O-CG 3.5Å; R693-L697 PolarHBondContact O-N 3.16Å; R693-L697 VanDerWaalsContact O-N 3.1Å; W694-L697 PolarHBondContact O-N 3.42Å; L697-L705 HydrophobicContact CB-CD2 4.49Å; L697-L713 HydrophobicContact CD1-CD1 3.74Å; L697-L713 HydrophobicContact CD1-CD2 4.18Å; L697-L713 HydrophobicContact CD1-CG 4.23Å
698	L	70.4	Confident	70.2	Confident	14 Å²	14	71.4 Å²	71.4	7%	0.073	35%	0.349	C	S	.	.	H	α-helix	trans	-80.2	-37.5	172	-62.7	-173.4	0	0	0	112.3	Y30 F31 W694 E696 Y722	Y30-L698 WeakPolarHBondContact CE1-O 3.15Å; Y30-L698 PolarHBondContact OH-O 3.09Å; F31-L698 HydrophobicContact CD1-CD2 4.2Å; F31-L698 HydrophobicContact CE1-CD1 4.35Å; F31-L698 HydrophobicContact CE1-CD2 3.2Å; F31-L698 HydrophobicContact CE1-CG 4.39Å; F31-L698 HydrophobicContact CE2-CD1 4.22Å; F31-L698 HydrophobicContact CE2-CD2 4.44Å; F31-L698 HydrophobicContact CZ-CD1 3.59Å; F31-L698 HydrophobicContact CZ-CD2 3.34Å; F31-L698 HydrophobicContact CZ-CG 4.1Å; W694-L698 HydrophobicContact CE3-CD1 4.16Å; W694-L698 HydrophobicContact CE3-CD2 4.26Å; W694-L698 HydrophobicContact CE3-CG 4.22Å; W694-L698 HydrophobicContact CZ3-CD2 4.49Å; W694-L698 VanDerWaalsContact O-CB 3.31Å; W694-L698 WeakPolarHBondContact O-CB 3.49Å; W694-L698 WeakPolarHBondContact O-CG 3.4Å; W694-L698 PolarHBondContact O-N 3.45Å; E696-L698 PolarHBondContact O-N 3.43Å; L698-Y722 HydrophobicContact CD1-CD1 3.6Å; L698-Y722 HydrophobicContact CD1-CD2 4.07Å; L698-Y722 HydrophobicContact CD1-CE1 3.89Å; L698-Y722 HydrophobicContact CD1-CE2 4.32Å; L698-Y722 HydrophobicContact CD1-CG 3.71Å
699	T	69	Low	71.2	Confident	80 Å²	80	71.4 Å²	71.4	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-84.6	-17.2	-179.4	56	0	0	0	0	114.2	T695 E696 A701	T695-T699 HydrophobicContact CG2-CG2 4.22Å; T695-T699 VanDerWaalsContact O-CB 3.3Å; T695-T699 WeakPolarHBondContact O-CB 3.29Å; T695-T699 VanDerWaalsContact O-CG2 3.28Å; T695-T699 WeakPolarHBondContact O-CG2 3.21Å; T695-T699 PolarHBondContact O-N 3.41Å; T695-T699 PolarHBondContact O-OG1 3.48Å; E696-T699 PolarHBondContact O-N 2.94Å; E696-T699 PolarHBondContact O-OG1 3.01Å; T699-A701 PolarHBondContact O-N 2.8Å
700	Q	65	Low	72.1	Confident	67 Å²	67	65.2 Å²	65.2	31%	0.313	32%	0.32	S	S	.	.			trans	-70.6	75.9	172.6	-78.9	177.7	5.2	0	0	111.6	E696 N702 R703	E696-Q700 HydrophobicContact CG-CG 4.31Å; E696-Q700 WeakPolarHBondContact O-CB 3.2Å; E696-Q700 VanDerWaalsContact O-CG 3.3Å; E696-Q700 WeakPolarHBondContact O-CG 3.36Å; E696-Q700 PolarHBondContact O-N 3.23Å; E696-Q700 PolarHBondContact OE1-NE2 2.92Å; Q700-N702 PolarHBondContact O-N 3.21Å; Q700-R703 HydrophobicContact CB-CB 4.43Å; Q700-R703 PolarHBondContact O-N 3.27Å; Q700-R703 VanDerWaalsContact O-N 3.13Å
701	A	49.3	Very low	72.8	Confident	33 Å²	33	66 Å²	66	27%	0.273	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	15.2	-170.1	0	0	0	0	0	117	Y30 R37 T699	Y30-A701 HydrophobicContact CE2-CB 4.33Å; Y30-A701 VanDerWaalsContact OH-CA 3.25Å; Y30-A701 WeakPolarHBondContact OH-CA 3.44Å; Y30-A701 WeakPolarHBondContact OH-CB 3.44Å; R37-A701 PolarHBondContact NH1-O 2.84Å; T699-A701 PolarHBondContact O-N 2.8Å
702	N	50.3	Low	73.5	Confident	103 Å²	103	66.9 Å²	66.9	55%	0.551	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	1.9	176.2	-82.4	-31.2	0	0	0	114.4	I102 Q700	I102-N702 VanDerWaalsContact CD1-OD1 3.25Å; I102-N702 WeakPolarHBondContact CD1-OD1 3.49Å; Q700-N702 PolarHBondContact O-N 3.21Å
703	R	58.1	Low	74.1	Confident	141 Å²	141	59.8 Å²	59.8	53%	0.532	31%	0.305	S	S	.	.			trans	-93.2	123.8	-177.2	-151.3	168	-173.7	167	-0.6	111.1	Q700 L705	Q700-R703 HydrophobicContact CB-CB 4.43Å; Q700-R703 PolarHBondContact O-N 3.27Å; Q700-R703 VanDerWaalsContact O-N 3.13Å; R703-L705 PolarHBondContact O-N 3.32Å
704	E	57.1	Low	74.7	Confident	92 Å²	92	55.4 Å²	55.4	43%	0.43	29%	0.289	S	S	.	.			trans	-73	103.5	167.8	-70.6	178.8	-164.7	0	0	108.3	T706	E704-T706 PolarHBondContact O-N 3.41Å
705	L	67.2	Low	75.1	Confident	26 Å²	26	58.1 Å²	58.1	14%	0.136	30%	0.299	C	S	.	.			trans	-64.4	121	174.9	-81.8	85.2	0	0	0	109.3	L697 R703 L710	L697-L705 HydrophobicContact CB-CD2 4.49Å; R703-L705 PolarHBondContact O-N 3.32Å; L705-L710 HydrophobicContact CB-CG 4.42Å; L705-L710 HydrophobicContact CD2-CD2 3.79Å; L705-L710 HydrophobicContact CD2-CG 4.17Å
706	T	78.7	Confident	75.4	Confident	71 Å²	71	58.2 Å²	58.2	44%	0.436	30%	0.301	S	S	.	.			trans	-78.2	158.4	173.8	78.8	0	0	0	0	110.3	E704 A708 D709 L710	E704-T706 PolarHBondContact O-N 3.41Å; T706-A708 PolarHBondContact O-N 3.35Å; T706-A708 PolarHBondContact OG1-N 3.23Å; T706-D709 VanDerWaalsContact CB-OD2 3.27Å; T706-D709 WeakPolarHBondContact CB-OD2 3.43Å; T706-D709 WeakPolarHBondContact CG2-OD2 3.26Å; T706-D709 PolarHBondContact N-OD2 2.92Å; T706-D709 PolarHBondContact O-N 2.75Å; T706-D709 VanDerWaalsContact O-N 3.17Å; T706-D709 VanDerWaalsContact OG1-CG 3.28Å; T706-D709 PolarHBondContact OG1-N 2.71Å; T706-D709 PolarHBondContact OG1-OD2 3.24Å; T706-L710 PolarHBondContact O-N 3.15Å; T706-L710 VanDerWaalsContact O-N 3.17Å
707	R	82.1	Confident	76	Confident	132 Å²	132	53.9 Å²	53.9	50%	0.498	28%	0.282	S	S	.	.	H	α-helix	trans	-57	-31.6	171.5	-176	177.2	171.7	105.5	8	112.1	E711 L911	R707-E711 IonicContact NE-OE1 3.57Å; R707-E711 PolarHBondContact NE-OE1 3.22Å; R707-E711 IonicContact NH2-OE1 2.64Å; R707-E711 WeakPolarHBondContact O-CB 3.27Å; R707-E711 WeakPolarHBondContact O-CG 3.5Å; R707-E711 PolarHBondContact O-N 2.94Å; R707-L911 HydrophobicContact CG-CD1 4.48Å; R707-L911 PolarHBondContact NH1-O 3.37Å; R707-L911 PolarHBondContact NH2-O 3.43Å
708	A	82.6	Confident	76.9	Confident	60 Å²	60	53 Å²	53	50%	0.496	28%	0.277	S	S	.	.	H	α-helix	trans	-69.3	-39.1	178.4	0	0	0	0	0	112.3	T706 E711 V712	T706-A708 PolarHBondContact O-N 3.35Å; T706-A708 PolarHBondContact OG1-N 3.23Å; A708-E711 PolarHBondContact O-N 3.13Å; A708-V712 WeakPolarHBondContact O-CG2 3.43Å; A708-V712 PolarHBondContact O-N 3.25Å
709	D	83.7	Confident	77.7	Confident	65 Å²	65	52.8 Å²	52.8	35%	0.348	28%	0.277	S	S	.	.	H	α-helix	trans	-64.5	-45.2	175.5	-55.2	-59.6	0	0	0	110.8	T706 E711 V712 L713	T706-D709 VanDerWaalsContact CB-OD2 3.27Å; T706-D709 WeakPolarHBondContact CB-OD2 3.43Å; T706-D709 WeakPolarHBondContact CG2-OD2 3.26Å; T706-D709 PolarHBondContact N-OD2 2.92Å; T706-D709 PolarHBondContact O-N 2.75Å; T706-D709 VanDerWaalsContact O-N 3.17Å; T706-D709 VanDerWaalsContact OG1-CG 3.28Å; T706-D709 PolarHBondContact OG1-N 2.71Å; T706-D709 PolarHBondContact OG1-OD2 3.24Å; D709-E711 PolarHBondContact O-N 2.85Å; D709-V712 PolarHBondContact O-N 2.87Å; D709-L713 WeakPolarHBondContact O-CG 3.5Å; D709-L713 PolarHBondContact O-N 3.13Å
710	L	86	Confident	78.3	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-40.7	174.8	-73.1	168	0	0	0	112.2	F35 W694 L705 T706 V712 L713 C714 M729 L911	F35-L710 HydrophobicContact CE2-CD1 4.14Å; F35-L710 HydrophobicContact CZ-CD1 3.74Å; W694-L710 HydrophobicContact CH2-CD2 4.49Å; L705-L710 HydrophobicContact CB-CG 4.42Å; L705-L710 HydrophobicContact CD2-CD2 3.79Å; L705-L710 HydrophobicContact CD2-CG 4.17Å; T706-L710 PolarHBondContact O-N 3.15Å; T706-L710 VanDerWaalsContact O-N 3.17Å; L710-V712 VanDerWaalsContact C-N 3.34Å; L710-V712 PolarHBondContact O-N 3.12Å; L710-L713 PolarHBondContact O-N 3.33Å; L710-C714 WeakPolarHBondContact O-CB 3.4Å; L710-C714 PolarHBondContact O-N 2.63Å; L710-M729 HydrophobicContact CD2-CE 4.28Å; L710-L911 VanDerWaalsContact C-CD2 3.5Å; L710-L911 HydrophobicContact CB-CD2 3.95Å; L710-L911 WeakPolarHBondContact O-CD2 3.25Å
711	E	90.6	Very high	79.2	Confident	43 Å²	43	55.1 Å²	55.1	20%	0.201	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-38.9	175.3	-85.1	-176.7	-148.7	0	0	112	R707 A708 D709 R715 L911 E912	R707-E711 IonicContact NE-OE1 3.57Å; R707-E711 PolarHBondContact NE-OE1 3.22Å; R707-E711 IonicContact NH2-OE1 2.64Å; R707-E711 WeakPolarHBondContact O-CB 3.27Å; R707-E711 WeakPolarHBondContact O-CG 3.5Å; R707-E711 PolarHBondContact O-N 2.94Å; A708-E711 PolarHBondContact O-N 3.13Å; D709-E711 PolarHBondContact O-N 2.85Å; E711-R715 WeakPolarHBondContact O-CB 3.39Å; E711-R715 WeakPolarHBondContact O-CD 3.08Å; E711-R715 WeakPolarHBondContact O-CG 3.41Å; E711-R715 PolarHBondContact O-N 3.14Å; E711-R715 IonicContact OE2-CZ 3.39Å; E711-R715 IonicContact OE2-NH1 2.76Å; E711-R715 PolarHBondContact OE2-NH1 2.86Å; E711-R715 IonicContact OE2-NH2 3.86Å; E711-R715 PolarHBondContact OE2-NH2 2.76Å; E711-L911 HydrophobicContact CB-CD2 4.33Å; E711-L911 HydrophobicContact CG-CD2 3.85Å; E711-L911 HydrophobicContact CG-CG 4.31Å; E711-E912 HydrophobicContact CG-CG 4.12Å
712	V	88.5	Confident	81	Confident	77 Å²	77	54.9 Å²	54.9	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-67.5	-42.8	174.6	174.4	0	0	0	0	111.1	A708 D709 L710 S716	A708-V712 WeakPolarHBondContact O-CG2 3.43Å; A708-V712 PolarHBondContact O-N 3.25Å; D709-V712 PolarHBondContact O-N 2.87Å; L710-V712 VanDerWaalsContact C-N 3.34Å; L710-V712 PolarHBondContact O-N 3.12Å; V712-S716 PolarHBondContact O-N 3.23Å; V712-S716 PolarHBondContact O-OG 2.77Å
713	L	88	Confident	83	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-46.8	179.7	-75.9	178.4	0	0	0	113.5	R693 W694 L697 D709 L710 R715 S716 G717	R693-L713 HydrophobicContact CB-CD2 4.24Å; W694-L713 HydrophobicContact CD2-CB 4.46Å; W694-L713 HydrophobicContact CD2-CD1 4.08Å; W694-L713 HydrophobicContact CD2-CD2 4.39Å; W694-L713 HydrophobicContact CE3-CD1 4.04Å; W694-L713 HydrophobicContact CG-CD2 4.36Å; W694-L713 HydrophobicContact CH2-CB 4.08Å; W694-L713 HydrophobicContact CH2-CD1 4.22Å; W694-L713 HydrophobicContact CZ2-CB 3.53Å; W694-L713 HydrophobicContact CZ2-CD1 4.26Å; W694-L713 HydrophobicContact CZ2-CG 4.44Å; W694-L713 HydrophobicContact CZ3-CD1 4.11Å; L697-L713 HydrophobicContact CD1-CD1 3.74Å; L697-L713 HydrophobicContact CD1-CD2 4.18Å; L697-L713 HydrophobicContact CD1-CG 4.23Å; D709-L713 WeakPolarHBondContact O-CG 3.5Å; D709-L713 PolarHBondContact O-N 3.13Å; L710-L713 PolarHBondContact O-N 3.33Å; L713-R715 VanDerWaalsContact C-N 3.28Å; L713-R715 PolarHBondContact O-N 3.29Å; L713-S716 CarbonylContact O-C 3.6Å; L713-S716 PolarHBondContact O-N 3.43Å; L713-S716 VanDerWaalsContact O-N 3.14Å; L713-S716 PolarHBondContact O-OG 3.32Å; L713-S716 VanDerWaalsContact O-OG 3.14Å; L713-G717 PolarHBondContact O-N 2.73Å
714	C	90.9	Very high	84.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-35	177.5	-78.5	0	0	0	0	111.7	L710 G717 D907 V908 L911	L710-C714 WeakPolarHBondContact O-CB 3.4Å; L710-C714 PolarHBondContact O-N 2.63Å; C714-G717 WeakPolarHBondContact O-CA 3.37Å; C714-G717 PolarHBondContact O-N 3.46Å; C714-D907 VanDerWaalsContact CB-O 3.3Å; C714-D907 WeakPolarHBondContact CB-O 3.46Å; C714-D907 PolarHBondContact SG-O 3.27Å; C714-V908 WeakPolarHBondContact O-CG2 3.33Å; C714-L911 HydrophobicContact CB-CD2 3.99Å
715	R	91.9	Very high	86.2	Confident	56 Å²	56	42.7 Å²	42.7	21%	0.211	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-37.6	172.3	-68.9	167.9	-169.8	146.1	-1.8	111.9	E711 L713 G717 R904 V908 E912 I959 F963	E711-R715 WeakPolarHBondContact O-CB 3.39Å; E711-R715 WeakPolarHBondContact O-CD 3.08Å; E711-R715 WeakPolarHBondContact O-CG 3.41Å; E711-R715 PolarHBondContact O-N 3.14Å; E711-R715 IonicContact OE2-CZ 3.39Å; E711-R715 IonicContact OE2-NH1 2.76Å; E711-R715 PolarHBondContact OE2-NH1 2.86Å; E711-R715 IonicContact OE2-NH2 3.86Å; E711-R715 PolarHBondContact OE2-NH2 2.76Å; L713-R715 VanDerWaalsContact C-N 3.28Å; L713-R715 PolarHBondContact O-N 3.29Å; R715-G717 PolarHBondContact O-N 3.23Å; R715-R904 PolarHBondContact O-NH2 2.93Å; R715-V908 HydrophobicContact CG-CG1 4.47Å; R715-V908 HydrophobicContact CG-CG2 4.18Å; R715-E912 IonicContact CZ-OE1 2.92Å; R715-E912 IonicContact CZ-OE2 2.63Å; R715-E912 IonicContact NE-OE1 2.6Å; R715-E912 PolarHBondContact NE-OE1 2.9Å; R715-E912 IonicContact NE-OE2 3.01Å; R715-E912 IonicContact NH2-OE1 2.8Å; R715-E912 PolarHBondContact NH2-OE1 3.32Å; R715-E912 IonicContact NH2-OE2 3.09Å; R715-E912 PolarHBondContact NH2-OE2 2.88Å; R715-I959 HydrophobicContact CB-CG2 4.29Å; R715-I959 WeakPolarHBondContact O-CD1 3.49Å; R715-F963 HydrophobicContact CG-CD2 4.46Å; R715-F963 HydrophobicContact CG-CE2 4.41Å; R715-F963 HydrophobicContact CG-CZ 4.46Å; R715-F963 VanDerWaalsContact NE-CE1 3.35Å
716	S	86.2	Confident	87.3	Confident	38 Å²	38	41.4 Å²	41.4	27%	0.266	22%	0.216	S	C	.	.	H	α-helix	trans	-74.1	-4.6	168.2	59.2	0	0	0	0	114.2	N690 R693 V712 L713 R904	N690-S716 PolarHBondContact ND2-O 3.37Å; N690-S716 VanDerWaalsContact OD1-CB 3.32Å; N690-S716 WeakPolarHBondContact OD1-CB 3.25Å; N690-S716 PolarHBondContact OD1-OG 3.08Å; R693-S716 PolarHBondContact NH1-OG 3.21Å; V712-S716 PolarHBondContact O-N 3.23Å; V712-S716 PolarHBondContact O-OG 2.77Å; L713-S716 CarbonylContact O-C 3.6Å; L713-S716 PolarHBondContact O-N 3.43Å; L713-S716 VanDerWaalsContact O-N 3.14Å; L713-S716 PolarHBondContact O-OG 3.32Å; L713-S716 VanDerWaalsContact O-OG 3.14Å; S716-R904 PolarHBondContact O-NH2 2.91Å
717	G	88.6	Confident	88.1	Confident	3 Å²	3	38 Å²	38	3%	0.031	20%	0.196	C	C	.	.			trans	94.3	149.4	174.3	0	0	0	0	0	113.5	N690 W694 L713 C714 R715	N690-G717 PolarHBondContact ND2-O 2.74Å; W694-G717 PolarHBondContact NE1-O 2.86Å; L713-G717 PolarHBondContact O-N 2.73Å; C714-G717 WeakPolarHBondContact O-CA 3.37Å; C714-G717 PolarHBondContact O-N 3.46Å; R715-G717 PolarHBondContact O-N 3.23Å
718	V	89.9	Confident	88.6	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.03	18%	0.178	C	C	.	.			trans	-92	124	175.4	-173.2	0	0	0	0	109.4	W694 R723 V726 D907	W694-V718 HydrophobicContact CH2-CG2 4.15Å; W694-V718 HydrophobicContact CZ2-CB 4.28Å; W694-V718 HydrophobicContact CZ2-CG1 4.31Å; W694-V718 HydrophobicContact CZ2-CG2 3.69Å; V718-R723 HydrophobicContact CG1-CB 4.12Å; V718-R723 VanDerWaalsContact O-CZ 3.31Å; V718-R723 PolarHBondContact O-NH2 3.01Å; V718-V726 HydrophobicContact CG1-CB 3.97Å; V718-V726 HydrophobicContact CG1-CG1 4.3Å; V718-V726 HydrophobicContact CG1-CG2 3.88Å; V718-V726 HydrophobicContact CG2-CG1 3.98Å; V718-D907 HydrophobicContact CG2-CB 3.87Å; V718-D907 VanDerWaalsContact CG2-CG 3.49Å; V718-D907 WeakPolarHBondContact CG2-OD1 3.27Å; V718-D907 PolarHBondContact N-OD2 2.8Å
719	P	87.1	Confident	88.9	Confident	11 Å²	11	31 Å²	31	7%	0.071	16%	0.157	C	C	.	.			trans	-60.8	142	172.7	-22.4	31.7	0	0	0	111.6	F691 W694 Q721 Y722 R723	F691-P719 HydrophobicContact CB-CG 4.29Å; F691-P719 HydrophobicContact CD2-CB 3.84Å; F691-P719 HydrophobicContact CD2-CG 4.15Å; W694-P719 HydrophobicContact CB-CG 4.23Å; W694-P719 HydrophobicContact CG-CG 4.06Å; P719-Q721 PolarHBondContact O-N 3.13Å; P719-Q721 VanDerWaalsContact O-N 3.09Å; P719-Y722 HydrophobicContact CB-CD2 4.02Å; P719-Y722 HydrophobicContact CG-CD2 4.06Å; P719-Y722 PolarHBondContact O-N 3.14Å; P719-R723 PolarHBondContact O-N 3.32Å; P719-R723 VanDerWaalsContact O-N 3.15Å
720	I	83.2	Confident	89.3	Confident	72 Å²	72	28.6 Å²	28.6	37%	0.369	14%	0.144	S	C	.	.	H	α-helix	trans	-56.2	-34.1	-171.5	-171.9	169.4	0	0	0	113.4	Y656 Y722 R723	Y656-I720 HydrophobicContact CD1-CD1 4.14Å; Y656-I720 HydrophobicContact CE1-CD1 3.47Å; Y656-I720 VanDerWaalsContact CE1-CD1 3.47Å; Y656-I720 HydrophobicContact CE1-CG1 4.33Å; I720-Y722 VanDerWaalsContact C-N 3.26Å; I720-Y722 PolarHBondContact O-N 2.72Å; I720-R723 PolarHBondContact O-N 2.86Å
721	Q	83.2	Confident	89.7	Confident	123 Å²	123	28.3 Å²	28.3	58%	0.575	14%	0.143	S	C	*	.	H	α-helix	trans	-66.5	-25.5	178.6	-54.5	83.4	-6.6	0	0	113.2	P719	P719-Q721 PolarHBondContact O-N 3.13Å; P719-Q721 VanDerWaalsContact O-N 3.09Å
722	Y	87.4	Confident	89.8	Confident	29 Å²	29	28.5 Å²	28.5	11%	0.114	14%	0.143	C	C	.	.	H	α-helix	trans	-101.5	-10.8	179.4	-58.2	-51.6	0	0	0	112.7	I27 F691 W694 T695 L698 P719 I720 E724 G725 V726	I27-Y722 HydrophobicContact CD1-CD1 4.48Å; I27-Y722 HydrophobicContact CD1-CE1 4.32Å; F691-Y722 AromaticContact CD2-CE2 3.9Å; F691-Y722 HydrophobicContact CD2-CE2 3.9Å; F691-Y722 HydrophobicContact CE2-CD2 4.43Å; F691-Y722 AromaticContact CE2-CE2 3.6Å; F691-Y722 HydrophobicContact CE2-CE2 3.6Å; F691-Y722 AromaticContact CE2-CZ 3.99Å; F691-Y722 HydrophobicContact CZ-CE2 4.16Å; W694-Y722 HydrophobicContact CB-CD2 4Å; W694-Y722 HydrophobicContact CB-CE2 4.1Å; T695-Y722 PolarHBondContact OG1-OH 3.37Å; L698-Y722 HydrophobicContact CD1-CD1 3.6Å; L698-Y722 HydrophobicContact CD1-CD2 4.07Å; L698-Y722 HydrophobicContact CD1-CE1 3.89Å; L698-Y722 HydrophobicContact CD1-CE2 4.32Å; L698-Y722 HydrophobicContact CD1-CG 3.71Å; P719-Y722 HydrophobicContact CB-CD2 4.02Å; P719-Y722 HydrophobicContact CG-CD2 4.06Å; P719-Y722 PolarHBondContact O-N 3.14Å; I720-Y722 VanDerWaalsContact C-N 3.26Å; I720-Y722 PolarHBondContact O-N 2.72Å; Y722-E724 PolarHBondContact O-N 2.69Å; Y722-G725 PolarHBondContact O-N 2.89Å; Y722-G725 VanDerWaalsContact O-N 3.12Å; Y722-V726 WeakPolarHBondContact O-CG2 3.35Å; Y722-V726 PolarHBondContact O-N 2.92Å
723	R	92.1	Very high	89.8	Confident	8 Å²	8	26.8 Å²	26.8	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-42.1	-171.1	-168.9	173.4	-82	125.8	-4.7	114.2	V718 P719 I720 G725 W727 F822 D907	V718-R723 HydrophobicContact CG1-CB 4.12Å; V718-R723 VanDerWaalsContact O-CZ 3.31Å; V718-R723 PolarHBondContact O-NH2 3.01Å; P719-R723 PolarHBondContact O-N 3.32Å; P719-R723 VanDerWaalsContact O-N 3.15Å; I720-R723 PolarHBondContact O-N 2.86Å; R723-G725 VanDerWaalsContact C-N 3.33Å; R723-G725 PolarHBondContact O-N 3.31Å; R723-W727 HydrophobicContact CG-CD2 3.92Å; R723-W727 HydrophobicContact CG-CG 4.03Å; R723-W727 HydrophobicContact CG-CZ2 4.1Å; R723-W727 VanDerWaalsContact O-CB 3.31Å; R723-W727 WeakPolarHBondContact O-CB 3.48Å; R723-W727 PolarHBondContact O-N 3.42Å; R723-F822 HydrophobicContact CB-CD1 4.49Å; R723-F822 HydrophobicContact CG-CD1 4.21Å; R723-F822 HydrophobicContact CG-CG 4.39Å; R723-D907 IonicContact CZ-OD1 3Å; R723-D907 IonicContact CZ-OD2 2.73Å; R723-D907 IonicContact NE-OD1 2.86Å; R723-D907 PolarHBondContact NE-OD1 3.48Å; R723-D907 IonicContact NE-OD2 3.19Å; R723-D907 IonicContact NH2-OD1 2.61Å; R723-D907 IonicContact NH2-OD2 2.7Å; R723-D907 PolarHBondContact NH2-OD2 3.19Å
724	E	92.8	Very high	89.9	Confident	64 Å²	64	31.5 Å²	31.5	30%	0.299	16%	0.163	S	C	.	.	H	α-helix	trans	-55.5	-50.2	172.6	177.5	179.1	179	0	0	110.3	Y722 R728 F822 L823 R824	Y722-E724 PolarHBondContact O-N 2.69Å; E724-R728 WeakPolarHBondContact O-CB 3.26Å; E724-R728 PolarHBondContact O-N 2.6Å; E724-R728 IonicContact OE1-CZ 2.72Å; E724-R728 IonicContact OE1-NE 2.91Å; E724-R728 IonicContact OE1-NH2 3.57Å; E724-R728 PolarHBondContact OE1-NH2 3.34Å; E724-F822 VanDerWaalsContact CB-O 3.27Å; E724-F822 WeakPolarHBondContact CB-O 3.44Å; E724-F822 WeakPolarHBondContact CG-O 3.44Å; E724-L823 HydrophobicContact CG-CD2 4.35Å; E724-R824 IonicContact OE1-CZ 2.79Å; E724-R824 IonicContact OE1-NE 3.86Å; E724-R824 PolarHBondContact OE1-NE 2.96Å; E724-R824 IonicContact OE1-NH2 3.19Å; E724-R824 PolarHBondContact OE1-NH2 3.1Å
725	G	89.4	Confident	90	Very high	7 Å²	7	31.6 Å²	31.6	7%	0.072	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-46.3	-176.9	0	0	0	0	0	113.1	Y722 R723 M729	Y722-G725 PolarHBondContact O-N 2.89Å; Y722-G725 VanDerWaalsContact O-N 3.12Å; R723-G725 VanDerWaalsContact C-N 3.33Å; R723-G725 PolarHBondContact O-N 3.31Å; G725-M729 WeakPolarHBondContact O-CB 2.91Å; G725-M729 PolarHBondContact O-N 3.22Å
726	V	91.3	Very high	89.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-47.8	-179.9	174.3	0	0	0	0	111.4	F31 W694 V718 Y722 M729 L730	F31-V726 HydrophobicContact CE1-CG2 4.1Å; F31-V726 HydrophobicContact CE2-CG2 4.1Å; F31-V726 HydrophobicContact CZ-CG2 3.45Å; F31-V726 VanDerWaalsContact CZ-CG2 3.45Å; W694-V726 HydrophobicContact CE3-CG2 4.27Å; W694-V726 HydrophobicContact CH2-CG1 3.92Å; W694-V726 HydrophobicContact CH2-CG2 3.78Å; W694-V726 HydrophobicContact CZ3-CG1 4.41Å; W694-V726 HydrophobicContact CZ3-CG2 3.51Å; V718-V726 HydrophobicContact CG1-CB 3.97Å; V718-V726 HydrophobicContact CG1-CG1 4.3Å; V718-V726 HydrophobicContact CG1-CG2 3.88Å; V718-V726 HydrophobicContact CG2-CG1 3.98Å; Y722-V726 WeakPolarHBondContact O-CG2 3.35Å; Y722-V726 PolarHBondContact O-N 2.92Å; V726-M729 HydrophobicContact CG1-CE 4.31Å; V726-M729 WeakPolarHBondContact O-CB 3.16Å; V726-M729 PolarHBondContact O-N 2.79Å; V726-L730 HydrophobicContact CG1-CD1 4.06Å; V726-L730 HydrophobicContact CG1-CG 4.45Å; V726-L730 VanDerWaalsContact O-CG 3.31Å; V726-L730 WeakPolarHBondContact O-CG 2.89Å; V726-L730 PolarHBondContact O-N 3.39Å
727	W	95	Very high	90.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-47.7	179.3	-74.4	19.3	0	0	0	110.6	R723 M729 L730 I731 V818 F822 L823 I903 W906 D907 L910	R723-W727 HydrophobicContact CG-CD2 3.92Å; R723-W727 HydrophobicContact CG-CG 4.03Å; R723-W727 HydrophobicContact CG-CZ2 4.1Å; R723-W727 VanDerWaalsContact O-CB 3.31Å; R723-W727 WeakPolarHBondContact O-CB 3.48Å; R723-W727 PolarHBondContact O-N 3.42Å; W727-M729 VanDerWaalsContact C-N 3.34Å; W727-M729 PolarHBondContact O-N 2.98Å; W727-L730 PolarHBondContact O-N 3.48Å; W727-I731 HydrophobicContact CB-CD1 4.45Å; W727-I731 WeakPolarHBondContact O-CB 3.25Å; W727-I731 VanDerWaalsContact O-CD1 3.23Å; W727-I731 WeakPolarHBondContact O-CD1 3.45Å; W727-I731 VanDerWaalsContact O-CG1 3.24Å; W727-I731 WeakPolarHBondContact O-CG1 3.49Å; W727-I731 PolarHBondContact O-N 3.02Å; W727-V818 HydrophobicContact CH2-CG1 4.33Å; W727-V818 HydrophobicContact CZ3-CG1 4.42Å; W727-F822 HydrophobicContact CE3-CB 4.1Å; W727-F822 HydrophobicContact CE3-CD2 4.18Å; W727-F822 HydrophobicContact CE3-CG 4.43Å; W727-F822 AromaticContact CH2-CD2 3.65Å; W727-F822 HydrophobicContact CH2-CD2 3.65Å; W727-F822 AromaticContact CH2-CE2 3.94Å; W727-F822 HydrophobicContact CH2-CE2 3.94Å; W727-F822 HydrophobicContact CH2-CG 4.49Å; W727-F822 HydrophobicContact CZ2-CD2 4.49Å; W727-F822 HydrophobicContact CZ3-CB 4.22Å; W727-F822 AromaticContact CZ3-CD2 3.47Å; W727-F822 HydrophobicContact CZ3-CD2 3.47Å; W727-F822 VanDerWaalsContact CZ3-CD2 3.47Å; W727-F822 HydrophobicContact CZ3-CE2 4.21Å; W727-F822 HydrophobicContact CZ3-CG 4.15Å; W727-L823 HydrophobicContact CB-CD2 4.16Å; W727-I903 HydrophobicContact CZ2-CB 4.49Å; W727-W906 HydrophobicContact CE3-CE3 4.21Å; W727-W906 HydrophobicContact CH2-CB 3.66Å; W727-W906 HydrophobicContact CH2-CD2 4.02Å; W727-W906 AromaticContact CH2-CE3 3.61Å; W727-W906 HydrophobicContact CH2-CE3 3.61Å; W727-W906 HydrophobicContact CH2-CG 4.08Å; W727-W906 HydrophobicContact CZ2-CB 3.48Å; W727-W906 VanDerWaalsContact CZ2-CB 3.48Å; W727-W906 HydrophobicContact CZ2-CE3 4.37Å; W727-W906 HydrophobicContact CZ2-CG 4.39Å; W727-W906 HydrophobicContact CZ3-CD2 4.36Å; W727-W906 AromaticContact CZ3-CE3 3.5Å; W727-W906 HydrophobicContact CZ3-CE3 3.5Å; W727-W906 HydrophobicContact CZ3-CZ3 4.05Å; W727-D907 PolarHBondContact NE1-OD1 2.97Å; W727-L910 HydrophobicContact CB-CD1 3.97Å; W727-L910 HydrophobicContact CD2-CD1 3.44Å; W727-L910 VanDerWaalsContact CD2-CD1 3.44Å; W727-L910 HydrophobicContact CE3-CD1 3.86Å; W727-L910 HydrophobicContact CG-CD1 3.5Å; W727-L910 VanDerWaalsContact CG-CD1 3.5Å
728	R	93.2	Very high	90.2	Very high	31 Å²	31	38.9 Å²	38.9	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-51	-51.3	172.4	175.9	-165.4	-67.6	-75.7	-11	111.3	E724 L730 I731 H732 L823 D827	E724-R728 WeakPolarHBondContact O-CB 3.26Å; E724-R728 PolarHBondContact O-N 2.6Å; E724-R728 IonicContact OE1-CZ 2.72Å; E724-R728 IonicContact OE1-NE 2.91Å; E724-R728 IonicContact OE1-NH2 3.57Å; E724-R728 PolarHBondContact OE1-NH2 3.34Å; R728-L730 PolarHBondContact O-N 2.94Å; R728-I731 PolarHBondContact O-N 3.06Å; R728-H732 VanDerWaalsContact O-CB 3.24Å; R728-H732 WeakPolarHBondContact O-CB 3.41Å; R728-H732 PolarHBondContact O-CD2 2.43Å; R728-H732 PolarHBondContact O-N 2.96Å; R728-L823 HydrophobicContact CB-CD2 4.17Å; R728-D827 VanDerWaalsContact CZ-CG 3.5Å; R728-D827 IonicContact CZ-OD1 2.75Å; R728-D827 IonicContact CZ-OD2 3.71Å; R728-D827 IonicContact NH1-OD1 3.93Å; R728-D827 PolarHBondContact NH1-OD1 2.79Å; R728-D827 IonicContact NH1-OD2 2.66Å; R728-D827 PolarHBondContact NH1-OD2 2.93Å; R728-D827 IonicContact NH2-OD1 3.38Å; R728-D827 IonicContact NH2-OD2 2.66Å; R728-D827 PolarHBondContact NH2-OD2 3.02Å
729	M	88.4	Confident	90.3	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.059	20%	0.203	C	C	.	.	H	α-helix	trans	-58.6	-45.5	179.6	173.7	-158.9	77.3	0	0	112.6	F31 F35 L710 G725 V726 W727 G733	F31-M729 HydrophobicContact CB-CB 4.24Å; F31-M729 HydrophobicContact CB-CG 4.33Å; F31-M729 HydrophobicContact CB-SD 4.35Å; F31-M729 HydrophobicContact CD1-CB 4.48Å; F31-M729 HydrophobicContact CD1-CG 4.27Å; F31-M729 HydrophobicContact CD1-SD 3.26Å; F31-M729 WeakPolarHBondContact CD1-SD 3.34Å; F31-M729 HydrophobicContact CE1-SD 3.67Å; F31-M729 HydrophobicContact CG-CB 4.42Å; F31-M729 HydrophobicContact CG-SD 4.07Å; F35-M729 HydrophobicContact CD1-CG 4.24Å; F35-M729 HydrophobicContact CD2-CG 3.74Å; F35-M729 HydrophobicContact CD2-SD 3.54Å; F35-M729 VanDerWaalsContact CD2-SD 3.54Å; F35-M729 HydrophobicContact CE1-CG 4.34Å; F35-M729 HydrophobicContact CE2-CE 3.83Å; F35-M729 HydrophobicContact CE2-CG 3.88Å; F35-M729 HydrophobicContact CE2-SD 3.27Å; F35-M729 WeakPolarHBondContact CE2-SD 3.21Å; F35-M729 HydrophobicContact CG-CG 3.95Å; F35-M729 HydrophobicContact CG-SD 4.34Å; F35-M729 HydrophobicContact CZ-CE 3.89Å; F35-M729 HydrophobicContact CZ-CG 4.17Å; F35-M729 HydrophobicContact CZ-SD 3.87Å; L710-M729 HydrophobicContact CD2-CE 4.28Å; G725-M729 WeakPolarHBondContact O-CB 2.91Å; G725-M729 PolarHBondContact O-N 3.22Å; V726-M729 HydrophobicContact CG1-CE 4.31Å; V726-M729 WeakPolarHBondContact O-CB 3.16Å; V726-M729 PolarHBondContact O-N 2.79Å; W727-M729 VanDerWaalsContact C-N 3.34Å; W727-M729 PolarHBondContact O-N 2.98Å; M729-G733 PolarHBondContact O-N 2.77Å
730	L	92.6	Very high	90.3	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-48.3	178.6	-68.2	171.3	0	0	0	111.4	V726 W727 R728 G733 E734 L910 L911	V726-L730 HydrophobicContact CG1-CD1 4.06Å; V726-L730 HydrophobicContact CG1-CG 4.45Å; V726-L730 VanDerWaalsContact O-CG 3.31Å; V726-L730 WeakPolarHBondContact O-CG 2.89Å; V726-L730 PolarHBondContact O-N 3.39Å; W727-L730 PolarHBondContact O-N 3.48Å; R728-L730 PolarHBondContact O-N 2.94Å; L730-G733 PolarHBondContact O-N 3.37Å; L730-E734 PolarHBondContact O-N 2.87Å; L730-L910 HydrophobicContact CD1-CB 4Å; L730-L911 HydrophobicContact CD1-CB 4.15Å; L730-L911 HydrophobicContact CD2-CB 4.14Å; L730-L911 HydrophobicContact CD2-CD1 3.74Å; L730-L911 HydrophobicContact CD2-CG 4.46Å
731	I	94.4	Very high	90.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-48.4	-178.9	-66.8	158	0	0	0	111.3	W727 R728 G733 E734 L735 L823 W830 C831 A834 L910	W727-I731 HydrophobicContact CB-CD1 4.45Å; W727-I731 WeakPolarHBondContact O-CB 3.25Å; W727-I731 VanDerWaalsContact O-CD1 3.23Å; W727-I731 WeakPolarHBondContact O-CD1 3.45Å; W727-I731 VanDerWaalsContact O-CG1 3.24Å; W727-I731 WeakPolarHBondContact O-CG1 3.49Å; W727-I731 PolarHBondContact O-N 3.02Å; R728-I731 PolarHBondContact O-N 3.06Å; I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 2.84Å; I731-E734 PolarHBondContact O-N 2.75Å; I731-L735 HydrophobicContact CG2-CD1 4.42Å; I731-L735 WeakPolarHBondContact O-CB 3.23Å; I731-L735 PolarHBondContact O-N 3.16Å; I731-L823 HydrophobicContact CD1-CD1 3.61Å; I731-W830 HydrophobicContact CG2-CB 4.1Å; I731-C831 HydrophobicContact CD1-CB 3.6Å; I731-C831 WeakPolarHBondContact CD1-SG 3.25Å; I731-C831 HydrophobicContact CG1-CB 4.47Å; I731-A834 HydrophobicContact CG2-CB 4.11Å; I731-L910 HydrophobicContact CD1-CD1 4.49Å; I731-L910 HydrophobicContact CG1-CD2 4.43Å
732	H	92.2	Very high	91	Very high	46 Å²	46	48 Å²	48	21%	0.213	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-31.3	177.7	-74.8	-143.3	0	0	0	111.4	R728 H736 M739 D827	R728-H732 VanDerWaalsContact O-CB 3.24Å; R728-H732 WeakPolarHBondContact O-CB 3.41Å; R728-H732 PolarHBondContact O-CD2 2.43Å; R728-H732 PolarHBondContact O-N 2.96Å; H732-H736 VanDerWaalsContact O-CA 3.29Å; H732-H736 WeakPolarHBondContact O-CA 3.26Å; H732-H736 WeakPolarHBondContact O-CB 3.4Å; H732-H736 PolarHBondContact O-N 3.44Å; H732-M739 HydrophobicContact CB-SD 4.38Å; H732-D827 IonicContact CE1-OD1 2.86Å; H732-D827 PolarHBondContact CE1-OD1 3Å; H732-D827 IonicContact NE2-OD1 2.63Å; H732-D827 PolarHBondContact NE2-OD1 2.91Å
733	G	88.1	Confident	90.8	Very high	41 Å²	41	47.6 Å²	47.6	42%	0.423	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-49.7	173.6	0	0	0	0	0	112.4	M729 L730 I731	M729-G733 PolarHBondContact O-N 2.77Å; L730-G733 PolarHBondContact O-N 3.37Å; I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 2.84Å
734	E	90.4	Very high	90.4	Very high	100 Å²	100	52.6 Å²	52.6	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-38.2	178.3	-168	65.7	-154.3	0	0	112.2	L730 I731 R838 F839	L730-E734 PolarHBondContact O-N 2.87Å; I731-E734 PolarHBondContact O-N 2.75Å; E734-R838 HydrophobicContact CG-CB 3.88Å; E734-R838 HydrophobicContact CG-CG 4Å; E734-F839 HydrophobicContact CB-CE1 4.38Å; E734-F839 HydrophobicContact CB-CZ 4.44Å; E734-F839 HydrophobicContact CG-CE1 3.8Å; E734-F839 HydrophobicContact CG-CZ 4.3Å
735	L	93.4	Very high	90.1	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-94.5	0.3	-177	-65.1	-173.7	0	0	0	115.6	I731 Q737 L738 M739 W830 I833 A834 R838	I731-L735 HydrophobicContact CG2-CD1 4.42Å; I731-L735 WeakPolarHBondContact O-CB 3.23Å; I731-L735 PolarHBondContact O-N 3.16Å; L735-Q737 PolarHBondContact O-N 2.86Å; L735-L738 HydrophobicContact CD2-CD2 4.21Å; L735-L738 WeakPolarHBondContact O-CA 3.43Å; L735-L738 PolarHBondContact O-N 2.94Å; L735-M739 HydrophobicContact CB-CG 4Å; L735-M739 HydrophobicContact CB-SD 3.89Å; L735-M739 WeakPolarHBondContact O-CG 3.48Å; L735-M739 PolarHBondContact O-N 3.27Å; L735-W830 HydrophobicContact CD1-CB 4.24Å; L735-W830 HydrophobicContact CD1-CE3 3.93Å; L735-W830 WeakPolarHBondContact CD1-O 3.29Å; L735-I833 HydrophobicContact CD1-CB 4Å; L735-I833 HydrophobicContact CD1-CG2 3.83Å; L735-I833 HydrophobicContact CD2-CG2 4.12Å; L735-A834 HydrophobicContact CD1-CB 3.91Å; L735-A834 HydrophobicContact CD2-CB 4.47Å; L735-A834 HydrophobicContact CG-CB 4.04Å; L735-R838 HydrophobicContact CD2-CG 3.57Å
736	H	89.5	Confident	90.2	Very high	70 Å²	70	57.3 Å²	57.3	32%	0.324	30%	0.298	S	S	.	.	H	α-helix	trans	-44.4	-44.9	-173.9	174.3	-70.1	0	0	0	113.7	H732 Q740	H732-H736 VanDerWaalsContact O-CA 3.29Å; H732-H736 WeakPolarHBondContact O-CA 3.26Å; H732-H736 WeakPolarHBondContact O-CB 3.4Å; H732-H736 PolarHBondContact O-N 3.44Å; H736-Q740 PolarHBondContact CE1-NE2 3.42Å; H736-Q740 PolarHBondContact CE1-OE1 3.24Å; H736-Q740 PolarHBondContact NE2-NE2 2.83Å; H736-Q740 WeakPolarHBondContact O-CB 3.37Å; H736-Q740 WeakPolarHBondContact O-CG 3.49Å; H736-Q740 PolarHBondContact O-N 2.87Å; H736-Q740 VanDerWaalsContact O-N 3.08Å
737	Q	89.7	Confident	90.3	Very high	154 Å²	154	57.3 Å²	57.3	72%	0.72	30%	0.298	S	S	*	.	H	α-helix	trans	-67.7	-44.2	179.4	-61.1	-175.6	14.8	0	0	112.4	L735 Q740 I741	L735-Q737 PolarHBondContact O-N 2.86Å; Q737-Q740 PolarHBondContact O-N 3.4Å; Q737-I741 WeakPolarHBondContact O-CD1 3.32Å; Q737-I741 VanDerWaalsContact O-CG1 3.26Å; Q737-I741 WeakPolarHBondContact O-CG1 3.34Å; Q737-I741 PolarHBondContact O-N 2.68Å
738	L	91.3	Very high	90	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-43.3	178.8	-177.8	64.9	0	0	0	111.1	L735 Q740 I741 K742 W830 I833	L735-L738 HydrophobicContact CD2-CD2 4.21Å; L735-L738 WeakPolarHBondContact O-CA 3.43Å; L735-L738 PolarHBondContact O-N 2.94Å; L738-Q740 VanDerWaalsContact C-N 3.34Å; L738-Q740 PolarHBondContact O-N 2.99Å; L738-I741 PolarHBondContact O-N 3.21Å; L738-K742 HydrophobicContact CD1-CG 4.08Å; L738-K742 HydrophobicContact CG-CG 4.36Å; L738-K742 WeakPolarHBondContact O-CB 3.49Å; L738-K742 VanDerWaalsContact O-CG 3.31Å; L738-K742 WeakPolarHBondContact O-CG 3.27Å; L738-K742 PolarHBondContact O-N 3.15Å; L738-W830 HydrophobicContact CD2-CZ3 4.28Å; L738-W830 HydrophobicContact CG-CZ3 4.37Å; L738-I833 HydrophobicContact CD2-CG2 3.85Å
739	M	91.3	Very high	89.7	Confident	37 Å²	37	60.4 Å²	60.4	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-39.3	177.8	-64.7	173.6	74	0	0	111.6	H732 L735 G743 W830	H732-M739 HydrophobicContact CB-SD 4.38Å; L735-M739 HydrophobicContact CB-CG 4Å; L735-M739 HydrophobicContact CB-SD 3.89Å; L735-M739 WeakPolarHBondContact O-CG 3.48Å; L735-M739 PolarHBondContact O-N 3.27Å; M739-G743 PolarHBondContact O-N 3.11Å; M739-W830 HydrophobicContact CB-CH2 4.45Å; M739-W830 HydrophobicContact CE-CD2 4.16Å; M739-W830 HydrophobicContact CE-CG 4.07Å; M739-W830 HydrophobicContact CG-CD2 3.89Å; M739-W830 HydrophobicContact CG-CE3 3.81Å; M739-W830 HydrophobicContact CG-CH2 3.9Å; M739-W830 HydrophobicContact CG-CZ2 4Å; M739-W830 HydrophobicContact CG-CZ3 3.81Å; M739-W830 HydrophobicContact SD-CD2 4.26Å; M739-W830 HydrophobicContact SD-CG 4.39Å
740	Q	87.3	Confident	89.8	Confident	139 Å²	139	60.1 Å²	60.1	65%	0.65	32%	0.323	S	S	*	.	H	α-helix	trans	-67.7	-37.4	174.2	-76.6	-171.3	-19.4	0	0	113.5	H736 Q737 L738	H736-Q740 PolarHBondContact CE1-NE2 3.42Å; H736-Q740 PolarHBondContact CE1-OE1 3.24Å; H736-Q740 PolarHBondContact NE2-NE2 2.83Å; H736-Q740 WeakPolarHBondContact O-CB 3.37Å; H736-Q740 WeakPolarHBondContact O-CG 3.49Å; H736-Q740 PolarHBondContact O-N 2.87Å; H736-Q740 VanDerWaalsContact O-N 3.08Å; Q737-Q740 PolarHBondContact O-N 3.4Å; L738-Q740 VanDerWaalsContact C-N 3.34Å; L738-Q740 PolarHBondContact O-N 2.99Å
741	I	91.7	Very high	89.6	Confident	139 Å²	139	61 Å²	61	71%	0.713	33%	0.328	S	S	*	.	H	α-helix	trans	-70	-36.2	177.5	-69.3	165.1	0	0	0	111.5	Q737 L738	Q737-I741 WeakPolarHBondContact O-CD1 3.32Å; Q737-I741 VanDerWaalsContact O-CG1 3.26Å; Q737-I741 WeakPolarHBondContact O-CG1 3.34Å; Q737-I741 PolarHBondContact O-N 2.68Å; L738-I741 PolarHBondContact O-N 3.21Å
742	K	89.7	Confident	89.2	Confident	86 Å²	86	67.5 Å²	67.5	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-85.8	-29.2	-177.6	-67.7	-63.8	-168.8	165.5	0	114	L738 Y746 W830	L738-K742 HydrophobicContact CD1-CG 4.08Å; L738-K742 HydrophobicContact CG-CG 4.36Å; L738-K742 WeakPolarHBondContact O-CB 3.49Å; L738-K742 VanDerWaalsContact O-CG 3.31Å; L738-K742 WeakPolarHBondContact O-CG 3.27Å; L738-K742 PolarHBondContact O-N 3.15Å; K742-Y746 HydrophobicContact CB-CD1 3.6Å; K742-Y746 HydrophobicContact CB-CD2 4.27Å; K742-Y746 HydrophobicContact CB-CE1 4.08Å; K742-Y746 HydrophobicContact CB-CG 3.69Å; K742-Y746 HydrophobicContact CD-CD1 4.1Å; K742-Y746 HydrophobicContact CD-CD2 4.18Å; K742-Y746 HydrophobicContact CD-CE1 3.71Å; K742-Y746 HydrophobicContact CD-CE2 3.86Å; K742-Y746 HydrophobicContact CD-CG 4.31Å; K742-Y746 HydrophobicContact CG-CD1 3.83Å; K742-Y746 HydrophobicContact CG-CE1 3.76Å; K742-Y746 HydrophobicContact CG-CG 4.27Å; K742-Y746 PolarHBondContact NZ-OH 3.04Å; K742-Y746 VanDerWaalsContact NZ-OH 3.12Å; K742-W830 HydrophobicContact CB-CH2 4.19Å
743	G	83.2	Confident	88.8	Confident	21 Å²	21	69.4 Å²	69.4	22%	0.216	37%	0.367	C	S	.	.			trans	82.1	166.2	177.2	0	0	0	0	0	115.1	M739 L745 Y746	M739-G743 PolarHBondContact O-N 3.11Å; G743-L745 VanDerWaalsContact C-N 3.3Å; G743-L745 PolarHBondContact O-N 3.41Å; G743-Y746 WeakPolarHBondContact O-CB 3.33Å; G743-Y746 PolarHBondContact O-N 3.27Å
744	P	83.6	Confident	88.4	Confident	113 Å²	113	67.6 Å²	67.6	73%	0.734	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.9	-165.5	32.6	-38.3	0	0	0	115.5
745	L	85.6	Confident	87.5	Confident	128 Å²	128	66.5 Å²	66.5	67%	0.67	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	1.4	175.9	-65.1	177.1	0	0	0	112.7	G743 Y747 N748 G749	G743-L745 VanDerWaalsContact C-N 3.3Å; G743-L745 PolarHBondContact O-N 3.41Å; L745-Y747 PolarHBondContact O-N 3.01Å; L745-N748 PolarHBondContact O-N 3.04Å; L745-N748 VanDerWaalsContact O-N 3.13Å; L745-G749 PolarHBondContact O-N 3.23Å; L745-G749 VanDerWaalsContact O-N 3.09Å
746	Y	92.4	Very high	86.4	Confident	42 Å²	42	74.4 Å²	74.4	17%	0.165	39%	0.388	C	S	.	.	H	α-helix	trans	-59.9	-42.2	-168.5	-176.7	-127.2	0	0	0	113.8	K742 G743 N748 G749 L750 H802 F829 W830	K742-Y746 HydrophobicContact CB-CD1 3.6Å; K742-Y746 HydrophobicContact CB-CD2 4.27Å; K742-Y746 HydrophobicContact CB-CE1 4.08Å; K742-Y746 HydrophobicContact CB-CG 3.69Å; K742-Y746 HydrophobicContact CD-CD1 4.1Å; K742-Y746 HydrophobicContact CD-CD2 4.18Å; K742-Y746 HydrophobicContact CD-CE1 3.71Å; K742-Y746 HydrophobicContact CD-CE2 3.86Å; K742-Y746 HydrophobicContact CD-CG 4.31Å; K742-Y746 HydrophobicContact CG-CD1 3.83Å; K742-Y746 HydrophobicContact CG-CE1 3.76Å; K742-Y746 HydrophobicContact CG-CG 4.27Å; K742-Y746 PolarHBondContact NZ-OH 3.04Å; K742-Y746 VanDerWaalsContact NZ-OH 3.12Å; G743-Y746 WeakPolarHBondContact O-CB 3.33Å; G743-Y746 PolarHBondContact O-N 3.27Å; Y746-N748 VanDerWaalsContact C-N 3.33Å; Y746-N748 PolarHBondContact O-N 2.88Å; Y746-G749 PolarHBondContact O-N 3.41Å; Y746-L750 HydrophobicContact CD1-CD1 4.04Å; Y746-L750 HydrophobicContact CD2-CD1 4.42Å; Y746-L750 HydrophobicContact CD2-CG 4.34Å; Y746-L750 HydrophobicContact CE1-CD1 3.69Å; Y746-L750 HydrophobicContact CE2-CD1 4.05Å; Y746-L750 HydrophobicContact CE2-CD2 3.99Å; Y746-L750 HydrophobicContact CE2-CG 3.96Å; Y746-L750 HydrophobicContact CG-CD1 4.4Å; Y746-L750 WeakPolarHBondContact O-CG 3.46Å; Y746-L750 PolarHBondContact O-N 3.02Å; Y746-L750 VanDerWaalsContact O-N 3.11Å; Y746-H802 AromaticContact CE1-CE1 3.78Å; Y746-H802 AromaticContact CE1-ND1 3.35Å; Y746-H802 VanDerWaalsContact CE1-ND1 3.35Å; Y746-H802 WeakPolarHBondContact CE1-ND1 3.37Å; Y746-H802 AromaticContact CZ-ND1 3.54Å; Y746-H802 PolarHBondContact OH-ND1 3.01Å; Y746-F829 HydrophobicContact CE1-CZ 4.45Å; Y746-W830 AromaticContact CD1-CH2 3.78Å; Y746-W830 HydrophobicContact CD1-CH2 3.78Å; Y746-W830 HydrophobicContact CD1-CZ2 4.23Å; Y746-W830 HydrophobicContact CE1-CH2 4.44Å
747	Y	92.5	Very high	85.4	Confident	1 Å²	1	73.2 Å²	73.2	0%	0.004	38%	0.384	C	S	.	.	H	α-helix	trans	-60.4	-40.9	177.6	173.5	-111.1	0	0	0	112.6	L745 L750 L751 E794 A798 K825 E826 F829	L745-Y747 PolarHBondContact O-N 3.01Å; Y747-L750 PolarHBondContact O-N 2.97Å; Y747-L751 HydrophobicContact CD1-CD1 4.45Å; Y747-L751 HydrophobicContact CE1-CD1 3.89Å; Y747-L751 PolarHBondContact O-N 2.92Å; Y747-E794 WeakPolarHBondContact OH-CB 3.39Å; Y747-A798 HydrophobicContact CD2-CB 3.75Å; Y747-A798 HydrophobicContact CE2-CB 3.59Å; Y747-K825 HydrophobicContact CE1-CD 3.96Å; Y747-K825 HydrophobicContact CE1-CG 3.94Å; Y747-E826 HydrophobicContact CD1-CB 3.88Å; Y747-E826 HydrophobicContact CD1-CG 4.17Å; Y747-E826 HydrophobicContact CE1-CB 4.32Å; Y747-E826 HydrophobicContact CG-CB 4.24Å; Y747-E826 HydrophobicContact CG-CG 4.12Å; Y747-F829 HydrophobicContact CD2-CB 3.72Å; Y747-F829 AromaticContact CD2-CD1 3.55Å; Y747-F829 HydrophobicContact CD2-CD1 3.55Å; Y747-F829 AromaticContact CD2-CD2 3.84Å; Y747-F829 HydrophobicContact CD2-CD2 3.84Å; Y747-F829 HydrophobicContact CD2-CE1 4.05Å; Y747-F829 HydrophobicContact CD2-CE2 4.31Å; Y747-F829 AromaticContact CD2-CG 3.42Å; Y747-F829 HydrophobicContact CD2-CG 3.42Å; Y747-F829 VanDerWaalsContact CD2-CG 3.42Å; Y747-F829 HydrophobicContact CD2-CZ 4.4Å; Y747-F829 HydrophobicContact CE2-CB 3.67Å; Y747-F829 HydrophobicContact CE2-CD1 4.37Å; Y747-F829 HydrophobicContact CE2-CD2 4.09Å; Y747-F829 AromaticContact CE2-CG 3.8Å; Y747-F829 HydrophobicContact CE2-CG 3.8Å; Y747-F829 HydrophobicContact CG-CD1 4.19Å; Y747-F829 HydrophobicContact CG-CG 4.44Å
748	N	88.9	Confident	84.2	Confident	61 Å²	61	71.8 Å²	71.8	33%	0.326	39%	0.386	S	S	.	.	H	α-helix	trans	-70.7	-42.6	179.4	-61.6	-35.7	0	0	0	111.4	L745 Y746 L750 L751 E752	L745-N748 PolarHBondContact O-N 3.04Å; L745-N748 VanDerWaalsContact O-N 3.13Å; Y746-N748 VanDerWaalsContact C-N 3.33Å; Y746-N748 PolarHBondContact O-N 2.88Å; N748-L750 VanDerWaalsContact C-N 3.26Å; N748-L750 PolarHBondContact O-N 2.9Å; N748-L751 WeakPolarHBondContact O-CB 3.33Å; N748-L751 PolarHBondContact O-N 3.34Å; N748-E752 PolarHBondContact O-N 3.48Å
749	G	86.9	Confident	82.6	Confident	34 Å²	34	76.2 Å²	76.2	35%	0.351	41%	0.41	S	S	.	.	H	α-helix	trans	-60.4	-33.4	176.1	0	0	0	0	0	113.5	L745 Y746 E752 E753	L745-G749 PolarHBondContact O-N 3.23Å; L745-G749 VanDerWaalsContact O-N 3.09Å; Y746-G749 PolarHBondContact O-N 3.41Å; G749-E752 PolarHBondContact O-N 3.19Å; G749-E753 WeakPolarHBondContact O-CB 3.47Å; G749-E753 PolarHBondContact O-N 2.58Å
750	L	91	Very high	81.2	Confident	6 Å²	6	74.5 Å²	74.5	3%	0.031	40%	0.401	C	S	.	.	H	α-helix	trans	-69.3	-29.3	173.6	-68.9	168.8	0	0	0	113.4	Y746 Y747 N748 F754 A798 I801 H802 F829	Y746-L750 HydrophobicContact CD1-CD1 4.04Å; Y746-L750 HydrophobicContact CD2-CD1 4.42Å; Y746-L750 HydrophobicContact CD2-CG 4.34Å; Y746-L750 HydrophobicContact CE1-CD1 3.69Å; Y746-L750 HydrophobicContact CE2-CD1 4.05Å; Y746-L750 HydrophobicContact CE2-CD2 3.99Å; Y746-L750 HydrophobicContact CE2-CG 3.96Å; Y746-L750 HydrophobicContact CG-CD1 4.4Å; Y746-L750 WeakPolarHBondContact O-CG 3.46Å; Y746-L750 PolarHBondContact O-N 3.02Å; Y746-L750 VanDerWaalsContact O-N 3.11Å; Y747-L750 PolarHBondContact O-N 2.97Å; N748-L750 VanDerWaalsContact C-N 3.26Å; N748-L750 PolarHBondContact O-N 2.9Å; L750-F754 VanDerWaalsContact O-CB 3.31Å; L750-F754 WeakPolarHBondContact O-CB 3.5Å; L750-F754 PolarHBondContact O-N 3.16Å; L750-A798 HydrophobicContact CB-CB 4.04Å; L750-I801 HydrophobicContact CD2-CB 3.92Å; L750-I801 HydrophobicContact CD2-CG2 3.56Å; L750-H802 HydrophobicContact CD1-CB 4.05Å; L750-F829 HydrophobicContact CD1-CE1 4.37Å; L750-F829 HydrophobicContact CD1-CE2 3.91Å; L750-F829 HydrophobicContact CD1-CZ 3.41Å; L750-F829 VanDerWaalsContact CD1-CZ 3.41Å
751	L	88.6	Confident	80.1	Confident	35 Å²	35	70.7 Å²	70.7	18%	0.183	39%	0.394	C	S	.	.	H	α-helix	trans	-73.4	-40.5	174.3	-67	174	0	0	0	111.3	Y747 N748 F754 S755 E794 A798	Y747-L751 HydrophobicContact CD1-CD1 4.45Å; Y747-L751 HydrophobicContact CE1-CD1 3.89Å; Y747-L751 PolarHBondContact O-N 2.92Å; N748-L751 WeakPolarHBondContact O-CB 3.33Å; N748-L751 PolarHBondContact O-N 3.34Å; L751-F754 PolarHBondContact O-N 3Å; L751-S755 PolarHBondContact O-N 3.28Å; L751-E794 HydrophobicContact CD1-CB 4.36Å; L751-E794 HydrophobicContact CD2-CB 3.88Å; L751-E794 HydrophobicContact CD2-CG 4.34Å; L751-E794 VanDerWaalsContact CD2-O 3.26Å; L751-E794 WeakPolarHBondContact CD2-O 3.39Å; L751-A798 HydrophobicContact CD2-CB 4.03Å; L751-A798 HydrophobicContact CG-CB 4.4Å
752	E	85.2	Confident	79.1	Confident	136 Å²	136	71.3 Å²	71.3	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-60.7	-50.4	172.6	-69	168.8	-175	0	0	110	N748 G749 F754 S755	N748-E752 PolarHBondContact O-N 3.48Å; G749-E752 PolarHBondContact O-N 3.19Å; E752-F754 PolarHBondContact O-N 2.9Å; E752-S755 WeakPolarHBondContact O-CB 3.49Å; E752-S755 PolarHBondContact O-N 2.87Å; E752-S755 VanDerWaalsContact O-N 3.09Å; E752-S755 PolarHBondContact O-OG 3.47Å
753	E	85	Confident	78.8	Confident	86 Å²	86	69.1 Å²	69.1	40%	0.402	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-42.1	176.3	-159.5	-156.2	130.3	0	0	112.6	G749 S755 E756 N757 I801	G749-E753 WeakPolarHBondContact O-CB 3.47Å; G749-E753 PolarHBondContact O-N 2.58Å; E753-S755 PolarHBondContact O-N 2.76Å; E753-S755 VanDerWaalsContact O-N 3.14Å; E753-E756 PolarHBondContact O-N 3.33Å; E753-E756 VanDerWaalsContact O-N 3.15Å; E753-N757 HydrophobicContact CG-CB 4.45Å; E753-N757 WeakPolarHBondContact O-CB 3.39Å; E753-N757 PolarHBondContact O-N 2.87Å; E753-N757 PolarHBondContact OE1-ND2 3.26Å; E753-I801 HydrophobicContact CB-CG2 4.45Å; E753-I801 HydrophobicContact CG-CG2 4.4Å; E753-I801 VanDerWaalsContact OE1-CG2 3.31Å; E753-I801 WeakPolarHBondContact OE1-CG2 3.49Å; E753-I801 VanDerWaalsContact OE2-CG2 3.32Å; E753-I801 WeakPolarHBondContact OE2-CG2 3.29Å
754	F	79.8	Confident	78.8	Confident	4 Å²	4	72.6 Å²	72.6	2%	0.018	39%	0.391	C	S	.	.	H	α-helix	trans	-59	-28.2	177.2	-177	-84.5	0	0	0	112.4	L750 L751 E752 A760 R764 Q797 S800 I801	L750-F754 VanDerWaalsContact O-CB 3.31Å; L750-F754 WeakPolarHBondContact O-CB 3.5Å; L750-F754 PolarHBondContact O-N 3.16Å; L751-F754 PolarHBondContact O-N 3Å; E752-F754 PolarHBondContact O-N 2.9Å; F754-A760 HydrophobicContact CD1-CB 4.47Å; F754-A760 HydrophobicContact CD2-CB 3.6Å; F754-A760 HydrophobicContact CE1-CB 4.44Å; F754-A760 HydrophobicContact CE2-CB 3.59Å; F754-A760 HydrophobicContact CG-CB 4.04Å; F754-A760 HydrophobicContact CZ-CB 4Å; F754-A760 WeakPolarHBondContact O-CB 3.38Å; F754-R764 HydrophobicContact CE1-CB 4.35Å; F754-R764 HydrophobicContact CE1-CG 3.98Å; F754-R764 HydrophobicContact CZ-CB 3.75Å; F754-R764 HydrophobicContact CZ-CG 3.86Å; F754-R764 PolarHBondContact O-NH2 3.31Å; F754-Q797 HydrophobicContact CD1-CB 3.84Å; F754-Q797 HydrophobicContact CD1-CG 3.82Å; F754-Q797 HydrophobicContact CD2-CB 3.7Å; F754-Q797 HydrophobicContact CD2-CG 4.09Å; F754-Q797 WeakPolarHBondContact CD2-O 3.35Å; F754-Q797 HydrophobicContact CE1-CB 3.98Å; F754-Q797 HydrophobicContact CE1-CG 3.45Å; F754-Q797 VanDerWaalsContact CE1-CG 3.45Å; F754-Q797 VanDerWaalsContact CE1-NE2 3.31Å; F754-Q797 HydrophobicContact CE2-CB 3.83Å; F754-Q797 HydrophobicContact CE2-CG 3.73Å; F754-Q797 HydrophobicContact CG-CB 3.74Å; F754-Q797 HydrophobicContact CG-CG 4.17Å; F754-Q797 HydrophobicContact CZ-CB 4.01Å; F754-Q797 HydrophobicContact CZ-CG 3.42Å; F754-Q797 VanDerWaalsContact CZ-CG 3.42Å; F754-S800 WeakPolarHBondContact CE2-OG 3.46Å; F754-I801 HydrophobicContact CB-CD1 4.18Å; F754-I801 HydrophobicContact CB-CG1 3.74Å; F754-I801 HydrophobicContact CD2-CD1 3.78Å; F754-I801 HydrophobicContact CD2-CG1 3.84Å; F754-I801 HydrophobicContact CG-CD1 4.41Å; F754-I801 HydrophobicContact CG-CG1 4.29Å
755	S	71.6	Confident	78.7	Confident	76 Å²	76	76.1 Å²	76.1	53%	0.531	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-38.8	179.4	81.8	0	0	0	0	112.2	L751 E752 E753 R764	L751-S755 PolarHBondContact O-N 3.28Å; E752-S755 WeakPolarHBondContact O-CB 3.49Å; E752-S755 PolarHBondContact O-N 2.87Å; E752-S755 VanDerWaalsContact O-N 3.09Å; E752-S755 PolarHBondContact O-OG 3.47Å; E753-S755 PolarHBondContact O-N 2.76Å; E753-S755 VanDerWaalsContact O-N 3.14Å; S755-R764 PolarHBondContact O-NH2 3.08Å
756	E	70.3	Confident	78.8	Confident	168 Å²	168	74 Å²	74	79%	0.785	38%	0.376	S	S	*	.	H	α-helix	trans	-94.7	-31.5	-175.6	-55.1	-169	154.4	0	0	114	E753 T758	E753-E756 PolarHBondContact O-N 3.33Å; E753-E756 VanDerWaalsContact O-N 3.15Å; E756-T758 PolarHBondContact O-N 3.45Å
757	N	68.8	Low	78.7	Confident	45 Å²	45	72 Å²	72	24%	0.241	37%	0.368	C	S	.	.			trans	-69.8	126.3	-170.5	-174.1	-32.1	0	0	0	112.4	E753 L759 A760 I801	E753-N757 HydrophobicContact CG-CB 4.45Å; E753-N757 WeakPolarHBondContact O-CB 3.39Å; E753-N757 PolarHBondContact O-N 2.87Å; E753-N757 PolarHBondContact OE1-ND2 3.26Å; N757-L759 PolarHBondContact O-N 3.39Å; N757-L759 WeakPolarHBondContact OD1-CB 3.22Å; N757-L759 PolarHBondContact OD1-N 2.78Å; N757-A760 HydrophobicContact CB-CB 4.27Å; N757-A760 WeakPolarHBondContact O-CB 3.18Å; N757-A760 PolarHBondContact O-N 3.33Å; N757-I801 HydrophobicContact CB-CD1 4.42Å
758	T	63.7	Low	78.5	Confident	124 Å²	124	74.7 Å²	74.7	76%	0.761	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-28	-176.6	52.3	0	0	0	0	113.9	E756 A760 A761	E756-T758 PolarHBondContact O-N 3.45Å; T758-A760 PolarHBondContact O-N 3.07Å; T758-A761 WeakPolarHBondContact O-CB 3.44Å; T758-A761 PolarHBondContact O-N 2.86Å
759	L	56.7	Low	78.4	Confident	120 Å²	120	76.8 Å²	76.8	63%	0.628	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.8	174.3	-62.9	173	0	0	0	111.3	N757 A761 Q762	N757-L759 PolarHBondContact O-N 3.39Å; N757-L759 WeakPolarHBondContact OD1-CB 3.22Å; N757-L759 PolarHBondContact OD1-N 2.78Å; L759-A761 PolarHBondContact O-N 3.16Å; L759-A761 VanDerWaalsContact O-N 3.17Å; L759-Q762 PolarHBondContact O-N 2.91Å
760	A	62.2	Low	78.6	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.008	38%	0.381	C	S	.	.	H	α-helix	trans	-55.6	-32.6	175.5	0	0	0	0	0	112.4	F754 N757 T758 Q762 H763 R764 I801	F754-A760 HydrophobicContact CD1-CB 4.47Å; F754-A760 HydrophobicContact CD2-CB 3.6Å; F754-A760 HydrophobicContact CE1-CB 4.44Å; F754-A760 HydrophobicContact CE2-CB 3.59Å; F754-A760 HydrophobicContact CG-CB 4.04Å; F754-A760 HydrophobicContact CZ-CB 4Å; F754-A760 WeakPolarHBondContact O-CB 3.38Å; N757-A760 HydrophobicContact CB-CB 4.27Å; N757-A760 WeakPolarHBondContact O-CB 3.18Å; N757-A760 PolarHBondContact O-N 3.33Å; T758-A760 PolarHBondContact O-N 3.07Å; A760-Q762 VanDerWaalsContact C-N 3.29Å; A760-Q762 PolarHBondContact O-N 3.41Å; A760-H763 PolarHBondContact O-N 2.89Å; A760-R764 WeakPolarHBondContact O-CB 3.45Å; A760-R764 PolarHBondContact O-N 2.97Å; A760-I801 HydrophobicContact CB-CD1 3.99Å
761	A	64.5	Low	78.6	Confident	59 Å²	59	75.3 Å²	75.3	49%	0.488	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-34.3	-177	0	0	0	0	0	113.4	T758 L759 R764 R765	T758-A761 WeakPolarHBondContact O-CB 3.44Å; T758-A761 PolarHBondContact O-N 2.86Å; L759-A761 PolarHBondContact O-N 3.16Å; L759-A761 VanDerWaalsContact O-N 3.17Å; A761-R764 PolarHBondContact O-N 3.33Å; A761-R765 PolarHBondContact O-N 2.72Å
762	Q	72	Confident	78.5	Confident	152 Å²	152	78 Å²	78	71%	0.71	40%	0.396	S	S	*	.	H	α-helix	trans	-66.1	-43.5	177.7	-177.3	173	-22.8	0	0	111.3	L759 A760	L759-Q762 PolarHBondContact O-N 2.91Å; A760-Q762 VanDerWaalsContact C-N 3.29Å; A760-Q762 PolarHBondContact O-N 3.41Å
763	H	81.8	Confident	78.7	Confident	39 Å²	39	76.7 Å²	76.7	18%	0.181	39%	0.385	C	S	.	.	H	α-helix	trans	-76	-33.1	176.8	-62.2	-62.3	0	0	0	112.3	A760 R765 Q766 I767 Y808	A760-H763 PolarHBondContact O-N 2.89Å; H763-R765 VanDerWaalsContact C-N 3.3Å; H763-R765 PolarHBondContact O-N 3.39Å; H763-Q766 PolarHBondContact O-N 3.37Å; H763-I767 HydrophobicContact CB-CD1 4.36Å; H763-I767 WeakPolarHBondContact O-CG1 3.06Å; H763-I767 PolarHBondContact O-N 3.48Å; H763-Y808 PolarHBondContact CE1-N 3.48Å; H763-Y808 PolarHBondContact ND1-N 2.83Å; H763-Y808 VanDerWaalsContact ND1-N 3.17Å
764	R	83.4	Confident	78.9	Confident	95 Å²	95	72.6 Å²	72.6	36%	0.358	37%	0.366	S	S	.	.	H	α-helix	trans	-51.5	-46.2	178.4	-161.5	177.9	-68.2	-162	3.9	111.8	F754 S755 A760 A761 S768	F754-R764 HydrophobicContact CE1-CB 4.35Å; F754-R764 HydrophobicContact CE1-CG 3.98Å; F754-R764 HydrophobicContact CZ-CB 3.75Å; F754-R764 HydrophobicContact CZ-CG 3.86Å; F754-R764 PolarHBondContact O-NH2 3.31Å; S755-R764 PolarHBondContact O-NH2 3.08Å; A760-R764 WeakPolarHBondContact O-CB 3.45Å; A760-R764 PolarHBondContact O-N 2.97Å; A761-R764 PolarHBondContact O-N 3.33Å; R764-S768 PolarHBondContact O-N 2.92Å; R764-S768 PolarHBondContact O-OG 3.04Å; R764-S768 VanDerWaalsContact O-OG 3.1Å
765	R	82.9	Confident	79.4	Confident	186 Å²	186	72.4 Å²	72.4	70%	0.702	37%	0.366	S	S	*	.	H	α-helix	trans	-65	-41.4	177.2	-175.3	174.3	-177.5	153.1	3.9	112.8	A761 H763 L769	A761-R765 PolarHBondContact O-N 2.72Å; H763-R765 VanDerWaalsContact C-N 3.3Å; H763-R765 PolarHBondContact O-N 3.39Å; R765-L769 HydrophobicContact CG-CD1 4.47Å; R765-L769 WeakPolarHBondContact O-CG 3.29Å; R765-L769 PolarHBondContact O-N 3.17Å
766	Q	86	Confident	80.2	Confident	83 Å²	83	71.9 Å²	71.9	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-68.9	-42.7	-179.4	-162	76.9	22	0	0	111.1	H763 L769 D770 Y808	H763-Q766 PolarHBondContact O-N 3.37Å; Q766-L769 PolarHBondContact O-N 2.97Å; Q766-D770 VanDerWaalsContact O-CG 3.26Å; Q766-D770 PolarHBondContact O-N 3.48Å; Q766-Y808 HydrophobicContact CB-CD1 3.92Å; Q766-Y808 HydrophobicContact CB-CE1 4.29Å; Q766-Y808 HydrophobicContact CG-CD1 3.71Å; Q766-Y808 HydrophobicContact CG-CE1 3.77Å
767	I	90.9	Very high	81	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-50.1	174.7	-66.9	165.6	0	0	0	110.2	H763 L769 D770 L771 Q793 L796 Q797 Y808	H763-I767 HydrophobicContact CB-CD1 4.36Å; H763-I767 WeakPolarHBondContact O-CG1 3.06Å; H763-I767 PolarHBondContact O-N 3.48Å; I767-L769 VanDerWaalsContact C-N 3.27Å; I767-L769 PolarHBondContact O-N 2.65Å; I767-D770 WeakPolarHBondContact O-CA 3.18Å; I767-D770 WeakPolarHBondContact O-CB 3.37Å; I767-D770 PolarHBondContact O-N 3.45Å; I767-L771 HydrophobicContact CG2-CD2 4.31Å; I767-L771 HydrophobicContact CG2-CG 4.44Å; I767-L771 WeakPolarHBondContact O-CG 3.44Å; I767-L771 PolarHBondContact O-N 3.22Å; I767-L771 VanDerWaalsContact O-N 3.11Å; I767-Q793 HydrophobicContact CG2-CG 4.5Å; I767-L796 HydrophobicContact CD1-CB 4.02Å; I767-L796 HydrophobicContact CG1-CB 4.16Å; I767-L796 HydrophobicContact CG2-CB 4.08Å; I767-L796 HydrophobicContact CG2-CD1 4.11Å; I767-Q797 HydrophobicContact CD1-CG 4.1Å; I767-Y808 HydrophobicContact CD1-CD2 4.43Å; I767-Y808 HydrophobicContact CD1-CG 4.21Å; I767-Y808 HydrophobicContact CG1-CD1 3.81Å; I767-Y808 HydrophobicContact CG1-CD2 3.77Å; I767-Y808 HydrophobicContact CG1-CE1 4.31Å; I767-Y808 HydrophobicContact CG1-CE2 4.28Å; I767-Y808 HydrophobicContact CG1-CG 3.52Å
768	S	87.9	Confident	82.2	Confident	58 Å²	58	67 Å²	67	41%	0.406	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-30.1	-178.1	-65.3	0	0	0	0	114.3	R764 D770	R764-S768 PolarHBondContact O-N 2.92Å; R764-S768 PolarHBondContact O-OG 3.04Å; R764-S768 VanDerWaalsContact O-OG 3.1Å; S768-D770 VanDerWaalsContact C-N 3.26Å
769	L	86.9	Confident	83.5	Confident	106 Å²	106	63.3 Å²	63.3	56%	0.555	32%	0.317	S	S	*	.	H	α-helix	trans	-73	-19	172.8	-70.6	170	0	0	0	113	R765 Q766 I767 R773	R765-L769 HydrophobicContact CG-CD1 4.47Å; R765-L769 WeakPolarHBondContact O-CG 3.29Å; R765-L769 PolarHBondContact O-N 3.17Å; Q766-L769 PolarHBondContact O-N 2.97Å; I767-L769 VanDerWaalsContact C-N 3.27Å; I767-L769 PolarHBondContact O-N 2.65Å; L769-R773 WeakPolarHBondContact O-CG 3.36Å; L769-R773 PolarHBondContact O-NE 3.49Å
770	D	91.2	Very high	85.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-98.3	-26.7	-172	-71.8	14.8	0	0	0	112.4	Q766 I767 S768 R773 T774 Y808 N813	Q766-D770 VanDerWaalsContact O-CG 3.26Å; Q766-D770 PolarHBondContact O-N 3.48Å; I767-D770 WeakPolarHBondContact O-CA 3.18Å; I767-D770 WeakPolarHBondContact O-CB 3.37Å; I767-D770 PolarHBondContact O-N 3.45Å; S768-D770 VanDerWaalsContact C-N 3.26Å; D770-R773 VanDerWaalsContact CG-NH2 3.32Å; D770-R773 VanDerWaalsContact O-CG 3.29Å; D770-R773 WeakPolarHBondContact O-CG 3.35Å; D770-R773 PolarHBondContact O-N 3.22Å; D770-R773 IonicContact OD1-CZ 2.73Å; D770-R773 IonicContact OD1-NE 2.72Å; D770-R773 PolarHBondContact OD1-NE 3.31Å; D770-R773 IonicContact OD1-NH2 3.55Å; D770-R773 PolarHBondContact OD1-NH2 3.25Å; D770-R773 IonicContact OD2-NH2 3.52Å; D770-R773 PolarHBondContact OD2-NH2 2.84Å; D770-T774 PolarHBondContact O-N 2.7Å; D770-T774 PolarHBondContact O-OG1 2.77Å; D770-Y808 HydrophobicContact CB-CE1 4.46Å; D770-Y808 WeakPolarHBondContact CB-OH 3.24Å; D770-Y808 VanDerWaalsContact OD2-CE1 3.32Å; D770-Y808 WeakPolarHBondContact OD2-CE1 3.35Å; D770-Y808 PolarHBondContact OD2-OH 2.99Å; D770-N813 HydrophobicContact CB-CB 4.38Å
771	L	91.6	Very high	86.6	Confident	8 Å²	8	60.8 Å²	60.8	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-50.1	-62.6	177.4	-66.6	178.4	0	0	0	112.7	I767 R773 T774 V789 L792 Q793	I767-L771 HydrophobicContact CG2-CD2 4.31Å; I767-L771 HydrophobicContact CG2-CG 4.44Å; I767-L771 WeakPolarHBondContact O-CG 3.44Å; I767-L771 PolarHBondContact O-N 3.22Å; I767-L771 VanDerWaalsContact O-N 3.11Å; L771-R773 PolarHBondContact O-N 3.36Å; L771-R773 VanDerWaalsContact O-N 3.15Å; L771-T774 WeakPolarHBondContact O-CB 3.4Å; L771-T774 PolarHBondContact O-N 3.08Å; L771-V789 HydrophobicContact CB-CG1 4.02Å; L771-V789 HydrophobicContact CD1-CG1 3.96Å; L771-V789 HydrophobicContact CD2-CG1 4.42Å; L771-V789 HydrophobicContact CG-CG1 4.34Å; L771-L792 HydrophobicContact CD2-CB 4.16Å; L771-L792 HydrophobicContact CD2-CD2 3.86Å; L771-L792 HydrophobicContact CD2-CG 3.81Å; L771-Q793 HydrophobicContact CD1-CB 3.87Å; L771-Q793 HydrophobicContact CD1-CG 4.02Å; L771-Q793 HydrophobicContact CD2-CB 3.95Å
772	L	86.6	Confident	87.8	Confident	91 Å²	91	60.1 Å²	60.1	48%	0.476	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.8	-174.7	-61.2	-179.9	0	0	0	114.6	I784	L772-I784 HydrophobicContact CD2-CB 4.02Å; L772-I784 HydrophobicContact CD2-CG1 4.49Å
773	R	88.5	Confident	88.6	Confident	109 Å²	109	56.1 Å²	56.1	41%	0.411	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	6.1	169.6	61.7	-178	-174.8	143.8	-1.9	113.1	L769 D770 L771	L769-R773 WeakPolarHBondContact O-CG 3.36Å; L769-R773 PolarHBondContact O-NE 3.49Å; D770-R773 VanDerWaalsContact CG-NH2 3.32Å; D770-R773 VanDerWaalsContact O-CG 3.29Å; D770-R773 WeakPolarHBondContact O-CG 3.35Å; D770-R773 PolarHBondContact O-N 3.22Å; D770-R773 IonicContact OD1-CZ 2.73Å; D770-R773 IonicContact OD1-NE 2.72Å; D770-R773 PolarHBondContact OD1-NE 3.31Å; D770-R773 IonicContact OD1-NH2 3.55Å; D770-R773 PolarHBondContact OD1-NH2 3.25Å; D770-R773 IonicContact OD2-NH2 3.52Å; D770-R773 PolarHBondContact OD2-NH2 2.84Å; L771-R773 PolarHBondContact O-N 3.36Å; L771-R773 VanDerWaalsContact O-N 3.15Å
774	T	90.3	Very high	88.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-98.9	117.9	176.6	-56.5	0	0	0	0	110	D770 L771 P776 F781 L792 N813 F814 A817	D770-T774 PolarHBondContact O-N 2.7Å; D770-T774 PolarHBondContact O-OG1 2.77Å; L771-T774 WeakPolarHBondContact O-CB 3.4Å; L771-T774 PolarHBondContact O-N 3.08Å; T774-P776 VanDerWaalsContact C-CD 3.47Å; T774-F781 VanDerWaalsContact O-CB 3.29Å; T774-F781 WeakPolarHBondContact O-CB 3.19Å; T774-L792 HydrophobicContact CG2-CD2 3.73Å; T774-N813 HydrophobicContact CG2-CB 4.48Å; T774-N813 PolarHBondContact OG1-ND2 3.08Å; T774-F814 HydrophobicContact CG2-CD1 4.03Å; T774-F814 HydrophobicContact CG2-CE1 4.43Å; T774-A817 HydrophobicContact CG2-CB 3.41Å; T774-A817 VanDerWaalsContact CG2-CB 3.41Å
775	M	89.5	Confident	88.9	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.312	C	S	.	.	S	Bend	trans	45.7	47	-179.4	-61	-173	-179.6	0	0	115.7	F658 N777 N778 F781 A817 V818 L821 Y894	F658-M775 HydrophobicContact CE1-CB 4.5Å; F658-M775 HydrophobicContact CE1-CG 4.46Å; F658-M775 HydrophobicContact CE1-SD 4.35Å; F658-M775 HydrophobicContact CZ-SD 4.13Å; M775-N777 PolarHBondContact O-N 3.21Å; M775-N778 HydrophobicContact CB-CB 4.02Å; M775-N778 WeakPolarHBondContact O-CB 3.42Å; M775-N778 PolarHBondContact O-N 3.44Å; M775-F781 HydrophobicContact CB-CB 4.1Å; M775-F781 HydrophobicContact CB-CD2 3.71Å; M775-F781 HydrophobicContact CB-CG 4.2Å; M775-F781 HydrophobicContact CG-CD2 4.29Å; M775-F781 HydrophobicContact SD-CD2 3.77Å; M775-F781 HydrophobicContact SD-CE2 3.63Å; M775-A817 HydrophobicContact CE-CB 3.84Å; M775-A817 HydrophobicContact CG-CB 4.32Å; M775-A817 HydrophobicContact SD-CB 3.94Å; M775-V818 HydrophobicContact CE-CB 4.19Å; M775-V818 HydrophobicContact CE-CG2 3.39Å; M775-L821 HydrophobicContact CE-CD1 3.9Å; M775-L821 HydrophobicContact SD-CD1 3.76Å; M775-L821 HydrophobicContact SD-CG 4.34Å; M775-Y894 HydrophobicContact CE-CD2 4.01Å; M775-Y894 HydrophobicContact CE-CE2 3.67Å; M775-Y894 HydrophobicContact CG-CE2 3.76Å; M775-Y894 WeakPolarHBondContact CG-OH 3.15Å; M775-Y894 HydrophobicContact SD-CE2 4.47Å
776	P	88.7	Confident	89.2	Confident	64 Å²	64	53.4 Å²	53.4	42%	0.416	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.5	-174.5	27.5	-37	0	0	0	114.4	T774 N778 D782	T774-P776 VanDerWaalsContact C-CD 3.47Å; P776-N778 VanDerWaalsContact C-N 3.33Å; P776-D782 WeakPolarHBondContact O-CB 3.49Å
777	N	87.7	Confident	89.4	Confident	111 Å²	111	53 Å²	53	59%	0.594	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	4.3	174.1	-62.4	-16.5	0	0	0	113.3	F658 K659 M775	F658-N777 CarbonylContact C-O 3.34Å; F658-N777 WeakPolarHBondContact CA-O 2.85Å; K659-N777 WeakPolarHBondContact CB-O 3.43Å; K659-N777 PolarHBondContact N-O 2.95Å; M775-N777 PolarHBondContact O-N 3.21Å
778	N	92.4	Very high	89.4	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-112.5	133.9	-176.7	-171.3	-66.7	0	0	0	111.5	Y656 G657 F658 M775 P776 Q780 F781 D782	Y656-N778 PolarHBondContact O-ND2 3.44Å; G657-N778 CarbonylContact O-C 3.56Å; G657-N778 WeakPolarHBondContact O-CA 3.41Å; F658-N778 HydrophobicContact CD1-CB 3.73Å; F658-N778 HydrophobicContact CE1-CB 3.74Å; F658-N778 HydrophobicContact CG-CB 4.43Å; F658-N778 HydrophobicContact CZ-CB 4.43Å; F658-N778 WeakPolarHBondContact CZ-ND2 3.16Å; M775-N778 HydrophobicContact CB-CB 4.02Å; M775-N778 WeakPolarHBondContact O-CB 3.42Å; M775-N778 PolarHBondContact O-N 3.44Å; P776-N778 VanDerWaalsContact C-N 3.33Å; N778-Q780 PolarHBondContact O-N 2.89Å; N778-Q780 WeakPolarHBondContact OD1-CB 3.48Å; N778-Q780 PolarHBondContact OD1-N 2.82Å; N778-F781 HydrophobicContact CB-CD2 4.2Å; N778-F781 CarbonylContact O-C 3.58Å; N778-F781 PolarHBondContact O-N 3.24Å; N778-D782 WeakPolarHBondContact O-CB 3.39Å; N778-D782 PolarHBondContact O-N 3.03Å
779	V	91.9	Very high	89.7	Confident	47 Å²	47	50.4 Å²	50.4	29%	0.285	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.1	-176.9	-60.8	0	0	0	0	115.4	V653 G657 K659	V653-V779 HydrophobicContact CG1-CG1 3.94Å; V653-V779 HydrophobicContact CG1-CG2 4.41Å; V653-V779 HydrophobicContact CG2-CG1 4.13Å; G657-V779 PolarHBondContact O-N 3.3Å; K659-V779 HydrophobicContact CG-CG1 4.18Å
780	Q	91.5	Very high	90	Very high	65 Å²	65	51 Å²	51	30%	0.304	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-20.6	172.1	-63.4	-63.2	-44.1	0	0	112.8	N778 A786 G788 V789 L821	N778-Q780 PolarHBondContact O-N 2.89Å; N778-Q780 WeakPolarHBondContact OD1-CB 3.48Å; N778-Q780 PolarHBondContact OD1-N 2.82Å; Q780-A786 VanDerWaalsContact O-CB 3.26Å; Q780-A786 WeakPolarHBondContact O-CB 3.13Å; Q780-G788 CarbonylContact O-C 3.48Å; Q780-G788 WeakPolarHBondContact O-CA 3.44Å; Q780-G788 PolarHBondContact O-N 3.37Å; Q780-V789 PolarHBondContact O-N 2.99Å; Q780-L821 HydrophobicContact CG-CD2 4.34Å
781	F	93.3	Very high	90.2	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	7.5	-168.3	-49.9	-75.5	0	0	0	114.7	T774 M775 N778 N783 G788 V789 L792 A817 L820 L821	T774-F781 VanDerWaalsContact O-CB 3.29Å; T774-F781 WeakPolarHBondContact O-CB 3.19Å; M775-F781 HydrophobicContact CB-CB 4.1Å; M775-F781 HydrophobicContact CB-CD2 3.71Å; M775-F781 HydrophobicContact CB-CG 4.2Å; M775-F781 HydrophobicContact CG-CD2 4.29Å; M775-F781 HydrophobicContact SD-CD2 3.77Å; M775-F781 HydrophobicContact SD-CE2 3.63Å; N778-F781 HydrophobicContact CB-CD2 4.2Å; N778-F781 CarbonylContact O-C 3.58Å; N778-F781 PolarHBondContact O-N 3.24Å; F781-N783 PolarHBondContact O-N 3.22Å; F781-G788 WeakPolarHBondContact CE1-O 3.44Å; F781-V789 HydrophobicContact CB-CG2 4.44Å; F781-L792 HydrophobicContact CD1-CD2 4.24Å; F781-L792 HydrophobicContact CE1-CB 4.14Å; F781-L792 HydrophobicContact CE1-CD2 4.34Å; F781-A817 HydrophobicContact CE1-CB 4.22Å; F781-A817 HydrophobicContact CE2-CB 4.19Å; F781-A817 HydrophobicContact CZ-CB 3.9Å; F781-L820 HydrophobicContact CZ-CB 4.1Å; F781-L821 HydrophobicContact CE2-CD2 3.88Å; F781-L821 HydrophobicContact CE2-CG 4.17Å
782	D	88.2	Confident	90.5	Very high	46 Å²	46	54.4 Å²	54.4	25%	0.246	28%	0.282	C	S	.	.	S	Bend	trans	-77.3	-17	-171.1	62.9	1.6	0	0	0	115.4	K659 P776 N778	K659-D782 WeakPolarHBondContact CE-OD2 3.35Å; K659-D782 IonicContact NZ-OD2 3.68Å; K659-D782 PolarHBondContact NZ-OD2 2.99Å; P776-D782 WeakPolarHBondContact O-CB 3.49Å; N778-D782 WeakPolarHBondContact O-CB 3.39Å; N778-D782 PolarHBondContact O-N 3.03Å
783	N	89.6	Confident	90.9	Very high	68 Å²	68	52.9 Å²	52.9	36%	0.364	27%	0.272	S	S	.	.	S	Bend	trans	-151.9	165.4	-179.9	79.6	86.8	0	0	0	111.1	F781 D785 A786 V789	F781-N783 PolarHBondContact O-N 3.22Å; N783-D785 VanDerWaalsContact C-N 3.29Å; N783-D785 PolarHBondContact O-N 2.93Å; N783-D785 WeakPolarHBondContact OD1-CA 3.37Å; N783-D785 WeakPolarHBondContact OD1-CB 3.42Å; N783-D785 PolarHBondContact OD1-N 2.65Å; N783-A786 WeakPolarHBondContact O-CB 3.47Å; N783-A786 PolarHBondContact O-N 3.2Å; N783-A786 VanDerWaalsContact O-N 3.1Å; N783-A786 PolarHBondContact OD1-N 2.95Å; N783-V789 VanDerWaalsContact O-CG2 3.25Å; N783-V789 WeakPolarHBondContact O-CG2 3.28Å
784	I	85.7	Confident	91.2	Very high	116 Å²	116	49.1 Å²	49.1	60%	0.595	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-27	-171.8	-160.8	165.5	0	0	0	114	L772 A786	L772-I784 HydrophobicContact CD2-CB 4.02Å; L772-I784 HydrophobicContact CD2-CG1 4.49Å; I784-A786 VanDerWaalsContact C-N 3.32Å
785	D	85.7	Confident	91.5	Very high	142 Å²	142	49.1 Å²	49.1	76%	0.759	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.3	178.2	-50.7	-58	0	0	0	112.2	N783	N783-D785 VanDerWaalsContact C-N 3.29Å; N783-D785 PolarHBondContact O-N 2.93Å; N783-D785 WeakPolarHBondContact OD1-CA 3.37Å; N783-D785 WeakPolarHBondContact OD1-CB 3.42Å; N783-D785 PolarHBondContact OD1-N 2.65Å
786	A	89.3	Confident	91.8	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.033	26%	0.259	C	S	.	.	S	Bend	trans	-69	135	179.5	0	0	0	0	0	111.2	Q780 N783 I784 G788 V789	Q780-A786 VanDerWaalsContact O-CB 3.26Å; Q780-A786 WeakPolarHBondContact O-CB 3.13Å; N783-A786 WeakPolarHBondContact O-CB 3.47Å; N783-A786 PolarHBondContact O-N 3.2Å; N783-A786 VanDerWaalsContact O-N 3.1Å; N783-A786 PolarHBondContact OD1-N 2.95Å; I784-A786 VanDerWaalsContact C-N 3.32Å; A786-G788 PolarHBondContact O-N 3.26Å; A786-V789 HydrophobicContact CB-CG2 4.29Å; A786-V789 WeakPolarHBondContact O-CB 3.22Å; A786-V789 PolarHBondContact O-N 2.81Å
787	P	89.5	Confident	92.1	Very high	74 Å²	74	47.3 Å²	47.3	48%	0.481	25%	0.245	S	C	.	.	H	α-helix	trans	-70.6	-8.4	-169.4	27.9	-36.1	0	0	0	114.5	K791	P787-K791 WeakPolarHBondContact O-CD 3.28Å; P787-K791 WeakPolarHBondContact O-CE 3.5Å; P787-K791 VanDerWaalsContact O-CG 3.24Å; P787-K791 WeakPolarHBondContact O-CG 3.48Å; P787-K791 PolarHBondContact O-NZ 3.48Å
788	G	92.2	Very high	92.4	Very high	2 Å²	2	42 Å²	42	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-82.9	-32.1	167.7	0	0	0	0	0	113	Q780 F781 A786 K791 L792	Q780-G788 CarbonylContact O-C 3.48Å; Q780-G788 WeakPolarHBondContact O-CA 3.44Å; Q780-G788 PolarHBondContact O-N 3.37Å; F781-G788 WeakPolarHBondContact CE1-O 3.44Å; A786-G788 PolarHBondContact O-N 3.26Å; G788-K791 PolarHBondContact O-N 3.28Å; G788-L792 VanDerWaalsContact O-CB 3.26Å; G788-L792 WeakPolarHBondContact O-CB 3.02Å; G788-L792 PolarHBondContact O-N 3.47Å
789	V	93.9	Very high	92.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-46.9	177.6	173.8	0	0	0	0	111.3	L771 Q780 F781 N783 A786 L792 Q793	L771-V789 HydrophobicContact CB-CG1 4.02Å; L771-V789 HydrophobicContact CD1-CG1 3.96Å; L771-V789 HydrophobicContact CD2-CG1 4.42Å; L771-V789 HydrophobicContact CG-CG1 4.34Å; Q780-V789 PolarHBondContact O-N 2.99Å; F781-V789 HydrophobicContact CB-CG2 4.44Å; N783-V789 VanDerWaalsContact O-CG2 3.25Å; N783-V789 WeakPolarHBondContact O-CG2 3.28Å; A786-V789 HydrophobicContact CB-CG2 4.29Å; A786-V789 WeakPolarHBondContact O-CB 3.22Å; A786-V789 PolarHBondContact O-N 2.81Å; V789-L792 PolarHBondContact O-N 3.18Å; V789-Q793 WeakPolarHBondContact O-CB 3.46Å; V789-Q793 PolarHBondContact O-N 2.89Å
790	Q	92.7	Very high	92.6	Very high	120 Å²	120	40 Å²	40	56%	0.561	20%	0.204	S	C	*	.	H	α-helix	trans	-61.3	-46.3	176.2	-173.6	-173.5	-21.8	0	0	111.6	L792 Q793 E794	Q790-L792 VanDerWaalsContact C-N 3.31Å; Q790-L792 PolarHBondContact O-N 3.5Å; Q790-Q793 WeakPolarHBondContact O-CB 3.49Å; Q790-Q793 PolarHBondContact O-N 3.03Å; Q790-E794 WeakPolarHBondContact CG-OE1 3.2Å; Q790-E794 PolarHBondContact NE2-OE1 3.24Å; Q790-E794 WeakPolarHBondContact O-CG 3.25Å; Q790-E794 PolarHBondContact O-N 3.3Å
791	K	96.1	Very high	92.7	Very high	79 Å²	79	37.7 Å²	37.7	34%	0.343	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-40.2	177.9	-64.7	166.3	-164.6	158	0	111.8	P787 G788 E794 V795 L820 K825	P787-K791 WeakPolarHBondContact O-CD 3.28Å; P787-K791 WeakPolarHBondContact O-CE 3.5Å; P787-K791 VanDerWaalsContact O-CG 3.24Å; P787-K791 WeakPolarHBondContact O-CG 3.48Å; P787-K791 PolarHBondContact O-NZ 3.48Å; G788-K791 PolarHBondContact O-N 3.28Å; K791-E794 PolarHBondContact O-N 3.1Å; K791-V795 WeakPolarHBondContact O-CB 3.5Å; K791-V795 VanDerWaalsContact O-CG2 3.28Å; K791-V795 WeakPolarHBondContact O-CG2 3.39Å; K791-V795 PolarHBondContact O-N 3.4Å; K791-L820 HydrophobicContact CB-CD1 4.03Å; K791-L820 HydrophobicContact CB-CD2 3.83Å; K791-L820 HydrophobicContact CD-CD2 4.41Å; K791-K825 HydrophobicContact CB-CB 4.32Å; K791-K825 HydrophobicContact CG-CB 4.42Å
792	L	97	Very high	92.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-43.3	176.7	178.7	63.3	0	0	0	111	L771 T774 F781 G788 V789 Q790 V795 L796 A816 A817 L820	L771-L792 HydrophobicContact CD2-CB 4.16Å; L771-L792 HydrophobicContact CD2-CD2 3.86Å; L771-L792 HydrophobicContact CD2-CG 3.81Å; T774-L792 HydrophobicContact CG2-CD2 3.73Å; F781-L792 HydrophobicContact CD1-CD2 4.24Å; F781-L792 HydrophobicContact CE1-CB 4.14Å; F781-L792 HydrophobicContact CE1-CD2 4.34Å; G788-L792 VanDerWaalsContact O-CB 3.26Å; G788-L792 WeakPolarHBondContact O-CB 3.02Å; G788-L792 PolarHBondContact O-N 3.47Å; V789-L792 PolarHBondContact O-N 3.18Å; Q790-L792 VanDerWaalsContact C-N 3.31Å; Q790-L792 PolarHBondContact O-N 3.5Å; L792-V795 PolarHBondContact O-N 2.79Å; L792-L796 HydrophobicContact CD1-CD1 3.85Å; L792-L796 HydrophobicContact CD1-CG 4.11Å; L792-L796 HydrophobicContact CG-CD1 3.97Å; L792-L796 WeakPolarHBondContact O-CB 3.4Å; L792-L796 VanDerWaalsContact O-CG 3.24Å; L792-L796 WeakPolarHBondContact O-CG 3.15Å; L792-L796 PolarHBondContact O-N 2.81Å; L792-A816 HydrophobicContact CD1-CB 3.56Å; L792-A817 HydrophobicContact CD1-CB 4.22Å; L792-A817 HydrophobicContact CD2-CB 4.45Å; L792-L820 VanDerWaalsContact CA-CD1 3.47Å; L792-L820 HydrophobicContact CB-CD1 3.86Å; L792-L820 HydrophobicContact CD1-CD1 4.2Å
793	Q	94.8	Very high	92.7	Very high	58 Å²	58	38.3 Å²	38.3	27%	0.271	20%	0.196	S	C	.	.	H	α-helix	trans	-58.4	-53.4	174	-172.7	173.4	23.4	0	0	110.8	I767 L771 V789 Q790 V795 L796 Q797	I767-Q793 HydrophobicContact CG2-CG 4.5Å; L771-Q793 HydrophobicContact CD1-CB 3.87Å; L771-Q793 HydrophobicContact CD1-CG 4.02Å; L771-Q793 HydrophobicContact CD2-CB 3.95Å; V789-Q793 WeakPolarHBondContact O-CB 3.46Å; V789-Q793 PolarHBondContact O-N 2.89Å; Q790-Q793 WeakPolarHBondContact O-CB 3.49Å; Q790-Q793 PolarHBondContact O-N 3.03Å; Q793-V795 PolarHBondContact O-N 3.43Å; Q793-L796 PolarHBondContact O-N 3.32Å; Q793-Q797 HydrophobicContact CG-CG 4.3Å; Q793-Q797 VanDerWaalsContact CG-NE2 3.33Å; Q793-Q797 VanDerWaalsContact O-CB 3.29Å; Q793-Q797 WeakPolarHBondContact O-CB 3.5Å; Q793-Q797 WeakPolarHBondContact O-CG 3.33Å; Q793-Q797 PolarHBondContact O-N 3.02Å
794	E	94.9	Very high	92.6	Very high	30 Å²	30	39.2 Å²	39.2	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-46.2	178.9	-68.8	171.1	-172	0	0	112.2	Y747 L751 Q790 K791 L796 Q797 A798 K825	Y747-E794 WeakPolarHBondContact OH-CB 3.39Å; L751-E794 HydrophobicContact CD1-CB 4.36Å; L751-E794 HydrophobicContact CD2-CB 3.88Å; L751-E794 HydrophobicContact CD2-CG 4.34Å; L751-E794 VanDerWaalsContact CD2-O 3.26Å; L751-E794 WeakPolarHBondContact CD2-O 3.39Å; Q790-E794 WeakPolarHBondContact CG-OE1 3.2Å; Q790-E794 PolarHBondContact NE2-OE1 3.24Å; Q790-E794 WeakPolarHBondContact O-CG 3.25Å; Q790-E794 PolarHBondContact O-N 3.3Å; K791-E794 PolarHBondContact O-N 3.1Å; E794-L796 PolarHBondContact O-N 2.86Å; E794-Q797 PolarHBondContact O-N 3.48Å; E794-A798 WeakPolarHBondContact O-CB 3.46Å; E794-A798 PolarHBondContact O-N 3.13Å; E794-K825 IonicContact OE1-NZ 3.17Å; E794-K825 WeakPolarHBondContact OE2-CD 3.36Å; E794-K825 WeakPolarHBondContact OE2-CE 3.35Å; E794-K825 IonicContact OE2-NZ 3.34Å; E794-K825 PolarHBondContact OE2-NZ 3.1Å
795	V	97.3	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-46.7	177.8	167.5	0	0	0	0	112.5	K791 L792 Q793 Y799 A816 L820 K825 A828 F829 L832	K791-V795 WeakPolarHBondContact O-CB 3.5Å; K791-V795 VanDerWaalsContact O-CG2 3.28Å; K791-V795 WeakPolarHBondContact O-CG2 3.39Å; K791-V795 PolarHBondContact O-N 3.4Å; L792-V795 PolarHBondContact O-N 2.79Å; Q793-V795 PolarHBondContact O-N 3.43Å; V795-Y799 PolarHBondContact O-N 2.72Å; V795-Y799 VanDerWaalsContact O-N 3.1Å; V795-A816 HydrophobicContact CG1-CB 3.94Å; V795-L820 HydrophobicContact CG2-CD1 4.41Å; V795-L820 HydrophobicContact CG2-CD2 4.35Å; V795-K825 HydrophobicContact CG2-CB 4.15Å; V795-K825 WeakPolarHBondContact CG2-O 3.12Å; V795-A828 HydrophobicContact CG2-CB 4.39Å; V795-F829 HydrophobicContact CG1-CB 4.24Å; V795-F829 HydrophobicContact CG2-CB 4.33Å; V795-L832 HydrophobicContact CG1-CD2 4.11Å
796	L	96.2	Very high	92.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-70.5	-34.1	-179.7	-65.9	174.6	0	0	0	112.3	I767 L792 Q793 E794 S800 Y808 M812 N813 A816 L832	I767-L796 HydrophobicContact CD1-CB 4.02Å; I767-L796 HydrophobicContact CG1-CB 4.16Å; I767-L796 HydrophobicContact CG2-CB 4.08Å; I767-L796 HydrophobicContact CG2-CD1 4.11Å; L792-L796 HydrophobicContact CD1-CD1 3.85Å; L792-L796 HydrophobicContact CD1-CG 4.11Å; L792-L796 HydrophobicContact CG-CD1 3.97Å; L792-L796 WeakPolarHBondContact O-CB 3.4Å; L792-L796 VanDerWaalsContact O-CG 3.24Å; L792-L796 WeakPolarHBondContact O-CG 3.15Å; L792-L796 PolarHBondContact O-N 2.81Å; Q793-L796 PolarHBondContact O-N 3.32Å; E794-L796 PolarHBondContact O-N 2.86Å; L796-S800 WeakPolarHBondContact O-CB 3.38Å; L796-S800 PolarHBondContact O-N 2.94Å; L796-Y808 HydrophobicContact CB-CD2 4.37Å; L796-Y808 HydrophobicContact CD1-CD2 4.47Å; L796-Y808 HydrophobicContact CD1-CE2 3.86Å; L796-Y808 HydrophobicContact CD2-CD2 4.08Å; L796-Y808 HydrophobicContact CD2-CE2 3.84Å; L796-Y808 HydrophobicContact CG-CE2 4.3Å; L796-M812 HydrophobicContact CD2-CB 4.13Å; L796-N813 HydrophobicContact CD1-CB 3.97Å; L796-A816 HydrophobicContact CD2-CB 3.85Å; L796-A816 HydrophobicContact CG-CB 4.36Å; L796-L832 HydrophobicContact CD2-CD2 4.14Å
797	Q	94.2	Very high	92.7	Very high	26 Å²	26	35 Å²	35	12%	0.121	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-51.8	175.3	-74.2	179.8	-13	0	0	111.1	F754 I767 Q793 E794 Y799 S800 I801	F754-Q797 HydrophobicContact CD1-CB 3.84Å; F754-Q797 HydrophobicContact CD1-CG 3.82Å; F754-Q797 HydrophobicContact CD2-CB 3.7Å; F754-Q797 HydrophobicContact CD2-CG 4.09Å; F754-Q797 WeakPolarHBondContact CD2-O 3.35Å; F754-Q797 HydrophobicContact CE1-CB 3.98Å; F754-Q797 HydrophobicContact CE1-CG 3.45Å; F754-Q797 VanDerWaalsContact CE1-CG 3.45Å; F754-Q797 VanDerWaalsContact CE1-NE2 3.31Å; F754-Q797 HydrophobicContact CE2-CB 3.83Å; F754-Q797 HydrophobicContact CE2-CG 3.73Å; F754-Q797 HydrophobicContact CG-CB 3.74Å; F754-Q797 HydrophobicContact CG-CG 4.17Å; F754-Q797 HydrophobicContact CZ-CB 4.01Å; F754-Q797 HydrophobicContact CZ-CG 3.42Å; F754-Q797 VanDerWaalsContact CZ-CG 3.42Å; I767-Q797 HydrophobicContact CD1-CG 4.1Å; Q793-Q797 HydrophobicContact CG-CG 4.3Å; Q793-Q797 VanDerWaalsContact CG-NE2 3.33Å; Q793-Q797 VanDerWaalsContact O-CB 3.29Å; Q793-Q797 WeakPolarHBondContact O-CB 3.5Å; Q793-Q797 WeakPolarHBondContact O-CG 3.33Å; Q793-Q797 PolarHBondContact O-N 3.02Å; E794-Q797 PolarHBondContact O-N 3.48Å; Q797-Y799 VanDerWaalsContact C-N 3.32Å; Q797-Y799 PolarHBondContact O-N 3.25Å; Q797-S800 PolarHBondContact O-N 3.04Å; Q797-S800 VanDerWaalsContact O-N 3.1Å; Q797-S800 PolarHBondContact O-OG 2.91Å; Q797-I801 PolarHBondContact O-N 3.41Å
798	A	94.7	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-42.2	176.8	0	0	0	0	0	112.3	Y747 L750 L751 E794 S800 I801 H802 F829	Y747-A798 HydrophobicContact CD2-CB 3.75Å; Y747-A798 HydrophobicContact CE2-CB 3.59Å; L750-A798 HydrophobicContact CB-CB 4.04Å; L751-A798 HydrophobicContact CD2-CB 4.03Å; L751-A798 HydrophobicContact CG-CB 4.4Å; E794-A798 WeakPolarHBondContact O-CB 3.46Å; E794-A798 PolarHBondContact O-N 3.13Å; A798-S800 PolarHBondContact O-N 2.98Å; A798-I801 PolarHBondContact O-N 3.14Å; A798-H802 WeakPolarHBondContact O-CB 3.35Å; A798-H802 PolarHBondContact O-N 3.2Å; A798-F829 HydrophobicContact CB-CD2 3.81Å; A798-F829 HydrophobicContact CB-CE2 3.76Å
799	Y	95.1	Very high	92.8	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-38.6	176.4	-173	-90.2	0	0	0	112.7	V795 Q797 I801 H802 N803 M812 L832 I833 L836 E837	V795-Y799 PolarHBondContact O-N 2.72Å; V795-Y799 VanDerWaalsContact O-N 3.1Å; Q797-Y799 VanDerWaalsContact C-N 3.32Å; Q797-Y799 PolarHBondContact O-N 3.25Å; Y799-I801 PolarHBondContact O-N 3.19Å; Y799-H802 WeakPolarHBondContact O-CB 3.39Å; Y799-H802 PolarHBondContact O-N 3.46Å; Y799-H802 VanDerWaalsContact O-N 3.13Å; Y799-N803 HydrophobicContact CE1-CB 4.37Å; Y799-N803 PolarHBondContact O-N 3.4Å; Y799-N803 VanDerWaalsContact O-N 3.11Å; Y799-M812 HydrophobicContact CD1-SD 4.19Å; Y799-M812 HydrophobicContact CE1-CE 3.92Å; Y799-M812 HydrophobicContact CE1-SD 4.15Å; Y799-L832 HydrophobicContact CD1-CD2 4.44Å; Y799-L832 HydrophobicContact CD2-CD2 4.14Å; Y799-L832 HydrophobicContact CD2-CG 4.21Å; Y799-L832 HydrophobicContact CG-CD2 3.83Å; Y799-L832 HydrophobicContact CG-CG 4.33Å; Y799-I833 HydrophobicContact CD2-CG1 3.85Å; Y799-I833 HydrophobicContact CE2-CG1 3.89Å; Y799-L836 HydrophobicContact CD1-CD1 4.15Å; Y799-L836 HydrophobicContact CD2-CD1 4.35Å; Y799-L836 HydrophobicContact CE1-CD1 3.57Å; Y799-L836 HydrophobicContact CE2-CB 4.49Å; Y799-L836 HydrophobicContact CE2-CD1 3.77Å; Y799-E837 PolarHBondContact OH-OE1 3.23Å
800	S	93.1	Very high	92.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-22	179.5	73.7	0	0	0	0	114.3	F754 L796 Q797 A798	F754-S800 WeakPolarHBondContact CE2-OG 3.46Å; L796-S800 WeakPolarHBondContact O-CB 3.38Å; L796-S800 PolarHBondContact O-N 2.94Å; Q797-S800 PolarHBondContact O-N 3.04Å; Q797-S800 VanDerWaalsContact O-N 3.1Å; Q797-S800 PolarHBondContact O-OG 2.91Å; A798-S800 PolarHBondContact O-N 2.98Å
801	I	92.6	Very high	92	Very high	18 Å²	18	32.8 Å²	32.8	9%	0.092	17%	0.166	C	C	.	.	H	α-helix	trans	-84.9	-46.9	167.7	-55	-51.5	0	0	0	110.9	L750 E753 F754 N757 A760 Q797 A798 Y799 N803 S804	L750-I801 HydrophobicContact CD2-CB 3.92Å; L750-I801 HydrophobicContact CD2-CG2 3.56Å; E753-I801 HydrophobicContact CB-CG2 4.45Å; E753-I801 HydrophobicContact CG-CG2 4.4Å; E753-I801 VanDerWaalsContact OE1-CG2 3.31Å; E753-I801 WeakPolarHBondContact OE1-CG2 3.49Å; E753-I801 VanDerWaalsContact OE2-CG2 3.32Å; E753-I801 WeakPolarHBondContact OE2-CG2 3.29Å; F754-I801 HydrophobicContact CB-CD1 4.18Å; F754-I801 HydrophobicContact CB-CG1 3.74Å; F754-I801 HydrophobicContact CD2-CD1 3.78Å; F754-I801 HydrophobicContact CD2-CG1 3.84Å; F754-I801 HydrophobicContact CG-CD1 4.41Å; F754-I801 HydrophobicContact CG-CG1 4.29Å; N757-I801 HydrophobicContact CB-CD1 4.42Å; A760-I801 HydrophobicContact CB-CD1 3.99Å; Q797-I801 PolarHBondContact O-N 3.41Å; A798-I801 PolarHBondContact O-N 3.14Å; Y799-I801 PolarHBondContact O-N 3.19Å; I801-N803 PolarHBondContact O-N 2.83Å; I801-N803 VanDerWaalsContact O-N 3.13Å; I801-S804 PolarHBondContact O-N 3.42Å
802	H	92.7	Very high	92	Very high	29 Å²	29	29.1 Å²	29.1	13%	0.134	15%	0.15	C	C	.	.	H	α-helix	trans	-47.4	-45.5	-178.5	179.6	61.2	0	0	0	113.1	Y746 L750 A798 Y799 F829 I833 E837	Y746-H802 AromaticContact CE1-CE1 3.78Å; Y746-H802 AromaticContact CE1-ND1 3.35Å; Y746-H802 VanDerWaalsContact CE1-ND1 3.35Å; Y746-H802 WeakPolarHBondContact CE1-ND1 3.37Å; Y746-H802 AromaticContact CZ-ND1 3.54Å; Y746-H802 PolarHBondContact OH-ND1 3.01Å; L750-H802 HydrophobicContact CD1-CB 4.05Å; A798-H802 WeakPolarHBondContact O-CB 3.35Å; A798-H802 PolarHBondContact O-N 3.2Å; Y799-H802 WeakPolarHBondContact O-CB 3.39Å; Y799-H802 PolarHBondContact O-N 3.46Å; Y799-H802 VanDerWaalsContact O-N 3.13Å; H802-F829 HydrophobicContact CB-CE2 4.23Å; H802-F829 HydrophobicContact CB-CZ 4.34Å; H802-I833 WeakPolarHBondContact NE2-CD1 3.27Å; H802-E837 IonicContact CD2-OE1 2.63Å; H802-E837 IonicContact NE2-OE1 3.72Å; H802-E837 IonicContact NE2-OE2 3.06Å
803	N	90.3	Very high	91.9	Very high	32 Å²	32	29.1 Å²	29.1	17%	0.171	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	67.5	178.8	-168.2	-22.7	0	0	0	110.6	Y799 I801 K805 I806 G807 E837	Y799-N803 HydrophobicContact CE1-CB 4.37Å; Y799-N803 PolarHBondContact O-N 3.4Å; Y799-N803 VanDerWaalsContact O-N 3.11Å; I801-N803 PolarHBondContact O-N 2.83Å; I801-N803 VanDerWaalsContact O-N 3.13Å; N803-K805 PolarHBondContact O-N 2.76Å; N803-I806 PolarHBondContact O-N 3.34Å; N803-G807 PolarHBondContact O-N 3.33Å; N803-E837 WeakPolarHBondContact CB-OE1 3.43Å; N803-E837 PolarHBondContact ND2-OE1 2.91Å
804	S	87	Confident	91.9	Very high	87 Å²	87	28 Å²	28	61%	0.608	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.7	-179.8	59.8	0	0	0	0	115.4	I801 I806	I801-S804 PolarHBondContact O-N 3.42Å; S804-I806 VanDerWaalsContact C-N 3.33Å
805	K	85.6	Confident	92	Very high	146 Å²	146	26.6 Å²	26.6	64%	0.635	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-32.3	169.2	169.8	-176.4	167.4	-173.3	0	112.4	N803 E842	N803-K805 PolarHBondContact O-N 2.76Å; K805-E842 IonicContact NZ-OE1 2.59Å; K805-E842 PolarHBondContact NZ-OE1 3.17Å
806	I	88.3	Confident	92	Very high	26 Å²	26	26.6 Å²	26.6	13%	0.133	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-40.8	174.1	-56.7	179.2	0	0	0	110.1	N803 S804 Y808 M812 F845	N803-I806 PolarHBondContact O-N 3.34Å; S804-I806 VanDerWaalsContact C-N 3.33Å; I806-Y808 PolarHBondContact O-N 2.83Å; I806-M812 HydrophobicContact CG2-CE 3.47Å; I806-M812 VanDerWaalsContact CG2-CE 3.47Å; I806-F845 HydrophobicContact CG2-CB 3.95Å
807	G	89.4	Confident	92.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.			trans	65.1	-121.8	-177.1	0	0	0	0	0	111.2	N803	N803-G807 PolarHBondContact O-N 3.33Å
808	Y	92.2	Very high	92.2	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.051	13%	0.132	C	C	.	.			trans	-117.6	130.7	171.9	175.1	-98.6	0	0	0	111.5	H763 Q766 I767 D770 L796 I806 M812 N813	H763-Y808 PolarHBondContact CE1-N 3.48Å; H763-Y808 PolarHBondContact ND1-N 2.83Å; H763-Y808 VanDerWaalsContact ND1-N 3.17Å; Q766-Y808 HydrophobicContact CB-CD1 3.92Å; Q766-Y808 HydrophobicContact CB-CE1 4.29Å; Q766-Y808 HydrophobicContact CG-CD1 3.71Å; Q766-Y808 HydrophobicContact CG-CE1 3.77Å; I767-Y808 HydrophobicContact CD1-CD2 4.43Å; I767-Y808 HydrophobicContact CD1-CG 4.21Å; I767-Y808 HydrophobicContact CG1-CD1 3.81Å; I767-Y808 HydrophobicContact CG1-CD2 3.77Å; I767-Y808 HydrophobicContact CG1-CE1 4.31Å; I767-Y808 HydrophobicContact CG1-CE2 4.28Å; I767-Y808 HydrophobicContact CG1-CG 3.52Å; D770-Y808 HydrophobicContact CB-CE1 4.46Å; D770-Y808 WeakPolarHBondContact CB-OH 3.24Å; D770-Y808 VanDerWaalsContact OD2-CE1 3.32Å; D770-Y808 WeakPolarHBondContact OD2-CE1 3.35Å; D770-Y808 PolarHBondContact OD2-OH 2.99Å; L796-Y808 HydrophobicContact CB-CD2 4.37Å; L796-Y808 HydrophobicContact CD1-CD2 4.47Å; L796-Y808 HydrophobicContact CD1-CE2 3.86Å; L796-Y808 HydrophobicContact CD2-CD2 4.08Å; L796-Y808 HydrophobicContact CD2-CE2 3.84Å; L796-Y808 HydrophobicContact CG-CE2 4.3Å; I806-Y808 PolarHBondContact O-N 2.83Å; Y808-M812 HydrophobicContact CD2-CB 4.28Å; Y808-M812 HydrophobicContact CD2-SD 4.29Å; Y808-M812 HydrophobicContact CE2-CB 3.93Å; Y808-N813 HydrophobicContact CE2-CB 4.44Å; Y808-N813 WeakPolarHBondContact OH-CB 3.36Å; Y808-N813 PolarHBondContact OH-OD1 3.13Å
809	C	90	Very high	92.3	Very high	33 Å²	33	25.3 Å²	25.3	22%	0.223	13%	0.132	C	C	.	.			trans	-125	137.8	175.4	-167.7	0	0	0	0	110.5	G811 M812 F845	C809-G811 PolarHBondContact O-N 3.22Å; C809-M812 HydrophobicContact CB-CE 4.01Å; C809-M812 HydrophobicContact CB-SD 4.27Å; C809-M812 PolarHBondContact N-SD 2.73Å; C809-M812 WeakPolarHBondContact O-CB 3.45Å; C809-M812 VanDerWaalsContact O-CG 3.3Å; C809-M812 WeakPolarHBondContact O-CG 3.29Å; C809-M812 PolarHBondContact O-N 2.79Å; C809-F845 HydrophobicContact CB-CB 4.04Å; C809-F845 HydrophobicContact CB-CD1 4.07Å
810	Q	84.5	Confident	92.4	Very high	101 Å²	101	26.1 Å²	26.1	47%	0.472	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	127.4	-179.4	-176.8	-173	-44.9	0	0	110.3
811	G	87	Confident	92.4	Very high	6 Å²	6	27.7 Å²	27.7	6%	0.062	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.9	-39.2	-170.3	0	0	0	0	0	111.8	C809 N813 F814 I815	C809-G811 PolarHBondContact O-N 3.22Å; G811-N813 WeakPolarHBondContact CA-OD1 3.45Å; G811-N813 PolarHBondContact N-OD1 2.74Å; G811-N813 PolarHBondContact O-N 3.35Å; G811-F814 PolarHBondContact O-N 2.93Å; G811-I815 PolarHBondContact O-N 3.24Å
812	M	94.9	Very high	92.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-33	176.7	-66.5	179	172.1	0	0	112.7	L796 Y799 I806 Y808 C809 F814 I815 A816 L836 F845	L796-M812 HydrophobicContact CD2-CB 4.13Å; Y799-M812 HydrophobicContact CD1-SD 4.19Å; Y799-M812 HydrophobicContact CE1-CE 3.92Å; Y799-M812 HydrophobicContact CE1-SD 4.15Å; I806-M812 HydrophobicContact CG2-CE 3.47Å; I806-M812 VanDerWaalsContact CG2-CE 3.47Å; Y808-M812 HydrophobicContact CD2-CB 4.28Å; Y808-M812 HydrophobicContact CD2-SD 4.29Å; Y808-M812 HydrophobicContact CE2-CB 3.93Å; C809-M812 HydrophobicContact CB-CE 4.01Å; C809-M812 HydrophobicContact CB-SD 4.27Å; C809-M812 PolarHBondContact N-SD 2.73Å; C809-M812 WeakPolarHBondContact O-CB 3.45Å; C809-M812 VanDerWaalsContact O-CG 3.3Å; C809-M812 WeakPolarHBondContact O-CG 3.29Å; C809-M812 PolarHBondContact O-N 2.79Å; M812-F814 VanDerWaalsContact C-N 3.3Å; M812-F814 PolarHBondContact O-N 3.04Å; M812-I815 PolarHBondContact O-N 3.33Å; M812-A816 WeakPolarHBondContact O-CB 3.38Å; M812-A816 PolarHBondContact O-N 2.85Å; M812-L836 HydrophobicContact CE-CD1 3.72Å; M812-L836 HydrophobicContact CE-CD2 4.37Å; M812-L836 HydrophobicContact CG-CD1 4.16Å; M812-L836 HydrophobicContact CG-CD2 4.49Å; M812-L836 HydrophobicContact SD-CD1 4.09Å; M812-F845 HydrophobicContact CE-CB 3.57Å; M812-F845 HydrophobicContact CE-CD1 4.21Å; M812-F845 HydrophobicContact CE-CD2 4.41Å; M812-F845 HydrophobicContact CE-CG 3.82Å; M812-F845 HydrophobicContact CG-CD1 4.2Å; M812-F845 HydrophobicContact CG-CE1 4.35Å
813	N	95.3	Very high	92.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-56.2	-39.8	174.1	60.6	-59.9	0	0	0	113.2	D770 T774 L796 Y808 G811 A817	D770-N813 HydrophobicContact CB-CB 4.38Å; T774-N813 HydrophobicContact CG2-CB 4.48Å; T774-N813 PolarHBondContact OG1-ND2 3.08Å; L796-N813 HydrophobicContact CD1-CB 3.97Å; Y808-N813 HydrophobicContact CE2-CB 4.44Å; Y808-N813 WeakPolarHBondContact OH-CB 3.36Å; Y808-N813 PolarHBondContact OH-OD1 3.13Å; G811-N813 WeakPolarHBondContact CA-OD1 3.45Å; G811-N813 PolarHBondContact N-OD1 2.74Å; G811-N813 PolarHBondContact O-N 3.35Å; N813-A817 VanDerWaalsContact O-CB 3.27Å; N813-A817 WeakPolarHBondContact O-CB 3.49Å; N813-A817 PolarHBondContact O-N 2.85Å
814	F	95.7	Very high	92.9	Very high	35 Å²	35	31.9 Å²	31.9	15%	0.154	16%	0.157	C	C	.	.	H	α-helix	trans	-72.2	-39.7	178.7	-57	-59.2	0	0	0	111.5	T774 G811 M812 A817 V818 A891 Y894	T774-F814 HydrophobicContact CG2-CD1 4.03Å; T774-F814 HydrophobicContact CG2-CE1 4.43Å; G811-F814 PolarHBondContact O-N 2.93Å; M812-F814 VanDerWaalsContact C-N 3.3Å; M812-F814 PolarHBondContact O-N 3.04Å; F814-A817 PolarHBondContact O-N 3.39Å; F814-V818 WeakPolarHBondContact O-CG2 3.34Å; F814-V818 PolarHBondContact O-N 2.9Å; F814-A891 HydrophobicContact CB-CB 4.42Å; F814-A891 HydrophobicContact CD2-CB 4.27Å; F814-Y894 HydrophobicContact CB-CD1 3.7Å; F814-Y894 HydrophobicContact CB-CE1 4.34Å; F814-Y894 HydrophobicContact CB-CG 3.99Å; F814-Y894 AromaticContact CD1-CD1 3.45Å; F814-Y894 HydrophobicContact CD1-CD1 3.45Å; F814-Y894 VanDerWaalsContact CD1-CD1 3.45Å; F814-Y894 AromaticContact CD1-CE1 3.23Å; F814-Y894 HydrophobicContact CD1-CE1 3.23Å; F814-Y894 HydrophobicContact CD1-CG 4.4Å; F814-Y894 HydrophobicContact CD2-CD1 4.26Å; F814-Y894 HydrophobicContact CE1-CD1 4.12Å; F814-Y894 AromaticContact CE1-CE1 3.6Å; F814-Y894 HydrophobicContact CE1-CE1 3.6Å; F814-Y894 AromaticContact CG-CD1 3.54Å; F814-Y894 HydrophobicContact CG-CD1 3.54Å; F814-Y894 AromaticContact CG-CE1 3.86Å; F814-Y894 HydrophobicContact CG-CE1 3.86Å; F814-Y894 HydrophobicContact CG-CG 4.34Å; F814-Y894 HydrophobicContact CZ-CE1 4.46Å
815	I	96.7	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-50.3	175.5	-57.5	175.9	0	0	0	110.1	G811 M812 A817 V818 A819 L832 I835 L836 F845 V892 W906	G811-I815 PolarHBondContact O-N 3.24Å; M812-I815 PolarHBondContact O-N 3.33Å; I815-A817 VanDerWaalsContact C-N 3.34Å; I815-A817 PolarHBondContact O-N 3.3Å; I815-V818 PolarHBondContact O-N 3.41Å; I815-A819 PolarHBondContact O-N 2.77Å; I815-L832 HydrophobicContact CB-CD1 4.01Å; I815-L832 HydrophobicContact CG2-CD1 3.76Å; I815-I835 HydrophobicContact CD1-CG2 4.19Å; I815-I835 HydrophobicContact CG2-CB 4.34Å; I815-I835 HydrophobicContact CG2-CD1 3.55Å; I815-I835 HydrophobicContact CG2-CG2 4.04Å; I815-L836 HydrophobicContact CD1-CD2 4.29Å; I815-F845 HydrophobicContact CD1-CE2 4.48Å; I815-F845 HydrophobicContact CD1-CZ 3.94Å; I815-V892 HydrophobicContact CD1-CG2 4.09Å; I815-V892 HydrophobicContact CG1-CG2 4.12Å; I815-W906 HydrophobicContact CG2-CH2 3.82Å; I815-W906 HydrophobicContact CG2-CZ2 4.26Å; I815-W906 WeakPolarHBondContact O-CH2 3.47Å
816	A	97.5	Very high	93.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.1	-38.6	178.1	0	0	0	0	0	112.6	L792 V795 L796 M812 A819 L820 L832	L792-A816 HydrophobicContact CD1-CB 3.56Å; V795-A816 HydrophobicContact CG1-CB 3.94Å; L796-A816 HydrophobicContact CD2-CB 3.85Å; L796-A816 HydrophobicContact CG-CB 4.36Å; M812-A816 WeakPolarHBondContact O-CB 3.38Å; M812-A816 PolarHBondContact O-N 2.85Å; A816-A819 PolarHBondContact O-N 3.02Å; A816-L820 WeakPolarHBondContact O-CB 3.04Å; A816-L820 VanDerWaalsContact O-CG 3.27Å; A816-L820 WeakPolarHBondContact O-CG 3.48Å; A816-L820 PolarHBondContact O-N 3.34Å; A816-L832 HydrophobicContact CB-CD2 4.34Å
817	A	96.6	Very high	94.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.6	-39.9	177.2	0	0	0	0	0	113.2	T774 M775 F781 L792 N813 F814 I815 A819 L820 L821	T774-A817 HydrophobicContact CG2-CB 3.41Å; T774-A817 VanDerWaalsContact CG2-CB 3.41Å; M775-A817 HydrophobicContact CE-CB 3.84Å; M775-A817 HydrophobicContact CG-CB 4.32Å; M775-A817 HydrophobicContact SD-CB 3.94Å; F781-A817 HydrophobicContact CE1-CB 4.22Å; F781-A817 HydrophobicContact CE2-CB 4.19Å; F781-A817 HydrophobicContact CZ-CB 3.9Å; L792-A817 HydrophobicContact CD1-CB 4.22Å; L792-A817 HydrophobicContact CD2-CB 4.45Å; N813-A817 VanDerWaalsContact O-CB 3.27Å; N813-A817 WeakPolarHBondContact O-CB 3.49Å; N813-A817 PolarHBondContact O-N 2.85Å; F814-A817 PolarHBondContact O-N 3.39Å; I815-A817 VanDerWaalsContact C-N 3.34Å; I815-A817 PolarHBondContact O-N 3.3Å; A817-A819 VanDerWaalsContact C-N 3.33Å; A817-L820 PolarHBondContact O-N 3.49Å; A817-L821 PolarHBondContact O-N 3.27Å
818	V	96.2	Very high	94.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-41.7	173.3	174.6	0	0	0	0	110.8	W727 M775 F814 I815 L821 Y894 L902 W906	W727-V818 HydrophobicContact CH2-CG1 4.33Å; W727-V818 HydrophobicContact CZ3-CG1 4.42Å; M775-V818 HydrophobicContact CE-CB 4.19Å; M775-V818 HydrophobicContact CE-CG2 3.39Å; F814-V818 WeakPolarHBondContact O-CG2 3.34Å; F814-V818 PolarHBondContact O-N 2.9Å; I815-V818 PolarHBondContact O-N 3.41Å; V818-L821 PolarHBondContact O-N 2.95Å; V818-Y894 HydrophobicContact CG2-CD2 4Å; V818-L902 HydrophobicContact CG2-CD2 4.02Å; V818-W906 HydrophobicContact CB-CH2 3.81Å; V818-W906 HydrophobicContact CB-CZ2 3.74Å; V818-W906 HydrophobicContact CB-CZ3 4.34Å; V818-W906 HydrophobicContact CG1-CD2 3.75Å; V818-W906 HydrophobicContact CG1-CE3 3.88Å; V818-W906 HydrophobicContact CG1-CG 4.46Å; V818-W906 HydrophobicContact CG1-CH2 3.77Å; V818-W906 HydrophobicContact CG1-CZ2 3.63Å; V818-W906 HydrophobicContact CG1-CZ3 3.89Å; V818-W906 HydrophobicContact CG2-CZ2 4.36Å
819	A	97.2	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-46	173.6	0	0	0	0	0	111.8	I815 A816 A817 L821 F822 L823 A828 C831 W906	I815-A819 PolarHBondContact O-N 2.77Å; A816-A819 PolarHBondContact O-N 3.02Å; A817-A819 VanDerWaalsContact C-N 3.33Å; A819-L821 PolarHBondContact O-N 3.15Å; A819-F822 PolarHBondContact O-N 3.03Å; A819-L823 HydrophobicContact CB-CD1 4.39Å; A819-L823 VanDerWaalsContact O-CB 3.29Å; A819-L823 WeakPolarHBondContact O-CB 3.49Å; A819-L823 PolarHBondContact O-N 2.89Å; A819-A828 HydrophobicContact CB-CB 3.81Å; A819-C831 HydrophobicContact CB-CB 3.91Å; A819-W906 HydrophobicContact CB-CZ3 4.47Å
820	L	97	Very high	95.2	Very high	19 Å²	19	24.6 Å²	24.6	10%	0.099	11%	0.111	C	C	.	.	H	α-helix	trans	-65.6	-13.5	-179.4	-79.4	169.2	0	0	0	115.5	F781 K791 L792 V795 A816 A817 F822 K825 A828	F781-L820 HydrophobicContact CZ-CB 4.1Å; K791-L820 HydrophobicContact CB-CD1 4.03Å; K791-L820 HydrophobicContact CB-CD2 3.83Å; K791-L820 HydrophobicContact CD-CD2 4.41Å; L792-L820 VanDerWaalsContact CA-CD1 3.47Å; L792-L820 HydrophobicContact CB-CD1 3.86Å; L792-L820 HydrophobicContact CD1-CD1 4.2Å; V795-L820 HydrophobicContact CG2-CD1 4.41Å; V795-L820 HydrophobicContact CG2-CD2 4.35Å; A816-L820 WeakPolarHBondContact O-CB 3.04Å; A816-L820 VanDerWaalsContact O-CG 3.27Å; A816-L820 WeakPolarHBondContact O-CG 3.48Å; A816-L820 PolarHBondContact O-N 3.34Å; A817-L820 PolarHBondContact O-N 3.49Å; L820-F822 VanDerWaalsContact C-N 3.33Å; L820-K825 HydrophobicContact CD2-CB 4.23Å; L820-A828 HydrophobicContact CD2-CB 3.71Å; L820-A828 HydrophobicContact CG-CB 3.76Å
821	L	94.5	Very high	95.8	Very high	34 Å²	34	19.8 Å²	19.8	18%	0.178	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.2	171	-72.1	176.9	0	0	0	113.2	F658 M775 Q780 F781 A817 V818 A819 F899	F658-L821 HydrophobicContact CE2-CD1 4.18Å; F658-L821 HydrophobicContact CZ-CD1 4.05Å; M775-L821 HydrophobicContact CE-CD1 3.9Å; M775-L821 HydrophobicContact SD-CD1 3.76Å; M775-L821 HydrophobicContact SD-CG 4.34Å; Q780-L821 HydrophobicContact CG-CD2 4.34Å; F781-L821 HydrophobicContact CE2-CD2 3.88Å; F781-L821 HydrophobicContact CE2-CG 4.17Å; A817-L821 PolarHBondContact O-N 3.27Å; V818-L821 PolarHBondContact O-N 2.95Å; A819-L821 PolarHBondContact O-N 3.15Å; L821-F899 HydrophobicContact CD1-CE1 4.49Å; L821-F899 HydrophobicContact CD1-CE2 3.89Å; L821-F899 HydrophobicContact CD1-CZ 3.52Å
822	F	94.1	Very high	96.3	Very high	22 Å²	22	19.5 Å²	19.5	10%	0.096	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-15.7	-176.9	-59.5	-73	0	0	0	114.2	Y656 R723 E724 W727 A819 L820 F899 I903	Y656-F822 AromaticContact CD1-CE1 3.8Å; Y656-F822 HydrophobicContact CD1-CE1 3.8Å; Y656-F822 AromaticContact CD1-CZ 3.6Å; Y656-F822 HydrophobicContact CD1-CZ 3.6Å; Y656-F822 AromaticContact CE1-CE1 3.73Å; Y656-F822 HydrophobicContact CE1-CE1 3.73Å; Y656-F822 AromaticContact CE1-CZ 3.63Å; Y656-F822 HydrophobicContact CE1-CZ 3.63Å; R723-F822 HydrophobicContact CB-CD1 4.49Å; R723-F822 HydrophobicContact CG-CD1 4.21Å; R723-F822 HydrophobicContact CG-CG 4.39Å; E724-F822 VanDerWaalsContact CB-O 3.27Å; E724-F822 WeakPolarHBondContact CB-O 3.44Å; E724-F822 WeakPolarHBondContact CG-O 3.44Å; W727-F822 HydrophobicContact CE3-CB 4.1Å; W727-F822 HydrophobicContact CE3-CD2 4.18Å; W727-F822 HydrophobicContact CE3-CG 4.43Å; W727-F822 AromaticContact CH2-CD2 3.65Å; W727-F822 HydrophobicContact CH2-CD2 3.65Å; W727-F822 AromaticContact CH2-CE2 3.94Å; W727-F822 HydrophobicContact CH2-CE2 3.94Å; W727-F822 HydrophobicContact CH2-CG 4.49Å; W727-F822 HydrophobicContact CZ2-CD2 4.49Å; W727-F822 HydrophobicContact CZ3-CB 4.22Å; W727-F822 AromaticContact CZ3-CD2 3.47Å; W727-F822 HydrophobicContact CZ3-CD2 3.47Å; W727-F822 VanDerWaalsContact CZ3-CD2 3.47Å; W727-F822 HydrophobicContact CZ3-CE2 4.21Å; W727-F822 HydrophobicContact CZ3-CG 4.15Å; A819-F822 PolarHBondContact O-N 3.03Å; L820-F822 VanDerWaalsContact C-N 3.33Å; F822-F899 HydrophobicContact CE2-CE1 4.36Å; F822-F899 HydrophobicContact CE2-CZ 4.13Å; F822-F899 HydrophobicContact CZ-CE1 4.14Å; F822-F899 HydrophobicContact CZ-CZ 4.36Å; F822-I903 HydrophobicContact CE2-CG2 3.72Å; F822-I903 HydrophobicContact CZ-CD1 4.46Å; F822-I903 HydrophobicContact CZ-CG2 3.89Å
823	L	95.6	Very high	96.4	Very high	10 Å²	10	19.5 Å²	19.5	5%	0.052	9%	0.085	C	C	.	.	S	Bend	trans	-125.9	150.6	-173.2	-60.6	176.6	0	0	0	111	E724 W727 R728 I731 A819 D827 A828 C831	E724-L823 HydrophobicContact CG-CD2 4.35Å; W727-L823 HydrophobicContact CB-CD2 4.16Å; R728-L823 HydrophobicContact CB-CD2 4.17Å; I731-L823 HydrophobicContact CD1-CD1 3.61Å; A819-L823 HydrophobicContact CB-CD1 4.39Å; A819-L823 VanDerWaalsContact O-CB 3.29Å; A819-L823 WeakPolarHBondContact O-CB 3.49Å; A819-L823 PolarHBondContact O-N 2.89Å; L823-D827 HydrophobicContact CB-CB 3.88Å; L823-D827 HydrophobicContact CD2-CB 4.37Å; L823-A828 HydrophobicContact CB-CB 4.29Å; L823-C831 HydrophobicContact CD1-CB 3.82Å
824	R	95.1	Very high	96.5	Very high	136 Å²	136	19.4 Å²	19.4	51%	0.513	9%	0.085	S	C	.	.			trans	-70.4	160.8	174.1	-50.4	175.1	-165.2	-174.8	0.7	109.3	E724 E826 D827 A828	E724-R824 IonicContact OE1-CZ 2.79Å; E724-R824 IonicContact OE1-NE 3.86Å; E724-R824 PolarHBondContact OE1-NE 2.96Å; E724-R824 IonicContact OE1-NH2 3.19Å; E724-R824 PolarHBondContact OE1-NH2 3.1Å; R824-E826 VanDerWaalsContact C-N 3.33Å; R824-E826 PolarHBondContact O-N 2.9Å; R824-D827 WeakPolarHBondContact CB-OD2 3.36Å; R824-D827 CarbonylContact O-C 3.6Å; R824-D827 WeakPolarHBondContact O-CA 3.32Å; R824-D827 WeakPolarHBondContact O-CB 3.47Å; R824-D827 PolarHBondContact O-N 3.24Å; R824-A828 WeakPolarHBondContact O-CB 3.39Å; R824-A828 PolarHBondContact O-N 2.97Å
825	K	95.6	Very high	96.5	Very high	74 Å²	74	17.8 Å²	17.8	32%	0.322	8%	0.078	S	C	.	.	H	α-helix	trans	-53.9	-43	-171.9	63.6	172.9	-171.6	167.5	0	114.5	Y747 K791 E794 V795 L820 A828 F829	Y747-K825 HydrophobicContact CE1-CD 3.96Å; Y747-K825 HydrophobicContact CE1-CG 3.94Å; K791-K825 HydrophobicContact CB-CB 4.32Å; K791-K825 HydrophobicContact CG-CB 4.42Å; E794-K825 IonicContact OE1-NZ 3.17Å; E794-K825 WeakPolarHBondContact OE2-CD 3.36Å; E794-K825 WeakPolarHBondContact OE2-CE 3.35Å; E794-K825 IonicContact OE2-NZ 3.34Å; E794-K825 PolarHBondContact OE2-NZ 3.1Å; V795-K825 HydrophobicContact CG2-CB 4.15Å; V795-K825 WeakPolarHBondContact CG2-O 3.12Å; L820-K825 HydrophobicContact CD2-CB 4.23Å; K825-A828 PolarHBondContact O-N 2.89Å; K825-F829 PolarHBondContact O-N 3.32Å
826	E	95.8	Very high	96.4	Very high	62 Å²	62	18 Å²	18	29%	0.29	8%	0.079	S	C	.	.	H	α-helix	trans	-67.4	-43.6	175.8	-179	174.9	-178.2	0	0	112.2	Y747 R824 A828 F829 W830	Y747-E826 HydrophobicContact CD1-CB 3.88Å; Y747-E826 HydrophobicContact CD1-CG 4.17Å; Y747-E826 HydrophobicContact CE1-CB 4.32Å; Y747-E826 HydrophobicContact CG-CB 4.24Å; Y747-E826 HydrophobicContact CG-CG 4.12Å; R824-E826 VanDerWaalsContact C-N 3.33Å; R824-E826 PolarHBondContact O-N 2.9Å; E826-A828 VanDerWaalsContact C-N 3.27Å; E826-A828 PolarHBondContact O-N 2.96Å; E826-F829 WeakPolarHBondContact O-CB 3.12Å; E826-F829 PolarHBondContact O-N 3.26Å; E826-F829 VanDerWaalsContact O-N 3.15Å; E826-W830 PolarHBondContact O-N 3.2Å; E826-W830 PolarHBondContact OE1-NE1 2.8Å
827	D	96.8	Very high	96.2	Very high	13 Å²	13	20.5 Å²	20.5	7%	0.07	9%	0.091	C	C	.	.	H	α-helix	trans	-63.5	-33	176.1	-63.3	-66.7	0	0	0	112.6	R728 H732 L823 R824 C831	R728-D827 VanDerWaalsContact CZ-CG 3.5Å; R728-D827 IonicContact CZ-OD1 2.75Å; R728-D827 IonicContact CZ-OD2 3.71Å; R728-D827 IonicContact NH1-OD1 3.93Å; R728-D827 PolarHBondContact NH1-OD1 2.79Å; R728-D827 IonicContact NH1-OD2 2.66Å; R728-D827 PolarHBondContact NH1-OD2 2.93Å; R728-D827 IonicContact NH2-OD1 3.38Å; R728-D827 IonicContact NH2-OD2 2.66Å; R728-D827 PolarHBondContact NH2-OD2 3.02Å; H732-D827 IonicContact CE1-OD1 2.86Å; H732-D827 PolarHBondContact CE1-OD1 3Å; H732-D827 IonicContact NE2-OD1 2.63Å; H732-D827 PolarHBondContact NE2-OD1 2.91Å; L823-D827 HydrophobicContact CB-CB 3.88Å; L823-D827 HydrophobicContact CD2-CB 4.37Å; R824-D827 WeakPolarHBondContact CB-OD2 3.36Å; R824-D827 CarbonylContact O-C 3.6Å; R824-D827 WeakPolarHBondContact O-CA 3.32Å; R824-D827 WeakPolarHBondContact O-CB 3.47Å; R824-D827 PolarHBondContact O-N 3.24Å; D827-C831 VanDerWaalsContact O-CB 3.31Å; D827-C831 WeakPolarHBondContact O-CB 3.32Å; D827-C831 PolarHBondContact O-N 2.99Å
828	A	98	Very high	96.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-73.7	-31.6	174.1	0	0	0	0	0	112.5	V795 A819 L820 L823 R824 K825 E826 C831 L832	V795-A828 HydrophobicContact CG2-CB 4.39Å; A819-A828 HydrophobicContact CB-CB 3.81Å; L820-A828 HydrophobicContact CD2-CB 3.71Å; L820-A828 HydrophobicContact CG-CB 3.76Å; L823-A828 HydrophobicContact CB-CB 4.29Å; R824-A828 WeakPolarHBondContact O-CB 3.39Å; R824-A828 PolarHBondContact O-N 2.97Å; K825-A828 PolarHBondContact O-N 2.89Å; E826-A828 VanDerWaalsContact C-N 3.27Å; E826-A828 PolarHBondContact O-N 2.96Å; A828-C831 WeakPolarHBondContact O-CB 3.27Å; A828-C831 PolarHBondContact O-N 2.82Å; A828-L832 WeakPolarHBondContact O-CB 3.41Å; A828-L832 PolarHBondContact O-N 2.85Å
829	F	97.8	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.4	-45.5	168.6	161.4	-96.3	0	0	0	111.5	Y746 Y747 L750 V795 A798 H802 K825 E826 C831 L832 I833	Y746-F829 HydrophobicContact CE1-CZ 4.45Å; Y747-F829 HydrophobicContact CD2-CB 3.72Å; Y747-F829 AromaticContact CD2-CD1 3.55Å; Y747-F829 HydrophobicContact CD2-CD1 3.55Å; Y747-F829 AromaticContact CD2-CD2 3.84Å; Y747-F829 HydrophobicContact CD2-CD2 3.84Å; Y747-F829 HydrophobicContact CD2-CE1 4.05Å; Y747-F829 HydrophobicContact CD2-CE2 4.31Å; Y747-F829 AromaticContact CD2-CG 3.42Å; Y747-F829 HydrophobicContact CD2-CG 3.42Å; Y747-F829 VanDerWaalsContact CD2-CG 3.42Å; Y747-F829 HydrophobicContact CD2-CZ 4.4Å; Y747-F829 HydrophobicContact CE2-CB 3.67Å; Y747-F829 HydrophobicContact CE2-CD1 4.37Å; Y747-F829 HydrophobicContact CE2-CD2 4.09Å; Y747-F829 AromaticContact CE2-CG 3.8Å; Y747-F829 HydrophobicContact CE2-CG 3.8Å; Y747-F829 HydrophobicContact CG-CD1 4.19Å; Y747-F829 HydrophobicContact CG-CG 4.44Å; L750-F829 HydrophobicContact CD1-CE1 4.37Å; L750-F829 HydrophobicContact CD1-CE2 3.91Å; L750-F829 HydrophobicContact CD1-CZ 3.41Å; L750-F829 VanDerWaalsContact CD1-CZ 3.41Å; V795-F829 HydrophobicContact CG1-CB 4.24Å; V795-F829 HydrophobicContact CG2-CB 4.33Å; A798-F829 HydrophobicContact CB-CD2 3.81Å; A798-F829 HydrophobicContact CB-CE2 3.76Å; H802-F829 HydrophobicContact CB-CE2 4.23Å; H802-F829 HydrophobicContact CB-CZ 4.34Å; K825-F829 PolarHBondContact O-N 3.32Å; E826-F829 WeakPolarHBondContact O-CB 3.12Å; E826-F829 PolarHBondContact O-N 3.26Å; E826-F829 VanDerWaalsContact O-N 3.15Å; F829-C831 VanDerWaalsContact C-N 3.32Å; F829-C831 PolarHBondContact O-N 3.5Å; F829-L832 WeakPolarHBondContact O-CB 3.48Å; F829-L832 PolarHBondContact O-N 2.81Å; F829-I833 HydrophobicContact CD1-CD1 4.08Å; F829-I833 HydrophobicContact CD2-CD1 4.39Å; F829-I833 HydrophobicContact CE1-CD1 3.54Å; F829-I833 HydrophobicContact CE2-CD1 3.88Å; F829-I833 HydrophobicContact CG-CD1 4.49Å; F829-I833 HydrophobicContact CZ-CD1 3.42Å; F829-I833 VanDerWaalsContact CZ-CD1 3.42Å; F829-I833 WeakPolarHBondContact O-CG1 3.4Å; F829-I833 PolarHBondContact O-N 3.48Å
830	W	97.6	Very high	95.8	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.011	12%	0.119	C	C	.	.	H	α-helix	trans	-65.1	-34.3	172.4	-66.8	118.4	0	0	0	112.2	I731 L735 L738 M739 K742 Y746 E826 I833 A834	I731-W830 HydrophobicContact CG2-CB 4.1Å; L735-W830 HydrophobicContact CD1-CB 4.24Å; L735-W830 HydrophobicContact CD1-CE3 3.93Å; L735-W830 WeakPolarHBondContact CD1-O 3.29Å; L738-W830 HydrophobicContact CD2-CZ3 4.28Å; L738-W830 HydrophobicContact CG-CZ3 4.37Å; M739-W830 HydrophobicContact CB-CH2 4.45Å; M739-W830 HydrophobicContact CE-CD2 4.16Å; M739-W830 HydrophobicContact CE-CG 4.07Å; M739-W830 HydrophobicContact CG-CD2 3.89Å; M739-W830 HydrophobicContact CG-CE3 3.81Å; M739-W830 HydrophobicContact CG-CH2 3.9Å; M739-W830 HydrophobicContact CG-CZ2 4Å; M739-W830 HydrophobicContact CG-CZ3 3.81Å; M739-W830 HydrophobicContact SD-CD2 4.26Å; M739-W830 HydrophobicContact SD-CG 4.39Å; K742-W830 HydrophobicContact CB-CH2 4.19Å; Y746-W830 AromaticContact CD1-CH2 3.78Å; Y746-W830 HydrophobicContact CD1-CH2 3.78Å; Y746-W830 HydrophobicContact CD1-CZ2 4.23Å; Y746-W830 HydrophobicContact CE1-CH2 4.44Å; E826-W830 PolarHBondContact O-N 3.2Å; E826-W830 PolarHBondContact OE1-NE1 2.8Å; W830-I833 HydrophobicContact CE3-CD1 3.66Å; W830-I833 HydrophobicContact CZ3-CD1 3.85Å; W830-I833 PolarHBondContact O-N 3.35Å; W830-A834 PolarHBondContact O-N 3.07Å
831	C	97.9	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.5	-47.9	170.8	-171.5	0	0	0	0	111.6	I731 A819 L823 D827 A828 F829 I833 A834 I835	I731-C831 HydrophobicContact CD1-CB 3.6Å; I731-C831 WeakPolarHBondContact CD1-SG 3.25Å; I731-C831 HydrophobicContact CG1-CB 4.47Å; A819-C831 HydrophobicContact CB-CB 3.91Å; L823-C831 HydrophobicContact CD1-CB 3.82Å; D827-C831 VanDerWaalsContact O-CB 3.31Å; D827-C831 WeakPolarHBondContact O-CB 3.32Å; D827-C831 PolarHBondContact O-N 2.99Å; A828-C831 WeakPolarHBondContact O-CB 3.27Å; A828-C831 PolarHBondContact O-N 2.82Å; F829-C831 VanDerWaalsContact C-N 3.32Å; F829-C831 PolarHBondContact O-N 3.5Å; C831-I833 PolarHBondContact O-N 3.28Å; C831-A834 PolarHBondContact O-N 2.98Å; C831-I835 WeakPolarHBondContact O-CG1 3.46Å; C831-I835 PolarHBondContact O-N 3.27Å
832	L	97.4	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-43.9	178.3	-170.6	63	0	0	0	110.9	V795 L796 Y799 I815 A816 A828 F829 I835 L836	V795-L832 HydrophobicContact CG1-CD2 4.11Å; L796-L832 HydrophobicContact CD2-CD2 4.14Å; Y799-L832 HydrophobicContact CD1-CD2 4.44Å; Y799-L832 HydrophobicContact CD2-CD2 4.14Å; Y799-L832 HydrophobicContact CD2-CG 4.21Å; Y799-L832 HydrophobicContact CG-CD2 3.83Å; Y799-L832 HydrophobicContact CG-CG 4.33Å; I815-L832 HydrophobicContact CB-CD1 4.01Å; I815-L832 HydrophobicContact CG2-CD1 3.76Å; A816-L832 HydrophobicContact CB-CD2 4.34Å; A828-L832 WeakPolarHBondContact O-CB 3.41Å; A828-L832 PolarHBondContact O-N 2.85Å; F829-L832 WeakPolarHBondContact O-CB 3.48Å; F829-L832 PolarHBondContact O-N 2.81Å; L832-I835 PolarHBondContact O-N 3.45Å; L832-L836 HydrophobicContact CD1-CD1 3.67Å; L832-L836 HydrophobicContact CD1-CG 4.06Å; L832-L836 HydrophobicContact CD2-CD1 4.5Å; L832-L836 HydrophobicContact CG-CD1 3.69Å; L832-L836 HydrophobicContact CG-CG 4.34Å; L832-L836 VanDerWaalsContact O-CB 3.29Å; L832-L836 WeakPolarHBondContact O-CB 3.42Å; L832-L836 WeakPolarHBondContact O-CG 3.45Å; L832-L836 PolarHBondContact O-N 3.21Å
833	I	96.6	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-45.6	174.1	-66.9	167.1	0	0	0	111.7	L735 L738 Y799 H802 F829 W830 C831 I835 L836 E837	L735-I833 HydrophobicContact CD1-CB 4Å; L735-I833 HydrophobicContact CD1-CG2 3.83Å; L735-I833 HydrophobicContact CD2-CG2 4.12Å; L738-I833 HydrophobicContact CD2-CG2 3.85Å; Y799-I833 HydrophobicContact CD2-CG1 3.85Å; Y799-I833 HydrophobicContact CE2-CG1 3.89Å; H802-I833 WeakPolarHBondContact NE2-CD1 3.27Å; F829-I833 HydrophobicContact CD1-CD1 4.08Å; F829-I833 HydrophobicContact CD2-CD1 4.39Å; F829-I833 HydrophobicContact CE1-CD1 3.54Å; F829-I833 HydrophobicContact CE2-CD1 3.88Å; F829-I833 HydrophobicContact CG-CD1 4.49Å; F829-I833 HydrophobicContact CZ-CD1 3.42Å; F829-I833 VanDerWaalsContact CZ-CD1 3.42Å; F829-I833 WeakPolarHBondContact O-CG1 3.4Å; F829-I833 PolarHBondContact O-N 3.48Å; W830-I833 HydrophobicContact CE3-CD1 3.66Å; W830-I833 HydrophobicContact CZ3-CD1 3.85Å; W830-I833 PolarHBondContact O-N 3.35Å; C831-I833 PolarHBondContact O-N 3.28Å; I833-I835 VanDerWaalsContact C-N 3.34Å; I833-I835 PolarHBondContact O-N 2.96Å; I833-L836 PolarHBondContact O-N 3.38Å; I833-E837 HydrophobicContact CG2-CG 4.5Å; I833-E837 WeakPolarHBondContact O-CB 3.5Å; I833-E837 PolarHBondContact O-N 2.97Å
834	A	96.5	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-43.8	180	0	0	0	0	0	111.6	I731 L735 W830 C831 R838 F839	I731-A834 HydrophobicContact CG2-CB 4.11Å; L735-A834 HydrophobicContact CD1-CB 3.91Å; L735-A834 HydrophobicContact CD2-CB 4.47Å; L735-A834 HydrophobicContact CG-CB 4.04Å; W830-A834 PolarHBondContact O-N 3.07Å; C831-A834 PolarHBondContact O-N 2.98Å; A834-R838 WeakPolarHBondContact O-CA 3.19Å; A834-R838 WeakPolarHBondContact O-CB 3.06Å; A834-R838 PolarHBondContact O-N 2.69Å; A834-R838 VanDerWaalsContact O-N 3.08Å; A834-F839 HydrophobicContact CB-CE2 4.05Å; A834-F839 HydrophobicContact CB-CZ 4.36Å; A834-F839 PolarHBondContact O-N 3.38Å
835	I	96.5	Very high	94.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-65.7	-47	178.5	-67.4	173.3	0	0	0	111.1	I815 C831 L832 I833 F839 L840 V892 W906 F909 L910	I815-I835 HydrophobicContact CD1-CG2 4.19Å; I815-I835 HydrophobicContact CG2-CB 4.34Å; I815-I835 HydrophobicContact CG2-CD1 3.55Å; I815-I835 HydrophobicContact CG2-CG2 4.04Å; C831-I835 WeakPolarHBondContact O-CG1 3.46Å; C831-I835 PolarHBondContact O-N 3.27Å; L832-I835 PolarHBondContact O-N 3.45Å; I833-I835 VanDerWaalsContact C-N 3.34Å; I833-I835 PolarHBondContact O-N 2.96Å; I835-F839 HydrophobicContact CG1-CD2 4.08Å; I835-L840 HydrophobicContact CG2-CD1 3.98Å; I835-L840 VanDerWaalsContact O-CB 3.27Å; I835-L840 WeakPolarHBondContact O-CB 3.09Å; I835-L840 VanDerWaalsContact O-CG 3.26Å; I835-L840 WeakPolarHBondContact O-CG 3.42Å; I835-L840 PolarHBondContact O-N 3.06Å; I835-V892 HydrophobicContact CG2-CG2 4.35Å; I835-W906 HydrophobicContact CD1-CE3 4.49Å; I835-W906 HydrophobicContact CD1-CH2 3.59Å; I835-W906 HydrophobicContact CD1-CZ2 4.32Å; I835-W906 HydrophobicContact CD1-CZ3 3.7Å; I835-F909 HydrophobicContact CD1-CE1 4.17Å; I835-F909 HydrophobicContact CG1-CE1 3.91Å; I835-F909 HydrophobicContact CG2-CE1 4.1Å; I835-F909 HydrophobicContact CG2-CZ 4.12Å; I835-L910 HydrophobicContact CD1-CD2 4.13Å; I835-L910 HydrophobicContact CG1-CD2 4.13Å
836	L	95	Very high	93.9	Very high	4 Å²	4	24 Å²	24	2%	0.021	11%	0.112	C	C	.	.	I	π-helix	trans	-80.3	-27.9	-173	-63.3	-179.8	0	0	0	114.6	Y799 M812 I815 L832 I833 F845	Y799-L836 HydrophobicContact CD1-CD1 4.15Å; Y799-L836 HydrophobicContact CD2-CD1 4.35Å; Y799-L836 HydrophobicContact CE1-CD1 3.57Å; Y799-L836 HydrophobicContact CE2-CB 4.49Å; Y799-L836 HydrophobicContact CE2-CD1 3.77Å; M812-L836 HydrophobicContact CE-CD1 3.72Å; M812-L836 HydrophobicContact CE-CD2 4.37Å; M812-L836 HydrophobicContact CG-CD1 4.16Å; M812-L836 HydrophobicContact CG-CD2 4.49Å; M812-L836 HydrophobicContact SD-CD1 4.09Å; I815-L836 HydrophobicContact CD1-CD2 4.29Å; L832-L836 HydrophobicContact CD1-CD1 3.67Å; L832-L836 HydrophobicContact CD1-CG 4.06Å; L832-L836 HydrophobicContact CD2-CD1 4.5Å; L832-L836 HydrophobicContact CG-CD1 3.69Å; L832-L836 HydrophobicContact CG-CG 4.34Å; L832-L836 VanDerWaalsContact O-CB 3.29Å; L832-L836 WeakPolarHBondContact O-CB 3.42Å; L832-L836 WeakPolarHBondContact O-CG 3.45Å; L832-L836 PolarHBondContact O-N 3.21Å; I833-L836 PolarHBondContact O-N 3.38Å; L836-F845 HydrophobicContact CD2-CD2 3.35Å; L836-F845 HydrophobicContact CD2-CE2 3.19Å; L836-F845 HydrophobicContact CD2-CG 4.23Å; L836-F845 HydrophobicContact CD2-CZ 3.97Å
837	E	93.4	Very high	92.9	Very high	54 Å²	54	27.8 Å²	27.8	25%	0.252	15%	0.145	S	C	.	.	I	π-helix	trans	-123.4	-5	-170	-52	-169.5	177.6	0	0	114.8	Y799 H802 N803 I833	Y799-E837 PolarHBondContact OH-OE1 3.23Å; H802-E837 IonicContact CD2-OE1 2.63Å; H802-E837 IonicContact NE2-OE1 3.72Å; H802-E837 IonicContact NE2-OE2 3.06Å; N803-E837 WeakPolarHBondContact CB-OE1 3.43Å; N803-E837 PolarHBondContact ND2-OE1 2.91Å; I833-E837 HydrophobicContact CG2-CG 4.5Å; I833-E837 WeakPolarHBondContact O-CB 3.5Å; I833-E837 PolarHBondContact O-N 2.97Å
838	R	93.3	Very high	92.1	Very high	123 Å²	123	27.8 Å²	27.8	46%	0.464	15%	0.148	S	C	.	.	I	π-helix	trans	-123.2	-50	175	-53.4	-66.8	169.9	-168.6	-6.3	112.9	E734 L735 A834	E734-R838 HydrophobicContact CG-CB 3.88Å; E734-R838 HydrophobicContact CG-CG 4Å; L735-R838 HydrophobicContact CD2-CG 3.57Å; A834-R838 WeakPolarHBondContact O-CA 3.19Å; A834-R838 WeakPolarHBondContact O-CB 3.06Å; A834-R838 PolarHBondContact O-N 2.69Å; A834-R838 VanDerWaalsContact O-N 3.08Å
839	F	94.1	Very high	91.6	Very high	21 Å²	21	30 Å²	30	9%	0.092	16%	0.159	C	C	.	.	I	π-helix	trans	-83.2	-36.4	-175.3	-56.5	-31.1	0	0	0	113	E734 A834 I835 F909 L910 S914	E734-F839 HydrophobicContact CB-CE1 4.38Å; E734-F839 HydrophobicContact CB-CZ 4.44Å; E734-F839 HydrophobicContact CG-CE1 3.8Å; E734-F839 HydrophobicContact CG-CZ 4.3Å; A834-F839 HydrophobicContact CB-CE2 4.05Å; A834-F839 HydrophobicContact CB-CZ 4.36Å; A834-F839 PolarHBondContact O-N 3.38Å; I835-F839 HydrophobicContact CG1-CD2 4.08Å; F839-F909 HydrophobicContact CB-CE2 4.27Å; F839-F909 HydrophobicContact CB-CZ 4.13Å; F839-F909 HydrophobicContact CD2-CE1 4.46Å; F839-F909 HydrophobicContact CD2-CZ 4.44Å; F839-L910 HydrophobicContact CD2-CD2 4.43Å; F839-L910 HydrophobicContact CE2-CD2 3.83Å; F839-L910 WeakPolarHBondContact CZ-O 3.12Å; F839-S914 WeakPolarHBondContact O-CB 3.32Å; F839-S914 PolarHBondContact O-OG 3.27Å
840	L	94	Very high	91.2	Very high	6 Å²	6	31 Å²	31	3%	0.031	17%	0.165	C	C	.	.	S	Bend	trans	-95.9	150.1	173.6	-64.1	171.9	0	0	0	111.2	I835 Y844 F845 L917	I835-L840 HydrophobicContact CG2-CD1 3.98Å; I835-L840 VanDerWaalsContact O-CB 3.27Å; I835-L840 WeakPolarHBondContact O-CB 3.09Å; I835-L840 VanDerWaalsContact O-CG 3.26Å; I835-L840 WeakPolarHBondContact O-CG 3.42Å; I835-L840 PolarHBondContact O-N 3.06Å; L840-Y844 HydrophobicContact CB-CD2 4.31Å; L840-Y844 HydrophobicContact CB-CG 4.19Å; L840-Y844 HydrophobicContact CD1-CD1 4.02Å; L840-Y844 HydrophobicContact CD1-CE1 4.37Å; L840-Y844 HydrophobicContact CD1-CG 4.37Å; L840-Y844 HydrophobicContact CD2-CD1 4.3Å; L840-Y844 HydrophobicContact CD2-CD2 4.41Å; L840-Y844 HydrophobicContact CD2-CE1 4.04Å; L840-Y844 HydrophobicContact CD2-CE2 4.15Å; L840-Y844 HydrophobicContact CD2-CG 4.46Å; L840-F845 HydrophobicContact CD1-CE2 3.81Å; L840-L917 HydrophobicContact CD2-CD1 4.03Å
841	P	91.9	Very high	91	Very high	31 Å²	31	31.6 Å²	31.6	20%	0.201	17%	0.168	C	C	.	.			trans	-56.3	145.6	170.7	-27.9	35.2	0	0	0	114.3	N843 Y844 D851	P841-N843 PolarHBondContact O-N 3.4Å; P841-Y844 HydrophobicContact CB-CD2 4.29Å; P841-Y844 HydrophobicContact CG-CD2 4.15Å; P841-Y844 HydrophobicContact CG-CE2 4.35Å; P841-Y844 WeakPolarHBondContact O-CB 3.3Å; P841-Y844 PolarHBondContact O-N 3.49Å; P841-Y844 VanDerWaalsContact O-N 3.08Å; P841-D851 HydrophobicContact CB-CB 3.64Å; P841-D851 WeakPolarHBondContact CB-OD2 3.45Å; P841-D851 HydrophobicContact CG-CB 4.24Å
842	E	87	Confident	90.8	Very high	121 Å²	121	31.6 Å²	31.6	57%	0.565	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.3	-171.9	-164.9	-148	138.2	0	0	115	K805	K805-E842 IonicContact NZ-OE1 2.59Å; K805-E842 PolarHBondContact NZ-OE1 3.17Å
843	N	86.9	Confident	90.6	Very high	27 Å²	27	35.6 Å²	35.6	14%	0.144	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	16.6	-173.8	-72.6	-87.6	0	0	0	113.4	P841 F845 N846 D851	P841-N843 PolarHBondContact O-N 3.4Å; N843-F845 PolarHBondContact O-N 2.98Å; N843-N846 HydrophobicContact CB-CB 4.46Å; N843-N846 WeakPolarHBondContact CB-ND2 3.41Å; N843-N846 VanDerWaalsContact O-CG 3.31Å; N843-N846 PolarHBondContact O-N 3.4Å; N843-N846 PolarHBondContact OD1-ND2 3.48Å; N843-D851 VanDerWaalsContact CA-OD2 3.31Å; N843-D851 WeakPolarHBondContact CA-OD2 3.25Å; N843-D851 VanDerWaalsContact CB-OD2 3.24Å; N843-D851 WeakPolarHBondContact CB-OD2 3.42Å; N843-D851 PolarHBondContact N-OD2 3.4Å
844	Y	91.6	Very high	90.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-48.5	-175.9	-135.8	-104.2	0	0	0	114.1	L840 P841 L849 D851 A852 D855 F889 L890	L840-Y844 HydrophobicContact CB-CD2 4.31Å; L840-Y844 HydrophobicContact CB-CG 4.19Å; L840-Y844 HydrophobicContact CD1-CD1 4.02Å; L840-Y844 HydrophobicContact CD1-CE1 4.37Å; L840-Y844 HydrophobicContact CD1-CG 4.37Å; L840-Y844 HydrophobicContact CD2-CD1 4.3Å; L840-Y844 HydrophobicContact CD2-CD2 4.41Å; L840-Y844 HydrophobicContact CD2-CE1 4.04Å; L840-Y844 HydrophobicContact CD2-CE2 4.15Å; L840-Y844 HydrophobicContact CD2-CG 4.46Å; P841-Y844 HydrophobicContact CB-CD2 4.29Å; P841-Y844 HydrophobicContact CG-CD2 4.15Å; P841-Y844 HydrophobicContact CG-CE2 4.35Å; P841-Y844 WeakPolarHBondContact O-CB 3.3Å; P841-Y844 PolarHBondContact O-N 3.49Å; P841-Y844 VanDerWaalsContact O-N 3.08Å; Y844-L849 VanDerWaalsContact O-CD2 3.3Å; Y844-L849 WeakPolarHBondContact O-CD2 3.41Å; Y844-D851 HydrophobicContact CD2-CB 3.7Å; Y844-D851 HydrophobicContact CE2-CB 4.34Å; Y844-A852 HydrophobicContact CD1-CB 3.9Å; Y844-A852 HydrophobicContact CD2-CB 4.41Å; Y844-A852 HydrophobicContact CE1-CB 3.74Å; Y844-A852 HydrophobicContact CE2-CB 4.28Å; Y844-A852 HydrophobicContact CG-CB 4.24Å; Y844-D855 HydrophobicContact CE2-CB 4.22Å; Y844-D855 WeakPolarHBondContact CE2-OD2 3.32Å; Y844-D855 WeakPolarHBondContact OH-CB 3.44Å; Y844-D855 PolarHBondContact OH-OD2 3.31Å; Y844-F889 HydrophobicContact CE1-CB 4.44Å; Y844-F889 WeakPolarHBondContact OH-CD2 3.46Å; Y844-L890 HydrophobicContact CD1-CD2 4.01Å; Y844-L890 HydrophobicContact CE1-CD2 4.13Å
845	F	90.1	Very high	90.6	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.031	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.4	-177.4	-69.4	-91.3	0	0	0	113.1	I806 C809 M812 I815 L836 L840 N843 L890	I806-F845 HydrophobicContact CG2-CB 3.95Å; C809-F845 HydrophobicContact CB-CB 4.04Å; C809-F845 HydrophobicContact CB-CD1 4.07Å; M812-F845 HydrophobicContact CE-CB 3.57Å; M812-F845 HydrophobicContact CE-CD1 4.21Å; M812-F845 HydrophobicContact CE-CD2 4.41Å; M812-F845 HydrophobicContact CE-CG 3.82Å; M812-F845 HydrophobicContact CG-CD1 4.2Å; M812-F845 HydrophobicContact CG-CE1 4.35Å; I815-F845 HydrophobicContact CD1-CE2 4.48Å; I815-F845 HydrophobicContact CD1-CZ 3.94Å; L836-F845 HydrophobicContact CD2-CD2 3.35Å; L836-F845 HydrophobicContact CD2-CE2 3.19Å; L836-F845 HydrophobicContact CD2-CG 4.23Å; L836-F845 HydrophobicContact CD2-CZ 3.97Å; L840-F845 HydrophobicContact CD1-CE2 3.81Å; N843-F845 PolarHBondContact O-N 2.98Å; F845-L890 HydrophobicContact CD1-CD2 4.28Å; F845-L890 HydrophobicContact CE1-CB 4.45Å; F845-L890 HydrophobicContact CE1-CD2 3.84Å; F845-L890 HydrophobicContact CZ-CD2 4.07Å; F845-L890 WeakPolarHBondContact CZ-O 3.45Å
846	N	84	Confident	90.6	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.16	19%	0.189	C	C	.	.	S	Bend	trans	-65.3	166.4	174.8	87.5	6.9	0	0	0	111.1	N843 G848 L849	N843-N846 HydrophobicContact CB-CB 4.46Å; N843-N846 WeakPolarHBondContact CB-ND2 3.41Å; N843-N846 VanDerWaalsContact O-CG 3.31Å; N843-N846 PolarHBondContact O-N 3.4Å; N843-N846 PolarHBondContact OD1-ND2 3.48Å; N846-G848 PolarHBondContact O-N 3.46Å; N846-G848 WeakPolarHBondContact OD1-CA 3.49Å; N846-G848 PolarHBondContact OD1-N 2.91Å; N846-L849 PolarHBondContact O-N 2.85Å; N846-L849 PolarHBondContact OD1-N 3.19Å
847	S	75.6	Confident	90.7	Very high	141 Å²	141	38.3 Å²	38.3	99%	0.986	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-7	-175.6	56	0	0	0	0	115.6
848	G	79.9	Confident	90.8	Very high	13 Å²	13	35.7 Å²	35.7	13%	0.134	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-7.5	170	0	0	0	0	0	114.7	N846 I850 Q853	N846-G848 PolarHBondContact O-N 3.46Å; N846-G848 WeakPolarHBondContact OD1-CA 3.49Å; N846-G848 PolarHBondContact OD1-N 2.91Å; G848-I850 PolarHBondContact O-N 2.93Å; G848-Q853 PolarHBondContact O-NE2 3.14Å
849	L	87.6	Confident	91	Very high	47 Å²	47	29.9 Å²	29.9	25%	0.246	17%	0.167	C	C	.	.			trans	46.9	40.7	-171.2	-58.1	177.7	0	0	0	112.5	Y844 N846 A852 Q853 L890	Y844-L849 VanDerWaalsContact O-CD2 3.3Å; Y844-L849 WeakPolarHBondContact O-CD2 3.41Å; N846-L849 PolarHBondContact O-N 2.85Å; N846-L849 PolarHBondContact OD1-N 3.19Å; L849-A852 HydrophobicContact CB-CB 4.31Å; L849-A852 PolarHBondContact O-N 2.89Å; L849-Q853 WeakPolarHBondContact O-CG 3.37Å; L849-Q853 PolarHBondContact O-N 3.32Å; L849-L890 HydrophobicContact CD1-CD1 4.3Å; L849-L890 HydrophobicContact CD2-CD2 4.4Å
850	I	89.5	Confident	91.1	Very high	22 Å²	22	31.7 Å²	31.7	11%	0.113	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-50.2	-166.4	-58.7	-179.5	0	0	0	110.6	G848 A852 Q853 V854 Y983 L986 M990	G848-I850 PolarHBondContact O-N 2.93Å; I850-A852 VanDerWaalsContact C-N 3.3Å; I850-A852 PolarHBondContact O-N 3.43Å; I850-Q853 WeakPolarHBondContact O-CB 3.41Å; I850-Q853 PolarHBondContact O-N 3.49Å; I850-Q853 VanDerWaalsContact O-N 3.13Å; I850-V854 HydrophobicContact CG2-CG2 4.5Å; I850-V854 WeakPolarHBondContact O-CG2 3.31Å; I850-V854 PolarHBondContact O-N 3.11Å; I850-Y983 HydrophobicContact CB-CE2 4.46Å; I850-Y983 HydrophobicContact CG2-CD2 3.82Å; I850-Y983 HydrophobicContact CG2-CE2 3.7Å; I850-L986 HydrophobicContact CG2-CB 4.47Å; I850-M990 HydrophobicContact CD1-SD 3.69Å; I850-M990 HydrophobicContact CG1-SD 3.77Å
851	D	93.1	Very high	91.3	Very high	14 Å²	14	34.3 Å²	34.3	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-71.3	-27.9	-176.9	-63.9	-11.1	0	0	0	112.4	P841 N843 Y844 V854 D855 Y983	P841-D851 HydrophobicContact CB-CB 3.64Å; P841-D851 WeakPolarHBondContact CB-OD2 3.45Å; P841-D851 HydrophobicContact CG-CB 4.24Å; N843-D851 VanDerWaalsContact CA-OD2 3.31Å; N843-D851 WeakPolarHBondContact CA-OD2 3.25Å; N843-D851 VanDerWaalsContact CB-OD2 3.24Å; N843-D851 WeakPolarHBondContact CB-OD2 3.42Å; N843-D851 PolarHBondContact N-OD2 3.4Å; Y844-D851 HydrophobicContact CD2-CB 3.7Å; Y844-D851 HydrophobicContact CE2-CB 4.34Å; D851-V854 WeakPolarHBondContact O-CB 3.49Å; D851-V854 PolarHBondContact O-N 3.35Å; D851-D855 PolarHBondContact O-N 2.76Å; D851-Y983 WeakPolarHBondContact OD1-CD2 3.48Å; D851-Y983 WeakPolarHBondContact OD1-CE2 3.25Å
852	A	93.8	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-41.1	171.1	0	0	0	0	0	111	Y844 L849 I850 D855 Q856 L886 L890	Y844-A852 HydrophobicContact CD1-CB 3.9Å; Y844-A852 HydrophobicContact CD2-CB 4.41Å; Y844-A852 HydrophobicContact CE1-CB 3.74Å; Y844-A852 HydrophobicContact CE2-CB 4.28Å; Y844-A852 HydrophobicContact CG-CB 4.24Å; L849-A852 HydrophobicContact CB-CB 4.31Å; L849-A852 PolarHBondContact O-N 2.89Å; I850-A852 VanDerWaalsContact C-N 3.3Å; I850-A852 PolarHBondContact O-N 3.43Å; A852-D855 PolarHBondContact O-N 3.21Å; A852-Q856 WeakPolarHBondContact O-CG 3.46Å; A852-Q856 PolarHBondContact O-N 2.95Å; A852-L886 HydrophobicContact CB-CD1 3.86Å; A852-L890 HydrophobicContact CB-CD2 3.89Å
853	Q	93.3	Very high	92	Very high	85 Å²	85	27.1 Å²	27.1	40%	0.397	15%	0.15	S	C	.	.	H	α-helix	trans	-66.5	-37.1	172.5	-71.7	-179.8	69.3	0	0	112.6	G848 L849 I850 Q856 L857 L986	G848-Q853 PolarHBondContact O-NE2 3.14Å; L849-Q853 WeakPolarHBondContact O-CG 3.37Å; L849-Q853 PolarHBondContact O-N 3.32Å; I850-Q853 WeakPolarHBondContact O-CB 3.41Å; I850-Q853 PolarHBondContact O-N 3.49Å; I850-Q853 VanDerWaalsContact O-N 3.13Å; Q853-Q856 WeakPolarHBondContact O-CB 3.44Å; Q853-Q856 PolarHBondContact O-N 3.14Å; Q853-L857 PolarHBondContact O-N 3.01Å; Q853-L857 VanDerWaalsContact O-N 3.1Å; Q853-L986 HydrophobicContact CB-CD1 3.87Å
854	V	95.4	Very high	92.5	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	16%	0.164	C	C	.	.	H	α-helix	trans	-57.8	-51.3	171.3	167.1	0	0	0	0	110.4	I850 D851 Q856 L857 V858 R979 H982 Y983 L986	I850-V854 HydrophobicContact CG2-CG2 4.5Å; I850-V854 WeakPolarHBondContact O-CG2 3.31Å; I850-V854 PolarHBondContact O-N 3.11Å; D851-V854 WeakPolarHBondContact O-CB 3.49Å; D851-V854 PolarHBondContact O-N 3.35Å; V854-Q856 VanDerWaalsContact C-N 3.25Å; V854-Q856 PolarHBondContact O-N 3.42Å; V854-L857 WeakPolarHBondContact O-CA 3.46Å; V854-L857 WeakPolarHBondContact O-CB 3.2Å; V854-L857 PolarHBondContact O-N 3.48Å; V854-V858 HydrophobicContact CG1-CG2 4.43Å; V854-V858 WeakPolarHBondContact O-CG2 3.32Å; V854-V858 PolarHBondContact O-N 3.19Å; V854-R979 HydrophobicContact CG1-CB 4.02Å; V854-R979 HydrophobicContact CG1-CG 4.05Å; V854-R979 VanDerWaalsContact CG1-O 3.32Å; V854-R979 WeakPolarHBondContact CG1-O 3.16Å; V854-H982 HydrophobicContact CG1-CB 4.06Å; V854-H982 HydrophobicContact CG2-CB 4.47Å; V854-Y983 HydrophobicContact CG2-CD2 4.18Å; V854-L986 HydrophobicContact CG2-CD1 3.8Å
855	D	96.3	Very high	92.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-34.8	177.7	-86.1	8	0	0	0	112.3	Y844 D851 A852 L857 V858 L859 F889 F918 R979	Y844-D855 HydrophobicContact CE2-CB 4.22Å; Y844-D855 WeakPolarHBondContact CE2-OD2 3.32Å; Y844-D855 WeakPolarHBondContact OH-CB 3.44Å; Y844-D855 PolarHBondContact OH-OD2 3.31Å; D851-D855 PolarHBondContact O-N 2.76Å; A852-D855 PolarHBondContact O-N 3.21Å; D855-L857 VanDerWaalsContact C-N 3.34Å; D855-L857 PolarHBondContact O-N 2.89Å; D855-V858 PolarHBondContact O-N 2.98Å; D855-L859 VanDerWaalsContact O-CB 3.31Å; D855-L859 WeakPolarHBondContact O-CB 3.45Å; D855-L859 PolarHBondContact O-N 3.37Å; D855-F889 HydrophobicContact CB-CD2 3.97Å; D855-F889 HydrophobicContact CB-CE2 4.09Å; D855-F918 HydrophobicContact CB-CE1 4.37Å; D855-F918 HydrophobicContact CB-CZ 3.86Å; D855-F918 WeakPolarHBondContact O-CE1 3.28Å; D855-R979 IonicContact OD1-CZ 2.81Å; D855-R979 IonicContact OD1-NE 3.75Å; D855-R979 PolarHBondContact OD1-NE 3.31Å; D855-R979 IonicContact OD1-NH2 3.39Å; D855-R979 PolarHBondContact OD1-NH2 3Å; D855-R979 IonicContact OD2-CZ 3.11Å; D855-R979 IonicContact OD2-NE 3.9Å; D855-R979 IonicContact OD2-NH2 2.79Å; D855-R979 PolarHBondContact OD2-NH2 3.18Å
856	Q	96.6	Very high	92.9	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-34.1	172.5	-71	-41.1	-66.7	0	0	113.4	A852 Q853 V854 K860 S882 T885 L886 F889	A852-Q856 WeakPolarHBondContact O-CG 3.46Å; A852-Q856 PolarHBondContact O-N 2.95Å; Q853-Q856 WeakPolarHBondContact O-CB 3.44Å; Q853-Q856 PolarHBondContact O-N 3.14Å; V854-Q856 VanDerWaalsContact C-N 3.25Å; V854-Q856 PolarHBondContact O-N 3.42Å; Q856-K860 WeakPolarHBondContact O-CD 3.33Å; Q856-K860 WeakPolarHBondContact O-CG 3.41Å; Q856-K860 PolarHBondContact O-N 3.25Å; Q856-S882 WeakPolarHBondContact CB-OG 3.33Å; Q856-T885 PolarHBondContact NE2-O 3.41Å; Q856-T885 VanDerWaalsContact OE1-C 3.3Å; Q856-T885 PolarHBondContact OE1-OG1 2.7Å; Q856-L886 HydrophobicContact CG-CB 4.14Å; Q856-L886 HydrophobicContact CG-CD1 3.88Å; Q856-F889 VanDerWaalsContact NE2-CD2 3.33Å
857	L	96.4	Very high	93.5	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-71.8	-43.3	172.4	-65.1	-179.6	0	0	0	111.7	Q853 V854 D855 L859 K860 E861 H982 L986	Q853-L857 PolarHBondContact O-N 3.01Å; Q853-L857 VanDerWaalsContact O-N 3.1Å; V854-L857 WeakPolarHBondContact O-CA 3.46Å; V854-L857 WeakPolarHBondContact O-CB 3.2Å; V854-L857 PolarHBondContact O-N 3.48Å; D855-L857 VanDerWaalsContact C-N 3.34Å; D855-L857 PolarHBondContact O-N 2.89Å; L857-L859 VanDerWaalsContact C-N 3.3Å; L857-L859 PolarHBondContact O-N 3.46Å; L857-K860 HydrophobicContact CD2-CD 4.26Å; L857-K860 WeakPolarHBondContact O-CB 3.21Å; L857-K860 PolarHBondContact O-N 2.99Å; L857-E861 PolarHBondContact O-N 3.2Å; L857-E861 VanDerWaalsContact O-N 3.14Å; L857-H982 HydrophobicContact CB-CB 4.36Å; L857-H982 HydrophobicContact CD1-CB 4.17Å; L857-L986 HydrophobicContact CD1-CD1 3.72Å; L857-L986 HydrophobicContact CD1-CD2 4.36Å; L857-L986 HydrophobicContact CD1-CG 4.01Å
858	V	97.1	Very high	94.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-39.3	175.2	179.9	0	0	0	0	110.9	V854 D855 K860 E861 I862 F918 I975 R978 R979	V854-V858 HydrophobicContact CG1-CG2 4.43Å; V854-V858 WeakPolarHBondContact O-CG2 3.32Å; V854-V858 PolarHBondContact O-N 3.19Å; D855-V858 PolarHBondContact O-N 2.98Å; V858-K860 PolarHBondContact O-N 2.77Å; V858-E861 WeakPolarHBondContact O-CB 3.14Å; V858-E861 PolarHBondContact O-N 3.25Å; V858-I862 HydrophobicContact CG1-CD1 4.1Å; V858-I862 WeakPolarHBondContact O-CG1 3.45Å; V858-I862 PolarHBondContact O-N 2.87Å; V858-F918 HydrophobicContact CB-CE1 3.77Å; V858-F918 HydrophobicContact CB-CZ 4.12Å; V858-F918 HydrophobicContact CG1-CD1 4.39Å; V858-F918 HydrophobicContact CG1-CE1 3.69Å; V858-F918 HydrophobicContact CG1-CZ 4.01Å; V858-I975 HydrophobicContact CG1-CG2 4.48Å; V858-R978 HydrophobicContact CG1-CB 4.09Å; V858-R978 HydrophobicContact CG2-CB 3.85Å; V858-R979 HydrophobicContact CG2-CG 4.21Å
859	L	97.5	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-41.9	175.8	179.6	61.9	0	0	0	111.7	D855 L857 E861 I862 V863 T885 F889 F918 A921 V922	D855-L859 VanDerWaalsContact O-CB 3.31Å; D855-L859 WeakPolarHBondContact O-CB 3.45Å; D855-L859 PolarHBondContact O-N 3.37Å; L857-L859 VanDerWaalsContact C-N 3.3Å; L857-L859 PolarHBondContact O-N 3.46Å; L859-E861 VanDerWaalsContact C-N 3.31Å; L859-E861 PolarHBondContact O-N 2.91Å; L859-I862 PolarHBondContact O-N 2.95Å; L859-V863 HydrophobicContact CD1-CG2 4.23Å; L859-V863 HydrophobicContact CG-CG2 4.43Å; L859-V863 WeakPolarHBondContact O-CB 3.38Å; L859-V863 WeakPolarHBondContact O-CG2 3.45Å; L859-V863 PolarHBondContact O-N 3.35Å; L859-T885 HydrophobicContact CD2-CG2 4.1Å; L859-F889 HydrophobicContact CD1-CZ 4.32Å; L859-F889 HydrophobicContact CD2-CE1 4.42Å; L859-F889 HydrophobicContact CD2-CE2 4.37Å; L859-F889 HydrophobicContact CD2-CZ 3.9Å; L859-F889 HydrophobicContact CG-CZ 4.48Å; L859-F918 HydrophobicContact CB-CD1 4.03Å; L859-F918 HydrophobicContact CB-CE1 4.1Å; L859-F918 HydrophobicContact CD1-CD1 4.16Å; L859-A921 HydrophobicContact CD1-CB 3.86Å; L859-A921 HydrophobicContact CD2-CB 4.2Å; L859-V922 HydrophobicContact CD1-CG2 3.8Å
860	K	96.5	Very high	95.8	Very high	60 Å²	60	35.2 Å²	35.2	26%	0.261	16%	0.164	S	C	.	.	H	α-helix	trans	-60	-38.7	174.6	-76.2	159.2	168.3	153.9	0	112.4	Q856 L857 V858 H864 D880 I881 S882	Q856-K860 WeakPolarHBondContact O-CD 3.33Å; Q856-K860 WeakPolarHBondContact O-CG 3.41Å; Q856-K860 PolarHBondContact O-N 3.25Å; L857-K860 HydrophobicContact CD2-CD 4.26Å; L857-K860 WeakPolarHBondContact O-CB 3.21Å; L857-K860 PolarHBondContact O-N 2.99Å; V858-K860 PolarHBondContact O-N 2.77Å; K860-H864 WeakPolarHBondContact O-CB 3.43Å; K860-H864 PolarHBondContact O-N 3.48Å; K860-D880 VanDerWaalsContact CE-CG 3.5Å; K860-D880 WeakPolarHBondContact CE-OD1 3.49Å; K860-D880 IonicContact NZ-OD1 2.73Å; K860-D880 PolarHBondContact NZ-OD1 3.25Å; K860-D880 IonicContact NZ-OD2 3.8Å; K860-D880 PolarHBondContact NZ-OD2 3.45Å; K860-I881 HydrophobicContact CG-CD1 4.32Å; K860-I881 HydrophobicContact CG-CG1 4.27Å; K860-S882 WeakPolarHBondContact CE-OG 3.01Å; K860-S882 PolarHBondContact NZ-OG 3.42Å
861	E	96.5	Very high	96.2	Very high	60 Å²	60	34.6 Å²	34.6	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-65.5	-45.2	174.2	-68.7	-173.2	169.5	0	0	112.2	L857 V858 L859 V863 H864 E865 R978 H982	L857-E861 PolarHBondContact O-N 3.2Å; L857-E861 VanDerWaalsContact O-N 3.14Å; V858-E861 WeakPolarHBondContact O-CB 3.14Å; V858-E861 PolarHBondContact O-N 3.25Å; L859-E861 VanDerWaalsContact C-N 3.31Å; L859-E861 PolarHBondContact O-N 2.91Å; E861-V863 VanDerWaalsContact C-N 3.34Å; E861-V863 PolarHBondContact O-N 3.42Å; E861-H864 WeakPolarHBondContact O-CB 3.49Å; E861-H864 PolarHBondContact O-N 3.42Å; E861-H864 VanDerWaalsContact O-N 3.13Å; E861-E865 WeakPolarHBondContact O-CB 3.49Å; E861-E865 PolarHBondContact O-N 2.87Å; E861-R978 WeakPolarHBondContact OE2-CD 3.45Å; E861-R978 WeakPolarHBondContact OE2-CG 3.34Å; E861-R978 IonicContact OE2-CZ 3.17Å; E861-R978 IonicContact OE2-NE 2.79Å; E861-R978 PolarHBondContact OE2-NE 3.28Å; E861-R978 VanDerWaalsContact OE2-NE 3.1Å; E861-H982 IonicContact OE1-CD2 2.98Å; E861-H982 IonicContact OE1-CE1 2.73Å; E861-H982 IonicContact OE1-NE2 2.73Å; E861-H982 PolarHBondContact OE1-NE2 2.96Å; E861-H982 IonicContact OE2-NE2 2.72Å
862	I	97.3	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-37	179.2	-56.3	173.8	0	0	0	110.8	V858 L859 H864 E865 K866 F918 V922 F969 P970 I975	V858-I862 HydrophobicContact CG1-CD1 4.1Å; V858-I862 WeakPolarHBondContact O-CG1 3.45Å; V858-I862 PolarHBondContact O-N 2.87Å; L859-I862 PolarHBondContact O-N 2.95Å; I862-H864 VanDerWaalsContact C-N 3.34Å; I862-E865 PolarHBondContact O-N 3.45Å; I862-K866 HydrophobicContact CG2-CG 4.04Å; I862-K866 WeakPolarHBondContact O-CB 3.35Å; I862-K866 WeakPolarHBondContact O-CG 3.32Å; I862-K866 PolarHBondContact O-N 3.05Å; I862-F918 HydrophobicContact CD1-CB 4.09Å; I862-F918 HydrophobicContact CD1-CD1 3.83Å; I862-F918 HydrophobicContact CD1-CG 4.13Å; I862-V922 HydrophobicContact CB-CG2 4.37Å; I862-V922 HydrophobicContact CG2-CG2 3.87Å; I862-F969 HydrophobicContact CD1-CZ 4.37Å; I862-F969 HydrophobicContact CG2-CE2 3.9Å; I862-F969 HydrophobicContact CG2-CZ 3.91Å; I862-P970 HydrophobicContact CD1-CG 4.31Å; I862-P970 HydrophobicContact CG1-CG 4.15Å; I862-P970 HydrophobicContact CG2-CG 4.32Å; I862-I975 HydrophobicContact CD1-CD1 4.49Å; I862-I975 HydrophobicContact CD1-CG1 4.44Å
863	V	97.1	Very high	96.5	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-36.6	171.2	170.4	0	0	0	0	111.4	L859 E861 L867 L874 I881 V922 L925	L859-V863 HydrophobicContact CD1-CG2 4.23Å; L859-V863 HydrophobicContact CG-CG2 4.43Å; L859-V863 WeakPolarHBondContact O-CB 3.38Å; L859-V863 WeakPolarHBondContact O-CG2 3.45Å; L859-V863 PolarHBondContact O-N 3.35Å; E861-V863 VanDerWaalsContact C-N 3.34Å; E861-V863 PolarHBondContact O-N 3.42Å; V863-L867 HydrophobicContact CG1-CB 4.4Å; V863-L867 HydrophobicContact CG1-CD1 4.49Å; V863-L867 CarbonylContact O-C 3.45Å; V863-L867 VanDerWaalsContact O-C 3.25Å; V863-L867 VanDerWaalsContact O-CA 3.28Å; V863-L867 WeakPolarHBondContact O-CA 3.43Å; V863-L867 WeakPolarHBondContact O-CB 3.31Å; V863-L867 PolarHBondContact O-N 3.02Å; V863-L874 HydrophobicContact CG1-CD1 4.38Å; V863-I881 HydrophobicContact CG2-CD1 4.1Å; V863-V922 HydrophobicContact CG2-CG2 3.98Å; V863-L925 HydrophobicContact CG2-CD1 3.74Å
864	H	96.5	Very high	96.5	Very high	91 Å²	91	34.3 Å²	34.3	42%	0.421	17%	0.168	S	C	.	.	H	α-helix	trans	-66.7	-42.1	173.7	-168.9	53.2	0	0	0	112.4	K860 E861 I862 P868 S871	K860-H864 WeakPolarHBondContact O-CB 3.43Å; K860-H864 PolarHBondContact O-N 3.48Å; E861-H864 WeakPolarHBondContact O-CB 3.49Å; E861-H864 PolarHBondContact O-N 3.42Å; E861-H864 VanDerWaalsContact O-N 3.13Å; I862-H864 VanDerWaalsContact C-N 3.34Å; H864-P868 WeakPolarHBondContact O-CA 3.2Å; H864-S871 WeakPolarHBondContact CA-OG 3.44Å; H864-S871 PolarHBondContact ND1-OG 3.25Å
865	E	95.6	Very high	96.4	Very high	77 Å²	77	41 Å²	41	36%	0.36	20%	0.197	S	C	.	.	H	α-helix	trans	-69.8	-41	-179.8	-167.2	-166.4	122.4	0	0	112.8	E861 I862 R978	E861-E865 WeakPolarHBondContact O-CB 3.49Å; E861-E865 PolarHBondContact O-N 2.87Å; I862-E865 PolarHBondContact O-N 3.45Å; E865-R978 IonicContact OE2-CZ 2.65Å; E865-R978 VanDerWaalsContact OE2-CZ 3.32Å; E865-R978 IonicContact OE2-NH1 3.08Å; E865-R978 PolarHBondContact OE2-NH1 2.87Å; E865-R978 IonicContact OE2-NH2 3.98Å; E865-R978 PolarHBondContact OE2-NH2 2.99Å
866	K	95.8	Very high	96.3	Very high	44 Å²	44	47.9 Å²	47.9	19%	0.191	22%	0.223	C	C	.	.	H	α-helix	trans	-98.7	-28.8	-174.2	-59.7	-44.6	-168.4	-153.9	0	114.7	I862 V922 L966 P968	I862-K866 HydrophobicContact CG2-CG 4.04Å; I862-K866 WeakPolarHBondContact O-CB 3.35Å; I862-K866 WeakPolarHBondContact O-CG 3.32Å; I862-K866 PolarHBondContact O-N 3.05Å; K866-V922 HydrophobicContact CB-CG1 4.04Å; K866-V922 HydrophobicContact CG-CG1 4.44Å; K866-L966 HydrophobicContact CB-CD2 4.27Å; K866-P968 VanDerWaalsContact CE-O 3.27Å; K866-P968 WeakPolarHBondContact CE-O 3.39Å; K866-P968 PolarHBondContact NZ-O 2.88Å
867	L	96.7	Very high	96	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.228	C	C	.	.			trans	-127	53.2	-176	-50.5	175.3	0	0	0	110.9	V863 R869 L870 S871 V922 L925 K926	V863-L867 HydrophobicContact CG1-CB 4.4Å; V863-L867 HydrophobicContact CG1-CD1 4.49Å; V863-L867 CarbonylContact O-C 3.45Å; V863-L867 VanDerWaalsContact O-C 3.25Å; V863-L867 VanDerWaalsContact O-CA 3.28Å; V863-L867 WeakPolarHBondContact O-CA 3.43Å; V863-L867 WeakPolarHBondContact O-CB 3.31Å; V863-L867 PolarHBondContact O-N 3.02Å; L867-R869 VanDerWaalsContact C-N 3.26Å; L867-R869 PolarHBondContact O-N 2.78Å; L867-R869 VanDerWaalsContact O-N 3.13Å; L867-L870 HydrophobicContact CB-CB 4.04Å; L867-L870 HydrophobicContact CD1-CD2 4.04Å; L867-L870 PolarHBondContact O-N 3.03Å; L867-S871 PolarHBondContact O-N 2.83Å; L867-V922 HydrophobicContact CD1-CG1 4.14Å; L867-V922 HydrophobicContact CG-CG1 4.31Å; L867-L925 HydrophobicContact CD1-CB 3.56Å; L867-K926 HydrophobicContact CD2-CB 3.89Å; L867-K926 HydrophobicContact CD2-CD 3.53Å; L867-K926 HydrophobicContact CD2-CG 4.29Å
868	P	97.1	Very high	95.7	Very high	68 Å²	68	49.4 Å²	49.4	44%	0.442	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-34	-170.3	22.1	-33.8	0	0	0	113.4	H864 S872	H864-P868 WeakPolarHBondContact O-CA 3.2Å; P868-S872 WeakPolarHBondContact O-CB 3.48Å; P868-S872 PolarHBondContact O-N 3.46Å; P868-S872 PolarHBondContact O-OG 2.99Å
869	R	97.6	Very high	95.4	Very high	156 Å²	156	50.2 Å²	50.2	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-59	-51.2	172.7	-70.9	176.3	72.3	-147.9	1.5	111.1	L867 S872 H873 D930 L933	L867-R869 VanDerWaalsContact C-N 3.26Å; L867-R869 PolarHBondContact O-N 2.78Å; L867-R869 VanDerWaalsContact O-N 3.13Å; R869-S872 PolarHBondContact O-N 3.39Å; R869-H873 WeakPolarHBondContact O-CB 3.44Å; R869-H873 PolarHBondContact O-N 2.89Å; R869-D930 IonicContact NH1-OD1 3.11Å; R869-D930 PolarHBondContact NH1-OD1 3.49Å; R869-L933 HydrophobicContact CB-CD1 3.96Å; R869-L933 HydrophobicContact CB-CD2 4.22Å
870	L	96.8	Very high	95	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-42	179.6	-172.5	63.6	0	0	0	111.6	L867 S872 H873 L874 L925 Q929 L932 L933 F941	L867-L870 HydrophobicContact CB-CB 4.04Å; L867-L870 HydrophobicContact CD1-CD2 4.04Å; L867-L870 PolarHBondContact O-N 3.03Å; L870-S872 VanDerWaalsContact C-N 3.28Å; L870-S872 PolarHBondContact O-N 3.04Å; L870-H873 PolarHBondContact O-N 3.47Å; L870-L874 HydrophobicContact CG-CD1 4.14Å; L870-L874 HydrophobicContact CG-CG 4.46Å; L870-L874 WeakPolarHBondContact O-CB 3.34Å; L870-L874 VanDerWaalsContact O-CG 3.26Å; L870-L874 WeakPolarHBondContact O-CG 3.37Å; L870-L874 PolarHBondContact O-N 3.3Å; L870-L925 HydrophobicContact CD2-CB 4.09Å; L870-L925 HydrophobicContact CD2-CD2 4.31Å; L870-Q929 HydrophobicContact CB-CG 4.22Å; L870-L932 HydrophobicContact CD1-CB 3.81Å; L870-L932 HydrophobicContact CD2-CD1 4.45Å; L870-L933 HydrophobicContact CD1-CD2 4.38Å; L870-L933 HydrophobicContact CD1-CG 4.46Å; L870-F941 HydrophobicContact CD1-CE2 4.08Å; L870-F941 HydrophobicContact CD1-CZ 4.36Å
871	S	96.6	Very high	94.8	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-39.6	173.9	-177.1	0	0	0	0	112.6	H864 L867 K875	H864-S871 WeakPolarHBondContact CA-OG 3.44Å; H864-S871 PolarHBondContact ND1-OG 3.25Å; L867-S871 PolarHBondContact O-N 2.83Å; S871-K875 VanDerWaalsContact O-CG 3.32Å; S871-K875 WeakPolarHBondContact O-CG 3.36Å; S871-K875 PolarHBondContact O-N 3.34Å; S871-K875 VanDerWaalsContact O-N 3.14Å
872	S	96.4	Very high	94.6	Very high	68 Å²	68	49.2 Å²	49.2	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-72.1	-37.8	177.2	-53.7	0	0	0	0	111.7	P868 R869 L870 K875 R876	P868-S872 WeakPolarHBondContact O-CB 3.48Å; P868-S872 PolarHBondContact O-N 3.46Å; P868-S872 PolarHBondContact O-OG 2.99Å; R869-S872 PolarHBondContact O-N 3.39Å; L870-S872 VanDerWaalsContact C-N 3.28Å; L870-S872 PolarHBondContact O-N 3.04Å; S872-K875 PolarHBondContact O-N 2.82Å; S872-R876 WeakPolarHBondContact O-CB 3.37Å; S872-R876 PolarHBondContact O-N 2.83Å
873	H	96.5	Very high	94.1	Very high	16 Å²	16	52.8 Å²	52.8	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-43.3	175	-175.3	123.7	0	0	0	112.1	R869 L870 K875 R876 L877 L933 Q935	R869-H873 WeakPolarHBondContact O-CB 3.44Å; R869-H873 PolarHBondContact O-N 2.89Å; L870-H873 PolarHBondContact O-N 3.47Å; H873-K875 PolarHBondContact O-N 3.19Å; H873-R876 PolarHBondContact CE1-NH2 3.38Å; H873-R876 PolarHBondContact NE2-NH2 3.47Å; H873-R876 WeakPolarHBondContact O-CB 3.26Å; H873-R876 PolarHBondContact O-N 3.43Å; H873-L877 VanDerWaalsContact NE2-CD1 3.27Å; H873-L877 WeakPolarHBondContact NE2-CD1 3.45Å; H873-L877 PolarHBondContact O-N 3.2Å; H873-L933 HydrophobicContact CB-CD2 3.59Å; H873-L933 PolarHBondContact CE1-O 3.1Å; H873-L933 PolarHBondContact ND1-O 2.99Å; H873-Q935 PolarHBondContact CE1-O 3.08Å; H873-Q935 PolarHBondContact NE2-O 3.01Å
874	L	94.1	Very high	93.7	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-57.5	-48.2	173.8	-75.9	164.4	0	0	0	111.1	V863 L870 R876 L877 G878 I879 I881 F941	V863-L874 HydrophobicContact CG1-CD1 4.38Å; L870-L874 HydrophobicContact CG-CD1 4.14Å; L870-L874 HydrophobicContact CG-CG 4.46Å; L870-L874 WeakPolarHBondContact O-CB 3.34Å; L870-L874 VanDerWaalsContact O-CG 3.26Å; L870-L874 WeakPolarHBondContact O-CG 3.37Å; L870-L874 PolarHBondContact O-N 3.3Å; L874-R876 PolarHBondContact O-N 3.18Å; L874-L877 CarbonylContact O-C 3.58Å; L874-L877 PolarHBondContact O-N 2.72Å; L874-G878 PolarHBondContact O-N 3.49Å; L874-I879 HydrophobicContact CD2-CB 3.74Å; L874-I879 HydrophobicContact CD2-CG2 3.52Å; L874-I879 PolarHBondContact O-N 3.26Å; L874-I881 HydrophobicContact CD1-CG2 3.57Å; L874-I881 HydrophobicContact CD2-CG2 3.52Å; L874-I881 HydrophobicContact CG-CG2 4.19Å; L874-F941 HydrophobicContact CD2-CE1 3.72Å; L874-F941 HydrophobicContact CD2-CE2 4.08Å; L874-F941 HydrophobicContact CD2-CZ 3.4Å; L874-F941 VanDerWaalsContact CD2-CZ 3.4Å; L874-F941 HydrophobicContact CG-CZ 4.29Å
875	K	93.7	Very high	93.5	Very high	143 Å²	143	49.8 Å²	49.8	62%	0.622	27%	0.269	S	S	*	.	H	α-helix	trans	-59.6	-42.2	174.3	-71.9	174.2	-177.9	-178.8	0	112.2	S871 S872 H873 L877 G878	S871-K875 VanDerWaalsContact O-CG 3.32Å; S871-K875 WeakPolarHBondContact O-CG 3.36Å; S871-K875 PolarHBondContact O-N 3.34Å; S871-K875 VanDerWaalsContact O-N 3.14Å; S872-K875 PolarHBondContact O-N 2.82Å; H873-K875 PolarHBondContact O-N 3.19Å; K875-L877 VanDerWaalsContact C-N 3.32Å; K875-L877 PolarHBondContact O-N 2.91Å; K875-G878 PolarHBondContact O-N 3.36Å
876	R	94.4	Very high	93.4	Very high	145 Å²	145	48.4 Å²	48.4	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-37.1	175.7	179.3	-166	66.8	85.7	-1	112.7	S872 H873 L874 Q935	S872-R876 WeakPolarHBondContact O-CB 3.37Å; S872-R876 PolarHBondContact O-N 2.83Å; H873-R876 PolarHBondContact CE1-NH2 3.38Å; H873-R876 PolarHBondContact NE2-NH2 3.47Å; H873-R876 WeakPolarHBondContact O-CB 3.26Å; H873-R876 PolarHBondContact O-N 3.43Å; L874-R876 PolarHBondContact O-N 3.18Å; R876-Q935 PolarHBondContact NH2-O 2.86Å
877	L	90.8	Very high	93.2	Very high	26 Å²	26	50 Å²	50	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-87	-3.8	178.1	-68.7	-173.1	0	0	0	114.2	H873 L874 K875 I879 S936 T938 F941	H873-L877 VanDerWaalsContact NE2-CD1 3.27Å; H873-L877 WeakPolarHBondContact NE2-CD1 3.45Å; H873-L877 PolarHBondContact O-N 3.2Å; L874-L877 CarbonylContact O-C 3.58Å; L874-L877 PolarHBondContact O-N 2.72Å; K875-L877 VanDerWaalsContact C-N 3.32Å; K875-L877 PolarHBondContact O-N 2.91Å; L877-I879 HydrophobicContact CB-CD1 3.64Å; L877-I879 HydrophobicContact CB-CG1 3.65Å; L877-I879 HydrophobicContact CD1-CD1 3.63Å; L877-I879 HydrophobicContact CG-CD1 4.3Å; L877-I879 PolarHBondContact O-N 2.88Å; L877-S936 VanDerWaalsContact CD2-O 3.28Å; L877-S936 WeakPolarHBondContact CD2-O 3.42Å; L877-T938 HydrophobicContact CB-CG2 4.26Å; L877-T938 VanDerWaalsContact O-CG2 3.25Å; L877-T938 WeakPolarHBondContact O-CG2 3.31Å; L877-F941 HydrophobicContact CD1-CB 4.26Å; L877-F941 HydrophobicContact CD1-CD2 4.26Å; L877-F941 HydrophobicContact CD1-CG 4.47Å
878	G	89.8	Confident	93.1	Very high	63 Å²	63	50.1 Å²	50.1	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	22.3	-173.3	0	0	0	0	0	113.9	L874 K875	L874-G878 PolarHBondContact O-N 3.49Å; K875-G878 PolarHBondContact O-N 3.36Å
879	I	89.4	Confident	93	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.087	25%	0.254	C	S	.	.			trans	-88.4	117.1	-174	-63.3	177.9	0	0	0	110.7	L874 L877 T938 F941 W942	L874-I879 HydrophobicContact CD2-CB 3.74Å; L874-I879 HydrophobicContact CD2-CG2 3.52Å; L874-I879 PolarHBondContact O-N 3.26Å; L877-I879 HydrophobicContact CB-CD1 3.64Å; L877-I879 HydrophobicContact CB-CG1 3.65Å; L877-I879 HydrophobicContact CD1-CD1 3.63Å; L877-I879 HydrophobicContact CG-CD1 4.3Å; L877-I879 PolarHBondContact O-N 2.88Å; I879-T938 HydrophobicContact CD1-CG2 4.08Å; I879-T938 HydrophobicContact CG1-CG2 3.81Å; I879-F941 HydrophobicContact CD1-CB 3.64Å; I879-F941 HydrophobicContact CD1-CD1 3.44Å; I879-F941 VanDerWaalsContact CD1-CD1 3.44Å; I879-F941 HydrophobicContact CD1-CD2 4.11Å; I879-F941 HydrophobicContact CD1-CE1 4.14Å; I879-F941 HydrophobicContact CD1-CG 3.44Å; I879-F941 VanDerWaalsContact CD1-CG 3.44Å; I879-F941 HydrophobicContact CG2-CD1 4.22Å; I879-F941 HydrophobicContact CG2-CE1 4.12Å; I879-W942 HydrophobicContact CG2-CH2 3.78Å; I879-W942 HydrophobicContact CG2-CZ2 3.6Å; I879-W942 HydrophobicContact CG2-CZ3 4.43Å
880	D	90.3	Very high	92.8	Very high	76 Å²	76	40.5 Å²	40.5	41%	0.406	23%	0.231	S	C	.	.			trans	-90	105.7	164.8	-168.2	-23.7	0	0	0	110.8	K860 S882 A883 W942	K860-D880 VanDerWaalsContact CE-CG 3.5Å; K860-D880 WeakPolarHBondContact CE-OD1 3.49Å; K860-D880 IonicContact NZ-OD1 2.73Å; K860-D880 PolarHBondContact NZ-OD1 3.25Å; K860-D880 IonicContact NZ-OD2 3.8Å; K860-D880 PolarHBondContact NZ-OD2 3.45Å; D880-S882 PolarHBondContact O-N 3.3Å; D880-S882 VanDerWaalsContact O-N 3.11Å; D880-S882 WeakPolarHBondContact OD1-CB 3.47Å; D880-S882 PolarHBondContact OD1-N 2.88Å; D880-S882 PolarHBondContact OD1-OG 3.5Å; D880-S882 VanDerWaalsContact OD1-OG 3.14Å; D880-A883 WeakPolarHBondContact O-CB 3.47Å; D880-A883 PolarHBondContact O-N 2.79Å; D880-W942 WeakPolarHBondContact O-CH2 3.35Å
881	I	91.9	Very high	92.6	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.1	177.4	59.2	174.1	0	0	0	113.8	K860 V863 L874 A883 V884 T885	K860-I881 HydrophobicContact CG-CD1 4.32Å; K860-I881 HydrophobicContact CG-CG1 4.27Å; V863-I881 HydrophobicContact CG2-CD1 4.1Å; L874-I881 HydrophobicContact CD1-CG2 3.57Å; L874-I881 HydrophobicContact CD2-CG2 3.52Å; L874-I881 HydrophobicContact CG-CG2 4.19Å; I881-A883 PolarHBondContact O-N 3.42Å; I881-A883 VanDerWaalsContact O-N 3.13Å; I881-V884 PolarHBondContact O-N 2.93Å; I881-T885 HydrophobicContact CB-CG2 4.31Å; I881-T885 PolarHBondContact O-N 2.77Å; I881-T885 PolarHBondContact O-OG1 3Å; I881-T885 VanDerWaalsContact O-OG1 3.12Å
882	S	91.4	Very high	92.6	Very high	17 Å²	17	40.1 Å²	40.1	12%	0.119	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-20.2	-178.8	-57.4	0	0	0	0	113.3	Q856 K860 D880 V884 T885 L886	Q856-S882 WeakPolarHBondContact CB-OG 3.33Å; K860-S882 WeakPolarHBondContact CE-OG 3.01Å; K860-S882 PolarHBondContact NZ-OG 3.42Å; D880-S882 PolarHBondContact O-N 3.3Å; D880-S882 VanDerWaalsContact O-N 3.11Å; D880-S882 WeakPolarHBondContact OD1-CB 3.47Å; D880-S882 PolarHBondContact OD1-N 2.88Å; D880-S882 PolarHBondContact OD1-OG 3.5Å; D880-S882 VanDerWaalsContact OD1-OG 3.14Å; S882-V884 PolarHBondContact O-N 3.32Å; S882-V884 VanDerWaalsContact O-N 3.15Å; S882-T885 WeakPolarHBondContact CA-OG1 3.43Å; S882-L886 WeakPolarHBondContact O-CB 3.29Å; S882-L886 PolarHBondContact O-N 3.31Å
883	A	88.1	Confident	92.5	Very high	76 Å²	76	36.9 Å²	36.9	63%	0.628	21%	0.206	S	C	*	.	H	α-helix	trans	-61.6	-16	170.5	0	0	0	0	0	113.8	D880 I881 W942	D880-A883 WeakPolarHBondContact O-CB 3.47Å; D880-A883 PolarHBondContact O-N 2.79Å; I881-A883 PolarHBondContact O-N 3.42Å; I881-A883 VanDerWaalsContact O-N 3.13Å; A883-W942 HydrophobicContact CB-CH2 4.01Å; A883-W942 HydrophobicContact CB-CZ2 4.19Å
884	V	88.5	Confident	92.3	Very high	29 Å²	29	37.6 Å²	37.6	18%	0.176	21%	0.208	C	C	.	.	H	α-helix	trans	-121.7	-43.1	174.4	170.2	0	0	0	0	111.5	I881 S882 L886 N887 W888 W942	I881-V884 PolarHBondContact O-N 2.93Å; S882-V884 PolarHBondContact O-N 3.32Å; S882-V884 VanDerWaalsContact O-N 3.15Å; V884-L886 PolarHBondContact O-N 2.64Å; V884-N887 PolarHBondContact O-N 3.28Å; V884-W888 HydrophobicContact CG1-CZ2 3.86Å; V884-W942 HydrophobicContact CB-CZ3 3.94Å; V884-W942 HydrophobicContact CG2-CE3 3.79Å; V884-W942 HydrophobicContact CG2-CH2 4.1Å; V884-W942 HydrophobicContact CG2-CZ3 3.38Å
885	T	93.3	Very high	92	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.9	-13.3	-175	58.2	0	0	0	0	114.3	Q856 L859 I881 S882 W888 F889	Q856-T885 PolarHBondContact NE2-O 3.41Å; Q856-T885 VanDerWaalsContact OE1-C 3.3Å; Q856-T885 PolarHBondContact OE1-OG1 2.7Å; L859-T885 HydrophobicContact CD2-CG2 4.1Å; I881-T885 HydrophobicContact CB-CG2 4.31Å; I881-T885 PolarHBondContact O-N 2.77Å; I881-T885 PolarHBondContact O-OG1 3Å; I881-T885 VanDerWaalsContact O-OG1 3.12Å; S882-T885 WeakPolarHBondContact CA-OG1 3.43Å; T885-W888 HydrophobicContact CG2-CD2 4Å; T885-W888 HydrophobicContact CG2-CE3 3.71Å; T885-W888 HydrophobicContact CG2-CH2 3.89Å; T885-W888 HydrophobicContact CG2-CZ2 4.15Å; T885-W888 HydrophobicContact CG2-CZ3 3.67Å; T885-W888 PolarHBondContact O-N 2.9Å; T885-F889 PolarHBondContact O-N 2.58Å
886	L	93.1	Very high	91.8	Very high	48 Å²	48	35.3 Å²	35.3	25%	0.251	20%	0.203	S	C	.	.	H	α-helix	trans	-64.9	-41.6	170.2	-179.6	62.7	0	0	0	111.7	A852 Q856 S882 V884 W888 F889 L890	A852-L886 HydrophobicContact CB-CD1 3.86Å; Q856-L886 HydrophobicContact CG-CB 4.14Å; Q856-L886 HydrophobicContact CG-CD1 3.88Å; S882-L886 WeakPolarHBondContact O-CB 3.29Å; S882-L886 PolarHBondContact O-N 3.31Å; V884-L886 PolarHBondContact O-N 2.64Å; L886-W888 VanDerWaalsContact C-N 3.33Å; L886-W888 PolarHBondContact O-N 3.1Å; L886-F889 PolarHBondContact O-N 2.78Å; L886-L890 HydrophobicContact CD1-CD1 3.93Å; L886-L890 HydrophobicContact CD1-CG 4.03Å; L886-L890 HydrophobicContact CD2-CD1 4.32Å; L886-L890 HydrophobicContact CG-CD1 3.77Å; L886-L890 HydrophobicContact CG-CG 4.25Å; L886-L890 WeakPolarHBondContact O-CG 3.47Å; L886-L890 PolarHBondContact O-N 2.68Å
887	N	91.1	Very high	91.7	Very high	77 Å²	77	29 Å²	29	41%	0.412	18%	0.181	S	C	.	.	H	α-helix	trans	-67.1	-35.6	177.1	-171.1	79.2	0	0	0	111.8	V884 F889 A891	V884-N887 PolarHBondContact O-N 3.28Å; N887-F889 PolarHBondContact O-N 2.72Å; N887-A891 WeakPolarHBondContact O-CB 3.48Å; N887-A891 PolarHBondContact O-N 2.77Å
888	W	94.8	Very high	91.5	Very high	4 Å²	4	29 Å²	29	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-31.7	176.2	-58.8	1.9	0	0	0	111.9	V884 T885 L886 V892 F893 S896 A921 I924 L945 T949	V884-W888 HydrophobicContact CG1-CZ2 3.86Å; T885-W888 HydrophobicContact CG2-CD2 4Å; T885-W888 HydrophobicContact CG2-CE3 3.71Å; T885-W888 HydrophobicContact CG2-CH2 3.89Å; T885-W888 HydrophobicContact CG2-CZ2 4.15Å; T885-W888 HydrophobicContact CG2-CZ3 3.67Å; T885-W888 PolarHBondContact O-N 2.9Å; L886-W888 VanDerWaalsContact C-N 3.33Å; L886-W888 PolarHBondContact O-N 3.1Å; W888-V892 CarbonylContact O-C 3.52Å; W888-V892 PolarHBondContact O-N 3.07Å; W888-F893 HydrophobicContact CB-CD1 3.96Å; W888-F893 HydrophobicContact CB-CE1 3.82Å; W888-F893 HydrophobicContact CB-CG 4.44Å; W888-F893 HydrophobicContact CB-CZ 4.18Å; W888-F893 HydrophobicContact CD2-CD1 4.43Å; W888-F893 AromaticContact CD2-CE1 3.96Å; W888-F893 HydrophobicContact CD2-CE1 3.96Å; W888-F893 HydrophobicContact CE3-CD1 4.5Å; W888-F893 AromaticContact CE3-CE1 3.62Å; W888-F893 HydrophobicContact CE3-CE1 3.62Å; W888-F893 HydrophobicContact CE3-CZ 4.23Å; W888-F893 HydrophobicContact CG-CD1 4.21Å; W888-F893 HydrophobicContact CG-CE1 4.07Å; W888-F893 HydrophobicContact CZ3-CE1 4.5Å; W888-F893 PolarHBondContact O-N 2.93Å; W888-S896 VanDerWaalsContact CD1-CB 3.45Å; W888-S896 VanDerWaalsContact CD1-OG 3.26Å; W888-A921 HydrophobicContact CE3-CB 3.87Å; W888-A921 HydrophobicContact CZ3-CB 3.97Å; W888-I924 HydrophobicContact CH2-CG2 4.26Å; W888-L945 HydrophobicContact CH2-CD1 4.32Å; W888-L945 HydrophobicContact CZ2-CD1 4.48Å; W888-T949 HydrophobicContact CH2-CG2 3.78Å; W888-T949 HydrophobicContact CZ2-CG2 3.35Å
889	F	95.3	Very high	91.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-90.4	-46.7	179.5	-71.8	11.3	0	0	0	111.5	Y844 D855 Q856 L859 T885 L886 N887 A891 V892 F893 L917 F918 A921	Y844-F889 HydrophobicContact CE1-CB 4.44Å; Y844-F889 WeakPolarHBondContact OH-CD2 3.46Å; D855-F889 HydrophobicContact CB-CD2 3.97Å; D855-F889 HydrophobicContact CB-CE2 4.09Å; Q856-F889 VanDerWaalsContact NE2-CD2 3.33Å; L859-F889 HydrophobicContact CD1-CZ 4.32Å; L859-F889 HydrophobicContact CD2-CE1 4.42Å; L859-F889 HydrophobicContact CD2-CE2 4.37Å; L859-F889 HydrophobicContact CD2-CZ 3.9Å; L859-F889 HydrophobicContact CG-CZ 4.48Å; T885-F889 PolarHBondContact O-N 2.58Å; L886-F889 PolarHBondContact O-N 2.78Å; N887-F889 PolarHBondContact O-N 2.72Å; F889-A891 VanDerWaalsContact C-N 3.25Å; F889-A891 PolarHBondContact O-N 3.3Å; F889-V892 PolarHBondContact O-N 3.47Å; F889-F893 HydrophobicContact CD1-CE2 4.49Å; F889-F893 HydrophobicContact CE1-CZ 4.34Å; F889-L917 HydrophobicContact CD1-CB 3.84Å; F889-L917 HydrophobicContact CD1-CD1 4.48Å; F889-L917 HydrophobicContact CE1-CB 3.63Å; F889-L917 WeakPolarHBondContact CE1-O 3.3Å; F889-L917 HydrophobicContact CE2-CB 4.47Å; F889-L917 HydrophobicContact CG-CB 4.36Å; F889-L917 HydrophobicContact CG-CD1 4.36Å; F889-L917 HydrophobicContact CZ-CB 3.97Å; F889-F918 HydrophobicContact CE2-CD1 4.11Å; F889-F918 AromaticContact CE2-CE1 3.95Å; F889-F918 HydrophobicContact CE2-CE1 3.95Å; F889-F918 HydrophobicContact CE2-CG 4.49Å; F889-F918 HydrophobicContact CE2-CZ 4.19Å; F889-F918 HydrophobicContact CZ-CD1 4.07Å; F889-F918 HydrophobicContact CZ-CE1 4.38Å; F889-F918 HydrophobicContact CZ-CG 4.26Å; F889-A921 HydrophobicContact CE1-CB 3.93Å; F889-A921 HydrophobicContact CZ-CB 4.31Å
890	L	92.7	Very high	91.3	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.115	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-28.2	179	-70.6	177	0	0	0	114	Y844 F845 L849 A852 L886	Y844-L890 HydrophobicContact CD1-CD2 4.01Å; Y844-L890 HydrophobicContact CE1-CD2 4.13Å; F845-L890 HydrophobicContact CD1-CD2 4.28Å; F845-L890 HydrophobicContact CE1-CB 4.45Å; F845-L890 HydrophobicContact CE1-CD2 3.84Å; F845-L890 HydrophobicContact CZ-CD2 4.07Å; F845-L890 WeakPolarHBondContact CZ-O 3.45Å; L849-L890 HydrophobicContact CD1-CD1 4.3Å; L849-L890 HydrophobicContact CD2-CD2 4.4Å; A852-L890 HydrophobicContact CB-CD2 3.89Å; L886-L890 HydrophobicContact CD1-CD1 3.93Å; L886-L890 HydrophobicContact CD1-CG 4.03Å; L886-L890 HydrophobicContact CD2-CD1 4.32Å; L886-L890 HydrophobicContact CG-CD1 3.77Å; L886-L890 HydrophobicContact CG-CG 4.25Å; L886-L890 WeakPolarHBondContact O-CG 3.47Å; L886-L890 PolarHBondContact O-N 2.68Å
891	A	92.8	Very high	91.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	13.3	178.5	0	0	0	0	0	113.1	F814 N887 F889 F893 Y894	F814-A891 HydrophobicContact CB-CB 4.42Å; F814-A891 HydrophobicContact CD2-CB 4.27Å; N887-A891 WeakPolarHBondContact O-CB 3.48Å; N887-A891 PolarHBondContact O-N 2.77Å; F889-A891 VanDerWaalsContact C-N 3.25Å; F889-A891 PolarHBondContact O-N 3.3Å; A891-F893 VanDerWaalsContact C-N 3.3Å; A891-F893 PolarHBondContact O-N 2.83Å; A891-Y894 VanDerWaalsContact O-CB 3.25Å; A891-Y894 WeakPolarHBondContact O-CB 3.48Å; A891-Y894 PolarHBondContact O-N 3.45Å
892	V	95.4	Very high	91.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	53.3	-178.8	-164.3	0	0	0	0	111.5	I815 I835 W888 F889 Y894 L902 W906 F909 L917	I815-V892 HydrophobicContact CD1-CG2 4.09Å; I815-V892 HydrophobicContact CG1-CG2 4.12Å; I835-V892 HydrophobicContact CG2-CG2 4.35Å; W888-V892 CarbonylContact O-C 3.52Å; W888-V892 PolarHBondContact O-N 3.07Å; F889-V892 PolarHBondContact O-N 3.47Å; V892-Y894 VanDerWaalsContact C-N 3.32Å; V892-Y894 PolarHBondContact O-N 3.23Å; V892-L902 WeakPolarHBondContact O-CD1 3.11Å; V892-W906 HydrophobicContact CB-CZ2 4.07Å; V892-W906 HydrophobicContact CG1-CZ2 4.29Å; V892-W906 VanDerWaalsContact CG1-NE1 3.31Å; V892-W906 PolarHBondContact O-NE1 3.42Å; V892-W906 VanDerWaalsContact O-NE1 3.12Å; V892-F909 HydrophobicContact CG1-CD1 3.64Å; V892-F909 HydrophobicContact CG1-CE1 3.62Å; V892-F909 HydrophobicContact CG1-CG 4.21Å; V892-F909 HydrophobicContact CG1-CZ 4.21Å; V892-F909 HydrophobicContact CG2-CE1 4.15Å; V892-F909 HydrophobicContact CG2-CZ 4.37Å; V892-L917 HydrophobicContact CG1-CD2 4.03Å
893	F	95.3	Very high	91.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	4.1	-176.4	-69.6	-93.2	0	0	0	118.2	W888 F889 A891 S896 V897 L902 I905 L917 F920 A921 I924	W888-F893 HydrophobicContact CB-CD1 3.96Å; W888-F893 HydrophobicContact CB-CE1 3.82Å; W888-F893 HydrophobicContact CB-CG 4.44Å; W888-F893 HydrophobicContact CB-CZ 4.18Å; W888-F893 HydrophobicContact CD2-CD1 4.43Å; W888-F893 AromaticContact CD2-CE1 3.96Å; W888-F893 HydrophobicContact CD2-CE1 3.96Å; W888-F893 HydrophobicContact CE3-CD1 4.5Å; W888-F893 AromaticContact CE3-CE1 3.62Å; W888-F893 HydrophobicContact CE3-CE1 3.62Å; W888-F893 HydrophobicContact CE3-CZ 4.23Å; W888-F893 HydrophobicContact CG-CD1 4.21Å; W888-F893 HydrophobicContact CG-CE1 4.07Å; W888-F893 HydrophobicContact CZ3-CE1 4.5Å; W888-F893 PolarHBondContact O-N 2.93Å; F889-F893 HydrophobicContact CD1-CE2 4.49Å; F889-F893 HydrophobicContact CE1-CZ 4.34Å; A891-F893 VanDerWaalsContact C-N 3.3Å; A891-F893 PolarHBondContact O-N 2.83Å; F893-S896 VanDerWaalsContact O-CB 3.25Å; F893-S896 WeakPolarHBondContact O-CB 3.41Å; F893-S896 PolarHBondContact O-N 2.75Å; F893-S896 VanDerWaalsContact O-N 3.16Å; F893-V897 HydrophobicContact CB-CG2 4.06Å; F893-V897 HydrophobicContact CD1-CG1 4.21Å; F893-V897 PolarHBondContact O-N 3.49Å; F893-L902 HydrophobicContact CB-CD1 3.96Å; F893-I905 HydrophobicContact CB-CD1 4.13Å; F893-I905 HydrophobicContact CD1-CD1 4.24Å; F893-I905 HydrophobicContact CD2-CD1 4.23Å; F893-I905 HydrophobicContact CD2-CG2 3.97Å; F893-I905 HydrophobicContact CG-CD1 3.94Å; F893-L917 HydrophobicContact CD2-CD2 4.1Å; F893-L917 HydrophobicContact CE2-CB 4.29Å; F893-L917 HydrophobicContact CE2-CD2 3.89Å; F893-F920 HydrophobicContact CE2-CB 4.31Å; F893-F920 HydrophobicContact CZ-CB 4.04Å; F893-A921 HydrophobicContact CZ-CB 4.11Å; F893-I924 HydrophobicContact CD1-CD1 4.23Å; F893-I924 HydrophobicContact CE1-CD1 3.8Å
894	Y	93.1	Very high	91.9	Very high	30 Å²	30	23.7 Å²	23.7	12%	0.118	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	146	174.5	178.7	-91	0	0	0	112.8	M775 F814 V818 A891 V892 S896 L902	M775-Y894 HydrophobicContact CE-CD2 4.01Å; M775-Y894 HydrophobicContact CE-CE2 3.67Å; M775-Y894 HydrophobicContact CG-CE2 3.76Å; M775-Y894 WeakPolarHBondContact CG-OH 3.15Å; M775-Y894 HydrophobicContact SD-CE2 4.47Å; F814-Y894 HydrophobicContact CB-CD1 3.7Å; F814-Y894 HydrophobicContact CB-CE1 4.34Å; F814-Y894 HydrophobicContact CB-CG 3.99Å; F814-Y894 AromaticContact CD1-CD1 3.45Å; F814-Y894 HydrophobicContact CD1-CD1 3.45Å; F814-Y894 VanDerWaalsContact CD1-CD1 3.45Å; F814-Y894 AromaticContact CD1-CE1 3.23Å; F814-Y894 HydrophobicContact CD1-CE1 3.23Å; F814-Y894 HydrophobicContact CD1-CG 4.4Å; F814-Y894 HydrophobicContact CD2-CD1 4.26Å; F814-Y894 HydrophobicContact CE1-CD1 4.12Å; F814-Y894 AromaticContact CE1-CE1 3.6Å; F814-Y894 HydrophobicContact CE1-CE1 3.6Å; F814-Y894 AromaticContact CG-CD1 3.54Å; F814-Y894 HydrophobicContact CG-CD1 3.54Å; F814-Y894 AromaticContact CG-CE1 3.86Å; F814-Y894 HydrophobicContact CG-CE1 3.86Å; F814-Y894 HydrophobicContact CG-CG 4.34Å; F814-Y894 HydrophobicContact CZ-CE1 4.46Å; V818-Y894 HydrophobicContact CG2-CD2 4Å; A891-Y894 VanDerWaalsContact O-CB 3.25Å; A891-Y894 WeakPolarHBondContact O-CB 3.48Å; A891-Y894 PolarHBondContact O-N 3.45Å; V892-Y894 VanDerWaalsContact C-N 3.32Å; V892-Y894 PolarHBondContact O-N 3.23Å; Y894-S896 PolarHBondContact O-N 3.28Å; Y894-S896 PolarHBondContact O-OG 3.4Å; Y894-L902 HydrophobicContact CD2-CD2 3.92Å
895	D	86.8	Confident	92.3	Very high	98 Å²	98	22.3 Å²	22.3	52%	0.524	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	5.7	-169.4	-168	50	0	0	0	116.1	R950	D895-R950 PolarHBondContact O-NH2 3.41Å; D895-R950 IonicContact OD1-CZ 2.71Å; D895-R950 IonicContact OD1-NH2 2.79Å; D895-R950 PolarHBondContact OD1-NH2 3.45Å; D895-R950 IonicContact OD2-NH2 3.91Å; D895-R950 PolarHBondContact OD2-NH2 2.88Å; D895-R950 VanDerWaalsContact OD2-NH2 3.09Å
896	S	89.8	Confident	92.4	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.049	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-34.4	-175.6	-50.4	0	0	0	0	111.6	W888 F893 Y894 T949	W888-S896 VanDerWaalsContact CD1-CB 3.45Å; W888-S896 VanDerWaalsContact CD1-OG 3.26Å; F893-S896 VanDerWaalsContact O-CB 3.25Å; F893-S896 WeakPolarHBondContact O-CB 3.41Å; F893-S896 PolarHBondContact O-N 2.75Å; F893-S896 VanDerWaalsContact O-N 3.16Å; Y894-S896 PolarHBondContact O-N 3.28Å; Y894-S896 PolarHBondContact O-OG 3.4Å; S896-T949 CarbonylContact O-C 3.55Å; S896-T949 WeakPolarHBondContact O-CB 3.09Å; S896-T949 PolarHBondContact O-OG1 3.14Å
897	V	91.2	Very high	92.6	Very high	13 Å²	13	20 Å²	20	8%	0.079	10%	0.101	C	C	.	.	S	Bend	trans	-132	165	179.2	-60.8	0	0	0	0	111	F893 T901 L902 I905 I924	F893-V897 HydrophobicContact CB-CG2 4.06Å; F893-V897 HydrophobicContact CD1-CG1 4.21Å; F893-V897 PolarHBondContact O-N 3.49Å; V897-T901 HydrophobicContact CB-CG2 4.25Å; V897-T901 HydrophobicContact CG2-CG2 4.23Å; V897-L902 HydrophobicContact CG2-CB 4.14Å; V897-I905 HydrophobicContact CG2-CD1 4.27Å; V897-I924 HydrophobicContact CG1-CD1 3.85Å
898	P	87.2	Confident	92.8	Very high	26 Å²	26	16.4 Å²	16.4	17%	0.169	8%	0.081	C	C	.	.			trans	-54.1	151.3	171	-25.4	33.9	0	0	0	113.1	E900 T901 L902 T949 N953	P898-E900 PolarHBondContact O-N 2.99Å; P898-T901 WeakPolarHBondContact O-CA 3.37Å; P898-T901 VanDerWaalsContact O-CB 3.29Å; P898-T901 WeakPolarHBondContact O-CB 3.34Å; P898-T901 PolarHBondContact O-N 2.88Å; P898-T901 VanDerWaalsContact O-N 3.07Å; P898-L902 PolarHBondContact O-N 3.1Å; P898-T949 WeakPolarHBondContact CD-O 3.36Å; P898-N953 WeakPolarHBondContact CG-OD1 3.26Å
899	F	89.2	Confident	92.9	Very high	34 Å²	34	16.2 Å²	16.2	15%	0.149	8%	0.081	C	C	.	.	H	α-helix	trans	-66.1	-36.7	-172.4	-168.2	-95.1	0	0	0	113.6	Y656 F658 L821 F822 T901 L902 I903	Y656-F899 HydrophobicContact CD1-CD1 4.46Å; Y656-F899 AromaticContact CD1-CE1 3.8Å; Y656-F899 HydrophobicContact CD1-CE1 3.8Å; Y656-F899 AromaticContact CD2-CD1 3.61Å; Y656-F899 HydrophobicContact CD2-CD1 3.61Å; Y656-F899 AromaticContact CD2-CE1 3.77Å; Y656-F899 HydrophobicContact CD2-CE1 3.77Å; Y656-F899 HydrophobicContact CE1-CE1 4.28Å; Y656-F899 AromaticContact CE2-CD1 3.99Å; Y656-F899 HydrophobicContact CE2-CD1 3.99Å; Y656-F899 HydrophobicContact CE2-CE1 4.24Å; Y656-F899 AromaticContact CG-CD1 3.86Å; Y656-F899 HydrophobicContact CG-CD1 3.86Å; Y656-F899 AromaticContact CG-CE1 3.51Å; Y656-F899 HydrophobicContact CG-CE1 3.51Å; F658-F899 HydrophobicContact CD2-CG 4.42Å; F658-F899 HydrophobicContact CE2-CB 4.48Å; F658-F899 AromaticContact CE2-CD1 3.86Å; F658-F899 HydrophobicContact CE2-CD1 3.86Å; F658-F899 AromaticContact CE2-CD2 3.55Å; F658-F899 HydrophobicContact CE2-CD2 3.55Å; F658-F899 AromaticContact CE2-CE1 3.93Å; F658-F899 HydrophobicContact CE2-CE1 3.93Å; F658-F899 AromaticContact CE2-CE2 3.63Å; F658-F899 HydrophobicContact CE2-CE2 3.63Å; F658-F899 AromaticContact CE2-CG 3.68Å; F658-F899 HydrophobicContact CE2-CG 3.68Å; F658-F899 AromaticContact CE2-CZ 3.83Å; F658-F899 HydrophobicContact CE2-CZ 3.83Å; F658-F899 AromaticContact CZ-CD2 3.63Å; F658-F899 HydrophobicContact CZ-CD2 3.63Å; F658-F899 AromaticContact CZ-CE2 3.63Å; F658-F899 HydrophobicContact CZ-CE2 3.63Å; F658-F899 HydrophobicContact CZ-CG 4.22Å; F658-F899 HydrophobicContact CZ-CZ 4.22Å; L821-F899 HydrophobicContact CD1-CE1 4.49Å; L821-F899 HydrophobicContact CD1-CE2 3.89Å; L821-F899 HydrophobicContact CD1-CZ 3.52Å; F822-F899 HydrophobicContact CE2-CE1 4.36Å; F822-F899 HydrophobicContact CE2-CZ 4.13Å; F822-F899 HydrophobicContact CZ-CE1 4.14Å; F822-F899 HydrophobicContact CZ-CZ 4.36Å; F899-T901 VanDerWaalsContact C-N 3.26Å; F899-T901 PolarHBondContact O-N 3.18Å; F899-L902 HydrophobicContact CD2-CD2 3.81Å; F899-L902 HydrophobicContact CE2-CD2 3.9Å; F899-L902 WeakPolarHBondContact O-CB 3.45Å; F899-L902 PolarHBondContact O-N 3.04Å; F899-I903 HydrophobicContact CD1-CG2 4.01Å; F899-I903 HydrophobicContact CE1-CD1 4.45Å; F899-I903 HydrophobicContact CE1-CG2 3.46Å; F899-I903 VanDerWaalsContact CE1-CG2 3.46Å; F899-I903 HydrophobicContact CE2-CG2 4.35Å; F899-I903 HydrophobicContact CZ-CG2 3.65Å; F899-I903 PolarHBondContact O-N 2.84Å
900	E	85.8	Confident	92.9	Very high	70 Å²	70	16.3 Å²	16.3	33%	0.327	8%	0.081	S	C	.	.	H	α-helix	trans	-62.7	-34.2	173	-60.7	-72.1	-162.7	0	0	111.9	Y656 P898 I903 R904	Y656-E900 WeakPolarHBondContact CE2-OE1 3.28Å; Y656-E900 WeakPolarHBondContact CE2-OE2 3.34Å; Y656-E900 PolarHBondContact OH-OE2 2.6Å; P898-E900 PolarHBondContact O-N 2.99Å; E900-I903 WeakPolarHBondContact O-CG1 3.25Å; E900-I903 VanDerWaalsContact OE2-CD1 3.28Å; E900-I903 WeakPolarHBondContact OE2-CD1 3.27Å; E900-R904 WeakPolarHBondContact O-CB 3.38Å; E900-R904 WeakPolarHBondContact O-CG 3.42Å; E900-R904 PolarHBondContact O-N 2.81Å
901	T	91.3	Very high	93	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-71.3	-40.8	174.1	-43.7	0	0	0	0	111	V897 P898 F899 R904 I905 T952 V955 L958	V897-T901 HydrophobicContact CB-CG2 4.25Å; V897-T901 HydrophobicContact CG2-CG2 4.23Å; P898-T901 WeakPolarHBondContact O-CA 3.37Å; P898-T901 VanDerWaalsContact O-CB 3.29Å; P898-T901 WeakPolarHBondContact O-CB 3.34Å; P898-T901 PolarHBondContact O-N 2.88Å; P898-T901 VanDerWaalsContact O-N 3.07Å; F899-T901 VanDerWaalsContact C-N 3.26Å; F899-T901 PolarHBondContact O-N 3.18Å; T901-R904 PolarHBondContact O-N 3.49Å; T901-I905 HydrophobicContact CG2-CD1 4.37Å; T901-I905 VanDerWaalsContact O-CG1 3.28Å; T901-I905 WeakPolarHBondContact O-CG1 3.35Å; T901-I905 PolarHBondContact O-N 3.39Å; T901-T952 HydrophobicContact CG2-CG2 4.23Å; T901-T952 WeakPolarHBondContact CG2-O 3.47Å; T901-T952 PolarHBondContact OG1-O 3.25Å; T901-V955 HydrophobicContact CG2-CG1 4.47Å; T901-V955 HydrophobicContact CG2-CG2 4.26Å; T901-L958 HydrophobicContact CG2-CD2 3.73Å
902	L	95.1	Very high	92.9	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-58.3	-51.6	176.4	175.7	64.7	0	0	0	111.7	V818 V892 F893 Y894 V897 P898 F899 R904 I905 W906	V818-L902 HydrophobicContact CG2-CD2 4.02Å; V892-L902 WeakPolarHBondContact O-CD1 3.11Å; F893-L902 HydrophobicContact CB-CD1 3.96Å; Y894-L902 HydrophobicContact CD2-CD2 3.92Å; V897-L902 HydrophobicContact CG2-CB 4.14Å; P898-L902 PolarHBondContact O-N 3.1Å; F899-L902 HydrophobicContact CD2-CD2 3.81Å; F899-L902 HydrophobicContact CE2-CD2 3.9Å; F899-L902 WeakPolarHBondContact O-CB 3.45Å; F899-L902 PolarHBondContact O-N 3.04Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 3.24Å; L902-I905 WeakPolarHBondContact O-CB 3.41Å; L902-I905 PolarHBondContact O-N 3.33Å; L902-I905 VanDerWaalsContact O-N 3.14Å; L902-W906 VanDerWaalsContact O-CD1 3.28Å; L902-W906 PolarHBondContact O-N 3.03Å
903	I	94.2	Very high	92.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.6	-30.5	-176.7	66.7	-172.5	0	0	0	112.5	Y656 W727 F822 F899 E900 W906 D907	Y656-I903 HydrophobicContact CE1-CD1 3.89Å; Y656-I903 HydrophobicContact CE2-CD1 4.23Å; Y656-I903 VanDerWaalsContact CZ-CD1 3.5Å; Y656-I903 WeakPolarHBondContact OH-CD1 3.27Å; W727-I903 HydrophobicContact CZ2-CB 4.49Å; F822-I903 HydrophobicContact CE2-CG2 3.72Å; F822-I903 HydrophobicContact CZ-CD1 4.46Å; F822-I903 HydrophobicContact CZ-CG2 3.89Å; F899-I903 HydrophobicContact CD1-CG2 4.01Å; F899-I903 HydrophobicContact CE1-CD1 4.45Å; F899-I903 HydrophobicContact CE1-CG2 3.46Å; F899-I903 VanDerWaalsContact CE1-CG2 3.46Å; F899-I903 HydrophobicContact CE2-CG2 4.35Å; F899-I903 HydrophobicContact CZ-CG2 3.65Å; F899-I903 PolarHBondContact O-N 2.84Å; E900-I903 WeakPolarHBondContact O-CG1 3.25Å; E900-I903 VanDerWaalsContact OE2-CD1 3.28Å; E900-I903 WeakPolarHBondContact OE2-CD1 3.27Å; I903-W906 PolarHBondContact O-N 3.49Å; I903-D907 PolarHBondContact O-N 3.43Å
904	R	93.8	Very high	92.7	Very high	34 Å²	34	18 Å²	18	13%	0.128	9%	0.091	C	C	.	.	H	α-helix	trans	-72.1	-28.3	171.4	-73.4	-76.6	-60.4	-80.9	9.6	112.9	R715 S716 E900 T901 L902 V955 D956 I959	R715-R904 PolarHBondContact O-NH2 2.93Å; S716-R904 PolarHBondContact O-NH2 2.91Å; E900-R904 WeakPolarHBondContact O-CB 3.38Å; E900-R904 WeakPolarHBondContact O-CG 3.42Å; E900-R904 PolarHBondContact O-N 2.81Å; T901-R904 PolarHBondContact O-N 3.49Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 3.24Å; R904-V955 HydrophobicContact CB-CG1 3.52Å; R904-V955 HydrophobicContact CG-CG1 3.84Å; R904-D956 IonicContact CZ-OD1 3.5Å; R904-D956 VanDerWaalsContact CZ-OD1 3.26Å; R904-D956 IonicContact NH1-OD1 2.68Å; R904-D956 PolarHBondContact NH1-OD1 2.82Å; R904-D956 IonicContact NH2-OD1 2.77Å; R904-D956 PolarHBondContact NH2-OD1 2.98Å; R904-I959 HydrophobicContact CB-CD1 4.5Å; R904-I959 VanDerWaalsContact NH2-CD1 3.32Å
905	I	96.3	Very high	92.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-67.4	-42.4	166.9	-69.7	168.7	0	0	0	109.9	F893 V897 T901 L902 V908 F909 F920	F893-I905 HydrophobicContact CB-CD1 4.13Å; F893-I905 HydrophobicContact CD1-CD1 4.24Å; F893-I905 HydrophobicContact CD2-CD1 4.23Å; F893-I905 HydrophobicContact CD2-CG2 3.97Å; F893-I905 HydrophobicContact CG-CD1 3.94Å; V897-I905 HydrophobicContact CG2-CD1 4.27Å; T901-I905 HydrophobicContact CG2-CD1 4.37Å; T901-I905 VanDerWaalsContact O-CG1 3.28Å; T901-I905 WeakPolarHBondContact O-CG1 3.35Å; T901-I905 PolarHBondContact O-N 3.39Å; L902-I905 WeakPolarHBondContact O-CB 3.41Å; L902-I905 PolarHBondContact O-N 3.33Å; L902-I905 VanDerWaalsContact O-N 3.14Å; I905-V908 PolarHBondContact O-N 3.38Å; I905-F909 VanDerWaalsContact O-CB 3.23Å; I905-F909 WeakPolarHBondContact O-CB 3.46Å; I905-F909 PolarHBondContact O-N 3.29Å; I905-F920 HydrophobicContact CB-CD2 4.18Å; I905-F920 HydrophobicContact CB-CE2 4.14Å; I905-F920 HydrophobicContact CD1-CB 4.3Å; I905-F920 HydrophobicContact CD1-CD1 4.49Å; I905-F920 HydrophobicContact CD1-CD2 4.46Å; I905-F920 HydrophobicContact CD1-CG 4.19Å; I905-F920 HydrophobicContact CG1-CB 4.45Å; I905-F920 HydrophobicContact CG1-CD1 4.04Å; I905-F920 HydrophobicContact CG1-CD2 3.73Å; I905-F920 HydrophobicContact CG1-CE1 4.16Å; I905-F920 HydrophobicContact CG1-CE2 3.84Å; I905-F920 HydrophobicContact CG1-CG 3.83Å; I905-F920 HydrophobicContact CG1-CZ 4.05Å; I905-F920 HydrophobicContact CG2-CD2 3.79Å; I905-F920 HydrophobicContact CG2-CE2 4.08Å
906	W	97	Very high	93	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.6	-43.2	177.2	-84.1	55.9	0	0	0	113.5	W727 I815 V818 A819 I835 V892 L902 I903 V908 F909 L910	W727-W906 HydrophobicContact CE3-CE3 4.21Å; W727-W906 HydrophobicContact CH2-CB 3.66Å; W727-W906 HydrophobicContact CH2-CD2 4.02Å; W727-W906 AromaticContact CH2-CE3 3.61Å; W727-W906 HydrophobicContact CH2-CE3 3.61Å; W727-W906 HydrophobicContact CH2-CG 4.08Å; W727-W906 HydrophobicContact CZ2-CB 3.48Å; W727-W906 VanDerWaalsContact CZ2-CB 3.48Å; W727-W906 HydrophobicContact CZ2-CE3 4.37Å; W727-W906 HydrophobicContact CZ2-CG 4.39Å; W727-W906 HydrophobicContact CZ3-CD2 4.36Å; W727-W906 AromaticContact CZ3-CE3 3.5Å; W727-W906 HydrophobicContact CZ3-CE3 3.5Å; W727-W906 HydrophobicContact CZ3-CZ3 4.05Å; I815-W906 HydrophobicContact CG2-CH2 3.82Å; I815-W906 HydrophobicContact CG2-CZ2 4.26Å; I815-W906 WeakPolarHBondContact O-CH2 3.47Å; V818-W906 HydrophobicContact CB-CH2 3.81Å; V818-W906 HydrophobicContact CB-CZ2 3.74Å; V818-W906 HydrophobicContact CB-CZ3 4.34Å; V818-W906 HydrophobicContact CG1-CD2 3.75Å; V818-W906 HydrophobicContact CG1-CE3 3.88Å; V818-W906 HydrophobicContact CG1-CG 4.46Å; V818-W906 HydrophobicContact CG1-CH2 3.77Å; V818-W906 HydrophobicContact CG1-CZ2 3.63Å; V818-W906 HydrophobicContact CG1-CZ3 3.89Å; V818-W906 HydrophobicContact CG2-CZ2 4.36Å; A819-W906 HydrophobicContact CB-CZ3 4.47Å; I835-W906 HydrophobicContact CD1-CE3 4.49Å; I835-W906 HydrophobicContact CD1-CH2 3.59Å; I835-W906 HydrophobicContact CD1-CZ2 4.32Å; I835-W906 HydrophobicContact CD1-CZ3 3.7Å; V892-W906 HydrophobicContact CB-CZ2 4.07Å; V892-W906 HydrophobicContact CG1-CZ2 4.29Å; V892-W906 VanDerWaalsContact CG1-NE1 3.31Å; V892-W906 PolarHBondContact O-NE1 3.42Å; V892-W906 VanDerWaalsContact O-NE1 3.12Å; L902-W906 VanDerWaalsContact O-CD1 3.28Å; L902-W906 PolarHBondContact O-N 3.03Å; I903-W906 PolarHBondContact O-N 3.49Å; W906-V908 PolarHBondContact O-N 3.46Å; W906-V908 VanDerWaalsContact O-N 3.09Å; W906-F909 PolarHBondContact O-N 3.28Å; W906-F909 VanDerWaalsContact O-N 3.14Å; W906-L910 HydrophobicContact CE3-CD1 4.2Å; W906-L910 HydrophobicContact CE3-CD2 4.5Å; W906-L910 HydrophobicContact CE3-CG 4.47Å; W906-L910 WeakPolarHBondContact O-CG 3.39Å; W906-L910 PolarHBondContact O-N 3.17Å
907	D	95.5	Very high	93.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-50.2	-35.5	175.2	-76.1	-16.5	0	0	0	111.8	C714 V718 R723 W727 I903	C714-D907 VanDerWaalsContact CB-O 3.3Å; C714-D907 WeakPolarHBondContact CB-O 3.46Å; C714-D907 PolarHBondContact SG-O 3.27Å; V718-D907 HydrophobicContact CG2-CB 3.87Å; V718-D907 VanDerWaalsContact CG2-CG 3.49Å; V718-D907 WeakPolarHBondContact CG2-OD1 3.27Å; V718-D907 PolarHBondContact N-OD2 2.8Å; R723-D907 IonicContact CZ-OD1 3Å; R723-D907 IonicContact CZ-OD2 2.73Å; R723-D907 IonicContact NE-OD1 2.86Å; R723-D907 PolarHBondContact NE-OD1 3.48Å; R723-D907 IonicContact NE-OD2 3.19Å; R723-D907 IonicContact NH2-OD1 2.61Å; R723-D907 IonicContact NH2-OD2 2.7Å; R723-D907 PolarHBondContact NH2-OD2 3.19Å; W727-D907 PolarHBondContact NE1-OD1 2.97Å; I903-D907 PolarHBondContact O-N 3.43Å
908	V	96.1	Very high	93.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-89.5	-43.3	176.9	-176.8	0	0	0	0	112.2	C714 R715 I905 W906 L910 L911 E912 T916 F920 F963	C714-V908 WeakPolarHBondContact O-CG2 3.33Å; R715-V908 HydrophobicContact CG-CG1 4.47Å; R715-V908 HydrophobicContact CG-CG2 4.18Å; I905-V908 PolarHBondContact O-N 3.38Å; W906-V908 PolarHBondContact O-N 3.46Å; W906-V908 VanDerWaalsContact O-N 3.09Å; V908-L910 PolarHBondContact O-N 2.93Å; V908-L911 PolarHBondContact O-N 3.46Å; V908-L911 VanDerWaalsContact O-N 3.08Å; V908-E912 HydrophobicContact CG1-CB 4.3Å; V908-E912 HydrophobicContact CG1-CG 4.16Å; V908-E912 WeakPolarHBondContact CG1-OE1 3.49Å; V908-E912 PolarHBondContact O-N 3.04Å; V908-T916 HydrophobicContact CB-CG2 4.19Å; V908-T916 HydrophobicContact CG1-CG2 3.83Å; V908-F920 HydrophobicContact CB-CE2 4.42Å; V908-F963 HydrophobicContact CG1-CE2 4.27Å; V908-F963 HydrophobicContact CG1-CZ 3.76Å
909	F	96.7	Very high	94	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.5	-39	-177.3	167.3	-110.7	0	0	0	113	I835 F839 V892 I905 W906 L911 G913 T916 L917	I835-F909 HydrophobicContact CD1-CE1 4.17Å; I835-F909 HydrophobicContact CG1-CE1 3.91Å; I835-F909 HydrophobicContact CG2-CE1 4.1Å; I835-F909 HydrophobicContact CG2-CZ 4.12Å; F839-F909 HydrophobicContact CB-CE2 4.27Å; F839-F909 HydrophobicContact CB-CZ 4.13Å; F839-F909 HydrophobicContact CD2-CE1 4.46Å; F839-F909 HydrophobicContact CD2-CZ 4.44Å; V892-F909 HydrophobicContact CG1-CD1 3.64Å; V892-F909 HydrophobicContact CG1-CE1 3.62Å; V892-F909 HydrophobicContact CG1-CG 4.21Å; V892-F909 HydrophobicContact CG1-CZ 4.21Å; V892-F909 HydrophobicContact CG2-CE1 4.15Å; V892-F909 HydrophobicContact CG2-CZ 4.37Å; I905-F909 VanDerWaalsContact O-CB 3.23Å; I905-F909 WeakPolarHBondContact O-CB 3.46Å; I905-F909 PolarHBondContact O-N 3.29Å; W906-F909 PolarHBondContact O-N 3.28Å; W906-F909 VanDerWaalsContact O-N 3.14Å; F909-L911 PolarHBondContact O-N 3.03Å; F909-G913 WeakPolarHBondContact CD2-O 3.41Å; F909-G913 WeakPolarHBondContact O-CA 3.34Å; F909-G913 PolarHBondContact O-N 3.48Å; F909-T916 HydrophobicContact CB-CG2 4.11Å; F909-L917 HydrophobicContact CD2-CD2 3.88Å; F909-L917 HydrophobicContact CD2-CG 4.1Å; F909-L917 HydrophobicContact CE2-CD1 4.06Å; F909-L917 HydrophobicContact CE2-CD2 4.06Å; F909-L917 HydrophobicContact CE2-CG 4.04Å; F909-L917 HydrophobicContact CG-CD2 4.43Å
910	L	95.6	Very high	94.4	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-68.4	-11.1	176.9	-65.4	177	0	0	0	113.8	W727 L730 I731 I835 F839 W906 V908	W727-L910 HydrophobicContact CB-CD1 3.97Å; W727-L910 HydrophobicContact CD2-CD1 3.44Å; W727-L910 VanDerWaalsContact CD2-CD1 3.44Å; W727-L910 HydrophobicContact CE3-CD1 3.86Å; W727-L910 HydrophobicContact CG-CD1 3.5Å; W727-L910 VanDerWaalsContact CG-CD1 3.5Å; L730-L910 HydrophobicContact CD1-CB 4Å; I731-L910 HydrophobicContact CD1-CD1 4.49Å; I731-L910 HydrophobicContact CG1-CD2 4.43Å; I835-L910 HydrophobicContact CD1-CD2 4.13Å; I835-L910 HydrophobicContact CG1-CD2 4.13Å; F839-L910 HydrophobicContact CD2-CD2 4.43Å; F839-L910 HydrophobicContact CE2-CD2 3.83Å; F839-L910 WeakPolarHBondContact CZ-O 3.12Å; W906-L910 HydrophobicContact CE3-CD1 4.2Å; W906-L910 HydrophobicContact CE3-CD2 4.5Å; W906-L910 HydrophobicContact CE3-CG 4.47Å; W906-L910 WeakPolarHBondContact O-CG 3.39Å; W906-L910 PolarHBondContact O-N 3.17Å; V908-L910 PolarHBondContact O-N 2.93Å
911	L	93.7	Very high	94.9	Very high	15 Å²	15	8.8 Å²	8.8	8%	0.079	4%	0.041	C	C	.	.	H	α-helix	trans	-107.5	-46.4	175.4	173.6	62.6	0	0	0	112	R707 L710 E711 C714 L730 V908 F909	R707-L911 HydrophobicContact CG-CD1 4.48Å; R707-L911 PolarHBondContact NH1-O 3.37Å; R707-L911 PolarHBondContact NH2-O 3.43Å; L710-L911 VanDerWaalsContact C-CD2 3.5Å; L710-L911 HydrophobicContact CB-CD2 3.95Å; L710-L911 WeakPolarHBondContact O-CD2 3.25Å; E711-L911 HydrophobicContact CB-CD2 4.33Å; E711-L911 HydrophobicContact CG-CD2 3.85Å; E711-L911 HydrophobicContact CG-CG 4.31Å; C714-L911 HydrophobicContact CB-CD2 3.99Å; L730-L911 HydrophobicContact CD1-CB 4.15Å; L730-L911 HydrophobicContact CD2-CB 4.14Å; L730-L911 HydrophobicContact CD2-CD1 3.74Å; L730-L911 HydrophobicContact CD2-CG 4.46Å; V908-L911 PolarHBondContact O-N 3.46Å; V908-L911 VanDerWaalsContact O-N 3.08Å; F909-L911 PolarHBondContact O-N 3.03Å
912	E	92.4	Very high	95.2	Very high	30 Å²	30	8.7 Å²	8.7	14%	0.14	4%	0.041	C	C	.	.	H	α-helix	trans	-94	-11.4	-172.1	-72.6	-168.5	-120.9	0	0	115	E711 R715 V908 T916 F963	E711-E912 HydrophobicContact CG-CG 4.12Å; R715-E912 IonicContact CZ-OE1 2.92Å; R715-E912 IonicContact CZ-OE2 2.63Å; R715-E912 IonicContact NE-OE1 2.6Å; R715-E912 PolarHBondContact NE-OE1 2.9Å; R715-E912 IonicContact NE-OE2 3.01Å; R715-E912 IonicContact NH2-OE1 2.8Å; R715-E912 PolarHBondContact NH2-OE1 3.32Å; R715-E912 IonicContact NH2-OE2 3.09Å; R715-E912 PolarHBondContact NH2-OE2 2.88Å; V908-E912 HydrophobicContact CG1-CB 4.3Å; V908-E912 HydrophobicContact CG1-CG 4.16Å; V908-E912 WeakPolarHBondContact CG1-OE1 3.49Å; V908-E912 PolarHBondContact O-N 3.04Å; E912-T916 WeakPolarHBondContact CB-OG1 2.99Å; E912-F963 WeakPolarHBondContact OE1-CE1 3.44Å
913	G	92.1	Very high	95.3	Very high	9 Å²	9	8.6 Å²	8.6	9%	0.093	4%	0.04	C	C	.	.			trans	79	-170.1	177.8	0	0	0	0	0	114.6	F909 E915 T916	F909-G913 WeakPolarHBondContact CD2-O 3.41Å; F909-G913 WeakPolarHBondContact O-CA 3.34Å; F909-G913 PolarHBondContact O-N 3.48Å; G913-E915 VanDerWaalsContact C-N 3.3Å; G913-E915 PolarHBondContact O-N 2.88Å; G913-T916 WeakPolarHBondContact O-CB 3.49Å; G913-T916 PolarHBondContact O-N 3.13Å; G913-T916 VanDerWaalsContact O-N 3.1Å; G913-T916 PolarHBondContact O-OG1 2.9Å
914	S	93.3	Very high	95.4	Very high	3 Å²	3	8.6 Å²	8.6	2%	0.021	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.2	-167.3	54.4	0	0	0	0	115.9	F839 T916 L917 F918 R979	F839-S914 WeakPolarHBondContact O-CB 3.32Å; F839-S914 PolarHBondContact O-OG 3.27Å; S914-T916 PolarHBondContact O-N 3.38Å; S914-T916 VanDerWaalsContact O-N 3.14Å; S914-L917 WeakPolarHBondContact O-CB 3.4Å; S914-L917 PolarHBondContact O-N 3.49Å; S914-F918 WeakPolarHBondContact O-CD2 3.24Å; S914-R979 PolarHBondContact OG-NH1 3.23Å; S914-R979 VanDerWaalsContact OG-NH1 3.1Å; S914-R979 PolarHBondContact OG-NH2 2.93Å
915	E	91.7	Very high	95.5	Very high	38 Å²	38	7 Å²	7	18%	0.178	3%	0.034	C	C	.	.	H	α-helix	trans	-52.5	-31.3	167	-75.1	73.9	-169.5	0	0	112.2	G913 L917 F918 R919 P972 I975 R979	G913-E915 VanDerWaalsContact C-N 3.3Å; G913-E915 PolarHBondContact O-N 2.88Å; E915-L917 VanDerWaalsContact C-N 3.28Å; E915-L917 PolarHBondContact O-N 3.22Å; E915-F918 PolarHBondContact O-N 3.29Å; E915-R919 PolarHBondContact O-N 3.37Å; E915-P972 HydrophobicContact CG-CB 4.16Å; E915-P972 HydrophobicContact CG-CG 4.19Å; E915-I975 HydrophobicContact CB-CD1 4.29Å; E915-I975 HydrophobicContact CG-CD1 3.72Å; E915-I975 HydrophobicContact CG-CG2 4.47Å; E915-R979 IonicContact OE1-NH1 2.73Å
916	T	94.8	Very high	95.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-35.8	175.6	-52.2	0	0	0	0	112.7	V908 F909 E912 G913 S914 F918 R919 F920	V908-T916 HydrophobicContact CB-CG2 4.19Å; V908-T916 HydrophobicContact CG1-CG2 3.83Å; F909-T916 HydrophobicContact CB-CG2 4.11Å; E912-T916 WeakPolarHBondContact CB-OG1 2.99Å; G913-T916 WeakPolarHBondContact O-CB 3.49Å; G913-T916 PolarHBondContact O-N 3.13Å; G913-T916 VanDerWaalsContact O-N 3.1Å; G913-T916 PolarHBondContact O-OG1 2.9Å; S914-T916 PolarHBondContact O-N 3.38Å; S914-T916 VanDerWaalsContact O-N 3.14Å; T916-F918 PolarHBondContact O-N 3.47Å; T916-R919 WeakPolarHBondContact O-CB 3.35Å; T916-R919 PolarHBondContact O-N 3.21Å; T916-F920 HydrophobicContact CG2-CD2 3.59Å; T916-F920 HydrophobicContact CG2-CE2 3.43Å; T916-F920 VanDerWaalsContact CG2-CE2 3.43Å; T916-F920 WeakPolarHBondContact O-CD2 3.35Å; T916-F920 PolarHBondContact O-N 2.94Å; T916-F920 VanDerWaalsContact O-N 3.07Å
917	L	96.5	Very high	95.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.9	-41.6	-178.5	-54.6	178.5	0	0	0	111.3	L840 F889 V892 F893 F909 S914 E915 A921	L840-L917 HydrophobicContact CD2-CD1 4.03Å; F889-L917 HydrophobicContact CD1-CB 3.84Å; F889-L917 HydrophobicContact CD1-CD1 4.48Å; F889-L917 HydrophobicContact CE1-CB 3.63Å; F889-L917 WeakPolarHBondContact CE1-O 3.3Å; F889-L917 HydrophobicContact CE2-CB 4.47Å; F889-L917 HydrophobicContact CG-CB 4.36Å; F889-L917 HydrophobicContact CG-CD1 4.36Å; F889-L917 HydrophobicContact CZ-CB 3.97Å; V892-L917 HydrophobicContact CG1-CD2 4.03Å; F893-L917 HydrophobicContact CD2-CD2 4.1Å; F893-L917 HydrophobicContact CE2-CB 4.29Å; F893-L917 HydrophobicContact CE2-CD2 3.89Å; F909-L917 HydrophobicContact CD2-CD2 3.88Å; F909-L917 HydrophobicContact CD2-CG 4.1Å; F909-L917 HydrophobicContact CE2-CD1 4.06Å; F909-L917 HydrophobicContact CE2-CD2 4.06Å; F909-L917 HydrophobicContact CE2-CG 4.04Å; F909-L917 HydrophobicContact CG-CD2 4.43Å; S914-L917 WeakPolarHBondContact O-CB 3.4Å; S914-L917 PolarHBondContact O-N 3.49Å; E915-L917 VanDerWaalsContact C-N 3.28Å; E915-L917 PolarHBondContact O-N 3.22Å; L917-A921 WeakPolarHBondContact O-CB 3.41Å; L917-A921 PolarHBondContact O-N 2.99Å
918	F	97.4	Very high	95.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.8	-42.4	173.9	-62.1	-88.4	0	0	0	112.1	D855 V858 L859 I862 F889 S914 E915 T916 V922 F969 I975	D855-F918 HydrophobicContact CB-CE1 4.37Å; D855-F918 HydrophobicContact CB-CZ 3.86Å; D855-F918 WeakPolarHBondContact O-CE1 3.28Å; V858-F918 HydrophobicContact CB-CE1 3.77Å; V858-F918 HydrophobicContact CB-CZ 4.12Å; V858-F918 HydrophobicContact CG1-CD1 4.39Å; V858-F918 HydrophobicContact CG1-CE1 3.69Å; V858-F918 HydrophobicContact CG1-CZ 4.01Å; L859-F918 HydrophobicContact CB-CD1 4.03Å; L859-F918 HydrophobicContact CB-CE1 4.1Å; L859-F918 HydrophobicContact CD1-CD1 4.16Å; I862-F918 HydrophobicContact CD1-CB 4.09Å; I862-F918 HydrophobicContact CD1-CD1 3.83Å; I862-F918 HydrophobicContact CD1-CG 4.13Å; F889-F918 HydrophobicContact CE2-CD1 4.11Å; F889-F918 AromaticContact CE2-CE1 3.95Å; F889-F918 HydrophobicContact CE2-CE1 3.95Å; F889-F918 HydrophobicContact CE2-CG 4.49Å; F889-F918 HydrophobicContact CE2-CZ 4.19Å; F889-F918 HydrophobicContact CZ-CD1 4.07Å; F889-F918 HydrophobicContact CZ-CE1 4.38Å; F889-F918 HydrophobicContact CZ-CG 4.26Å; S914-F918 WeakPolarHBondContact O-CD2 3.24Å; E915-F918 PolarHBondContact O-N 3.29Å; T916-F918 PolarHBondContact O-N 3.47Å; F918-V922 WeakPolarHBondContact O-CB 3.44Å; F918-V922 VanDerWaalsContact O-CG2 3.29Å; F918-V922 WeakPolarHBondContact O-CG2 3.41Å; F918-V922 PolarHBondContact O-N 2.9Å; F918-F969 HydrophobicContact CB-CE1 4.27Å; F918-F969 HydrophobicContact CB-CZ 4.01Å; F918-I975 HydrophobicContact CE2-CG2 4.04Å; F918-I975 HydrophobicContact CZ-CG2 4.39Å
919	R	96.1	Very high	95	Very high	47 Å²	47	18.1 Å²	18.1	18%	0.177	8%	0.082	C	C	.	.	H	α-helix	trans	-58	-51.7	177.9	-71	179.2	174.2	-84.2	3.2	111.1	E915 T916 V922 A923 A962 F969	E915-R919 PolarHBondContact O-N 3.37Å; T916-R919 WeakPolarHBondContact O-CB 3.35Å; T916-R919 PolarHBondContact O-N 3.21Å; R919-V922 PolarHBondContact O-N 2.81Å; R919-A923 VanDerWaalsContact O-CB 3.26Å; R919-A923 WeakPolarHBondContact O-CB 3.34Å; R919-A923 PolarHBondContact O-N 3.26Å; R919-A962 HydrophobicContact CB-CB 4.32Å; R919-A962 PolarHBondContact NH1-O 3.15Å; R919-F969 HydrophobicContact CB-CZ 4.32Å; R919-F969 HydrophobicContact CG-CD1 3.77Å; R919-F969 HydrophobicContact CG-CD2 4.43Å; R919-F969 HydrophobicContact CG-CE1 3.52Å; R919-F969 HydrophobicContact CG-CE2 4.22Å; R919-F969 HydrophobicContact CG-CG 4.22Å; R919-F969 HydrophobicContact CG-CZ 3.77Å
920	F	97	Very high	94.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.6	-39.8	-178.3	-74.9	-62.4	0	0	0	113	F893 I905 V908 T916 V922 A923 I924 L958 I959 A962 F963	F893-F920 HydrophobicContact CE2-CB 4.31Å; F893-F920 HydrophobicContact CZ-CB 4.04Å; I905-F920 HydrophobicContact CB-CD2 4.18Å; I905-F920 HydrophobicContact CB-CE2 4.14Å; I905-F920 HydrophobicContact CD1-CB 4.3Å; I905-F920 HydrophobicContact CD1-CD1 4.49Å; I905-F920 HydrophobicContact CD1-CD2 4.46Å; I905-F920 HydrophobicContact CD1-CG 4.19Å; I905-F920 HydrophobicContact CG1-CB 4.45Å; I905-F920 HydrophobicContact CG1-CD1 4.04Å; I905-F920 HydrophobicContact CG1-CD2 3.73Å; I905-F920 HydrophobicContact CG1-CE1 4.16Å; I905-F920 HydrophobicContact CG1-CE2 3.84Å; I905-F920 HydrophobicContact CG1-CG 3.83Å; I905-F920 HydrophobicContact CG1-CZ 4.05Å; I905-F920 HydrophobicContact CG2-CD2 3.79Å; I905-F920 HydrophobicContact CG2-CE2 4.08Å; V908-F920 HydrophobicContact CB-CE2 4.42Å; T916-F920 HydrophobicContact CG2-CD2 3.59Å; T916-F920 HydrophobicContact CG2-CE2 3.43Å; T916-F920 VanDerWaalsContact CG2-CE2 3.43Å; T916-F920 WeakPolarHBondContact O-CD2 3.35Å; T916-F920 PolarHBondContact O-N 2.94Å; T916-F920 VanDerWaalsContact O-N 3.07Å; F920-V922 PolarHBondContact O-N 2.59Å; F920-A923 PolarHBondContact O-N 3.47Å; F920-I924 VanDerWaalsContact O-CG1 3.32Å; F920-I924 WeakPolarHBondContact O-CG1 3.34Å; F920-I924 PolarHBondContact O-N 2.83Å; F920-L958 HydrophobicContact CD1-CD1 4.47Å; F920-L958 HydrophobicContact CD1-CD2 3.79Å; F920-L958 HydrophobicContact CD1-CG 3.86Å; F920-L958 HydrophobicContact CE1-CD2 4.16Å; F920-L958 HydrophobicContact CE1-CG 4.15Å; F920-I959 HydrophobicContact CE1-CG1 3.69Å; F920-I959 HydrophobicContact CZ-CG1 3.88Å; F920-A962 HydrophobicContact CD1-CB 4.01Å; F920-A962 HydrophobicContact CE1-CB 4.02Å; F920-F963 HydrophobicContact CE2-CE2 4.42Å; F920-F963 HydrophobicContact CZ-CE2 4.02Å
921	A	97	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-45.1	175.1	0	0	0	0	0	112.2	L859 W888 F889 F893 L917 L925	L859-A921 HydrophobicContact CD1-CB 3.86Å; L859-A921 HydrophobicContact CD2-CB 4.2Å; W888-A921 HydrophobicContact CE3-CB 3.87Å; W888-A921 HydrophobicContact CZ3-CB 3.97Å; F889-A921 HydrophobicContact CE1-CB 3.93Å; F889-A921 HydrophobicContact CZ-CB 4.31Å; F893-A921 HydrophobicContact CZ-CB 4.11Å; L917-A921 WeakPolarHBondContact O-CB 3.41Å; L917-A921 PolarHBondContact O-N 2.99Å; A921-L925 WeakPolarHBondContact O-CG 3.35Å; A921-L925 PolarHBondContact O-N 2.79Å
922	V	97.3	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.7	-32.5	177.1	179.7	0	0	0	0	111.3	L859 I862 V863 K866 L867 F918 R919 F920 L925 K926 L966	L859-V922 HydrophobicContact CD1-CG2 3.8Å; I862-V922 HydrophobicContact CB-CG2 4.37Å; I862-V922 HydrophobicContact CG2-CG2 3.87Å; V863-V922 HydrophobicContact CG2-CG2 3.98Å; K866-V922 HydrophobicContact CB-CG1 4.04Å; K866-V922 HydrophobicContact CG-CG1 4.44Å; L867-V922 HydrophobicContact CD1-CG1 4.14Å; L867-V922 HydrophobicContact CG-CG1 4.31Å; F918-V922 WeakPolarHBondContact O-CB 3.44Å; F918-V922 VanDerWaalsContact O-CG2 3.29Å; F918-V922 WeakPolarHBondContact O-CG2 3.41Å; F918-V922 PolarHBondContact O-N 2.9Å; R919-V922 PolarHBondContact O-N 2.81Å; F920-V922 PolarHBondContact O-N 2.59Å; V922-L925 PolarHBondContact O-N 2.91Å; V922-K926 WeakPolarHBondContact O-CB 3.47Å; V922-K926 PolarHBondContact O-N 3.02Å; V922-L966 HydrophobicContact CB-CD1 4.1Å; V922-L966 HydrophobicContact CG1-CD1 3.78Å; V922-L966 HydrophobicContact CG1-CD2 4Å
923	A	97.1	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-42.3	175.2	0	0	0	0	0	112.9	R919 F920 L925 K926 R927 L958 T961 A962 L966	R919-A923 VanDerWaalsContact O-CB 3.26Å; R919-A923 WeakPolarHBondContact O-CB 3.34Å; R919-A923 PolarHBondContact O-N 3.26Å; F920-A923 PolarHBondContact O-N 3.47Å; A923-L925 VanDerWaalsContact C-N 3.34Å; A923-L925 PolarHBondContact O-N 3.12Å; A923-K926 WeakPolarHBondContact O-CB 3.35Å; A923-K926 PolarHBondContact O-N 3.08Å; A923-R927 WeakPolarHBondContact O-CG 3.37Å; A923-R927 PolarHBondContact O-N 2.91Å; A923-L958 HydrophobicContact CB-CD1 3.67Å; A923-T961 HydrophobicContact CB-CG2 3.82Å; A923-A962 HydrophobicContact CB-CB 3.82Å; A923-L966 HydrophobicContact CB-CD1 4.14Å
924	I	95.8	Very high	94.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-46.2	173.7	-67.5	167.2	0	0	0	110.2	W888 F893 V897 F920 N928 T949 T952 L958	W888-I924 HydrophobicContact CH2-CG2 4.26Å; F893-I924 HydrophobicContact CD1-CD1 4.23Å; F893-I924 HydrophobicContact CE1-CD1 3.8Å; V897-I924 HydrophobicContact CG1-CD1 3.85Å; F920-I924 VanDerWaalsContact O-CG1 3.32Å; F920-I924 WeakPolarHBondContact O-CG1 3.34Å; F920-I924 PolarHBondContact O-N 2.83Å; I924-N928 PolarHBondContact O-N 2.74Å; I924-N928 PolarHBondContact O-ND2 3Å; I924-T949 HydrophobicContact CG2-CG2 3.7Å; I924-T952 HydrophobicContact CG1-CG2 4.43Å; I924-L958 HydrophobicContact CG1-CD1 3.73Å; I924-L958 HydrophobicContact CG1-CD2 4.42Å
925	L	96	Very high	94.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-35.4	177	-68.5	172.5	0	0	0	112.9	V863 L867 L870 A921 V922 A923 Q929 L932 L945	V863-L925 HydrophobicContact CG2-CD1 3.74Å; L867-L925 HydrophobicContact CD1-CB 3.56Å; L870-L925 HydrophobicContact CD2-CB 4.09Å; L870-L925 HydrophobicContact CD2-CD2 4.31Å; A921-L925 WeakPolarHBondContact O-CG 3.35Å; A921-L925 PolarHBondContact O-N 2.79Å; V922-L925 PolarHBondContact O-N 2.91Å; A923-L925 VanDerWaalsContact C-N 3.34Å; A923-L925 PolarHBondContact O-N 3.12Å; L925-Q929 WeakPolarHBondContact O-CA 3.42Å; L925-Q929 PolarHBondContact O-N 2.85Å; L925-Q929 VanDerWaalsContact O-N 3.13Å; L925-L932 HydrophobicContact CD2-CD1 4.19Å; L925-L945 HydrophobicContact CD2-CD1 3.72Å
926	K	96.1	Very high	94	Very high	75 Å²	75	35.4 Å²	35.4	33%	0.326	17%	0.174	S	C	.	.	H	α-helix	trans	-64.8	-47.5	176.2	175.1	69.2	178.4	-169.5	0	111.6	L867 V922 A923 N928 Q929 T961 L966	L867-K926 HydrophobicContact CD2-CB 3.89Å; L867-K926 HydrophobicContact CD2-CD 3.53Å; L867-K926 HydrophobicContact CD2-CG 4.29Å; V922-K926 WeakPolarHBondContact O-CB 3.47Å; V922-K926 PolarHBondContact O-N 3.02Å; A923-K926 WeakPolarHBondContact O-CB 3.35Å; A923-K926 PolarHBondContact O-N 3.08Å; K926-N928 VanDerWaalsContact C-N 3.3Å; K926-N928 PolarHBondContact O-N 2.84Å; K926-Q929 VanDerWaalsContact O-CB 3.28Å; K926-Q929 WeakPolarHBondContact O-CB 3.21Å; K926-Q929 PolarHBondContact O-N 3.38Å; K926-T961 HydrophobicContact CB-CG2 3.86Å; K926-T961 HydrophobicContact CG-CG2 3.52Å; K926-L966 HydrophobicContact CB-CD2 4.34Å; K926-L966 HydrophobicContact CD-CD2 4.2Å; K926-L966 HydrophobicContact CG-CD2 4.14Å
927	R	93.4	Very high	93.5	Very high	99 Å²	99	38 Å²	38	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-69	-27.5	-177.6	-70.7	-169.2	66.3	-175.3	5.1	113.6	A923 D954 G957 T961	A923-R927 WeakPolarHBondContact O-CG 3.37Å; A923-R927 PolarHBondContact O-N 2.91Å; R927-D954 IonicContact CZ-OD2 3.58Å; R927-D954 PolarHBondContact NH1-O 2.97Å; R927-D954 IonicContact NH1-OD2 3.94Å; R927-D954 IonicContact NH2-OD2 3.71Å; R927-D954 PolarHBondContact NH2-OD2 3.1Å; R927-G957 VanDerWaalsContact NH1-C 3.27Å; R927-T961 WeakPolarHBondContact CD-OG1 3.12Å; R927-T961 HydrophobicContact CG-CG2 4.07Å; R927-T961 WeakPolarHBondContact CG-OG1 3.44Å
928	N	91.4	Very high	93	Very high	36 Å²	36	40.9 Å²	40.9	19%	0.193	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	10	178.9	-65.2	-85.1	0	0	0	112.8	I924 K926 D930 M931 L932 A948	I924-N928 PolarHBondContact O-N 2.74Å; I924-N928 PolarHBondContact O-ND2 3Å; K926-N928 VanDerWaalsContact C-N 3.3Å; K926-N928 PolarHBondContact O-N 2.84Å; N928-D930 PolarHBondContact O-N 3.44Å; N928-M931 HydrophobicContact CB-CE 4.28Å; N928-L932 HydrophobicContact CB-CD1 4.04Å; N928-L932 HydrophobicContact CB-CG 4.36Å; N928-L932 WeakPolarHBondContact O-CB 3.43Å; N928-L932 VanDerWaalsContact O-CG 3.26Å; N928-L932 WeakPolarHBondContact O-CG 3.45Å; N928-L932 PolarHBondContact O-N 2.75Å; N928-A948 HydrophobicContact CB-CB 3.92Å; N928-A948 VanDerWaalsContact OD1-CB 3.29Å; N928-A948 WeakPolarHBondContact OD1-CB 3.27Å
929	Q	94.3	Very high	92.2	Very high	23 Å²	23	45.4 Å²	45.4	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-45.6	-167.1	-172.1	-160.8	-98.6	0	0	112.8	L870 L925 K926 L932 L933	L870-Q929 HydrophobicContact CB-CG 4.22Å; L925-Q929 WeakPolarHBondContact O-CA 3.42Å; L925-Q929 PolarHBondContact O-N 2.85Å; L925-Q929 VanDerWaalsContact O-N 3.13Å; K926-Q929 VanDerWaalsContact O-CB 3.28Å; K926-Q929 WeakPolarHBondContact O-CB 3.21Å; K926-Q929 PolarHBondContact O-N 3.38Å; Q929-L932 CarbonylContact O-C 3.53Å; Q929-L932 PolarHBondContact O-N 3.07Å; Q929-L933 HydrophobicContact CG-CD1 3.89Å; Q929-L933 HydrophobicContact CG-CG 4.35Å; Q929-L933 WeakPolarHBondContact O-CB 3.28Å; Q929-L933 VanDerWaalsContact O-CG 3.23Å; Q929-L933 WeakPolarHBondContact O-CG 3.4Å; Q929-L933 PolarHBondContact O-N 3.49Å
930	D	90.3	Very high	91.4	Very high	87 Å²	87	45 Å²	45	47%	0.465	23%	0.234	S	C	.	.	H	α-helix	trans	-75.8	-41.8	-171	-59.3	-56.2	0	0	0	111.9	R869 N928 L932 L933 E934	R869-D930 IonicContact NH1-OD1 3.11Å; R869-D930 PolarHBondContact NH1-OD1 3.49Å; N928-D930 PolarHBondContact O-N 3.44Å; D930-L932 PolarHBondContact O-N 3.26Å; D930-L933 WeakPolarHBondContact O-CA 2.97Å; D930-L933 WeakPolarHBondContact O-CB 3.38Å; D930-L933 PolarHBondContact O-N 3.36Å; D930-E934 WeakPolarHBondContact O-CG 3.31Å; D930-E934 PolarHBondContact O-N 3.24Å; D930-E934 VanDerWaalsContact O-N 3.09Å
931	M	89.8	Confident	91	Very high	68 Å²	68	45 Å²	45	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-55.3	-39.7	168	-179.6	-172.4	64.9	0	0	112	N928 Q935 C944 A948	N928-M931 HydrophobicContact CB-CE 4.28Å; M931-Q935 WeakPolarHBondContact O-CG 3.41Å; M931-Q935 PolarHBondContact O-NE2 2.88Å; M931-C944 HydrophobicContact CE-CB 4.12Å; M931-C944 HydrophobicContact SD-CB 4.44Å; M931-A948 HydrophobicContact CE-CB 3.96Å
932	L	91.9	Very high	90.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.9	-25.1	176.5	-69.2	172.9	0	0	0	113.1	L870 L925 N928 Q929 D930 F941 C944 L945	L870-L932 HydrophobicContact CD1-CB 3.81Å; L870-L932 HydrophobicContact CD2-CD1 4.45Å; L925-L932 HydrophobicContact CD2-CD1 4.19Å; N928-L932 HydrophobicContact CB-CD1 4.04Å; N928-L932 HydrophobicContact CB-CG 4.36Å; N928-L932 WeakPolarHBondContact O-CB 3.43Å; N928-L932 VanDerWaalsContact O-CG 3.26Å; N928-L932 WeakPolarHBondContact O-CG 3.45Å; N928-L932 PolarHBondContact O-N 2.75Å; Q929-L932 CarbonylContact O-C 3.53Å; Q929-L932 PolarHBondContact O-N 3.07Å; D930-L932 PolarHBondContact O-N 3.26Å; L932-F941 HydrophobicContact CB-CE2 3.87Å; L932-F941 HydrophobicContact CB-CZ 4.4Å; L932-F941 HydrophobicContact CD2-CD2 4.28Å; L932-F941 HydrophobicContact CD2-CE1 4.45Å; L932-F941 HydrophobicContact CD2-CE2 3.96Å; L932-F941 HydrophobicContact CD2-CZ 4.02Å; L932-F941 HydrophobicContact CG-CE2 4.4Å; L932-C944 HydrophobicContact CD2-CB 4.15Å; L932-L945 HydrophobicContact CD1-CD1 4.12Å; L932-L945 HydrophobicContact CD2-CB 4.02Å; L932-L945 HydrophobicContact CD2-CD1 4.49Å
933	L	93.6	Very high	89.7	Confident	31 Å²	31	51.2 Å²	51.2	16%	0.162	26%	0.259	C	S	.	.	H	α-helix	trans	-80.9	-19.2	176.3	-76.9	172.6	0	0	0	113.6	R869 L870 H873 Q929 D930 Q935	R869-L933 HydrophobicContact CB-CD1 3.96Å; R869-L933 HydrophobicContact CB-CD2 4.22Å; L870-L933 HydrophobicContact CD1-CD2 4.38Å; L870-L933 HydrophobicContact CD1-CG 4.46Å; H873-L933 HydrophobicContact CB-CD2 3.59Å; H873-L933 PolarHBondContact CE1-O 3.1Å; H873-L933 PolarHBondContact ND1-O 2.99Å; Q929-L933 HydrophobicContact CG-CD1 3.89Å; Q929-L933 HydrophobicContact CG-CG 4.35Å; Q929-L933 WeakPolarHBondContact O-CB 3.28Å; Q929-L933 VanDerWaalsContact O-CG 3.23Å; Q929-L933 WeakPolarHBondContact O-CG 3.4Å; Q929-L933 PolarHBondContact O-N 3.49Å; D930-L933 WeakPolarHBondContact O-CA 2.97Å; D930-L933 WeakPolarHBondContact O-CB 3.38Å; D930-L933 PolarHBondContact O-N 3.36Å; L933-Q935 VanDerWaalsContact C-N 3.32Å
934	E	92	Very high	89.1	Confident	149 Å²	149	52.5 Å²	52.5	70%	0.696	27%	0.267	S	S	*	.	S	Bend	trans	-75.3	-19.9	174.9	-72	166.6	174.8	0	0	113	D930 S936	D930-E934 WeakPolarHBondContact O-CG 3.31Å; D930-E934 PolarHBondContact O-N 3.24Å; D930-E934 VanDerWaalsContact O-N 3.09Å; E934-S936 PolarHBondContact O-N 3.07Å
935	Q	89.4	Confident	88.8	Confident	32 Å²	32	52.5 Å²	52.5	15%	0.15	27%	0.267	C	S	.	.			trans	-71.8	127	-172.5	-52	-51.8	-50.2	0	0	112	H873 R876 M931 L933 F941 C944	H873-Q935 PolarHBondContact CE1-O 3.08Å; H873-Q935 PolarHBondContact NE2-O 3.01Å; R876-Q935 PolarHBondContact NH2-O 2.86Å; M931-Q935 WeakPolarHBondContact O-CG 3.41Å; M931-Q935 PolarHBondContact O-NE2 2.88Å; L933-Q935 VanDerWaalsContact C-N 3.32Å; Q935-F941 HydrophobicContact CB-CB 4.1Å; Q935-F941 HydrophobicContact CB-CD2 4.28Å; Q935-C944 VanDerWaalsContact CD-SG 3.58Å; Q935-C944 HydrophobicContact CG-CB 4.32Å
936	S	86.7	Confident	88.2	Confident	95 Å²	95	56.3 Å²	56.3	66%	0.664	28%	0.284	S	S	*	.			trans	-88.5	-24.2	-176.2	61.4	0	0	0	0	113.6	L877 E934	L877-S936 VanDerWaalsContact CD2-O 3.28Å; L877-S936 WeakPolarHBondContact CD2-O 3.42Å; E934-S936 PolarHBondContact O-N 3.07Å
937	D	84.6	Confident	87.3	Confident	55 Å²	55	53.7 Å²	53.7	29%	0.294	28%	0.276	S	S	.	.	S	Bend	trans	-131.4	168.4	-174.7	76.4	92.6	0	0	0	113.2	I939 S940 F941	D937-I939 WeakPolarHBondContact OD1-CA 3.26Å; D937-I939 WeakPolarHBondContact OD1-CB 3.29Å; D937-I939 PolarHBondContact OD1-N 2.91Å; D937-S940 PolarHBondContact OD1-N 3.13Å; D937-S940 PolarHBondContact OD1-OG 2.9Å; D937-S940 WeakPolarHBondContact OD2-CB 3.46Å; D937-S940 PolarHBondContact OD2-OG 3.16Å; D937-F941 WeakPolarHBondContact O-CB 3.34Å; D937-F941 PolarHBondContact O-N 3.14Å
938	T	86.8	Confident	86.8	Confident	59 Å²	59	49.1 Å²	49.1	36%	0.362	26%	0.26	S	S	.	.	H	α-helix	trans	-74.1	-32	-175.7	55.4	0	0	0	0	114.2	L877 I879 W942	L877-T938 HydrophobicContact CB-CG2 4.26Å; L877-T938 VanDerWaalsContact O-CG2 3.25Å; L877-T938 WeakPolarHBondContact O-CG2 3.31Å; I879-T938 HydrophobicContact CD1-CG2 4.08Å; I879-T938 HydrophobicContact CG1-CG2 3.81Å; T938-W942 PolarHBondContact O-N 3.05Å
939	I	80.3	Confident	86.6	Confident	95 Å²	95	47.7 Å²	47.7	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-74	-46.5	-177	-58	176.2	0	0	0	109.3	D937 F941 W942 K943	D937-I939 WeakPolarHBondContact OD1-CA 3.26Å; D937-I939 WeakPolarHBondContact OD1-CB 3.29Å; D937-I939 PolarHBondContact OD1-N 2.91Å; I939-F941 VanDerWaalsContact C-N 3.34Å; I939-W942 PolarHBondContact O-N 3.1Å; I939-K943 HydrophobicContact CG2-CD 4.28Å; I939-K943 WeakPolarHBondContact O-CB 3.38Å; I939-K943 WeakPolarHBondContact O-CG 3.49Å; I939-K943 PolarHBondContact O-N 2.83Å
940	S	79.6	Confident	85.9	Confident	40 Å²	40	52.1 Å²	52.1	28%	0.28	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-39.7	175	-51.9	0	0	0	0	111.3	D937 W942 K943 C944	D937-S940 PolarHBondContact OD1-N 3.13Å; D937-S940 PolarHBondContact OD1-OG 2.9Å; D937-S940 WeakPolarHBondContact OD2-CB 3.46Å; D937-S940 PolarHBondContact OD2-OG 3.16Å; S940-W942 PolarHBondContact O-N 2.72Å; S940-K943 PolarHBondContact O-N 3.43Å; S940-C944 WeakPolarHBondContact O-CB 3.21Å; S940-C944 PolarHBondContact O-N 3.36Å; S940-C944 PolarHBondContact O-SG 3.4Å
941	F	88.9	Confident	85.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-49.8	171.9	-172.5	-80.8	0	0	0	112.4	L870 L874 L877 I879 L932 Q935 D937 I939 K943 C944 L945	L870-F941 HydrophobicContact CD1-CE2 4.08Å; L870-F941 HydrophobicContact CD1-CZ 4.36Å; L874-F941 HydrophobicContact CD2-CE1 3.72Å; L874-F941 HydrophobicContact CD2-CE2 4.08Å; L874-F941 HydrophobicContact CD2-CZ 3.4Å; L874-F941 VanDerWaalsContact CD2-CZ 3.4Å; L874-F941 HydrophobicContact CG-CZ 4.29Å; L877-F941 HydrophobicContact CD1-CB 4.26Å; L877-F941 HydrophobicContact CD1-CD2 4.26Å; L877-F941 HydrophobicContact CD1-CG 4.47Å; I879-F941 HydrophobicContact CD1-CB 3.64Å; I879-F941 HydrophobicContact CD1-CD1 3.44Å; I879-F941 VanDerWaalsContact CD1-CD1 3.44Å; I879-F941 HydrophobicContact CD1-CD2 4.11Å; I879-F941 HydrophobicContact CD1-CE1 4.14Å; I879-F941 HydrophobicContact CD1-CG 3.44Å; I879-F941 VanDerWaalsContact CD1-CG 3.44Å; I879-F941 HydrophobicContact CG2-CD1 4.22Å; I879-F941 HydrophobicContact CG2-CE1 4.12Å; L932-F941 HydrophobicContact CB-CE2 3.87Å; L932-F941 HydrophobicContact CB-CZ 4.4Å; L932-F941 HydrophobicContact CD2-CD2 4.28Å; L932-F941 HydrophobicContact CD2-CE1 4.45Å; L932-F941 HydrophobicContact CD2-CE2 3.96Å; L932-F941 HydrophobicContact CD2-CZ 4.02Å; L932-F941 HydrophobicContact CG-CE2 4.4Å; Q935-F941 HydrophobicContact CB-CB 4.1Å; Q935-F941 HydrophobicContact CB-CD2 4.28Å; D937-F941 WeakPolarHBondContact O-CB 3.34Å; D937-F941 PolarHBondContact O-N 3.14Å; I939-F941 VanDerWaalsContact C-N 3.34Å; F941-K943 PolarHBondContact O-N 3.36Å; F941-C944 PolarHBondContact O-N 3.43Å; F941-L945 HydrophobicContact CE1-CB 4.39Å; F941-L945 HydrophobicContact CE1-CD2 4.08Å; F941-L945 WeakPolarHBondContact O-CB 3.5Å; F941-L945 PolarHBondContact O-N 2.93Å
942	W	86.6	Confident	85.1	Confident	65 Å²	65	47.7 Å²	47.7	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-37.7	178.6	-73.8	129.1	0	0	0	112.9	I879 D880 A883 V884 T938 I939 S940 L945 K946	I879-W942 HydrophobicContact CG2-CH2 3.78Å; I879-W942 HydrophobicContact CG2-CZ2 3.6Å; I879-W942 HydrophobicContact CG2-CZ3 4.43Å; D880-W942 WeakPolarHBondContact O-CH2 3.35Å; A883-W942 HydrophobicContact CB-CH2 4.01Å; A883-W942 HydrophobicContact CB-CZ2 4.19Å; V884-W942 HydrophobicContact CB-CZ3 3.94Å; V884-W942 HydrophobicContact CG2-CE3 3.79Å; V884-W942 HydrophobicContact CG2-CH2 4.1Å; V884-W942 HydrophobicContact CG2-CZ3 3.38Å; T938-W942 PolarHBondContact O-N 3.05Å; I939-W942 PolarHBondContact O-N 3.1Å; S940-W942 PolarHBondContact O-N 2.72Å; W942-L945 HydrophobicContact CE3-CD2 4.03Å; W942-L945 HydrophobicContact CZ3-CD2 3.83Å; W942-K946 WeakPolarHBondContact O-CB 3.16Å; W942-K946 WeakPolarHBondContact O-CG 3.16Å; W942-K946 PolarHBondContact O-N 3.42Å
943	K	79.3	Confident	84.4	Confident	65 Å²	65	49.5 Å²	49.5	28%	0.283	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-49.9	173.6	-77	179.4	167.2	-151.9	0	111.3	T606 I939 S940 F941 K946 A947	T606-K943 PolarHBondContact O-NZ 2.89Å; T606-K943 WeakPolarHBondContact OG1-CB 3.44Å; T606-K943 WeakPolarHBondContact OG1-CD 3.32Å; T606-K943 VanDerWaalsContact OG1-CG 3.27Å; T606-K943 WeakPolarHBondContact OG1-CG 3.45Å; I939-K943 HydrophobicContact CG2-CD 4.28Å; I939-K943 WeakPolarHBondContact O-CB 3.38Å; I939-K943 WeakPolarHBondContact O-CG 3.49Å; I939-K943 PolarHBondContact O-N 2.83Å; S940-K943 PolarHBondContact O-N 3.43Å; F941-K943 PolarHBondContact O-N 3.36Å; K943-K946 PolarHBondContact O-N 2.8Å; K943-A947 WeakPolarHBondContact O-CB 3.37Å; K943-A947 PolarHBondContact O-N 3.21Å
944	C	83.7	Confident	83.8	Confident	26 Å²	26	50.8 Å²	50.8	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-38.6	178.7	-68.8	0	0	0	0	112.5	M931 L932 Q935 S940 F941 A947 A948	M931-C944 HydrophobicContact CE-CB 4.12Å; M931-C944 HydrophobicContact SD-CB 4.44Å; L932-C944 HydrophobicContact CD2-CB 4.15Å; Q935-C944 VanDerWaalsContact CD-SG 3.58Å; Q935-C944 HydrophobicContact CG-CB 4.32Å; S940-C944 WeakPolarHBondContact O-CB 3.21Å; S940-C944 PolarHBondContact O-N 3.36Å; S940-C944 PolarHBondContact O-SG 3.4Å; F941-C944 PolarHBondContact O-N 3.43Å; C944-A947 PolarHBondContact O-N 2.91Å; C944-A948 VanDerWaalsContact O-CB 3.25Å; C944-A948 WeakPolarHBondContact O-CB 3.12Å; C944-A948 PolarHBondContact O-N 2.8Å
945	L	89.7	Confident	83.5	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-41.8	176.3	-177.2	61.7	0	0	0	112.5	W888 L925 L932 F941 W942 A947 A948 T949	W888-L945 HydrophobicContact CH2-CD1 4.32Å; W888-L945 HydrophobicContact CZ2-CD1 4.48Å; L925-L945 HydrophobicContact CD2-CD1 3.72Å; L932-L945 HydrophobicContact CD1-CD1 4.12Å; L932-L945 HydrophobicContact CD2-CB 4.02Å; L932-L945 HydrophobicContact CD2-CD1 4.49Å; F941-L945 HydrophobicContact CE1-CB 4.39Å; F941-L945 HydrophobicContact CE1-CD2 4.08Å; F941-L945 WeakPolarHBondContact O-CB 3.5Å; F941-L945 PolarHBondContact O-N 2.93Å; W942-L945 HydrophobicContact CE3-CD2 4.03Å; W942-L945 HydrophobicContact CZ3-CD2 3.83Å; L945-A947 VanDerWaalsContact C-N 3.34Å; L945-A948 PolarHBondContact O-N 2.6Å; L945-T949 HydrophobicContact CD1-CG2 4.44Å; L945-T949 WeakPolarHBondContact O-CG2 3.48Å; L945-T949 PolarHBondContact O-N 3.09Å
946	K	83.8	Confident	83.2	Confident	81 Å²	81	47.5 Å²	47.5	35%	0.352	25%	0.251	S	S	.	.	H	α-helix	trans	-66.8	-34.7	175.3	-73.2	-172.8	-178.6	-168	0	112.4	H610 W942 K943 R950	H610-K946 PolarHBondContact CD2-NZ 3.35Å; H610-K946 PolarHBondContact NE2-NZ 2.88Å; W942-K946 WeakPolarHBondContact O-CB 3.16Å; W942-K946 WeakPolarHBondContact O-CG 3.16Å; W942-K946 PolarHBondContact O-N 3.42Å; K943-K946 PolarHBondContact O-N 2.8Å; K946-R950 WeakPolarHBondContact O-CB 3.33Å; K946-R950 WeakPolarHBondContact O-CG 3.43Å; K946-R950 PolarHBondContact O-N 3.4Å
947	A	77.5	Confident	83.3	Confident	20 Å²	20	43.8 Å²	43.8	17%	0.165	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-48.2	173.6	0	0	0	0	0	111.4	K943 C944 L945 T949 R950 L951	K943-A947 WeakPolarHBondContact O-CB 3.37Å; K943-A947 PolarHBondContact O-N 3.21Å; C944-A947 PolarHBondContact O-N 2.91Å; L945-A947 VanDerWaalsContact C-N 3.34Å; A947-T949 VanDerWaalsContact C-N 3.34Å; A947-T949 PolarHBondContact O-N 3.39Å; A947-R950 PolarHBondContact O-N 3Å; A947-L951 WeakPolarHBondContact O-CB 3.1Å; A947-L951 WeakPolarHBondContact O-CG 3.46Å; A947-L951 PolarHBondContact O-N 2.89Å
948	A	82.5	Confident	83.7	Confident	4 Å²	4	41.2 Å²	41.2	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-49.7	-50.2	177.6	0	0	0	0	0	113	N928 M931 C944 L945 L951 T952	N928-A948 HydrophobicContact CB-CB 3.92Å; N928-A948 VanDerWaalsContact OD1-CB 3.29Å; N928-A948 WeakPolarHBondContact OD1-CB 3.27Å; M931-A948 HydrophobicContact CE-CB 3.96Å; C944-A948 VanDerWaalsContact O-CB 3.25Å; C944-A948 WeakPolarHBondContact O-CB 3.12Å; C944-A948 PolarHBondContact O-N 2.8Å; L945-A948 PolarHBondContact O-N 2.6Å; A948-L951 PolarHBondContact O-N 3.45Å; A948-T952 PolarHBondContact O-N 2.95Å; A948-T952 PolarHBondContact O-OG1 2.66Å
949	T	86.6	Confident	84	Confident	6 Å²	6	39 Å²	39	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-71.2	-40.8	-176.8	72.3	0	0	0	0	111.6	W888 S896 P898 I924 L945 A947 L951 T952	W888-T949 HydrophobicContact CH2-CG2 3.78Å; W888-T949 HydrophobicContact CZ2-CG2 3.35Å; S896-T949 CarbonylContact O-C 3.55Å; S896-T949 WeakPolarHBondContact O-CB 3.09Å; S896-T949 PolarHBondContact O-OG1 3.14Å; P898-T949 WeakPolarHBondContact CD-O 3.36Å; I924-T949 HydrophobicContact CG2-CG2 3.7Å; L945-T949 HydrophobicContact CD1-CG2 4.44Å; L945-T949 WeakPolarHBondContact O-CG2 3.48Å; L945-T949 PolarHBondContact O-N 3.09Å; A947-T949 VanDerWaalsContact C-N 3.34Å; A947-T949 PolarHBondContact O-N 3.39Å; T949-L951 PolarHBondContact O-N 3.15Å; T949-T952 WeakPolarHBondContact O-CB 3.36Å; T949-T952 PolarHBondContact O-N 3.05Å; T949-T952 PolarHBondContact O-OG1 3.27Å
950	R	80.9	Confident	84.6	Confident	115 Å²	115	39.5 Å²	39.5	43%	0.434	20%	0.199	S	C	.	.	H	α-helix	trans	-68.6	-18.4	177	-70.9	-175.5	170.8	-122.6	-22.3	114.2	D895 K946 A947	D895-R950 PolarHBondContact O-NH2 3.41Å; D895-R950 IonicContact OD1-CZ 2.71Å; D895-R950 IonicContact OD1-NH2 2.79Å; D895-R950 PolarHBondContact OD1-NH2 3.45Å; D895-R950 IonicContact OD2-NH2 3.91Å; D895-R950 PolarHBondContact OD2-NH2 2.88Å; D895-R950 VanDerWaalsContact OD2-NH2 3.09Å; K946-R950 WeakPolarHBondContact O-CB 3.33Å; K946-R950 WeakPolarHBondContact O-CG 3.43Å; K946-R950 PolarHBondContact O-N 3.4Å; A947-R950 PolarHBondContact O-N 3Å
951	L	77.4	Confident	85.3	Confident	53 Å²	53	37.8 Å²	37.8	28%	0.277	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	11.2	175.6	-62.6	173.5	0	0	0	113.2	G602 L612 A947 A948 T949 N953	G602-L951 WeakPolarHBondContact O-CD1 3.23Å; L612-L951 HydrophobicContact CD1-CD2 4.47Å; A947-L951 WeakPolarHBondContact O-CB 3.1Å; A947-L951 WeakPolarHBondContact O-CG 3.46Å; A947-L951 PolarHBondContact O-N 2.89Å; A948-L951 PolarHBondContact O-N 3.45Å; T949-L951 PolarHBondContact O-N 3.15Å; L951-N953 PolarHBondContact O-N 2.77Å
952	T	85.1	Confident	85.6	Confident	10 Å²	10	37.8 Å²	37.8	6%	0.061	19%	0.187	C	C	.	.			trans	-77	61.7	176.8	-55.4	0	0	0	0	111.3	T901 I924 A948 T949 L958	T901-T952 HydrophobicContact CG2-CG2 4.23Å; T901-T952 WeakPolarHBondContact CG2-O 3.47Å; T901-T952 PolarHBondContact OG1-O 3.25Å; I924-T952 HydrophobicContact CG1-CG2 4.43Å; A948-T952 PolarHBondContact O-N 2.95Å; A948-T952 PolarHBondContact O-OG1 2.66Å; T949-T952 WeakPolarHBondContact O-CB 3.36Å; T949-T952 PolarHBondContact O-N 3.05Å; T949-T952 PolarHBondContact O-OG1 3.27Å; T952-L958 HydrophobicContact CG2-CB 4.43Å; T952-L958 HydrophobicContact CG2-CD1 4.27Å; T952-L958 HydrophobicContact CG2-CD2 3.87Å; T952-L958 HydrophobicContact CG2-CG 4.41Å
953	N	77	Confident	85.9	Confident	37 Å²	37	35.4 Å²	35.4	20%	0.198	18%	0.178	C	C	.	.			trans	-80.8	-25.9	178.3	-57.6	-45.1	0	0	0	112.7	H670 P898 L951 V955	H670-N953 PolarHBondContact CE1-ND2 3.36Å; P898-N953 WeakPolarHBondContact CG-OD1 3.26Å; L951-N953 PolarHBondContact O-N 2.77Å; N953-V955 VanDerWaalsContact C-N 3.34Å; N953-V955 WeakPolarHBondContact O-CG2 3.43Å; N953-V955 PolarHBondContact O-N 2.91Å
954	D	81.3	Confident	86.6	Confident	58 Å²	58	37.3 Å²	37.3	31%	0.31	19%	0.188	S	C	.	.			trans	-79.6	80.4	-180	176.9	13.3	0	0	0	110.9	R927 G957 L958	R927-D954 IonicContact CZ-OD2 3.58Å; R927-D954 PolarHBondContact NH1-O 2.97Å; R927-D954 IonicContact NH1-OD2 3.94Å; R927-D954 IonicContact NH2-OD2 3.71Å; R927-D954 PolarHBondContact NH2-OD2 3.1Å; D954-G957 PolarHBondContact OD1-N 3.43Å; D954-G957 VanDerWaalsContact OD1-N 3.08Å; D954-L958 PolarHBondContact O-N 3.29Å; D954-L958 VanDerWaalsContact O-N 3.08Å
955	V	85.4	Confident	87	Confident	14 Å²	14	40.8 Å²	40.8	9%	0.085	20%	0.202	C	C	.	.	H	α-helix	trans	-68.4	-41	-172.9	-166.8	0	0	0	0	112.8	T901 R904 N953 L958 I959	T901-V955 HydrophobicContact CG2-CG1 4.47Å; T901-V955 HydrophobicContact CG2-CG2 4.26Å; R904-V955 HydrophobicContact CB-CG1 3.52Å; R904-V955 HydrophobicContact CG-CG1 3.84Å; N953-V955 VanDerWaalsContact C-N 3.34Å; N953-V955 WeakPolarHBondContact O-CG2 3.43Å; N953-V955 PolarHBondContact O-N 2.91Å; V955-L958 WeakPolarHBondContact O-CA 3.24Å; V955-L958 WeakPolarHBondContact O-CB 3.37Å; V955-L958 PolarHBondContact O-N 3.4Å; V955-I959 HydrophobicContact CG1-CD1 3.99Å; V955-I959 PolarHBondContact O-N 3.18Å
956	D	84.5	Confident	87.1	Confident	98 Å²	98	41.1 Å²	41.1	52%	0.524	20%	0.204	S	C	.	.	H	α-helix	trans	-70.2	-36.6	-178.1	-57.8	-44.2	0	0	0	111	R904 L958 I959 K960	R904-D956 IonicContact CZ-OD1 3.5Å; R904-D956 VanDerWaalsContact CZ-OD1 3.26Å; R904-D956 IonicContact NH1-OD1 2.68Å; R904-D956 PolarHBondContact NH1-OD1 2.82Å; R904-D956 IonicContact NH2-OD1 2.77Å; R904-D956 PolarHBondContact NH2-OD1 2.98Å; D956-L958 VanDerWaalsContact C-N 3.3Å; D956-L958 PolarHBondContact O-N 2.99Å; D956-I959 PolarHBondContact O-N 2.81Å; D956-K960 WeakPolarHBondContact O-CB 3.17Å; D956-K960 PolarHBondContact O-N 3.05Å
957	G	87.3	Confident	87.3	Confident	18 Å²	18	45.7 Å²	45.7	19%	0.186	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-36	167.2	0	0	0	0	0	113.1	R927 D954 T961	R927-G957 VanDerWaalsContact NH1-C 3.27Å; D954-G957 PolarHBondContact OD1-N 3.43Å; D954-G957 VanDerWaalsContact OD1-N 3.08Å; G957-T961 PolarHBondContact O-N 3.34Å; G957-T961 PolarHBondContact O-OG1 3.32Å
958	L	93.5	Very high	87.9	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-44.6	176.9	177.7	69	0	0	0	111.5	T901 F920 A923 I924 T952 D954 V955 D956 K960 T961 A962	T901-L958 HydrophobicContact CG2-CD2 3.73Å; F920-L958 HydrophobicContact CD1-CD1 4.47Å; F920-L958 HydrophobicContact CD1-CD2 3.79Å; F920-L958 HydrophobicContact CD1-CG 3.86Å; F920-L958 HydrophobicContact CE1-CD2 4.16Å; F920-L958 HydrophobicContact CE1-CG 4.15Å; A923-L958 HydrophobicContact CB-CD1 3.67Å; I924-L958 HydrophobicContact CG1-CD1 3.73Å; I924-L958 HydrophobicContact CG1-CD2 4.42Å; T952-L958 HydrophobicContact CG2-CB 4.43Å; T952-L958 HydrophobicContact CG2-CD1 4.27Å; T952-L958 HydrophobicContact CG2-CD2 3.87Å; T952-L958 HydrophobicContact CG2-CG 4.41Å; D954-L958 PolarHBondContact O-N 3.29Å; D954-L958 VanDerWaalsContact O-N 3.08Å; V955-L958 WeakPolarHBondContact O-CA 3.24Å; V955-L958 WeakPolarHBondContact O-CB 3.37Å; V955-L958 PolarHBondContact O-N 3.4Å; D956-L958 VanDerWaalsContact C-N 3.3Å; D956-L958 PolarHBondContact O-N 2.99Å; L958-K960 VanDerWaalsContact C-N 3.35Å; L958-T961 PolarHBondContact O-N 2.73Å; L958-A962 WeakPolarHBondContact O-CB 3.29Å; L958-A962 PolarHBondContact O-N 3.15Å
959	I	92.8	Very high	88.4	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.072	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-40.3	177.5	-73.2	170.6	0	0	0	110.3	R715 R904 F920 V955 D956 T961 A962 F963	R715-I959 HydrophobicContact CB-CG2 4.29Å; R715-I959 WeakPolarHBondContact O-CD1 3.49Å; R904-I959 HydrophobicContact CB-CD1 4.5Å; R904-I959 VanDerWaalsContact NH2-CD1 3.32Å; F920-I959 HydrophobicContact CE1-CG1 3.69Å; F920-I959 HydrophobicContact CZ-CG1 3.88Å; V955-I959 HydrophobicContact CG1-CD1 3.99Å; V955-I959 PolarHBondContact O-N 3.18Å; D956-I959 PolarHBondContact O-N 2.81Å; I959-T961 PolarHBondContact O-N 2.96Å; I959-A962 PolarHBondContact O-N 2.91Å; I959-F963 HydrophobicContact CG2-CD2 4Å; I959-F963 WeakPolarHBondContact O-CB 3.24Å; I959-F963 WeakPolarHBondContact O-CD2 3.28Å; I959-F963 PolarHBondContact O-N 2.95Å
960	K	92.7	Very high	88.6	Confident	105 Å²	105	50.9 Å²	50.9	46%	0.457	25%	0.248	S	C	.	.	H	α-helix	trans	-57.7	-47.8	172.1	-165.6	-176.7	-176.1	-175.1	0	111.9	D956 L958 A962 E964 E965	D956-K960 WeakPolarHBondContact O-CB 3.17Å; D956-K960 PolarHBondContact O-N 3.05Å; L958-K960 VanDerWaalsContact C-N 3.35Å; K960-A962 PolarHBondContact O-N 2.96Å; K960-E964 WeakPolarHBondContact CE-OE2 3.49Å; K960-E964 HydrophobicContact CG-CB 4.32Å; K960-E964 HydrophobicContact CG-CG 4.3Å; K960-E964 WeakPolarHBondContact CG-OE2 3.38Å; K960-E964 WeakPolarHBondContact O-CA 3.08Å; K960-E964 VanDerWaalsContact O-CB 3.31Å; K960-E964 WeakPolarHBondContact O-CB 3.43Å; K960-E964 PolarHBondContact O-N 3.35Å; K960-E965 PolarHBondContact O-N 3.1Å
961	T	94.8	Very high	89	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	26%	0.259	C	S	.	.	I	π-helix	trans	-60.2	-45.5	174.1	-59.9	0	0	0	0	112	A923 K926 R927 G957 L958 I959 F963 E965 L966	A923-T961 HydrophobicContact CB-CG2 3.82Å; K926-T961 HydrophobicContact CB-CG2 3.86Å; K926-T961 HydrophobicContact CG-CG2 3.52Å; R927-T961 WeakPolarHBondContact CD-OG1 3.12Å; R927-T961 HydrophobicContact CG-CG2 4.07Å; R927-T961 WeakPolarHBondContact CG-OG1 3.44Å; G957-T961 PolarHBondContact O-N 3.34Å; G957-T961 PolarHBondContact O-OG1 3.32Å; L958-T961 PolarHBondContact O-N 2.73Å; I959-T961 PolarHBondContact O-N 2.96Å; T961-F963 PolarHBondContact O-N 2.83Å; T961-E965 WeakPolarHBondContact CA-OE2 3.41Å; T961-E965 VanDerWaalsContact CB-OE2 3.28Å; T961-E965 WeakPolarHBondContact CB-OE2 3.44Å; T961-E965 HydrophobicContact CG2-CB 4.44Å; T961-E965 WeakPolarHBondContact CG2-OE2 3.27Å; T961-E965 PolarHBondContact O-N 2.68Å; T961-E965 PolarHBondContact OG1-OE2 3.34Å; T961-L966 HydrophobicContact CG2-CD1 4.42Å; T961-L966 HydrophobicContact CG2-CG 4.29Å; T961-L966 VanDerWaalsContact O-CG 3.31Å; T961-L966 WeakPolarHBondContact O-CG 3.36Å; T961-L966 PolarHBondContact O-N 3.09Å
962	A	95.1	Very high	89.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	I	π-helix	trans	-66.4	-31.4	-176.7	0	0	0	0	0	114.6	R919 F920 A923 L958 I959 K960	R919-A962 HydrophobicContact CB-CB 4.32Å; R919-A962 PolarHBondContact NH1-O 3.15Å; F920-A962 HydrophobicContact CD1-CB 4.01Å; F920-A962 HydrophobicContact CE1-CB 4.02Å; A923-A962 HydrophobicContact CB-CB 3.82Å; L958-A962 WeakPolarHBondContact O-CB 3.29Å; L958-A962 PolarHBondContact O-N 3.15Å; I959-A962 PolarHBondContact O-N 2.91Å; K960-A962 PolarHBondContact O-N 2.96Å
963	F	93.4	Very high	89.6	Confident	15 Å²	15	59.1 Å²	59.1	7%	0.066	29%	0.293	C	S	.	.	I	π-helix	trans	-117.3	-14.7	-171.9	-70.9	-82.9	0	0	0	115.3	R715 V908 E912 F920 I959 T961 R967	R715-F963 HydrophobicContact CG-CD2 4.46Å; R715-F963 HydrophobicContact CG-CE2 4.41Å; R715-F963 HydrophobicContact CG-CZ 4.46Å; R715-F963 VanDerWaalsContact NE-CE1 3.35Å; V908-F963 HydrophobicContact CG1-CE2 4.27Å; V908-F963 HydrophobicContact CG1-CZ 3.76Å; E912-F963 WeakPolarHBondContact OE1-CE1 3.44Å; F920-F963 HydrophobicContact CE2-CE2 4.42Å; F920-F963 HydrophobicContact CZ-CE2 4.02Å; I959-F963 HydrophobicContact CG2-CD2 4Å; I959-F963 WeakPolarHBondContact O-CB 3.24Å; I959-F963 WeakPolarHBondContact O-CD2 3.28Å; I959-F963 PolarHBondContact O-N 2.95Å; T961-F963 PolarHBondContact O-N 2.83Å; F963-R967 VanDerWaalsContact O-CZ 3.24Å; F963-R967 PolarHBondContact O-NE 3.45Å; F963-R967 PolarHBondContact O-NH2 3.44Å
964	E	92.6	Very high	90.3	Very high	106 Å²	106	60.8 Å²	60.8	50%	0.495	30%	0.302	S	S	.	.	I	π-helix	trans	-115.8	-60	174.6	-60.4	177.8	-165.6	0	0	112	K960 L966 R967	K960-E964 WeakPolarHBondContact CE-OE2 3.49Å; K960-E964 HydrophobicContact CG-CB 4.32Å; K960-E964 HydrophobicContact CG-CG 4.3Å; K960-E964 WeakPolarHBondContact CG-OE2 3.38Å; K960-E964 WeakPolarHBondContact O-CA 3.08Å; K960-E964 VanDerWaalsContact O-CB 3.31Å; K960-E964 WeakPolarHBondContact O-CB 3.43Å; K960-E964 PolarHBondContact O-N 3.35Å; E964-L966 VanDerWaalsContact C-N 3.31Å; E964-L966 PolarHBondContact O-N 3.03Å; E964-R967 VanDerWaalsContact O-CB 3.32Å; E964-R967 WeakPolarHBondContact O-CB 3.06Å; E964-R967 VanDerWaalsContact O-CG 3.27Å; E964-R967 WeakPolarHBondContact O-CG 3.34Å; E964-R967 PolarHBondContact O-N 3.37Å; E964-R967 VanDerWaalsContact O-N 3.13Å
965	E	92.6	Very high	90.9	Very high	99 Å²	99	58.1 Å²	58.1	46%	0.463	29%	0.287	S	S	.	.	I	π-helix	trans	-72.3	-22.3	-166.9	-53.6	177.1	159.4	0	0	114	K960 T961 R967	K960-E965 PolarHBondContact O-N 3.1Å; T961-E965 WeakPolarHBondContact CA-OE2 3.41Å; T961-E965 VanDerWaalsContact CB-OE2 3.28Å; T961-E965 WeakPolarHBondContact CB-OE2 3.44Å; T961-E965 HydrophobicContact CG2-CB 4.44Å; T961-E965 WeakPolarHBondContact CG2-OE2 3.27Å; T961-E965 PolarHBondContact O-N 2.68Å; T961-E965 PolarHBondContact OG1-OE2 3.34Å; E965-R967 VanDerWaalsContact C-N 3.35Å
966	L	92.6	Very high	91.2	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.042	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	10.1	174.9	-67.4	176	0	0	0	113.8	K866 V922 A923 K926 T961 E964 P968 F969	K866-L966 HydrophobicContact CB-CD2 4.27Å; V922-L966 HydrophobicContact CB-CD1 4.1Å; V922-L966 HydrophobicContact CG1-CD1 3.78Å; V922-L966 HydrophobicContact CG1-CD2 4Å; A923-L966 HydrophobicContact CB-CD1 4.14Å; K926-L966 HydrophobicContact CB-CD2 4.34Å; K926-L966 HydrophobicContact CD-CD2 4.2Å; K926-L966 HydrophobicContact CG-CD2 4.14Å; T961-L966 HydrophobicContact CG2-CD1 4.42Å; T961-L966 HydrophobicContact CG2-CG 4.29Å; T961-L966 VanDerWaalsContact O-CG 3.31Å; T961-L966 WeakPolarHBondContact O-CG 3.36Å; T961-L966 PolarHBondContact O-N 3.09Å; E964-L966 VanDerWaalsContact C-N 3.31Å; E964-L966 PolarHBondContact O-N 3.03Å; L966-P968 CarbonylContact O-C 3.52Å; L966-F969 HydrophobicContact CB-CD2 4.08Å; L966-F969 HydrophobicContact CD1-CE2 4.39Å; L966-F969 PolarHBondContact O-N 3.23Å
967	R	88.9	Confident	91.7	Very high	177 Å²	177	59.7 Å²	59.7	67%	0.668	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-70.5	143	175.8	-71.7	-177.5	-170.4	-176.5	10.7	112.1	F963 E964 E965	F963-R967 VanDerWaalsContact O-CZ 3.24Å; F963-R967 PolarHBondContact O-NE 3.45Å; F963-R967 PolarHBondContact O-NH2 3.44Å; E964-R967 VanDerWaalsContact O-CB 3.32Å; E964-R967 WeakPolarHBondContact O-CB 3.06Å; E964-R967 VanDerWaalsContact O-CG 3.27Å; E964-R967 WeakPolarHBondContact O-CG 3.34Å; E964-R967 PolarHBondContact O-N 3.37Å; E964-R967 VanDerWaalsContact O-N 3.13Å; E965-R967 VanDerWaalsContact C-N 3.35Å
968	P	89.2	Confident	92.1	Very high	111 Å²	111	61.1 Å²	61.1	72%	0.721	31%	0.306	S	S	*	.	S	Bend	cis	-75.5	123.5	-10.8	30.5	-32.7	0	0	0	110.8	K866 L966	K866-P968 VanDerWaalsContact CE-O 3.27Å; K866-P968 WeakPolarHBondContact CE-O 3.39Å; K866-P968 PolarHBondContact NZ-O 2.88Å; L966-P968 CarbonylContact O-C 3.52Å
969	F	92.4	Very high	92.2	Very high	20 Å²	20	62.6 Å²	62.6	9%	0.088	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-79.2	149.4	173.5	-159	-99.9	0	0	0	110	I862 F918 R919 L966 K971 I975	I862-F969 HydrophobicContact CD1-CZ 4.37Å; I862-F969 HydrophobicContact CG2-CE2 3.9Å; I862-F969 HydrophobicContact CG2-CZ 3.91Å; F918-F969 HydrophobicContact CB-CE1 4.27Å; F918-F969 HydrophobicContact CB-CZ 4.01Å; R919-F969 HydrophobicContact CB-CZ 4.32Å; R919-F969 HydrophobicContact CG-CD1 3.77Å; R919-F969 HydrophobicContact CG-CD2 4.43Å; R919-F969 HydrophobicContact CG-CE1 3.52Å; R919-F969 HydrophobicContact CG-CE2 4.22Å; R919-F969 HydrophobicContact CG-CG 4.22Å; R919-F969 HydrophobicContact CG-CZ 3.77Å; L966-F969 HydrophobicContact CB-CD2 4.08Å; L966-F969 HydrophobicContact CD1-CE2 4.39Å; L966-F969 PolarHBondContact O-N 3.23Å; F969-K971 PolarHBondContact O-N 3.1Å; F969-I975 HydrophobicContact CE1-CD1 4.3Å
970	P	91.2	Very high	92.2	Very high	8 Å²	8	64.9 Å²	64.9	5%	0.052	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-49.8	133.8	173.6	-32.2	38.8	0	0	0	112.8	I862 L974 I975	I862-P970 HydrophobicContact CD1-CG 4.31Å; I862-P970 HydrophobicContact CG1-CG 4.15Å; I862-P970 HydrophobicContact CG2-CG 4.32Å; P970-L974 HydrophobicContact CB-CD2 4.19Å; P970-I975 HydrophobicContact CB-CD1 4.22Å; P970-I975 HydrophobicContact CB-CG1 4Å
971	K	89.1	Confident	92.2	Very high	150 Å²	150	66.4 Å²	66.4	65%	0.652	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-72.1	153.8	177.6	-64.3	-173.3	178.2	-176.5	0	110.9	F969 Q973 L974 I975	F969-K971 PolarHBondContact O-N 3.1Å; K971-Q973 PolarHBondContact O-N 3.11Å; K971-Q973 VanDerWaalsContact O-N 3.16Å; K971-L974 PolarHBondContact O-N 3.13Å; K971-I975 PolarHBondContact O-N 3.22Å
972	P	87.4	Confident	92.2	Very high	70 Å²	70	67.2 Å²	67.2	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-50.6	-40.4	175.7	-27.7	34.7	0	0	0	113.5	E915 L974 I975 A976	E915-P972 HydrophobicContact CG-CB 4.16Å; E915-P972 HydrophobicContact CG-CG 4.19Å; P972-L974 VanDerWaalsContact C-N 3.33Å; P972-L974 PolarHBondContact O-N 2.96Å; P972-I975 PolarHBondContact O-N 2.88Å; P972-A976 WeakPolarHBondContact O-CB 3.41Å; P972-A976 PolarHBondContact O-N 2.91Å
973	Q	88.8	Confident	92	Very high	131 Å²	131	71.4 Å²	71.4	61%	0.612	36%	0.356	S	S	*	.	H	α-helix	trans	-61.1	-39.3	177.1	-59.7	83.1	5.8	0	0	112.8	K971 A976 T977	K971-Q973 PolarHBondContact O-N 3.11Å; K971-Q973 VanDerWaalsContact O-N 3.16Å; Q973-A976 PolarHBondContact O-N 3.41Å; Q973-T977 PolarHBondContact O-N 2.98Å; Q973-T977 PolarHBondContact O-OG1 3.34Å
974	L	91.7	Very high	91.9	Very high	72 Å²	72	75.4 Å²	75.4	38%	0.377	38%	0.375	S	S	.	.	H	α-helix	trans	-72.3	-36.2	178.1	178.4	59.7	0	0	0	111.4	P970 K971 P972 T977 R978	P970-L974 HydrophobicContact CB-CD2 4.19Å; K971-L974 PolarHBondContact O-N 3.13Å; P972-L974 VanDerWaalsContact C-N 3.33Å; P972-L974 PolarHBondContact O-N 2.96Å; L974-T977 PolarHBondContact O-N 3.43Å; L974-R978 HydrophobicContact CD1-CG 4.36Å; L974-R978 WeakPolarHBondContact O-CB 3.44Å; L974-R978 WeakPolarHBondContact O-CG 3.09Å; L974-R978 PolarHBondContact O-N 3.13Å
975	I	93	Very high	91.6	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-43.6	172.9	-67.7	171.4	0	0	0	109.6	V858 I862 E915 F918 F969 P970 K971 P972 R978 R979	V858-I975 HydrophobicContact CG1-CG2 4.48Å; I862-I975 HydrophobicContact CD1-CD1 4.49Å; I862-I975 HydrophobicContact CD1-CG1 4.44Å; E915-I975 HydrophobicContact CB-CD1 4.29Å; E915-I975 HydrophobicContact CG-CD1 3.72Å; E915-I975 HydrophobicContact CG-CG2 4.47Å; F918-I975 HydrophobicContact CE2-CG2 4.04Å; F918-I975 HydrophobicContact CZ-CG2 4.39Å; F969-I975 HydrophobicContact CE1-CD1 4.3Å; P970-I975 HydrophobicContact CB-CD1 4.22Å; P970-I975 HydrophobicContact CB-CG1 4Å; K971-I975 PolarHBondContact O-N 3.22Å; P972-I975 PolarHBondContact O-N 2.88Å; I975-R978 PolarHBondContact O-N 3.32Å; I975-R979 HydrophobicContact CG2-CG 4.48Å; I975-R979 WeakPolarHBondContact O-CB 3.4Å; I975-R979 VanDerWaalsContact O-CG 3.3Å; I975-R979 WeakPolarHBondContact O-CG 3.2Å; I975-R979 PolarHBondContact O-N 2.83Å
976	A	92.2	Very high	91.4	Very high	52 Å²	52	70.1 Å²	70.1	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-62.7	-40.9	173.5	0	0	0	0	0	113.1	P972 Q973 R979 A980	P972-A976 WeakPolarHBondContact O-CB 3.41Å; P972-A976 PolarHBondContact O-N 2.91Å; Q973-A976 PolarHBondContact O-N 3.41Å; A976-R979 PolarHBondContact O-N 2.96Å; A976-A980 WeakPolarHBondContact O-CB 3.36Å; A976-A980 PolarHBondContact O-N 2.96Å
977	T	94.1	Very high	91	Very high	93 Å²	93	71 Å²	71	57%	0.571	36%	0.359	S	S	*	.	H	α-helix	trans	-64.4	-44.5	174.2	-55.3	0	0	0	0	111.9	Q973 L974 A980 Y981	Q973-T977 PolarHBondContact O-N 2.98Å; Q973-T977 PolarHBondContact O-OG1 3.34Å; L974-T977 PolarHBondContact O-N 3.43Å; T977-A980 PolarHBondContact O-N 3.46Å; T977-Y981 WeakPolarHBondContact O-CB 3.4Å; T977-Y981 PolarHBondContact O-N 3.29Å
978	R	96.1	Very high	90.6	Very high	48 Å²	48	67.9 Å²	67.9	18%	0.181	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.2	-72.9	174.9	167.2	167.1	3	111.3	V858 E861 E865 L974 I975 Y981 H982	V858-R978 HydrophobicContact CG1-CB 4.09Å; V858-R978 HydrophobicContact CG2-CB 3.85Å; E861-R978 WeakPolarHBondContact OE2-CD 3.45Å; E861-R978 WeakPolarHBondContact OE2-CG 3.34Å; E861-R978 IonicContact OE2-CZ 3.17Å; E861-R978 IonicContact OE2-NE 2.79Å; E861-R978 PolarHBondContact OE2-NE 3.28Å; E861-R978 VanDerWaalsContact OE2-NE 3.1Å; E865-R978 IonicContact OE2-CZ 2.65Å; E865-R978 VanDerWaalsContact OE2-CZ 3.32Å; E865-R978 IonicContact OE2-NH1 3.08Å; E865-R978 PolarHBondContact OE2-NH1 2.87Å; E865-R978 IonicContact OE2-NH2 3.98Å; E865-R978 PolarHBondContact OE2-NH2 2.99Å; L974-R978 HydrophobicContact CD1-CG 4.36Å; L974-R978 WeakPolarHBondContact O-CB 3.44Å; L974-R978 WeakPolarHBondContact O-CG 3.09Å; L974-R978 PolarHBondContact O-N 3.13Å; I975-R978 PolarHBondContact O-N 3.32Å; R978-Y981 PolarHBondContact O-N 3.5Å; R978-H982 PolarHBondContact O-CD2 3.43Å; R978-H982 VanDerWaalsContact O-CD2 3.25Å; R978-H982 PolarHBondContact O-N 3.47Å
979	R	95	Very high	90.1	Very high	32 Å²	32	68.3 Å²	68.3	12%	0.121	34%	0.341	C	S	.	.	H	α-helix	trans	-56.3	-52.7	172.6	-80.6	172.8	161.2	166.2	-11.7	111	V854 D855 V858 S914 E915 I975 A976 Y981 H982 Y983	V854-R979 HydrophobicContact CG1-CB 4.02Å; V854-R979 HydrophobicContact CG1-CG 4.05Å; V854-R979 VanDerWaalsContact CG1-O 3.32Å; V854-R979 WeakPolarHBondContact CG1-O 3.16Å; D855-R979 IonicContact OD1-CZ 2.81Å; D855-R979 IonicContact OD1-NE 3.75Å; D855-R979 PolarHBondContact OD1-NE 3.31Å; D855-R979 IonicContact OD1-NH2 3.39Å; D855-R979 PolarHBondContact OD1-NH2 3Å; D855-R979 IonicContact OD2-CZ 3.11Å; D855-R979 IonicContact OD2-NE 3.9Å; D855-R979 IonicContact OD2-NH2 2.79Å; D855-R979 PolarHBondContact OD2-NH2 3.18Å; V858-R979 HydrophobicContact CG2-CG 4.21Å; S914-R979 PolarHBondContact OG-NH1 3.23Å; S914-R979 VanDerWaalsContact OG-NH1 3.1Å; S914-R979 PolarHBondContact OG-NH2 2.93Å; E915-R979 IonicContact OE1-NH1 2.73Å; I975-R979 HydrophobicContact CG2-CG 4.48Å; I975-R979 WeakPolarHBondContact O-CB 3.4Å; I975-R979 VanDerWaalsContact O-CG 3.3Å; I975-R979 WeakPolarHBondContact O-CG 3.2Å; I975-R979 PolarHBondContact O-N 2.83Å; A976-R979 PolarHBondContact O-N 2.96Å; R979-Y981 PolarHBondContact O-N 2.91Å; R979-H982 PolarHBondContact O-N 2.8Å; R979-Y983 WeakPolarHBondContact O-CB 3.48Å; R979-Y983 PolarHBondContact O-N 2.93Å
980	A	92.9	Very high	89.2	Confident	61 Å²	61	70.7 Å²	70.7	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-43.6	-179.7	0	0	0	0	0	112.9	A976 T977 Y983 E984	A976-A980 WeakPolarHBondContact O-CB 3.36Å; A976-A980 PolarHBondContact O-N 2.96Å; T977-A980 PolarHBondContact O-N 3.46Å; A980-Y983 PolarHBondContact O-N 3.43Å; A980-E984 WeakPolarHBondContact O-CB 3.46Å; A980-E984 PolarHBondContact O-N 2.82Å
981	Y	93.9	Very high	88.5	Confident	137 Å²	137	74 Å²	74	54%	0.537	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-49.8	176.9	173.9	-104.5	0	0	0	112.6	T977 R978 R979 Y983 E984 I985	T977-Y981 WeakPolarHBondContact O-CB 3.4Å; T977-Y981 PolarHBondContact O-N 3.29Å; R978-Y981 PolarHBondContact O-N 3.5Å; R979-Y981 PolarHBondContact O-N 2.91Å; Y981-Y983 VanDerWaalsContact C-N 3.34Å; Y981-Y983 PolarHBondContact O-N 3.15Å; Y981-E984 PolarHBondContact O-N 2.87Å; Y981-I985 HydrophobicContact CD1-CD1 4.09Å; Y981-I985 HydrophobicContact CD2-CD1 4.38Å; Y981-I985 HydrophobicContact CE1-CD1 3.55Å; Y981-I985 HydrophobicContact CE2-CD1 3.88Å; Y981-I985 HydrophobicContact CG-CD1 4.49Å; Y981-I985 VanDerWaalsContact CZ-CD1 3.43Å; Y981-I985 WeakPolarHBondContact O-CG1 3.1Å; Y981-I985 PolarHBondContact O-N 2.93Å
982	H	93.5	Very high	87.8	Confident	20 Å²	20	72.5 Å²	72.5	9%	0.093	37%	0.374	C	S	.	.	H	α-helix	trans	-69.8	-31.1	177.8	-76.7	-61.1	0	0	0	112.6	V854 L857 E861 R978 R979 I985 L986	V854-H982 HydrophobicContact CG1-CB 4.06Å; V854-H982 HydrophobicContact CG2-CB 4.47Å; L857-H982 HydrophobicContact CB-CB 4.36Å; L857-H982 HydrophobicContact CD1-CB 4.17Å; E861-H982 IonicContact OE1-CD2 2.98Å; E861-H982 IonicContact OE1-CE1 2.73Å; E861-H982 IonicContact OE1-NE2 2.73Å; E861-H982 PolarHBondContact OE1-NE2 2.96Å; E861-H982 IonicContact OE2-NE2 2.72Å; R978-H982 PolarHBondContact O-CD2 3.43Å; R978-H982 VanDerWaalsContact O-CD2 3.25Å; R978-H982 PolarHBondContact O-N 3.47Å; R979-H982 PolarHBondContact O-N 2.8Å; H982-I985 PolarHBondContact O-N 3.36Å; H982-L986 WeakPolarHBondContact O-CB 3.23Å; H982-L986 WeakPolarHBondContact O-CG 3.44Å; H982-L986 PolarHBondContact O-N 3.03Å
983	Y	92.3	Very high	86.8	Confident	89 Å²	89	72.8 Å²	72.8	35%	0.349	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-44.4	171.2	-176.1	-92.4	0	0	0	111.1	I850 D851 V854 R979 A980 Y981 I985 L986 S987	I850-Y983 HydrophobicContact CB-CE2 4.46Å; I850-Y983 HydrophobicContact CG2-CD2 3.82Å; I850-Y983 HydrophobicContact CG2-CE2 3.7Å; D851-Y983 WeakPolarHBondContact OD1-CD2 3.48Å; D851-Y983 WeakPolarHBondContact OD1-CE2 3.25Å; V854-Y983 HydrophobicContact CG2-CD2 4.18Å; R979-Y983 WeakPolarHBondContact O-CB 3.48Å; R979-Y983 PolarHBondContact O-N 2.93Å; A980-Y983 PolarHBondContact O-N 3.43Å; Y981-Y983 VanDerWaalsContact C-N 3.34Å; Y981-Y983 PolarHBondContact O-N 3.15Å; Y983-I985 VanDerWaalsContact C-N 3.31Å; Y983-I985 PolarHBondContact O-N 2.74Å; Y983-L986 PolarHBondContact O-N 3.14Å; Y983-S987 WeakPolarHBondContact O-CA 3.34Å; Y983-S987 WeakPolarHBondContact O-CB 3.48Å; Y983-S987 PolarHBondContact O-N 2.71Å; Y983-S987 PolarHBondContact O-OG 3.31Å
984	E	89.6	Confident	85.7	Confident	99 Å²	99	72.6 Å²	72.6	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-42.1	175.6	-166.3	-174.2	177.3	0	0	111	A980 Y981 S987 K988	A980-E984 WeakPolarHBondContact O-CB 3.46Å; A980-E984 PolarHBondContact O-N 2.82Å; Y981-E984 PolarHBondContact O-N 2.87Å; E984-S987 PolarHBondContact O-OG 3.22Å; E984-K988 HydrophobicContact CG-CD 4.15Å; E984-K988 WeakPolarHBondContact O-CB 3.17Å; E984-K988 WeakPolarHBondContact O-CG 3.48Å; E984-K988 PolarHBondContact O-N 3.31Å; E984-K988 VanDerWaalsContact OE1-CE 3.23Å; E984-K988 WeakPolarHBondContact OE1-CE 3.46Å; E984-K988 IonicContact OE1-NZ 2.71Å; E984-K988 PolarHBondContact OE1-NZ 3.14Å
985	I	88.1	Confident	84.3	Confident	58 Å²	58	70 Å²	70	30%	0.297	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-48.7	176.8	-68.9	171.2	0	0	0	112	Y981 H982 Y983 K988 K989	Y981-I985 HydrophobicContact CD1-CD1 4.09Å; Y981-I985 HydrophobicContact CD2-CD1 4.38Å; Y981-I985 HydrophobicContact CE1-CD1 3.55Å; Y981-I985 HydrophobicContact CE2-CD1 3.88Å; Y981-I985 HydrophobicContact CG-CD1 4.49Å; Y981-I985 VanDerWaalsContact CZ-CD1 3.43Å; Y981-I985 WeakPolarHBondContact O-CG1 3.1Å; Y981-I985 PolarHBondContact O-N 2.93Å; H982-I985 PolarHBondContact O-N 3.36Å; Y983-I985 VanDerWaalsContact C-N 3.31Å; Y983-I985 PolarHBondContact O-N 2.74Å; I985-K988 PolarHBondContact O-N 3.34Å; I985-K989 HydrophobicContact CG2-CD 4.47Å; I985-K989 WeakPolarHBondContact O-CB 3.1Å; I985-K989 WeakPolarHBondContact O-CG 3.41Å; I985-K989 PolarHBondContact O-N 3.4Å
986	L	86.5	Confident	82.9	Confident	35 Å²	35	75.2 Å²	75.2	18%	0.183	38%	0.377	C	S	.	.	H	α-helix	trans	-70.7	-40.8	-178.3	-76.5	175.6	0	0	0	112	I850 Q853 V854 L857 H982 Y983 K989 M990	I850-L986 HydrophobicContact CG2-CB 4.47Å; Q853-L986 HydrophobicContact CB-CD1 3.87Å; V854-L986 HydrophobicContact CG2-CD1 3.8Å; L857-L986 HydrophobicContact CD1-CD1 3.72Å; L857-L986 HydrophobicContact CD1-CD2 4.36Å; L857-L986 HydrophobicContact CD1-CG 4.01Å; H982-L986 WeakPolarHBondContact O-CB 3.23Å; H982-L986 WeakPolarHBondContact O-CG 3.44Å; H982-L986 PolarHBondContact O-N 3.03Å; Y983-L986 PolarHBondContact O-N 3.14Å; L986-K989 PolarHBondContact O-N 2.82Å; L986-M990 WeakPolarHBondContact O-CB 3.24Å; L986-M990 PolarHBondContact O-N 3.08Å
987	S	84.6	Confident	81.1	Confident	26 Å²	26	75 Å²	75	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-36.9	174.2	66.2	0	0	0	0	111.7	Y983 E984 S991	Y983-S987 WeakPolarHBondContact O-CA 3.34Å; Y983-S987 WeakPolarHBondContact O-CB 3.48Å; Y983-S987 PolarHBondContact O-N 2.71Å; Y983-S987 PolarHBondContact O-OG 3.31Å; E984-S987 PolarHBondContact O-OG 3.22Å; S987-S991 WeakPolarHBondContact O-CB 3.43Å; S987-S991 PolarHBondContact O-N 3.14Å; S987-S991 PolarHBondContact O-OG 3.24Å
988	K	81.6	Confident	79.1	Confident	113 Å²	113	75.3 Å²	75.3	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-49.6	168.6	-78.1	175.4	-175.4	174	0	111.4	E984 I985 M990 S991 I992	E984-K988 HydrophobicContact CG-CD 4.15Å; E984-K988 WeakPolarHBondContact O-CB 3.17Å; E984-K988 WeakPolarHBondContact O-CG 3.48Å; E984-K988 PolarHBondContact O-N 3.31Å; E984-K988 VanDerWaalsContact OE1-CE 3.23Å; E984-K988 WeakPolarHBondContact OE1-CE 3.46Å; E984-K988 IonicContact OE1-NZ 2.71Å; E984-K988 PolarHBondContact OE1-NZ 3.14Å; I985-K988 PolarHBondContact O-N 3.34Å; K988-M990 VanDerWaalsContact C-N 3.3Å; K988-M990 PolarHBondContact O-N 3.21Å; K988-S991 CarbonylContact O-C 3.58Å; K988-S991 PolarHBondContact O-N 3.09Å; K988-I992 VanDerWaalsContact O-CB 3.31Å; K988-I992 WeakPolarHBondContact O-CB 3.46Å; K988-I992 WeakPolarHBondContact O-CG1 3.1Å; K988-I992 PolarHBondContact O-N 2.96Å
989	K	78.5	Confident	77.1	Confident	119 Å²	119	76.5 Å²	76.5	52%	0.517	37%	0.37	S	S	.	.	H	α-helix	trans	-58.9	-40.6	176.6	-77.4	-169.9	175.9	-154.5	0	112.2	I985 L986 K993	I985-K989 HydrophobicContact CG2-CD 4.47Å; I985-K989 WeakPolarHBondContact O-CB 3.1Å; I985-K989 WeakPolarHBondContact O-CG 3.41Å; I985-K989 PolarHBondContact O-N 3.4Å; L986-K989 PolarHBondContact O-N 2.82Å; K989-K993 WeakPolarHBondContact O-CB 3.47Å; K989-K993 PolarHBondContact O-N 3.4Å
990	M	73	Confident	75	Confident	71 Å²	71	77.2 Å²	77.2	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-76.4	-28.7	180	-157.6	161.7	-165.6	0	0	112.3	I850 L986 K988 K994	I850-M990 HydrophobicContact CD1-SD 3.69Å; I850-M990 HydrophobicContact CG1-SD 3.77Å; L986-M990 WeakPolarHBondContact O-CB 3.24Å; L986-M990 PolarHBondContact O-N 3.08Å; K988-M990 VanDerWaalsContact C-N 3.3Å; K988-M990 PolarHBondContact O-N 3.21Å; M990-K994 WeakPolarHBondContact O-CB 3.31Å; M990-K994 PolarHBondContact O-N 3.43Å
991	S	75.8	Confident	72.7	Confident	76 Å²	76	79 Å²	79	53%	0.531	38%	0.377	S	S	.	.	H	α-helix	trans	-80.5	-31.1	172.5	-59	0	0	0	0	112.9	S987 K988 G995	S987-S991 WeakPolarHBondContact O-CB 3.43Å; S987-S991 PolarHBondContact O-N 3.14Å; S987-S991 PolarHBondContact O-OG 3.24Å; K988-S991 CarbonylContact O-C 3.58Å; K988-S991 PolarHBondContact O-N 3.09Å; S991-G995 WeakPolarHBondContact O-CA 3.08Å; S991-G995 PolarHBondContact O-N 3.08Å
992	I	75	Confident	70.3	Confident	120 Å²	120	79.4 Å²	79.4	62%	0.615	38%	0.382	S	S	*	.	H	α-helix	trans	-68.5	-44.7	167.9	-70.1	163.7	0	0	0	108.8	K988 G995 Y996	K988-I992 VanDerWaalsContact O-CB 3.31Å; K988-I992 WeakPolarHBondContact O-CB 3.46Å; K988-I992 WeakPolarHBondContact O-CG1 3.1Å; K988-I992 PolarHBondContact O-N 2.96Å; I992-G995 PolarHBondContact O-N 2.86Å; I992-Y996 WeakPolarHBondContact O-CB 3.32Å; I992-Y996 PolarHBondContact O-N 3.4Å
993	K	66.4	Low	67.9	Low	75 Å²	75	85.5 Å²	85.5	33%	0.326	41%	0.41	S	S	.	.	H	α-helix	trans	-60.8	-48.1	172.7	176.3	170.8	162.5	-179.8	0	111.3	K989 Y996 W997 Y1254 T1255	K989-K993 WeakPolarHBondContact O-CB 3.47Å; K989-K993 PolarHBondContact O-N 3.4Å; K993-Y996 PolarHBondContact O-N 3.06Å; K993-W997 PolarHBondContact O-N 3.23Å; K993-W997 PolarHBondContact O-NE1 2.96Å; K993-Y1254 WeakPolarHBondContact CE-O 3.11Å; K993-Y1254 PolarHBondContact NZ-O 3.34Å; K993-T1255 HydrophobicContact CB-CG2 4.47Å; K993-T1255 HydrophobicContact CD-CG2 4.45Å; K993-T1255 HydrophobicContact CG-CG2 4.19Å
994	K	65	Low	65.3	Low	127 Å²	127	83.6 Å²	83.6	55%	0.552	41%	0.41	S	S	*	.	H	α-helix	trans	-65.9	-39.8	176.9	-177	-179.5	177.7	-176.7	0	112.2	M990 W997 Q998	M990-K994 WeakPolarHBondContact O-CB 3.31Å; M990-K994 PolarHBondContact O-N 3.43Å; K994-W997 CarbonylContact O-C 3.46Å; K994-W997 PolarHBondContact O-N 2.83Å; K994-Q998 WeakPolarHBondContact O-CB 3.08Å; K994-Q998 VanDerWaalsContact O-CG 3.32Å; K994-Q998 WeakPolarHBondContact O-CG 3.16Å; K994-Q998 PolarHBondContact O-N 2.93Å
995	G	64.2	Low	62.6	Low	19 Å²	19	82.7 Å²	82.7	20%	0.196	41%	0.412	C	S	.	.	H	α-helix	trans	-67.3	-36.2	174.9	0	0	0	0	0	112	S991 I992 Q998 N999	S991-G995 WeakPolarHBondContact O-CA 3.08Å; S991-G995 PolarHBondContact O-N 3.08Å; I992-G995 PolarHBondContact O-N 2.86Å; G995-Q998 CarbonylContact O-C 3.43Å; G995-Q998 PolarHBondContact O-N 2.7Å; G995-N999 VanDerWaalsContact O-CB 3.22Å; G995-N999 WeakPolarHBondContact O-CB 3.34Å; G995-N999 PolarHBondContact O-N 2.55Å; G995-N999 PolarHBondContact O-OD1 2.82Å
996	Y	63.3	Low	60	Low	110 Å²	110	87.4 Å²	87.4	43%	0.431	44%	0.438	S	S	.	.	H	α-helix	trans	-66.2	-40.6	169	-178.1	-104	0	0	0	110.8	I992 K993 Q998 N999 V1000	I992-Y996 WeakPolarHBondContact O-CB 3.32Å; I992-Y996 PolarHBondContact O-N 3.4Å; K993-Y996 PolarHBondContact O-N 3.06Å; Y996-Q998 VanDerWaalsContact C-N 3.35Å; Y996-Q998 PolarHBondContact O-N 3.06Å; Y996-N999 PolarHBondContact O-N 2.73Å; Y996-V1000 HydrophobicContact CD1-CG2 4.22Å; Y996-V1000 HydrophobicContact CD2-CG2 4.19Å; Y996-V1000 HydrophobicContact CE1-CG2 3.95Å; Y996-V1000 HydrophobicContact CE2-CG2 3.91Å; Y996-V1000 HydrophobicContact CG-CG2 4.34Å; Y996-V1000 VanDerWaalsContact O-CB 3.25Å; Y996-V1000 WeakPolarHBondContact O-CB 3.09Å; Y996-V1000 WeakPolarHBondContact O-CG2 3.41Å; Y996-V1000 PolarHBondContact O-N 2.84Å
997	W	53	Low	57.6	Low	46 Å²	46	91.5 Å²	91.5	17%	0.174	46%	0.457	C	S	.	.	H	α-helix	trans	-63.1	-38.7	170.2	-69	113	0	0	0	113.3	K993 K994 V1000 M1001 F1256	K993-W997 PolarHBondContact O-N 3.23Å; K993-W997 PolarHBondContact O-NE1 2.96Å; K994-W997 CarbonylContact O-C 3.46Å; K994-W997 PolarHBondContact O-N 2.83Å; W997-V1000 HydrophobicContact CZ3-CB 4.25Å; W997-V1000 HydrophobicContact CZ3-CG1 4Å; W997-V1000 HydrophobicContact CZ3-CG2 4.48Å; W997-M1001 WeakPolarHBondContact O-CB 3.49Å; W997-M1001 VanDerWaalsContact O-CG 3.24Å; W997-M1001 WeakPolarHBondContact O-CG 3.41Å; W997-M1001 PolarHBondContact O-N 3.27Å; W997-M1001 VanDerWaalsContact O-N 3.08Å; W997-F1256 HydrophobicContact CD2-CB 4.33Å; W997-F1256 HydrophobicContact CE3-CD1 4.13Å; W997-F1256 HydrophobicContact CH2-CB 3.9Å; W997-F1256 AromaticContact CH2-CD1 3.8Å; W997-F1256 HydrophobicContact CH2-CD1 3.8Å; W997-F1256 HydrophobicContact CH2-CG 4.37Å; W997-F1256 WeakPolarHBondContact CH2-O 3.29Å; W997-F1256 HydrophobicContact CZ2-CB 3.57Å; W997-F1256 HydrophobicContact CZ2-CD1 4.35Å; W997-F1256 HydrophobicContact CZ2-CG 4.49Å; W997-F1256 VanDerWaalsContact CZ2-N 3.31Å; W997-F1256 WeakPolarHBondContact CZ2-O 3.39Å; W997-F1256 HydrophobicContact CZ3-CB 4.33Å; W997-F1256 AromaticContact CZ3-CD1 3.63Å; W997-F1256 HydrophobicContact CZ3-CD1 3.63Å; W997-F1256 HydrophobicContact CZ3-CE1 4.4Å; W997-F1256 HydrophobicContact CZ3-CG 4.45Å
998	Q	53.1	Low	55.1	Low	101 Å²	101	94.6 Å²	94.6	47%	0.472	47%	0.467	S	S	.	.	H	α-helix	trans	-73.6	-29.8	176.7	-73	175.9	-31.5	0	0	112.7	K994 G995 Y996 M1001 K1002	K994-Q998 WeakPolarHBondContact O-CB 3.08Å; K994-Q998 VanDerWaalsContact O-CG 3.32Å; K994-Q998 WeakPolarHBondContact O-CG 3.16Å; K994-Q998 PolarHBondContact O-N 2.93Å; G995-Q998 CarbonylContact O-C 3.43Å; G995-Q998 PolarHBondContact O-N 2.7Å; Y996-Q998 VanDerWaalsContact C-N 3.35Å; Y996-Q998 PolarHBondContact O-N 3.06Å; Q998-M1001 CarbonylContact O-C 3.58Å; Q998-K1002 WeakPolarHBondContact O-CB 3.27Å; Q998-K1002 WeakPolarHBondContact O-CG 3.3Å; Q998-K1002 PolarHBondContact O-N 3.35Å; Q998-K1002 VanDerWaalsContact O-N 3.14Å
999	N	53.1	Low	53.1	Low	73 Å²	73	95.9 Å²	95.9	39%	0.39	48%	0.477	S	S	.	.	H	α-helix	trans	-82	-39.2	176.7	-72.8	4.3	0	0	0	111.3	G995 Y996 M1001 K1002 E1003	G995-N999 VanDerWaalsContact O-CB 3.22Å; G995-N999 WeakPolarHBondContact O-CB 3.34Å; G995-N999 PolarHBondContact O-N 2.55Å; G995-N999 PolarHBondContact O-OD1 2.82Å; Y996-N999 PolarHBondContact O-N 2.73Å; N999-M1001 PolarHBondContact O-N 2.74Å; N999-K1002 CarbonylContact O-C 3.54Å; N999-K1002 WeakPolarHBondContact O-CA 3.34Å; N999-K1002 PolarHBondContact O-N 2.96Å; N999-E1003 WeakPolarHBondContact O-CB 3.43Å; N999-E1003 WeakPolarHBondContact O-CG 3.49Å; N999-E1003 PolarHBondContact O-N 3.36Å
1000	V	52	Low	50.9	Low	46 Å²	46	98.1 Å²	98.1	28%	0.279	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-22.5	167.3	172.5	0	0	0	0	111.7	Y996 W997	Y996-V1000 HydrophobicContact CD1-CG2 4.22Å; Y996-V1000 HydrophobicContact CD2-CG2 4.19Å; Y996-V1000 HydrophobicContact CE1-CG2 3.95Å; Y996-V1000 HydrophobicContact CE2-CG2 3.91Å; Y996-V1000 HydrophobicContact CG-CG2 4.34Å; Y996-V1000 VanDerWaalsContact O-CB 3.25Å; Y996-V1000 WeakPolarHBondContact O-CB 3.09Å; Y996-V1000 WeakPolarHBondContact O-CG2 3.41Å; Y996-V1000 PolarHBondContact O-N 2.84Å; W997-V1000 HydrophobicContact CZ3-CB 4.25Å; W997-V1000 HydrophobicContact CZ3-CG1 4Å; W997-V1000 HydrophobicContact CZ3-CG2 4.48Å
1001	M	44	Very low	49.2	Very low	100 Å²	100	97.5 Å²	97.5	49%	0.493	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.1	168.4	-72.3	-178.7	176.8	0	0	115	W997 Q998 N999 F1008	W997-M1001 WeakPolarHBondContact O-CB 3.49Å; W997-M1001 VanDerWaalsContact O-CG 3.24Å; W997-M1001 WeakPolarHBondContact O-CG 3.41Å; W997-M1001 PolarHBondContact O-N 3.27Å; W997-M1001 VanDerWaalsContact O-N 3.08Å; Q998-M1001 CarbonylContact O-C 3.58Å; N999-M1001 PolarHBondContact O-N 2.74Å; M1001-F1008 HydrophobicContact CG-CZ 4.35Å; M1001-F1008 HydrophobicContact SD-CZ 4.21Å
1002	K	44.3	Very low	47.1	Very low	144 Å²	144	100.3 Å²	100.3	63%	0.626	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-29.1	176.5	-80.3	173.2	173.9	-175.3	0	113.3	Q998 N999 S1004 P1005	Q998-K1002 WeakPolarHBondContact O-CB 3.27Å; Q998-K1002 WeakPolarHBondContact O-CG 3.3Å; Q998-K1002 PolarHBondContact O-N 3.35Å; Q998-K1002 VanDerWaalsContact O-N 3.14Å; N999-K1002 CarbonylContact O-C 3.54Å; N999-K1002 WeakPolarHBondContact O-CA 3.34Å; N999-K1002 PolarHBondContact O-N 2.96Å; K1002-S1004 PolarHBondContact O-N 2.97Å; K1002-P1005 WeakPolarHBondContact O-CA 3.43Å; K1002-P1005 WeakPolarHBondContact O-CG 3.38Å
1003	E	41.7	Very low	45	Very low	149 Å²	149	101.4 Å²	101.4	70%	0.696	50%	0.5	S	S	*	.	S	Bend	trans	-77.4	8.5	175.3	-68	172.1	-175.3	0	0	112	N999 P1005	N999-E1003 WeakPolarHBondContact O-CB 3.43Å; N999-E1003 WeakPolarHBondContact O-CG 3.49Å; N999-E1003 PolarHBondContact O-N 3.36Å; E1003-P1005 VanDerWaalsContact C-CD 3.47Å; E1003-P1005 WeakPolarHBondContact O-CD 3.28Å
1004	S	39.5	Very low	43.5	Very low	48 Å²	48	102.7 Å²	102.7	34%	0.336	51%	0.507	S	S	.	.	S	Bend	trans	-107.3	73.9	152.9	58.7	0	0	0	0	109.2	K1002 D1006	K1002-S1004 PolarHBondContact O-N 2.97Å; S1004-D1006 PolarHBondContact O-N 3.02Å
1005	P	31.7	Very low	42.2	Very low	80 Å²	80	99 Å²	99	52%	0.519	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.3	-158.1	-18.1	33.8	0	0	0	114.4	K1002 E1003	K1002-P1005 WeakPolarHBondContact O-CA 3.43Å; K1002-P1005 WeakPolarHBondContact O-CG 3.38Å; E1003-P1005 VanDerWaalsContact C-CD 3.47Å; E1003-P1005 WeakPolarHBondContact O-CD 3.28Å
1006	D	33.9	Very low	40.6	Very low	157 Å²	157	105.9 Å²	105.9	84%	0.84	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-6.7	-168	-61.5	-52.8	0	0	0	115.1	S1004	S1004-D1006 PolarHBondContact O-N 3.02Å
1007	E	36	Very low	39.1	Very low	122 Å²	122	107.8 Å²	107.8	57%	0.57	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-16.6	-178	-68.6	-163.1	134.9	0	0	115.3	N1011	E1007-N1011 PolarHBondContact O-ND2 3.07Å
1008	F	32.9	Very low	38.1	Very low	91 Å²	91	109.6 Å²	109.6	40%	0.399	54%	0.544	S	S	.	.	S	Bend	trans	-93.9	-15.8	-169.8	-126.2	-92	0	0	0	115.3	M1001	M1001-F1008 HydrophobicContact CG-CZ 4.35Å; M1001-F1008 HydrophobicContact SD-CZ 4.21Å
1009	I	38.3	Very low	37	Very low	139 Å²	139	113.6 Å²	113.6	71%	0.713	55%	0.554	S	S	*	*	S	Bend	trans	-88.6	-44.1	-172.9	-64.8	-178.8	0	0	0	112.5	N1011 Q1012	I1009-N1011 PolarHBondContact O-N 3.3Å; I1009-Q1012 PolarHBondContact O-N 2.91Å
1010	E	33.7	Very low	36	Very low	166 Å²	166	114.6 Å²	114.6	78%	0.776	57%	0.567	S	S	*	*	H	α-helix	trans	-59.9	-30.9	168.7	-71.2	-158.9	140.3	0	0	111.8	Q1012 H1014	E1010-Q1012 VanDerWaalsContact C-N 3.34Å; E1010-Q1012 PolarHBondContact O-N 3.46Å; E1010-H1014 PolarHBondContact O-N 3.01Å
1011	N	35.8	Very low	35.2	Very low	59 Å²	59	117.2 Å²	117.2	32%	0.316	58%	0.583	S	S	.	*	H	α-helix	trans	-70.7	-18.9	-178.1	-90.5	-60	0	0	0	114.3	E1007 I1009 H1014 V1015	E1007-N1011 PolarHBondContact O-ND2 3.07Å; I1009-N1011 PolarHBondContact O-N 3.3Å; N1011-H1014 CarbonylContact O-C 3.24Å; N1011-H1014 PolarHBondContact O-N 3.31Å; N1011-V1015 HydrophobicContact CB-CG2 4.48Å; N1011-V1015 WeakPolarHBondContact O-CA 3.44Å; N1011-V1015 WeakPolarHBondContact O-CB 3.17Å; N1011-V1015 WeakPolarHBondContact O-CG2 3.49Å; N1011-V1015 PolarHBondContact O-N 2.97Å
1012	Q	32.8	Very low	35.1	Very low	134 Å²	134	117.4 Å²	117.4	63%	0.626	58%	0.581	S	S	*	*	H	α-helix	trans	-70.7	-45.9	-179.4	-67.3	-156.7	7.8	0	0	113.2	I1009 E1010 H1014 V1015	I1009-Q1012 PolarHBondContact O-N 2.91Å; E1010-Q1012 VanDerWaalsContact C-N 3.34Å; E1010-Q1012 PolarHBondContact O-N 3.46Å; Q1012-H1014 VanDerWaalsContact C-N 3.25Å; Q1012-H1014 PolarHBondContact O-N 3.47Å; Q1012-V1015 PolarHBondContact O-N 3.28Å; Q1012-V1015 VanDerWaalsContact O-N 3.08Å
1013	N	30.8	Very low	35.1	Very low	143 Å²	143	118.1 Å²	118.1	77%	0.765	59%	0.587	S	S	*	*	H	α-helix	trans	-66.4	-29.8	173	-72	-12.3	0	0	0	111.8
1014	H	34.8	Very low	35.5	Very low	103 Å²	103	117.5 Å²	117.5	48%	0.477	59%	0.588	S	S	.	*	H	α-helix	trans	-76.4	-22.6	170.3	-95.2	-49.7	0	0	0	114.4	E1010 N1011 Q1012 H1017 K1018	E1010-H1014 PolarHBondContact O-N 3.01Å; N1011-H1014 CarbonylContact O-C 3.24Å; N1011-H1014 PolarHBondContact O-N 3.31Å; Q1012-H1014 VanDerWaalsContact C-N 3.25Å; Q1012-H1014 PolarHBondContact O-N 3.47Å; H1014-H1017 CarbonylContact O-C 3.56Å; H1014-H1017 PolarHBondContact O-N 2.98Å; H1014-K1018 HydrophobicContact CB-CD 4.14Å; H1014-K1018 WeakPolarHBondContact O-CB 3.47Å; H1014-K1018 WeakPolarHBondContact O-CG 3.46Å; H1014-K1018 PolarHBondContact O-N 2.96Å
1015	V	36.7	Very low	36.7	Very low	49 Å²	49	116.9 Å²	116.9	30%	0.297	58%	0.58	S	S	.	*	H	α-helix	trans	-79.1	-28.6	-172.5	151.1	0	0	0	0	112.7	N1011 Q1012 K1018 R1019	N1011-V1015 HydrophobicContact CB-CG2 4.48Å; N1011-V1015 WeakPolarHBondContact O-CA 3.44Å; N1011-V1015 WeakPolarHBondContact O-CB 3.17Å; N1011-V1015 WeakPolarHBondContact O-CG2 3.49Å; N1011-V1015 PolarHBondContact O-N 2.97Å; Q1012-V1015 PolarHBondContact O-N 3.28Å; Q1012-V1015 VanDerWaalsContact O-N 3.08Å; V1015-K1018 PolarHBondContact O-N 3.35Å; V1015-R1019 HydrophobicContact CG1-CG 4.11Å; V1015-R1019 VanDerWaalsContact O-CB 3.27Å; V1015-R1019 WeakPolarHBondContact O-CB 3.45Å; V1015-R1019 VanDerWaalsContact O-CG 3.27Å; V1015-R1019 WeakPolarHBondContact O-CG 3.26Å; V1015-R1019 PolarHBondContact O-N 2.73Å
1016	Q	30.7	Very low	39	Very low	163 Å²	163	114 Å²	114	76%	0.762	56%	0.562	S	S	*	*	H	α-helix	trans	-68.6	-36	169.5	-78.2	179.3	-31.9	0	0	111.9
1017	H	33	Very low	41.5	Very low	151 Å²	151	107.6 Å²	107.6	70%	0.699	53%	0.529	S	S	*	.	H	α-helix	trans	-81.7	-19.3	171.9	-84.7	-72	0	0	0	115.1	H1014 S1020 T1021	H1014-H1017 CarbonylContact O-C 3.56Å; H1014-H1017 PolarHBondContact O-N 2.98Å; H1017-S1020 PolarHBondContact O-OG 2.79Å; H1017-T1021 PolarHBondContact O-OG1 3.38Å
1018	K	31.1	Very low	44	Very low	84 Å²	84	101.8 Å²	101.8	37%	0.365	50%	0.502	S	S	.	.	H	α-helix	trans	-93	-20	175.8	-72.8	175.5	-172.8	171.4	0	113.8	H1014 V1015 T1021 K1022	H1014-K1018 HydrophobicContact CB-CD 4.14Å; H1014-K1018 WeakPolarHBondContact O-CB 3.47Å; H1014-K1018 WeakPolarHBondContact O-CG 3.46Å; H1014-K1018 PolarHBondContact O-N 2.96Å; V1015-K1018 PolarHBondContact O-N 3.35Å; K1018-T1021 WeakPolarHBondContact CA-OG1 3.31Å; K1018-T1021 PolarHBondContact O-N 2.98Å; K1018-T1021 PolarHBondContact O-OG1 3.48Å; K1018-K1022 WeakPolarHBondContact O-CB 3.42Å; K1018-K1022 WeakPolarHBondContact O-CG 3.17Å; K1018-K1022 PolarHBondContact O-N 3.11Å; K1018-K1022 VanDerWaalsContact O-N 3.14Å
1019	R	30.1	Very low	46.7	Very low	185 Å²	185	97.7 Å²	97.7	70%	0.698	48%	0.484	S	S	*	.	H	α-helix	trans	-67.9	-39.3	176.8	-87.1	176.2	176.7	-174.7	1.1	112.4	V1015 T1021 K1022	V1015-R1019 HydrophobicContact CG1-CG 4.11Å; V1015-R1019 VanDerWaalsContact O-CB 3.27Å; V1015-R1019 WeakPolarHBondContact O-CB 3.45Å; V1015-R1019 VanDerWaalsContact O-CG 3.27Å; V1015-R1019 WeakPolarHBondContact O-CG 3.26Å; V1015-R1019 PolarHBondContact O-N 2.73Å; R1019-T1021 PolarHBondContact O-N 2.73Å; R1019-T1021 VanDerWaalsContact O-N 3.16Å; R1019-K1022 PolarHBondContact O-N 3.39Å
1020	S	31.7	Very low	49.2	Very low	93 Å²	93	91.2 Å²	91.2	65%	0.65	45%	0.452	S	S	*	.	H	α-helix	trans	-67	-7	172.7	51.2	0	0	0	0	114.6	H1017	H1017-S1020 PolarHBondContact O-OG 2.79Å
1021	T	36.2	Very low	52	Low	102 Å²	102	84 Å²	84	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-121.4	1	-179.9	47.7	0	0	0	0	114	H1017 K1018 R1019	H1017-T1021 PolarHBondContact O-OG1 3.38Å; K1018-T1021 WeakPolarHBondContact CA-OG1 3.31Å; K1018-T1021 PolarHBondContact O-N 2.98Å; K1018-T1021 PolarHBondContact O-OG1 3.48Å; R1019-T1021 PolarHBondContact O-N 2.73Å; R1019-T1021 VanDerWaalsContact O-N 3.16Å
1022	K	42	Very low	54.7	Low	104 Å²	104	82.3 Å²	82.3	45%	0.452	41%	0.41	S	S	.	.	H	α-helix	trans	-99.4	-12.1	-179.7	-86.2	-159.9	170.1	-125.1	0	116.2	K1018 R1019 N1024 Q1025	K1018-K1022 WeakPolarHBondContact O-CB 3.42Å; K1018-K1022 WeakPolarHBondContact O-CG 3.17Å; K1018-K1022 PolarHBondContact O-N 3.11Å; K1018-K1022 VanDerWaalsContact O-N 3.14Å; R1019-K1022 PolarHBondContact O-N 3.39Å; K1022-N1024 PolarHBondContact O-N 3.09Å; K1022-Q1025 HydrophobicContact CB-CG 4.49Å; K1022-Q1025 VanDerWaalsContact CD-OE1 3.28Å; K1022-Q1025 HydrophobicContact CG-CG 4.23Å; K1022-Q1025 PolarHBondContact O-N 3.42Å
1023	E	43.3	Very low	57.4	Low	159 Å²	159	76.7 Å²	76.7	74%	0.743	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.4	-177.5	-61.3	-150.5	104.5	0	0	113.7
1024	N	50	Low	60.1	Low	136 Å²	136	70.9 Å²	70.9	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	21.1	176.8	-64.2	8.2	0	0	0	113.3	K1022 A1026	K1022-N1024 PolarHBondContact O-N 3.09Å; N1024-A1026 PolarHBondContact O-N 3.13Å; N1024-A1026 VanDerWaalsContact O-N 3.14Å
1025	Q	66.4	Low	62.4	Low	35 Å²	35	67.5 Å²	67.5	16%	0.164	34%	0.336	C	S	.	.			trans	-72.6	105.8	171.9	-72.4	-157.7	-77.1	0	0	110.6	K1022 V1027 Y1407	K1022-Q1025 HydrophobicContact CB-CG 4.49Å; K1022-Q1025 VanDerWaalsContact CD-OE1 3.28Å; K1022-Q1025 HydrophobicContact CG-CG 4.23Å; K1022-Q1025 PolarHBondContact O-N 3.42Å; Q1025-V1027 WeakPolarHBondContact O-CG2 3.27Å; Q1025-V1027 PolarHBondContact O-N 3.31Å; Q1025-Y1407 HydrophobicContact CB-CD1 3.85Å; Q1025-Y1407 HydrophobicContact CB-CE1 4.27Å; Q1025-Y1407 HydrophobicContact CB-CG 4.43Å
1026	A	78.3	Confident	64.6	Low	18 Å²	18	68.6 Å²	68.6	15%	0.149	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-56.4	124.5	175.1	0	0	0	0	0	111.2	N1024 Y1043 Y1407 F1408	N1024-A1026 PolarHBondContact O-N 3.13Å; N1024-A1026 VanDerWaalsContact O-N 3.14Å; A1026-Y1043 HydrophobicContact CB-CD2 4.06Å; A1026-Y1407 WeakPolarHBondContact O-CA 3.23Å; A1026-F1408 HydrophobicContact CB-CB 4.34Å; A1026-F1408 PolarHBondContact O-N 2.63Å
1027	V	86.4	Confident	67.1	Low	23 Å²	23	64.8 Å²	64.8	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.7	-176.9	-168.3	0	0	0	0	108.2	Q1025 Q1029 Y1043 G1044 R1387 T1406 Y1407	Q1025-V1027 WeakPolarHBondContact O-CG2 3.27Å; Q1025-V1027 PolarHBondContact O-N 3.31Å; V1027-Q1029 WeakPolarHBondContact O-CG 3.44Å; V1027-Q1029 PolarHBondContact O-N 2.88Å; V1027-Y1043 CarbonylContact O-C 3.57Å; V1027-Y1043 WeakPolarHBondContact O-CA 3.34Å; V1027-G1044 PolarHBondContact N-O 2.97Å; V1027-G1044 PolarHBondContact O-N 3.41Å; V1027-R1387 VanDerWaalsContact CG1-CZ 3.42Å; V1027-R1387 VanDerWaalsContact CG1-NH1 3.3Å; V1027-T1406 CarbonylContact C-O 3.59Å; V1027-T1406 WeakPolarHBondContact CA-O 3.1Å; V1027-T1406 HydrophobicContact CG1-CG2 4.03Å; V1027-T1406 WeakPolarHBondContact CG1-O 3.31Å; V1027-Y1407 HydrophobicContact CG2-CD1 4.06Å; V1027-Y1407 HydrophobicContact CG2-CE1 4.09Å
1028	I	89.6	Confident	69.7	Low	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.4	170.7	-55.3	-179.5	0	0	0	108	I1041 R1387 F1388 C1404 T1406 F1408 A1413 V1414	I1028-I1041 HydrophobicContact CG2-CG2 3.85Å; I1028-R1387 WeakPolarHBondContact O-CD 3.29Å; I1028-R1387 PolarHBondContact O-NH1 3.12Å; I1028-F1388 HydrophobicContact CB-CE2 4.29Å; I1028-F1388 HydrophobicContact CG2-CD2 3.85Å; I1028-F1388 HydrophobicContact CG2-CE2 3.72Å; I1028-C1404 HydrophobicContact CD1-CB 3.85Å; I1028-C1404 HydrophobicContact CG2-CB 4.35Å; I1028-T1406 PolarHBondContact N-O 3.38Å; I1028-F1408 HydrophobicContact CG1-CB 4.1Å; I1028-A1413 HydrophobicContact CD1-CB 4.31Å; I1028-A1413 WeakPolarHBondContact CD1-O 3.36Å; I1028-V1414 HydrophobicContact CD1-CG2 4.2Å
1029	Q	89.8	Confident	72.5	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.028	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-43.5	-167.2	-63.6	-179	3.4	0	0	113.4	V1027 C1042 G1044 S1049 R1071 V1072 F1388	V1027-Q1029 WeakPolarHBondContact O-CG 3.44Å; V1027-Q1029 PolarHBondContact O-N 2.88Å; Q1029-C1042 HydrophobicContact CB-CB 4.42Å; Q1029-C1042 WeakPolarHBondContact CB-O 3.14Å; Q1029-C1042 PolarHBondContact N-O 2.93Å; Q1029-G1044 VanDerWaalsContact NE2-C 3.34Å; Q1029-S1049 PolarHBondContact NE2-OG 3.44Å; Q1029-S1049 VanDerWaalsContact NE2-OG 3.1Å; Q1029-S1049 PolarHBondContact OE1-OG 3.49Å; Q1029-R1071 HydrophobicContact CG-CG 4.4Å; Q1029-V1072 PolarHBondContact OE1-O 3.46Å; Q1029-F1388 VanDerWaalsContact O-CZ 3.24Å; Q1029-F1388 WeakPolarHBondContact O-CZ 3.32Å
1030	A	90.6	Very high	75.2	Confident	3 Å²	3	47.1 Å²	47.1	3%	0.025	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	156.1	-178.4	0	0	0	0	0	110.2	C1042 V1072 I1075	A1030-C1042 HydrophobicContact CB-CB 4.26Å; A1030-C1042 PolarHBondContact N-O 2.89Å; A1030-C1042 PolarHBondContact O-N 3.38Å; A1030-V1072 HydrophobicContact CB-CG1 3.82Å; A1030-I1075 HydrophobicContact CB-CB 3.89Å; A1030-I1075 HydrophobicContact CB-CG2 3.51Å
1031	I	92.8	Very high	78	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.7	-174.8	179.7	169.2	0	0	0	111.7	L1039 W1040 I1041 I1075 F1388 V1390 I1402 C1404	I1031-L1039 HydrophobicContact CD1-CD1 3.46Å; I1031-L1039 VanDerWaalsContact CD1-CD1 3.46Å; I1031-L1039 HydrophobicContact CG1-CD1 3.32Å; I1031-W1040 WeakPolarHBondContact CA-O 3.44Å; I1031-I1041 HydrophobicContact CD1-CD1 4.01Å; I1031-I1041 HydrophobicContact CD1-CG1 3.92Å; I1031-I1041 HydrophobicContact CG1-CG1 4.04Å; I1031-I1075 VanDerWaalsContact N-CG2 3.31Å; I1031-F1388 HydrophobicContact CG2-CB 3.44Å; I1031-F1388 VanDerWaalsContact CG2-CB 3.44Å; I1031-F1388 HydrophobicContact CG2-CD1 3.65Å; I1031-F1388 HydrophobicContact CG2-CD2 3.93Å; I1031-F1388 HydrophobicContact CG2-CE1 4.43Å; I1031-F1388 HydrophobicContact CG2-CG 3.38Å; I1031-V1390 HydrophobicContact CD1-CG2 3.69Å; I1031-V1390 HydrophobicContact CG1-CG1 4.37Å; I1031-V1390 HydrophobicContact CG1-CG2 3.94Å; I1031-V1390 HydrophobicContact CG2-CG1 3.82Å; I1031-I1402 HydrophobicContact CD1-CG2 4.13Å; I1031-C1404 VanDerWaalsContact CD1-SG 3.52Å
1032	T	91.7	Very high	80.6	Confident	25 Å²	25	37.9 Å²	37.9	15%	0.153	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.8	172.6	-161.9	0	0	0	0	112.9	L1039 W1040 I1075 A1077	T1032-L1039 CarbonylContact O-C 3.54Å; T1032-L1039 VanDerWaalsContact O-CA 3.3Å; T1032-L1039 WeakPolarHBondContact O-CA 3.49Å; T1032-L1039 WeakPolarHBondContact O-CB 3.46Å; T1032-W1040 PolarHBondContact N-O 3.43Å; T1032-W1040 VanDerWaalsContact N-O 3.07Å; T1032-W1040 PolarHBondContact O-N 3.43Å; T1032-I1075 HydrophobicContact CG2-CD1 3.98Å; T1032-I1075 HydrophobicContact CG2-CG1 3.95Å; T1032-I1075 HydrophobicContact CG2-CG2 4.19Å; T1032-A1077 HydrophobicContact CG2-CB 4.03Å
1033	F	90	Very high	82.9	Confident	16 Å²	16	33.4 Å²	33.4	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.9	167.9	-83	-84.1	0	0	0	109.3	L1039 V1056 V1390 K1392 L1400 I1402	F1033-L1039 HydrophobicContact CD1-CB 3.58Å; F1033-L1039 HydrophobicContact CE1-CB 3.85Å; F1033-L1039 HydrophobicContact CE1-CD2 4.11Å; F1033-L1039 HydrophobicContact CG-CB 3.95Å; F1033-L1039 HydrophobicContact CZ-CB 4.44Å; F1033-L1039 HydrophobicContact CZ-CD2 4.1Å; F1033-V1056 HydrophobicContact CE1-CG2 4.16Å; F1033-V1390 HydrophobicContact CD2-CB 4.28Å; F1033-V1390 HydrophobicContact CD2-CG2 4.05Å; F1033-V1390 HydrophobicContact CE2-CB 4.3Å; F1033-V1390 HydrophobicContact CE2-CG2 3.79Å; F1033-K1392 HydrophobicContact CB-CB 4.41Å; F1033-K1392 HydrophobicContact CB-CD 4.05Å; F1033-K1392 HydrophobicContact CB-CG 4.47Å; F1033-K1392 HydrophobicContact CD1-CB 3.84Å; F1033-K1392 HydrophobicContact CD1-CG 4.25Å; F1033-K1392 HydrophobicContact CD2-CB 3.84Å; F1033-K1392 HydrophobicContact CE1-CB 3.93Å; F1033-K1392 HydrophobicContact CE2-CB 3.92Å; F1033-K1392 HydrophobicContact CG-CB 3.8Å; F1033-K1392 HydrophobicContact CG-CD 4.37Å; F1033-K1392 HydrophobicContact CG-CG 4.3Å; F1033-K1392 HydrophobicContact CZ-CB 3.96Å; F1033-L1400 HydrophobicContact CE1-CD1 4.31Å; F1033-L1400 HydrophobicContact CZ-CB 4.14Å; F1033-I1402 HydrophobicContact CE2-CG1 4.07Å; F1033-I1402 HydrophobicContact CZ-CG1 3.74Å
1034	Y	86.5	Confident	84.8	Confident	20 Å²	20	26.2 Å²	26.2	8%	0.078	14%	0.138	C	C	.	.	S	Bend	trans	-96.8	-30.6	174.7	74.7	-97.3	0	0	0	112.6	H1038 W1040 E1053 N1080 I1083 V1097	Y1034-H1038 HydrophobicContact CD1-CB 4.26Å; Y1034-H1038 HydrophobicContact CE1-CB 3.4Å; Y1034-H1038 HydrophobicContact CE2-CB 4.14Å; Y1034-H1038 PolarHBondContact N-O 3.01Å; Y1034-H1038 VanDerWaalsContact OH-CB 3.22Å; Y1034-H1038 WeakPolarHBondContact OH-CB 3.35Å; Y1034-H1038 PolarHBondContact OH-CD2 2.94Å; Y1034-H1038 VanDerWaalsContact OH-CD2 3.22Å; Y1034-W1040 AromaticContact CD1-CD1 3.52Å; Y1034-W1040 HydrophobicContact CD1-CG 4.24Å; Y1034-W1040 AromaticContact CD1-NE1 3.78Å; Y1034-W1040 AromaticContact CE1-CD1 3.4Å; Y1034-W1040 VanDerWaalsContact CE1-CD1 3.4Å; Y1034-W1040 HydrophobicContact CE1-CG 4.47Å; Y1034-W1040 AromaticContact CE1-NE1 3.32Å; Y1034-W1040 VanDerWaalsContact CE1-NE1 3.32Å; Y1034-E1053 PolarHBondContact OH-OE1 2.81Å; Y1034-N1080 VanDerWaalsContact CD2-O 3.3Å; Y1034-N1080 WeakPolarHBondContact CD2-O 3.48Å; Y1034-I1083 HydrophobicContact CD1-CD1 4.43Å; Y1034-V1097 HydrophobicContact CD2-CG2 4.43Å; Y1034-V1097 HydrophobicContact CE1-CG1 4.28Å; Y1034-V1097 HydrophobicContact CE2-CG1 3.95Å; Y1034-V1097 HydrophobicContact CG-CG2 4.43Å
1035	D	84	Confident	86.1	Confident	32 Å²	32	22 Å²	22	17%	0.171	12%	0.115	C	C	.	.	S	Bend	trans	-129.2	-152.7	168.8	71.7	37.6	0	0	0	112.2	E1037 H1038 K1392	D1035-E1037 PolarHBondContact OD1-N 2.81Å; D1035-H1038 WeakPolarHBondContact OD1-CB 3.28Å; D1035-H1038 IonicContact OD1-CD2 2.7Å; D1035-H1038 IonicContact OD1-CG 3.87Å; D1035-H1038 PolarHBondContact OD1-N 3.39Å; D1035-H1038 IonicContact OD2-CD2 3.03Å; D1035-H1038 PolarHBondContact OD2-CD2 2.92Å; D1035-H1038 IonicContact OD2-CG 2.78Å; D1035-K1392 WeakPolarHBondContact O-CE 3.4Å; D1035-K1392 PolarHBondContact O-NZ 3.29Å
1036	N	82.3	Confident	86.2	Confident	72 Å²	72	28.6 Å²	28.6	39%	0.385	14%	0.143	S	C	.	.	S	Bend	trans	-90.2	-22.9	-176.5	-71.1	-6	0	0	0	114.4	K1392	N1036-K1392 WeakPolarHBondContact OD1-CE 3.44Å
1037	E	83.1	Confident	85.6	Confident	83 Å²	83	32.2 Å²	32.2	39%	0.388	16%	0.16	S	C	.	.	S	Bend	trans	-120.6	-11.6	-177.8	-64.5	-165.6	-168.3	0	0	113.1	D1035 V1056 T1057	D1035-E1037 PolarHBondContact OD1-N 2.81Å; E1037-V1056 WeakPolarHBondContact O-CB 3.46Å; E1037-V1056 WeakPolarHBondContact O-CG2 3.27Å; E1037-V1056 PolarHBondContact O-N 3.28Å; E1037-T1057 HydrophobicContact CG-CG2 3.95Å; E1037-T1057 WeakPolarHBondContact OE2-CB 3.32Å; E1037-T1057 WeakPolarHBondContact OE2-CG2 3.39Å; E1037-T1057 PolarHBondContact OE2-OG1 2.91Å
1038	H	87.2	Confident	85.3	Confident	48 Å²	48	37.1 Å²	37.1	22%	0.222	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.4	-172.4	-53.9	-25.4	0	0	0	112.2	Y1034 D1035 V1054	Y1034-H1038 HydrophobicContact CD1-CB 4.26Å; Y1034-H1038 HydrophobicContact CE1-CB 3.4Å; Y1034-H1038 HydrophobicContact CE2-CB 4.14Å; Y1034-H1038 PolarHBondContact N-O 3.01Å; Y1034-H1038 VanDerWaalsContact OH-CB 3.22Å; Y1034-H1038 WeakPolarHBondContact OH-CB 3.35Å; Y1034-H1038 PolarHBondContact OH-CD2 2.94Å; Y1034-H1038 VanDerWaalsContact OH-CD2 3.22Å; D1035-H1038 WeakPolarHBondContact OD1-CB 3.28Å; D1035-H1038 IonicContact OD1-CD2 2.7Å; D1035-H1038 IonicContact OD1-CG 3.87Å; D1035-H1038 PolarHBondContact OD1-N 3.39Å; D1035-H1038 IonicContact OD2-CD2 3.03Å; D1035-H1038 PolarHBondContact OD2-CD2 2.92Å; D1035-H1038 IonicContact OD2-CG 2.78Å; H1038-V1054 WeakPolarHBondContact CA-O 3.26Å
1039	L	89.7	Confident	85.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.2	-177.7	99.1	96.1	0	0	0	110.4	I1031 T1032 F1033 I1041 E1053 V1054 V1056 I1402	I1031-L1039 HydrophobicContact CD1-CD1 3.46Å; I1031-L1039 VanDerWaalsContact CD1-CD1 3.46Å; I1031-L1039 HydrophobicContact CG1-CD1 3.32Å; T1032-L1039 CarbonylContact O-C 3.54Å; T1032-L1039 VanDerWaalsContact O-CA 3.3Å; T1032-L1039 WeakPolarHBondContact O-CA 3.49Å; T1032-L1039 WeakPolarHBondContact O-CB 3.46Å; F1033-L1039 HydrophobicContact CD1-CB 3.58Å; F1033-L1039 HydrophobicContact CE1-CB 3.85Å; F1033-L1039 HydrophobicContact CE1-CD2 4.11Å; F1033-L1039 HydrophobicContact CG-CB 3.95Å; F1033-L1039 HydrophobicContact CZ-CB 4.44Å; F1033-L1039 HydrophobicContact CZ-CD2 4.1Å; L1039-I1041 HydrophobicContact CD1-CD1 4.16Å; L1039-I1041 HydrophobicContact CD1-CG1 3.61Å; L1039-E1053 CarbonylContact O-C 3.33Å; L1039-E1053 WeakPolarHBondContact O-CA 3.32Å; L1039-V1054 HydrophobicContact CD1-CG2 4.38Å; L1039-V1054 HydrophobicContact CD2-CB 3.88Å; L1039-V1054 HydrophobicContact CD2-CG1 4.33Å; L1039-V1054 HydrophobicContact CD2-CG2 4.12Å; L1039-V1054 HydrophobicContact CG-CB 3.83Å; L1039-V1054 HydrophobicContact CG-CG2 3.91Å; L1039-V1054 PolarHBondContact N-O 3.12Å; L1039-V1054 VanDerWaalsContact N-O 3.14Å; L1039-V1054 PolarHBondContact O-N 2.89Å; L1039-V1056 HydrophobicContact CD2-CG2 3.7Å; L1039-I1402 HydrophobicContact CD2-CD1 3.94Å; L1039-I1402 HydrophobicContact CD2-CG1 3.81Å; L1039-I1402 HydrophobicContact CD2-CG2 4.47Å
1040	W	88.5	Confident	84.9	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.1	-178.7	-82.2	29.6	0	0	0	111	I1031 T1032 Y1034 I1051 E1053 I1064 I1075 I1083 Y1095 V1097	I1031-W1040 WeakPolarHBondContact CA-O 3.44Å; T1032-W1040 PolarHBondContact N-O 3.43Å; T1032-W1040 VanDerWaalsContact N-O 3.07Å; T1032-W1040 PolarHBondContact O-N 3.43Å; Y1034-W1040 AromaticContact CD1-CD1 3.52Å; Y1034-W1040 HydrophobicContact CD1-CG 4.24Å; Y1034-W1040 AromaticContact CD1-NE1 3.78Å; Y1034-W1040 AromaticContact CE1-CD1 3.4Å; Y1034-W1040 VanDerWaalsContact CE1-CD1 3.4Å; Y1034-W1040 HydrophobicContact CE1-CG 4.47Å; Y1034-W1040 AromaticContact CE1-NE1 3.32Å; Y1034-W1040 VanDerWaalsContact CE1-NE1 3.32Å; W1040-I1051 HydrophobicContact CB-CG2 4.28Å; W1040-I1051 HydrophobicContact CD2-CG2 3.99Å; W1040-I1051 HydrophobicContact CE3-CD1 4.14Å; W1040-I1051 HydrophobicContact CE3-CG2 3.51Å; W1040-I1051 HydrophobicContact CG-CG2 4.36Å; W1040-I1051 HydrophobicContact CZ3-CD1 3.83Å; W1040-I1051 HydrophobicContact CZ3-CG2 3.99Å; W1040-E1053 PolarHBondContact NE1-OE1 3.49Å; W1040-I1064 HydrophobicContact CD2-CD1 4.03Å; W1040-I1064 HydrophobicContact CE3-CD1 4.24Å; W1040-I1064 HydrophobicContact CH2-CD1 3.45Å; W1040-I1064 VanDerWaalsContact CH2-CD1 3.45Å; W1040-I1064 HydrophobicContact CZ2-CD1 3.28Å; W1040-I1064 HydrophobicContact CZ3-CD1 3.96Å; W1040-I1075 HydrophobicContact CB-CD1 4.43Å; W1040-I1083 HydrophobicContact CB-CD1 4.29Å; W1040-I1083 HydrophobicContact CD2-CD1 3.44Å; W1040-I1083 VanDerWaalsContact CD2-CD1 3.44Å; W1040-I1083 HydrophobicContact CE3-CD1 3.43Å; W1040-I1083 VanDerWaalsContact CE3-CD1 3.43Å; W1040-I1083 HydrophobicContact CG-CD1 3.81Å; W1040-I1083 HydrophobicContact CZ3-CD1 4.12Å; W1040-Y1095 AromaticContact CH2-CD1 3.61Å; W1040-Y1095 HydrophobicContact CH2-CD1 3.61Å; W1040-Y1095 AromaticContact CH2-CE1 3.4Å; W1040-Y1095 HydrophobicContact CH2-CE1 3.4Å; W1040-Y1095 VanDerWaalsContact CH2-CE1 3.4Å; W1040-Y1095 AromaticContact CZ3-CD1 3.64Å; W1040-Y1095 HydrophobicContact CZ3-CD1 3.64Å; W1040-Y1095 AromaticContact CZ3-CE1 3.8Å; W1040-Y1095 HydrophobicContact CZ3-CE1 3.8Å; W1040-Y1095 HydrophobicContact CZ3-CG 4.29Å; W1040-V1097 HydrophobicContact CZ2-CB 4.46Å; W1040-V1097 HydrophobicContact CZ2-CG1 4.14Å; W1040-V1097 HydrophobicContact CZ2-CG2 4.25Å
1041	I	90	Very high	84.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.9	176.8	-59.3	-171.6	0	0	0	108.7	I1028 I1031 L1039 Y1043 I1051 S1052 V1054 M1061 V1414	I1028-I1041 HydrophobicContact CG2-CG2 3.85Å; I1031-I1041 HydrophobicContact CD1-CD1 4.01Å; I1031-I1041 HydrophobicContact CD1-CG1 3.92Å; I1031-I1041 HydrophobicContact CG1-CG1 4.04Å; L1039-I1041 HydrophobicContact CD1-CD1 4.16Å; L1039-I1041 HydrophobicContact CD1-CG1 3.61Å; I1041-Y1043 HydrophobicContact CG2-CD1 4.43Å; I1041-I1051 WeakPolarHBondContact O-CA 3.35Å; I1041-S1052 PolarHBondContact N-O 3.31Å; I1041-S1052 PolarHBondContact O-N 3.11Å; I1041-V1054 HydrophobicContact CD1-CG2 3.76Å; I1041-V1054 HydrophobicContact CG1-CG2 4.06Å; I1041-M1061 HydrophobicContact CD1-SD 3.9Å; I1041-V1414 HydrophobicContact CD1-CB 4.49Å; I1041-V1414 HydrophobicContact CD1-CG1 3.86Å; I1041-V1414 HydrophobicContact CD1-CG2 3.75Å
1042	C	90.4	Very high	84.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.5	167.3	-68.6	0	0	0	0	109.5	Q1029 A1030 Q1050 V1072	Q1029-C1042 HydrophobicContact CB-CB 4.42Å; Q1029-C1042 WeakPolarHBondContact CB-O 3.14Å; Q1029-C1042 PolarHBondContact N-O 2.93Å; A1030-C1042 HydrophobicContact CB-CB 4.26Å; A1030-C1042 PolarHBondContact N-O 2.89Å; A1030-C1042 PolarHBondContact O-N 3.38Å; C1042-Q1050 WeakPolarHBondContact CA-O 3.43Å; C1042-V1072 HydrophobicContact CB-CB 4.12Å; C1042-V1072 HydrophobicContact CB-CG1 4.27Å; C1042-V1072 HydrophobicContact CB-CG2 4.15Å
1043	Y	89.8	Confident	84.3	Confident	11 Å²	11	40.3 Å²	40.3	4%	0.043	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.8	179	62.3	-79.4	0	0	0	110.4	A1026 V1027 I1041 S1049 Q1050 S1052 S1063 F1408	A1026-Y1043 HydrophobicContact CB-CD2 4.06Å; V1027-Y1043 CarbonylContact O-C 3.57Å; V1027-Y1043 WeakPolarHBondContact O-CA 3.34Å; I1041-Y1043 HydrophobicContact CG2-CD1 4.43Å; Y1043-S1049 CarbonylContact O-C 3.54Å; Y1043-S1049 WeakPolarHBondContact O-CA 3.43Å; Y1043-Q1050 HydrophobicContact CD2-CB 4.42Å; Y1043-Q1050 HydrophobicContact CE1-CB 3.94Å; Y1043-Q1050 HydrophobicContact CE2-CB 3.72Å; Y1043-Q1050 VanDerWaalsContact CZ-CB 3.43Å; Y1043-Q1050 PolarHBondContact N-O 2.87Å; Y1043-Q1050 PolarHBondContact O-N 3.21Å; Y1043-Q1050 VanDerWaalsContact O-O 3.12Å; Y1043-Q1050 WeakPolarHBondContact OH-CB 3.29Å; Y1043-Q1050 PolarHBondContact OH-OE1 3.5Å; Y1043-S1052 VanDerWaalsContact CE1-OG 3.24Å; Y1043-S1052 WeakPolarHBondContact CE1-OG 3.38Å; Y1043-S1052 PolarHBondContact OH-OG 2.9Å; Y1043-S1063 PolarHBondContact OH-OG 3.44Å; Y1043-F1408 AromaticContact CD1-CD2 3.55Å; Y1043-F1408 HydrophobicContact CD1-CD2 3.55Å; Y1043-F1408 AromaticContact CD1-CE2 3.34Å; Y1043-F1408 HydrophobicContact CD1-CE2 3.34Å; Y1043-F1408 HydrophobicContact CD1-CG 4.27Å; Y1043-F1408 AromaticContact CD1-CZ 3.95Å; Y1043-F1408 HydrophobicContact CD1-CZ 3.95Å; Y1043-F1408 HydrophobicContact CD2-CB 4.07Å; Y1043-F1408 AromaticContact CD2-CD1 3.7Å; Y1043-F1408 HydrophobicContact CD2-CD1 3.7Å; Y1043-F1408 AromaticContact CD2-CD2 3.72Å; Y1043-F1408 HydrophobicContact CD2-CD2 3.72Å; Y1043-F1408 AromaticContact CD2-CE1 3.96Å; Y1043-F1408 HydrophobicContact CD2-CE1 3.96Å; Y1043-F1408 AromaticContact CD2-CE2 3.96Å; Y1043-F1408 HydrophobicContact CD2-CE2 3.96Å; Y1043-F1408 AromaticContact CD2-CG 3.56Å; Y1043-F1408 HydrophobicContact CD2-CG 3.56Å; Y1043-F1408 HydrophobicContact CD2-CZ 4.08Å; Y1043-F1408 HydrophobicContact CE1-CD2 4.15Å; Y1043-F1408 HydrophobicContact CE1-CE1 4.41Å; Y1043-F1408 AromaticContact CE1-CE2 3.52Å; Y1043-F1408 HydrophobicContact CE1-CE2 3.52Å; Y1043-F1408 AromaticContact CE1-CZ 3.67Å; Y1043-F1408 HydrophobicContact CE1-CZ 3.67Å; Y1043-F1408 AromaticContact CE2-CD1 3.88Å; Y1043-F1408 HydrophobicContact CE2-CD1 3.88Å; Y1043-F1408 HydrophobicContact CE2-CD2 4.29Å; Y1043-F1408 AromaticContact CE2-CE1 3.68Å; Y1043-F1408 HydrophobicContact CE2-CE1 3.68Å; Y1043-F1408 HydrophobicContact CE2-CE2 4.11Å; Y1043-F1408 HydrophobicContact CE2-CG 4.17Å; Y1043-F1408 AromaticContact CE2-CZ 3.8Å; Y1043-F1408 HydrophobicContact CE2-CZ 3.8Å; Y1043-F1408 HydrophobicContact CG-CB 4.13Å; Y1043-F1408 HydrophobicContact CG-CD1 4.21Å; Y1043-F1408 AromaticContact CG-CD2 3.32Å; Y1043-F1408 HydrophobicContact CG-CD2 3.32Å; Y1043-F1408 HydrophobicContact CG-CE1 4.45Å; Y1043-F1408 AromaticContact CG-CE2 3.6Å; Y1043-F1408 HydrophobicContact CG-CE2 3.6Å; Y1043-F1408 AromaticContact CG-CG 3.64Å; Y1043-F1408 HydrophobicContact CG-CG 3.64Å; Y1043-F1408 HydrophobicContact CG-CZ 4.17Å; Y1043-F1408 AromaticContact CZ-CE1 3.94Å; Y1043-F1408 AromaticContact CZ-CE2 3.91Å; Y1043-F1408 AromaticContact CZ-CZ 3.59Å
1044	G	83.7	Confident	84.1	Confident	8 Å²	8	39.6 Å²	39.6	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	-170.9	-177.3	0	0	0	0	0	113	V1027 Q1029 Y1048	V1027-G1044 PolarHBondContact N-O 2.97Å; V1027-G1044 PolarHBondContact O-N 3.41Å; Q1029-G1044 VanDerWaalsContact NE2-C 3.34Å; G1044-Y1048 WeakPolarHBondContact CA-O 3.49Å
1045	D	78.1	Confident	84.2	Confident	47 Å²	47	40.5 Å²	40.5	25%	0.251	19%	0.194	S	C	.	.			trans	-99.1	-122.8	-171.7	63.8	16.8	0	0	0	113	L1047 Y1048	D1045-L1047 WeakPolarHBondContact OD1-CA 3.49Å; D1045-L1047 PolarHBondContact OD1-N 3.16Å; D1045-Y1048 PolarHBondContact N-O 3.21Å; D1045-Y1048 VanDerWaalsContact N-O 3.11Å; D1045-Y1048 PolarHBondContact OD1-N 2.85Å
1046	K	67.4	Low	84.1	Confident	173 Å²	173	39 Å²	39	75%	0.752	19%	0.186	S	C	*	.	S	Bend	trans	-111.1	-11.7	175.9	-63	171.5	-173.8	160.1	0	112.5
1047	L	66.8	Low	84.1	Confident	95 Å²	95	39.7 Å²	39.7	50%	0.497	19%	0.193	S	C	.	.	S	Bend	trans	-112.2	-50.9	-174.8	-63.5	176.6	0	0	0	110	D1045 E1069 S1070	D1045-L1047 WeakPolarHBondContact OD1-CA 3.49Å; D1045-L1047 PolarHBondContact OD1-N 3.16Å; L1047-E1069 CarbonylContact O-C 3.25Å; L1047-S1070 WeakPolarHBondContact O-CA 3.42Å; L1047-S1070 PolarHBondContact O-N 3.29Å
1048	Y	78.4	Confident	84.1	Confident	126 Å²	126	39.2 Å²	39.2	49%	0.494	20%	0.199	S	C	.	.			trans	-121.9	152.9	-170.6	-50	-71.9	0	0	0	112.3	G1044 D1045 L1068	G1044-Y1048 WeakPolarHBondContact CA-O 3.49Å; D1045-Y1048 PolarHBondContact N-O 3.21Å; D1045-Y1048 VanDerWaalsContact N-O 3.11Å; D1045-Y1048 PolarHBondContact OD1-N 2.85Å; Y1048-L1068 WeakPolarHBondContact CA-O 3.48Å
1049	S	86.1	Confident	84	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.2	169.7	-42.3	0	0	0	0	110.9	Q1029 Y1043 L1068 S1070 R1071 V1072	Q1029-S1049 PolarHBondContact NE2-OG 3.44Å; Q1029-S1049 VanDerWaalsContact NE2-OG 3.1Å; Q1029-S1049 PolarHBondContact OE1-OG 3.49Å; Y1043-S1049 CarbonylContact O-C 3.54Å; Y1043-S1049 WeakPolarHBondContact O-CA 3.43Å; S1049-L1068 PolarHBondContact N-O 3.07Å; S1049-L1068 PolarHBondContact O-N 2.91Å; S1049-S1070 PolarHBondContact OG-O 3.24Å; S1049-R1071 VanDerWaalsContact OG-CA 3.27Å; S1049-R1071 WeakPolarHBondContact OG-CA 3.34Å; S1049-V1072 PolarHBondContact OG-N 2.9Å
1050	Q	86.4	Confident	83.7	Confident	62 Å²	62	39.3 Å²	39.3	29%	0.29	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	159.6	167.5	-75.7	176.5	6.3	0	0	110.1	C1042 Y1043 E1067	C1042-Q1050 WeakPolarHBondContact CA-O 3.43Å; Y1043-Q1050 HydrophobicContact CD2-CB 4.42Å; Y1043-Q1050 HydrophobicContact CE1-CB 3.94Å; Y1043-Q1050 HydrophobicContact CE2-CB 3.72Å; Y1043-Q1050 VanDerWaalsContact CZ-CB 3.43Å; Y1043-Q1050 PolarHBondContact N-O 2.87Å; Y1043-Q1050 PolarHBondContact O-N 3.21Å; Y1043-Q1050 VanDerWaalsContact O-O 3.12Å; Y1043-Q1050 WeakPolarHBondContact OH-CB 3.29Å; Y1043-Q1050 PolarHBondContact OH-OE1 3.5Å; Q1050-E1067 HydrophobicContact CG-CG 3.84Å; Q1050-E1067 PolarHBondContact NE2-OE1 3.38Å
1051	I	86.6	Confident	83.6	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.7	170.5	-40.3	178.8	0	0	0	109.2	W1040 I1041 I1064 L1068 L1085	W1040-I1051 HydrophobicContact CB-CG2 4.28Å; W1040-I1051 HydrophobicContact CD2-CG2 3.99Å; W1040-I1051 HydrophobicContact CE3-CD1 4.14Å; W1040-I1051 HydrophobicContact CE3-CG2 3.51Å; W1040-I1051 HydrophobicContact CG-CG2 4.36Å; W1040-I1051 HydrophobicContact CZ3-CD1 3.83Å; W1040-I1051 HydrophobicContact CZ3-CG2 3.99Å; I1041-I1051 WeakPolarHBondContact O-CA 3.35Å; I1051-I1064 HydrophobicContact CB-CD1 4.19Å; I1051-I1064 HydrophobicContact CG2-CD1 4.03Å; I1051-I1064 WeakPolarHBondContact O-CB 3.19Å; I1051-I1064 WeakPolarHBondContact O-CG1 3.21Å; I1051-I1064 PolarHBondContact O-N 2.65Å; I1051-L1068 HydrophobicContact CD1-CD1 4.18Å; I1051-L1068 HydrophobicContact CG1-CD1 4.31Å; I1051-L1085 HydrophobicContact CD1-CD1 4.21Å
1052	S	86.9	Confident	83.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	168.1	-78.1	0	0	0	0	109.6	I1041 Y1043 Q1062 S1063	I1041-S1052 PolarHBondContact N-O 3.31Å; I1041-S1052 PolarHBondContact O-N 3.11Å; Y1043-S1052 VanDerWaalsContact CE1-OG 3.24Å; Y1043-S1052 WeakPolarHBondContact CE1-OG 3.38Å; Y1043-S1052 PolarHBondContact OH-OG 2.9Å; S1052-Q1062 CarbonylContact C-O 3.6Å; S1052-Q1062 VanDerWaalsContact CA-O 3.27Å; S1052-Q1062 WeakPolarHBondContact CA-O 3.42Å; S1052-Q1062 WeakPolarHBondContact CB-O 3.09Å; S1052-S1063 VanDerWaalsContact OG-CA 3.27Å; S1052-S1063 WeakPolarHBondContact OG-CA 3.33Å; S1052-S1063 PolarHBondContact OG-N 3.39Å
1053	E	87.5	Confident	82.8	Confident	49 Å²	49	44 Å²	44	23%	0.229	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141.9	168.6	179.9	161.4	-89	0	0	109.6	Y1034 L1039 W1040 M1061 Q1062 I1064	Y1034-E1053 PolarHBondContact OH-OE1 2.81Å; L1039-E1053 CarbonylContact O-C 3.33Å; L1039-E1053 WeakPolarHBondContact O-CA 3.32Å; W1040-E1053 PolarHBondContact NE1-OE1 3.49Å; E1053-M1061 CarbonylContact O-C 3.58Å; E1053-M1061 VanDerWaalsContact O-CA 3.26Å; E1053-M1061 WeakPolarHBondContact O-CA 3.46Å; E1053-Q1062 PolarHBondContact N-O 3.49Å; E1053-Q1062 PolarHBondContact O-N 3.44Å; E1053-I1064 HydrophobicContact CB-CD1 4.15Å; E1053-I1064 HydrophobicContact CB-CG1 4.29Å
1054	V	87.7	Confident	82.2	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.7	170.5	-168.9	0	0	0	0	109.5	H1038 L1039 I1041 V1056 C1060 M1061 I1432	H1038-V1054 WeakPolarHBondContact CA-O 3.26Å; L1039-V1054 HydrophobicContact CD1-CG2 4.38Å; L1039-V1054 HydrophobicContact CD2-CB 3.88Å; L1039-V1054 HydrophobicContact CD2-CG1 4.33Å; L1039-V1054 HydrophobicContact CD2-CG2 4.12Å; L1039-V1054 HydrophobicContact CG-CB 3.83Å; L1039-V1054 HydrophobicContact CG-CG2 3.91Å; L1039-V1054 PolarHBondContact N-O 3.12Å; L1039-V1054 VanDerWaalsContact N-O 3.14Å; L1039-V1054 PolarHBondContact O-N 2.89Å; I1041-V1054 HydrophobicContact CD1-CG2 3.76Å; I1041-V1054 HydrophobicContact CG1-CG2 4.06Å; V1054-V1056 HydrophobicContact CB-CG2 4.44Å; V1054-V1056 HydrophobicContact CG1-CG2 4.06Å; V1054-C1060 CarbonylContact C-O 3.52Å; V1054-C1060 WeakPolarHBondContact CA-O 3.37Å; V1054-C1060 WeakPolarHBondContact CG1-O 3.3Å; V1054-M1061 HydrophobicContact CG2-CB 4.04Å; V1054-M1061 HydrophobicContact CG2-CG 3.88Å; V1054-M1061 HydrophobicContact CG2-SD 3.85Å; V1054-I1432 HydrophobicContact CG1-CD1 3.9Å; V1054-I1432 HydrophobicContact CG1-CG1 4.16Å; V1054-I1432 HydrophobicContact CG1-CG2 3.57Å; V1054-I1432 HydrophobicContact CG2-CG2 4.46Å
1055	V	87.6	Confident	81.6	Confident	40 Å²	40	46.7 Å²	46.7	24%	0.242	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	99.3	169.2	179.2	0	0	0	0	107.8	T1057 S1058 N1059 C1060	V1055-T1057 VanDerWaalsContact C-N 3.31Å; V1055-T1057 PolarHBondContact O-N 2.97Å; V1055-S1058 WeakPolarHBondContact CB-OG 3.39Å; V1055-S1058 VanDerWaalsContact CG1-OG 3.31Å; V1055-S1058 WeakPolarHBondContact CG1-OG 3.26Å; V1055-S1058 PolarHBondContact O-N 3.02Å; V1055-S1058 VanDerWaalsContact O-N 3.14Å; V1055-S1058 PolarHBondContact O-OG 3.39Å; V1055-S1058 VanDerWaalsContact O-OG 3.07Å; V1055-N1059 PolarHBondContact O-N 3.24Å; V1055-N1059 VanDerWaalsContact O-N 3.11Å; V1055-C1060 PolarHBondContact N-O 2.76Å; V1055-C1060 PolarHBondContact O-N 3.38Å
1056	V	81.8	Confident	81.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.4	-165.2	-169.4	0	0	0	0	112.9	F1033 E1037 L1039 V1054 N1059 L1400 I1402 K1416	F1033-V1056 HydrophobicContact CE1-CG2 4.16Å; E1037-V1056 WeakPolarHBondContact O-CB 3.46Å; E1037-V1056 WeakPolarHBondContact O-CG2 3.27Å; E1037-V1056 PolarHBondContact O-N 3.28Å; L1039-V1056 HydrophobicContact CD2-CG2 3.7Å; V1054-V1056 HydrophobicContact CB-CG2 4.44Å; V1054-V1056 HydrophobicContact CG1-CG2 4.06Å; V1056-N1059 PolarHBondContact O-OD1 3.29Å; V1056-L1400 HydrophobicContact CB-CD1 3.94Å; V1056-L1400 HydrophobicContact CG1-CD1 3.62Å; V1056-L1400 HydrophobicContact CG1-CD2 3.68Å; V1056-L1400 HydrophobicContact CG1-CG 4.22Å; V1056-I1402 HydrophobicContact CG1-CD1 4.1Å; V1056-I1402 HydrophobicContact CG2-CD1 4.46Å; V1056-K1416 HydrophobicContact CG1-CD 3.65Å; V1056-K1416 HydrophobicContact CG1-CG 4.06Å; V1056-K1416 WeakPolarHBondContact O-CE 3.49Å; V1056-K1416 PolarHBondContact O-NZ 3.49Å
1057	T	83	Confident	81.9	Confident	86 Å²	86	44.1 Å²	44.1	53%	0.528	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.3	169.6	35.4	0	0	0	0	113.2	E1037 V1055	E1037-T1057 HydrophobicContact CG-CG2 3.95Å; E1037-T1057 WeakPolarHBondContact OE2-CB 3.32Å; E1037-T1057 WeakPolarHBondContact OE2-CG2 3.39Å; E1037-T1057 PolarHBondContact OE2-OG1 2.91Å; V1055-T1057 VanDerWaalsContact C-N 3.31Å; V1055-T1057 PolarHBondContact O-N 2.97Å
1058	S	82.8	Confident	82.5	Confident	73 Å²	73	39.8 Å²	39.8	51%	0.51	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-0.5	176.9	64.8	0	0	0	0	114.1	V1055 C1060	V1055-S1058 WeakPolarHBondContact CB-OG 3.39Å; V1055-S1058 VanDerWaalsContact CG1-OG 3.31Å; V1055-S1058 WeakPolarHBondContact CG1-OG 3.26Å; V1055-S1058 PolarHBondContact O-N 3.02Å; V1055-S1058 VanDerWaalsContact O-N 3.14Å; V1055-S1058 PolarHBondContact O-OG 3.39Å; V1055-S1058 VanDerWaalsContact O-OG 3.07Å; S1058-C1060 PolarHBondContact O-N 2.97Å; S1058-C1060 WeakPolarHBondContact OG-CB 3.32Å
1059	N	84.5	Confident	82.7	Confident	24 Å²	24	42 Å²	42	13%	0.128	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.8	-173.2	-64.7	-13.1	0	0	0	113	V1055 V1056 K1416 E1430 Y1433	V1055-N1059 PolarHBondContact O-N 3.24Å; V1055-N1059 VanDerWaalsContact O-N 3.11Å; V1056-N1059 PolarHBondContact O-OD1 3.29Å; N1059-K1416 WeakPolarHBondContact OD1-CD 3.42Å; N1059-K1416 WeakPolarHBondContact OD1-CE 3.4Å; N1059-K1416 PolarHBondContact OD1-NZ 3.1Å; N1059-E1430 PolarHBondContact ND2-OE1 2.75Å; N1059-E1430 PolarHBondContact OD1-OE1 2.91Å; N1059-Y1433 HydrophobicContact CB-CD2 4.35Å; N1059-Y1433 PolarHBondContact O-N 3.48Å
1060	C	84.2	Confident	82.5	Confident	25 Å²	25	42.8 Å²	42.8	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.4	-170	-174.8	0	0	0	0	110.7	V1054 V1055 S1058 Y1433 F1435	V1054-C1060 CarbonylContact C-O 3.52Å; V1054-C1060 WeakPolarHBondContact CA-O 3.37Å; V1054-C1060 WeakPolarHBondContact CG1-O 3.3Å; V1055-C1060 PolarHBondContact N-O 2.76Å; V1055-C1060 PolarHBondContact O-N 3.38Å; S1058-C1060 PolarHBondContact O-N 2.97Å; S1058-C1060 WeakPolarHBondContact OG-CB 3.32Å; C1060-Y1433 CarbonylContact C-O 3.12Å; C1060-F1435 WeakPolarHBondContact SG-CB 3.46Å
1061	M	85.4	Confident	82.4	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.7	173.7	-179.8	163.9	60.5	0	0	110.4	I1041 E1053 V1054 F1408 V1414 I1432 Y1433 V1434 F1435	I1041-M1061 HydrophobicContact CD1-SD 3.9Å; E1053-M1061 CarbonylContact O-C 3.58Å; E1053-M1061 VanDerWaalsContact O-CA 3.26Å; E1053-M1061 WeakPolarHBondContact O-CA 3.46Å; V1054-M1061 HydrophobicContact CG2-CB 4.04Å; V1054-M1061 HydrophobicContact CG2-CG 3.88Å; V1054-M1061 HydrophobicContact CG2-SD 3.85Å; M1061-F1408 HydrophobicContact CE-CD2 4.15Å; M1061-F1408 HydrophobicContact CE-CE2 3.33Å; M1061-F1408 HydrophobicContact CE-CZ 3.57Å; M1061-F1408 HydrophobicContact SD-CE2 3.64Å; M1061-F1408 HydrophobicContact SD-CZ 4.14Å; M1061-V1414 HydrophobicContact CE-CG2 4.17Å; M1061-I1432 HydrophobicContact CB-CG2 3.7Å; M1061-Y1433 PolarHBondContact N-O 3.04Å; M1061-V1434 HydrophobicContact CE-CG2 3.79Å; M1061-V1434 WeakPolarHBondContact O-CA 3.36Å; M1061-F1435 PolarHBondContact O-N 2.99Å
1062	Q	83.6	Confident	82.6	Confident	59 Å²	59	43.1 Å²	43.1	28%	0.276	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	130	-177.1	-175.9	173.1	104.7	0	0	110.7	S1052 E1053 R1437	S1052-Q1062 CarbonylContact C-O 3.6Å; S1052-Q1062 VanDerWaalsContact CA-O 3.27Å; S1052-Q1062 WeakPolarHBondContact CA-O 3.42Å; S1052-Q1062 WeakPolarHBondContact CB-O 3.09Å; E1053-Q1062 PolarHBondContact N-O 3.49Å; E1053-Q1062 PolarHBondContact O-N 3.44Å; Q1062-R1437 VanDerWaalsContact CD-NE 3.28Å; Q1062-R1437 HydrophobicContact CG-CG 4.16Å; Q1062-R1437 VanDerWaalsContact OE1-CZ 3.25Å
1063	S	80.8	Confident	82.7	Confident	38 Å²	38	44.8 Å²	44.8	27%	0.266	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135	173.3	-170.7	0	0	0	0	111	Y1043 S1052 G1065 R1437	Y1043-S1063 PolarHBondContact OH-OG 3.44Å; S1052-S1063 VanDerWaalsContact OG-CA 3.27Å; S1052-S1063 WeakPolarHBondContact OG-CA 3.33Å; S1052-S1063 PolarHBondContact OG-N 3.39Å; S1063-G1065 VanDerWaalsContact C-N 3.32Å; S1063-R1437 PolarHBondContact O-NH1 3.09Å
1064	I	77.4	Confident	82.9	Confident	13 Å²	13	42.9 Å²	42.9	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-22.9	-175.7	-61.3	-178	0	0	0	110.8	W1040 I1051 E1053 Y1066 N1100 R1437	W1040-I1064 HydrophobicContact CD2-CD1 4.03Å; W1040-I1064 HydrophobicContact CE3-CD1 4.24Å; W1040-I1064 HydrophobicContact CH2-CD1 3.45Å; W1040-I1064 VanDerWaalsContact CH2-CD1 3.45Å; W1040-I1064 HydrophobicContact CZ2-CD1 3.28Å; W1040-I1064 HydrophobicContact CZ3-CD1 3.96Å; I1051-I1064 HydrophobicContact CB-CD1 4.19Å; I1051-I1064 HydrophobicContact CG2-CD1 4.03Å; I1051-I1064 WeakPolarHBondContact O-CB 3.19Å; I1051-I1064 WeakPolarHBondContact O-CG1 3.21Å; I1051-I1064 PolarHBondContact O-N 2.65Å; E1053-I1064 HydrophobicContact CB-CD1 4.15Å; E1053-I1064 HydrophobicContact CB-CG1 4.29Å; I1064-Y1066 VanDerWaalsContact C-N 3.34Å; I1064-N1100 WeakPolarHBondContact CG2-OD1 3.4Å; I1064-R1437 PolarHBondContact O-NH1 3.42Å
1065	G	69.9	Low	83.1	Confident	64 Å²	64	43.8 Å²	43.8	66%	0.66	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	81.6	9.6	-178	0	0	0	0	0	114.3	S1063	S1063-G1065 VanDerWaalsContact C-N 3.32Å
1066	Y	74.5	Confident	83.3	Confident	59 Å²	59	42.7 Å²	42.7	23%	0.231	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.4	174.9	-171.9	-85.1	0	0	0	110.2	I1064 L1068 Y1095	I1064-Y1066 VanDerWaalsContact C-N 3.34Å; Y1066-L1068 HydrophobicContact CD1-CD2 4.48Å; Y1066-L1068 HydrophobicContact CD1-CG 4.39Å; Y1066-L1068 HydrophobicContact CE1-CD2 3.75Å; Y1066-L1068 HydrophobicContact CE1-CG 4.09Å; Y1066-Y1095 AromaticContact CD1-CE2 3.68Å; Y1066-Y1095 HydrophobicContact CD1-CE2 3.68Å; Y1066-Y1095 AromaticContact CD2-CE2 3.97Å; Y1066-Y1095 HydrophobicContact CD2-CE2 3.97Å; Y1066-Y1095 HydrophobicContact CE1-CD2 4.37Å; Y1066-Y1095 AromaticContact CE1-CE2 3.82Å; Y1066-Y1095 HydrophobicContact CE1-CE2 3.82Å; Y1066-Y1095 HydrophobicContact CE2-CE2 4.09Å; Y1066-Y1095 AromaticContact CG-CE2 3.77Å; Y1066-Y1095 HydrophobicContact CG-CE2 3.77Å
1067	E	78.6	Confident	83.7	Confident	106 Å²	106	43.3 Å²	43.3	50%	0.495	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.7	177	-62.9	-163.9	142.3	0	0	111.5	Q1050	Q1050-E1067 HydrophobicContact CG-CG 3.84Å; Q1050-E1067 PolarHBondContact NE2-OE1 3.38Å
1068	L	79.9	Confident	83.9	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.8	172.6	-67.2	160.2	0	0	0	108.9	Y1048 S1049 I1051 Y1066 S1070 V1072 L1085 M1087	Y1048-L1068 WeakPolarHBondContact CA-O 3.48Å; S1049-L1068 PolarHBondContact N-O 3.07Å; S1049-L1068 PolarHBondContact O-N 2.91Å; I1051-L1068 HydrophobicContact CD1-CD1 4.18Å; I1051-L1068 HydrophobicContact CG1-CD1 4.31Å; Y1066-L1068 HydrophobicContact CD1-CD2 4.48Å; Y1066-L1068 HydrophobicContact CD1-CG 4.39Å; Y1066-L1068 HydrophobicContact CE1-CD2 3.75Å; Y1066-L1068 HydrophobicContact CE1-CG 4.09Å; L1068-S1070 PolarHBondContact O-N 2.94Å; L1068-V1072 HydrophobicContact CD1-CG2 3.5Å; L1068-L1085 HydrophobicContact CD1-CD1 4.19Å; L1068-M1087 HydrophobicContact CD2-SD 4Å
1069	E	81.2	Confident	84.1	Confident	172 Å²	172	39.3 Å²	39.3	80%	0.804	22%	0.219	S	C	*	.	S	Bend	trans	-69.1	13.2	178	-56	173.3	151	0	0	113.9	L1047	L1047-E1069 CarbonylContact O-C 3.25Å
1070	S	83.4	Confident	84	Confident	17 Å²	17	43 Å²	43	12%	0.119	24%	0.24	C	C	.	.	S	Bend	trans	-153.6	161.9	176.8	-159.3	0	0	0	0	111.3	L1047 S1049 L1068 V1072 S1089	L1047-S1070 WeakPolarHBondContact O-CA 3.42Å; L1047-S1070 PolarHBondContact O-N 3.29Å; S1049-S1070 PolarHBondContact OG-O 3.24Å; L1068-S1070 PolarHBondContact O-N 2.94Å; S1070-V1072 PolarHBondContact O-N 3.49Å; S1070-S1089 WeakPolarHBondContact CB-OG 3.45Å; S1070-S1089 WeakPolarHBondContact OG-CB 3.32Å; S1070-S1089 PolarHBondContact OG-N 3.3Å; S1070-S1089 VanDerWaalsContact OG-N 3.13Å
1071	R	83.8	Confident	84.1	Confident	71 Å²	71	45.7 Å²	45.7	27%	0.268	25%	0.249	S	C	.	.			trans	-69.3	125.7	171.3	175.2	152.8	171.9	-151.5	-14.5	111.1	Q1029 S1049 M1088	Q1029-R1071 HydrophobicContact CG-CG 4.4Å; S1049-R1071 VanDerWaalsContact OG-CA 3.27Å; S1049-R1071 WeakPolarHBondContact OG-CA 3.34Å; R1071-M1088 HydrophobicContact CB-CB 4.39Å; R1071-M1088 HydrophobicContact CB-CG 4.19Å; R1071-M1088 HydrophobicContact CB-SD 3.94Å; R1071-M1088 HydrophobicContact CG-CG 4.24Å; R1071-M1088 HydrophobicContact CG-SD 3.75Å; R1071-M1088 PolarHBondContact O-N 3.5Å
1072	V	89.4	Confident	84.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.4	166.3	-176.1	0	0	0	0	108.7	Q1029 A1030 C1042 S1049 L1068 S1070 C1074 L1085	Q1029-V1072 PolarHBondContact OE1-O 3.46Å; A1030-V1072 HydrophobicContact CB-CG1 3.82Å; C1042-V1072 HydrophobicContact CB-CB 4.12Å; C1042-V1072 HydrophobicContact CB-CG1 4.27Å; C1042-V1072 HydrophobicContact CB-CG2 4.15Å; S1049-V1072 PolarHBondContact OG-N 2.9Å; L1068-V1072 HydrophobicContact CD1-CG2 3.5Å; S1070-V1072 PolarHBondContact O-N 3.49Å; V1072-C1074 WeakPolarHBondContact CG1-O 3.48Å; V1072-L1085 HydrophobicContact CG1-CD2 3.97Å; V1072-L1085 HydrophobicContact CG2-CD2 4.18Å
1073	S	89.4	Confident	84.6	Confident	36 Å²	36	43 Å²	43	25%	0.252	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-31.9	176.5	35.9	0	0	0	0	112.1	G1086 V1112	S1073-G1086 PolarHBondContact N-O 3.28Å; S1073-G1086 PolarHBondContact OG-O 3.12Å; S1073-G1086 VanDerWaalsContact OG-O 3.07Å; S1073-V1112 WeakPolarHBondContact CB-O 3.45Å; S1073-V1112 PolarHBondContact OG-O 2.9Å
1074	C	91.6	Very high	85.2	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	158.2	175.3	52.2	0	0	0	0	111.5	V1072 G1086 I1115	V1072-C1074 WeakPolarHBondContact CG1-O 3.48Å; C1074-G1086 PolarHBondContact N-O 2.92Å; C1074-G1086 PolarHBondContact O-N 3.31Å; C1074-I1115 VanDerWaalsContact SG-CD1 3.56Å
1075	I	92.5	Very high	86	Confident	19 Å²	19	40.6 Å²	40.6	10%	0.097	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.2	-178.1	-169.5	175.1	0	0	0	109.9	A1030 I1031 T1032 W1040 I1083 L1084 L1085	A1030-I1075 HydrophobicContact CB-CB 3.89Å; A1030-I1075 HydrophobicContact CB-CG2 3.51Å; I1031-I1075 VanDerWaalsContact N-CG2 3.31Å; T1032-I1075 HydrophobicContact CG2-CD1 3.98Å; T1032-I1075 HydrophobicContact CG2-CG1 3.95Å; T1032-I1075 HydrophobicContact CG2-CG2 4.19Å; W1040-I1075 HydrophobicContact CB-CD1 4.43Å; I1075-I1083 HydrophobicContact CD1-CG2 3.75Å; I1075-I1083 HydrophobicContact CG1-CG2 3.52Å; I1075-L1084 CarbonylContact C-O 3.46Å; I1075-L1084 WeakPolarHBondContact CA-O 3.48Å; I1075-L1085 HydrophobicContact CB-CD2 4.18Å; I1075-L1085 HydrophobicContact CD1-CD2 3.73Å; I1075-L1085 HydrophobicContact CG1-CD2 3.69Å
1076	C	91.8	Very high	87.1	Confident	16 Å²	16	37.6 Å²	37.6	11%	0.108	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	124	178.8	-163.6	0	0	0	0	110.4	F1078 L1084 I1115	C1076-F1078 PolarHBondContact O-N 3.04Å; C1076-L1084 PolarHBondContact N-O 2.96Å; C1076-L1084 PolarHBondContact O-N 3.09Å; C1076-I1115 HydrophobicContact CB-CB 4.09Å; C1076-I1115 HydrophobicContact CB-CG2 3.74Å
1077	A	89.9	Confident	87.7	Confident	15 Å²	15	35 Å²	35	12%	0.124	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	109.7	170.5	0	0	0	0	0	109.3	T1032 F1117	T1032-A1077 HydrophobicContact CG2-CB 4.03Å; A1077-F1117 WeakPolarHBondContact O-CE1 3.31Å
1078	F	88.3	Confident	87.9	Confident	29 Å²	29	34.6 Å²	34.6	13%	0.127	18%	0.179	C	C	.	.	S	Bend	trans	-81.9	-33	179	173.3	-95.6	0	0	0	111.4	C1076 I1082 L1084 F1117 N1126 V1128 I1143	C1076-F1078 PolarHBondContact O-N 3.04Å; F1078-I1082 HydrophobicContact CB-CG2 4.44Å; F1078-I1082 HydrophobicContact CD1-CB 4.24Å; F1078-I1082 HydrophobicContact CD1-CG2 4.27Å; F1078-I1082 PolarHBondContact N-O 3.29Å; F1078-L1084 HydrophobicContact CB-CD1 3.98Å; F1078-L1084 HydrophobicContact CB-CG 4.04Å; F1078-L1084 HydrophobicContact CD2-CD1 4.26Å; F1078-L1084 HydrophobicContact CG-CD1 4.37Å; F1078-F1117 HydrophobicContact CD2-CB 4.3Å; F1078-F1117 AromaticContact CD2-CD2 3.91Å; F1078-F1117 HydrophobicContact CD2-CD2 3.91Å; F1078-F1117 HydrophobicContact CD2-CE2 4.38Å; F1078-F1117 HydrophobicContact CD2-CG 4.06Å; F1078-F1117 HydrophobicContact CE2-CD2 4.2Å; F1078-N1126 HydrophobicContact CE2-CB 4.24Å; F1078-N1126 HydrophobicContact CZ-CB 4.21Å; F1078-V1128 HydrophobicContact CD2-CG2 4.08Å; F1078-V1128 HydrophobicContact CE2-CG2 4.15Å; F1078-I1143 HydrophobicContact CD1-CG2 4.19Å; F1078-I1143 HydrophobicContact CD2-CG2 4.16Å; F1078-I1143 HydrophobicContact CE1-CG2 3.91Å; F1078-I1143 HydrophobicContact CE2-CB 4.36Å; F1078-I1143 HydrophobicContact CE2-CG2 3.87Å; F1078-I1143 HydrophobicContact CG-CG2 4.31Å; F1078-I1143 HydrophobicContact CZ-CB 4.28Å; F1078-I1143 HydrophobicContact CZ-CG2 3.75Å; F1078-I1143 WeakPolarHBondContact CZ-O 3.38Å
1079	S	86.3	Confident	88.2	Confident	45 Å²	45	36.5 Å²	36.5	32%	0.315	19%	0.193	S	C	.	.	S	Bend	trans	-149.4	176.8	166.7	73.6	0	0	0	0	109.8	E1081 I1082	S1079-E1081 PolarHBondContact O-N 2.89Å; S1079-E1081 VanDerWaalsContact O-N 3.1Å; S1079-E1081 PolarHBondContact OG-N 3.36Å; S1079-E1081 VanDerWaalsContact OG-N 3.14Å; S1079-I1082 PolarHBondContact N-O 2.8Å; S1079-I1082 VanDerWaalsContact N-O 3.08Å; S1079-I1082 PolarHBondContact O-N 3.26Å; S1079-I1082 PolarHBondContact OG-N 3.41Å; S1079-I1082 VanDerWaalsContact OG-N 3.07Å
1080	N	82.8	Confident	88.7	Confident	103 Å²	103	32.6 Å²	32.6	55%	0.551	17%	0.174	S	C	*	.	S	Bend	trans	-60.1	-16.9	171.4	-58.8	37.3	0	0	0	112.9	Y1034	Y1034-N1080 VanDerWaalsContact CD2-O 3.3Å; Y1034-N1080 WeakPolarHBondContact CD2-O 3.48Å
1081	E	86	Confident	89.1	Confident	81 Å²	81	34.2 Å²	34.2	38%	0.379	18%	0.179	S	C	.	.	S	Bend	trans	-109	-21.8	-178.4	-57.8	-169.4	-176.7	0	0	113.9	S1079 S1096 V1097 I1098 F1145	S1079-E1081 PolarHBondContact O-N 2.89Å; S1079-E1081 VanDerWaalsContact O-N 3.1Å; S1079-E1081 PolarHBondContact OG-N 3.36Å; S1079-E1081 VanDerWaalsContact OG-N 3.14Å; E1081-S1096 CarbonylContact O-C 3.53Å; E1081-S1096 VanDerWaalsContact O-CA 3.25Å; E1081-S1096 WeakPolarHBondContact O-CA 3.29Å; E1081-V1097 PolarHBondContact O-N 2.72Å; E1081-I1098 HydrophobicContact CG-CD1 3.67Å; E1081-I1098 HydrophobicContact CG-CG1 4.26Å; E1081-F1145 HydrophobicContact CB-CZ 4.42Å; E1081-F1145 WeakPolarHBondContact OE2-CZ 3.33Å
1082	I	89.7	Confident	89.5	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123	-171.3	-57.3	-179.3	0	0	0	110.6	F1078 S1079 A1094 Y1095 I1103 F1145	F1078-I1082 HydrophobicContact CB-CG2 4.44Å; F1078-I1082 HydrophobicContact CD1-CB 4.24Å; F1078-I1082 HydrophobicContact CD1-CG2 4.27Å; F1078-I1082 PolarHBondContact N-O 3.29Å; S1079-I1082 PolarHBondContact N-O 2.8Å; S1079-I1082 VanDerWaalsContact N-O 3.08Å; S1079-I1082 PolarHBondContact O-N 3.26Å; S1079-I1082 PolarHBondContact OG-N 3.41Å; S1079-I1082 VanDerWaalsContact OG-N 3.07Å; I1082-A1094 HydrophobicContact CG2-CB 4.35Å; I1082-Y1095 WeakPolarHBondContact CA-O 3.22Å; I1082-I1103 HydrophobicContact CB-CD1 4.47Å; I1082-I1103 HydrophobicContact CD1-CD1 4.25Å; I1082-I1103 HydrophobicContact CG1-CD1 3.93Å; I1082-I1103 HydrophobicContact CG2-CD1 4.04Å; I1082-F1145 HydrophobicContact CD1-CD1 4.19Å; I1082-F1145 HydrophobicContact CD1-CD2 4.12Å; I1082-F1145 HydrophobicContact CD1-CE1 4.09Å; I1082-F1145 HydrophobicContact CD1-CE2 4.02Å; I1082-F1145 HydrophobicContact CD1-CG 4.2Å; I1082-F1145 HydrophobicContact CD1-CZ 4Å; I1082-F1145 HydrophobicContact CG1-CE1 4.13Å; I1082-F1145 HydrophobicContact CG1-CZ 4.08Å
1083	I	90.4	Very high	89.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.4	175.2	-64.5	173.6	0	0	0	109.2	Y1034 W1040 I1075 L1085 A1094 Y1095 V1097	Y1034-I1083 HydrophobicContact CD1-CD1 4.43Å; W1040-I1083 HydrophobicContact CB-CD1 4.29Å; W1040-I1083 HydrophobicContact CD2-CD1 3.44Å; W1040-I1083 VanDerWaalsContact CD2-CD1 3.44Å; W1040-I1083 HydrophobicContact CE3-CD1 3.43Å; W1040-I1083 VanDerWaalsContact CE3-CD1 3.43Å; W1040-I1083 HydrophobicContact CG-CD1 3.81Å; W1040-I1083 HydrophobicContact CZ3-CD1 4.12Å; I1075-I1083 HydrophobicContact CD1-CG2 3.75Å; I1075-I1083 HydrophobicContact CG1-CG2 3.52Å; I1083-L1085 HydrophobicContact CG2-CG 4.44Å; I1083-A1094 CarbonylContact O-C 3.6Å; I1083-A1094 WeakPolarHBondContact O-CA 3.23Å; I1083-Y1095 PolarHBondContact N-O 3.35Å; I1083-Y1095 PolarHBondContact O-N 2.91Å; I1083-V1097 HydrophobicContact CD1-CG2 3.64Å; I1083-V1097 HydrophobicContact CG1-CG2 4Å
1084	L	93.7	Very high	89.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.2	175.6	-60	175.9	0	0	0	110.1	I1075 C1076 F1078 L1092 C1093 A1094 W1104 V1128	I1075-L1084 CarbonylContact C-O 3.46Å; I1075-L1084 WeakPolarHBondContact CA-O 3.48Å; C1076-L1084 PolarHBondContact N-O 2.96Å; C1076-L1084 PolarHBondContact O-N 3.09Å; F1078-L1084 HydrophobicContact CB-CD1 3.98Å; F1078-L1084 HydrophobicContact CB-CG 4.04Å; F1078-L1084 HydrophobicContact CD2-CD1 4.26Å; F1078-L1084 HydrophobicContact CG-CD1 4.37Å; L1084-L1092 HydrophobicContact CB-CD1 4.45Å; L1084-C1093 CarbonylContact C-O 3.59Å; L1084-C1093 WeakPolarHBondContact CA-O 3.32Å; L1084-A1094 HydrophobicContact CD2-CB 3.87Å; L1084-W1104 HydrophobicContact CD2-CH2 3.83Å; L1084-W1104 HydrophobicContact CD2-CZ2 4.1Å; L1084-V1128 HydrophobicContact CD1-CB 4.47Å; L1084-V1128 HydrophobicContact CD1-CG1 3.93Å; L1084-V1128 HydrophobicContact CD1-CG2 3.69Å
1085	L	93.2	Very high	89.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.4	-174.8	-71.5	162.5	0	0	0	109.8	I1051 L1068 V1072 I1075 I1083 C1093	I1051-L1085 HydrophobicContact CD1-CD1 4.21Å; L1068-L1085 HydrophobicContact CD1-CD1 4.19Å; V1072-L1085 HydrophobicContact CG1-CD2 3.97Å; V1072-L1085 HydrophobicContact CG2-CD2 4.18Å; I1075-L1085 HydrophobicContact CB-CD2 4.18Å; I1075-L1085 HydrophobicContact CD1-CD2 3.73Å; I1075-L1085 HydrophobicContact CG1-CD2 3.69Å; I1083-L1085 HydrophobicContact CG2-CG 4.44Å; L1085-C1093 HydrophobicContact CB-CB 4.17Å; L1085-C1093 PolarHBondContact N-O 2.94Å; L1085-C1093 PolarHBondContact O-N 3.34Å
1086	G	92	Very high	89.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.4	169.5	0	0	0	0	0	110.3	S1073 C1074	S1073-G1086 PolarHBondContact N-O 3.28Å; S1073-G1086 PolarHBondContact OG-O 3.12Å; S1073-G1086 VanDerWaalsContact OG-O 3.07Å; C1074-G1086 PolarHBondContact N-O 2.92Å; C1074-G1086 PolarHBondContact O-N 3.31Å
1087	M	87.5	Confident	88.6	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.025	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148	-175.1	-57.9	-165.8	-62.8	0	0	112.5	L1068 S1089 K1090 Q1091 C1093 Q1105	L1068-M1087 HydrophobicContact CD2-SD 4Å; M1087-S1089 WeakPolarHBondContact CB-OG 3.34Å; M1087-S1089 PolarHBondContact O-N 3.12Å; M1087-K1090 PolarHBondContact O-N 3.34Å; M1087-Q1091 HydrophobicContact CE-CB 3.64Å; M1087-Q1091 PolarHBondContact N-O 3.29Å; M1087-C1093 HydrophobicContact CE-CB 4.18Å; M1087-Q1105 HydrophobicContact CE-CG 4.47Å
1088	M	84.2	Confident	88.1	Confident	97 Å²	97	33.2 Å²	33.2	48%	0.478	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.1	174.2	-65.4	-167.9	68.5	0	0	113.4	R1071 K1090 S1111	R1071-M1088 HydrophobicContact CB-CB 4.39Å; R1071-M1088 HydrophobicContact CB-CG 4.19Å; R1071-M1088 HydrophobicContact CB-SD 3.94Å; R1071-M1088 HydrophobicContact CG-CG 4.24Å; R1071-M1088 HydrophobicContact CG-SD 3.75Å; R1071-M1088 PolarHBondContact O-N 3.5Å; M1088-K1090 PolarHBondContact O-N 2.77Å; M1088-S1111 PolarHBondContact O-OG 3.21Å
1089	S	86.2	Confident	87.8	Confident	45 Å²	45	39.3 Å²	39.3	32%	0.315	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	14.7	169.7	56	0	0	0	0	114.4	S1070 M1087 Q1091	S1070-S1089 WeakPolarHBondContact CB-OG 3.45Å; S1070-S1089 WeakPolarHBondContact OG-CB 3.32Å; S1070-S1089 PolarHBondContact OG-N 3.3Å; S1070-S1089 VanDerWaalsContact OG-N 3.13Å; M1087-S1089 WeakPolarHBondContact CB-OG 3.34Å; M1087-S1089 PolarHBondContact O-N 3.12Å; S1089-Q1091 PolarHBondContact OG-OE1 3.24Å
1090	K	91.6	Very high	87.4	Confident	91 Å²	91	41 Å²	41	40%	0.396	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	44.4	-175.6	-49.1	-175.4	162.5	-127	0	113.4	M1087 M1088 I1108 H1109 D1110	M1087-K1090 PolarHBondContact O-N 3.34Å; M1088-K1090 PolarHBondContact O-N 2.77Å; K1090-I1108 WeakPolarHBondContact CB-O 3.31Å; K1090-I1108 PolarHBondContact O-N 3.13Å; K1090-H1109 PolarHBondContact NZ-O 3.25Å; K1090-D1110 WeakPolarHBondContact CE-OD1 3.31Å; K1090-D1110 IonicContact NZ-OD1 3.77Å; K1090-D1110 PolarHBondContact NZ-OD1 2.66Å
1091	Q	90.6	Very high	87.4	Confident	51 Å²	51	38.1 Å²	38.1	24%	0.238	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.5	-174.8	-74.5	167.4	-23.9	0	0	111.2	M1087 S1089 Q1105 I1106	M1087-Q1091 HydrophobicContact CE-CB 3.64Å; M1087-Q1091 PolarHBondContact N-O 3.29Å; S1089-Q1091 PolarHBondContact OG-OE1 3.24Å; Q1091-Q1105 HydrophobicContact CB-CG 4.39Å; Q1091-Q1105 VanDerWaalsContact NE2-NE2 3.11Å; Q1091-Q1105 VanDerWaalsContact OE1-NE2 3.14Å; Q1091-I1106 WeakPolarHBondContact CA-O 3.02Å
1092	L	92.6	Very high	87.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.8	166.4	-178.5	69.6	0	0	0	108.5	L1084 W1104 Q1105 I1106 I1108 I1115 I1140	L1084-L1092 HydrophobicContact CB-CD1 4.45Å; L1092-W1104 HydrophobicContact CD2-CH2 4.43Å; L1092-W1104 HydrophobicContact CD2-CZ3 4.43Å; L1092-W1104 HydrophobicContact CG-CZ3 4.32Å; L1092-Q1105 WeakPolarHBondContact O-CA 3.37Å; L1092-I1106 HydrophobicContact CB-CD1 4.33Å; L1092-I1106 HydrophobicContact CB-CG1 3.96Å; L1092-I1106 HydrophobicContact CD2-CD1 4.3Å; L1092-I1106 PolarHBondContact N-O 3.01Å; L1092-I1106 PolarHBondContact O-N 3.06Å; L1092-I1108 HydrophobicContact CB-CD1 3.52Å; L1092-I1108 HydrophobicContact CB-CG1 4.41Å; L1092-I1108 HydrophobicContact CD2-CD1 4.31Å; L1092-I1115 HydrophobicContact CD1-CD1 3.56Å; L1092-I1140 HydrophobicContact CD2-CD1 3.51Å
1093	C	91.7	Very high	87.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.1	-175.3	173.2	0	0	0	0	109.5	L1084 L1085 M1087 Q1105	L1084-C1093 CarbonylContact C-O 3.59Å; L1084-C1093 WeakPolarHBondContact CA-O 3.32Å; L1085-C1093 HydrophobicContact CB-CB 4.17Å; L1085-C1093 PolarHBondContact N-O 2.94Å; L1085-C1093 PolarHBondContact O-N 3.34Å; M1087-C1093 HydrophobicContact CE-CB 4.18Å; C1093-Q1105 HydrophobicContact CB-CG 4.46Å
1094	A	91.9	Very high	87.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.2	167.2	0	0	0	0	0	110	I1082 I1083 L1084 I1103 W1104	I1082-A1094 HydrophobicContact CG2-CB 4.35Å; I1083-A1094 CarbonylContact O-C 3.6Å; I1083-A1094 WeakPolarHBondContact O-CA 3.23Å; L1084-A1094 HydrophobicContact CD2-CB 3.87Å; A1094-I1103 HydrophobicContact CB-CB 4.21Å; A1094-I1103 HydrophobicContact CB-CD1 4.24Å; A1094-I1103 PolarHBondContact O-N 3.23Å; A1094-W1104 HydrophobicContact CB-CD2 3.55Å; A1094-W1104 HydrophobicContact CB-CE3 3.9Å; A1094-W1104 HydrophobicContact CB-CG 4.15Å; A1094-W1104 HydrophobicContact CB-CH2 3.86Å; A1094-W1104 HydrophobicContact CB-CZ2 3.5Å; A1094-W1104 VanDerWaalsContact CB-CZ2 3.5Å; A1094-W1104 HydrophobicContact CB-CZ3 4.03Å; A1094-W1104 PolarHBondContact N-O 2.93Å
1095	Y	88.3	Confident	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.2	-178.8	-163.8	-77.8	0	0	0	110	W1040 Y1066 I1082 I1083 N1100 S1101	W1040-Y1095 AromaticContact CH2-CD1 3.61Å; W1040-Y1095 HydrophobicContact CH2-CD1 3.61Å; W1040-Y1095 AromaticContact CH2-CE1 3.4Å; W1040-Y1095 HydrophobicContact CH2-CE1 3.4Å; W1040-Y1095 VanDerWaalsContact CH2-CE1 3.4Å; W1040-Y1095 AromaticContact CZ3-CD1 3.64Å; W1040-Y1095 HydrophobicContact CZ3-CD1 3.64Å; W1040-Y1095 AromaticContact CZ3-CE1 3.8Å; W1040-Y1095 HydrophobicContact CZ3-CE1 3.8Å; W1040-Y1095 HydrophobicContact CZ3-CG 4.29Å; Y1066-Y1095 AromaticContact CD1-CE2 3.68Å; Y1066-Y1095 HydrophobicContact CD1-CE2 3.68Å; Y1066-Y1095 AromaticContact CD2-CE2 3.97Å; Y1066-Y1095 HydrophobicContact CD2-CE2 3.97Å; Y1066-Y1095 HydrophobicContact CE1-CD2 4.37Å; Y1066-Y1095 AromaticContact CE1-CE2 3.82Å; Y1066-Y1095 HydrophobicContact CE1-CE2 3.82Å; Y1066-Y1095 HydrophobicContact CE2-CE2 4.09Å; Y1066-Y1095 AromaticContact CG-CE2 3.77Å; Y1066-Y1095 HydrophobicContact CG-CE2 3.77Å; I1082-Y1095 WeakPolarHBondContact CA-O 3.22Å; I1083-Y1095 PolarHBondContact N-O 3.35Å; I1083-Y1095 PolarHBondContact O-N 2.91Å; Y1095-N1100 PolarHBondContact OH-O 2.96Å; Y1095-N1100 VanDerWaalsContact OH-O 3.05Å; Y1095-N1100 PolarHBondContact OH-OD1 3.02Å; Y1095-S1101 PolarHBondContact OH-N 2.88Å
1096	S	86.9	Confident	87.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.9	176.8	-179.6	0	0	0	0	110.9	E1081 R1099 N1100 S1101	E1081-S1096 CarbonylContact O-C 3.53Å; E1081-S1096 VanDerWaalsContact O-CA 3.25Å; E1081-S1096 WeakPolarHBondContact O-CA 3.29Å; S1096-R1099 PolarHBondContact OG-N 3.14Å; S1096-N1100 PolarHBondContact O-N 3.28Å; S1096-N1100 VanDerWaalsContact O-N 3.08Å; S1096-S1101 PolarHBondContact N-O 2.97Å; S1096-S1101 PolarHBondContact O-N 3.23Å
1097	V	76.6	Confident	87.3	Confident	21 Å²	21	48 Å²	48	13%	0.127	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-52.9	176.6	-178	0	0	0	0	109.9	Y1034 W1040 E1081 I1083 R1099 N1100	Y1034-V1097 HydrophobicContact CD2-CG2 4.43Å; Y1034-V1097 HydrophobicContact CE1-CG1 4.28Å; Y1034-V1097 HydrophobicContact CE2-CG1 3.95Å; Y1034-V1097 HydrophobicContact CG-CG2 4.43Å; W1040-V1097 HydrophobicContact CZ2-CB 4.46Å; W1040-V1097 HydrophobicContact CZ2-CG1 4.14Å; W1040-V1097 HydrophobicContact CZ2-CG2 4.25Å; E1081-V1097 PolarHBondContact O-N 2.72Å; I1083-V1097 HydrophobicContact CD1-CG2 3.64Å; I1083-V1097 HydrophobicContact CG1-CG2 4Å; V1097-R1099 PolarHBondContact O-N 3.22Å; V1097-N1100 PolarHBondContact O-N 3.42Å
1098	I	79.7	Confident	87.5	Confident	123 Å²	123	48.4 Å²	48.4	63%	0.631	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-39.7	-176.7	-61	-176.1	0	0	0	112.7	E1081 N1100	E1081-I1098 HydrophobicContact CG-CD1 3.67Å; E1081-I1098 HydrophobicContact CG-CG1 4.26Å; I1098-N1100 VanDerWaalsContact C-N 3.3Å
1099	R	81.3	Confident	87.7	Confident	157 Å²	157	48.3 Å²	48.3	59%	0.592	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-8.7	-178.7	-58.2	-179.4	-175.5	176.7	3.6	113.3	S1096 V1097 S1101	S1096-R1099 PolarHBondContact OG-N 3.14Å; V1097-R1099 PolarHBondContact O-N 3.22Å; R1099-S1101 PolarHBondContact O-N 3.43Å
1100	N	78.7	Confident	88	Confident	80 Å²	80	47.5 Å²	47.5	43%	0.428	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	42.6	-170.4	-157.9	48.3	0	0	0	112.7	I1064 Y1095 S1096 V1097 I1098	I1064-N1100 WeakPolarHBondContact CG2-OD1 3.4Å; Y1095-N1100 PolarHBondContact OH-O 2.96Å; Y1095-N1100 VanDerWaalsContact OH-O 3.05Å; Y1095-N1100 PolarHBondContact OH-OD1 3.02Å; S1096-N1100 PolarHBondContact O-N 3.28Å; S1096-N1100 VanDerWaalsContact O-N 3.08Å; V1097-N1100 PolarHBondContact O-N 3.42Å; I1098-N1100 VanDerWaalsContact C-N 3.3Å
1101	S	83.4	Confident	87.9	Confident	42 Å²	42	44.1 Å²	44.1	29%	0.294	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.3	-171.8	83.2	0	0	0	0	113.1	Y1095 S1096 R1099	Y1095-S1101 PolarHBondContact OH-N 2.88Å; S1096-S1101 PolarHBondContact N-O 2.97Å; S1096-S1101 PolarHBondContact O-N 3.23Å; R1099-S1101 PolarHBondContact O-N 3.43Å
1102	K	86.9	Confident	88	Confident	84 Å²	84	41.7 Å²	41.7	37%	0.365	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	138.1	162.1	-170.8	162.6	73.7	-175.3	0	110	Q1105	K1102-Q1105 HydrophobicContact CD-CB 4.09Å
1103	I	89.5	Confident	88	Confident	38 Å²	38	43.1 Å²	43.1	20%	0.195	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-58.8	177.5	-49.3	175.5	0	0	0	108.9	I1082 A1094 F1145	I1082-I1103 HydrophobicContact CB-CD1 4.47Å; I1082-I1103 HydrophobicContact CD1-CD1 4.25Å; I1082-I1103 HydrophobicContact CG1-CD1 3.93Å; I1082-I1103 HydrophobicContact CG2-CD1 4.04Å; A1094-I1103 HydrophobicContact CB-CB 4.21Å; A1094-I1103 HydrophobicContact CB-CD1 4.24Å; A1094-I1103 PolarHBondContact O-N 3.23Å; I1103-F1145 HydrophobicContact CD1-CD1 3.98Å; I1103-F1145 HydrophobicContact CD1-CE1 4.11Å; I1103-F1145 HydrophobicContact CG2-CD1 4.23Å; I1103-F1145 WeakPolarHBondContact CG2-O 3.4Å
1104	W	91.7	Very high	88.2	Confident	14 Å²	14	43.9 Å²	43.9	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	162.8	178.3	49.9	-108	0	0	0	110.2	L1084 L1092 A1094 I1106 I1143 G1144 E1146 E1147 P1148	L1084-W1104 HydrophobicContact CD2-CH2 3.83Å; L1084-W1104 HydrophobicContact CD2-CZ2 4.1Å; L1092-W1104 HydrophobicContact CD2-CH2 4.43Å; L1092-W1104 HydrophobicContact CD2-CZ3 4.43Å; L1092-W1104 HydrophobicContact CG-CZ3 4.32Å; A1094-W1104 HydrophobicContact CB-CD2 3.55Å; A1094-W1104 HydrophobicContact CB-CE3 3.9Å; A1094-W1104 HydrophobicContact CB-CG 4.15Å; A1094-W1104 HydrophobicContact CB-CH2 3.86Å; A1094-W1104 HydrophobicContact CB-CZ2 3.5Å; A1094-W1104 VanDerWaalsContact CB-CZ2 3.5Å; A1094-W1104 HydrophobicContact CB-CZ3 4.03Å; A1094-W1104 PolarHBondContact N-O 2.93Å; W1104-I1106 HydrophobicContact CE3-CG2 4.31Å; W1104-I1106 HydrophobicContact CZ3-CD1 4.34Å; W1104-I1106 HydrophobicContact CZ3-CG1 4.13Å; W1104-I1143 HydrophobicContact CH2-CD1 3.84Å; W1104-I1143 HydrophobicContact CH2-CG1 4.17Å; W1104-I1143 HydrophobicContact CZ2-CD1 4.05Å; W1104-I1143 HydrophobicContact CZ2-CG1 3.89Å; W1104-I1143 HydrophobicContact CZ2-CG2 4.07Å; W1104-G1144 PolarHBondContact NE1-O 3.46Å; W1104-E1146 PolarHBondContact NE1-O 3.4Å; W1104-E1146 VanDerWaalsContact NE1-O 3.07Å; W1104-E1147 HydrophobicContact CB-CB 3.94Å; W1104-E1147 HydrophobicContact CB-CG 4.21Å; W1104-E1147 HydrophobicContact CG-CB 4.25Å; W1104-P1148 HydrophobicContact CH2-CG 4.23Å; W1104-P1148 HydrophobicContact CZ2-CG 4.28Å
1105	Q	90.6	Very high	88.3	Confident	53 Å²	53	44.4 Å²	44.4	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	110.1	-178.6	175.9	-177.5	-44.1	0	0	109.7	M1087 Q1091 L1092 C1093 K1102	M1087-Q1105 HydrophobicContact CE-CG 4.47Å; Q1091-Q1105 HydrophobicContact CB-CG 4.39Å; Q1091-Q1105 VanDerWaalsContact NE2-NE2 3.11Å; Q1091-Q1105 VanDerWaalsContact OE1-NE2 3.14Å; L1092-Q1105 WeakPolarHBondContact O-CA 3.37Å; C1093-Q1105 HydrophobicContact CB-CG 4.46Å; K1102-Q1105 HydrophobicContact CD-CB 4.09Å
1106	I	91.2	Very high	88.6	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.8	-178.8	58.7	171.5	0	0	0	111.1	Q1091 L1092 W1104 I1108 I1140 E1147 P1148 I1152	Q1091-I1106 WeakPolarHBondContact CA-O 3.02Å; L1092-I1106 HydrophobicContact CB-CD1 4.33Å; L1092-I1106 HydrophobicContact CB-CG1 3.96Å; L1092-I1106 HydrophobicContact CD2-CD1 4.3Å; L1092-I1106 PolarHBondContact N-O 3.01Å; L1092-I1106 PolarHBondContact O-N 3.06Å; W1104-I1106 HydrophobicContact CE3-CG2 4.31Å; W1104-I1106 HydrophobicContact CZ3-CD1 4.34Å; W1104-I1106 HydrophobicContact CZ3-CG1 4.13Å; I1106-I1108 HydrophobicContact CD1-CD1 4.35Å; I1106-I1108 HydrophobicContact CD1-CG1 4.44Å; I1106-I1108 HydrophobicContact CG1-CG1 4.42Å; I1106-I1140 HydrophobicContact CD1-CD1 3.74Å; I1106-E1147 HydrophobicContact CG2-CG 3.91Å; I1106-P1148 HydrophobicContact CD1-CG 4.38Å; I1106-I1152 HydrophobicContact CD1-CD1 3.68Å
1107	P	91.7	Very high	88.9	Confident	100 Å²	100	48.7 Å²	48.7	65%	0.649	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	148.3	166.2	32.8	-33.8	0	0	0	110.4
1108	I	91.6	Very high	89.6	Confident	12 Å²	12	48 Å²	48	6%	0.062	24%	0.244	C	C	.	.			trans	-133.5	157.5	179	-68.6	-170.2	0	0	0	108.6	K1090 L1092 I1106 D1110 V1112 L1132 V1138 Y1154	K1090-I1108 WeakPolarHBondContact CB-O 3.31Å; K1090-I1108 PolarHBondContact O-N 3.13Å; L1092-I1108 HydrophobicContact CB-CD1 3.52Å; L1092-I1108 HydrophobicContact CB-CG1 4.41Å; L1092-I1108 HydrophobicContact CD2-CD1 4.31Å; I1106-I1108 HydrophobicContact CD1-CD1 4.35Å; I1106-I1108 HydrophobicContact CD1-CG1 4.44Å; I1106-I1108 HydrophobicContact CG1-CG1 4.42Å; I1108-D1110 VanDerWaalsContact C-N 3.26Å; I1108-D1110 PolarHBondContact O-N 2.79Å; I1108-V1112 HydrophobicContact CD1-CG2 4.15Å; I1108-L1132 HydrophobicContact CG2-CD1 3.54Å; I1108-L1132 HydrophobicContact CG2-CD2 3.62Å; I1108-L1132 HydrophobicContact CG2-CG 4.24Å; I1108-V1138 HydrophobicContact CD1-CG2 4.49Å; I1108-V1138 HydrophobicContact CG2-CG2 3.92Å; I1108-Y1154 HydrophobicContact CG2-CE1 4.16Å
1109	H	88.9	Confident	90.1	Very high	96 Å²	96	47.9 Å²	47.9	44%	0.444	24%	0.237	S	C	.	.	S	Bend	trans	-54.3	-36.8	-177.2	-66.3	174.4	0	0	0	114.4	K1090 L1132 E1136 Y1154	K1090-H1109 PolarHBondContact NZ-O 3.25Å; H1109-L1132 HydrophobicContact CB-CD1 4.2Å; H1109-E1136 IonicContact CE1-OE2 3.62Å; H1109-E1136 IonicContact CG-OE2 2.74Å; H1109-E1136 IonicContact ND1-OE1 2.84Å; H1109-E1136 IonicContact ND1-OE2 3.26Å; H1109-E1136 PolarHBondContact ND1-OE2 2.91Å; H1109-Y1154 HydrophobicContact CB-CE1 4.08Å; H1109-Y1154 AromaticContact CD2-CE1 3.72Å; H1109-Y1154 AromaticContact CD2-CZ 3.7Å; H1109-Y1154 AromaticContact CE1-CD1 3.42Å; H1109-Y1154 VanDerWaalsContact CE1-CD1 3.42Å; H1109-Y1154 WeakPolarHBondContact CE1-CD1 3.18Å; H1109-Y1154 AromaticContact CE1-CD2 3.74Å; H1109-Y1154 AromaticContact CE1-CE1 3.59Å; H1109-Y1154 AromaticContact CE1-CE2 3.9Å; H1109-Y1154 AromaticContact CE1-CG 3.51Å; H1109-Y1154 AromaticContact CE1-CZ 3.82Å; H1109-Y1154 AromaticContact CG-CD1 3.87Å; H1109-Y1154 AromaticContact CG-CE1 3.47Å; H1109-Y1154 VanDerWaalsContact CG-CE1 3.47Å; H1109-Y1154 AromaticContact CG-CZ 3.96Å; H1109-Y1154 AromaticContact ND1-CD1 3.28Å; H1109-Y1154 VanDerWaalsContact ND1-CD1 3.28Å; H1109-Y1154 WeakPolarHBondContact ND1-CD1 3.32Å; H1109-Y1154 AromaticContact ND1-CE1 3.39Å; H1109-Y1154 WeakPolarHBondContact ND1-CE1 3.31Å; H1109-Y1154 AromaticContact ND1-CG 3.84Å; H1109-Y1154 AromaticContact NE2-CE1 3.81Å; H1109-Y1154 AromaticContact NE2-CE2 3.75Å; H1109-Y1154 AromaticContact NE2-CZ 3.63Å
1110	D	92.2	Very high	90.4	Very high	28 Å²	28	42 Å²	42	15%	0.15	22%	0.216	C	C	.	.	S	Bend	trans	-151.8	-179.3	-178.5	-153.8	23.4	0	0	0	113.1	K1090 I1108 V1112 L1132 T1133 N1134	K1090-D1110 WeakPolarHBondContact CE-OD1 3.31Å; K1090-D1110 IonicContact NZ-OD1 3.77Å; K1090-D1110 PolarHBondContact NZ-OD1 2.66Å; I1108-D1110 VanDerWaalsContact C-N 3.26Å; I1108-D1110 PolarHBondContact O-N 2.79Å; D1110-V1112 PolarHBondContact O-N 2.92Å; D1110-L1132 HydrophobicContact CB-CB 4.46Å; D1110-L1132 HydrophobicContact CB-CD1 4.48Å; D1110-T1133 WeakPolarHBondContact OD2-CB 3.35Å; D1110-T1133 PolarHBondContact OD2-OG1 2.84Å; D1110-N1134 HydrophobicContact CB-CB 4.04Å; D1110-N1134 PolarHBondContact OD2-N 3.33Å; D1110-N1134 VanDerWaalsContact OD2-N 3.12Å
1111	S	91.1	Very high	90.5	Very high	19 Å²	19	44.7 Å²	44.7	13%	0.133	23%	0.229	C	C	.	.			trans	-64.1	132.5	-178.9	-55.7	0	0	0	0	111.4	M1088 L1132 T1133	M1088-S1111 PolarHBondContact O-OG 3.21Å; S1111-L1132 WeakPolarHBondContact O-CA 3.18Å; S1111-T1133 WeakPolarHBondContact CB-OG1 3.26Å; S1111-T1133 PolarHBondContact N-OG1 3.3Å; S1111-T1133 PolarHBondContact O-N 2.82Å; S1111-T1133 PolarHBondContact O-OG1 3.29Å
1112	V	92.4	Very high	90.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.9	178.6	-170.8	0	0	0	0	110	S1073 I1108 D1110 I1115 A1130 G1131 L1132	S1073-V1112 WeakPolarHBondContact CB-O 3.45Å; S1073-V1112 PolarHBondContact OG-O 2.9Å; I1108-V1112 HydrophobicContact CD1-CG2 4.15Å; D1110-V1112 PolarHBondContact O-N 2.92Å; V1112-I1115 HydrophobicContact CG1-CD1 3.95Å; V1112-I1115 HydrophobicContact CG1-CG1 3.62Å; V1112-A1130 HydrophobicContact CG1-CB 3.79Å; V1112-G1131 CarbonylContact C-O 3.5Å; V1112-G1131 WeakPolarHBondContact CA-O 3.42Å; V1112-L1132 HydrophobicContact CB-CD2 4.28Å; V1112-L1132 HydrophobicContact CG1-CD2 4.47Å; V1112-L1132 HydrophobicContact CG2-CD2 3.83Å
1113	S	92.7	Very high	90	Very high	30 Å²	30	51 Å²	51	21%	0.21	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-37	-172.4	56.1	0	0	0	0	114.6	G1131 I1162	S1113-G1131 PolarHBondContact N-O 2.86Å; S1113-G1131 PolarHBondContact OG-O 3.23Å; S1113-I1162 WeakPolarHBondContact CB-O 3.49Å; S1113-I1162 PolarHBondContact OG-O 3.32Å
1114	D	94.7	Very high	89.7	Confident	17 Å²	17	56.1 Å²	56.1	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145	177.6	-154.6	17.5	0	0	0	109.4	G1131 S1164 V1165 K1206	D1114-G1131 PolarHBondContact O-N 2.68Å; D1114-S1164 WeakPolarHBondContact OD2-CA 3.5Å; D1114-S1164 VanDerWaalsContact OD2-CB 3.3Å; D1114-S1164 WeakPolarHBondContact OD2-CB 3.31Å; D1114-S1164 PolarHBondContact OD2-OG 2.65Å; D1114-V1165 PolarHBondContact OD2-N 3.48Å; D1114-K1206 IonicContact OD1-NZ 2.84Å; D1114-K1206 PolarHBondContact OD1-NZ 2.85Å; D1114-K1206 IonicContact OD2-NZ 3.82Å; D1114-K1206 PolarHBondContact OD2-NZ 3.12Å
1115	I	95.1	Very high	89.5	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.5	-176.8	-63.2	162.2	0	0	0	109.5	C1074 C1076 L1092 V1112 V1128 Y1129 A1130	C1074-I1115 VanDerWaalsContact SG-CD1 3.56Å; C1076-I1115 HydrophobicContact CB-CB 4.09Å; C1076-I1115 HydrophobicContact CB-CG2 3.74Å; L1092-I1115 HydrophobicContact CD1-CD1 3.56Å; V1112-I1115 HydrophobicContact CG1-CD1 3.95Å; V1112-I1115 HydrophobicContact CG1-CG1 3.62Å; I1115-V1128 HydrophobicContact CG2-CG1 3.86Å; I1115-Y1129 WeakPolarHBondContact CA-O 3.43Å; I1115-A1130 HydrophobicContact CG1-CB 4.18Å
1116	T	94.3	Very high	89.5	Confident	27 Å²	27	55.5 Å²	55.5	17%	0.166	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168.6	167.8	-162.5	0	0	0	0	110.6	Y1129 V1165 L1167 L1172	T1116-Y1129 HydrophobicContact CG2-CD2 4.03Å; T1116-Y1129 PolarHBondContact N-O 3.3Å; T1116-Y1129 PolarHBondContact O-N 2.9Å; T1116-V1165 HydrophobicContact CG2-CB 4.33Å; T1116-V1165 HydrophobicContact CG2-CG1 3.71Å; T1116-L1167 HydrophobicContact CG2-CB 4.44Å; T1116-L1172 HydrophobicContact CG2-CD1 3.89Å
1117	F	93.3	Very high	89.5	Confident	65 Å²	65	56.1 Å²	56.1	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.7	-179.4	73.7	-80.2	0	0	0	112.3	A1077 F1078 K1127 V1128 L1167	A1077-F1117 WeakPolarHBondContact O-CE1 3.31Å; F1078-F1117 HydrophobicContact CD2-CB 4.3Å; F1078-F1117 AromaticContact CD2-CD2 3.91Å; F1078-F1117 HydrophobicContact CD2-CD2 3.91Å; F1078-F1117 HydrophobicContact CD2-CE2 4.38Å; F1078-F1117 HydrophobicContact CD2-CG 4.06Å; F1078-F1117 HydrophobicContact CE2-CD2 4.2Å; F1117-K1127 CarbonylContact C-O 3.56Å; F1117-K1127 WeakPolarHBondContact CA-O 3.26Å; F1117-K1127 WeakPolarHBondContact CB-O 3.12Å; F1117-V1128 HydrophobicContact CB-CG2 3.99Å; F1117-L1167 WeakPolarHBondContact O-CD2 3.41Å
1118	A	91.5	Very high	89.6	Confident	6 Å²	6	51.3 Å²	51.3	5%	0.05	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.2	173.5	0	0	0	0	0	110.1	F1120 N1126 K1127 Y1129 L1167	A1118-F1120 HydrophobicContact CB-CD2 4.49Å; A1118-F1120 HydrophobicContact CB-CE1 4.25Å; A1118-F1120 HydrophobicContact CB-CE2 3.71Å; A1118-F1120 HydrophobicContact CB-CZ 3.57Å; A1118-N1126 WeakPolarHBondContact O-CA 3.43Å; A1118-K1127 PolarHBondContact N-O 2.92Å; A1118-K1127 PolarHBondContact O-N 3.17Å; A1118-Y1129 HydrophobicContact CB-CE2 3.81Å; A1118-L1167 HydrophobicContact CB-CD1 4.42Å; A1118-L1167 HydrophobicContact CB-CD2 3.71Å
1119	Y	89.4	Confident	89.8	Confident	121 Å²	121	50.8 Å²	50.8	48%	0.475	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.2	170.5	-170	-87.4	0	0	0	109.3	L1121 N1126	Y1119-L1121 HydrophobicContact CD1-CD2 4.31Å; Y1119-L1121 HydrophobicContact CD1-CG 4.15Å; Y1119-L1121 HydrophobicContact CE1-CD2 4.11Å; Y1119-L1121 HydrophobicContact CE1-CG 4.34Å; Y1119-L1121 PolarHBondContact O-N 3Å; Y1119-N1126 HydrophobicContact CD2-CB 3.88Å; Y1119-N1126 HydrophobicContact CE2-CB 4.42Å
1120	F	88.2	Confident	90.1	Very high	34 Å²	34	46.2 Å²	46.2	15%	0.149	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	86.3	-173.4	-63.4	-72.8	0	0	0	110.3	A1118 H1122 D1123 H1124 T1125 K1127 A1185 K1186	A1118-F1120 HydrophobicContact CB-CD2 4.49Å; A1118-F1120 HydrophobicContact CB-CE1 4.25Å; A1118-F1120 HydrophobicContact CB-CE2 3.71Å; A1118-F1120 HydrophobicContact CB-CZ 3.57Å; F1120-H1122 PolarHBondContact O-N 2.88Å; F1120-D1123 HydrophobicContact CB-CB 4.4Å; F1120-D1123 PolarHBondContact O-N 2.93Å; F1120-H1124 PolarHBondContact O-N 3.24Å; F1120-T1125 PolarHBondContact N-O 3.1Å; F1120-K1127 HydrophobicContact CD2-CG 4.41Å; F1120-K1127 HydrophobicContact CE2-CB 4.17Å; F1120-K1127 HydrophobicContact CE2-CD 4.02Å; F1120-K1127 HydrophobicContact CE2-CG 3.85Å; F1120-A1185 HydrophobicContact CZ-CB 4.32Å; F1120-K1186 HydrophobicContact CD1-CB 4.17Å; F1120-K1186 HydrophobicContact CD1-CD 4.23Å; F1120-K1186 HydrophobicContact CD1-CG 4.12Å; F1120-K1186 HydrophobicContact CE1-CB 3.64Å; F1120-K1186 HydrophobicContact CE1-CG 4.05Å; F1120-K1186 HydrophobicContact CG-CG 4.41Å; F1120-K1186 HydrophobicContact CZ-CB 3.86Å; F1120-K1186 HydrophobicContact CZ-CG 4.27Å
1121	L	80.7	Confident	90.2	Very high	135 Å²	135	44.9 Å²	44.9	71%	0.707	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-34	-174.8	-83.2	160.1	0	0	0	115.7	Y1119	Y1119-L1121 HydrophobicContact CD1-CD2 4.31Å; Y1119-L1121 HydrophobicContact CD1-CG 4.15Å; Y1119-L1121 HydrophobicContact CE1-CD2 4.11Å; Y1119-L1121 HydrophobicContact CE1-CG 4.34Å; Y1119-L1121 PolarHBondContact O-N 3Å
1122	H	80.3	Confident	90.4	Very high	188 Å²	188	44 Å²	44	87%	0.87	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.5	-179.9	-70.5	-62.9	0	0	0	114.5	F1120	F1120-H1122 PolarHBondContact O-N 2.88Å
1123	D	79.3	Confident	90.4	Very high	72 Å²	72	46.3 Å²	46.3	39%	0.385	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-10.2	-174.1	-61.6	69.2	0	0	0	111.7	F1120 T1125 K1186	F1120-D1123 HydrophobicContact CB-CB 4.4Å; F1120-D1123 PolarHBondContact O-N 2.93Å; D1123-T1125 HydrophobicContact CB-CG2 4.21Å; D1123-T1125 WeakPolarHBondContact CB-OG1 3.16Å; D1123-T1125 PolarHBondContact O-N 3.46Å; D1123-K1186 WeakPolarHBondContact OD1-CE 3.36Å; D1123-K1186 IonicContact OD1-NZ 2.65Å; D1123-K1186 PolarHBondContact OD1-NZ 2.79Å; D1123-K1186 VanDerWaalsContact OD2-CE 3.24Å; D1123-K1186 WeakPolarHBondContact OD2-CE 2.99Å; D1123-K1186 IonicContact OD2-NZ 2.66Å; D1123-K1186 PolarHBondContact OD2-NZ 2.72Å
1124	H	83.8	Confident	90.1	Very high	144 Å²	144	47.2 Å²	47.2	67%	0.667	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	8.1	-167.6	-59.6	-73.3	0	0	0	115.3	F1120	F1120-H1124 PolarHBondContact O-N 3.24Å
1125	T	86.4	Confident	89.9	Confident	39 Å²	39	46.4 Å²	46.4	24%	0.239	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	154.2	176.9	56.2	0	0	0	0	111.8	F1120 D1123 N1142	F1120-T1125 PolarHBondContact N-O 3.1Å; D1123-T1125 HydrophobicContact CB-CG2 4.21Å; D1123-T1125 WeakPolarHBondContact CB-OG1 3.16Å; D1123-T1125 PolarHBondContact O-N 3.46Å; T1125-N1142 VanDerWaalsContact CA-OD1 3.29Å; T1125-N1142 WeakPolarHBondContact CA-OD1 3.23Å; T1125-N1142 VanDerWaalsContact CB-OD1 3.26Å; T1125-N1142 WeakPolarHBondContact CB-OD1 3.24Å; T1125-N1142 WeakPolarHBondContact CG2-OD1 3.47Å
1126	N	90.1	Very high	89.9	Confident	15 Å²	15	47.1 Å²	47.1	8%	0.08	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	156.5	169.8	73.2	73.1	0	0	0	110.3	F1078 A1118 Y1119 N1142 I1143	F1078-N1126 HydrophobicContact CE2-CB 4.24Å; F1078-N1126 HydrophobicContact CZ-CB 4.21Å; A1118-N1126 WeakPolarHBondContact O-CA 3.43Å; Y1119-N1126 HydrophobicContact CD2-CB 3.88Å; Y1119-N1126 HydrophobicContact CE2-CB 4.42Å; N1126-N1142 PolarHBondContact N-OD1 2.63Å; N1126-N1142 PolarHBondContact O-N 3.17Å; N1126-I1143 PolarHBondContact ND2-N 3.03Å; N1126-I1143 PolarHBondContact ND2-O 3.36Å; N1126-I1143 PolarHBondContact OD1-N 2.58Å
1127	K	91.7	Very high	90	Very high	20 Å²	20	45.9 Å²	45.9	9%	0.087	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	136.5	173	-62	-165.8	-173.9	-159.3	0	110.7	F1117 A1118 F1120 Y1129 V1139 I1140 E1141 K1186	F1117-K1127 CarbonylContact C-O 3.56Å; F1117-K1127 WeakPolarHBondContact CA-O 3.26Å; F1117-K1127 WeakPolarHBondContact CB-O 3.12Å; A1118-K1127 PolarHBondContact N-O 2.92Å; A1118-K1127 PolarHBondContact O-N 3.17Å; F1120-K1127 HydrophobicContact CD2-CG 4.41Å; F1120-K1127 HydrophobicContact CE2-CB 4.17Å; F1120-K1127 HydrophobicContact CE2-CD 4.02Å; F1120-K1127 HydrophobicContact CE2-CG 3.85Å; K1127-Y1129 HydrophobicContact CB-CE1 4.1Å; K1127-Y1129 HydrophobicContact CB-CE2 4.09Å; K1127-Y1129 WeakPolarHBondContact CB-OH 3.44Å; K1127-Y1129 HydrophobicContact CD-CE1 4.4Å; K1127-V1139 HydrophobicContact CD-CG1 4.14Å; K1127-I1140 CarbonylContact C-O 3.6Å; K1127-I1140 VanDerWaalsContact CA-O 3.3Å; K1127-I1140 WeakPolarHBondContact CA-O 3.47Å; K1127-E1141 HydrophobicContact CD-CG 4.23Å; K1127-E1141 WeakPolarHBondContact CE-OE1 3.23Å; K1127-E1141 HydrophobicContact CG-CG 4.15Å; K1127-E1141 IonicContact NZ-OE1 2.68Å; K1127-E1141 PolarHBondContact NZ-OE1 3.23Å; K1127-K1186 WeakPolarHBondContact CE-O 3.42Å; K1127-K1186 PolarHBondContact NZ-O 3.21Å
1128	V	94.1	Very high	90	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138	170	176.8	0	0	0	0	108.6	F1078 L1084 I1115 F1117 V1139 I1140 I1143	F1078-V1128 HydrophobicContact CD2-CG2 4.08Å; F1078-V1128 HydrophobicContact CE2-CG2 4.15Å; L1084-V1128 HydrophobicContact CD1-CB 4.47Å; L1084-V1128 HydrophobicContact CD1-CG1 3.93Å; L1084-V1128 HydrophobicContact CD1-CG2 3.69Å; I1115-V1128 HydrophobicContact CG2-CG1 3.86Å; F1117-V1128 HydrophobicContact CB-CG2 3.99Å; V1128-V1139 WeakPolarHBondContact O-CA 3.23Å; V1128-I1140 HydrophobicContact CB-CB 4.49Å; V1128-I1140 PolarHBondContact N-O 2.91Å; V1128-I1140 PolarHBondContact O-N 3.46Å; V1128-I1143 HydrophobicContact CB-CD1 3.91Å; V1128-I1143 HydrophobicContact CG2-CB 4.33Å; V1128-I1143 HydrophobicContact CG2-CD1 3.58Å; V1128-I1143 HydrophobicContact CG2-CG1 4.5Å; V1128-I1143 HydrophobicContact CG2-CG2 4.46Å
1129	Y	95.8	Very high	90.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.5	178.6	-44.3	-87.4	0	0	0	108.4	I1115 T1116 A1118 K1127 V1138 V1139 L1172 A1185 M1188	I1115-Y1129 WeakPolarHBondContact CA-O 3.43Å; T1116-Y1129 HydrophobicContact CG2-CD2 4.03Å; T1116-Y1129 PolarHBondContact N-O 3.3Å; T1116-Y1129 PolarHBondContact O-N 2.9Å; A1118-Y1129 HydrophobicContact CB-CE2 3.81Å; K1127-Y1129 HydrophobicContact CB-CE1 4.1Å; K1127-Y1129 HydrophobicContact CB-CE2 4.09Å; K1127-Y1129 WeakPolarHBondContact CB-OH 3.44Å; K1127-Y1129 HydrophobicContact CD-CE1 4.4Å; Y1129-V1138 WeakPolarHBondContact CA-O 3.11Å; Y1129-V1139 HydrophobicContact CD1-CG1 4.05Å; Y1129-V1139 HydrophobicContact CD1-CG2 4.08Å; Y1129-V1139 HydrophobicContact CE1-CG1 3.94Å; Y1129-L1172 HydrophobicContact CD1-CD1 4.24Å; Y1129-L1172 HydrophobicContact CD1-CD2 3.49Å; Y1129-L1172 VanDerWaalsContact CD1-CD2 3.49Å; Y1129-L1172 HydrophobicContact CD2-CD1 3.7Å; Y1129-L1172 HydrophobicContact CD2-CD2 4.46Å; Y1129-L1172 HydrophobicContact CE1-CD2 4.05Å; Y1129-L1172 HydrophobicContact CE2-CD1 4.16Å; Y1129-L1172 HydrophobicContact CG-CD1 3.75Å; Y1129-L1172 HydrophobicContact CG-CD2 3.73Å; Y1129-L1172 HydrophobicContact CG-CG 4.41Å; Y1129-A1185 PolarHBondContact OH-O 3.36Å; Y1129-M1188 HydrophobicContact CD1-SD 4.23Å; Y1129-M1188 HydrophobicContact CE1-SD 3.68Å
1130	A	95.2	Very high	90.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.7	-176.6	0	0	0	0	0	109.5	V1112 I1115 V1138	V1112-A1130 HydrophobicContact CG1-CB 3.79Å; I1115-A1130 HydrophobicContact CG1-CB 4.18Å; A1130-V1138 HydrophobicContact CB-CB 4.26Å; A1130-V1138 PolarHBondContact N-O 3.39Å; A1130-V1138 PolarHBondContact O-N 3.29Å
1131	G	94.6	Very high	90.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	141.1	175.5	0	0	0	0	0	111	V1112 S1113 D1114	V1112-G1131 CarbonylContact C-O 3.5Å; V1112-G1131 WeakPolarHBondContact CA-O 3.42Å; S1113-G1131 PolarHBondContact N-O 2.86Å; S1113-G1131 PolarHBondContact OG-O 3.23Å; D1114-G1131 PolarHBondContact O-N 2.68Å
1132	L	95.2	Very high	90.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	157.5	-179	-55.5	-168.1	0	0	0	113.3	I1108 H1109 D1110 S1111 V1112 N1134 G1135 E1136 V1138 Y1154 I1162	I1108-L1132 HydrophobicContact CG2-CD1 3.54Å; I1108-L1132 HydrophobicContact CG2-CD2 3.62Å; I1108-L1132 HydrophobicContact CG2-CG 4.24Å; H1109-L1132 HydrophobicContact CB-CD1 4.2Å; D1110-L1132 HydrophobicContact CB-CB 4.46Å; D1110-L1132 HydrophobicContact CB-CD1 4.48Å; S1111-L1132 WeakPolarHBondContact O-CA 3.18Å; V1112-L1132 HydrophobicContact CB-CD2 4.28Å; V1112-L1132 HydrophobicContact CG1-CD2 4.47Å; V1112-L1132 HydrophobicContact CG2-CD2 3.83Å; L1132-N1134 WeakPolarHBondContact CB-OD1 3.41Å; L1132-N1134 PolarHBondContact O-N 3.44Å; L1132-G1135 PolarHBondContact O-N 2.99Å; L1132-E1136 VanDerWaalsContact CB-O 3.32Å; L1132-E1136 WeakPolarHBondContact CB-O 3.33Å; L1132-E1136 HydrophobicContact CD1-CB 4.22Å; L1132-E1136 WeakPolarHBondContact CG-O 3.45Å; L1132-E1136 PolarHBondContact N-O 3.45Å; L1132-V1138 HydrophobicContact CD1-CG2 3.67Å; L1132-V1138 HydrophobicContact CD2-CG2 3.84Å; L1132-V1138 HydrophobicContact CG-CG2 3.78Å; L1132-Y1154 HydrophobicContact CD1-CE1 4.28Å; L1132-I1162 PolarHBondContact O-N 2.91Å
1133	T	91.7	Very high	90.9	Very high	49 Å²	49	26.5 Å²	26.5	30%	0.301	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12	176.9	45.7	0	0	0	0	115.1	D1110 S1111 P1161	D1110-T1133 WeakPolarHBondContact OD2-CB 3.35Å; D1110-T1133 PolarHBondContact OD2-OG1 2.84Å; S1111-T1133 WeakPolarHBondContact CB-OG1 3.26Å; S1111-T1133 PolarHBondContact N-OG1 3.3Å; S1111-T1133 PolarHBondContact O-N 2.82Å; S1111-T1133 PolarHBondContact O-OG1 3.29Å; T1133-P1161 WeakPolarHBondContact O-CA 3.5Å; T1133-P1161 VanDerWaalsContact O-CG 3.26Å; T1133-P1161 WeakPolarHBondContact O-CG 3.4Å
1134	N	87.2	Confident	91.1	Very high	49 Å²	49	24.1 Å²	24.1	26%	0.262	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-10	174.2	65.8	-6.3	0	0	0	113.9	D1110 L1132 E1136 F1159	D1110-N1134 HydrophobicContact CB-CB 4.04Å; D1110-N1134 PolarHBondContact OD2-N 3.33Å; D1110-N1134 VanDerWaalsContact OD2-N 3.12Å; L1132-N1134 WeakPolarHBondContact CB-OD1 3.41Å; L1132-N1134 PolarHBondContact O-N 3.44Å; N1134-E1136 VanDerWaalsContact ND2-CD 3.26Å; N1134-E1136 PolarHBondContact ND2-OE2 2.84Å; N1134-E1136 WeakPolarHBondContact OD1-CB 3.46Å; N1134-E1136 PolarHBondContact OD1-N 3.46Å; N1134-F1159 CarbonylContact O-C 3.57Å; N1134-F1159 WeakPolarHBondContact O-CA 3.39Å
1135	G	89.8	Confident	91.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	98.2	4.8	-175.6	0	0	0	0	0	115.2	L1132 I1157 S1158 I1160	L1132-G1135 PolarHBondContact O-N 2.99Å; G1135-I1157 PolarHBondContact O-N 2.82Å; G1135-S1158 CarbonylContact C-O 3.42Å; G1135-S1158 WeakPolarHBondContact CA-O 3.27Å; G1135-S1158 PolarHBondContact O-N 2.66Å; G1135-I1160 VanDerWaalsContact CA-O 3.28Å; G1135-I1160 WeakPolarHBondContact CA-O 3.33Å
1136	E	95	Very high	90.9	Very high	26 Å²	26	27.5 Å²	27.5	12%	0.121	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	147.3	172.1	-59.9	178.6	146.5	0	0	111.9	H1109 L1132 N1134 T1156 I1162	H1109-E1136 IonicContact CE1-OE2 3.62Å; H1109-E1136 IonicContact CG-OE2 2.74Å; H1109-E1136 IonicContact ND1-OE1 2.84Å; H1109-E1136 IonicContact ND1-OE2 3.26Å; H1109-E1136 PolarHBondContact ND1-OE2 2.91Å; L1132-E1136 VanDerWaalsContact CB-O 3.32Å; L1132-E1136 WeakPolarHBondContact CB-O 3.33Å; L1132-E1136 HydrophobicContact CD1-CB 4.22Å; L1132-E1136 WeakPolarHBondContact CG-O 3.45Å; L1132-E1136 PolarHBondContact N-O 3.45Å; N1134-E1136 VanDerWaalsContact ND2-CD 3.26Å; N1134-E1136 PolarHBondContact ND2-OE2 2.84Å; N1134-E1136 WeakPolarHBondContact OD1-CB 3.46Å; N1134-E1136 PolarHBondContact OD1-N 3.46Å; E1136-T1156 HydrophobicContact CG-CG2 4.29Å; E1136-T1156 PolarHBondContact OE1-OG1 3.06Å; E1136-I1162 VanDerWaalsContact O-CD1 3.27Å; E1136-I1162 WeakPolarHBondContact O-CD1 3.41Å
1137	L	95.7	Very high	90.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123	166.7	179.4	76.3	0	0	0	108.8	V1139 I1155 I1157 I1162 V1165 L1172 M1188	L1137-V1139 HydrophobicContact CD2-CG2 4.26Å; L1137-I1155 PolarHBondContact N-O 3.41Å; L1137-I1155 PolarHBondContact O-N 2.96Å; L1137-I1157 HydrophobicContact CB-CD1 3.6Å; L1137-I1157 HydrophobicContact CB-CG1 4.16Å; L1137-I1157 HydrophobicContact CD2-CD1 4.11Å; L1137-I1157 HydrophobicContact CG-CD1 4.38Å; L1137-I1162 HydrophobicContact CB-CD1 4.03Å; L1137-V1165 HydrophobicContact CD1-CG1 4.38Å; L1137-V1165 HydrophobicContact CD1-CG2 4.14Å; L1137-L1172 HydrophobicContact CD2-CD2 3.65Å; L1137-M1188 HydrophobicContact CD2-CE 3.66Å
1138	V	94.7	Very high	90	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.9	169.5	-165.7	0	0	0	0	109	I1108 Y1129 A1130 L1132 I1140 I1152 Y1153 Y1154	I1108-V1138 HydrophobicContact CD1-CG2 4.49Å; I1108-V1138 HydrophobicContact CG2-CG2 3.92Å; Y1129-V1138 WeakPolarHBondContact CA-O 3.11Å; A1130-V1138 HydrophobicContact CB-CB 4.26Å; A1130-V1138 PolarHBondContact N-O 3.39Å; A1130-V1138 PolarHBondContact O-N 3.29Å; L1132-V1138 HydrophobicContact CD1-CG2 3.67Å; L1132-V1138 HydrophobicContact CD2-CG2 3.84Å; L1132-V1138 HydrophobicContact CG-CG2 3.78Å; V1138-I1140 HydrophobicContact CG1-CD1 4.3Å; V1138-I1140 HydrophobicContact CG1-CG1 3.85Å; V1138-I1152 HydrophobicContact CG1-CG2 3.56Å; V1138-Y1153 CarbonylContact C-O 3.6Å; V1138-Y1153 WeakPolarHBondContact CA-O 3.3Å; V1138-Y1154 HydrophobicContact CG1-CE1 4.28Å; V1138-Y1154 HydrophobicContact CG2-CD1 3.86Å; V1138-Y1154 HydrophobicContact CG2-CE1 3.6Å
1139	V	94.4	Very high	88.6	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125	168.9	-171.6	0	0	0	0	107.8	K1127 V1128 Y1129 L1137 Y1153 I1155 M1188	K1127-V1139 HydrophobicContact CD-CG1 4.14Å; V1128-V1139 WeakPolarHBondContact O-CA 3.23Å; Y1129-V1139 HydrophobicContact CD1-CG1 4.05Å; Y1129-V1139 HydrophobicContact CD1-CG2 4.08Å; Y1129-V1139 HydrophobicContact CE1-CG1 3.94Å; L1137-V1139 HydrophobicContact CD2-CG2 4.26Å; V1139-Y1153 PolarHBondContact N-O 3.33Å; V1139-Y1153 PolarHBondContact O-N 3.01Å; V1139-I1155 HydrophobicContact CG2-CD1 3.95Å; V1139-M1188 HydrophobicContact CG2-CE 3.99Å; V1139-M1188 HydrophobicContact CG2-CG 4.34Å; V1139-M1188 HydrophobicContact CG2-SD 4.25Å
1140	I	92.8	Very high	87.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.1	178	-46.1	179.2	0	0	0	109	L1092 I1106 K1127 V1128 V1138 I1143 P1148 S1151 I1152	L1092-I1140 HydrophobicContact CD2-CD1 3.51Å; I1106-I1140 HydrophobicContact CD1-CD1 3.74Å; K1127-I1140 CarbonylContact C-O 3.6Å; K1127-I1140 VanDerWaalsContact CA-O 3.3Å; K1127-I1140 WeakPolarHBondContact CA-O 3.47Å; V1128-I1140 HydrophobicContact CB-CB 4.49Å; V1128-I1140 PolarHBondContact N-O 2.91Å; V1128-I1140 PolarHBondContact O-N 3.46Å; V1138-I1140 HydrophobicContact CG1-CD1 4.3Å; V1138-I1140 HydrophobicContact CG1-CG1 3.85Å; I1140-I1143 HydrophobicContact CB-CD1 3.82Å; I1140-I1143 HydrophobicContact CB-CG1 4.48Å; I1140-I1143 HydrophobicContact CD1-CD1 4.15Å; I1140-I1143 HydrophobicContact CG2-CD1 3.63Å; I1140-I1143 HydrophobicContact CG2-CG1 3.83Å; I1140-P1148 HydrophobicContact CG2-CB 3.57Å; I1140-P1148 HydrophobicContact CG2-CG 3.75Å; I1140-S1151 WeakPolarHBondContact CA-O 3.41Å; I1140-I1152 HydrophobicContact CD1-CG1 4.48Å; I1140-I1152 HydrophobicContact CG1-CG1 4.22Å; I1140-I1152 HydrophobicContact CG1-CG2 4.37Å; I1140-I1152 HydrophobicContact CG2-CG1 4.04Å
1141	E	89.7	Confident	86.7	Confident	48 Å²	48	47.7 Å²	47.7	22%	0.224	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	143.1	-177.8	-53.5	-167.3	146.5	0	0	112.2	K1127 I1143 S1151 Y1153	K1127-E1141 HydrophobicContact CD-CG 4.23Å; K1127-E1141 WeakPolarHBondContact CE-OE1 3.23Å; K1127-E1141 HydrophobicContact CG-CG 4.15Å; K1127-E1141 IonicContact NZ-OE1 2.68Å; K1127-E1141 PolarHBondContact NZ-OE1 3.23Å; E1141-I1143 PolarHBondContact O-N 3.38Å; E1141-S1151 PolarHBondContact N-O 2.91Å; E1141-S1151 VanDerWaalsContact O-CB 3.29Å; E1141-S1151 WeakPolarHBondContact O-CB 3.33Å; E1141-Y1153 HydrophobicContact CG-CD2 4.34Å; E1141-Y1153 HydrophobicContact CG-CE2 3.88Å
1142	N	85.5	Confident	86.5	Confident	86 Å²	86	49.7 Å²	49.7	46%	0.46	25%	0.248	S	C	.	.	S	Bend	trans	57.4	45.8	171.5	-56.4	-40.8	0	0	0	115.1	T1125 N1126	T1125-N1142 VanDerWaalsContact CA-OD1 3.29Å; T1125-N1142 WeakPolarHBondContact CA-OD1 3.23Å; T1125-N1142 VanDerWaalsContact CB-OD1 3.26Å; T1125-N1142 WeakPolarHBondContact CB-OD1 3.24Å; T1125-N1142 WeakPolarHBondContact CG2-OD1 3.47Å; N1126-N1142 PolarHBondContact N-OD1 2.63Å; N1126-N1142 PolarHBondContact O-N 3.17Å
1143	I	85.5	Confident	86.2	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	27%	0.27	C	S	.	.			trans	-63.7	146.3	172.3	-91.3	169.2	0	0	0	111.8	F1078 W1104 N1126 V1128 I1140 E1141 P1148	F1078-I1143 HydrophobicContact CD1-CG2 4.19Å; F1078-I1143 HydrophobicContact CD2-CG2 4.16Å; F1078-I1143 HydrophobicContact CE1-CG2 3.91Å; F1078-I1143 HydrophobicContact CE2-CB 4.36Å; F1078-I1143 HydrophobicContact CE2-CG2 3.87Å; F1078-I1143 HydrophobicContact CG-CG2 4.31Å; F1078-I1143 HydrophobicContact CZ-CB 4.28Å; F1078-I1143 HydrophobicContact CZ-CG2 3.75Å; F1078-I1143 WeakPolarHBondContact CZ-O 3.38Å; W1104-I1143 HydrophobicContact CH2-CD1 3.84Å; W1104-I1143 HydrophobicContact CH2-CG1 4.17Å; W1104-I1143 HydrophobicContact CZ2-CD1 4.05Å; W1104-I1143 HydrophobicContact CZ2-CG1 3.89Å; W1104-I1143 HydrophobicContact CZ2-CG2 4.07Å; N1126-I1143 PolarHBondContact ND2-N 3.03Å; N1126-I1143 PolarHBondContact ND2-O 3.36Å; N1126-I1143 PolarHBondContact OD1-N 2.58Å; V1128-I1143 HydrophobicContact CB-CD1 3.91Å; V1128-I1143 HydrophobicContact CG2-CB 4.33Å; V1128-I1143 HydrophobicContact CG2-CD1 3.58Å; V1128-I1143 HydrophobicContact CG2-CG1 4.5Å; V1128-I1143 HydrophobicContact CG2-CG2 4.46Å; I1140-I1143 HydrophobicContact CB-CD1 3.82Å; I1140-I1143 HydrophobicContact CB-CG1 4.48Å; I1140-I1143 HydrophobicContact CD1-CD1 4.15Å; I1140-I1143 HydrophobicContact CG2-CD1 3.63Å; I1140-I1143 HydrophobicContact CG2-CG1 3.83Å; E1141-I1143 PolarHBondContact O-N 3.38Å; I1143-P1148 HydrophobicContact CD1-CG 4.46Å; I1143-P1148 HydrophobicContact CG1-CB 4.29Å; I1143-P1148 HydrophobicContact CG1-CG 4.02Å
1144	G	83.7	Confident	86.2	Confident	22 Å²	22	56.5 Å²	56.5	23%	0.227	27%	0.269	C	S	.	.	S	Bend	trans	-169.5	-143.9	175.4	0	0	0	0	0	111.1	W1104 E1146	W1104-G1144 PolarHBondContact NE1-O 3.46Å; G1144-E1146 VanDerWaalsContact C-N 3.26Å; G1144-E1146 PolarHBondContact O-N 2.92Å
1145	F	84	Confident	86.3	Confident	85 Å²	85	56.4 Å²	56.4	37%	0.373	27%	0.268	S	S	.	.	S	Bend	trans	-73	-14.4	176	-76.6	-74.6	0	0	0	114.5	E1081 I1082 I1103	E1081-F1145 HydrophobicContact CB-CZ 4.42Å; E1081-F1145 WeakPolarHBondContact OE2-CZ 3.33Å; I1082-F1145 HydrophobicContact CD1-CD1 4.19Å; I1082-F1145 HydrophobicContact CD1-CD2 4.12Å; I1082-F1145 HydrophobicContact CD1-CE1 4.09Å; I1082-F1145 HydrophobicContact CD1-CE2 4.02Å; I1082-F1145 HydrophobicContact CD1-CG 4.2Å; I1082-F1145 HydrophobicContact CD1-CZ 4Å; I1082-F1145 HydrophobicContact CG1-CE1 4.13Å; I1082-F1145 HydrophobicContact CG1-CZ 4.08Å; I1103-F1145 HydrophobicContact CD1-CD1 3.98Å; I1103-F1145 HydrophobicContact CD1-CE1 4.11Å; I1103-F1145 HydrophobicContact CG2-CD1 4.23Å; I1103-F1145 WeakPolarHBondContact CG2-O 3.4Å
1146	E	82.1	Confident	86.4	Confident	169 Å²	169	58.4 Å²	58.4	79%	0.79	28%	0.281	S	S	*	.	S	Bend	trans	-97.5	152.1	178	-63	-173.1	171.3	0	0	111.3	W1104 G1144	W1104-E1146 PolarHBondContact NE1-O 3.4Å; W1104-E1146 VanDerWaalsContact NE1-O 3.07Å; G1144-E1146 VanDerWaalsContact C-N 3.26Å; G1144-E1146 PolarHBondContact O-N 2.92Å
1147	E	82.6	Confident	85.9	Confident	70 Å²	70	58.2 Å²	58.2	33%	0.327	28%	0.28	S	S	.	.			trans	-72.9	123.2	-179.3	-179	178.9	-136.2	0	0	110.6	W1104 I1106 R1149	W1104-E1147 HydrophobicContact CB-CB 3.94Å; W1104-E1147 HydrophobicContact CB-CG 4.21Å; W1104-E1147 HydrophobicContact CG-CB 4.25Å; I1106-E1147 HydrophobicContact CG2-CG 3.91Å; E1147-R1149 HydrophobicContact CG-CG 4.12Å; E1147-R1149 PolarHBondContact O-N 3.05Å; E1147-R1149 IonicContact OE2-CZ 3.18Å; E1147-R1149 IonicContact OE2-NE 2.63Å; E1147-R1149 PolarHBondContact OE2-NE 2.59Å; E1147-R1149 IonicContact OE2-NH2 3.71Å; E1147-R1149 PolarHBondContact OE2-NH2 2.9Å
1148	P	81	Confident	85.3	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.058	29%	0.287	C	S	.	.			trans	-76.8	89.1	-178	31.1	-34.9	0	0	0	110.7	W1104 I1106 I1140 I1143 I1152	W1104-P1148 HydrophobicContact CH2-CG 4.23Å; W1104-P1148 HydrophobicContact CZ2-CG 4.28Å; I1106-P1148 HydrophobicContact CD1-CG 4.38Å; I1140-P1148 HydrophobicContact CG2-CB 3.57Å; I1140-P1148 HydrophobicContact CG2-CG 3.75Å; I1143-P1148 HydrophobicContact CD1-CG 4.46Å; I1143-P1148 HydrophobicContact CG1-CB 4.29Å; I1143-P1148 HydrophobicContact CG1-CG 4.02Å; P1148-I1152 WeakPolarHBondContact O-CD1 3.49Å; P1148-I1152 WeakPolarHBondContact O-CG1 3.49Å
1149	R	64.8	Low	84.7	Confident	186 Å²	186	64 Å²	64	70%	0.702	31%	0.309	S	S	*	.	S	Bend	trans	-80.6	-49.2	-175	-68.9	-178.6	177.3	174.4	0.9	114.1	E1147	E1147-R1149 HydrophobicContact CG-CG 4.12Å; E1147-R1149 PolarHBondContact O-N 3.05Å; E1147-R1149 IonicContact OE2-CZ 3.18Å; E1147-R1149 IonicContact OE2-NE 2.63Å; E1147-R1149 PolarHBondContact OE2-NE 2.59Å; E1147-R1149 IonicContact OE2-NH2 3.71Å; E1147-R1149 PolarHBondContact OE2-NH2 2.9Å
1150	D	69.7	Low	84.2	Confident	158 Å²	158	67.6 Å²	67.6	85%	0.845	33%	0.327	S	S	*	.	S	Bend	trans	-104.6	6.4	-171.7	-55.2	-48.4	0	0	0	113.4
1151	S	81.3	Confident	84.1	Confident	36 Å²	36	70.6 Å²	70.6	25%	0.252	35%	0.346	S	S	.	.			trans	-113	20.4	-168	-47.5	0	0	0	0	114.2	I1140 E1141	I1140-S1151 WeakPolarHBondContact CA-O 3.41Å; E1141-S1151 PolarHBondContact N-O 2.91Å; E1141-S1151 VanDerWaalsContact O-CB 3.29Å; E1141-S1151 WeakPolarHBondContact O-CB 3.33Å
1152	I	89.5	Confident	84.3	Confident	43 Å²	43	68.3 Å²	68.3	22%	0.221	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.9	-175.4	-56.6	168.3	0	0	0	110.1	I1106 V1138 I1140 P1148 Y1154	I1106-I1152 HydrophobicContact CD1-CD1 3.68Å; V1138-I1152 HydrophobicContact CG1-CG2 3.56Å; I1140-I1152 HydrophobicContact CD1-CG1 4.48Å; I1140-I1152 HydrophobicContact CG1-CG1 4.22Å; I1140-I1152 HydrophobicContact CG1-CG2 4.37Å; I1140-I1152 HydrophobicContact CG2-CG1 4.04Å; P1148-I1152 WeakPolarHBondContact O-CD1 3.49Å; P1148-I1152 WeakPolarHBondContact O-CG1 3.49Å; I1152-Y1154 HydrophobicContact CG2-CD2 4.28Å; I1152-Y1154 HydrophobicContact CG2-CE2 3.6Å
1153	Y	89.7	Confident	84.7	Confident	119 Å²	119	65.5 Å²	65.5	47%	0.467	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.4	177.1	-52.5	-86.8	0	0	0	110.9	V1138 V1139 E1141	V1138-Y1153 CarbonylContact C-O 3.6Å; V1138-Y1153 WeakPolarHBondContact CA-O 3.3Å; V1139-Y1153 PolarHBondContact N-O 3.33Å; V1139-Y1153 PolarHBondContact O-N 3.01Å; E1141-Y1153 HydrophobicContact CG-CD2 4.34Å; E1141-Y1153 HydrophobicContact CG-CE2 3.88Å
1154	Y	91.7	Very high	85.2	Confident	72 Å²	72	65.3 Å²	65.3	28%	0.282	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.3	177.3	-68.1	-96.5	0	0	0	109.8	I1108 H1109 L1132 V1138 I1152	I1108-Y1154 HydrophobicContact CG2-CE1 4.16Å; H1109-Y1154 HydrophobicContact CB-CE1 4.08Å; H1109-Y1154 AromaticContact CD2-CE1 3.72Å; H1109-Y1154 AromaticContact CD2-CZ 3.7Å; H1109-Y1154 AromaticContact CE1-CD1 3.42Å; H1109-Y1154 VanDerWaalsContact CE1-CD1 3.42Å; H1109-Y1154 WeakPolarHBondContact CE1-CD1 3.18Å; H1109-Y1154 AromaticContact CE1-CD2 3.74Å; H1109-Y1154 AromaticContact CE1-CE1 3.59Å; H1109-Y1154 AromaticContact CE1-CE2 3.9Å; H1109-Y1154 AromaticContact CE1-CG 3.51Å; H1109-Y1154 AromaticContact CE1-CZ 3.82Å; H1109-Y1154 AromaticContact CG-CD1 3.87Å; H1109-Y1154 AromaticContact CG-CE1 3.47Å; H1109-Y1154 VanDerWaalsContact CG-CE1 3.47Å; H1109-Y1154 AromaticContact CG-CZ 3.96Å; H1109-Y1154 AromaticContact ND1-CD1 3.28Å; H1109-Y1154 VanDerWaalsContact ND1-CD1 3.28Å; H1109-Y1154 WeakPolarHBondContact ND1-CD1 3.32Å; H1109-Y1154 AromaticContact ND1-CE1 3.39Å; H1109-Y1154 WeakPolarHBondContact ND1-CE1 3.31Å; H1109-Y1154 AromaticContact ND1-CG 3.84Å; H1109-Y1154 AromaticContact NE2-CE1 3.81Å; H1109-Y1154 AromaticContact NE2-CE2 3.75Å; H1109-Y1154 AromaticContact NE2-CZ 3.63Å; L1132-Y1154 HydrophobicContact CD1-CE1 4.28Å; V1138-Y1154 HydrophobicContact CG1-CE1 4.28Å; V1138-Y1154 HydrophobicContact CG2-CD1 3.86Å; V1138-Y1154 HydrophobicContact CG2-CE1 3.6Å; I1152-Y1154 HydrophobicContact CG2-CD2 4.28Å; I1152-Y1154 HydrophobicContact CG2-CE2 3.6Å
1155	I	89.5	Confident	85.7	Confident	47 Å²	47	64.5 Å²	64.5	24%	0.241	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.5	178.5	-59.5	176.3	0	0	0	107.7	L1137 V1139 I1157 M1188	L1137-I1155 PolarHBondContact N-O 3.41Å; L1137-I1155 PolarHBondContact O-N 2.96Å; V1139-I1155 HydrophobicContact CG2-CD1 3.95Å; I1155-I1157 HydrophobicContact CG2-CG1 4.36Å; I1155-I1157 PolarHBondContact O-N 2.88Å; I1155-M1188 HydrophobicContact CD1-CB 3.98Å; I1155-M1188 HydrophobicContact CD1-CE 3.77Å; I1155-M1188 HydrophobicContact CD1-CG 4.08Å
1156	T	90.6	Very high	86.3	Confident	42 Å²	42	61.6 Å²	61.6	26%	0.258	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	111.9	178.4	-55.1	0	0	0	0	109.6	H609 E1136	H609-T1156 PolarHBondContact CE1-OG1 3.19Å; E1136-T1156 HydrophobicContact CG-CG2 4.29Å; E1136-T1156 PolarHBondContact OE1-OG1 3.06Å
1157	I	86	Confident	86.9	Confident	22 Å²	22	55.6 Å²	55.6	11%	0.113	27%	0.274	C	S	.	.			trans	-93.3	-38.9	-179	-60.5	-176.3	0	0	0	110.2	G1135 L1137 I1155 I1162 C1174 F1181 F1183	G1135-I1157 PolarHBondContact O-N 2.82Å; L1137-I1157 HydrophobicContact CB-CD1 3.6Å; L1137-I1157 HydrophobicContact CB-CG1 4.16Å; L1137-I1157 HydrophobicContact CD2-CD1 4.11Å; L1137-I1157 HydrophobicContact CG-CD1 4.38Å; I1155-I1157 HydrophobicContact CG2-CG1 4.36Å; I1155-I1157 PolarHBondContact O-N 2.88Å; I1157-I1162 HydrophobicContact CD1-CD1 3.95Å; I1157-C1174 HydrophobicContact CD1-CB 3.66Å; I1157-F1181 HydrophobicContact CG2-CB 3.66Å; I1157-F1181 HydrophobicContact CG2-CD1 3.81Å; I1157-F1181 HydrophobicContact CG2-CD2 3.24Å; I1157-F1181 HydrophobicContact CG2-CE1 4.24Å; I1157-F1181 HydrophobicContact CG2-CE2 3.75Å; I1157-F1181 HydrophobicContact CG2-CG 3.28Å; I1157-F1181 HydrophobicContact CG2-CZ 4.21Å; I1157-F1183 HydrophobicContact CD1-CE2 3.61Å; I1157-F1183 HydrophobicContact CD1-CZ 3.87Å; I1157-F1183 HydrophobicContact CG1-CE2 4.22Å; I1157-F1183 HydrophobicContact CG1-CZ 3.95Å
1158	S	83.4	Confident	87.2	Confident	22 Å²	22	52.4 Å²	52.4	15%	0.154	26%	0.259	C	S	.	.			trans	-158.9	-167.5	178.1	80.2	0	0	0	0	111.6	G1135 I1160 S1176	G1135-S1158 CarbonylContact C-O 3.42Å; G1135-S1158 WeakPolarHBondContact CA-O 3.27Å; G1135-S1158 PolarHBondContact O-N 2.66Å; S1158-I1160 PolarHBondContact OG-N 3.02Å; S1158-I1160 PolarHBondContact OG-O 2.94Å; S1158-S1176 WeakPolarHBondContact CB-OG 3.26Å; S1158-S1176 PolarHBondContact OG-OG 2.91Å
1159	F	81.9	Confident	87.5	Confident	101 Å²	101	58.6 Å²	58.6	44%	0.443	29%	0.285	S	S	.	.	S	Bend	trans	-107.5	9.8	166.6	-59.4	-80	0	0	0	113	P608 H610 N1134	P608-F1159 WeakPolarHBondContact O-CE2 3.39Å; P608-F1159 WeakPolarHBondContact O-CZ 3.48Å; H610-F1159 HydrophobicContact CB-CZ 3.81Å; H610-F1159 AromaticContact CD2-CE2 3.35Å; H610-F1159 WeakPolarHBondContact CD2-CE2 3.17Å; H610-F1159 AromaticContact CD2-CZ 3.33Å; H610-F1159 WeakPolarHBondContact CD2-CZ 3.29Å; H610-F1159 AromaticContact CE1-CE2 3.63Å; H610-F1159 AromaticContact CG-CE2 3.64Å; H610-F1159 AromaticContact CG-CZ 3.39Å; H610-F1159 AromaticContact ND1-CE2 3.8Å; H610-F1159 AromaticContact ND1-CZ 3.94Å; H610-F1159 AromaticContact NE2-CD2 3.9Å; H610-F1159 AromaticContact NE2-CE2 3.4Å; H610-F1159 WeakPolarHBondContact NE2-CE2 3.24Å; H610-F1159 AromaticContact NE2-CZ 3.91Å; N1134-F1159 CarbonylContact O-C 3.57Å; N1134-F1159 WeakPolarHBondContact O-CA 3.39Å
1160	I	83.5	Confident	88.7	Confident	78 Å²	78	52.8 Å²	52.8	40%	0.4	27%	0.273	S	S	.	.	S	Bend	trans	-110.8	134.7	-175	-55.5	177.5	0	0	0	106.7	G1135 S1158 I1162	G1135-I1160 VanDerWaalsContact CA-O 3.28Å; G1135-I1160 WeakPolarHBondContact CA-O 3.33Å; S1158-I1160 PolarHBondContact OG-N 3.02Å; S1158-I1160 PolarHBondContact OG-O 2.94Å; I1160-I1162 PolarHBondContact O-N 3.34Å; I1160-I1162 VanDerWaalsContact O-N 3.14Å
1161	P	89.5	Confident	89.8	Confident	62 Å²	62	46.3 Å²	46.3	40%	0.403	24%	0.237	S	C	.	.			trans	-42.8	124	178.1	-28.6	28.4	0	0	0	112.3	T1133 S1163	T1133-P1161 WeakPolarHBondContact O-CA 3.5Å; T1133-P1161 VanDerWaalsContact O-CG 3.26Å; T1133-P1161 WeakPolarHBondContact O-CG 3.4Å; P1161-S1163 PolarHBondContact O-N 3.13Å; P1161-S1163 VanDerWaalsContact O-N 3.17Å
1162	I	94.7	Very high	90.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	120.6	165.9	-61	-171.7	0	0	0	105.5	S1113 L1132 E1136 L1137 I1157 I1160 V1165 A1175	S1113-I1162 WeakPolarHBondContact CB-O 3.49Å; S1113-I1162 PolarHBondContact OG-O 3.32Å; L1132-I1162 PolarHBondContact O-N 2.91Å; E1136-I1162 VanDerWaalsContact O-CD1 3.27Å; E1136-I1162 WeakPolarHBondContact O-CD1 3.41Å; L1137-I1162 HydrophobicContact CB-CD1 4.03Å; I1157-I1162 HydrophobicContact CD1-CD1 3.95Å; I1160-I1162 PolarHBondContact O-N 3.34Å; I1160-I1162 VanDerWaalsContact O-N 3.14Å; I1162-V1165 HydrophobicContact CG2-CG2 3.67Å; I1162-A1175 CarbonylContact C-O 3.57Å; I1162-A1175 VanDerWaalsContact CA-O 3.24Å; I1162-A1175 WeakPolarHBondContact CA-O 3.47Å; I1162-A1175 WeakPolarHBondContact CG2-O 3.28Å
1163	S	93.7	Very high	90.8	Very high	28 Å²	28	42.5 Å²	42.5	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-23.9	-174.5	62.8	0	0	0	0	112.8	P1161 A1175 I1204	P1161-S1163 PolarHBondContact O-N 3.13Å; P1161-S1163 VanDerWaalsContact O-N 3.17Å; S1163-A1175 PolarHBondContact N-O 3.06Å; S1163-I1204 WeakPolarHBondContact CB-O 3.46Å; S1163-I1204 PolarHBondContact OG-O 3.13Å
1164	S	95.2	Very high	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	149.5	171.7	-175.2	0	0	0	0	112.8	D1114 A1175 K1206 I1207	D1114-S1164 WeakPolarHBondContact OD2-CA 3.5Å; D1114-S1164 VanDerWaalsContact OD2-CB 3.3Å; D1114-S1164 WeakPolarHBondContact OD2-CB 3.31Å; D1114-S1164 PolarHBondContact OD2-OG 2.65Å; S1164-A1175 PolarHBondContact O-N 3.44Å; S1164-K1206 WeakPolarHBondContact OG-CD 3.48Å; S1164-K1206 WeakPolarHBondContact OG-CE 3.18Å; S1164-I1207 WeakPolarHBondContact OG-CG1 3.42Å
1165	V	95.9	Very high	91.4	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130	175.6	-171.8	0	0	0	0	109.5	D1114 T1116 L1137 I1162 L1172 W1173	D1114-V1165 PolarHBondContact OD2-N 3.48Å; T1116-V1165 HydrophobicContact CG2-CB 4.33Å; T1116-V1165 HydrophobicContact CG2-CG1 3.71Å; L1137-V1165 HydrophobicContact CD1-CG1 4.38Å; L1137-V1165 HydrophobicContact CD1-CG2 4.14Å; I1162-V1165 HydrophobicContact CG2-CG2 3.67Å; V1165-L1172 HydrophobicContact CG1-CD1 3.77Å; V1165-L1172 HydrophobicContact CG1-CD2 4.41Å; V1165-L1172 HydrophobicContact CG1-CG 4.09Å; V1165-W1173 CarbonylContact C-O 3.49Å; V1165-W1173 WeakPolarHBondContact CA-O 3.5Å
1166	L	95.6	Very high	91.6	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.12	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.5	-177.4	173.3	68.9	0	0	0	110.6	W1173 I1207 L1209 V1214	L1166-W1173 HydrophobicContact CB-CB 4.35Å; L1166-W1173 PolarHBondContact N-O 3.46Å; L1166-W1173 PolarHBondContact O-N 3.05Å; L1166-I1207 HydrophobicContact CB-CB 4.44Å; L1166-I1207 HydrophobicContact CB-CD1 3.7Å; L1166-I1207 HydrophobicContact CB-CG1 3.83Å; L1166-I1207 HydrophobicContact CD2-CB 4.18Å; L1166-I1207 HydrophobicContact CD2-CG1 4.47Å; L1166-L1209 HydrophobicContact CD1-CB 4.1Å; L1166-L1209 HydrophobicContact CD2-CB 4.21Å; L1166-V1214 HydrophobicContact CD2-CG1 3.9Å; L1166-V1214 HydrophobicContact CD2-CG2 4.28Å
1167	L	94.3	Very high	91.6	Very high	44 Å²	44	29.4 Å²	29.4	23%	0.23	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.2	165.6	-174.4	70.4	0	0	0	109.7	T1116 F1117 A1118 L1172 A1185	T1116-L1167 HydrophobicContact CG2-CB 4.44Å; F1117-L1167 WeakPolarHBondContact O-CD2 3.41Å; A1118-L1167 HydrophobicContact CB-CD1 4.42Å; A1118-L1167 HydrophobicContact CB-CD2 3.71Å; L1167-L1172 HydrophobicContact CD1-CD1 4.35Å; L1167-A1185 HydrophobicContact CD1-CB 3.52Å
1168	A	90.5	Very high	91.9	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	104.6	179	0	0	0	0	0	110.5	S1170 Q1171 L1209	A1168-S1170 PolarHBondContact O-N 3.08Å; A1168-S1170 VanDerWaalsContact O-N 3.13Å; A1168-Q1171 PolarHBondContact N-O 3.4Å; A1168-Q1171 WeakPolarHBondContact O-CB 3.17Å; A1168-Q1171 PolarHBondContact O-N 3.05Å; A1168-L1209 HydrophobicContact CB-CD1 4.34Å; A1168-L1209 HydrophobicContact CB-CD2 4.34Å
1169	K	86.2	Confident	92.4	Very high	140 Å²	140	28.9 Å²	28.9	61%	0.609	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	-111.7	-169.7	-50.8	178.1	-170.4	176.8	0	110.4	D1230	K1169-D1230 IonicContact NZ-OD1 2.58Å; K1169-D1230 PolarHBondContact NZ-OD1 3.46Å; K1169-D1230 IonicContact NZ-OD2 3.1Å; K1169-D1230 PolarHBondContact NZ-OD2 2.92Å
1170	S	89.5	Confident	93	Very high	63 Å²	63	24.1 Å²	24.1	44%	0.441	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.7	174.4	57.7	0	0	0	0	113.8	A1168 H1184 A1185	A1168-S1170 PolarHBondContact O-N 3.08Å; A1168-S1170 VanDerWaalsContact O-N 3.13Å; S1170-H1184 PolarHBondContact O-CD2 2.87Å; S1170-H1184 VanDerWaalsContact O-CD2 3.23Å; S1170-A1185 WeakPolarHBondContact O-CB 3.3Å; S1170-A1185 PolarHBondContact O-N 3.38Å
1171	Q	93.2	Very high	93.6	Very high	22 Å²	22	21.6 Å²	21.6	10%	0.103	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.8	178.6	-58.9	175.6	13	0	0	110.8	A1168 I1182 F1183 P1229	A1168-Q1171 PolarHBondContact N-O 3.4Å; A1168-Q1171 WeakPolarHBondContact O-CB 3.17Å; A1168-Q1171 PolarHBondContact O-N 3.05Å; Q1171-I1182 HydrophobicContact CB-CG2 3.98Å; Q1171-I1182 HydrophobicContact CG-CG2 4.28Å; Q1171-F1183 CarbonylContact C-O 3.5Å; Q1171-F1183 WeakPolarHBondContact CA-O 3.27Å; Q1171-P1229 PolarHBondContact NE2-O 2.78Å; Q1171-P1229 PolarHBondContact OE1-O 3.2Å
1172	L	96	Very high	93.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.8	167.3	-170.6	77.9	0	0	0	108.8	T1116 Y1129 L1137 V1165 L1167 I1182 F1183 A1185 M1188	T1116-L1172 HydrophobicContact CG2-CD1 3.89Å; Y1129-L1172 HydrophobicContact CD1-CD1 4.24Å; Y1129-L1172 HydrophobicContact CD1-CD2 3.49Å; Y1129-L1172 VanDerWaalsContact CD1-CD2 3.49Å; Y1129-L1172 HydrophobicContact CD2-CD1 3.7Å; Y1129-L1172 HydrophobicContact CD2-CD2 4.46Å; Y1129-L1172 HydrophobicContact CE1-CD2 4.05Å; Y1129-L1172 HydrophobicContact CE2-CD1 4.16Å; Y1129-L1172 HydrophobicContact CG-CD1 3.75Å; Y1129-L1172 HydrophobicContact CG-CD2 3.73Å; Y1129-L1172 HydrophobicContact CG-CG 4.41Å; L1137-L1172 HydrophobicContact CD2-CD2 3.65Å; V1165-L1172 HydrophobicContact CG1-CD1 3.77Å; V1165-L1172 HydrophobicContact CG1-CD2 4.41Å; V1165-L1172 HydrophobicContact CG1-CG 4.09Å; L1167-L1172 HydrophobicContact CD1-CD1 4.35Å; L1172-I1182 WeakPolarHBondContact O-CA 3.31Å; L1172-F1183 PolarHBondContact N-O 3.15Å; L1172-F1183 PolarHBondContact O-N 3.36Å; L1172-A1185 HydrophobicContact CB-CB 4.26Å; L1172-M1188 HydrophobicContact CD2-CE 3.88Å; L1172-M1188 HydrophobicContact CD2-SD 4.44Å
1173	W	96.9	Very high	93.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.2	179.7	-70.6	44.8	0	0	0	109.1	V1165 L1166 I1180 I1182 I1194 I1207 V1214 P1229 L1232	V1165-W1173 CarbonylContact C-O 3.49Å; V1165-W1173 WeakPolarHBondContact CA-O 3.5Å; L1166-W1173 HydrophobicContact CB-CB 4.35Å; L1166-W1173 PolarHBondContact N-O 3.46Å; L1166-W1173 PolarHBondContact O-N 3.05Å; W1173-I1180 HydrophobicContact CB-CG2 4.01Å; W1173-I1180 HydrophobicContact CD2-CG2 4.27Å; W1173-I1180 HydrophobicContact CE3-CD1 3.96Å; W1173-I1180 HydrophobicContact CE3-CG2 3.87Å; W1173-I1180 HydrophobicContact CG-CG2 4.38Å; W1173-I1180 HydrophobicContact CZ3-CD1 4.26Å; W1173-I1182 HydrophobicContact CD2-CD1 3.83Å; W1173-I1182 HydrophobicContact CD2-CG1 3.94Å; W1173-I1182 HydrophobicContact CE3-CD1 4.22Å; W1173-I1182 HydrophobicContact CG-CD1 4.36Å; W1173-I1182 HydrophobicContact CG-CG1 3.98Å; W1173-I1182 HydrophobicContact CH2-CD1 4.05Å; W1173-I1182 HydrophobicContact CZ2-CD1 3.66Å; W1173-I1182 HydrophobicContact CZ3-CD1 4.31Å; W1173-I1194 HydrophobicContact CH2-CD1 4.16Å; W1173-I1194 HydrophobicContact CZ3-CD1 4.27Å; W1173-I1207 HydrophobicContact CB-CD1 3.77Å; W1173-I1207 WeakPolarHBondContact O-CD1 3.47Å; W1173-V1214 HydrophobicContact CE3-CG1 3.97Å; W1173-V1214 HydrophobicContact CE3-CG2 4.43Å; W1173-V1214 HydrophobicContact CH2-CB 4.22Å; W1173-V1214 HydrophobicContact CH2-CG1 4.49Å; W1173-V1214 HydrophobicContact CH2-CG2 4.08Å; W1173-V1214 HydrophobicContact CZ2-CG2 4.15Å; W1173-V1214 HydrophobicContact CZ3-CB 4.08Å; W1173-V1214 HydrophobicContact CZ3-CG1 3.87Å; W1173-V1214 HydrophobicContact CZ3-CG2 4.21Å; W1173-P1229 HydrophobicContact CZ2-CB 4.22Å; W1173-L1232 HydrophobicContact CH2-CD2 3.74Å; W1173-L1232 HydrophobicContact CZ2-CD2 3.32Å
1174	C	96.8	Very high	93.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	110.3	-179.5	-60.1	0	0	0	0	109.8	I1157 I1180 F1181	I1157-C1174 HydrophobicContact CD1-CB 3.66Å; C1174-I1180 CarbonylContact O-C 3.57Å; C1174-I1180 WeakPolarHBondContact O-CA 3.47Å; C1174-F1181 PolarHBondContact N-O 3.12Å; C1174-F1181 PolarHBondContact O-N 2.93Å
1175	A	96.4	Very high	93.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.3	177.7	0	0	0	0	0	111.1	I1162 S1163 S1164 I1180 I1204 I1207	I1162-A1175 CarbonylContact C-O 3.57Å; I1162-A1175 VanDerWaalsContact CA-O 3.24Å; I1162-A1175 WeakPolarHBondContact CA-O 3.47Å; I1162-A1175 WeakPolarHBondContact CG2-O 3.28Å; S1163-A1175 PolarHBondContact N-O 3.06Å; S1164-A1175 PolarHBondContact O-N 3.44Å; A1175-I1180 HydrophobicContact CB-CG1 4.13Å; A1175-I1204 HydrophobicContact CB-CB 3.97Å; A1175-I1204 HydrophobicContact CB-CD1 3.86Å; A1175-I1204 HydrophobicContact CB-CG2 3.7Å; A1175-I1207 HydrophobicContact CB-CD1 4.17Å
1176	S	94.1	Very high	93.3	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.028	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	116.9	176.9	121.7	0	0	0	0	109.3	S1158 S1178 S1179	S1158-S1176 WeakPolarHBondContact CB-OG 3.26Å; S1158-S1176 PolarHBondContact OG-OG 2.91Å; S1176-S1178 PolarHBondContact O-N 3.25Å; S1176-S1179 PolarHBondContact N-O 3.35Å; S1176-S1179 PolarHBondContact O-N 3.42Å; S1176-S1179 VanDerWaalsContact O-N 3.17Å; S1176-S1179 VanDerWaalsContact O-O 3.11Å
1177	G	91.3	Very high	93	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-127.7	-172.5	0	0	0	0	0	111.6	D1202 I1204	G1177-D1202 CarbonylContact C-O 3.5Å; G1177-I1204 WeakPolarHBondContact O-CD1 3.37Å; G1177-I1204 VanDerWaalsContact O-CG1 3.31Å; G1177-I1204 WeakPolarHBondContact O-CG1 3.47Å; G1177-I1204 PolarHBondContact O-N 3.33Å
1178	S	90.9	Very high	92.8	Very high	18 Å²	18	26.5 Å²	26.5	13%	0.126	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.8	178.1	62.5	0	0	0	0	114.3	S1176 I1196 N1199 D1202	S1176-S1178 PolarHBondContact O-N 3.25Å; S1178-I1196 PolarHBondContact O-N 3.32Å; S1178-N1199 WeakPolarHBondContact CB-O 3.48Å; S1178-D1202 VanDerWaalsContact CA-O 3.31Å; S1178-D1202 WeakPolarHBondContact CA-O 3.23Å; S1178-D1202 WeakPolarHBondContact CB-O 3.33Å; S1178-D1202 PolarHBondContact N-O 2.92Å
1179	S	94.1	Very high	92.6	Very high	15 Å²	15	31.3 Å²	31.3	11%	0.105	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151.2	-176.2	-71.9	0	0	0	0	113.3	S1176 Q1193 I1194 I1204	S1176-S1179 PolarHBondContact N-O 3.35Å; S1176-S1179 PolarHBondContact O-N 3.42Å; S1176-S1179 VanDerWaalsContact O-N 3.17Å; S1176-S1179 VanDerWaalsContact O-O 3.11Å; S1179-Q1193 PolarHBondContact OG-NE2 3.13Å; S1179-I1194 CarbonylContact C-O 3.57Å; S1179-I1194 VanDerWaalsContact CA-O 3.29Å; S1179-I1194 WeakPolarHBondContact CA-O 3.48Å; S1179-I1204 WeakPolarHBondContact O-CD1 3.28Å
1180	I	95.3	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.8	164.9	-61.4	174.9	0	0	0	108.5	W1173 C1174 A1175 I1182 Q1193 I1194 I1196 I1204 I1207 I1216	W1173-I1180 HydrophobicContact CB-CG2 4.01Å; W1173-I1180 HydrophobicContact CD2-CG2 4.27Å; W1173-I1180 HydrophobicContact CE3-CD1 3.96Å; W1173-I1180 HydrophobicContact CE3-CG2 3.87Å; W1173-I1180 HydrophobicContact CG-CG2 4.38Å; W1173-I1180 HydrophobicContact CZ3-CD1 4.26Å; C1174-I1180 CarbonylContact O-C 3.57Å; C1174-I1180 WeakPolarHBondContact O-CA 3.47Å; A1175-I1180 HydrophobicContact CB-CG1 4.13Å; I1180-I1182 HydrophobicContact CG2-CG1 3.97Å; I1180-Q1193 CarbonylContact O-C 3.6Å; I1180-Q1193 VanDerWaalsContact O-CA 3.28Å; I1180-Q1193 WeakPolarHBondContact O-CA 3.44Å; I1180-I1194 PolarHBondContact N-O 2.77Å; I1180-I1194 PolarHBondContact O-N 2.95Å; I1180-I1196 HydrophobicContact CD1-CD1 3.63Å; I1180-I1196 HydrophobicContact CG1-CD1 3.97Å; I1180-I1204 HydrophobicContact CD1-CD1 4.39Å; I1180-I1204 HydrophobicContact CG1-CD1 3.7Å; I1180-I1207 HydrophobicContact CD1-CG2 3.7Å; I1180-I1216 HydrophobicContact CD1-CD1 3.83Å
1181	F	95.6	Very high	92.6	Very high	26 Å²	26	34.7 Å²	34.7	11%	0.114	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.3	172.1	-58.4	-99.9	0	0	0	108.2	I1157 C1174 F1183 Y1190 Q1193	I1157-F1181 HydrophobicContact CG2-CB 3.66Å; I1157-F1181 HydrophobicContact CG2-CD1 3.81Å; I1157-F1181 HydrophobicContact CG2-CD2 3.24Å; I1157-F1181 HydrophobicContact CG2-CE1 4.24Å; I1157-F1181 HydrophobicContact CG2-CE2 3.75Å; I1157-F1181 HydrophobicContact CG2-CG 3.28Å; I1157-F1181 HydrophobicContact CG2-CZ 4.21Å; C1174-F1181 PolarHBondContact N-O 3.12Å; C1174-F1181 PolarHBondContact O-N 2.93Å; F1181-F1183 HydrophobicContact CB-CE2 3.7Å; F1181-F1183 HydrophobicContact CB-CZ 4.1Å; F1181-Y1190 HydrophobicContact CD1-CE2 4.42Å; F1181-Q1193 HydrophobicContact CD1-CB 4.18Å; F1181-Q1193 HydrophobicContact CD1-CG 3.95Å; F1181-Q1193 HydrophobicContact CE1-CB 4.35Å; F1181-Q1193 VanDerWaalsContact CE1-CD 3.4Å; F1181-Q1193 HydrophobicContact CE1-CG 3.79Å; F1181-Q1193 HydrophobicContact CG-CG 4.47Å; F1181-Q1193 HydrophobicContact CZ-CG 4.18Å
1182	I	94.9	Very high	92.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.2	-173.8	-58	172.7	0	0	0	109.1	Q1171 L1172 W1173 I1180 Y1191 K1192 I1194 L1232	Q1171-I1182 HydrophobicContact CB-CG2 3.98Å; Q1171-I1182 HydrophobicContact CG-CG2 4.28Å; L1172-I1182 WeakPolarHBondContact O-CA 3.31Å; W1173-I1182 HydrophobicContact CD2-CD1 3.83Å; W1173-I1182 HydrophobicContact CD2-CG1 3.94Å; W1173-I1182 HydrophobicContact CE3-CD1 4.22Å; W1173-I1182 HydrophobicContact CG-CD1 4.36Å; W1173-I1182 HydrophobicContact CG-CG1 3.98Å; W1173-I1182 HydrophobicContact CH2-CD1 4.05Å; W1173-I1182 HydrophobicContact CZ2-CD1 3.66Å; W1173-I1182 HydrophobicContact CZ3-CD1 4.31Å; I1180-I1182 HydrophobicContact CG2-CG1 3.97Å; I1182-Y1191 HydrophobicContact CG2-CD1 4.26Å; I1182-Y1191 WeakPolarHBondContact O-CA 3.49Å; I1182-Y1191 WeakPolarHBondContact O-CB 3.37Å; I1182-Y1191 PolarHBondContact O-N 3.45Å; I1182-K1192 WeakPolarHBondContact CB-O 3.22Å; I1182-K1192 PolarHBondContact N-O 3.23Å; I1182-K1192 PolarHBondContact O-N 3.01Å; I1182-I1194 HydrophobicContact CD1-CD1 3.64Å; I1182-I1194 HydrophobicContact CD1-CG1 4.19Å; I1182-L1232 HydrophobicContact CD1-CD1 3.79Å; I1182-L1232 HydrophobicContact CD1-CD2 3.69Å; I1182-L1232 HydrophobicContact CD1-CG 4.38Å
1183	F	95.1	Very high	92.2	Very high	14 Å²	14	41.2 Å²	41.2	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	158.1	179.2	-54.5	-96.8	0	0	0	110.3	I1157 Q1171 L1172 F1181 M1188 D1189 Y1190	I1157-F1183 HydrophobicContact CD1-CE2 3.61Å; I1157-F1183 HydrophobicContact CD1-CZ 3.87Å; I1157-F1183 HydrophobicContact CG1-CE2 4.22Å; I1157-F1183 HydrophobicContact CG1-CZ 3.95Å; Q1171-F1183 CarbonylContact C-O 3.5Å; Q1171-F1183 WeakPolarHBondContact CA-O 3.27Å; L1172-F1183 PolarHBondContact N-O 3.15Å; L1172-F1183 PolarHBondContact O-N 3.36Å; F1181-F1183 HydrophobicContact CB-CE2 3.7Å; F1181-F1183 HydrophobicContact CB-CZ 4.1Å; F1183-M1188 HydrophobicContact CB-CE 4.13Å; F1183-M1188 HydrophobicContact CG-CE 4.22Å; F1183-D1189 CarbonylContact C-O 3.54Å; F1183-D1189 WeakPolarHBondContact CA-O 3.45Å; F1183-Y1190 HydrophobicContact CD1-CD2 4.41Å; F1183-Y1190 AromaticContact CE1-CD2 3.97Å; F1183-Y1190 HydrophobicContact CE1-CD2 3.97Å; F1183-Y1190 HydrophobicContact CZ-CD2 4.25Å
1184	H	93	Very high	91.9	Very high	68 Å²	68	41.6 Å²	41.6	32%	0.315	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.3	166.1	-178.9	-118.4	0	0	0	109.6	S1170 K1186 T1187 M1188 D1189	S1170-H1184 PolarHBondContact O-CD2 2.87Å; S1170-H1184 VanDerWaalsContact O-CD2 3.23Å; H1184-K1186 VanDerWaalsContact C-N 3.33Å; H1184-K1186 PolarHBondContact O-N 3.47Å; H1184-T1187 PolarHBondContact ND1-OG1 2.98Å; H1184-T1187 PolarHBondContact O-N 3.19Å; H1184-M1188 VanDerWaalsContact O-CA 3.26Å; H1184-M1188 WeakPolarHBondContact O-CA 3.25Å; H1184-M1188 PolarHBondContact O-N 3.05Å; H1184-D1189 HydrophobicContact CB-CB 4.32Å; H1184-D1189 PolarHBondContact N-O 3.04Å
1185	A	92	Very high	91.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.7	-165.5	0	0	0	0	0	114	F1120 Y1129 L1167 S1170 L1172	F1120-A1185 HydrophobicContact CZ-CB 4.32Å; Y1129-A1185 PolarHBondContact OH-O 3.36Å; L1167-A1185 HydrophobicContact CD1-CB 3.52Å; S1170-A1185 WeakPolarHBondContact O-CB 3.3Å; S1170-A1185 PolarHBondContact O-N 3.38Å; L1172-A1185 HydrophobicContact CB-CB 4.26Å
1186	K	88.1	Confident	91.3	Very high	77 Å²	77	45.4 Å²	45.4	34%	0.335	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.5	-177.2	-170.1	178.1	172.3	-177.9	0	112.9	F1120 D1123 K1127 H1184	F1120-K1186 HydrophobicContact CD1-CB 4.17Å; F1120-K1186 HydrophobicContact CD1-CD 4.23Å; F1120-K1186 HydrophobicContact CD1-CG 4.12Å; F1120-K1186 HydrophobicContact CE1-CB 3.64Å; F1120-K1186 HydrophobicContact CE1-CG 4.05Å; F1120-K1186 HydrophobicContact CG-CG 4.41Å; F1120-K1186 HydrophobicContact CZ-CB 3.86Å; F1120-K1186 HydrophobicContact CZ-CG 4.27Å; D1123-K1186 WeakPolarHBondContact OD1-CE 3.36Å; D1123-K1186 IonicContact OD1-NZ 2.65Å; D1123-K1186 PolarHBondContact OD1-NZ 2.79Å; D1123-K1186 VanDerWaalsContact OD2-CE 3.24Å; D1123-K1186 WeakPolarHBondContact OD2-CE 2.99Å; D1123-K1186 IonicContact OD2-NZ 2.66Å; D1123-K1186 PolarHBondContact OD2-NZ 2.72Å; K1127-K1186 WeakPolarHBondContact CE-O 3.42Å; K1127-K1186 PolarHBondContact NZ-O 3.21Å; H1184-K1186 VanDerWaalsContact C-N 3.33Å; H1184-K1186 PolarHBondContact O-N 3.47Å
1187	T	88.9	Confident	90.8	Very high	75 Å²	75	46 Å²	46	46%	0.46	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-13.5	-171.2	50.3	0	0	0	0	113.7	H1184 D1189	H1184-T1187 PolarHBondContact ND1-OG1 2.98Å; H1184-T1187 PolarHBondContact O-N 3.19Å; T1187-D1189 WeakPolarHBondContact CB-OD2 3.37Å; T1187-D1189 PolarHBondContact O-N 3.4Å; T1187-D1189 VanDerWaalsContact OG1-CG 3.31Å; T1187-D1189 PolarHBondContact OG1-OD2 3.21Å
1188	M	90.7	Very high	90.1	Very high	31 Å²	31	54 Å²	54	15%	0.153	27%	0.267	C	S	.	.			trans	61.4	18.3	-170.9	-58.8	-53	-62.4	0	0	115.3	Y1129 L1137 V1139 I1155 L1172 F1183 H1184 Y1190	Y1129-M1188 HydrophobicContact CD1-SD 4.23Å; Y1129-M1188 HydrophobicContact CE1-SD 3.68Å; L1137-M1188 HydrophobicContact CD2-CE 3.66Å; V1139-M1188 HydrophobicContact CG2-CE 3.99Å; V1139-M1188 HydrophobicContact CG2-CG 4.34Å; V1139-M1188 HydrophobicContact CG2-SD 4.25Å; I1155-M1188 HydrophobicContact CD1-CB 3.98Å; I1155-M1188 HydrophobicContact CD1-CE 3.77Å; I1155-M1188 HydrophobicContact CD1-CG 4.08Å; L1172-M1188 HydrophobicContact CD2-CE 3.88Å; L1172-M1188 HydrophobicContact CD2-SD 4.44Å; F1183-M1188 HydrophobicContact CB-CE 4.13Å; F1183-M1188 HydrophobicContact CG-CE 4.22Å; H1184-M1188 VanDerWaalsContact O-CA 3.26Å; H1184-M1188 WeakPolarHBondContact O-CA 3.25Å; H1184-M1188 PolarHBondContact O-N 3.05Å; M1188-Y1190 PolarHBondContact O-N 3.04Å
1189	D	86.4	Confident	89.4	Confident	102 Å²	102	55.1 Å²	55.1	55%	0.545	27%	0.271	S	S	.	.			trans	-59.9	127.1	172.2	-62.4	-52.6	0	0	0	110.6	F1183 H1184 T1187	F1183-D1189 CarbonylContact C-O 3.54Å; F1183-D1189 WeakPolarHBondContact CA-O 3.45Å; H1184-D1189 HydrophobicContact CB-CB 4.32Å; H1184-D1189 PolarHBondContact N-O 3.04Å; T1187-D1189 WeakPolarHBondContact CB-OD2 3.37Å; T1187-D1189 PolarHBondContact O-N 3.4Å; T1187-D1189 VanDerWaalsContact OG1-CG 3.31Å; T1187-D1189 PolarHBondContact OG1-OD2 3.21Å
1190	Y	90.2	Very high	88.3	Confident	133 Å²	133	58.8 Å²	58.8	52%	0.522	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.9	175	169.5	-97.8	0	0	0	111.3	F1181 F1183 M1188 Q1193	F1181-Y1190 HydrophobicContact CD1-CE2 4.42Å; F1183-Y1190 HydrophobicContact CD1-CD2 4.41Å; F1183-Y1190 AromaticContact CE1-CD2 3.97Å; F1183-Y1190 HydrophobicContact CE1-CD2 3.97Å; F1183-Y1190 HydrophobicContact CZ-CD2 4.25Å; M1188-Y1190 PolarHBondContact O-N 3.04Å; Y1190-Q1193 WeakPolarHBondContact OH-CB 3.37Å; Y1190-Q1193 PolarHBondContact OH-N 2.69Å
1191	Y	84.9	Confident	87.4	Confident	142 Å²	142	64.5 Å²	64.5	56%	0.557	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	-52.9	-175.2	-167.9	-108.1	0	0	0	112.9	I1182 L1232	I1182-Y1191 HydrophobicContact CG2-CD1 4.26Å; I1182-Y1191 WeakPolarHBondContact O-CA 3.49Å; I1182-Y1191 WeakPolarHBondContact O-CB 3.37Å; I1182-Y1191 PolarHBondContact O-N 3.45Å; Y1191-L1232 HydrophobicContact CD1-CD1 3.72Å; Y1191-L1232 HydrophobicContact CE1-CD1 3.58Å
1192	K	88.6	Confident	86.9	Confident	85 Å²	85	64.9 Å²	64.9	37%	0.37	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	152.2	-177.5	-156	-177.5	178.9	-176.6	0	112.6	I1182 L1232	I1182-K1192 WeakPolarHBondContact CB-O 3.22Å; I1182-K1192 PolarHBondContact N-O 3.23Å; I1182-K1192 PolarHBondContact O-N 3.01Å; K1192-L1232 HydrophobicContact CB-CD1 3.88Å; K1192-L1232 HydrophobicContact CD-CB 4.05Å; K1192-L1232 HydrophobicContact CD-CD1 3.5Å; K1192-L1232 VanDerWaalsContact CD-CD1 3.5Å; K1192-L1232 HydrophobicContact CD-CG 4.43Å; K1192-L1232 HydrophobicContact CG-CD1 4.33Å; K1192-L1232 PolarHBondContact NZ-O 3.17Å
1193	Q	91.6	Very high	86.6	Confident	74 Å²	74	67.4 Å²	67.4	35%	0.346	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.5	161.6	-175.2	-177.2	-7.4	0	0	110	S1179 I1180 F1181 Y1190	S1179-Q1193 PolarHBondContact OG-NE2 3.13Å; I1180-Q1193 CarbonylContact O-C 3.6Å; I1180-Q1193 VanDerWaalsContact O-CA 3.28Å; I1180-Q1193 WeakPolarHBondContact O-CA 3.44Å; F1181-Q1193 HydrophobicContact CD1-CB 4.18Å; F1181-Q1193 HydrophobicContact CD1-CG 3.95Å; F1181-Q1193 HydrophobicContact CE1-CB 4.35Å; F1181-Q1193 VanDerWaalsContact CE1-CD 3.4Å; F1181-Q1193 HydrophobicContact CE1-CG 3.79Å; F1181-Q1193 HydrophobicContact CG-CG 4.47Å; F1181-Q1193 HydrophobicContact CZ-CG 4.18Å; Y1190-Q1193 WeakPolarHBondContact OH-CB 3.37Å; Y1190-Q1193 PolarHBondContact OH-N 2.69Å
1194	I	91.2	Very high	86.6	Confident	8 Å²	8	66.8 Å²	66.8	4%	0.041	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.4	173.8	-58.4	179	0	0	0	107.7	W1173 S1179 I1180 I1182 W1227 L1232	W1173-I1194 HydrophobicContact CH2-CD1 4.16Å; W1173-I1194 HydrophobicContact CZ3-CD1 4.27Å; S1179-I1194 CarbonylContact C-O 3.57Å; S1179-I1194 VanDerWaalsContact CA-O 3.29Å; S1179-I1194 WeakPolarHBondContact CA-O 3.48Å; I1180-I1194 PolarHBondContact N-O 2.77Å; I1180-I1194 PolarHBondContact O-N 2.95Å; I1182-I1194 HydrophobicContact CD1-CD1 3.64Å; I1182-I1194 HydrophobicContact CD1-CG1 4.19Å; I1194-W1227 HydrophobicContact CD1-CE3 4.1Å; I1194-W1227 HydrophobicContact CD1-CZ3 4.07Å; I1194-W1227 HydrophobicContact CG2-CE3 4.16Å; I1194-W1227 HydrophobicContact CG2-CH2 3.31Å; I1194-W1227 HydrophobicContact CG2-CZ2 3.91Å; I1194-W1227 HydrophobicContact CG2-CZ3 3.46Å; I1194-W1227 VanDerWaalsContact CG2-CZ3 3.46Å; I1194-L1232 HydrophobicContact CD1-CB 4.06Å; I1194-L1232 HydrophobicContact CD1-CD2 4.24Å
1195	S	90.4	Very high	86.6	Confident	67 Å²	67	65.2 Å²	65.2	47%	0.469	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.3	164.3	-170.6	0	0	0	0	109.9	S1197	S1195-S1197 PolarHBondContact OG-O 3.48Å
1196	I	89.8	Confident	86.6	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.067	35%	0.347	C	S	.	.			trans	-103.9	-15.7	-179	-29.6	-173.8	0	0	0	111.6	S1178 I1180 I1204 I1216 E1225 W1227 R1249	S1178-I1196 PolarHBondContact O-N 3.32Å; I1180-I1196 HydrophobicContact CD1-CD1 3.63Å; I1180-I1196 HydrophobicContact CG1-CD1 3.97Å; I1196-I1204 HydrophobicContact CD1-CD1 3.51Å; I1196-I1204 HydrophobicContact CD1-CG1 3.8Å; I1196-I1204 HydrophobicContact CG1-CD1 4.1Å; I1196-I1216 HydrophobicContact CD1-CD1 3.76Å; I1196-I1216 HydrophobicContact CD1-CG2 3.72Å; I1196-E1225 HydrophobicContact CG2-CG 4.31Å; I1196-E1225 WeakPolarHBondContact CG2-OE1 3.46Å; I1196-E1225 WeakPolarHBondContact CG2-OE2 3.26Å; I1196-W1227 HydrophobicContact CG2-CZ2 4.31Å; I1196-R1249 VanDerWaalsContact CG2-NH2 3.32Å; I1196-R1249 PolarHBondContact O-NH2 3.23Å
1197	S	84	Confident	87	Confident	15 Å²	15	64.6 Å²	64.6	11%	0.105	33%	0.332	C	S	.	.			trans	-138.3	145.7	175.2	-160.2	0	0	0	0	111.7	S1195 N1199 D1202	S1195-S1197 PolarHBondContact OG-O 3.48Å; S1197-N1199 PolarHBondContact OG-N 3.1Å; S1197-N1199 VanDerWaalsContact OG-N 3.17Å; S1197-D1202 WeakPolarHBondContact CB-OD2 3.38Å; S1197-D1202 VanDerWaalsContact OG-CG 3.3Å; S1197-D1202 PolarHBondContact OG-OD2 3.08Å
1198	N	75.5	Confident	87.2	Confident	169 Å²	169	62 Å²	62	90%	0.904	32%	0.316	S	S	*	.	S	Bend	trans	-76.1	-16.2	166.4	-64.8	-5.3	0	0	0	111.3	P1200	N1198-P1200 WeakPolarHBondContact O-CD 3.26Å
1199	N	76.4	Confident	87.4	Confident	42 Å²	42	64 Å²	64	23%	0.225	33%	0.327	C	S	.	.			trans	-81.8	119.9	173.8	-174.7	12.5	0	0	0	110.1	S1178 S1197 L1201 D1202 Y1254	S1178-N1199 WeakPolarHBondContact CB-O 3.48Å; S1197-N1199 PolarHBondContact OG-N 3.1Å; S1197-N1199 VanDerWaalsContact OG-N 3.17Å; N1199-L1201 PolarHBondContact O-N 3.22Å; N1199-L1201 WeakPolarHBondContact OD1-CB 3.28Å; N1199-L1201 PolarHBondContact OD1-N 2.86Å; N1199-L1201 VanDerWaalsContact OD1-N 3.09Å; N1199-D1202 HydrophobicContact CB-CB 4.48Å; N1199-D1202 WeakPolarHBondContact CB-OD1 3.43Å; N1199-D1202 PolarHBondContact ND2-OD1 3.37Å; N1199-D1202 PolarHBondContact O-N 3.46Å; N1199-Y1254 PolarHBondContact ND2-OH 3.02Å; N1199-Y1254 PolarHBondContact OD1-OH 3.15Å
1200	P	72.5	Confident	87.6	Confident	92 Å²	92	59.7 Å²	59.7	60%	0.597	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-11.8	175.1	30.5	-36.1	0	0	0	113.4	N1198	N1198-P1200 WeakPolarHBondContact O-CD 3.26Å
1201	L	76.6	Confident	87.4	Confident	121 Å²	121	58.8 Å²	58.8	63%	0.634	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-10.1	176.6	-58.1	180	0	0	0	113.7	N1199 V1203 Y1254	N1199-L1201 PolarHBondContact O-N 3.22Å; N1199-L1201 WeakPolarHBondContact OD1-CB 3.28Å; N1199-L1201 PolarHBondContact OD1-N 2.86Å; N1199-L1201 VanDerWaalsContact OD1-N 3.09Å; L1201-V1203 PolarHBondContact O-N 3.33Å; L1201-Y1254 HydrophobicContact CD1-CE1 4.24Å
1202	D	84.3	Confident	87.5	Confident	33 Å²	33	53.1 Å²	53.1	18%	0.176	29%	0.29	C	S	.	.			trans	-68.9	125.6	173.2	-78.1	18.7	0	0	0	109.6	G1177 S1178 S1197 N1199 V1218 R1249	G1177-D1202 CarbonylContact C-O 3.5Å; S1178-D1202 VanDerWaalsContact CA-O 3.31Å; S1178-D1202 WeakPolarHBondContact CA-O 3.23Å; S1178-D1202 WeakPolarHBondContact CB-O 3.33Å; S1178-D1202 PolarHBondContact N-O 2.92Å; S1197-D1202 WeakPolarHBondContact CB-OD2 3.38Å; S1197-D1202 VanDerWaalsContact OG-CG 3.3Å; S1197-D1202 PolarHBondContact OG-OD2 3.08Å; N1199-D1202 HydrophobicContact CB-CB 4.48Å; N1199-D1202 WeakPolarHBondContact CB-OD1 3.43Å; N1199-D1202 PolarHBondContact ND2-OD1 3.37Å; N1199-D1202 PolarHBondContact O-N 3.46Å; D1202-V1218 HydrophobicContact CB-CG1 4Å; D1202-R1249 IonicContact OD2-CZ 2.78Å; D1202-R1249 IonicContact OD2-NH1 2.66Å; D1202-R1249 PolarHBondContact OD2-NH1 3.04Å
1203	V	89.1	Confident	87.6	Confident	53 Å²	53	49.3 Å²	49.3	32%	0.321	28%	0.275	S	S	.	.			trans	-110.8	121.8	174.9	-178.6	0	0	0	0	109.4	L1201 L1205 V1218 R1219	L1201-V1203 PolarHBondContact O-N 3.33Å; V1203-L1205 PolarHBondContact O-N 2.97Å; V1203-V1218 WeakPolarHBondContact O-CG1 3.11Å; V1203-R1219 HydrophobicContact CB-CB 4.46Å; V1203-R1219 WeakPolarHBondContact O-CB 3.37Å; V1203-R1219 PolarHBondContact O-N 3.33Å
1204	I	94.2	Very high	87.7	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	132.4	174	-64.5	157.2	0	0	0	109.1	S1163 A1175 G1177 S1179 I1180 I1196 I1207 I1216 V1218	S1163-I1204 WeakPolarHBondContact CB-O 3.46Å; S1163-I1204 PolarHBondContact OG-O 3.13Å; A1175-I1204 HydrophobicContact CB-CB 3.97Å; A1175-I1204 HydrophobicContact CB-CD1 3.86Å; A1175-I1204 HydrophobicContact CB-CG2 3.7Å; G1177-I1204 WeakPolarHBondContact O-CD1 3.37Å; G1177-I1204 VanDerWaalsContact O-CG1 3.31Å; G1177-I1204 WeakPolarHBondContact O-CG1 3.47Å; G1177-I1204 PolarHBondContact O-N 3.33Å; S1179-I1204 WeakPolarHBondContact O-CD1 3.28Å; I1180-I1204 HydrophobicContact CD1-CD1 4.39Å; I1180-I1204 HydrophobicContact CG1-CD1 3.7Å; I1196-I1204 HydrophobicContact CD1-CD1 3.51Å; I1196-I1204 HydrophobicContact CD1-CG1 3.8Å; I1196-I1204 HydrophobicContact CG1-CD1 4.1Å; I1204-I1207 HydrophobicContact CG2-CG2 4.19Å; I1204-I1216 HydrophobicContact CG2-CG2 3.99Å; I1204-V1218 HydrophobicContact CG1-CG2 4.47Å
1205	L	92.9	Very high	87.9	Confident	34 Å²	34	45.6 Å²	45.6	18%	0.178	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-50.2	-176.3	175.9	62.7	0	0	0	112	V1203 A1217 R1219 V1261	V1203-L1205 PolarHBondContact O-N 2.97Å; L1205-A1217 HydrophobicContact CB-CB 4.3Å; L1205-A1217 WeakPolarHBondContact CB-O 3.43Å; L1205-A1217 HydrophobicContact CD2-CB 4.26Å; L1205-A1217 PolarHBondContact N-O 2.95Å; L1205-R1219 HydrophobicContact CB-CB 4.16Å; L1205-R1219 HydrophobicContact CD1-CB 4.33Å; L1205-R1219 HydrophobicContact CD1-CG 4.31Å; L1205-V1261 HydrophobicContact CD2-CG1 4.13Å; L1205-V1261 VanDerWaalsContact CD2-O 3.32Å; L1205-V1261 WeakPolarHBondContact CD2-O 3.29Å
1206	K	93.3	Very high	88.2	Confident	64 Å²	64	42.4 Å²	42.4	28%	0.278	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	149.6	179.3	-165.2	73.5	-168.8	177.5	0	108.9	D1114 S1164 A1217 I1264	D1114-K1206 IonicContact OD1-NZ 2.84Å; D1114-K1206 PolarHBondContact OD1-NZ 2.85Å; D1114-K1206 IonicContact OD2-NZ 3.82Å; D1114-K1206 PolarHBondContact OD2-NZ 3.12Å; S1164-K1206 WeakPolarHBondContact OG-CD 3.48Å; S1164-K1206 WeakPolarHBondContact OG-CE 3.18Å; K1206-A1217 PolarHBondContact O-N 3.03Å; K1206-I1264 HydrophobicContact CB-CG1 4.49Å
1207	I	95.6	Very high	88.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.5	167.5	42.3	174.4	0	0	0	108.9	S1164 L1166 W1173 A1175 I1180 I1204 V1214 I1216	S1164-I1207 WeakPolarHBondContact OG-CG1 3.42Å; L1166-I1207 HydrophobicContact CB-CB 4.44Å; L1166-I1207 HydrophobicContact CB-CD1 3.7Å; L1166-I1207 HydrophobicContact CB-CG1 3.83Å; L1166-I1207 HydrophobicContact CD2-CB 4.18Å; L1166-I1207 HydrophobicContact CD2-CG1 4.47Å; W1173-I1207 HydrophobicContact CB-CD1 3.77Å; W1173-I1207 WeakPolarHBondContact O-CD1 3.47Å; A1175-I1207 HydrophobicContact CB-CD1 4.17Å; I1180-I1207 HydrophobicContact CD1-CG2 3.7Å; I1204-I1207 HydrophobicContact CG2-CG2 4.19Å; I1207-V1214 HydrophobicContact CB-CG1 4.46Å; I1207-I1216 HydrophobicContact CG2-CB 4.37Å; I1207-I1216 HydrophobicContact CG2-CD1 4.41Å; I1207-I1216 HydrophobicContact CG2-CG1 4.07Å; I1207-I1216 HydrophobicContact CG2-CG2 3.82Å
1208	C	94.1	Very high	88.8	Confident	20 Å²	20	41.3 Å²	41.3	14%	0.135	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.5	-177	-66.3	0	0	0	0	110.2	W1215 I1264 P1266	C1208-W1215 PolarHBondContact N-O 3.41Å; C1208-W1215 PolarHBondContact O-N 2.79Å; C1208-I1264 HydrophobicContact CB-CD1 4.38Å; C1208-I1264 PolarHBondContact SG-O 3.18Å; C1208-I1264 VanDerWaalsContact SG-O 3.32Å; C1208-P1266 HydrophobicContact CB-CG 4.19Å
1209	L	93.7	Very high	89.4	Confident	73 Å²	73	42 Å²	42	38%	0.382	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.2	171.1	-176.8	66	0	0	0	110	L1166 A1168 V1214 P1266	L1166-L1209 HydrophobicContact CD1-CB 4.1Å; L1166-L1209 HydrophobicContact CD2-CB 4.21Å; A1168-L1209 HydrophobicContact CB-CD1 4.34Å; A1168-L1209 HydrophobicContact CB-CD2 4.34Å; L1209-V1214 HydrophobicContact CD1-CG2 3.97Å; L1209-P1266 WeakPolarHBondContact O-CG 3.4Å
1210	G	90.3	Very high	90	Very high	12 Å²	12	41.3 Å²	41.3	12%	0.124	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	176.2	164.9	0	0	0	0	0	111.2	N1212 G1213	G1210-N1212 PolarHBondContact O-N 3.36Å; G1210-N1212 VanDerWaalsContact O-N 3.08Å; G1210-G1213 PolarHBondContact N-O 3.31Å; G1210-G1213 PolarHBondContact O-N 2.88Å; G1210-G1213 VanDerWaalsContact O-O 3.06Å
1211	D	86.6	Confident	90.8	Very high	114 Å²	114	37.2 Å²	37.2	61%	0.61	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.3	-171.9	-39.7	-78.7	0	0	0	113.2	D1268	D1211-D1268 WeakPolarHBondContact OD2-CA 3.36Å; D1211-D1268 PolarHBondContact OD2-N 2.67Å
1212	N	86	Confident	91.5	Very high	23 Å²	23	31.7 Å²	31.7	12%	0.123	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.5	-178.7	-71.5	-68.6	0	0	0	114.1	G1210 L1226 N1269 T1287 Y1371	G1210-N1212 PolarHBondContact O-N 3.36Å; G1210-N1212 VanDerWaalsContact O-N 3.08Å; N1212-L1226 HydrophobicContact CB-CD2 4.18Å; N1212-N1269 PolarHBondContact ND2-OD1 3.36Å; N1212-T1287 WeakPolarHBondContact OD1-CG2 3.49Å; N1212-Y1371 HydrophobicContact CB-CD1 4.48Å; N1212-Y1371 HydrophobicContact CB-CE1 3.91Å; N1212-Y1371 WeakPolarHBondContact OD1-CE1 3.5Å
1213	G	90.6	Very high	91.8	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.6	-166.9	-178.7	0	0	0	0	0	114.1	G1210 W1227	G1210-G1213 PolarHBondContact N-O 3.31Å; G1210-G1213 PolarHBondContact O-N 2.88Å; G1210-G1213 VanDerWaalsContact O-O 3.06Å; G1213-W1227 WeakPolarHBondContact CA-O 3.38Å
1214	V	94.3	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.6	179.6	178.4	0	0	0	0	110	L1166 W1173 I1207 L1209 I1216 W1227 P1229	L1166-V1214 HydrophobicContact CD2-CG1 3.9Å; L1166-V1214 HydrophobicContact CD2-CG2 4.28Å; W1173-V1214 HydrophobicContact CE3-CG1 3.97Å; W1173-V1214 HydrophobicContact CE3-CG2 4.43Å; W1173-V1214 HydrophobicContact CH2-CB 4.22Å; W1173-V1214 HydrophobicContact CH2-CG1 4.49Å; W1173-V1214 HydrophobicContact CH2-CG2 4.08Å; W1173-V1214 HydrophobicContact CZ2-CG2 4.15Å; W1173-V1214 HydrophobicContact CZ3-CB 4.08Å; W1173-V1214 HydrophobicContact CZ3-CG1 3.87Å; W1173-V1214 HydrophobicContact CZ3-CG2 4.21Å; I1207-V1214 HydrophobicContact CB-CG1 4.46Å; L1209-V1214 HydrophobicContact CD1-CG2 3.97Å; V1214-I1216 HydrophobicContact CG1-CG1 4.19Å; V1214-W1227 PolarHBondContact N-O 3.46Å; V1214-W1227 PolarHBondContact O-N 2.84Å; V1214-P1229 HydrophobicContact CG2-CB 4.11Å
1215	W	96	Very high	92.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	140.5	172.3	-72.8	94.3	0	0	0	111.1	C1208 I1224 E1225 L1226 L1236 I1264 P1266 L1271 I1285 L1373	C1208-W1215 PolarHBondContact N-O 3.41Å; C1208-W1215 PolarHBondContact O-N 2.79Å; W1215-I1224 HydrophobicContact CE3-CD1 4.31Å; W1215-I1224 HydrophobicContact CZ3-CD1 3.83Å; W1215-I1224 HydrophobicContact CZ3-CG1 4.43Å; W1215-E1225 CarbonylContact C-O 3.03Å; W1215-E1225 WeakPolarHBondContact CA-O 3.17Å; W1215-L1226 HydrophobicContact CD2-CB 4.29Å; W1215-L1226 HydrophobicContact CD2-CD1 3.88Å; W1215-L1226 HydrophobicContact CE3-CB 4.04Å; W1215-L1226 HydrophobicContact CE3-CD1 4.49Å; W1215-L1226 HydrophobicContact CG-CD1 4.04Å; W1215-L1226 HydrophobicContact CH2-CB 4.04Å; W1215-L1226 HydrophobicContact CH2-CD2 4.23Å; W1215-L1226 HydrophobicContact CZ2-CB 4.28Å; W1215-L1226 HydrophobicContact CZ2-CD1 4.16Å; W1215-L1226 HydrophobicContact CZ2-CD2 3.91Å; W1215-L1226 HydrophobicContact CZ2-CG 4.34Å; W1215-L1226 HydrophobicContact CZ3-CB 3.91Å; W1215-L1236 HydrophobicContact CH2-CD1 4.38Å; W1215-L1236 HydrophobicContact CH2-CD2 4.16Å; W1215-L1236 HydrophobicContact CZ3-CD1 4.27Å; W1215-I1264 HydrophobicContact CB-CD1 4.04Å; W1215-P1266 HydrophobicContact CG-CB 4.4Å; W1215-L1271 HydrophobicContact CD2-CD1 4.11Å; W1215-L1271 HydrophobicContact CD2-CD2 3.99Å; W1215-L1271 HydrophobicContact CE3-CD2 3.72Å; W1215-L1271 HydrophobicContact CG-CD1 4.2Å; W1215-L1271 HydrophobicContact CH2-CD2 3.87Å; W1215-L1271 HydrophobicContact CZ2-CD2 4.11Å; W1215-L1271 HydrophobicContact CZ3-CD2 3.67Å; W1215-I1285 HydrophobicContact CZ2-CD1 3.72Å; W1215-I1285 HydrophobicContact CZ2-CG1 4.29Å; W1215-L1373 HydrophobicContact CH2-CD1 4.11Å; W1215-L1373 HydrophobicContact CH2-CD2 4Å; W1215-L1373 HydrophobicContact CH2-CG 4.42Å; W1215-L1373 HydrophobicContact CZ3-CD1 4.49Å
1216	I	96	Very high	92.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.4	-175.5	-40	-174.6	0	0	0	110.4	I1180 I1196 I1204 I1207 V1214 I1224 E1225 W1227	I1180-I1216 HydrophobicContact CD1-CD1 3.83Å; I1196-I1216 HydrophobicContact CD1-CD1 3.76Å; I1196-I1216 HydrophobicContact CD1-CG2 3.72Å; I1204-I1216 HydrophobicContact CG2-CG2 3.99Å; I1207-I1216 HydrophobicContact CG2-CB 4.37Å; I1207-I1216 HydrophobicContact CG2-CD1 4.41Å; I1207-I1216 HydrophobicContact CG2-CG1 4.07Å; I1207-I1216 HydrophobicContact CG2-CG2 3.82Å; V1214-I1216 HydrophobicContact CG1-CG1 4.19Å; I1216-I1224 WeakPolarHBondContact O-CA 3.35Å; I1216-E1225 HydrophobicContact CB-CB 4.41Å; I1216-E1225 PolarHBondContact N-O 3.36Å; I1216-E1225 PolarHBondContact O-N 3.49Å; I1216-W1227 HydrophobicContact CD1-CB 4.46Å; I1216-W1227 HydrophobicContact CD1-CG 3.89Å
1217	A	94.7	Very high	92.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.2	171	0	0	0	0	0	110.8	L1205 K1206 V1261 I1264	L1205-A1217 HydrophobicContact CB-CB 4.3Å; L1205-A1217 WeakPolarHBondContact CB-O 3.43Å; L1205-A1217 HydrophobicContact CD2-CB 4.26Å; L1205-A1217 PolarHBondContact N-O 2.95Å; K1206-A1217 PolarHBondContact O-N 3.03Å; A1217-V1261 HydrophobicContact CB-CB 4.28Å; A1217-V1261 HydrophobicContact CB-CG1 3.64Å; A1217-I1264 HydrophobicContact CB-CD1 3.97Å; A1217-I1264 HydrophobicContact CB-CG1 4.22Å; A1217-I1264 HydrophobicContact CB-CG2 4.11Å
1218	V	91.8	Very high	91.8	Very high	6 Å²	6	25.7 Å²	25.7	4%	0.036	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.8	179.4	175	0	0	0	0	110.8	D1202 V1203 I1204 G1220 S1221	D1202-V1218 HydrophobicContact CB-CG1 4Å; V1203-V1218 WeakPolarHBondContact O-CG1 3.11Å; I1204-V1218 HydrophobicContact CG1-CG2 4.47Å; V1218-G1220 PolarHBondContact O-N 2.91Å; V1218-G1220 VanDerWaalsContact O-N 3.09Å; V1218-S1221 PolarHBondContact O-N 2.78Å; V1218-S1221 VanDerWaalsContact O-N 3.13Å
1219	R	89.3	Confident	91.6	Very high	183 Å²	183	25.5 Å²	25.5	69%	0.691	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	106.7	-166.2	-175.4	-176.3	-176.2	111.1	-3.5	111	V1203 L1205	V1203-R1219 HydrophobicContact CB-CB 4.46Å; V1203-R1219 WeakPolarHBondContact O-CB 3.37Å; V1203-R1219 PolarHBondContact O-N 3.33Å; L1205-R1219 HydrophobicContact CB-CB 4.16Å; L1205-R1219 HydrophobicContact CD1-CB 4.33Å; L1205-R1219 HydrophobicContact CD1-CG 4.31Å
1220	G	87.4	Confident	91.3	Very high	27 Å²	27	26.5 Å²	26.5	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	110	-19.4	179.7	0	0	0	0	0	114	V1218 N1257 R1260	V1218-G1220 PolarHBondContact O-N 2.91Å; V1218-G1220 VanDerWaalsContact O-N 3.09Å; G1220-N1257 WeakPolarHBondContact O-CB 3.23Å; G1220-R1260 VanDerWaalsContact O-CB 3.29Å; G1220-R1260 WeakPolarHBondContact O-CB 3.49Å
1221	S	90	Very high	91	Very high	7 Å²	7	32.1 Å²	32.1	5%	0.049	16%	0.156	C	C	.	.			trans	-86.8	158.8	178.9	178.1	0	0	0	0	112.2	V1218 V1223 E1252 R1260 V1261	V1218-S1221 PolarHBondContact O-N 2.78Å; V1218-S1221 VanDerWaalsContact O-N 3.13Å; S1221-V1223 WeakPolarHBondContact OG-CB 3.44Å; S1221-V1223 PolarHBondContact OG-N 3.04Å; S1221-E1252 WeakPolarHBondContact CA-OE2 3.43Å; S1221-E1252 WeakPolarHBondContact CB-OE1 3.42Å; S1221-E1252 WeakPolarHBondContact CB-OE2 3.48Å; S1221-E1252 PolarHBondContact OG-OE1 2.93Å; S1221-E1252 PolarHBondContact OG-OE2 3.28Å; S1221-R1260 WeakPolarHBondContact O-CA 3.5Å; S1221-V1261 PolarHBondContact O-N 3.26Å
1222	S	91.2	Very high	91.1	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.028	13%	0.129	C	C	.	.	S	Bend	trans	-97.9	10.3	166.4	62.3	0	0	0	0	113.2	N1239 I1240 V1241 N1257	S1222-N1239 PolarHBondContact O-OD1 2.83Å; S1222-N1239 PolarHBondContact OG-OD1 3.03Å; S1222-I1240 WeakPolarHBondContact O-CG1 3.5Å; S1222-I1240 PolarHBondContact O-N 3.34Å; S1222-V1241 VanDerWaalsContact CB-CG2 3.49Å; S1222-N1257 WeakPolarHBondContact CB-ND2 3.25Å; S1222-N1257 PolarHBondContact OG-ND2 3.48Å
1223	V	91.6	Very high	91.2	Very high	4 Å²	4	29 Å²	29	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.7	-179.3	-175.7	0	0	0	0	110.8	S1221 L1237 F1238 N1239 L1246 P1250	S1221-V1223 WeakPolarHBondContact OG-CB 3.44Å; S1221-V1223 PolarHBondContact OG-N 3.04Å; V1223-L1237 HydrophobicContact CG1-CD1 3.35Å; V1223-L1237 HydrophobicContact CG1-CG 3.83Å; V1223-F1238 WeakPolarHBondContact CA-O 3.31Å; V1223-N1239 HydrophobicContact CG2-CB 4.1Å; V1223-L1246 HydrophobicContact CG1-CD1 4Å; V1223-L1246 HydrophobicContact CG2-CD1 3.99Å; V1223-P1250 HydrophobicContact CG2-CG 4.15Å
1224	I	94.3	Very high	91.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.7	175.4	56	169.4	0	0	0	110.7	W1215 I1216 F1238 I1240 V1261 I1264 L1271 I1273 L1373	W1215-I1224 HydrophobicContact CE3-CD1 4.31Å; W1215-I1224 HydrophobicContact CZ3-CD1 3.83Å; W1215-I1224 HydrophobicContact CZ3-CG1 4.43Å; I1216-I1224 WeakPolarHBondContact O-CA 3.35Å; I1224-F1238 HydrophobicContact CD1-CD1 4.05Å; I1224-F1238 HydrophobicContact CG1-CB 4.1Å; I1224-F1238 HydrophobicContact CG1-CD1 4.17Å; I1224-F1238 WeakPolarHBondContact CG1-O 3.48Å; I1224-F1238 PolarHBondContact N-O 3.34Å; I1224-F1238 PolarHBondContact O-N 2.92Å; I1224-I1240 HydrophobicContact CD1-CG2 4.25Å; I1224-I1240 HydrophobicContact CG1-CG2 4.37Å; I1224-V1261 HydrophobicContact CG2-CG2 3.82Å; I1224-I1264 HydrophobicContact CG2-CG2 4.31Å; I1224-L1271 HydrophobicContact CD1-CD2 3.47Å; I1224-L1271 VanDerWaalsContact CD1-CD2 3.47Å; I1224-I1273 HydrophobicContact CD1-CD1 3.91Å; I1224-L1373 HydrophobicContact CD1-CD1 4.34Å
1225	E	94	Very high	90.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.3	176.6	-34.6	-149	164	0	0	111.5	I1196 W1215 I1216 W1227 R1234 L1236 L1237 R1249	I1196-E1225 HydrophobicContact CG2-CG 4.31Å; I1196-E1225 WeakPolarHBondContact CG2-OE1 3.46Å; I1196-E1225 WeakPolarHBondContact CG2-OE2 3.26Å; W1215-E1225 CarbonylContact C-O 3.03Å; W1215-E1225 WeakPolarHBondContact CA-O 3.17Å; I1216-E1225 HydrophobicContact CB-CB 4.41Å; I1216-E1225 PolarHBondContact N-O 3.36Å; I1216-E1225 PolarHBondContact O-N 3.49Å; E1225-W1227 PolarHBondContact OE2-NE1 3.46Å; E1225-R1234 HydrophobicContact CB-CG 4.47Å; E1225-R1234 WeakPolarHBondContact OE2-CD 3.49Å; E1225-L1236 WeakPolarHBondContact CA-O 3.38Å; E1225-L1237 HydrophobicContact CB-CD1 4.34Å; E1225-L1237 VanDerWaalsContact CD-CD1 3.48Å; E1225-L1237 HydrophobicContact CG-CD1 3.54Å; E1225-L1237 WeakPolarHBondContact OE1-CD1 3.41Å; E1225-R1249 IonicContact OE1-CZ 3.68Å; E1225-R1249 IonicContact OE1-NE 2.81Å; E1225-R1249 IonicContact OE1-NH2 3.63Å; E1225-R1249 PolarHBondContact OE1-NH2 3.42Å
1226	L	94	Very high	90.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.3	165.8	-179.4	59.1	0	0	0	109.2	N1212 W1215 I1235 L1236 Y1371	N1212-L1226 HydrophobicContact CB-CD2 4.18Å; W1215-L1226 HydrophobicContact CD2-CB 4.29Å; W1215-L1226 HydrophobicContact CD2-CD1 3.88Å; W1215-L1226 HydrophobicContact CE3-CB 4.04Å; W1215-L1226 HydrophobicContact CE3-CD1 4.49Å; W1215-L1226 HydrophobicContact CG-CD1 4.04Å; W1215-L1226 HydrophobicContact CH2-CB 4.04Å; W1215-L1226 HydrophobicContact CH2-CD2 4.23Å; W1215-L1226 HydrophobicContact CZ2-CB 4.28Å; W1215-L1226 HydrophobicContact CZ2-CD1 4.16Å; W1215-L1226 HydrophobicContact CZ2-CD2 3.91Å; W1215-L1226 HydrophobicContact CZ2-CG 4.34Å; W1215-L1226 HydrophobicContact CZ3-CB 3.91Å; L1226-I1235 HydrophobicContact CB-CB 4.36Å; L1226-I1235 HydrophobicContact CD2-CB 4.34Å; L1226-I1235 HydrophobicContact CD2-CD1 4.3Å; L1226-I1235 HydrophobicContact CD2-CG2 4.21Å; L1226-I1235 HydrophobicContact CG-CB 4.17Å; L1226-I1235 HydrophobicContact CG-CD1 4.19Å; L1226-I1235 PolarHBondContact O-N 3.25Å; L1226-L1236 HydrophobicContact CB-CD2 4Å; L1226-L1236 HydrophobicContact CB-CG 3.84Å; L1226-L1236 HydrophobicContact CD2-CD2 3.91Å; L1226-L1236 PolarHBondContact N-O 3.44Å; L1226-L1236 VanDerWaalsContact N-O 3.11Å; L1226-L1236 PolarHBondContact O-N 2.86Å; L1226-Y1371 HydrophobicContact CD2-CD1 4.11Å; L1226-Y1371 HydrophobicContact CD2-CE1 4.24Å
1227	W	93.3	Very high	90.5	Very high	26 Å²	26	35.4 Å²	35.4	10%	0.098	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141	-178.8	-76.6	71.1	0	0	0	111.9	I1194 I1196 G1213 V1214 I1216 E1225 P1229 I1233 R1234	I1194-W1227 HydrophobicContact CD1-CE3 4.1Å; I1194-W1227 HydrophobicContact CD1-CZ3 4.07Å; I1194-W1227 HydrophobicContact CG2-CE3 4.16Å; I1194-W1227 HydrophobicContact CG2-CH2 3.31Å; I1194-W1227 HydrophobicContact CG2-CZ2 3.91Å; I1194-W1227 HydrophobicContact CG2-CZ3 3.46Å; I1194-W1227 VanDerWaalsContact CG2-CZ3 3.46Å; I1196-W1227 HydrophobicContact CG2-CZ2 4.31Å; G1213-W1227 WeakPolarHBondContact CA-O 3.38Å; V1214-W1227 PolarHBondContact N-O 3.46Å; V1214-W1227 PolarHBondContact O-N 2.84Å; I1216-W1227 HydrophobicContact CD1-CB 4.46Å; I1216-W1227 HydrophobicContact CD1-CG 3.89Å; E1225-W1227 PolarHBondContact OE2-NE1 3.46Å; W1227-P1229 WeakPolarHBondContact O-CD 3.17Å; W1227-I1233 WeakPolarHBondContact CA-O 3.48Å; W1227-R1234 HydrophobicContact CD2-CB 3.94Å; W1227-R1234 HydrophobicContact CD2-CG 4.44Å; W1227-R1234 HydrophobicContact CE3-CB 4.38Å; W1227-R1234 HydrophobicContact CG-CB 4.44Å; W1227-R1234 HydrophobicContact CH2-CB 4.19Å; W1227-R1234 HydrophobicContact CZ2-CB 3.75Å; W1227-R1234 HydrophobicContact CZ2-CG 4.31Å; W1227-R1234 HydrophobicContact CZ3-CB 4.48Å
1228	D	89.6	Confident	90.4	Very high	29 Å²	29	35.5 Å²	35.5	16%	0.155	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.1	172.4	-176.7	-37.1	0	0	0	109	D1230 R1231 L1232 I1233 I1235	D1228-D1230 VanDerWaalsContact C-N 3.34Å; D1228-D1230 PolarHBondContact OD1-N 3.44Å; D1228-R1231 HydrophobicContact CB-CB 4.22Å; D1228-R1231 PolarHBondContact OD1-N 2.87Å; D1228-R1231 VanDerWaalsContact OD2-CD 3.23Å; D1228-R1231 WeakPolarHBondContact OD2-CD 3.47Å; D1228-R1231 WeakPolarHBondContact OD2-CG 3.25Å; D1228-R1231 IonicContact OD2-NE 2.65Å; D1228-L1232 WeakPolarHBondContact O-CA 3.42Å; D1228-L1232 PolarHBondContact O-N 2.81Å; D1228-I1233 HydrophobicContact CB-CG1 3.88Å; D1228-I1233 PolarHBondContact N-O 2.6Å; D1228-I1235 HydrophobicContact CB-CD1 3.98Å; D1228-I1235 HydrophobicContact CB-CG1 4.03Å
1229	P	89.5	Confident	90.4	Very high	16 Å²	16	36 Å²	36	10%	0.104	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.9	-177.3	29.7	-34.3	0	0	0	114	Q1171 W1173 V1214 W1227 L1232	Q1171-P1229 PolarHBondContact NE2-O 2.78Å; Q1171-P1229 PolarHBondContact OE1-O 3.2Å; W1173-P1229 HydrophobicContact CZ2-CB 4.22Å; V1214-P1229 HydrophobicContact CG2-CB 4.11Å; W1227-P1229 WeakPolarHBondContact O-CD 3.17Å; P1229-L1232 VanDerWaalsContact O-CD2 3.28Å; P1229-L1232 WeakPolarHBondContact O-CD2 3.35Å
1230	D	86.1	Confident	90.5	Very high	93 Å²	93	27.7 Å²	27.7	50%	0.497	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-34.8	-178	-62.1	-44.4	0	0	0	110.9	K1169 D1228	K1169-D1230 IonicContact NZ-OD1 2.58Å; K1169-D1230 PolarHBondContact NZ-OD1 3.46Å; K1169-D1230 IonicContact NZ-OD2 3.1Å; K1169-D1230 PolarHBondContact NZ-OD2 2.92Å; D1228-D1230 VanDerWaalsContact C-N 3.34Å; D1228-D1230 PolarHBondContact OD1-N 3.44Å
1231	R	85.5	Confident	90.6	Very high	131 Å²	131	29 Å²	29	49%	0.494	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-16.9	179	-58.6	-175.6	-179.7	-175	-1.6	114.4	D1228 I1233 N1366	D1228-R1231 HydrophobicContact CB-CB 4.22Å; D1228-R1231 PolarHBondContact OD1-N 2.87Å; D1228-R1231 VanDerWaalsContact OD2-CD 3.23Å; D1228-R1231 WeakPolarHBondContact OD2-CD 3.47Å; D1228-R1231 WeakPolarHBondContact OD2-CG 3.25Å; D1228-R1231 IonicContact OD2-NE 2.65Å; R1231-I1233 HydrophobicContact CB-CD1 4.14Å; R1231-I1233 HydrophobicContact CB-CG1 3.97Å; R1231-N1366 PolarHBondContact NH1-O 3.14Å
1232	L	87.9	Confident	90.4	Very high	8 Å²	8	34 Å²	34	4%	0.042	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	51.3	-177.7	-54.7	-173.6	0	0	0	112.8	W1173 I1182 Y1191 K1192 I1194 D1228 P1229	W1173-L1232 HydrophobicContact CH2-CD2 3.74Å; W1173-L1232 HydrophobicContact CZ2-CD2 3.32Å; I1182-L1232 HydrophobicContact CD1-CD1 3.79Å; I1182-L1232 HydrophobicContact CD1-CD2 3.69Å; I1182-L1232 HydrophobicContact CD1-CG 4.38Å; Y1191-L1232 HydrophobicContact CD1-CD1 3.72Å; Y1191-L1232 HydrophobicContact CE1-CD1 3.58Å; K1192-L1232 HydrophobicContact CB-CD1 3.88Å; K1192-L1232 HydrophobicContact CD-CB 4.05Å; K1192-L1232 HydrophobicContact CD-CD1 3.5Å; K1192-L1232 VanDerWaalsContact CD-CD1 3.5Å; K1192-L1232 HydrophobicContact CD-CG 4.43Å; K1192-L1232 HydrophobicContact CG-CD1 4.33Å; K1192-L1232 PolarHBondContact NZ-O 3.17Å; I1194-L1232 HydrophobicContact CD1-CB 4.06Å; I1194-L1232 HydrophobicContact CD1-CD2 4.24Å; D1228-L1232 WeakPolarHBondContact O-CA 3.42Å; D1228-L1232 PolarHBondContact O-N 2.81Å; P1229-L1232 VanDerWaalsContact O-CD2 3.28Å; P1229-L1232 WeakPolarHBondContact O-CD2 3.35Å
1233	I	87.3	Confident	90.3	Very high	62 Å²	62	37.4 Å²	37.4	32%	0.318	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.3	176.3	61.7	178.1	0	0	0	110.9	W1227 D1228 R1231 I1235	W1227-I1233 WeakPolarHBondContact CA-O 3.48Å; D1228-I1233 HydrophobicContact CB-CG1 3.88Å; D1228-I1233 PolarHBondContact N-O 2.6Å; R1231-I1233 HydrophobicContact CB-CD1 4.14Å; R1231-I1233 HydrophobicContact CB-CG1 3.97Å; I1233-I1235 PolarHBondContact O-N 2.8Å
1234	R	89.9	Confident	90.1	Very high	89 Å²	89	40.2 Å²	40.2	34%	0.336	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124.8	173.9	-167.3	178	69.2	-158.3	-0.3	110.6	E1225 W1227 L1236 S1247	E1225-R1234 HydrophobicContact CB-CG 4.47Å; E1225-R1234 WeakPolarHBondContact OE2-CD 3.49Å; W1227-R1234 HydrophobicContact CD2-CB 3.94Å; W1227-R1234 HydrophobicContact CD2-CG 4.44Å; W1227-R1234 HydrophobicContact CE3-CB 4.38Å; W1227-R1234 HydrophobicContact CG-CB 4.44Å; W1227-R1234 HydrophobicContact CH2-CB 4.19Å; W1227-R1234 HydrophobicContact CZ2-CB 3.75Å; W1227-R1234 HydrophobicContact CZ2-CG 4.31Å; W1227-R1234 HydrophobicContact CZ3-CB 4.48Å; R1234-L1236 WeakPolarHBondContact CG-O 3.05Å; R1234-S1247 PolarHBondContact NH2-O 2.67Å
1235	I	89.3	Confident	89.9	Confident	37 Å²	37	45.2 Å²	45.2	19%	0.19	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-51.1	176.6	-61.7	-175.7	0	0	0	110.5	L1226 D1228 I1233 Y1371	L1226-I1235 HydrophobicContact CB-CB 4.36Å; L1226-I1235 HydrophobicContact CD2-CB 4.34Å; L1226-I1235 HydrophobicContact CD2-CD1 4.3Å; L1226-I1235 HydrophobicContact CD2-CG2 4.21Å; L1226-I1235 HydrophobicContact CG-CB 4.17Å; L1226-I1235 HydrophobicContact CG-CD1 4.19Å; L1226-I1235 PolarHBondContact O-N 3.25Å; D1228-I1235 HydrophobicContact CB-CD1 3.98Å; D1228-I1235 HydrophobicContact CB-CG1 4.03Å; I1233-I1235 PolarHBondContact O-N 2.8Å; I1235-Y1371 HydrophobicContact CD1-CE2 4.39Å; I1235-Y1371 HydrophobicContact CG2-CD2 3.3Å; I1235-Y1371 HydrophobicContact CG2-CE2 3.33Å; I1235-Y1371 HydrophobicContact CG2-CG 4.05Å
1236	L	91.4	Very high	89.5	Confident	15 Å²	15	47.4 Å²	47.4	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.5	179.8	76.2	97	0	0	0	112.2	W1215 E1225 L1226 R1234 F1238 Y1371 L1373	W1215-L1236 HydrophobicContact CH2-CD1 4.38Å; W1215-L1236 HydrophobicContact CH2-CD2 4.16Å; W1215-L1236 HydrophobicContact CZ3-CD1 4.27Å; E1225-L1236 WeakPolarHBondContact CA-O 3.38Å; L1226-L1236 HydrophobicContact CB-CD2 4Å; L1226-L1236 HydrophobicContact CB-CG 3.84Å; L1226-L1236 HydrophobicContact CD2-CD2 3.91Å; L1226-L1236 PolarHBondContact N-O 3.44Å; L1226-L1236 VanDerWaalsContact N-O 3.11Å; L1226-L1236 PolarHBondContact O-N 2.86Å; R1234-L1236 WeakPolarHBondContact CG-O 3.05Å; L1236-F1238 HydrophobicContact CD1-CB 3.72Å; L1236-Y1371 HydrophobicContact CD2-CG 4.28Å; L1236-L1373 HydrophobicContact CD1-CD1 3.95Å
1237	L	91.8	Very high	88.7	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	125.7	174.9	-178	71.6	0	0	0	107.5	V1223 E1225 Y1245 L1246 R1248 R1249	V1223-L1237 HydrophobicContact CG1-CD1 3.35Å; V1223-L1237 HydrophobicContact CG1-CG 3.83Å; E1225-L1237 HydrophobicContact CB-CD1 4.34Å; E1225-L1237 VanDerWaalsContact CD-CD1 3.48Å; E1225-L1237 HydrophobicContact CG-CD1 3.54Å; E1225-L1237 WeakPolarHBondContact OE1-CD1 3.41Å; L1237-Y1245 WeakPolarHBondContact O-CA 3.42Å; L1237-L1246 HydrophobicContact CB-CB 4.28Å; L1237-L1246 WeakPolarHBondContact CB-O 3.29Å; L1237-L1246 HydrophobicContact CD2-CB 3.64Å; L1237-L1246 HydrophobicContact CD2-CD1 4.39Å; L1237-L1246 HydrophobicContact CG-CB 3.84Å; L1237-L1246 HydrophobicContact CG-CD1 4.28Å; L1237-L1246 PolarHBondContact O-N 3.35Å; L1237-R1248 WeakPolarHBondContact CD2-O 3.26Å; L1237-R1249 HydrophobicContact CD2-CB 4.38Å; L1237-R1249 VanDerWaalsContact CD2-N 3.35Å
1238	F	93.2	Very high	88	Confident	2 Å²	2	61 Å²	61	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.1	-169.1	-179.7	-95.3	0	0	0	111.6	V1223 I1224 L1236 I1240 E1243 T1244 Y1245 Y1283 L1373	V1223-F1238 WeakPolarHBondContact CA-O 3.31Å; I1224-F1238 HydrophobicContact CD1-CD1 4.05Å; I1224-F1238 HydrophobicContact CG1-CB 4.1Å; I1224-F1238 HydrophobicContact CG1-CD1 4.17Å; I1224-F1238 WeakPolarHBondContact CG1-O 3.48Å; I1224-F1238 PolarHBondContact N-O 3.34Å; I1224-F1238 PolarHBondContact O-N 2.92Å; L1236-F1238 HydrophobicContact CD1-CB 3.72Å; F1238-I1240 HydrophobicContact CD1-CG2 4.22Å; F1238-I1240 HydrophobicContact CE1-CG2 4.25Å; F1238-E1243 HydrophobicContact CE2-CB 4.49Å; F1238-E1243 WeakPolarHBondContact CE2-O 3.47Å; F1238-E1243 HydrophobicContact CZ-CB 3.97Å; F1238-T1244 WeakPolarHBondContact CA-O 3.42Å; F1238-Y1245 AromaticContact CD2-CD1 3.9Å; F1238-Y1245 HydrophobicContact CD2-CD1 3.9Å; F1238-Y1245 HydrophobicContact CD2-CD2 4.42Å; F1238-Y1245 AromaticContact CD2-CE1 3.72Å; F1238-Y1245 HydrophobicContact CD2-CE1 3.72Å; F1238-Y1245 HydrophobicContact CD2-CE2 4.24Å; F1238-Y1245 HydrophobicContact CD2-CG 4.24Å; F1238-Y1245 AromaticContact CD2-CZ 3.87Å; F1238-Y1245 HydrophobicContact CE2-CE1 4.31Å; F1238-Y1245 HydrophobicContact CE2-CE2 4.19Å; F1238-Y1245 AromaticContact CE2-CZ 3.99Å; F1238-Y1283 HydrophobicContact CE1-CD1 4.39Å; F1238-Y1283 AromaticContact CE1-CE1 3.79Å; F1238-Y1283 HydrophobicContact CE1-CE1 3.79Å; F1238-Y1283 HydrophobicContact CZ-CD1 4.43Å; F1238-Y1283 AromaticContact CZ-CE1 3.85Å; F1238-Y1283 HydrophobicContact CZ-CE1 3.85Å; F1238-L1373 HydrophobicContact CB-CD1 3.86Å; F1238-L1373 HydrophobicContact CD1-CD1 3.7Å; F1238-L1373 HydrophobicContact CD2-CD1 3.92Å; F1238-L1373 HydrophobicContact CE1-CD1 4.13Å; F1238-L1373 HydrophobicContact CE2-CB 4.25Å; F1238-L1373 HydrophobicContact CE2-CD1 4.33Å; F1238-L1373 HydrophobicContact CG-CD1 3.57Å; F1238-L1373 HydrophobicContact CZ-CB 4.22Å; F1238-L1373 HydrophobicContact CZ-CD1 4.42Å
1239	N	91.8	Very high	87.5	Confident	16 Å²	16	61.5 Å²	61.5	9%	0.086	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.6	177	-173.8	-16.6	0	0	0	110.6	S1222 V1223 V1241 E1243 T1244 L1246	S1222-N1239 PolarHBondContact O-OD1 2.83Å; S1222-N1239 PolarHBondContact OG-OD1 3.03Å; V1223-N1239 HydrophobicContact CG2-CB 4.1Å; N1239-V1241 VanDerWaalsContact C-N 3.27Å; N1239-V1241 PolarHBondContact O-N 2.9Å; N1239-V1241 PolarHBondContact OD1-N 3.13Å; N1239-V1241 VanDerWaalsContact OD1-N 3.09Å; N1239-E1243 VanDerWaalsContact O-CA 3.25Å; N1239-E1243 WeakPolarHBondContact O-CA 3.34Å; N1239-E1243 PolarHBondContact O-N 2.99Å; N1239-T1244 PolarHBondContact N-O 3.06Å; N1239-T1244 PolarHBondContact O-N 2.87Å; N1239-L1246 HydrophobicContact CB-CD1 3.99Å
1240	I	92.2	Very high	86.6	Confident	9 Å²	9	63.2 Å²	63.2	5%	0.046	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.9	-174.7	72.7	-177.6	0	0	0	113.7	S1222 I1224 F1238 V1261 I1273 T1275 L1281 Y1283	S1222-I1240 WeakPolarHBondContact O-CG1 3.5Å; S1222-I1240 PolarHBondContact O-N 3.34Å; I1224-I1240 HydrophobicContact CD1-CG2 4.25Å; I1224-I1240 HydrophobicContact CG1-CG2 4.37Å; F1238-I1240 HydrophobicContact CD1-CG2 4.22Å; F1238-I1240 HydrophobicContact CE1-CG2 4.25Å; I1240-V1261 HydrophobicContact CD1-CG2 3.86Å; I1240-I1273 HydrophobicContact CD1-CG2 4.05Å; I1240-I1273 HydrophobicContact CG2-CD1 3.65Å; I1240-T1275 HydrophobicContact CD1-CG2 4.39Å; I1240-L1281 HydrophobicContact CB-CD1 4.23Å; I1240-L1281 HydrophobicContact CD1-CD1 4.04Å; I1240-L1281 HydrophobicContact CG1-CD1 4.36Å; I1240-Y1283 HydrophobicContact CG2-CE2 4.47Å
1241	V	87.9	Confident	85.5	Confident	55 Å²	55	68.4 Å²	68.4	33%	0.333	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-43.3	-177.9	172.1	0	0	0	0	111.2	S1222 N1239 Q1259	S1222-V1241 VanDerWaalsContact CB-CG2 3.49Å; N1239-V1241 VanDerWaalsContact C-N 3.27Å; N1239-V1241 PolarHBondContact O-N 2.9Å; N1239-V1241 PolarHBondContact OD1-N 3.13Å; N1239-V1241 VanDerWaalsContact OD1-N 3.09Å; V1241-Q1259 HydrophobicContact CG2-CB 3.71Å
1242	N	85.7	Confident	84.1	Confident	111 Å²	111	65.6 Å²	65.6	59%	0.594	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-9.5	-178.2	-66	-20.6	0	0	0	112.9	T1244	N1242-T1244 HydrophobicContact CB-CG2 4.19Å; N1242-T1244 PolarHBondContact O-N 3.45Å
1243	E	89.8	Confident	82.1	Confident	77 Å²	77	71.5 Å²	71.5	36%	0.36	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.9	-174.3	-48.9	-158.5	117.2	0	0	113.5	F1238 N1239 Y1283 K1375	F1238-E1243 HydrophobicContact CE2-CB 4.49Å; F1238-E1243 WeakPolarHBondContact CE2-O 3.47Å; F1238-E1243 HydrophobicContact CZ-CB 3.97Å; N1239-E1243 VanDerWaalsContact O-CA 3.25Å; N1239-E1243 WeakPolarHBondContact O-CA 3.34Å; N1239-E1243 PolarHBondContact O-N 2.99Å; E1243-Y1283 VanDerWaalsContact OE1-CE1 3.31Å; E1243-Y1283 WeakPolarHBondContact OE1-CE1 3.42Å; E1243-Y1283 PolarHBondContact OE1-OH 2.86Å; E1243-K1375 WeakPolarHBondContact OE1-CB 3.45Å; E1243-K1375 WeakPolarHBondContact OE1-CD 3.4Å; E1243-K1375 IonicContact OE1-NZ 2.83Å; E1243-K1375 PolarHBondContact OE1-NZ 3.19Å; E1243-K1375 IonicContact OE2-NZ 3.71Å; E1243-K1375 PolarHBondContact OE2-NZ 3.44Å
1244	T	88.5	Confident	80.6	Confident	62 Å²	62	75.4 Å²	75.4	38%	0.38	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.6	-177.1	50	0	0	0	0	113	F1238 N1239 N1242	F1238-T1244 WeakPolarHBondContact CA-O 3.42Å; N1239-T1244 PolarHBondContact N-O 3.06Å; N1239-T1244 PolarHBondContact O-N 2.87Å; N1242-T1244 HydrophobicContact CB-CG2 4.19Å; N1242-T1244 PolarHBondContact O-N 3.45Å
1245	Y	88.8	Confident	79	Confident	106 Å²	106	73.9 Å²	73.9	42%	0.416	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.6	164.2	-58.8	-85.3	0	0	0	110.5	L1237 F1238 E1372 L1373	L1237-Y1245 WeakPolarHBondContact O-CA 3.42Å; F1238-Y1245 AromaticContact CD2-CD1 3.9Å; F1238-Y1245 HydrophobicContact CD2-CD1 3.9Å; F1238-Y1245 HydrophobicContact CD2-CD2 4.42Å; F1238-Y1245 AromaticContact CD2-CE1 3.72Å; F1238-Y1245 HydrophobicContact CD2-CE1 3.72Å; F1238-Y1245 HydrophobicContact CD2-CE2 4.24Å; F1238-Y1245 HydrophobicContact CD2-CG 4.24Å; F1238-Y1245 AromaticContact CD2-CZ 3.87Å; F1238-Y1245 HydrophobicContact CE2-CE1 4.31Å; F1238-Y1245 HydrophobicContact CE2-CE2 4.19Å; F1238-Y1245 AromaticContact CE2-CZ 3.99Å; Y1245-E1372 WeakPolarHBondContact OH-CA 3.33Å; Y1245-L1373 PolarHBondContact OH-N 2.99Å
1246	L	86.4	Confident	78.1	Confident	48 Å²	48	77.1 Å²	77.1	25%	0.251	37%	0.374	S	S	.	.			trans	-125.3	138.8	-173.2	-64.6	170.7	0	0	0	110.4	V1223 L1237 N1239	V1223-L1246 HydrophobicContact CG1-CD1 4Å; V1223-L1246 HydrophobicContact CG2-CD1 3.99Å; L1237-L1246 HydrophobicContact CB-CB 4.28Å; L1237-L1246 WeakPolarHBondContact CB-O 3.29Å; L1237-L1246 HydrophobicContact CD2-CB 3.64Å; L1237-L1246 HydrophobicContact CD2-CD1 4.39Å; L1237-L1246 HydrophobicContact CG-CB 3.84Å; L1237-L1246 HydrophobicContact CG-CD1 4.28Å; L1237-L1246 PolarHBondContact O-N 3.35Å; N1239-L1246 HydrophobicContact CB-CD1 3.99Å
1247	S	77.4	Confident	77.5	Confident	108 Å²	108	77.9 Å²	77.9	76%	0.755	38%	0.378	S	S	*	.	S	Bend	trans	-81.8	-29.4	173.1	57.3	0	0	0	0	112.4	R1234	R1234-S1247 PolarHBondContact NH2-O 2.67Å
1248	R	79	Confident	77	Confident	204 Å²	204	78.7 Å²	78.7	77%	0.77	38%	0.384	S	S	*	.	S	Bend	trans	-140.2	153.8	177.1	-63.7	-176.1	178.1	-174.4	-1.5	109	L1237	L1237-R1248 WeakPolarHBondContact CD2-O 3.26Å
1249	R	77.7	Confident	76.6	Confident	39 Å²	39	81.8 Å²	81.8	15%	0.147	40%	0.398	C	S	.	.			trans	-64.6	134.7	172.7	-170	179.5	-66.3	-177.7	-1.2	108.3	I1196 D1202 E1225 L1237	I1196-R1249 VanDerWaalsContact CG2-NH2 3.32Å; I1196-R1249 PolarHBondContact O-NH2 3.23Å; D1202-R1249 IonicContact OD2-CZ 2.78Å; D1202-R1249 IonicContact OD2-NH1 2.66Å; D1202-R1249 PolarHBondContact OD2-NH1 3.04Å; E1225-R1249 IonicContact OE1-CZ 3.68Å; E1225-R1249 IonicContact OE1-NE 2.81Å; E1225-R1249 IonicContact OE1-NH2 3.63Å; E1225-R1249 PolarHBondContact OE1-NH2 3.42Å; L1237-R1249 HydrophobicContact CD2-CB 4.38Å; L1237-R1249 VanDerWaalsContact CD2-N 3.35Å
1250	P	71.1	Confident	76.6	Confident	53 Å²	53	82.6 Å²	82.6	34%	0.344	40%	0.4	S	S	.	.			trans	-60.6	146.1	171.1	25.5	-34.2	0	0	0	110	V1223 E1252	V1223-P1250 HydrophobicContact CG2-CG 4.15Å; P1250-E1252 HydrophobicContact CB-CG 4.41Å; P1250-E1252 HydrophobicContact CG-CG 3.97Å; P1250-E1252 PolarHBondContact O-N 3.14Å
1251	E	62.8	Low	76.7	Confident	201 Å²	201	82.3 Å²	82.3	94%	0.939	40%	0.398	S	S	*	.			trans	-74.7	83.8	164.1	-68.6	175.4	-169.9	0	0	107	E1253	E1251-E1253 PolarHBondContact O-N 2.88Å
1252	E	55.7	Low	76.9	Confident	72 Å²	72	81 Å²	81	34%	0.336	39%	0.391	S	S	.	.			trans	-63.1	125.5	178.6	-66.8	-176.8	-171.3	0	0	109.6	S1221 P1250	S1221-E1252 WeakPolarHBondContact CA-OE2 3.43Å; S1221-E1252 WeakPolarHBondContact CB-OE1 3.42Å; S1221-E1252 WeakPolarHBondContact CB-OE2 3.48Å; S1221-E1252 PolarHBondContact OG-OE1 2.93Å; S1221-E1252 PolarHBondContact OG-OE2 3.28Å; P1250-E1252 HydrophobicContact CB-CG 4.41Å; P1250-E1252 HydrophobicContact CG-CG 3.97Å; P1250-E1252 PolarHBondContact O-N 3.14Å
1253	E	46.6	Very low	77.4	Confident	132 Å²	132	76.6 Å²	76.6	62%	0.617	37%	0.368	S	S	*	.			trans	-60.6	144.9	166.9	-66.5	-158.3	125.9	0	0	109.1	E1251 T1255	E1251-E1253 PolarHBondContact O-N 2.88Å; E1253-T1255 PolarHBondContact O-N 3.3Å; E1253-T1255 PolarHBondContact O-OG1 3.23Å
1254	Y	55.6	Low	77.6	Confident	145 Å²	145	73.1 Å²	73.1	57%	0.569	35%	0.352	S	S	*	.	S	Bend	trans	-67.3	25	-177.3	-65	-85.3	0	0	0	114.7	K993 N1199 L1201	K993-Y1254 WeakPolarHBondContact CE-O 3.11Å; K993-Y1254 PolarHBondContact NZ-O 3.34Å; N1199-Y1254 PolarHBondContact ND2-OH 3.02Å; N1199-Y1254 PolarHBondContact OD1-OH 3.15Å; L1201-Y1254 HydrophobicContact CD1-CE1 4.24Å
1255	T	56.9	Low	77.9	Confident	56 Å²	56	71.2 Å²	71.2	34%	0.344	34%	0.339	S	S	.	.			trans	-61	149.4	164	52	0	0	0	0	109.1	K993 E1253	K993-T1255 HydrophobicContact CB-CG2 4.47Å; K993-T1255 HydrophobicContact CD-CG2 4.45Å; K993-T1255 HydrophobicContact CG-CG2 4.19Å; E1253-T1255 PolarHBondContact O-N 3.3Å; E1253-T1255 PolarHBondContact O-OG1 3.23Å
1256	F	70	Confident	78.1	Confident	106 Å²	106	66.7 Å²	66.7	47%	0.465	32%	0.322	S	S	.	.			trans	-66.6	150.6	167.1	173.1	-89	0	0	0	107.6	W997 R1260	W997-F1256 HydrophobicContact CD2-CB 4.33Å; W997-F1256 HydrophobicContact CE3-CD1 4.13Å; W997-F1256 HydrophobicContact CH2-CB 3.9Å; W997-F1256 AromaticContact CH2-CD1 3.8Å; W997-F1256 HydrophobicContact CH2-CD1 3.8Å; W997-F1256 HydrophobicContact CH2-CG 4.37Å; W997-F1256 WeakPolarHBondContact CH2-O 3.29Å; W997-F1256 HydrophobicContact CZ2-CB 3.57Å; W997-F1256 HydrophobicContact CZ2-CD1 4.35Å; W997-F1256 HydrophobicContact CZ2-CG 4.49Å; W997-F1256 VanDerWaalsContact CZ2-N 3.31Å; W997-F1256 WeakPolarHBondContact CZ2-O 3.39Å; W997-F1256 HydrophobicContact CZ3-CB 4.33Å; W997-F1256 AromaticContact CZ3-CD1 3.63Å; W997-F1256 HydrophobicContact CZ3-CD1 3.63Å; W997-F1256 HydrophobicContact CZ3-CE1 4.4Å; W997-F1256 HydrophobicContact CZ3-CG 4.45Å; F1256-R1260 VanDerWaalsContact CZ-CZ 3.46Å
1257	N	78.5	Confident	78.1	Confident	31 Å²	31	65.4 Å²	65.4	17%	0.166	31%	0.314	C	S	.	.			trans	-114	114.8	173.6	-176.5	-14.6	0	0	0	108.4	G1220 S1222 Q1259 R1260	G1220-N1257 WeakPolarHBondContact O-CB 3.23Å; S1222-N1257 WeakPolarHBondContact CB-ND2 3.25Å; S1222-N1257 PolarHBondContact OG-ND2 3.48Å; N1257-Q1259 VanDerWaalsContact C-N 3.29Å; N1257-Q1259 PolarHBondContact O-N 2.86Å; N1257-Q1259 WeakPolarHBondContact OD1-CA 3.4Å; N1257-Q1259 PolarHBondContact OD1-N 3.26Å; N1257-R1260 HydrophobicContact CB-CB 4.04Å; N1257-R1260 VanDerWaalsContact O-CB 3.3Å; N1257-R1260 WeakPolarHBondContact O-CB 3.48Å; N1257-R1260 VanDerWaalsContact O-CD 3.27Å; N1257-R1260 WeakPolarHBondContact O-CD 3.31Å; N1257-R1260 VanDerWaalsContact O-CG 3.25Å; N1257-R1260 WeakPolarHBondContact O-CG 3.37Å; N1257-R1260 PolarHBondContact O-N 3.32Å; N1257-R1260 PolarHBondContact O-NH1 2.95Å; N1257-R1260 PolarHBondContact OD1-N 3.06Å
1258	P	81.1	Confident	78.1	Confident	20 Å²	20	64 Å²	64	13%	0.13	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-43.9	177.4	23.1	-31.1	0	0	0	110.1	R1260 G1276 M1277	P1258-R1260 PolarHBondContact O-N 3.44Å; P1258-R1260 PolarHBondContact O-NH1 3.43Å; P1258-G1276 CarbonylContact O-C 3.59Å; P1258-G1276 WeakPolarHBondContact O-CA 3.31Å; P1258-M1277 HydrophobicContact CB-CG 3.76Å; P1258-M1277 HydrophobicContact CB-SD 3.53Å; P1258-M1277 VanDerWaalsContact CB-SD 3.53Å; P1258-M1277 PolarHBondContact O-N 2.96Å
1259	Q	85.3	Confident	78.3	Confident	66 Å²	66	56.8 Å²	56.8	31%	0.308	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	20.1	179.9	-64.1	172.6	-1.4	0	0	112.8	V1241 N1257 M1277	V1241-Q1259 HydrophobicContact CG2-CB 3.71Å; N1257-Q1259 VanDerWaalsContact C-N 3.29Å; N1257-Q1259 PolarHBondContact O-N 2.86Å; N1257-Q1259 WeakPolarHBondContact OD1-CA 3.4Å; N1257-Q1259 PolarHBondContact OD1-N 3.26Å; Q1259-M1277 HydrophobicContact CG-CG 4.24Å
1260	R	91.7	Very high	78.9	Confident	34 Å²	34	55.4 Å²	55.4	13%	0.128	27%	0.271	C	S	.	.			trans	-55.4	150.9	169.2	70.8	-164.2	172.9	-66.8	-10	111	G1220 S1221 F1256 N1257 P1258 T1262 T1275 G1276	G1220-R1260 VanDerWaalsContact O-CB 3.29Å; G1220-R1260 WeakPolarHBondContact O-CB 3.49Å; S1221-R1260 WeakPolarHBondContact O-CA 3.5Å; F1256-R1260 VanDerWaalsContact CZ-CZ 3.46Å; N1257-R1260 HydrophobicContact CB-CB 4.04Å; N1257-R1260 VanDerWaalsContact O-CB 3.3Å; N1257-R1260 WeakPolarHBondContact O-CB 3.48Å; N1257-R1260 VanDerWaalsContact O-CD 3.27Å; N1257-R1260 WeakPolarHBondContact O-CD 3.31Å; N1257-R1260 VanDerWaalsContact O-CG 3.25Å; N1257-R1260 WeakPolarHBondContact O-CG 3.37Å; N1257-R1260 PolarHBondContact O-N 3.32Å; N1257-R1260 PolarHBondContact O-NH1 2.95Å; N1257-R1260 PolarHBondContact OD1-N 3.06Å; P1258-R1260 PolarHBondContact O-N 3.44Å; P1258-R1260 PolarHBondContact O-NH1 3.43Å; R1260-T1262 HydrophobicContact CG-CG2 4.03Å; R1260-T1275 WeakPolarHBondContact O-CA 3.39Å; R1260-G1276 PolarHBondContact NH2-O 3.39Å; R1260-G1276 PolarHBondContact O-N 2.86Å
1261	V	93.9	Very high	80	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.2	165.3	179.4	0	0	0	0	109.2	L1205 A1217 S1221 I1224 I1240 I1264 I1273	L1205-V1261 HydrophobicContact CD2-CG1 4.13Å; L1205-V1261 VanDerWaalsContact CD2-O 3.32Å; L1205-V1261 WeakPolarHBondContact CD2-O 3.29Å; A1217-V1261 HydrophobicContact CB-CB 4.28Å; A1217-V1261 HydrophobicContact CB-CG1 3.64Å; S1221-V1261 PolarHBondContact O-N 3.26Å; I1224-V1261 HydrophobicContact CG2-CG2 3.82Å; I1240-V1261 HydrophobicContact CD1-CG2 3.86Å; V1261-I1264 HydrophobicContact CG1-CG2 3.66Å; V1261-I1273 HydrophobicContact CG1-CG2 4.09Å; V1261-I1273 HydrophobicContact CG2-CG2 4.07Å
1262	T	93.5	Very high	81.5	Confident	29 Å²	29	43.3 Å²	43.3	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-21.8	171.8	48.8	0	0	0	0	113.5	R1260 G1274 T1275 P1385 I1386	R1260-T1262 HydrophobicContact CG-CG2 4.03Å; T1262-G1274 PolarHBondContact N-O 3.22Å; T1262-G1274 PolarHBondContact OG1-O 2.82Å; T1262-G1274 VanDerWaalsContact OG1-O 3.11Å; T1262-T1275 VanDerWaalsContact OG1-C 3.22Å; T1262-T1275 PolarHBondContact OG1-O 3.33Å; T1262-P1385 HydrophobicContact CG2-CB 4.33Å; T1262-I1386 VanDerWaalsContact CB-O 3.29Å; T1262-I1386 WeakPolarHBondContact CB-O 3.49Å; T1262-I1386 PolarHBondContact OG1-O 2.76Å
1263	V	94.7	Very high	83.4	Confident	17 Å²	17	39.9 Å²	39.9	10%	0.103	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	149.9	169.1	55.8	0	0	0	0	110.7	I1273 G1274 I1386 L1389	V1263-I1273 WeakPolarHBondContact O-CA 3.47Å; V1263-G1274 PolarHBondContact N-O 2.82Å; V1263-G1274 PolarHBondContact O-N 3.28Å; V1263-I1386 HydrophobicContact CG1-CG2 4.03Å; V1263-L1389 HydrophobicContact CG1-CB 4.29Å; V1263-L1389 HydrophobicContact CG1-CD1 3.89Å; V1263-L1389 HydrophobicContact CG1-CG 3.82Å; V1263-L1389 HydrophobicContact CG2-CB 4.1Å
1264	I	95.3	Very high	85.7	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.5	175.7	49.6	164.9	0	0	0	111	K1206 C1208 W1215 A1217 I1224 V1261 W1272 I1273	K1206-I1264 HydrophobicContact CB-CG1 4.49Å; C1208-I1264 HydrophobicContact CB-CD1 4.38Å; C1208-I1264 PolarHBondContact SG-O 3.18Å; C1208-I1264 VanDerWaalsContact SG-O 3.32Å; W1215-I1264 HydrophobicContact CB-CD1 4.04Å; A1217-I1264 HydrophobicContact CB-CD1 3.97Å; A1217-I1264 HydrophobicContact CB-CG1 4.22Å; A1217-I1264 HydrophobicContact CB-CG2 4.11Å; I1224-I1264 HydrophobicContact CG2-CG2 4.31Å; V1261-I1264 HydrophobicContact CG1-CG2 3.66Å; I1264-W1272 WeakPolarHBondContact CA-O 3.41Å; I1264-I1273 HydrophobicContact CG2-CG1 4.41Å; I1264-I1273 HydrophobicContact CG2-CG2 4.37Å
1265	L	94.5	Very high	87.6	Confident	22 Å²	22	26.7 Å²	26.7	12%	0.115	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	103.4	179.6	173.7	68.9	0	0	0	110.4	W1272 L1389 M1391 I1401	L1265-W1272 HydrophobicContact CB-CB 4.21Å; L1265-W1272 PolarHBondContact N-O 2.96Å; L1265-W1272 WeakPolarHBondContact O-CB 3.4Å; L1265-W1272 PolarHBondContact O-N 2.94Å; L1265-L1389 HydrophobicContact CB-CB 3.87Å; L1265-L1389 HydrophobicContact CB-CD1 4.36Å; L1265-L1389 HydrophobicContact CD2-CB 3.79Å; L1265-L1389 HydrophobicContact CG-CB 4.48Å; L1265-M1391 HydrophobicContact CD1-CB 4.34Å; L1265-M1391 HydrophobicContact CD2-CB 3.86Å; L1265-I1401 HydrophobicContact CD2-CG2 4.26Å
1266	P	92.5	Very high	89.1	Confident	10 Å²	10	24.4 Å²	24.4	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.4	172.4	34.2	-35	0	0	0	111.9	C1208 L1209 W1215 T1270 L1271	C1208-P1266 HydrophobicContact CB-CG 4.19Å; L1209-P1266 WeakPolarHBondContact O-CG 3.4Å; W1215-P1266 HydrophobicContact CG-CB 4.4Å; P1266-T1270 WeakPolarHBondContact CA-O 3.37Å; P1266-L1271 HydrophobicContact CB-CD1 4.09Å
1267	Y	85.6	Confident	90	Very high	22 Å²	22	23.3 Å²	23.3	9%	0.086	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	122.3	174.8	171.7	-97.6	0	0	0	111.8	N1269 T1270 M1391 K1393 I1399	Y1267-N1269 PolarHBondContact O-N 2.95Å; Y1267-T1270 PolarHBondContact N-O 2.95Å; Y1267-T1270 WeakPolarHBondContact O-CA 3.31Å; Y1267-T1270 WeakPolarHBondContact O-CB 3.33Å; Y1267-T1270 PolarHBondContact O-N 3.39Å; Y1267-T1270 PolarHBondContact O-OG1 2.83Å; Y1267-M1391 HydrophobicContact CD2-CE 3.57Å; Y1267-M1391 HydrophobicContact CD2-CG 4.46Å; Y1267-M1391 HydrophobicContact CD2-SD 3.87Å; Y1267-M1391 HydrophobicContact CE2-CE 4.43Å; Y1267-M1391 HydrophobicContact CE2-SD 4.28Å; Y1267-M1391 HydrophobicContact CG-CE 4.25Å; Y1267-K1393 HydrophobicContact CE2-CD 4.45Å; Y1267-I1399 HydrophobicContact CE1-CD1 3.56Å; Y1267-I1399 HydrophobicContact CE1-CG1 3.84Å; Y1267-I1399 HydrophobicContact CE1-CG2 4.48Å; Y1267-I1399 HydrophobicContact CE2-CG1 4.38Å; Y1267-I1399 WeakPolarHBondContact OH-CG1 3.44Å
1268	D	77.6	Confident	90.6	Very high	79 Å²	79	21.8 Å²	21.8	42%	0.422	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	55.2	166.1	-168.5	17.1	0	0	0	113.4	D1211 T1270	D1211-D1268 WeakPolarHBondContact OD2-CA 3.36Å; D1211-D1268 PolarHBondContact OD2-N 2.67Å; D1268-T1270 PolarHBondContact O-N 2.77Å
1269	N	84.9	Confident	91.1	Very high	51 Å²	51	21.8 Å²	21.8	27%	0.273	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	20.9	-174.8	-53.7	-73.5	0	0	0	114.9	N1212 Y1267 Q1284 I1285	N1212-N1269 PolarHBondContact ND2-OD1 3.36Å; Y1267-N1269 PolarHBondContact O-N 2.95Å; N1269-Q1284 CarbonylContact O-C 3.36Å; N1269-Q1284 PolarHBondContact O-NE2 2.93Å; N1269-I1285 HydrophobicContact CB-CB 4.46Å; N1269-I1285 WeakPolarHBondContact O-CB 3.42Å; N1269-I1285 PolarHBondContact O-N 2.83Å
1270	T	89.6	Confident	91.5	Very high	10 Å²	10	18.6 Å²	18.6	6%	0.061	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.1	161.8	69.9	0	0	0	0	111.6	P1266 Y1267 D1268 W1272 Y1283	P1266-T1270 WeakPolarHBondContact CA-O 3.37Å; Y1267-T1270 PolarHBondContact N-O 2.95Å; Y1267-T1270 WeakPolarHBondContact O-CA 3.31Å; Y1267-T1270 WeakPolarHBondContact O-CB 3.33Å; Y1267-T1270 PolarHBondContact O-N 3.39Å; Y1267-T1270 PolarHBondContact O-OG1 2.83Å; D1268-T1270 PolarHBondContact O-N 2.77Å; T1270-W1272 PolarHBondContact OG1-NE1 3.49Å; T1270-Y1283 CarbonylContact C-O 3.51Å; T1270-Y1283 WeakPolarHBondContact CA-O 3.27Å
1271	L	93.4	Very high	91.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.6	169.2	178.4	66.3	0	0	0	109.5	W1215 I1224 P1266 I1273 V1282 Y1283 I1285 L1373	W1215-L1271 HydrophobicContact CD2-CD1 4.11Å; W1215-L1271 HydrophobicContact CD2-CD2 3.99Å; W1215-L1271 HydrophobicContact CE3-CD2 3.72Å; W1215-L1271 HydrophobicContact CG-CD1 4.2Å; W1215-L1271 HydrophobicContact CH2-CD2 3.87Å; W1215-L1271 HydrophobicContact CZ2-CD2 4.11Å; W1215-L1271 HydrophobicContact CZ3-CD2 3.67Å; I1224-L1271 HydrophobicContact CD1-CD2 3.47Å; I1224-L1271 VanDerWaalsContact CD1-CD2 3.47Å; P1266-L1271 HydrophobicContact CB-CD1 4.09Å; L1271-I1273 HydrophobicContact CD2-CD1 3.95Å; L1271-I1273 HydrophobicContact CD2-CG1 4.26Å; L1271-I1273 HydrophobicContact CG-CD1 4.21Å; L1271-I1273 HydrophobicContact CG-CG1 3.98Å; L1271-V1282 WeakPolarHBondContact O-CA 3.39Å; L1271-Y1283 PolarHBondContact N-O 2.91Å; L1271-Y1283 PolarHBondContact O-N 2.9Å; L1271-I1285 HydrophobicContact CB-CD1 4.34Å; L1271-L1373 HydrophobicContact CD2-CD2 4.36Å
1272	W	94.5	Very high	91.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.3	174.6	-66.6	64.8	0	0	0	110.2	I1264 L1265 T1270 V1280 L1281 V1282 L1389 I1401 W1417 W1427	I1264-W1272 WeakPolarHBondContact CA-O 3.41Å; L1265-W1272 HydrophobicContact CB-CB 4.21Å; L1265-W1272 PolarHBondContact N-O 2.96Å; L1265-W1272 WeakPolarHBondContact O-CB 3.4Å; L1265-W1272 PolarHBondContact O-N 2.94Å; T1270-W1272 PolarHBondContact OG1-NE1 3.49Å; W1272-V1280 HydrophobicContact CE3-CG1 3.61Å; W1272-V1280 HydrophobicContact CZ3-CG1 3.87Å; W1272-L1281 WeakPolarHBondContact CA-O 3.34Å; W1272-V1282 HydrophobicContact CD2-CB 4.46Å; W1272-V1282 HydrophobicContact CD2-CG1 4.21Å; W1272-V1282 HydrophobicContact CD2-CG2 3.47Å; W1272-V1282 VanDerWaalsContact CD2-CG2 3.47Å; W1272-V1282 HydrophobicContact CE3-CG2 3.52Å; W1272-V1282 HydrophobicContact CG-CG1 4.29Å; W1272-V1282 HydrophobicContact CG-CG2 4.09Å; W1272-V1282 HydrophobicContact CH2-CG2 3.86Å; W1272-V1282 HydrophobicContact CZ2-CG1 4.27Å; W1272-V1282 HydrophobicContact CZ2-CG2 3.83Å; W1272-V1282 HydrophobicContact CZ3-CG2 3.71Å; W1272-L1389 HydrophobicContact CB-CD1 3.87Å; W1272-L1389 HydrophobicContact CE3-CD2 4.46Å; W1272-I1401 HydrophobicContact CD2-CD1 4.13Å; W1272-I1401 HydrophobicContact CD2-CG2 4.35Å; W1272-I1401 VanDerWaalsContact CE2-CD1 3.45Å; W1272-I1401 HydrophobicContact CE3-CG2 4.1Å; W1272-I1401 HydrophobicContact CH2-CD1 4.16Å; W1272-I1401 HydrophobicContact CH2-CG2 4.45Å; W1272-I1401 HydrophobicContact CZ2-CD1 3.48Å; W1272-I1401 VanDerWaalsContact CZ2-CD1 3.48Å; W1272-I1401 HydrophobicContact CZ3-CG2 4.16Å; W1272-W1417 HydrophobicContact CH2-CB 4.02Å; W1272-W1417 AromaticContact CH2-CD2 3.93Å; W1272-W1417 HydrophobicContact CH2-CD2 3.93Å; W1272-W1417 AromaticContact CH2-CE3 3.88Å; W1272-W1417 HydrophobicContact CH2-CE3 3.88Å; W1272-W1417 HydrophobicContact CH2-CG 4.02Å; W1272-W1417 HydrophobicContact CZ3-CB 4.3Å; W1272-W1417 AromaticContact CZ3-CD2 3.62Å; W1272-W1417 HydrophobicContact CZ3-CD2 3.62Å; W1272-W1417 AromaticContact CZ3-CE3 3.85Å; W1272-W1417 HydrophobicContact CZ3-CE3 3.85Å; W1272-W1417 AromaticContact CZ3-CG 3.84Å; W1272-W1417 HydrophobicContact CZ3-CG 3.84Å; W1272-W1417 HydrophobicContact CZ3-CZ3 4.4Å; W1272-W1427 HydrophobicContact CH2-CB 4.25Å; W1272-W1427 AromaticContact CH2-CD2 3.76Å; W1272-W1427 HydrophobicContact CH2-CD2 3.76Å; W1272-W1427 AromaticContact CH2-CE3 3.78Å; W1272-W1427 HydrophobicContact CH2-CE3 3.78Å; W1272-W1427 AromaticContact CH2-CG 3.97Å; W1272-W1427 HydrophobicContact CH2-CG 3.97Å; W1272-W1427 HydrophobicContact CH2-CZ3 4.37Å; W1272-W1427 AromaticContact CZ2-CD2 3.52Å; W1272-W1427 HydrophobicContact CZ2-CD2 3.52Å; W1272-W1427 AromaticContact CZ2-CE2 3.63Å; W1272-W1427 AromaticContact CZ2-CE3 3.75Å; W1272-W1427 HydrophobicContact CZ2-CE3 3.75Å; W1272-W1427 AromaticContact CZ2-CG 3.95Å; W1272-W1427 HydrophobicContact CZ2-CG 3.95Å; W1272-W1427 HydrophobicContact CZ2-CH2 4.15Å; W1272-W1427 AromaticContact CZ2-CZ2 3.96Å; W1272-W1427 HydrophobicContact CZ2-CZ2 3.96Å; W1272-W1427 HydrophobicContact CZ2-CZ3 4.06Å
1273	I	95.7	Very high	91.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.9	-175.9	-49.5	-178	0	0	0	108.9	I1224 I1240 V1261 V1263 I1264 L1271 V1280 L1281 Y1283	I1224-I1273 HydrophobicContact CD1-CD1 3.91Å; I1240-I1273 HydrophobicContact CD1-CG2 4.05Å; I1240-I1273 HydrophobicContact CG2-CD1 3.65Å; V1261-I1273 HydrophobicContact CG1-CG2 4.09Å; V1261-I1273 HydrophobicContact CG2-CG2 4.07Å; V1263-I1273 WeakPolarHBondContact O-CA 3.47Å; I1264-I1273 HydrophobicContact CG2-CG1 4.41Å; I1264-I1273 HydrophobicContact CG2-CG2 4.37Å; L1271-I1273 HydrophobicContact CD2-CD1 3.95Å; L1271-I1273 HydrophobicContact CD2-CG1 4.26Å; L1271-I1273 HydrophobicContact CG-CD1 4.21Å; L1271-I1273 HydrophobicContact CG-CG1 3.98Å; I1273-V1280 WeakPolarHBondContact O-CA 3.43Å; I1273-L1281 HydrophobicContact CB-CB 4.35Å; I1273-L1281 PolarHBondContact N-O 3.43Å; I1273-L1281 PolarHBondContact O-N 3.1Å; I1273-Y1283 HydrophobicContact CD1-CD2 3.99Å; I1273-Y1283 HydrophobicContact CD1-CE2 3.93Å
1274	G	94.7	Very high	91.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.8	168.1	0	0	0	0	0	110.2	T1262 V1263	T1262-G1274 PolarHBondContact N-O 3.22Å; T1262-G1274 PolarHBondContact OG1-O 2.82Å; T1262-G1274 VanDerWaalsContact OG1-O 3.11Å; V1263-G1274 PolarHBondContact N-O 2.82Å; V1263-G1274 PolarHBondContact O-N 3.28Å
1275	T	95	Very high	91.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	158.5	179.5	83	0	0	0	0	113.1	I1240 R1260 T1262 M1277 G1278 E1279 L1281 I1386	I1240-T1275 HydrophobicContact CD1-CG2 4.39Å; R1260-T1275 WeakPolarHBondContact O-CA 3.39Å; T1262-T1275 VanDerWaalsContact OG1-C 3.22Å; T1262-T1275 PolarHBondContact OG1-O 3.33Å; T1275-M1277 PolarHBondContact O-N 2.91Å; T1275-M1277 VanDerWaalsContact O-N 3.09Å; T1275-M1277 PolarHBondContact OG1-N 2.97Å; T1275-G1278 PolarHBondContact O-N 2.93Å; T1275-E1279 HydrophobicContact CG2-CB 4.06Å; T1275-E1279 PolarHBondContact N-O 3.37Å; T1275-E1279 WeakPolarHBondContact OG1-CB 3.46Å; T1275-E1279 PolarHBondContact OG1-N 2.98Å; T1275-L1281 HydrophobicContact CG2-CD1 4.07Å; T1275-L1281 HydrophobicContact CG2-CG 4.08Å; T1275-I1386 PolarHBondContact O-N 3.02Å
1276	G	89.4	Confident	90.8	Very high	8 Å²	8	19.3 Å²	19.3	8%	0.082	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-2.3	172.7	0	0	0	0	0	116.4	P1258 R1260	P1258-G1276 CarbonylContact O-C 3.59Å; P1258-G1276 WeakPolarHBondContact O-CA 3.31Å; R1260-G1276 PolarHBondContact NH2-O 3.39Å; R1260-G1276 PolarHBondContact O-N 2.86Å
1277	M	89.3	Confident	90.4	Very high	82 Å²	82	21.8 Å²	21.8	40%	0.404	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	2.8	172.4	-75.3	-59.8	-72.1	0	0	113.5	P1258 Q1259 T1275 E1279 K1380	P1258-M1277 HydrophobicContact CB-CG 3.76Å; P1258-M1277 HydrophobicContact CB-SD 3.53Å; P1258-M1277 VanDerWaalsContact CB-SD 3.53Å; P1258-M1277 PolarHBondContact O-N 2.96Å; Q1259-M1277 HydrophobicContact CG-CG 4.24Å; T1275-M1277 PolarHBondContact O-N 2.91Å; T1275-M1277 VanDerWaalsContact O-N 3.09Å; T1275-M1277 PolarHBondContact OG1-N 2.97Å; M1277-E1279 HydrophobicContact CB-CG 4.32Å; M1277-K1380 PolarHBondContact O-NZ 3.32Å
1278	G	89.6	Confident	90.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	77.3	26.5	-174.9	0	0	0	0	0	113.5	T1275 V1381 A1382 T1384	T1275-G1278 PolarHBondContact O-N 2.93Å; G1278-V1381 PolarHBondContact O-N 3.44Å; G1278-A1382 WeakPolarHBondContact CA-O 3.37Å; G1278-A1382 PolarHBondContact O-N 3.02Å; G1278-A1382 VanDerWaalsContact O-N 3.12Å; G1278-T1384 WeakPolarHBondContact CA-O 3.37Å
1279	E	92.8	Very high	90.2	Very high	19 Å²	19	28.1 Å²	28.1	9%	0.089	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.7	170.5	-51.6	-179.9	98.8	0	0	111	T1275 M1277 R1378 S1379 K1380 I1386	T1275-E1279 HydrophobicContact CG2-CB 4.06Å; T1275-E1279 PolarHBondContact N-O 3.37Å; T1275-E1279 WeakPolarHBondContact OG1-CB 3.46Å; T1275-E1279 PolarHBondContact OG1-N 2.98Å; M1277-E1279 HydrophobicContact CB-CG 4.32Å; E1279-R1378 VanDerWaalsContact CD-NH2 3.33Å; E1279-R1378 IonicContact OE1-CZ 3.17Å; E1279-R1378 IonicContact OE1-NE 2.75Å; E1279-R1378 PolarHBondContact OE1-NE 2.79Å; E1279-R1378 IonicContact OE1-NH2 2.71Å; E1279-R1378 PolarHBondContact OE1-NH2 3.28Å; E1279-R1378 IonicContact OE2-CZ 3.97Å; E1279-R1378 IonicContact OE2-NH2 3.64Å; E1279-R1378 PolarHBondContact OE2-NH2 2.93Å; E1279-R1378 VanDerWaalsContact OE2-NH2 3.08Å; E1279-S1379 CarbonylContact C-O 3.6Å; E1279-S1379 VanDerWaalsContact CA-O 3.27Å; E1279-S1379 WeakPolarHBondContact CA-O 3.13Å; E1279-K1380 HydrophobicContact CG-CB 4.4Å; E1279-K1380 HydrophobicContact CG-CD 4.19Å; E1279-I1386 WeakPolarHBondContact O-CG1 3.37Å
1280	V	93.4	Very high	89.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.8	163.1	176.6	0	0	0	0	108.3	W1272 I1273 V1282 S1379 V1381 I1386 L1389 W1417	W1272-V1280 HydrophobicContact CE3-CG1 3.61Å; W1272-V1280 HydrophobicContact CZ3-CG1 3.87Å; I1273-V1280 WeakPolarHBondContact O-CA 3.43Å; V1280-V1282 HydrophobicContact CG1-CG2 4.42Å; V1280-S1379 PolarHBondContact N-O 2.91Å; V1280-S1379 PolarHBondContact O-N 3.48Å; V1280-V1381 HydrophobicContact CG2-CG2 3.87Å; V1280-I1386 HydrophobicContact CG2-CD1 4.42Å; V1280-I1386 HydrophobicContact CG2-CG1 4.05Å; V1280-I1386 HydrophobicContact CG2-CG2 4.39Å; V1280-L1389 HydrophobicContact CG2-CD2 4.49Å; V1280-W1417 HydrophobicContact CB-CH2 4.13Å; V1280-W1417 HydrophobicContact CB-CZ2 3.81Å; V1280-W1417 HydrophobicContact CG1-CH2 4.24Å; V1280-W1417 HydrophobicContact CG1-CZ2 3.96Å; V1280-W1417 HydrophobicContact CG2-CZ2 3.88Å
1281	L	93.7	Very high	87.5	Confident	10 Å²	10	35.3 Å²	35.3	5%	0.052	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	143.1	173	-48.8	-179.8	0	0	0	109.3	I1240 W1272 I1273 T1275 Y1283 V1377 R1378	I1240-L1281 HydrophobicContact CB-CD1 4.23Å; I1240-L1281 HydrophobicContact CD1-CD1 4.04Å; I1240-L1281 HydrophobicContact CG1-CD1 4.36Å; W1272-L1281 WeakPolarHBondContact CA-O 3.34Å; I1273-L1281 HydrophobicContact CB-CB 4.35Å; I1273-L1281 PolarHBondContact N-O 3.43Å; I1273-L1281 PolarHBondContact O-N 3.1Å; T1275-L1281 HydrophobicContact CG2-CD1 4.07Å; T1275-L1281 HydrophobicContact CG2-CG 4.08Å; L1281-Y1283 HydrophobicContact CB-CD2 4.48Å; L1281-Y1283 HydrophobicContact CB-CE2 3.9Å; L1281-Y1283 HydrophobicContact CD1-CE2 4.16Å; L1281-V1377 WeakPolarHBondContact CA-O 3.49Å; L1281-R1378 HydrophobicContact CD2-CB 3.94Å; L1281-R1378 HydrophobicContact CD2-CG 3.67Å
1282	V	92.3	Very high	85.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.3	173.1	-170	0	0	0	0	109.7	L1271 W1272 V1280 I1376 V1377	L1271-V1282 WeakPolarHBondContact O-CA 3.39Å; W1272-V1282 HydrophobicContact CD2-CB 4.46Å; W1272-V1282 HydrophobicContact CD2-CG1 4.21Å; W1272-V1282 HydrophobicContact CD2-CG2 3.47Å; W1272-V1282 VanDerWaalsContact CD2-CG2 3.47Å; W1272-V1282 HydrophobicContact CE3-CG2 3.52Å; W1272-V1282 HydrophobicContact CG-CG1 4.29Å; W1272-V1282 HydrophobicContact CG-CG2 4.09Å; W1272-V1282 HydrophobicContact CH2-CG2 3.86Å; W1272-V1282 HydrophobicContact CZ2-CG1 4.27Å; W1272-V1282 HydrophobicContact CZ2-CG2 3.83Å; W1272-V1282 HydrophobicContact CZ3-CG2 3.71Å; V1280-V1282 HydrophobicContact CG1-CG2 4.42Å; V1282-I1376 PolarHBondContact O-N 2.66Å; V1282-V1377 HydrophobicContact CB-CB 3.85Å; V1282-V1377 HydrophobicContact CB-CG2 4.05Å; V1282-V1377 HydrophobicContact CG2-CB 3.88Å; V1282-V1377 HydrophobicContact CG2-CG1 4.5Å; V1282-V1377 HydrophobicContact CG2-CG2 4.19Å; V1282-V1377 PolarHBondContact N-O 2.66Å; V1282-V1377 PolarHBondContact O-N 2.63Å; V1282-V1377 VanDerWaalsContact O-N 3.16Å
1283	Y	92.8	Very high	82.4	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.2	175.6	-67	-96.5	0	0	0	110.4	F1238 I1240 E1243 T1270 L1271 I1273 L1281 L1373 Q1374 K1375	F1238-Y1283 HydrophobicContact CE1-CD1 4.39Å; F1238-Y1283 AromaticContact CE1-CE1 3.79Å; F1238-Y1283 HydrophobicContact CE1-CE1 3.79Å; F1238-Y1283 HydrophobicContact CZ-CD1 4.43Å; F1238-Y1283 AromaticContact CZ-CE1 3.85Å; F1238-Y1283 HydrophobicContact CZ-CE1 3.85Å; I1240-Y1283 HydrophobicContact CG2-CE2 4.47Å; E1243-Y1283 VanDerWaalsContact OE1-CE1 3.31Å; E1243-Y1283 WeakPolarHBondContact OE1-CE1 3.42Å; E1243-Y1283 PolarHBondContact OE1-OH 2.86Å; T1270-Y1283 CarbonylContact C-O 3.51Å; T1270-Y1283 WeakPolarHBondContact CA-O 3.27Å; L1271-Y1283 PolarHBondContact N-O 2.91Å; L1271-Y1283 PolarHBondContact O-N 2.9Å; I1273-Y1283 HydrophobicContact CD1-CD2 3.99Å; I1273-Y1283 HydrophobicContact CD1-CE2 3.93Å; L1281-Y1283 HydrophobicContact CB-CD2 4.48Å; L1281-Y1283 HydrophobicContact CB-CE2 3.9Å; L1281-Y1283 HydrophobicContact CD1-CE2 4.16Å; Y1283-L1373 HydrophobicContact CD1-CB 4.03Å; Y1283-L1373 HydrophobicContact CG-CD2 4.29Å; Y1283-Q1374 CarbonylContact C-O 3.54Å; Y1283-Q1374 VanDerWaalsContact CA-O 3.31Å; Y1283-Q1374 WeakPolarHBondContact CA-O 3.23Å; Y1283-K1375 HydrophobicContact CD1-CB 3.83Å; Y1283-K1375 HydrophobicContact CD1-CG 4.48Å; Y1283-K1375 HydrophobicContact CE1-CB 3.57Å; Y1283-K1375 HydrophobicContact CE1-CD 4.46Å; Y1283-K1375 HydrophobicContact CE1-CG 4.14Å
1284	Q	90.8	Very high	79.4	Confident	47 Å²	47	61.7 Å²	61.7	22%	0.22	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.9	160	-164.1	63.9	38.2	0	0	109	N1269 L1373 Q1374 I1376	N1269-Q1284 CarbonylContact O-C 3.36Å; N1269-Q1284 PolarHBondContact O-NE2 2.93Å; Q1284-L1373 CarbonylContact O-C 3.51Å; Q1284-L1373 VanDerWaalsContact O-CA 3.29Å; Q1284-L1373 WeakPolarHBondContact O-CA 3.47Å; Q1284-Q1374 PolarHBondContact N-O 2.87Å; Q1284-Q1374 PolarHBondContact O-N 3.21Å; Q1284-I1376 HydrophobicContact CB-CD1 3.75Å; Q1284-I1376 HydrophobicContact CB-CG1 4.07Å; Q1284-I1376 HydrophobicContact CG-CD1 4.48Å
1285	I	91.2	Very high	76.5	Confident	7 Å²	7	70.6 Å²	70.6	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.1	173.4	-54.2	160.8	0	0	0	107.1	W1215 N1269 L1271 T1287 Y1371 L1373	W1215-I1285 HydrophobicContact CZ2-CD1 3.72Å; W1215-I1285 HydrophobicContact CZ2-CG1 4.29Å; N1269-I1285 HydrophobicContact CB-CB 4.46Å; N1269-I1285 WeakPolarHBondContact O-CB 3.42Å; N1269-I1285 PolarHBondContact O-N 2.83Å; L1271-I1285 HydrophobicContact CB-CD1 4.34Å; I1285-T1287 HydrophobicContact CG2-CG2 4.32Å; I1285-Y1371 HydrophobicContact CG2-CD1 4.12Å; I1285-L1373 HydrophobicContact CG1-CD2 3.87Å
1286	H	87.9	Confident	73.4	Confident	58 Å²	58	76.2 Å²	76.2	27%	0.269	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.8	170.7	-57.5	93.2	0	0	0	109.9	Y1288 Y1371 E1372 Q1374	H1286-Y1288 HydrophobicContact CB-CE2 3.95Å; H1286-Y1371 CarbonylContact O-C 3.57Å; H1286-Y1371 WeakPolarHBondContact O-CA 3.47Å; H1286-E1372 HydrophobicContact CB-CB 4.33Å; H1286-E1372 PolarHBondContact N-O 3.24Å; H1286-E1372 PolarHBondContact O-N 2.9Å; H1286-Q1374 PolarHBondContact CE1-OE1 3.49Å; H1286-Q1374 VanDerWaalsContact CE1-OE1 3.25Å
1287	T	84.6	Confident	70.7	Confident	62 Å²	62	82.6 Å²	82.6	38%	0.38	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.1	-176.6	53.6	0	0	0	0	111.1	N1212 I1285 I1370 Y1371	N1212-T1287 WeakPolarHBondContact OD1-CG2 3.49Å; I1285-T1287 HydrophobicContact CG2-CG2 4.32Å; T1287-I1370 WeakPolarHBondContact CA-O 3.46Å; T1287-Y1371 HydrophobicContact CG2-CD1 3.6Å; T1287-Y1371 HydrophobicContact CG2-CE1 3.54Å
1288	Y	82.1	Confident	67.8	Low	112 Å²	112	88.1 Å²	88.1	44%	0.439	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.8	-177.3	-49.3	-80.5	0	0	0	110.7	H1286 Y1369 I1370 E1372	H1286-Y1288 HydrophobicContact CB-CE2 3.95Å; Y1288-Y1369 CarbonylContact O-C 3.57Å; Y1288-Y1369 VanDerWaalsContact O-CA 3.29Å; Y1288-Y1369 WeakPolarHBondContact O-CA 3.35Å; Y1288-I1370 PolarHBondContact N-O 3.26Å; Y1288-I1370 PolarHBondContact O-N 3.25Å; Y1288-E1372 HydrophobicContact CE2-CB 3.87Å; Y1288-E1372 VanDerWaalsContact CE2-OE2 3.27Å; Y1288-E1372 WeakPolarHBondContact CE2-OE2 3Å; Y1288-E1372 PolarHBondContact OH-OE2 3.5Å
1289	Q	76.9	Confident	65.1	Low	122 Å²	122	91 Å²	91	57%	0.57	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	129	177.3	-166.7	170.8	-11.5	0	0	111.3	T1291 N1368 Y1369	Q1289-T1291 PolarHBondContact O-N 3.07Å; Q1289-N1368 CarbonylContact C-O 3.59Å; Q1289-N1368 WeakPolarHBondContact CA-O 3.38Å; Q1289-Y1369 HydrophobicContact CB-CD1 3.96Å; Q1289-Y1369 HydrophobicContact CB-CE1 3.71Å; Q1289-Y1369 HydrophobicContact CG-CD1 4.29Å; Q1289-Y1369 HydrophobicContact CG-CE1 3.81Å
1290	K	66.3	Low	62.2	Low	82 Å²	82	96.8 Å²	96.8	36%	0.357	50%	0.495	S	S	.	.			trans	-64.9	115.3	172.4	-69.3	177.6	-176.4	153	0	109.2	E1292 I1365 S1367 N1368 I1370	K1290-E1292 PolarHBondContact O-N 3.37Å; K1290-I1365 PolarHBondContact NZ-O 2.88Å; K1290-S1367 WeakPolarHBondContact CD-O 3.48Å; K1290-S1367 WeakPolarHBondContact CE-O 3.32Å; K1290-S1367 PolarHBondContact NZ-O 2.86Å; K1290-S1367 PolarHBondContact NZ-OG 2.64Å; K1290-N1368 PolarHBondContact N-O 2.85Å; K1290-I1370 HydrophobicContact CG-CD1 4.11Å; K1290-I1370 HydrophobicContact CG-CG1 4.01Å
1291	T	51.9	Low	59	Low	130 Å²	130	103.9 Å²	103.9	80%	0.798	53%	0.531	S	S	*	.			trans	-86.2	105	175.7	42.6	0	0	0	0	110.7	Q1289 K1293	Q1289-T1291 PolarHBondContact O-N 3.07Å; T1291-K1293 PolarHBondContact O-N 2.84Å; T1291-K1293 VanDerWaalsContact O-N 3.11Å
1292	E	44.2	Very low	56	Low	168 Å²	168	112.8 Å²	112.8	79%	0.785	57%	0.573	S	S	*	*			trans	-65.5	109.6	172.8	-70.7	-166.2	151.8	0	0	111.1	K1290 K1294	K1290-E1292 PolarHBondContact O-N 3.37Å; E1292-K1294 VanDerWaalsContact C-N 3.26Å; E1292-K1294 PolarHBondContact O-N 3.45Å
1293	K	36.7	Very low	52.8	Low	201 Å²	201	120.7 Å²	120.7	87%	0.874	61%	0.611	S	S	*	*			trans	-71.5	84.3	163.8	-77.2	-172	174.9	-179.5	0	109.7	T1291 K1295	T1291-K1293 PolarHBondContact O-N 2.84Å; T1291-K1293 VanDerWaalsContact O-N 3.11Å; K1293-K1295 PolarHBondContact O-N 3.08Å
1294	K	31.9	Very low	49.8	Very low	186 Å²	186	127.6 Å²	127.6	81%	0.809	65%	0.654	S	S	*	*			trans	-52.8	105.2	167.4	-81.8	-174.6	173.3	179.7	0	110	E1292 S1296	E1292-K1294 VanDerWaalsContact C-N 3.26Å; E1292-K1294 PolarHBondContact O-N 3.45Å; K1294-S1296 PolarHBondContact O-N 3.17Å
1295	K	33.1	Very low	46.7	Very low	187 Å²	187	135.7 Å²	135.7	81%	0.813	68%	0.682	S	S	*	*			trans	-78	95.5	163.1	-80.4	-173.2	173.1	-177.2	0	108.6	K1293 L1297	K1293-K1295 PolarHBondContact O-N 3.08Å; K1295-L1297 PolarHBondContact O-N 3.44Å
1296	S	29.7	Very low	43.7	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	71%	0.713	S	S	*	*			trans	-61.2	125	157	50	0	0	0	0	108.8	K1294	K1294-S1296 PolarHBondContact O-N 3.17Å
1297	L	32.9	Very low	40.8	Very low	142 Å²	142	147.9 Å²	147.9	74%	0.743	74%	0.736	S	S	*	*			trans	-148.2	69.6	-179.6	-148	156.5	0	0	0	111	K1295	K1295-L1297 PolarHBondContact O-N 3.44Å
1298	E	29.1	Very low	38	Very low	199 Å²	199	155.8 Å²	155.8	93%	0.93	76%	0.759	S	S	*	*			trans	-75.1	140.8	152.5	-60.9	-179.6	134.9	0	0	107.9
1299	G	32.6	Very low	35.3	Very low	61 Å²	61	155.4 Å²	155.4	63%	0.629	77%	0.773	S	S	*	*			trans	139.5	62	178.1	0	0	0	0	0	116.7
1300	T	31.6	Very low	33	Very low	140 Å²	140	156.1 Å²	156.1	86%	0.859	79%	0.786	S	S	*	*			trans	34.4	119.1	147	-47.3	0	0	0	0	121.3
1301	I	26.6	Very low	31	Very low	149 Å²	149	157.3 Å²	157.3	76%	0.764	81%	0.805	S	S	*	*			trans	-45.9	137.3	166.9	-62.5	151.3	0	0	0	115.3
1302	Q	31.6	Very low	29.8	Very low	197 Å²	197	158.2 Å²	158.2	92%	0.921	80%	0.804	S	S	*	*				-161.3	164.6	125.4	-108.2	-179	25.6	0	0	112.8
1303	M	24.7	Very low	28.9	Very low	166 Å²	166	159.9 Å²	159.9	82%	0.818	81%	0.808	S	S	*	*			trans	-116.2	151.1	-164.2	-62	-167.9	-71.9	0	0	113.9
1304	T	30	Very low	28.4	Very low	146 Å²	146	156.9 Å²	156.9	90%	0.896	80%	0.802	S	S	*	*				-174.9	176.2	115.6	24.3	0	0	0	0	113.8
1305	R	24.8	Very low	28.3	Very low	216 Å²	216	156 Å²	156	82%	0.815	80%	0.801	S	S	*	*			trans	-77.4	168.1	-173.1	-54.6	165.7	170	157.5	-4.7	111.5
1306	H	29.3	Very low	28.2	Very low	145 Å²	145	152.7 Å²	152.7	67%	0.671	79%	0.791	S	S	*	*			cis	-163.2	152.7	29.6	-114.9	-39.6	0	0	0	114.6
1307	K	27.5	Very low	28.1	Very low	177 Å²	177	154.8 Å²	154.8	77%	0.77	79%	0.788	S	S	*	*			trans	51.3	121	144.6	-74.2	177.2	177	174.4	0	123.6
1308	R	24.8	Very low	27.9	Very low	227 Å²	227	155.4 Å²	155.4	86%	0.857	79%	0.791	S	S	*	*			trans	73.7	117.9	137.3	-76.7	-172.1	171.8	175.8	-3.4	121.4
1309	S	26.1	Very low	28	Very low	104 Å²	104	153.6 Å²	153.6	73%	0.727	79%	0.786	S	S	*	*			trans	42.1	127	139.6	60.9	0	0	0	0	119.4
1310	T	27.3	Very low	27.8	Very low	138 Å²	138	153.7 Å²	153.7	85%	0.847	79%	0.787	S	S	*	*				-153.4	-176.7	56.6	40.5	0	0	0	0	114.4
1311	S	25.3	Very low	27.7	Very low	107 Å²	107	156 Å²	156	75%	0.748	79%	0.788	S	S	*	*			trans	-38	130.2	172	-176.7	0	0	0	0	116.5
1312	L	25.7	Very low	27.8	Very low	148 Å²	148	155 Å²	155	78%	0.775	79%	0.789	S	S	*	*				-176.2	125.6	121.8	-106.2	163.2	0	0	0	112
1313	K	25.9	Very low	27.6	Very low	204 Å²	204	152.3 Å²	152.3	89%	0.887	79%	0.786	S	S	*	*			trans	-171.9	94.3	136.3	-110.3	-174.5	179	-168.5	0	111.1
1314	D	26.2	Very low	27.7	Very low	138 Å²	138	155.7 Å²	155.7	74%	0.738	79%	0.79	S	S	*	*			trans	-71.6	177.1	144.9	-79.8	-64	0	0	0	109.8
1315	E	30.4	Very low	27.5	Very low	167 Å²	167	158.7 Å²	158.7	78%	0.78	79%	0.791	S	S	*	*			trans	78.1	130.2	169.7	-51.2	-154.6	136.4	0	0	118.4
1316	L	29.8	Very low	27.6	Very low	118 Å²	118	155.3 Å²	155.3	62%	0.618	79%	0.794	S	S	*	*			cis	-156.2	145.4	-8.3	-111.6	173	0	0	0	111.8
1317	Q	29.1	Very low	27.5	Very low	161 Å²	161	156.5 Å²	156.5	75%	0.752	81%	0.805	S	S	*	*			trans	39.7	112.9	144.5	-84.2	171.9	6.8	0	0	122.6
1318	L	28.9	Very low	27.6	Very low	156 Å²	156	155.5 Å²	155.5	82%	0.817	81%	0.807	S	S	*	*				173.3	139	104.8	-119.8	68.7	0	0	0	108
1319	I	30.9	Very low	27.7	Very low	161 Å²	161	155 Å²	155	83%	0.826	81%	0.811	S	S	*	*			cis	-126.3	156.8	-9.2	-64.5	162.9	0	0	0	105.8
1320	G	27.4	Very low	27.7	Very low	63 Å²	63	154.8 Å²	154.8	65%	0.649	81%	0.81	S	S	*	*			trans	-162.3	162.9	161.4	0	0	0	0	0	112.5
1321	E	28.9	Very low	27.7	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	81%	0.805	S	S	*	*			trans	-163.8	165.4	143.7	-119.4	-178.5	171.2	0	0	112.9
1322	T	29.7	Very low	27.8	Very low	127 Å²	127	160.7 Å²	160.7	78%	0.779	81%	0.814	S	S	*	*			trans	71.4	74.3	166.1	-37.1	0	0	0	0	118.7
1323	T	26.8	Very low	27.9	Very low	141 Å²	141	159.3 Å²	159.3	87%	0.865	82%	0.815	S	S	*	*			trans	-148.5	150.7	137.4	-20.4	0	0	0	0	111.2
1324	R	27.6	Very low	28.2	Very low	238 Å²	238	155.3 Å²	155.3	90%	0.898	81%	0.81	S	S	*	*			trans	61.9	88.3	177.4	-70.5	-171.6	164.6	115.5	0.3	117.7
1325	K	25.8	Very low	28.5	Very low	208 Å²	208	154 Å²	154	90%	0.904	81%	0.811	S	S	*	*			trans	-143.4	59.2	152.2	-107	-167	-174.8	174.2	0	113.3
1326	T	27.4	Very low	28.5	Very low	145 Å²	145	153.4 Å²	153.4	89%	0.89	81%	0.814	S	S	*	*			trans	-160.9	93.2	159.2	12.8	0	0	0	0	112.7
1327	L	26.6	Very low	29	Very low	170 Å²	170	152.6 Å²	152.6	89%	0.89	82%	0.816	S	S	*	*			trans	-156.2	149.7	152.6	-119.7	160.3	0	0	0	106.9
1328	L	28.7	Very low	29	Very low	156 Å²	156	151.9 Å²	151.9	82%	0.817	82%	0.817	S	S	*	*			trans	65.9	71.8	-174.5	-65.8	161.3	0	0	0	116.5
1329	K	27.4	Very low	29.2	Very low	216 Å²	216	150.5 Å²	150.5	94%	0.939	82%	0.815	S	S	*	*			trans	-136.8	91.6	134	-96.4	-166.2	177	-177.3	0	110.3
1330	S	26	Very low	29	Very low	101 Å²	101	147 Å²	147	71%	0.706	80%	0.804	S	S	*	*			trans	-86.4	165.9	147.1	59.6	0	0	0	0	107.7
1331	T	27	Very low	29.1	Very low	123 Å²	123	152.6 Å²	152.6	76%	0.755	81%	0.813	S	S	*	*			cis	-140.9	162.4	16.2	49.6	0	0	0	0	111.3
1332	R	27.5	Very low	29.2	Very low	246 Å²	246	150.8 Å²	150.8	93%	0.928	81%	0.808	S	S	*	*			trans	-161.5	97.4	140.5	-115.6	-177.3	-173.2	-163.8	1.8	111.2
1333	C	27.7	Very low	29.5	Very low	119 Å²	119	149.7 Å²	149.7	80%	0.804	80%	0.803	S	S	*	*			trans	-101	155.2	156.9	-57.3	0	0	0	0	108.4
1334	P	33.4	Very low	29.5	Very low	119 Å²	119	149 Å²	149	77%	0.773	79%	0.794	S	S	*	*			trans	-78	136.9	168.4	-12	29.2	0	0	0	112.5
1335	S	32.2	Very low	29.6	Very low	110 Å²	110	145.7 Å²	145.7	77%	0.769	79%	0.786	S	S	*	*			trans	48.5	87.3	151.3	52.3	0	0	0	0	120.9
1336	N	30.8	Very low	29.6	Very low	156 Å²	156	142.2 Å²	142.2	83%	0.834	78%	0.778	S	S	*	*				2.7	167.4	114.7	-89.9	29	0	0	0	120.6
1337	P	38.9	Very low	29.8	Very low	101 Å²	101	141.1 Å²	141.1	66%	0.656	77%	0.773	S	S	*	*			cis	-130.6	-168.5	-25.2	39.6	-20.9	0	0	0	110.9
1338	D	29.9	Very low	29.7	Very low	146 Å²	146	141 Å²	141	78%	0.781	77%	0.768	S	S	*	*			cis	-163.8	179.7	22.2	-130.2	-29.5	0	0	0	107.6
1339	V	32	Very low	29.7	Very low	126 Å²	126	139.4 Å²	139.4	76%	0.764	77%	0.767	S	S	*	*			cis	-148.4	-165.1	2	79.8	0	0	0	0	108.8
1340	S	26.5	Very low	29.5	Very low	87 Å²	87	136.2 Å²	136.2	61%	0.608	76%	0.759	S	S	*	*			trans	-132.1	157.6	-175.6	60.2	0	0	0	0	116
1341	H	31.4	Very low	29.6	Very low	182 Å²	182	141.2 Å²	141.2	84%	0.843	77%	0.769	S	S	*	*			trans	-176.6	172.9	136.3	-99.2	-61.2	0	0	0	114.4
1342	I	29.4	Very low	29.4	Very low	150 Å²	150	145.4 Å²	145.4	77%	0.769	77%	0.772	S	S	*	*			trans	-161.4	151.4	-151.9	-93	153.4	0	0	0	107.8
1343	P	36.5	Very low	29.5	Very low	104 Å²	104	139.3 Å²	139.3	68%	0.675	77%	0.765	S	S	*	*			cis	-151.5	-170.3	41.5	41.6	-18.3	0	0	0	119.7
1344	D	27.4	Very low	29.4	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	76%	0.763	S	S	*	*			trans	77.6	127.4	139.2	-88.9	26.3	0	0	0	127
1345	K	28.2	Very low	28.9	Very low	168 Å²	168	145.4 Å²	145.4	73%	0.73	77%	0.765	S	S	*	*			trans	70.2	148.9	142.1	-66.4	-178.6	-179.3	-167.2	0	120.3
1346	D	25.8	Very low	28.8	Very low	135 Å²	135	149.8 Å²	149.8	72%	0.722	77%	0.773	S	S	*	*			cis	-164.1	175.2	-6.6	-94.8	-27.4	0	0	0	106.1
1347	P	31.7	Very low	28.3	Very low	122 Å²	122	149 Å²	149	79%	0.792	77%	0.769	S	S	*	*			cis	-128.9	-169.3	-14.6	41.8	-24.5	0	0	0	114
1348	E	25.8	Very low	27.6	Very low	166 Å²	166	149.3 Å²	149.3	78%	0.776	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-78.7	154.6	173.7	-54.1	177.7	135.4	0	0	115
1349	P	27.8	Very low	27.4	Very low	123 Å²	123	150.5 Å²	150.5	80%	0.799	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-90.9	118.4	154.7	33.6	-28	0	0	0	111.6	F1351	P1349-F1351 PolarHBondContact O-N 3.5Å
1350	L	23.7	Very low	27.1	Very low	149 Å²	149	150.5 Å²	150.5	78%	0.78	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.9	121.6	-176	-71.2	133.6	0	0	0	113.9
1351	F	27.1	Very low	27.2	Very low	206 Å²	206	153.3 Å²	153.3	90%	0.904	78%	0.781	S	S	*	*			trans	-142.6	88	156	-96	-72	0	0	0	112.7	P1349	P1349-F1351 PolarHBondContact O-N 3.5Å
1352	Y	24.4	Very low	27	Very low	212 Å²	212	150.9 Å²	150.9	83%	0.831	77%	0.77	S	S	*	*			trans	-108.9	133.8	157.9	-98	-85.5	0	0	0	109.4
1353	P	29.9	Very low	27	Very low	118 Å²	118	150.6 Å²	150.6	77%	0.766	77%	0.766	S	S	*	*			trans	-102	136.9	140.2	32.3	-29	0	0	0	110
1354	L	24.6	Very low	27	Very low	146 Å²	146	150 Å²	150	76%	0.764	77%	0.769	S	S	*	*			trans	-85.2	149	-176.5	-83	141.2	0	0	0	112.7
1355	R	23.5	Very low	27.6	Very low	220 Å²	220	149.3 Å²	149.3	83%	0.83	76%	0.764	S	S	*	*			trans	57.6	108.2	154.7	-63.2	171.4	-178.9	-174.2	0.8	117.9
1356	Q	28.4	Very low	28.4	Very low	201 Å²	201	146.6 Å²	146.6	94%	0.939	76%	0.758	S	S	*	*				-123.8	118.2	120.5	-82.9	-168.7	-22.9	0	0	109.8
1357	N	22.2	Very low	29.7	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	73%	0.734	S	S	*	*			trans	-80.5	168.5	158.2	-81.9	-11.6	0	0	0	109
1358	S	23.9	Very low	31.2	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	72%	0.719	S	S	*	*			trans	53.4	69.4	158.1	59.4	0	0	0	0	116.9
1359	L	25.7	Very low	33.4	Very low	171 Å²	171	136.7 Å²	136.7	90%	0.895	70%	0.7	S	S	*	*				-141	83.3	127.3	-114	168.4	0	0	0	108.8	L1361	L1359-L1361 PolarHBondContact O-N 2.74Å
1360	I	24.7	Very low	35.7	Very low	126 Å²	126	135.2 Å²	135.2	65%	0.646	68%	0.684	S	S	*	*			trans	-70.9	108	176.1	-57.9	175.4	0	0	0	106.9	E1362	I1360-E1362 HydrophobicContact CG2-CB 3.95Å; I1360-E1362 HydrophobicContact CG2-CG 3.98Å; I1360-E1362 PolarHBondContact O-N 2.79Å
1361	L	28.1	Very low	38.7	Very low	146 Å²	146	130 Å²	130	76%	0.764	65%	0.654	S	S	*	*			trans	-81	64.8	177.8	-136.3	173	0	0	0	109.9	L1359 H1363	L1359-L1361 PolarHBondContact O-N 2.74Å; L1361-H1363 HydrophobicContact CD2-CB 4.2Å; L1361-H1363 PolarHBondContact O-N 2.83Å
1362	E	27.5	Very low	41.5	Very low	131 Å²	131	124.4 Å²	124.4	61%	0.612	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-67.5	-2.6	-169.1	-140.5	158.4	-136.4	0	0	114	I1360 A1364	I1360-E1362 HydrophobicContact CG2-CB 3.95Å; I1360-E1362 HydrophobicContact CG2-CG 3.98Å; I1360-E1362 PolarHBondContact O-N 2.79Å; E1362-A1364 VanDerWaalsContact C-N 3.34Å; E1362-A1364 PolarHBondContact O-N 3.02Å
1363	H	30.1	Very low	44.7	Very low	144 Å²	144	114.9 Å²	114.9	67%	0.667	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-83.3	-3.7	-167.9	-69.7	51.1	0	0	0	114.4	L1361 I1365	L1361-H1363 HydrophobicContact CD2-CB 4.2Å; L1361-H1363 PolarHBondContact O-N 2.83Å; H1363-I1365 PolarHBondContact O-N 2.88Å
1364	A	36.5	Very low	47.5	Very low	91 Å²	91	114.6 Å²	114.6	75%	0.752	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-75.2	0.9	176.8	0	0	0	0	0	114.4	E1362	E1362-A1364 VanDerWaalsContact C-N 3.34Å; E1362-A1364 PolarHBondContact O-N 3.02Å
1365	I	40.8	Very low	50.6	Low	113 Å²	113	110.9 Å²	110.9	58%	0.579	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-94.4	-19.3	-171.5	-63.9	176.8	0	0	0	112.9	K1290 H1363 S1367	K1290-I1365 PolarHBondContact NZ-O 2.88Å; H1363-I1365 PolarHBondContact O-N 2.88Å; I1365-S1367 VanDerWaalsContact C-N 3.33Å; I1365-S1367 PolarHBondContact O-N 2.91Å; I1365-S1367 VanDerWaalsContact O-N 3.13Å
1366	N	43.9	Very low	53.7	Low	110 Å²	110	103.6 Å²	103.6	59%	0.588	54%	0.537	S	S	*	.			trans	-81.3	16.6	-164.8	-84.3	0.8	0	0	0	117.4	R1231	R1231-N1366 PolarHBondContact NH1-O 3.14Å
1367	S	53.8	Low	56.5	Low	31 Å²	31	94.9 Å²	94.9	22%	0.217	50%	0.498	C	S	.	.			trans	-73	126.9	161	68.1	0	0	0	0	109.3	K1290 I1365 Y1369	K1290-S1367 WeakPolarHBondContact CD-O 3.48Å; K1290-S1367 WeakPolarHBondContact CE-O 3.32Å; K1290-S1367 PolarHBondContact NZ-O 2.86Å; K1290-S1367 PolarHBondContact NZ-OG 2.64Å; I1365-S1367 VanDerWaalsContact C-N 3.33Å; I1365-S1367 PolarHBondContact O-N 2.91Å; I1365-S1367 VanDerWaalsContact O-N 3.13Å; S1367-Y1369 WeakPolarHBondContact CB-O 3.09Å; S1367-Y1369 PolarHBondContact O-N 3.45Å; S1367-Y1369 PolarHBondContact OG-O 3.37Å
1368	N	63.5	Low	59.7	Low	92 Å²	92	94.9 Å²	94.9	49%	0.492	49%	0.487	S	S	.	.	S	Bend	trans	-71.4	-8.1	171.4	-76.6	9.5	0	0	0	112.3	Q1289 K1290	Q1289-N1368 CarbonylContact C-O 3.59Å; Q1289-N1368 WeakPolarHBondContact CA-O 3.38Å; K1290-N1368 PolarHBondContact N-O 2.85Å
1369	Y	71.1	Confident	62.8	Low	93 Å²	93	91.3 Å²	91.3	37%	0.365	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.2	-176.3	-59	-84.3	0	0	0	111.4	Y1288 Q1289 S1367	Y1288-Y1369 CarbonylContact O-C 3.57Å; Y1288-Y1369 VanDerWaalsContact O-CA 3.29Å; Y1288-Y1369 WeakPolarHBondContact O-CA 3.35Å; Q1289-Y1369 HydrophobicContact CB-CD1 3.96Å; Q1289-Y1369 HydrophobicContact CB-CE1 3.71Å; Q1289-Y1369 HydrophobicContact CG-CD1 4.29Å; Q1289-Y1369 HydrophobicContact CG-CE1 3.81Å; S1367-Y1369 WeakPolarHBondContact CB-O 3.09Å; S1367-Y1369 PolarHBondContact O-N 3.45Å; S1367-Y1369 PolarHBondContact OG-O 3.37Å
1370	I	76.7	Confident	65.8	Low	91 Å²	91	87.2 Å²	87.2	47%	0.467	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.1	168.1	-60.5	170.3	0	0	0	106.7	T1287 Y1288 K1290	T1287-I1370 WeakPolarHBondContact CA-O 3.46Å; Y1288-I1370 PolarHBondContact N-O 3.26Å; Y1288-I1370 PolarHBondContact O-N 3.25Å; K1290-I1370 HydrophobicContact CG-CD1 4.11Å; K1290-I1370 HydrophobicContact CG-CG1 4.01Å
1371	Y	85.6	Confident	68.7	Low	39 Å²	39	82 Å²	82	15%	0.153	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.4	-176.2	-66.6	-100.1	0	0	0	109.8	N1212 L1226 I1235 L1236 I1285 H1286 T1287	N1212-Y1371 HydrophobicContact CB-CD1 4.48Å; N1212-Y1371 HydrophobicContact CB-CE1 3.91Å; N1212-Y1371 WeakPolarHBondContact OD1-CE1 3.5Å; L1226-Y1371 HydrophobicContact CD2-CD1 4.11Å; L1226-Y1371 HydrophobicContact CD2-CE1 4.24Å; I1235-Y1371 HydrophobicContact CD1-CE2 4.39Å; I1235-Y1371 HydrophobicContact CG2-CD2 3.3Å; I1235-Y1371 HydrophobicContact CG2-CE2 3.33Å; I1235-Y1371 HydrophobicContact CG2-CG 4.05Å; L1236-Y1371 HydrophobicContact CD2-CG 4.28Å; I1285-Y1371 HydrophobicContact CG2-CD1 4.12Å; H1286-Y1371 CarbonylContact O-C 3.57Å; H1286-Y1371 WeakPolarHBondContact O-CA 3.47Å; T1287-Y1371 HydrophobicContact CG2-CD1 3.6Å; T1287-Y1371 HydrophobicContact CG2-CE1 3.54Å
1372	E	87	Confident	71.5	Confident	89 Å²	89	75.6 Å²	75.6	42%	0.416	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110.6	180	-178.5	171.7	-143.4	0	0	111.4	Y1245 H1286 Y1288	Y1245-E1372 WeakPolarHBondContact OH-CA 3.33Å; H1286-E1372 HydrophobicContact CB-CB 4.33Å; H1286-E1372 PolarHBondContact N-O 3.24Å; H1286-E1372 PolarHBondContact O-N 2.9Å; Y1288-E1372 HydrophobicContact CE2-CB 3.87Å; Y1288-E1372 VanDerWaalsContact CE2-OE2 3.27Å; Y1288-E1372 WeakPolarHBondContact CE2-OE2 3Å; Y1288-E1372 PolarHBondContact OH-OE2 3.5Å
1373	L	91	Very high	74.1	Confident	13 Å²	13	75.5 Å²	75.5	7%	0.068	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	112.6	170.6	-72	161.1	0	0	0	110.4	W1215 I1224 L1236 F1238 Y1245 L1271 Y1283 Q1284 I1285	W1215-L1373 HydrophobicContact CH2-CD1 4.11Å; W1215-L1373 HydrophobicContact CH2-CD2 4Å; W1215-L1373 HydrophobicContact CH2-CG 4.42Å; W1215-L1373 HydrophobicContact CZ3-CD1 4.49Å; I1224-L1373 HydrophobicContact CD1-CD1 4.34Å; L1236-L1373 HydrophobicContact CD1-CD1 3.95Å; F1238-L1373 HydrophobicContact CB-CD1 3.86Å; F1238-L1373 HydrophobicContact CD1-CD1 3.7Å; F1238-L1373 HydrophobicContact CD2-CD1 3.92Å; F1238-L1373 HydrophobicContact CE1-CD1 4.13Å; F1238-L1373 HydrophobicContact CE2-CB 4.25Å; F1238-L1373 HydrophobicContact CE2-CD1 4.33Å; F1238-L1373 HydrophobicContact CG-CD1 3.57Å; F1238-L1373 HydrophobicContact CZ-CB 4.22Å; F1238-L1373 HydrophobicContact CZ-CD1 4.42Å; Y1245-L1373 PolarHBondContact OH-N 2.99Å; L1271-L1373 HydrophobicContact CD2-CD2 4.36Å; Y1283-L1373 HydrophobicContact CD1-CB 4.03Å; Y1283-L1373 HydrophobicContact CG-CD2 4.29Å; Q1284-L1373 CarbonylContact O-C 3.51Å; Q1284-L1373 VanDerWaalsContact O-CA 3.29Å; Q1284-L1373 WeakPolarHBondContact O-CA 3.47Å; I1285-L1373 HydrophobicContact CG1-CD2 3.87Å
1374	Q	89.4	Confident	76.9	Confident	111 Å²	111	69.5 Å²	69.5	52%	0.519	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.9	171.7	179.3	-174.3	-3.3	0	0	109.7	Y1283 Q1284 H1286 I1376	Y1283-Q1374 CarbonylContact C-O 3.54Å; Y1283-Q1374 VanDerWaalsContact CA-O 3.31Å; Y1283-Q1374 WeakPolarHBondContact CA-O 3.23Å; Q1284-Q1374 PolarHBondContact N-O 2.87Å; Q1284-Q1374 PolarHBondContact O-N 3.21Å; H1286-Q1374 PolarHBondContact CE1-OE1 3.49Å; H1286-Q1374 VanDerWaalsContact CE1-OE1 3.25Å; Q1374-I1376 PolarHBondContact O-N 2.85Å
1375	K	90	Very high	79.5	Confident	68 Å²	68	66.8 Å²	66.8	30%	0.296	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122.2	175.4	-168	173.7	63.9	-125	0	110.8	E1243 Y1283 V1377 R1378	E1243-K1375 WeakPolarHBondContact OE1-CB 3.45Å; E1243-K1375 WeakPolarHBondContact OE1-CD 3.4Å; E1243-K1375 IonicContact OE1-NZ 2.83Å; E1243-K1375 PolarHBondContact OE1-NZ 3.19Å; E1243-K1375 IonicContact OE2-NZ 3.71Å; E1243-K1375 PolarHBondContact OE2-NZ 3.44Å; Y1283-K1375 HydrophobicContact CD1-CB 3.83Å; Y1283-K1375 HydrophobicContact CD1-CG 4.48Å; Y1283-K1375 HydrophobicContact CE1-CB 3.57Å; Y1283-K1375 HydrophobicContact CE1-CD 4.46Å; Y1283-K1375 HydrophobicContact CE1-CG 4.14Å; K1375-V1377 WeakPolarHBondContact CG-O 3.44Å; K1375-R1378 HydrophobicContact CD-CB 4.2Å
1376	I	88.2	Confident	82	Confident	67 Å²	67	61.5 Å²	61.5	34%	0.344	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-46.1	171	-53.1	162.6	0	0	0	110.1	V1282 Q1284 Q1374 S1425	V1282-I1376 PolarHBondContact O-N 2.66Å; Q1284-I1376 HydrophobicContact CB-CD1 3.75Å; Q1284-I1376 HydrophobicContact CB-CG1 4.07Å; Q1284-I1376 HydrophobicContact CG-CD1 4.48Å; Q1374-I1376 PolarHBondContact O-N 2.85Å; I1376-S1425 WeakPolarHBondContact CG2-O 3.39Å
1377	V	86.1	Confident	84.2	Confident	18 Å²	18	59.9 Å²	59.9	11%	0.109	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.1	-171.8	-173.3	0	0	0	0	110.4	L1281 V1282 K1375 W1427	L1281-V1377 WeakPolarHBondContact CA-O 3.49Å; V1282-V1377 HydrophobicContact CB-CB 3.85Å; V1282-V1377 HydrophobicContact CB-CG2 4.05Å; V1282-V1377 HydrophobicContact CG2-CB 3.88Å; V1282-V1377 HydrophobicContact CG2-CG1 4.5Å; V1282-V1377 HydrophobicContact CG2-CG2 4.19Å; V1282-V1377 PolarHBondContact N-O 2.66Å; V1282-V1377 PolarHBondContact O-N 2.63Å; V1282-V1377 VanDerWaalsContact O-N 3.16Å; K1375-V1377 WeakPolarHBondContact CG-O 3.44Å; V1377-W1427 HydrophobicContact CG2-CB 4.25Å
1378	R	90.5	Very high	86.1	Confident	140 Å²	140	60.5 Å²	60.5	53%	0.528	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116.8	159.2	174.6	175.3	-170	162.4	14.9	106.8	E1279 L1281 K1375	E1279-R1378 VanDerWaalsContact CD-NH2 3.33Å; E1279-R1378 IonicContact OE1-CZ 3.17Å; E1279-R1378 IonicContact OE1-NE 2.75Å; E1279-R1378 PolarHBondContact OE1-NE 2.79Å; E1279-R1378 IonicContact OE1-NH2 2.71Å; E1279-R1378 PolarHBondContact OE1-NH2 3.28Å; E1279-R1378 IonicContact OE2-CZ 3.97Å; E1279-R1378 IonicContact OE2-NH2 3.64Å; E1279-R1378 PolarHBondContact OE2-NH2 2.93Å; E1279-R1378 VanDerWaalsContact OE2-NH2 3.08Å; L1281-R1378 HydrophobicContact CD2-CB 3.94Å; L1281-R1378 HydrophobicContact CD2-CG 3.67Å; K1375-R1378 HydrophobicContact CD-CB 4.2Å
1379	S	88.1	Confident	87.5	Confident	34 Å²	34	56.7 Å²	56.7	24%	0.238	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.6	179.8	-171.8	0	0	0	0	109.6	E1279 V1280 V1381	E1279-S1379 CarbonylContact C-O 3.6Å; E1279-S1379 VanDerWaalsContact CA-O 3.27Å; E1279-S1379 WeakPolarHBondContact CA-O 3.13Å; V1280-S1379 PolarHBondContact N-O 2.91Å; V1280-S1379 PolarHBondContact O-N 3.48Å; S1379-V1381 WeakPolarHBondContact OG-CG1 3.14Å
1380	K	88.6	Confident	88.5	Confident	85 Å²	85	53.4 Å²	53.4	37%	0.37	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116.6	168.4	171.1	65.2	169.2	167.2	0	106.7	M1277 E1279 A1382 E1383	M1277-K1380 PolarHBondContact O-NZ 3.32Å; E1279-K1380 HydrophobicContact CG-CB 4.4Å; E1279-K1380 HydrophobicContact CG-CD 4.19Å; K1380-A1382 WeakPolarHBondContact CE-O 3.47Å; K1380-A1382 PolarHBondContact NZ-O 3.14Å; K1380-E1383 WeakPolarHBondContact CE-OE1 3.29Å; K1380-E1383 WeakPolarHBondContact CE-OE2 3.39Å; K1380-E1383 IonicContact NZ-OE1 2.55Å; K1380-E1383 PolarHBondContact NZ-OE1 2.98Å; K1380-E1383 IonicContact NZ-OE2 3.37Å; K1380-E1383 PolarHBondContact NZ-OE2 3.4Å
1381	V	87	Confident	89.1	Confident	16 Å²	16	51.8 Å²	51.8	10%	0.097	25%	0.245	C	C	.	.			trans	-128.6	-7.8	-169.9	-58.5	0	0	0	0	114.6	G1278 V1280 S1379 I1386 D1412 L1415 W1417	G1278-V1381 PolarHBondContact O-N 3.44Å; V1280-V1381 HydrophobicContact CG2-CG2 3.87Å; S1379-V1381 WeakPolarHBondContact OG-CG1 3.14Å; V1381-I1386 HydrophobicContact CG2-CD1 3.69Å; V1381-D1412 WeakPolarHBondContact O-CB 3.06Å; V1381-L1415 HydrophobicContact CB-CD1 3.57Å; V1381-L1415 HydrophobicContact CG1-CD1 4.14Å; V1381-L1415 HydrophobicContact CG2-CD1 4Å; V1381-W1417 HydrophobicContact CG1-CH2 3.95Å; V1381-W1417 HydrophobicContact CG1-CZ2 3.87Å
1382	A	85.5	Confident	89.1	Confident	11 Å²	11	52.4 Å²	52.4	9%	0.091	25%	0.248	C	C	.	.			trans	-151.8	158.4	170.6	0	0	0	0	0	110.5	G1278 K1380 I1386	G1278-A1382 WeakPolarHBondContact CA-O 3.37Å; G1278-A1382 PolarHBondContact O-N 3.02Å; G1278-A1382 VanDerWaalsContact O-N 3.12Å; K1380-A1382 WeakPolarHBondContact CE-O 3.47Å; K1380-A1382 PolarHBondContact NZ-O 3.14Å; A1382-I1386 HydrophobicContact CB-CD1 4.18Å
1383	E	82.9	Confident	88.7	Confident	129 Å²	129	52.5 Å²	52.5	60%	0.603	25%	0.247	S	C	*	.	S	Bend	trans	-82.5	-2.2	166.2	-67.2	-43.8	121.3	0	0	113.7	K1380	K1380-E1383 WeakPolarHBondContact CE-OE1 3.29Å; K1380-E1383 WeakPolarHBondContact CE-OE2 3.39Å; K1380-E1383 IonicContact NZ-OE1 2.55Å; K1380-E1383 PolarHBondContact NZ-OE1 2.98Å; K1380-E1383 IonicContact NZ-OE2 3.37Å; K1380-E1383 PolarHBondContact NZ-OE2 3.4Å
1384	T	88.3	Confident	88.1	Confident	18 Å²	18	54.8 Å²	54.8	11%	0.11	26%	0.259	C	S	.	.	S	Bend	trans	-122	151.6	-179.4	78.7	0	0	0	0	110.8	G1278 I1386 S1405 T1406 Y1407 D1410	G1278-T1384 WeakPolarHBondContact CA-O 3.37Å; T1384-I1386 PolarHBondContact O-N 3.48Å; T1384-S1405 WeakPolarHBondContact OG1-CB 3.41Å; T1384-S1405 PolarHBondContact OG1-OG 2.85Å; T1384-T1406 WeakPolarHBondContact OG1-CB 3.22Å; T1384-T1406 PolarHBondContact OG1-N 2.86Å; T1384-Y1407 HydrophobicContact CG2-CD2 3.85Å; T1384-Y1407 HydrophobicContact CG2-CE2 3.92Å; T1384-D1410 VanDerWaalsContact CG2-OD2 3.3Å; T1384-D1410 WeakPolarHBondContact CG2-OD2 3.5Å; T1384-D1410 PolarHBondContact OG1-OD2 3.06Å
1385	P	90.8	Very high	87.4	Confident	35 Å²	35	52.5 Å²	52.5	23%	0.227	25%	0.253	C	S	.	.			trans	-51.8	134.9	-175.9	-28.2	33.2	0	0	0	113.2	T1262 R1387 S1405 T1406	T1262-P1385 HydrophobicContact CG2-CB 4.33Å; P1385-R1387 PolarHBondContact O-N 3.37Å; P1385-R1387 VanDerWaalsContact O-N 3.11Å; P1385-S1405 CarbonylContact O-C 3.53Å; P1385-T1406 WeakPolarHBondContact CD-OG1 3.29Å; P1385-T1406 PolarHBondContact O-N 3.36Å; P1385-T1406 PolarHBondContact O-OG1 2.81Å
1386	I	93.5	Very high	86.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.273	C	S	.	.			trans	-68.7	109.5	171.1	-51.5	-51.9	0	0	0	107.4	T1262 V1263 T1275 E1279 V1280 V1381 A1382 T1384 L1389 C1404	T1262-I1386 VanDerWaalsContact CB-O 3.29Å; T1262-I1386 WeakPolarHBondContact CB-O 3.49Å; T1262-I1386 PolarHBondContact OG1-O 2.76Å; V1263-I1386 HydrophobicContact CG1-CG2 4.03Å; T1275-I1386 PolarHBondContact O-N 3.02Å; E1279-I1386 WeakPolarHBondContact O-CG1 3.37Å; V1280-I1386 HydrophobicContact CG2-CD1 4.42Å; V1280-I1386 HydrophobicContact CG2-CG1 4.05Å; V1280-I1386 HydrophobicContact CG2-CG2 4.39Å; V1381-I1386 HydrophobicContact CG2-CD1 3.69Å; A1382-I1386 HydrophobicContact CB-CD1 4.18Å; T1384-I1386 PolarHBondContact O-N 3.48Å; I1386-L1389 HydrophobicContact CG2-CG 4.42Å; I1386-C1404 CarbonylContact C-O 3.55Å; I1386-C1404 WeakPolarHBondContact CA-O 3.36Å
1387	R	91	Very high	85.3	Confident	76 Å²	76	57.5 Å²	57.5	29%	0.287	29%	0.292	S	S	.	.			trans	-83.5	-35.3	-179.3	-81.8	-167.6	165.6	-159.7	-2.2	112.9	V1027 I1028 P1385 C1404	V1027-R1387 VanDerWaalsContact CG1-CZ 3.42Å; V1027-R1387 VanDerWaalsContact CG1-NH1 3.3Å; I1028-R1387 WeakPolarHBondContact O-CD 3.29Å; I1028-R1387 PolarHBondContact O-NH1 3.12Å; P1385-R1387 PolarHBondContact O-N 3.37Å; P1385-R1387 VanDerWaalsContact O-N 3.11Å; R1387-C1404 PolarHBondContact N-O 2.91Å
1388	F	93.5	Very high	84.6	Confident	45 Å²	45	62 Å²	62	20%	0.197	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.5	-171.3	-52.8	-75.1	0	0	0	111.7	I1028 Q1029 I1031 S1403 C1404	I1028-F1388 HydrophobicContact CB-CE2 4.29Å; I1028-F1388 HydrophobicContact CG2-CD2 3.85Å; I1028-F1388 HydrophobicContact CG2-CE2 3.72Å; Q1029-F1388 VanDerWaalsContact O-CZ 3.24Å; Q1029-F1388 WeakPolarHBondContact O-CZ 3.32Å; I1031-F1388 HydrophobicContact CG2-CB 3.44Å; I1031-F1388 VanDerWaalsContact CG2-CB 3.44Å; I1031-F1388 HydrophobicContact CG2-CD1 3.65Å; I1031-F1388 HydrophobicContact CG2-CD2 3.93Å; I1031-F1388 HydrophobicContact CG2-CE1 4.43Å; I1031-F1388 HydrophobicContact CG2-CG 3.38Å; F1388-S1403 WeakPolarHBondContact O-CA 3.39Å; F1388-C1404 HydrophobicContact CB-CB 4.18Å; F1388-C1404 HydrophobicContact CD2-CB 4.1Å; F1388-C1404 PolarHBondContact N-O 3.48Å; F1388-C1404 PolarHBondContact O-N 3.17Å
1389	L	93.4	Very high	84	Confident	11 Å²	11	56 Å²	56	6%	0.058	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.3	163.6	-73.8	169	0	0	0	105.4	V1263 L1265 W1272 V1280 I1386 I1402	V1263-L1389 HydrophobicContact CG1-CB 4.29Å; V1263-L1389 HydrophobicContact CG1-CD1 3.89Å; V1263-L1389 HydrophobicContact CG1-CG 3.82Å; V1263-L1389 HydrophobicContact CG2-CB 4.1Å; L1265-L1389 HydrophobicContact CB-CB 3.87Å; L1265-L1389 HydrophobicContact CB-CD1 4.36Å; L1265-L1389 HydrophobicContact CD2-CB 3.79Å; L1265-L1389 HydrophobicContact CG-CB 4.48Å; W1272-L1389 HydrophobicContact CB-CD1 3.87Å; W1272-L1389 HydrophobicContact CE3-CD2 4.46Å; V1280-L1389 HydrophobicContact CG2-CD2 4.49Å; I1386-L1389 HydrophobicContact CG2-CG 4.42Å; L1389-I1402 WeakPolarHBondContact CA-O 3.3Å
1390	V	91.1	Very high	83.7	Confident	25 Å²	25	55 Å²	55	15%	0.152	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.1	174.2	-65.5	0	0	0	0	110.1	I1031 F1033 I1401 I1402	I1031-V1390 HydrophobicContact CD1-CG2 3.69Å; I1031-V1390 HydrophobicContact CG1-CG1 4.37Å; I1031-V1390 HydrophobicContact CG1-CG2 3.94Å; I1031-V1390 HydrophobicContact CG2-CG1 3.82Å; F1033-V1390 HydrophobicContact CD2-CB 4.28Å; F1033-V1390 HydrophobicContact CD2-CG2 4.05Å; F1033-V1390 HydrophobicContact CE2-CB 4.3Å; F1033-V1390 HydrophobicContact CE2-CG2 3.79Å; V1390-I1401 CarbonylContact O-C 3.59Å; V1390-I1401 WeakPolarHBondContact O-CA 3.42Å; V1390-I1402 HydrophobicContact CG2-CB 3.85Å; V1390-I1402 HydrophobicContact CG2-CG1 4.41Å; V1390-I1402 HydrophobicContact CG2-CG2 4.49Å; V1390-I1402 PolarHBondContact N-O 3.01Å; V1390-I1402 PolarHBondContact O-N 2.96Å
1391	M	89.1	Confident	83.7	Confident	57 Å²	57	50.9 Å²	50.9	28%	0.281	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.3	-175.5	168.9	-83.1	-61.3	0	0	111.1	L1265 Y1267 I1399 L1400 I1401	L1265-M1391 HydrophobicContact CD1-CB 4.34Å; L1265-M1391 HydrophobicContact CD2-CB 3.86Å; Y1267-M1391 HydrophobicContact CD2-CE 3.57Å; Y1267-M1391 HydrophobicContact CD2-CG 4.46Å; Y1267-M1391 HydrophobicContact CD2-SD 3.87Å; Y1267-M1391 HydrophobicContact CE2-CE 4.43Å; Y1267-M1391 HydrophobicContact CE2-SD 4.28Å; Y1267-M1391 HydrophobicContact CG-CE 4.25Å; M1391-I1399 HydrophobicContact CG-CG2 3.57Å; M1391-I1399 HydrophobicContact SD-CG2 4.2Å; M1391-L1400 CarbonylContact C-O 3.43Å; M1391-L1400 WeakPolarHBondContact CA-O 3.41Å; M1391-I1401 HydrophobicContact CB-CG1 4.05Å; M1391-I1401 HydrophobicContact CG-CG1 3.93Å
1392	K	85	Confident	83.9	Confident	51 Å²	51	50.1 Å²	50.1	22%	0.222	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.3	169.7	-165.5	71.3	176.9	-123.9	0	109	F1033 D1035 N1036 L1400	F1033-K1392 HydrophobicContact CB-CB 4.41Å; F1033-K1392 HydrophobicContact CB-CD 4.05Å; F1033-K1392 HydrophobicContact CB-CG 4.47Å; F1033-K1392 HydrophobicContact CD1-CB 3.84Å; F1033-K1392 HydrophobicContact CD1-CG 4.25Å; F1033-K1392 HydrophobicContact CD2-CB 3.84Å; F1033-K1392 HydrophobicContact CE1-CB 3.93Å; F1033-K1392 HydrophobicContact CE2-CB 3.92Å; F1033-K1392 HydrophobicContact CG-CB 3.8Å; F1033-K1392 HydrophobicContact CG-CD 4.37Å; F1033-K1392 HydrophobicContact CG-CG 4.3Å; F1033-K1392 HydrophobicContact CZ-CB 3.96Å; D1035-K1392 WeakPolarHBondContact O-CE 3.4Å; D1035-K1392 PolarHBondContact O-NZ 3.29Å; N1036-K1392 WeakPolarHBondContact OD1-CE 3.44Å; K1392-L1400 PolarHBondContact N-O 3.4Å; K1392-L1400 PolarHBondContact O-N 3.5Å
1393	K	80.5	Confident	84.3	Confident	91 Å²	91	49.7 Å²	49.7	40%	0.396	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.8	173	-172.5	176.7	179.8	-179.8	0	108.3	Y1267 T1395 D1396	Y1267-K1393 HydrophobicContact CE2-CD 4.45Å; K1393-T1395 WeakPolarHBondContact CE-O 3.36Å; K1393-T1395 VanDerWaalsContact CG-O 3.23Å; K1393-T1395 WeakPolarHBondContact CG-O 3.41Å; K1393-D1396 WeakPolarHBondContact CE-OD1 3.46Å; K1393-D1396 IonicContact NZ-OD1 3.88Å; K1393-D1396 PolarHBondContact NZ-OD1 3.28Å
1394	I	77.7	Confident	84.7	Confident	61 Å²	61	43.6 Å²	43.6	31%	0.313	23%	0.227	S	C	.	.	S	Bend	trans	-87.3	-45.6	176.7	-53.2	176.9	0	0	0	109.3	H1398 L1400	I1394-H1398 PolarHBondContact N-O 3.18Å; I1394-L1400 HydrophobicContact CD1-CD1 3.76Å; I1394-L1400 HydrophobicContact CD1-CG 3.93Å; I1394-L1400 HydrophobicContact CG1-CD1 4.4Å
1395	T	74.2	Confident	84.8	Confident	64 Å²	64	42.8 Å²	42.8	39%	0.393	22%	0.222	S	C	.	.	S	Bend	trans	-140.3	175.9	174.3	69	0	0	0	0	109.7	K1393 S1397 H1398	K1393-T1395 WeakPolarHBondContact CE-O 3.36Å; K1393-T1395 VanDerWaalsContact CG-O 3.23Å; K1393-T1395 WeakPolarHBondContact CG-O 3.41Å; T1395-S1397 PolarHBondContact O-N 2.8Å; T1395-S1397 PolarHBondContact OG1-N 3.13Å; T1395-S1397 PolarHBondContact OG1-OG 3.3Å; T1395-S1397 VanDerWaalsContact OG1-OG 3.1Å; T1395-H1398 PolarHBondContact N-O 3.2Å; T1395-H1398 PolarHBondContact O-N 2.98Å; T1395-H1398 WeakPolarHBondContact OG1-CB 3.42Å; T1395-H1398 PolarHBondContact OG1-N 3.23Å
1396	D	67.7	Low	84.7	Confident	134 Å²	134	41.8 Å²	41.8	72%	0.717	22%	0.215	S	C	*	.	S	Bend	trans	-62.6	-20.3	172.2	-64.2	-56.5	0	0	0	114.2	K1393	K1393-D1396 WeakPolarHBondContact CE-OD1 3.46Å; K1393-D1396 IonicContact NZ-OD1 3.88Å; K1393-D1396 PolarHBondContact NZ-OD1 3.28Å
1397	S	66.5	Low	84.3	Confident	105 Å²	105	45 Å²	45	73%	0.734	23%	0.228	S	C	*	.	S	Bend	trans	-103.1	-24.4	177.6	55.3	0	0	0	0	114.2	T1395	T1395-S1397 PolarHBondContact O-N 2.8Å; T1395-S1397 PolarHBondContact OG1-N 3.13Å; T1395-S1397 PolarHBondContact OG1-OG 3.3Å; T1395-S1397 VanDerWaalsContact OG1-OG 3.1Å
1398	H	72.4	Confident	83.9	Confident	113 Å²	113	42.5 Å²	42.5	52%	0.523	22%	0.219	S	C	.	.			trans	-118.2	110.2	-171.9	-134	-51	0	0	0	111.8	I1394 T1395	I1394-H1398 PolarHBondContact N-O 3.18Å; T1395-H1398 PolarHBondContact N-O 3.2Å; T1395-H1398 PolarHBondContact O-N 2.98Å; T1395-H1398 WeakPolarHBondContact OG1-CB 3.42Å; T1395-H1398 PolarHBondContact OG1-N 3.23Å
1399	I	76.4	Confident	83.1	Confident	14 Å²	14	44.8 Å²	44.8	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.1	178.8	-50.5	118.6	0	0	0	108.4	Y1267 M1391 I1401	Y1267-I1399 HydrophobicContact CE1-CD1 3.56Å; Y1267-I1399 HydrophobicContact CE1-CG1 3.84Å; Y1267-I1399 HydrophobicContact CE1-CG2 4.48Å; Y1267-I1399 HydrophobicContact CE2-CG1 4.38Å; Y1267-I1399 WeakPolarHBondContact OH-CG1 3.44Å; M1391-I1399 HydrophobicContact CG-CG2 3.57Å; M1391-I1399 HydrophobicContact SD-CG2 4.2Å; I1399-I1401 HydrophobicContact CG2-CD1 4.44Å; I1399-I1401 HydrophobicContact CG2-CG1 4Å
1400	L	82.2	Confident	82.2	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.1	164.7	-71.8	173.6	0	0	0	109.1	F1033 V1056 M1391 K1392 I1394 K1416	F1033-L1400 HydrophobicContact CE1-CD1 4.31Å; F1033-L1400 HydrophobicContact CZ-CB 4.14Å; V1056-L1400 HydrophobicContact CB-CD1 3.94Å; V1056-L1400 HydrophobicContact CG1-CD1 3.62Å; V1056-L1400 HydrophobicContact CG1-CD2 3.68Å; V1056-L1400 HydrophobicContact CG1-CG 4.22Å; M1391-L1400 CarbonylContact C-O 3.43Å; M1391-L1400 WeakPolarHBondContact CA-O 3.41Å; K1392-L1400 PolarHBondContact N-O 3.4Å; K1392-L1400 PolarHBondContact O-N 3.5Å; I1394-L1400 HydrophobicContact CD1-CD1 3.76Å; I1394-L1400 HydrophobicContact CD1-CG 3.93Å; I1394-L1400 HydrophobicContact CG1-CD1 4.4Å; L1400-K1416 HydrophobicContact CD2-CD 4.42Å; L1400-K1416 HydrophobicContact CD2-CG 4.31Å
1401	I	88.6	Confident	81.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.9	169.7	-59.3	178.3	0	0	0	107.4	L1265 W1272 V1390 M1391 I1399 W1417 W1427	L1265-I1401 HydrophobicContact CD2-CG2 4.26Å; W1272-I1401 HydrophobicContact CD2-CD1 4.13Å; W1272-I1401 HydrophobicContact CD2-CG2 4.35Å; W1272-I1401 VanDerWaalsContact CE2-CD1 3.45Å; W1272-I1401 HydrophobicContact CE3-CG2 4.1Å; W1272-I1401 HydrophobicContact CH2-CD1 4.16Å; W1272-I1401 HydrophobicContact CH2-CG2 4.45Å; W1272-I1401 HydrophobicContact CZ2-CD1 3.48Å; W1272-I1401 VanDerWaalsContact CZ2-CD1 3.48Å; W1272-I1401 HydrophobicContact CZ3-CG2 4.16Å; V1390-I1401 CarbonylContact O-C 3.59Å; V1390-I1401 WeakPolarHBondContact O-CA 3.42Å; M1391-I1401 HydrophobicContact CB-CG1 4.05Å; M1391-I1401 HydrophobicContact CG-CG1 3.93Å; I1399-I1401 HydrophobicContact CG2-CD1 4.44Å; I1399-I1401 HydrophobicContact CG2-CG1 4Å; I1401-W1417 HydrophobicContact CB-CB 4.13Å; I1401-W1417 PolarHBondContact O-N 3.47Å; I1401-W1427 HydrophobicContact CD1-CH2 3.96Å; I1401-W1427 HydrophobicContact CD1-CZ3 4.15Å
1402	I	91.8	Very high	80.3	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.4	-179	-54.5	-81.4	0	0	0	107.9	I1031 F1033 L1039 V1056 L1389 V1390 V1414 L1415 K1416 I1432	I1031-I1402 HydrophobicContact CD1-CG2 4.13Å; F1033-I1402 HydrophobicContact CE2-CG1 4.07Å; F1033-I1402 HydrophobicContact CZ-CG1 3.74Å; L1039-I1402 HydrophobicContact CD2-CD1 3.94Å; L1039-I1402 HydrophobicContact CD2-CG1 3.81Å; L1039-I1402 HydrophobicContact CD2-CG2 4.47Å; V1056-I1402 HydrophobicContact CG1-CD1 4.1Å; V1056-I1402 HydrophobicContact CG2-CD1 4.46Å; L1389-I1402 WeakPolarHBondContact CA-O 3.3Å; V1390-I1402 HydrophobicContact CG2-CB 3.85Å; V1390-I1402 HydrophobicContact CG2-CG1 4.41Å; V1390-I1402 HydrophobicContact CG2-CG2 4.49Å; V1390-I1402 PolarHBondContact N-O 3.01Å; V1390-I1402 PolarHBondContact O-N 2.96Å; I1402-V1414 HydrophobicContact CG2-CG1 3.77Å; I1402-L1415 CarbonylContact C-O 3.36Å; I1402-L1415 WeakPolarHBondContact CA-O 3.49Å; I1402-K1416 HydrophobicContact CD1-CB 3.97Å; I1402-K1416 HydrophobicContact CD1-CG 4.25Å; I1402-I1432 HydrophobicContact CD1-CD1 3.6Å
1403	S	93	Very high	80.2	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.8	170.8	65.2	0	0	0	0	111	F1388 L1415 W1417	F1388-S1403 WeakPolarHBondContact O-CA 3.39Å; S1403-L1415 PolarHBondContact N-O 2.76Å; S1403-L1415 PolarHBondContact O-N 3.01Å; S1403-W1417 PolarHBondContact OG-NE1 2.92Å
1404	C	92.3	Very high	80.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138	177.6	-63.1	0	0	0	0	112.3	I1028 I1031 I1386 R1387 F1388 A1413	I1028-C1404 HydrophobicContact CD1-CB 3.85Å; I1028-C1404 HydrophobicContact CG2-CB 4.35Å; I1031-C1404 VanDerWaalsContact CD1-SG 3.52Å; I1386-C1404 CarbonylContact C-O 3.55Å; I1386-C1404 WeakPolarHBondContact CA-O 3.36Å; R1387-C1404 PolarHBondContact N-O 2.91Å; F1388-C1404 HydrophobicContact CB-CB 4.18Å; F1388-C1404 HydrophobicContact CD2-CB 4.1Å; F1388-C1404 PolarHBondContact N-O 3.48Å; F1388-C1404 PolarHBondContact O-N 3.17Å; C1404-A1413 VanDerWaalsContact CA-O 3.23Å; C1404-A1413 WeakPolarHBondContact CA-O 3.45Å
1405	S	90.6	Very high	81.1	Confident	1 Å²	1	38 Å²	38	1%	0.007	21%	0.206	C	C	.	.			trans	-74.8	-163.6	172.8	87.3	0	0	0	0	111.5	T1384 P1385 Y1407 D1410 A1413	T1384-S1405 WeakPolarHBondContact OG1-CB 3.41Å; T1384-S1405 PolarHBondContact OG1-OG 2.85Å; P1385-S1405 CarbonylContact O-C 3.53Å; S1405-Y1407 PolarHBondContact OG-N 3.28Å; S1405-Y1407 PolarHBondContact OG-O 2.99Å; S1405-D1410 PolarHBondContact OG-OD2 3.28Å; S1405-A1413 PolarHBondContact N-O 2.92Å
1406	T	88	Confident	81.9	Confident	14 Å²	14	36.1 Å²	36.1	9%	0.086	19%	0.192	C	C	.	.	S	Bend	trans	-84.3	-37.9	175.4	-66.5	0	0	0	0	113.9	V1027 I1028 T1384 P1385	V1027-T1406 CarbonylContact C-O 3.59Å; V1027-T1406 WeakPolarHBondContact CA-O 3.1Å; V1027-T1406 HydrophobicContact CG1-CG2 4.03Å; V1027-T1406 WeakPolarHBondContact CG1-O 3.31Å; I1028-T1406 PolarHBondContact N-O 3.38Å; T1384-T1406 WeakPolarHBondContact OG1-CB 3.22Å; T1384-T1406 PolarHBondContact OG1-N 2.86Å; P1385-T1406 WeakPolarHBondContact CD-OG1 3.29Å; P1385-T1406 PolarHBondContact O-N 3.36Å; P1385-T1406 PolarHBondContact O-OG1 2.81Å
1407	Y	86.2	Confident	82.9	Confident	69 Å²	69	29.9 Å²	29.9	27%	0.271	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-112.8	137.1	-176.8	-52.2	-76.4	0	0	0	112.2	Q1025 A1026 V1027 T1384 S1405 N1409 D1410 A1413	Q1025-Y1407 HydrophobicContact CB-CD1 3.85Å; Q1025-Y1407 HydrophobicContact CB-CE1 4.27Å; Q1025-Y1407 HydrophobicContact CB-CG 4.43Å; A1026-Y1407 WeakPolarHBondContact O-CA 3.23Å; V1027-Y1407 HydrophobicContact CG2-CD1 4.06Å; V1027-Y1407 HydrophobicContact CG2-CE1 4.09Å; T1384-Y1407 HydrophobicContact CG2-CD2 3.85Å; T1384-Y1407 HydrophobicContact CG2-CE2 3.92Å; S1405-Y1407 PolarHBondContact OG-N 3.28Å; S1405-Y1407 PolarHBondContact OG-O 2.99Å; Y1407-N1409 PolarHBondContact O-N 3.25Å; Y1407-D1410 PolarHBondContact N-OD2 3.43Å; Y1407-D1410 WeakPolarHBondContact O-CB 3.42Å; Y1407-D1410 PolarHBondContact O-N 3.43Å; Y1407-D1410 VanDerWaalsContact O-N 3.13Å; Y1407-A1413 WeakPolarHBondContact O-CB 3.27Å
1408	F	82.1	Confident	83.7	Confident	22 Å²	22	29 Å²	29	10%	0.096	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.8	177.7	-175.4	-95.5	0	0	0	112.9	A1026 I1028 Y1043 M1061	A1026-F1408 HydrophobicContact CB-CB 4.34Å; A1026-F1408 PolarHBondContact O-N 2.63Å; I1028-F1408 HydrophobicContact CG1-CB 4.1Å; Y1043-F1408 AromaticContact CD1-CD2 3.55Å; Y1043-F1408 HydrophobicContact CD1-CD2 3.55Å; Y1043-F1408 AromaticContact CD1-CE2 3.34Å; Y1043-F1408 HydrophobicContact CD1-CE2 3.34Å; Y1043-F1408 HydrophobicContact CD1-CG 4.27Å; Y1043-F1408 AromaticContact CD1-CZ 3.95Å; Y1043-F1408 HydrophobicContact CD1-CZ 3.95Å; Y1043-F1408 HydrophobicContact CD2-CB 4.07Å; Y1043-F1408 AromaticContact CD2-CD1 3.7Å; Y1043-F1408 HydrophobicContact CD2-CD1 3.7Å; Y1043-F1408 AromaticContact CD2-CD2 3.72Å; Y1043-F1408 HydrophobicContact CD2-CD2 3.72Å; Y1043-F1408 AromaticContact CD2-CE1 3.96Å; Y1043-F1408 HydrophobicContact CD2-CE1 3.96Å; Y1043-F1408 AromaticContact CD2-CE2 3.96Å; Y1043-F1408 HydrophobicContact CD2-CE2 3.96Å; Y1043-F1408 AromaticContact CD2-CG 3.56Å; Y1043-F1408 HydrophobicContact CD2-CG 3.56Å; Y1043-F1408 HydrophobicContact CD2-CZ 4.08Å; Y1043-F1408 HydrophobicContact CE1-CD2 4.15Å; Y1043-F1408 HydrophobicContact CE1-CE1 4.41Å; Y1043-F1408 AromaticContact CE1-CE2 3.52Å; Y1043-F1408 HydrophobicContact CE1-CE2 3.52Å; Y1043-F1408 AromaticContact CE1-CZ 3.67Å; Y1043-F1408 HydrophobicContact CE1-CZ 3.67Å; Y1043-F1408 AromaticContact CE2-CD1 3.88Å; Y1043-F1408 HydrophobicContact CE2-CD1 3.88Å; Y1043-F1408 HydrophobicContact CE2-CD2 4.29Å; Y1043-F1408 AromaticContact CE2-CE1 3.68Å; Y1043-F1408 HydrophobicContact CE2-CE1 3.68Å; Y1043-F1408 HydrophobicContact CE2-CE2 4.11Å; Y1043-F1408 HydrophobicContact CE2-CG 4.17Å; Y1043-F1408 AromaticContact CE2-CZ 3.8Å; Y1043-F1408 HydrophobicContact CE2-CZ 3.8Å; Y1043-F1408 HydrophobicContact CG-CB 4.13Å; Y1043-F1408 HydrophobicContact CG-CD1 4.21Å; Y1043-F1408 AromaticContact CG-CD2 3.32Å; Y1043-F1408 HydrophobicContact CG-CD2 3.32Å; Y1043-F1408 HydrophobicContact CG-CE1 4.45Å; Y1043-F1408 AromaticContact CG-CE2 3.6Å; Y1043-F1408 HydrophobicContact CG-CE2 3.6Å; Y1043-F1408 AromaticContact CG-CG 3.64Å; Y1043-F1408 HydrophobicContact CG-CG 3.64Å; Y1043-F1408 HydrophobicContact CG-CZ 4.17Å; Y1043-F1408 AromaticContact CZ-CE1 3.94Å; Y1043-F1408 AromaticContact CZ-CE2 3.91Å; Y1043-F1408 AromaticContact CZ-CZ 3.59Å; M1061-F1408 HydrophobicContact CE-CD2 4.15Å; M1061-F1408 HydrophobicContact CE-CE2 3.33Å; M1061-F1408 HydrophobicContact CE-CZ 3.57Å; M1061-F1408 HydrophobicContact SD-CE2 3.64Å; M1061-F1408 HydrophobicContact SD-CZ 4.14Å
1409	N	75.8	Confident	84	Confident	93 Å²	93	29.1 Å²	29.1	50%	0.497	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	9.4	179.4	-63.4	-17.7	0	0	0	113.5	Y1407	Y1407-N1409 PolarHBondContact O-N 3.25Å
1410	D	75.4	Confident	83.8	Confident	34 Å²	34	30.8 Å²	30.8	18%	0.182	15%	0.146	C	C	.	.	S	Bend	trans	-72.2	147.9	167.4	-68.1	-22.3	0	0	0	109.4	T1384 S1405 Y1407 D1412 A1413	T1384-D1410 VanDerWaalsContact CG2-OD2 3.3Å; T1384-D1410 WeakPolarHBondContact CG2-OD2 3.5Å; T1384-D1410 PolarHBondContact OG1-OD2 3.06Å; S1405-D1410 PolarHBondContact OG-OD2 3.28Å; Y1407-D1410 PolarHBondContact N-OD2 3.43Å; Y1407-D1410 WeakPolarHBondContact O-CB 3.42Å; Y1407-D1410 PolarHBondContact O-N 3.43Å; Y1407-D1410 VanDerWaalsContact O-N 3.13Å; D1410-D1412 VanDerWaalsContact C-N 3.31Å; D1410-D1412 PolarHBondContact O-N 3.11Å; D1410-A1413 HydrophobicContact CB-CB 4.14Å; D1410-A1413 WeakPolarHBondContact O-CB 3.48Å; D1410-A1413 PolarHBondContact O-N 3.37Å; D1410-A1413 VanDerWaalsContact O-N 3.11Å
1411	D	67.1	Low	83.1	Confident	65 Å²	65	37.9 Å²	37.9	35%	0.348	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.5	-175.3	-89.8	-10.2	0	0	0	113.9	P1445 A1446 Y1447	D1411-P1445 HydrophobicContact CB-CB 4.07Å; D1411-P1445 WeakPolarHBondContact O-CB 3.33Å; D1411-P1445 WeakPolarHBondContact O-CG 3.29Å; D1411-A1446 WeakPolarHBondContact OD1-CB 3.46Å; D1411-A1446 PolarHBondContact OD1-N 3.36Å; D1411-A1446 WeakPolarHBondContact OD2-CA 3.32Å; D1411-A1446 WeakPolarHBondContact OD2-CB 3.45Å; D1411-A1446 PolarHBondContact OD2-N 2.89Å; D1411-Y1447 HydrophobicContact CB-CD1 3.9Å; D1411-Y1447 HydrophobicContact CB-CE1 4.15Å; D1411-Y1447 PolarHBondContact OD2-N 2.9Å; D1411-Y1447 VanDerWaalsContact OD2-N 3.16Å
1412	D	73	Confident	81.9	Confident	41 Å²	41	45.1 Å²	45.1	22%	0.219	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	39.2	174.3	-66.3	-64.7	0	0	0	110.9	V1381 D1410 V1414 L1415 Y1447	V1381-D1412 WeakPolarHBondContact O-CB 3.06Å; D1410-D1412 VanDerWaalsContact C-N 3.31Å; D1410-D1412 PolarHBondContact O-N 3.11Å; D1412-V1414 PolarHBondContact O-N 3Å; D1412-L1415 HydrophobicContact CB-CD1 4.17Å; D1412-L1415 HydrophobicContact CB-CD2 4.02Å; D1412-L1415 HydrophobicContact CB-CG 4.14Å; D1412-Y1447 VanDerWaalsContact CG-CE1 3.44Å; D1412-Y1447 WeakPolarHBondContact OD1-CE1 3.44Å; D1412-Y1447 VanDerWaalsContact OD1-CZ 3.29Å; D1412-Y1447 PolarHBondContact OD1-OH 2.98Å; D1412-Y1447 WeakPolarHBondContact OD2-CE1 3.41Å
1413	A	82	Confident	80.4	Confident	6 Å²	6	49 Å²	49	5%	0.05	24%	0.244	C	C	.	.	S	Bend	trans	-56.1	-31.8	-178.3	0	0	0	0	0	114	I1028 C1404 S1405 Y1407 D1410	I1028-A1413 HydrophobicContact CD1-CB 4.31Å; I1028-A1413 WeakPolarHBondContact CD1-O 3.36Å; C1404-A1413 VanDerWaalsContact CA-O 3.23Å; C1404-A1413 WeakPolarHBondContact CA-O 3.45Å; S1405-A1413 PolarHBondContact N-O 2.92Å; Y1407-A1413 WeakPolarHBondContact O-CB 3.27Å; D1410-A1413 HydrophobicContact CB-CB 4.14Å; D1410-A1413 WeakPolarHBondContact O-CB 3.48Å; D1410-A1413 PolarHBondContact O-N 3.37Å; D1410-A1413 VanDerWaalsContact O-N 3.11Å
1414	V	88.8	Confident	78.8	Confident	5 Å²	5	51 Å²	51	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	113.6	-179.2	-169.9	0	0	0	0	109.3	I1028 I1041 M1061 I1402 D1412 I1432	I1028-V1414 HydrophobicContact CD1-CG2 4.2Å; I1041-V1414 HydrophobicContact CD1-CB 4.49Å; I1041-V1414 HydrophobicContact CD1-CG1 3.86Å; I1041-V1414 HydrophobicContact CD1-CG2 3.75Å; M1061-V1414 HydrophobicContact CE-CG2 4.17Å; I1402-V1414 HydrophobicContact CG2-CG1 3.77Å; D1412-V1414 PolarHBondContact O-N 3Å; V1414-I1432 HydrophobicContact CB-CB 4.27Å; V1414-I1432 HydrophobicContact CG1-CB 4.15Å; V1414-I1432 HydrophobicContact CG1-CD1 3.67Å; V1414-I1432 HydrophobicContact CG1-CG2 4.45Å; V1414-I1432 PolarHBondContact O-N 2.86Å
1415	L	90.2	Very high	77.5	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.9	179.8	-67.6	173.1	0	0	0	111	V1381 I1402 S1403 D1412 N1429 P1431	V1381-L1415 HydrophobicContact CB-CD1 3.57Å; V1381-L1415 HydrophobicContact CG1-CD1 4.14Å; V1381-L1415 HydrophobicContact CG2-CD1 4Å; I1402-L1415 CarbonylContact C-O 3.36Å; I1402-L1415 WeakPolarHBondContact CA-O 3.49Å; S1403-L1415 PolarHBondContact N-O 2.76Å; S1403-L1415 PolarHBondContact O-N 3.01Å; D1412-L1415 HydrophobicContact CB-CD1 4.17Å; D1412-L1415 HydrophobicContact CB-CD2 4.02Å; D1412-L1415 HydrophobicContact CB-CG 4.14Å; L1415-N1429 HydrophobicContact CB-CB 4.38Å; L1415-P1431 HydrophobicContact CD2-CB 4.05Å
1416	K	90.1	Very high	76.5	Confident	25 Å²	25	57.2 Å²	57.2	11%	0.109	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.5	172.2	174.7	-170.3	171.1	-164.4	0	109.4	V1056 N1059 L1400 I1402 N1429 E1430 I1432	V1056-K1416 HydrophobicContact CG1-CD 3.65Å; V1056-K1416 HydrophobicContact CG1-CG 4.06Å; V1056-K1416 WeakPolarHBondContact O-CE 3.49Å; V1056-K1416 PolarHBondContact O-NZ 3.49Å; N1059-K1416 WeakPolarHBondContact OD1-CD 3.42Å; N1059-K1416 WeakPolarHBondContact OD1-CE 3.4Å; N1059-K1416 PolarHBondContact OD1-NZ 3.1Å; L1400-K1416 HydrophobicContact CD2-CD 4.42Å; L1400-K1416 HydrophobicContact CD2-CG 4.31Å; I1402-K1416 HydrophobicContact CD1-CB 3.97Å; I1402-K1416 HydrophobicContact CD1-CG 4.25Å; K1416-N1429 CarbonylContact O-C 3.58Å; K1416-N1429 WeakPolarHBondContact O-CA 3.32Å; K1416-E1430 HydrophobicContact CB-CG 4.09Å; K1416-E1430 HydrophobicContact CD-CG 4.05Å; K1416-E1430 VanDerWaalsContact CD-OE1 3.31Å; K1416-E1430 WeakPolarHBondContact CD-OE1 3.47Å; K1416-E1430 VanDerWaalsContact CE-OE1 3.26Å; K1416-E1430 WeakPolarHBondContact CE-OE1 3.21Å; K1416-E1430 HydrophobicContact CG-CG 4.33Å; K1416-E1430 PolarHBondContact N-O 3.45Å; K1416-E1430 IonicContact NZ-OE1 2.68Å; K1416-E1430 PolarHBondContact NZ-OE1 3.19Å; K1416-E1430 PolarHBondContact O-N 2.94Å; K1416-I1432 HydrophobicContact CB-CD1 3.93Å; K1416-I1432 HydrophobicContact CB-CG1 4.28Å
1417	W	89.6	Confident	76.1	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140	-179.3	-65.6	78.6	0	0	0	111.3	W1272 V1280 V1381 I1401 S1403 W1427 T1428 N1429	W1272-W1417 HydrophobicContact CH2-CB 4.02Å; W1272-W1417 AromaticContact CH2-CD2 3.93Å; W1272-W1417 HydrophobicContact CH2-CD2 3.93Å; W1272-W1417 AromaticContact CH2-CE3 3.88Å; W1272-W1417 HydrophobicContact CH2-CE3 3.88Å; W1272-W1417 HydrophobicContact CH2-CG 4.02Å; W1272-W1417 HydrophobicContact CZ3-CB 4.3Å; W1272-W1417 AromaticContact CZ3-CD2 3.62Å; W1272-W1417 HydrophobicContact CZ3-CD2 3.62Å; W1272-W1417 AromaticContact CZ3-CE3 3.85Å; W1272-W1417 HydrophobicContact CZ3-CE3 3.85Å; W1272-W1417 AromaticContact CZ3-CG 3.84Å; W1272-W1417 HydrophobicContact CZ3-CG 3.84Å; W1272-W1417 HydrophobicContact CZ3-CZ3 4.4Å; V1280-W1417 HydrophobicContact CB-CH2 4.13Å; V1280-W1417 HydrophobicContact CB-CZ2 3.81Å; V1280-W1417 HydrophobicContact CG1-CH2 4.24Å; V1280-W1417 HydrophobicContact CG1-CZ2 3.96Å; V1280-W1417 HydrophobicContact CG2-CZ2 3.88Å; V1381-W1417 HydrophobicContact CG1-CH2 3.95Å; V1381-W1417 HydrophobicContact CG1-CZ2 3.87Å; I1401-W1417 HydrophobicContact CB-CB 4.13Å; I1401-W1417 PolarHBondContact O-N 3.47Å; S1403-W1417 PolarHBondContact OG-NE1 2.92Å; W1417-W1427 HydrophobicContact CB-CE3 4.32Å; W1417-W1427 HydrophobicContact CE3-CB 4.17Å; W1417-T1428 CarbonylContact C-O 3.58Å; W1417-T1428 WeakPolarHBondContact CA-O 3.35Å; W1417-N1429 HydrophobicContact CD2-CB 3.8Å; W1417-N1429 HydrophobicContact CE3-CB 3.94Å; W1417-N1429 HydrophobicContact CG-CB 4.23Å; W1417-N1429 HydrophobicContact CH2-CB 4.48Å; W1417-N1429 WeakPolarHBondContact CH2-ND2 3.36Å; W1417-N1429 HydrophobicContact CZ2-CB 4.34Å; W1417-N1429 WeakPolarHBondContact CZ2-ND2 3.28Å; W1417-N1429 HydrophobicContact CZ3-CB 4.29Å; W1417-N1429 WeakPolarHBondContact CZ3-ND2 3.49Å
1418	K	82.6	Confident	75.9	Confident	88 Å²	88	56.6 Å²	56.6	38%	0.383	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.5	179	66.4	-170.6	179.4	-177.2	0	110.7	T1428 E1430	K1418-T1428 WeakPolarHBondContact CE-OG1 3.23Å; K1418-T1428 VanDerWaalsContact CG-OG1 3.24Å; K1418-T1428 WeakPolarHBondContact CG-OG1 3.46Å; K1418-T1428 PolarHBondContact N-O 3.09Å; K1418-T1428 PolarHBondContact O-N 2.84Å; K1418-T1428 VanDerWaalsContact O-O 3.11Å; K1418-T1428 PolarHBondContact O-OG1 3Å; K1418-E1430 WeakPolarHBondContact CE-OE2 3.23Å; K1418-E1430 IonicContact NZ-OE2 3.31Å; K1418-E1430 PolarHBondContact NZ-OE2 3.29Å
1419	R	78.6	Confident	76.2	Confident	114 Å²	114	58.3 Å²	58.3	43%	0.43	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	143.4	171.5	-119.2	164	160.5	160.5	-5.4	109.7	G1424 I1426 W1427	R1419-G1424 VanDerWaalsContact CZ-O 3.28Å; R1419-G1424 PolarHBondContact NE-O 2.66Å; R1419-G1424 PolarHBondContact NH2-O 3.43Å; R1419-I1426 WeakPolarHBondContact CA-O 3.26Å; R1419-W1427 HydrophobicContact CG-CD2 4.21Å; R1419-W1427 HydrophobicContact CG-CE3 4.46Å; R1419-W1427 HydrophobicContact CG-CH2 4.4Å; R1419-W1427 HydrophobicContact CG-CZ2 4.12Å
1420	D	72.2	Confident	76.7	Confident	49 Å²	49	55.6 Å²	55.6	26%	0.262	30%	0.297	S	S	.	.			trans	-73.5	124.7	171.3	-178.5	5.2	0	0	0	110.2	N1422 N1423 I1426	D1420-N1422 PolarHBondContact O-N 2.91Å; D1420-N1422 PolarHBondContact OD1-N 3.29Å; D1420-N1423 CarbonylContact O-C 3.52Å; D1420-N1423 PolarHBondContact O-N 3.38Å; D1420-I1426 HydrophobicContact CB-CB 4.22Å; D1420-I1426 PolarHBondContact N-O 2.88Å
1421	N	66.8	Low	77.1	Confident	162 Å²	162	54.4 Å²	54.4	87%	0.866	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.1	177.3	-69.7	-11.9	0	0	0	112.6
1422	N	63.2	Low	78	Confident	151 Å²	151	51.9 Å²	51.9	81%	0.807	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-21.5	-179.5	-64.6	-42.5	0	0	0	112.9	D1420	D1420-N1422 PolarHBondContact O-N 2.91Å; D1420-N1422 PolarHBondContact OD1-N 3.29Å
1423	N	60.8	Low	78.4	Confident	81 Å²	81	52.6 Å²	52.6	43%	0.433	28%	0.278	S	S	.	.			trans	-153.2	84.5	-172.2	-154.9	-2.4	0	0	0	110.6	D1420 S1425 I1426	D1420-N1423 CarbonylContact O-C 3.52Å; D1420-N1423 PolarHBondContact O-N 3.38Å; N1423-S1425 PolarHBondContact O-N 2.93Å; N1423-I1426 HydrophobicContact CB-CD1 4.05Å; N1423-I1426 HydrophobicContact CB-CG1 4.27Å; N1423-I1426 WeakPolarHBondContact ND2-CD1 3.37Å; N1423-I1426 PolarHBondContact O-N 3.43Å
1424	G	60.1	Low	78.3	Confident	44 Å²	44	54.2 Å²	54.2	45%	0.454	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	10.7	-169.2	0	0	0	0	0	117.6	R1419	R1419-G1424 VanDerWaalsContact CZ-O 3.28Å; R1419-G1424 PolarHBondContact NE-O 2.66Å; R1419-G1424 PolarHBondContact NH2-O 3.43Å
1425	S	63.4	Low	77.8	Confident	59 Å²	59	56.3 Å²	56.3	41%	0.413	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-21.3	165.9	55.1	0	0	0	0	113	I1376 N1423	I1376-S1425 WeakPolarHBondContact CG2-O 3.39Å; N1423-S1425 PolarHBondContact O-N 2.93Å
1426	I	70.2	Confident	76.9	Confident	74 Å²	74	58.3 Å²	58.3	38%	0.379	31%	0.307	S	S	.	.			trans	-90.1	131.9	-174.3	-57.2	-176.6	0	0	0	110.1	R1419 D1420 N1423 T1428	R1419-I1426 WeakPolarHBondContact CA-O 3.26Å; D1420-I1426 HydrophobicContact CB-CB 4.22Å; D1420-I1426 PolarHBondContact N-O 2.88Å; N1423-I1426 HydrophobicContact CB-CD1 4.05Å; N1423-I1426 HydrophobicContact CB-CG1 4.27Å; N1423-I1426 WeakPolarHBondContact ND2-CD1 3.37Å; N1423-I1426 PolarHBondContact O-N 3.43Å; I1426-T1428 HydrophobicContact CG2-CG2 4.42Å
1427	W	80.2	Confident	75.8	Confident	21 Å²	21	63.4 Å²	63.4	8%	0.08	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.8	169.2	-69.6	88.5	0	0	0	110.2	W1272 V1377 I1401 W1417 R1419	W1272-W1427 HydrophobicContact CH2-CB 4.25Å; W1272-W1427 AromaticContact CH2-CD2 3.76Å; W1272-W1427 HydrophobicContact CH2-CD2 3.76Å; W1272-W1427 AromaticContact CH2-CE3 3.78Å; W1272-W1427 HydrophobicContact CH2-CE3 3.78Å; W1272-W1427 AromaticContact CH2-CG 3.97Å; W1272-W1427 HydrophobicContact CH2-CG 3.97Å; W1272-W1427 HydrophobicContact CH2-CZ3 4.37Å; W1272-W1427 AromaticContact CZ2-CD2 3.52Å; W1272-W1427 HydrophobicContact CZ2-CD2 3.52Å; W1272-W1427 AromaticContact CZ2-CE2 3.63Å; W1272-W1427 AromaticContact CZ2-CE3 3.75Å; W1272-W1427 HydrophobicContact CZ2-CE3 3.75Å; W1272-W1427 AromaticContact CZ2-CG 3.95Å; W1272-W1427 HydrophobicContact CZ2-CG 3.95Å; W1272-W1427 HydrophobicContact CZ2-CH2 4.15Å; W1272-W1427 AromaticContact CZ2-CZ2 3.96Å; W1272-W1427 HydrophobicContact CZ2-CZ2 3.96Å; W1272-W1427 HydrophobicContact CZ2-CZ3 4.06Å; V1377-W1427 HydrophobicContact CG2-CB 4.25Å; I1401-W1427 HydrophobicContact CD1-CH2 3.96Å; I1401-W1427 HydrophobicContact CD1-CZ3 4.15Å; W1417-W1427 HydrophobicContact CB-CE3 4.32Å; W1417-W1427 HydrophobicContact CE3-CB 4.17Å; R1419-W1427 HydrophobicContact CG-CD2 4.21Å; R1419-W1427 HydrophobicContact CG-CE3 4.46Å; R1419-W1427 HydrophobicContact CG-CH2 4.4Å; R1419-W1427 HydrophobicContact CG-CZ2 4.12Å
1428	T	82.6	Confident	74.8	Confident	50 Å²	50	72.1 Å²	72.1	31%	0.307	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	164	173.7	62.2	0	0	0	0	109	W1417 K1418 I1426	W1417-T1428 CarbonylContact C-O 3.58Å; W1417-T1428 WeakPolarHBondContact CA-O 3.35Å; K1418-T1428 WeakPolarHBondContact CE-OG1 3.23Å; K1418-T1428 VanDerWaalsContact CG-OG1 3.24Å; K1418-T1428 WeakPolarHBondContact CG-OG1 3.46Å; K1418-T1428 PolarHBondContact N-O 3.09Å; K1418-T1428 PolarHBondContact O-N 2.84Å; K1418-T1428 VanDerWaalsContact O-O 3.11Å; K1418-T1428 PolarHBondContact O-OG1 3Å; I1426-T1428 HydrophobicContact CG2-CG2 4.42Å
1429	N	87.3	Confident	74.1	Confident	57 Å²	57	70.9 Å²	70.9	31%	0.305	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161	174.4	54.4	46.9	0	0	0	111.9	L1415 K1416 W1417	L1415-N1429 HydrophobicContact CB-CB 4.38Å; K1416-N1429 CarbonylContact O-C 3.58Å; K1416-N1429 WeakPolarHBondContact O-CA 3.32Å; W1417-N1429 HydrophobicContact CD2-CB 3.8Å; W1417-N1429 HydrophobicContact CE3-CB 3.94Å; W1417-N1429 HydrophobicContact CG-CB 4.23Å; W1417-N1429 HydrophobicContact CH2-CB 4.48Å; W1417-N1429 WeakPolarHBondContact CH2-ND2 3.36Å; W1417-N1429 HydrophobicContact CZ2-CB 4.34Å; W1417-N1429 WeakPolarHBondContact CZ2-ND2 3.28Å; W1417-N1429 HydrophobicContact CZ3-CB 4.29Å; W1417-N1429 WeakPolarHBondContact CZ3-ND2 3.49Å
1430	E	86.1	Confident	73.7	Confident	36 Å²	36	72.7 Å²	72.7	17%	0.168	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.3	173.7	58	-170.3	-160.4	0	0	109.4	N1059 K1416 K1418	N1059-E1430 PolarHBondContact ND2-OE1 2.75Å; N1059-E1430 PolarHBondContact OD1-OE1 2.91Å; K1416-E1430 HydrophobicContact CB-CG 4.09Å; K1416-E1430 HydrophobicContact CD-CG 4.05Å; K1416-E1430 VanDerWaalsContact CD-OE1 3.31Å; K1416-E1430 WeakPolarHBondContact CD-OE1 3.47Å; K1416-E1430 VanDerWaalsContact CE-OE1 3.26Å; K1416-E1430 WeakPolarHBondContact CE-OE1 3.21Å; K1416-E1430 HydrophobicContact CG-CG 4.33Å; K1416-E1430 PolarHBondContact N-O 3.45Å; K1416-E1430 IonicContact NZ-OE1 2.68Å; K1416-E1430 PolarHBondContact NZ-OE1 3.19Å; K1416-E1430 PolarHBondContact O-N 2.94Å; K1418-E1430 WeakPolarHBondContact CE-OE2 3.23Å; K1418-E1430 IonicContact NZ-OE2 3.31Å; K1418-E1430 PolarHBondContact NZ-OE2 3.29Å
1431	P	85.1	Confident	73.7	Confident	9 Å²	9	72.9 Å²	72.9	6%	0.058	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	148.7	179.5	30.4	-35.5	0	0	0	111.8	L1415 Y1433 P1445 M1448	L1415-P1431 HydrophobicContact CD2-CB 4.05Å; P1431-Y1433 HydrophobicContact CG-CE1 4.1Å; P1431-P1445 HydrophobicContact CB-CG 4.24Å; P1431-P1445 HydrophobicContact CG-CG 4.38Å; P1431-M1448 HydrophobicContact CG-CE 3.59Å; P1431-M1448 HydrophobicContact CG-SD 4.37Å
1432	I	85.3	Confident	73.8	Confident	12 Å²	12	69.7 Å²	69.7	6%	0.062	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-92.8	122.3	170.2	-79	155.1	0	0	0	108.4	V1054 M1061 I1402 V1414 K1416	V1054-I1432 HydrophobicContact CG1-CD1 3.9Å; V1054-I1432 HydrophobicContact CG1-CG1 4.16Å; V1054-I1432 HydrophobicContact CG1-CG2 3.57Å; V1054-I1432 HydrophobicContact CG2-CG2 4.46Å; M1061-I1432 HydrophobicContact CB-CG2 3.7Å; I1402-I1432 HydrophobicContact CD1-CD1 3.6Å; V1414-I1432 HydrophobicContact CB-CB 4.27Å; V1414-I1432 HydrophobicContact CG1-CB 4.15Å; V1414-I1432 HydrophobicContact CG1-CD1 3.67Å; V1414-I1432 HydrophobicContact CG1-CG2 4.45Å; V1414-I1432 PolarHBondContact O-N 2.86Å; K1416-I1432 HydrophobicContact CB-CD1 3.93Å; K1416-I1432 HydrophobicContact CB-CG1 4.28Å
1433	Y	81.6	Confident	74	Confident	56 Å²	56	70.5 Å²	70.5	22%	0.22	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138	-174.4	-57.4	-72.1	0	0	0	111.4	N1059 C1060 M1061 P1431 L1444 M1448	N1059-Y1433 HydrophobicContact CB-CD2 4.35Å; N1059-Y1433 PolarHBondContact O-N 3.48Å; C1060-Y1433 CarbonylContact C-O 3.12Å; M1061-Y1433 PolarHBondContact N-O 3.04Å; P1431-Y1433 HydrophobicContact CG-CE1 4.1Å; Y1433-L1444 HydrophobicContact CD1-CD2 3.93Å; Y1433-L1444 HydrophobicContact CE1-CD2 3.65Å; Y1433-M1448 HydrophobicContact CE1-SD 3.87Å
1434	V	78.7	Confident	74.1	Confident	41 Å²	41	69.3 Å²	69.3	25%	0.248	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.5	173.2	-173.4	0	0	0	0	109.1	M1061 R1443	M1061-V1434 HydrophobicContact CE-CG2 3.79Å; M1061-V1434 WeakPolarHBondContact O-CA 3.36Å; V1434-R1443 HydrophobicContact CB-CB 4.19Å; V1434-R1443 PolarHBondContact O-N 3.48Å
1435	F	79.2	Confident	73.9	Confident	48 Å²	48	67.7 Å²	67.7	21%	0.211	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.7	171.4	-179.5	-87.2	0	0	0	110.1	C1060 M1061 R1437 H1440 L1442	C1060-F1435 WeakPolarHBondContact SG-CB 3.46Å; M1061-F1435 PolarHBondContact O-N 2.99Å; F1435-R1437 HydrophobicContact CE1-CG 4.41Å; F1435-H1440 HydrophobicContact CZ-CB 4.49Å; F1435-H1440 AromaticContact CZ-ND1 3.9Å; F1435-L1442 HydrophobicContact CB-CD2 4.13Å; F1435-L1442 HydrophobicContact CD2-CD2 4.08Å; F1435-L1442 HydrophobicContact CD2-CG 4.43Å
1436	D	70.9	Confident	73.4	Confident	45 Å²	45	66.1 Å²	66.1	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.6	174.7	174.4	13.2	0	0	0	110.1	E1438 S1439 H1440 S1441	D1436-E1438 VanDerWaalsContact C-N 3.34Å; D1436-E1438 PolarHBondContact OD1-N 2.7Å; D1436-S1439 WeakPolarHBondContact CB-OG 3.48Å; D1436-S1439 VanDerWaalsContact OD2-CB 3.27Å; D1436-S1439 WeakPolarHBondContact OD2-CB 3.35Å; D1436-S1439 PolarHBondContact OD2-N 3.46Å; D1436-S1439 PolarHBondContact OD2-OG 3.03Å; D1436-H1440 VanDerWaalsContact O-CA 3.28Å; D1436-H1440 WeakPolarHBondContact O-CA 3.49Å; D1436-H1440 PolarHBondContact O-N 3Å; D1436-S1441 PolarHBondContact N-O 3.2Å; D1436-S1441 PolarHBondContact O-N 2.9Å
1437	R	68.2	Low	72.8	Confident	132 Å²	132	66.9 Å²	66.9	50%	0.498	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.1	178	-79.2	-176.1	173.4	165.7	1.8	112.8	Q1062 S1063 I1064 F1435	Q1062-R1437 VanDerWaalsContact CD-NE 3.28Å; Q1062-R1437 HydrophobicContact CG-CG 4.16Å; Q1062-R1437 VanDerWaalsContact OE1-CZ 3.25Å; S1063-R1437 PolarHBondContact O-NH1 3.09Å; I1064-R1437 PolarHBondContact O-NH1 3.42Å; F1435-R1437 HydrophobicContact CE1-CG 4.41Å
1438	E	66.8	Low	71.8	Confident	185 Å²	185	68.1 Å²	68.1	86%	0.864	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-44	-176.7	-63.3	-169.9	162	0	0	112	D1436	D1436-E1438 VanDerWaalsContact C-N 3.34Å; D1436-E1438 PolarHBondContact OD1-N 2.7Å
1439	S	67.9	Low	70.8	Confident	63 Å²	63	71.7 Å²	71.7	44%	0.441	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.1	176.8	66.3	0	0	0	0	114.5	D1436 S1441	D1436-S1439 WeakPolarHBondContact CB-OG 3.48Å; D1436-S1439 VanDerWaalsContact OD2-CB 3.27Å; D1436-S1439 WeakPolarHBondContact OD2-CB 3.35Å; D1436-S1439 PolarHBondContact OD2-N 3.46Å; D1436-S1439 PolarHBondContact OD2-OG 3.03Å; S1439-S1441 PolarHBondContact O-N 3.41Å; S1439-S1441 VanDerWaalsContact O-N 3.14Å; S1439-S1441 WeakPolarHBondContact OG-CB 3.41Å; S1439-S1441 PolarHBondContact OG-OG 3.43Å
1440	H	71.6	Confident	69.3	Low	151 Å²	151	74 Å²	74	70%	0.699	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	31.1	-169.9	-76.5	-70.1	0	0	0	113.5	F1435 D1436	F1435-H1440 HydrophobicContact CZ-CB 4.49Å; F1435-H1440 AromaticContact CZ-ND1 3.9Å; D1436-H1440 VanDerWaalsContact O-CA 3.28Å; D1436-H1440 WeakPolarHBondContact O-CA 3.49Å; D1436-H1440 PolarHBondContact O-N 3Å
1441	S	71	Confident	67.8	Low	53 Å²	53	75.1 Å²	75.1	37%	0.371	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.4	-170.9	81.8	0	0	0	0	113.4	D1436 S1439	D1436-S1441 PolarHBondContact N-O 3.2Å; D1436-S1441 PolarHBondContact O-N 2.9Å; S1439-S1441 PolarHBondContact O-N 3.41Å; S1439-S1441 VanDerWaalsContact O-N 3.14Å; S1439-S1441 WeakPolarHBondContact OG-CB 3.41Å; S1439-S1441 PolarHBondContact OG-OG 3.43Å
1442	L	69.8	Low	66.4	Low	96 Å²	96	78.2 Å²	78.2	50%	0.503	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.2	174.9	-71.2	165.6	0	0	0	109.8	F1435 L1444	F1435-L1442 HydrophobicContact CB-CD2 4.13Å; F1435-L1442 HydrophobicContact CD2-CD2 4.08Å; F1435-L1442 HydrophobicContact CD2-CG 4.43Å; L1442-L1444 PolarHBondContact O-N 2.84Å; L1442-L1444 VanDerWaalsContact O-N 3.14Å
1443	R	67.7	Low	64.9	Low	167 Å²	167	81.4 Å²	81.4	63%	0.63	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	104.6	168.7	-92.3	-174.3	179.2	-178	4.1	109.7	V1434	V1434-R1443 HydrophobicContact CB-CB 4.19Å; V1434-R1443 PolarHBondContact O-N 3.48Å
1444	L	61.8	Low	63.7	Low	56 Å²	56	84 Å²	84	29%	0.293	42%	0.419	S	S	.	.			trans	-71.3	144.8	170.2	-68	168.5	0	0	0	111.3	Y1433 L1442 M1448 R1449 L1452	Y1433-L1444 HydrophobicContact CD1-CD2 3.93Å; Y1433-L1444 HydrophobicContact CE1-CD2 3.65Å; L1442-L1444 PolarHBondContact O-N 2.84Å; L1442-L1444 VanDerWaalsContact O-N 3.14Å; L1444-M1448 HydrophobicContact CB-CB 4.42Å; L1444-M1448 HydrophobicContact CD2-SD 4.44Å; L1444-R1449 HydrophobicContact CB-CG 3.86Å; L1444-R1449 PolarHBondContact O-NE 3.42Å; L1444-R1449 PolarHBondContact O-NH2 3.21Å; L1444-L1452 HydrophobicContact CD1-CD1 3.51Å
1445	P	55.6	Low	62.6	Low	11 Å²	11	87.1 Å²	87.1	7%	0.071	43%	0.432	C	S	.	.			trans	-51.4	148.8	165.6	-27.8	35.8	0	0	0	112.4	D1411 P1431 Y1447 M1448 R1449	D1411-P1445 HydrophobicContact CB-CB 4.07Å; D1411-P1445 WeakPolarHBondContact O-CB 3.33Å; D1411-P1445 WeakPolarHBondContact O-CG 3.29Å; P1431-P1445 HydrophobicContact CB-CG 4.24Å; P1431-P1445 HydrophobicContact CG-CG 4.38Å; P1445-Y1447 HydrophobicContact CB-CD1 3.6Å; P1445-Y1447 HydrophobicContact CB-CE1 3.29Å; P1445-Y1447 HydrophobicContact CB-CG 4.46Å; P1445-Y1447 HydrophobicContact CG-CE1 3.98Å; P1445-Y1447 PolarHBondContact O-N 3.03Å; P1445-M1448 HydrophobicContact CB-CB 4.37Å; P1445-M1448 HydrophobicContact CB-CG 4.32Å; P1445-M1448 HydrophobicContact CG-CG 4.41Å; P1445-M1448 HydrophobicContact CG-SD 4.44Å; P1445-M1448 CarbonylContact O-C 3.52Å; P1445-M1448 WeakPolarHBondContact O-CB 3.36Å; P1445-M1448 PolarHBondContact O-N 2.86Å; P1445-M1448 VanDerWaalsContact O-N 3.12Å; P1445-R1449 PolarHBondContact O-N 3.47Å
1446	A	53.8	Low	61.4	Low	25 Å²	25	90.6 Å²	90.6	21%	0.207	45%	0.45	C	S	.	.	H	α-helix	trans	-67	-33.4	-177	0	0	0	0	0	112.8	D1411 M1448 R1449 N1450	D1411-A1446 WeakPolarHBondContact OD1-CB 3.46Å; D1411-A1446 PolarHBondContact OD1-N 3.36Å; D1411-A1446 WeakPolarHBondContact OD2-CA 3.32Å; D1411-A1446 WeakPolarHBondContact OD2-CB 3.45Å; D1411-A1446 PolarHBondContact OD2-N 2.89Å; A1446-M1448 VanDerWaalsContact C-N 3.33Å; A1446-M1448 PolarHBondContact O-N 3.22Å; A1446-R1449 PolarHBondContact O-N 2.91Å; A1446-N1450 WeakPolarHBondContact O-CB 3.44Å; A1446-N1450 VanDerWaalsContact O-CG 3.3Å; A1446-N1450 PolarHBondContact O-N 3.27Å
1447	Y	56.7	Low	60.4	Low	91 Å²	91	94.9 Å²	94.9	36%	0.357	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-40	169.3	71.9	-90	0	0	0	112.3	D1411 D1412 P1445 N1450 S1451	D1411-Y1447 HydrophobicContact CB-CD1 3.9Å; D1411-Y1447 HydrophobicContact CB-CE1 4.15Å; D1411-Y1447 PolarHBondContact OD2-N 2.9Å; D1411-Y1447 VanDerWaalsContact OD2-N 3.16Å; D1412-Y1447 VanDerWaalsContact CG-CE1 3.44Å; D1412-Y1447 WeakPolarHBondContact OD1-CE1 3.44Å; D1412-Y1447 VanDerWaalsContact OD1-CZ 3.29Å; D1412-Y1447 PolarHBondContact OD1-OH 2.98Å; D1412-Y1447 WeakPolarHBondContact OD2-CE1 3.41Å; P1445-Y1447 HydrophobicContact CB-CD1 3.6Å; P1445-Y1447 HydrophobicContact CB-CE1 3.29Å; P1445-Y1447 HydrophobicContact CB-CG 4.46Å; P1445-Y1447 HydrophobicContact CG-CE1 3.98Å; P1445-Y1447 PolarHBondContact O-N 3.03Å; Y1447-N1450 PolarHBondContact O-N 3.33Å; Y1447-S1451 WeakPolarHBondContact O-CB 3.24Å; Y1447-S1451 PolarHBondContact O-N 2.83Å
1448	M	60.5	Low	59.4	Low	47 Å²	47	93 Å²	93	23%	0.232	47%	0.468	C	S	.	.	H	α-helix	trans	-67.1	-40.5	173.5	-71	-161.3	173.4	0	0	111.8	P1431 Y1433 L1444 P1445 A1446 S1451 L1452	P1431-M1448 HydrophobicContact CG-CE 3.59Å; P1431-M1448 HydrophobicContact CG-SD 4.37Å; Y1433-M1448 HydrophobicContact CE1-SD 3.87Å; L1444-M1448 HydrophobicContact CB-CB 4.42Å; L1444-M1448 HydrophobicContact CD2-SD 4.44Å; P1445-M1448 HydrophobicContact CB-CB 4.37Å; P1445-M1448 HydrophobicContact CB-CG 4.32Å; P1445-M1448 HydrophobicContact CG-CG 4.41Å; P1445-M1448 HydrophobicContact CG-SD 4.44Å; P1445-M1448 CarbonylContact O-C 3.52Å; P1445-M1448 WeakPolarHBondContact O-CB 3.36Å; P1445-M1448 PolarHBondContact O-N 2.86Å; P1445-M1448 VanDerWaalsContact O-N 3.12Å; A1446-M1448 VanDerWaalsContact C-N 3.33Å; A1446-M1448 PolarHBondContact O-N 3.22Å; M1448-S1451 PolarHBondContact O-N 3.32Å; M1448-L1452 VanDerWaalsContact O-CB 3.3Å; M1448-L1452 WeakPolarHBondContact O-CB 3.47Å; M1448-L1452 PolarHBondContact O-N 3.1Å
1449	R	61.9	Low	58.5	Low	125 Å²	125	90.5 Å²	90.5	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-61.6	-42.7	173.5	-76.1	-179.4	-89.6	133	-1.1	111.9	L1444 P1445 A1446 L1452 C1453	L1444-R1449 HydrophobicContact CB-CG 3.86Å; L1444-R1449 PolarHBondContact O-NE 3.42Å; L1444-R1449 PolarHBondContact O-NH2 3.21Å; P1445-R1449 PolarHBondContact O-N 3.47Å; A1446-R1449 PolarHBondContact O-N 2.91Å; R1449-L1452 PolarHBondContact O-N 3.21Å; R1449-C1453 VanDerWaalsContact O-CB 3.27Å; R1449-C1453 WeakPolarHBondContact O-CB 3.45Å; R1449-C1453 PolarHBondContact O-N 3.08Å; R1449-C1453 PolarHBondContact O-SG 2.98Å; R1449-C1453 VanDerWaalsContact O-SG 3.34Å
1450	N	54.1	Low	57.3	Low	104 Å²	104	94.2 Å²	94.2	56%	0.556	46%	0.462	S	S	*	.	H	α-helix	trans	-66.6	-43.2	177.1	-72.8	-11.8	0	0	0	111.4	A1446 Y1447 C1453 L1454	A1446-N1450 WeakPolarHBondContact O-CB 3.44Å; A1446-N1450 VanDerWaalsContact O-CG 3.3Å; A1446-N1450 PolarHBondContact O-N 3.27Å; Y1447-N1450 PolarHBondContact O-N 3.33Å; N1450-C1453 PolarHBondContact O-N 3.16Å; N1450-L1454 WeakPolarHBondContact O-CB 3.39Å; N1450-L1454 WeakPolarHBondContact O-CG 3.45Å; N1450-L1454 PolarHBondContact O-N 3.32Å
1451	S	55.1	Low	56	Low	60 Å²	60	89.3 Å²	89.3	42%	0.42	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-41.9	175.3	-170.4	0	0	0	0	112.2	Y1447 M1448 L1454 Q1455	Y1447-S1451 WeakPolarHBondContact O-CB 3.24Å; Y1447-S1451 PolarHBondContact O-N 2.83Å; M1448-S1451 PolarHBondContact O-N 3.32Å; S1451-L1454 PolarHBondContact O-N 3.49Å; S1451-Q1455 WeakPolarHBondContact O-CB 3.48Å; S1451-Q1455 WeakPolarHBondContact O-CG 3.43Å; S1451-Q1455 PolarHBondContact O-N 2.98Å
1452	L	56	Low	54.7	Low	75 Å²	75	91.8 Å²	91.8	39%	0.393	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-39.5	173.1	-86.2	160.9	0	0	0	112.4	L1444 M1448 R1449 L1454 Q1455 M1456	L1444-L1452 HydrophobicContact CD1-CD1 3.51Å; M1448-L1452 VanDerWaalsContact O-CB 3.3Å; M1448-L1452 WeakPolarHBondContact O-CB 3.47Å; M1448-L1452 PolarHBondContact O-N 3.1Å; R1449-L1452 PolarHBondContact O-N 3.21Å; L1452-L1454 VanDerWaalsContact C-N 3.35Å; L1452-Q1455 PolarHBondContact O-N 3.45Å; L1452-M1456 VanDerWaalsContact O-CB 3.25Å; L1452-M1456 WeakPolarHBondContact O-CB 3.32Å; L1452-M1456 WeakPolarHBondContact O-CG 3.46Å; L1452-M1456 PolarHBondContact O-N 3.31Å
1453	C	54.9	Low	53.6	Low	78 Å²	78	93.2 Å²	93.2	53%	0.527	46%	0.46	S	S	.	.	H	α-helix	trans	-62.3	-41.5	172.6	-80.9	0	0	0	0	111.5	R1449 N1450 M1456 H1457	R1449-C1453 VanDerWaalsContact O-CB 3.27Å; R1449-C1453 WeakPolarHBondContact O-CB 3.45Å; R1449-C1453 PolarHBondContact O-N 3.08Å; R1449-C1453 PolarHBondContact O-SG 2.98Å; R1449-C1453 VanDerWaalsContact O-SG 3.34Å; N1450-C1453 PolarHBondContact O-N 3.16Å; C1453-M1456 PolarHBondContact O-N 3.07Å; C1453-H1457 WeakPolarHBondContact O-CB 3.45Å; C1453-H1457 PolarHBondContact O-N 3.26Å
1454	L	55.1	Low	52.4	Low	110 Å²	110	92.9 Å²	92.9	58%	0.576	47%	0.468	S	S	*	.	H	α-helix	trans	-66	-41.7	174.3	-75.3	163.8	0	0	0	111.9	N1450 S1451 L1452 H1457 N1458	N1450-L1454 WeakPolarHBondContact O-CB 3.39Å; N1450-L1454 WeakPolarHBondContact O-CG 3.45Å; N1450-L1454 PolarHBondContact O-N 3.32Å; S1451-L1454 PolarHBondContact O-N 3.49Å; L1452-L1454 VanDerWaalsContact C-N 3.35Å; L1454-H1457 PolarHBondContact O-N 3Å; L1454-N1458 VanDerWaalsContact O-CB 3.29Å; L1454-N1458 WeakPolarHBondContact O-CB 3.23Å; L1454-N1458 VanDerWaalsContact O-CG 3.26Å; L1454-N1458 PolarHBondContact O-N 3.47Å; L1454-N1458 PolarHBondContact O-ND2 3.11Å
1455	Q	55.2	Low	51.3	Low	108 Å²	108	96.9 Å²	96.9	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-67	-34.8	173.3	-73.3	-171.6	12.7	0	0	112.7	S1451 L1452 K1459	S1451-Q1455 WeakPolarHBondContact O-CB 3.48Å; S1451-Q1455 WeakPolarHBondContact O-CG 3.43Å; S1451-Q1455 PolarHBondContact O-N 2.98Å; L1452-Q1455 PolarHBondContact O-N 3.45Å; Q1455-K1459 VanDerWaalsContact O-CB 3.3Å; Q1455-K1459 WeakPolarHBondContact O-CB 3.11Å; Q1455-K1459 WeakPolarHBondContact O-CG 3.34Å; Q1455-K1459 PolarHBondContact O-N 3.32Å
1456	M	54.8	Low	50.1	Low	121 Å²	121	105.4 Å²	105.4	60%	0.596	53%	0.534	S	S	*	.	H	α-helix	trans	-69.5	-39.5	173.5	-74.8	-75.2	-170.7	0	0	111.4	L1452 C1453 K1460	L1452-M1456 VanDerWaalsContact O-CB 3.25Å; L1452-M1456 WeakPolarHBondContact O-CB 3.32Å; L1452-M1456 WeakPolarHBondContact O-CG 3.46Å; L1452-M1456 PolarHBondContact O-N 3.31Å; C1453-M1456 PolarHBondContact O-N 3.07Å; M1456-K1460 WeakPolarHBondContact O-CB 3.43Å; M1456-K1460 WeakPolarHBondContact O-CG 2.91Å; M1456-K1460 PolarHBondContact O-N 3.43Å
1457	H	49.8	Very low	50	Low	134 Å²	134	109.4 Å²	109.4	62%	0.62	55%	0.551	S	S	*	*	H	α-helix	trans	-67.9	-42.4	174.1	-112.6	-55.1	0	0	0	111.7	C1453 L1454 K1460 S1461	C1453-H1457 WeakPolarHBondContact O-CB 3.45Å; C1453-H1457 PolarHBondContact O-N 3.26Å; L1454-H1457 PolarHBondContact O-N 3Å; H1457-K1460 CarbonylContact O-C 3.57Å; H1457-K1460 PolarHBondContact O-N 3.26Å; H1457-S1461 PolarHBondContact O-N 2.87Å; H1457-S1461 PolarHBondContact O-OG 2.82Å
1458	N	48	Very low	49.6	Very low	93 Å²	93	110.4 Å²	110.4	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-67.5	-37	175.6	-72.8	-17.3	0	0	0	111.8	L1454 S1461 I1462	L1454-N1458 VanDerWaalsContact O-CB 3.29Å; L1454-N1458 WeakPolarHBondContact O-CB 3.23Å; L1454-N1458 VanDerWaalsContact O-CG 3.26Å; L1454-N1458 PolarHBondContact O-N 3.47Å; L1454-N1458 PolarHBondContact O-ND2 3.11Å; N1458-S1461 WeakPolarHBondContact CA-OG 3.44Å; N1458-S1461 PolarHBondContact O-N 2.74Å; N1458-S1461 PolarHBondContact O-OG 3.24Å; N1458-S1461 VanDerWaalsContact O-OG 3.07Å; N1458-I1462 VanDerWaalsContact O-CB 3.31Å; N1458-I1462 WeakPolarHBondContact O-CB 3.43Å; N1458-I1462 WeakPolarHBondContact O-CD1 3.42Å; N1458-I1462 WeakPolarHBondContact O-CG1 3.36Å; N1458-I1462 PolarHBondContact O-N 2.89Å
1459	K	46.9	Very low	49	Very low	132 Å²	132	113.9 Å²	113.9	57%	0.574	58%	0.579	S	S	*	*	H	α-helix	trans	-64.7	-41.4	169.2	-79.7	179.4	175.2	177.6	0	111.5	Q1455 I1462 I1463	Q1455-K1459 VanDerWaalsContact O-CB 3.3Å; Q1455-K1459 WeakPolarHBondContact O-CB 3.11Å; Q1455-K1459 WeakPolarHBondContact O-CG 3.34Å; Q1455-K1459 PolarHBondContact O-N 3.32Å; K1459-I1462 PolarHBondContact O-N 3.22Å; K1459-I1463 VanDerWaalsContact O-CB 3.28Å; K1459-I1463 WeakPolarHBondContact O-CB 3.49Å; K1459-I1463 WeakPolarHBondContact O-CD1 3.43Å; K1459-I1463 WeakPolarHBondContact O-CG1 3.43Å; K1459-I1463 PolarHBondContact O-N 2.98Å
1460	K	43.9	Very low	48.2	Very low	141 Å²	141	113.2 Å²	113.2	61%	0.613	59%	0.585	S	S	*	*	H	α-helix	trans	-64.3	-37.4	174.7	-81.2	-175.8	174.5	-177.2	0	113.2	M1456 H1457 I1463 M1464	M1456-K1460 WeakPolarHBondContact O-CB 3.43Å; M1456-K1460 WeakPolarHBondContact O-CG 2.91Å; M1456-K1460 PolarHBondContact O-N 3.43Å; H1457-K1460 CarbonylContact O-C 3.57Å; H1457-K1460 PolarHBondContact O-N 3.26Å; K1460-I1463 CarbonylContact O-C 3.58Å; K1460-I1463 PolarHBondContact O-N 3.48Å; K1460-M1464 WeakPolarHBondContact O-CB 3.32Å; K1460-M1464 WeakPolarHBondContact O-CG 3.39Å; K1460-M1464 PolarHBondContact O-N 3.18Å
1461	S	42.9	Very low	47.9	Very low	49 Å²	49	113.8 Å²	113.8	34%	0.343	59%	0.587	S	S	.	*	H	α-helix	trans	-73.9	-35.7	176.2	63.1	0	0	0	0	112.4	H1457 N1458 I1463 M1464 N1465	H1457-S1461 PolarHBondContact O-N 2.87Å; H1457-S1461 PolarHBondContact O-OG 2.82Å; N1458-S1461 WeakPolarHBondContact CA-OG 3.44Å; N1458-S1461 PolarHBondContact O-N 2.74Å; N1458-S1461 PolarHBondContact O-OG 3.24Å; N1458-S1461 VanDerWaalsContact O-OG 3.07Å; S1461-I1463 VanDerWaalsContact C-N 3.28Å; S1461-I1463 PolarHBondContact O-N 2.82Å; S1461-M1464 PolarHBondContact O-N 3.43Å; S1461-N1465 WeakPolarHBondContact O-CB 3.46Å; S1461-N1465 PolarHBondContact O-N 2.81Å
1462	I	44.8	Very low	47.4	Very low	104 Å²	104	117.4 Å²	117.4	53%	0.533	60%	0.598	S	S	.	*	H	α-helix	trans	-66.8	-29.8	171.6	-68.3	167	0	0	0	111.5	N1458 K1459 N1466	N1458-I1462 VanDerWaalsContact O-CB 3.31Å; N1458-I1462 WeakPolarHBondContact O-CB 3.43Å; N1458-I1462 WeakPolarHBondContact O-CD1 3.42Å; N1458-I1462 WeakPolarHBondContact O-CG1 3.36Å; N1458-I1462 PolarHBondContact O-N 2.89Å; K1459-I1462 PolarHBondContact O-N 3.22Å; I1462-N1466 PolarHBondContact O-ND2 3.43Å
1463	I	46.3	Very low	46.8	Very low	127 Å²	127	120.4 Å²	120.4	65%	0.651	61%	0.613	S	S	*	*	H	α-helix	trans	-86.6	-10.7	175.7	-65.7	167.8	0	0	0	112.7	K1459 K1460 S1461	K1459-I1463 VanDerWaalsContact O-CB 3.28Å; K1459-I1463 WeakPolarHBondContact O-CB 3.49Å; K1459-I1463 WeakPolarHBondContact O-CD1 3.43Å; K1459-I1463 WeakPolarHBondContact O-CG1 3.43Å; K1459-I1463 PolarHBondContact O-N 2.98Å; K1460-I1463 CarbonylContact O-C 3.58Å; K1460-I1463 PolarHBondContact O-N 3.48Å; S1461-I1463 VanDerWaalsContact C-N 3.28Å; S1461-I1463 PolarHBondContact O-N 2.82Å
1464	M	43.3	Very low	46.1	Very low	160 Å²	160	123.7 Å²	123.7	79%	0.788	62%	0.62	S	S	*	*	H	α-helix	trans	-100.2	-9.1	169.8	-75.3	-171.4	178.9	0	0	113.8	K1460 S1461	K1460-M1464 WeakPolarHBondContact O-CB 3.32Å; K1460-M1464 WeakPolarHBondContact O-CG 3.39Å; K1460-M1464 PolarHBondContact O-N 3.18Å; S1461-M1464 PolarHBondContact O-N 3.43Å
1465	N	38.2	Very low	45.4	Very low	139 Å²	139	124.8 Å²	124.8	74%	0.743	62%	0.623	S	S	*	*			trans	-108.1	18	176.5	-72.9	-20.8	0	0	0	112.7	S1461	S1461-N1465 WeakPolarHBondContact O-CB 3.46Å; S1461-N1465 PolarHBondContact O-N 2.81Å
1466	N	30.9	Very low	44.5	Very low	190 Å²	190	126.4 Å²	126.4	100%	1.016	63%	0.634	S	S	*	*			trans	-132.3	0	166.3	-71.6	-80	0	0	0	108.8	I1462	I1462-N1466 PolarHBondContact O-ND2 3.43Å

Retrieved 1,466 of 1,466 residues in 3395.4 ms (Link to these results)

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