A0A077ZIT1_TRITR Loading...

Nucleolar protein 6

Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A077ZIT1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,055 aa.

						>A0A077ZIT1_TRITR|A0A077ZIT1
MSRSVPETLFSETDEYELQAQALLSSIRKDAETQDVLKNYVAALKSMILETTQKSFATEIYDNLSLIVKAANRFKLQAYVLGLQRLVSGRFHFILLPPVAIHIVGSYPLGLCIDSVASIDLALEMPTGMFDKGDASSYAYHLKTSFVLLAVADRVRSSALVKQISITYRHDDPRKLTMVIVPPDPLQNCCQVNLFAFASPNTFPLRRFAPSVIHLSKDKFEEARNLNLKALPSPLYNQSILRDLTLLSTRDYLLLLPEKCICVVLLLRAWLRCRQLDRGCGGLSCTFASMFVSHLLKGKQLREGDTVWSNFKAVLSAIVHLNMKVTPISIGPKEGDVSNVSIASFQENFELVFIDPTGFVNICSDCTETIWKQVQHEASLSLQAISEEQPDLTFIGLFQQQLPFAEKFDICFTLNARDCLRKFACTSVQTCSRYIDSAYMVYESSWSKIQSTLFQAFGDRILLIGKTLIDFSKVNPKDDSVFPEPSPLVFGLLMESNSQTDRLIRGPRTEEPQAAKFREFWGELSQLRKFQGHGTCEAVLFDEDQRTTVTVKIVEYIMQRHFSIPKEAIRSNDSLIVYPPKNAFRKKPKAAAQAKEQTFKDTFDHLEKKLNLLSELPFNIIDVAKLSPAFYDCEINSPVASQDSQKFVDIVFDCAVPKWNAGQLPPWRQSLEVLASINLNAKHLKDISELRRLKQAVCLIISDGLKKLKCVTKPFGCDLLILEGGYVFRLLIRCAGEESVYESLPDGSKLTVDMNTSRVSHARHMTSLCNHFEALASTIRTAKQWISCRMLSDYLKDEAVELIVLSLFLCPFPYTSPRHHFSGFLRFLRLLATYDWTFNPLVVNIGGQLKNDDIAEIKREFRNLRPSLPPFCLVTPENRLGNRWTQQQPCASVADWICRLARNAIDQLEKPAVLTTTYWKNRANSFAPPLRHFNAIIQLAEGKVTCRQRPQEAIDVPHTPLAMPVIDFNSVSLYLRDLRETYGQLALFFYNHWQGTSIGVIWKPSFISMLRKNNADNKTLSEAANEIIKGFYHLGAELVQKIIVQEDAKSKETNE
					

Structure Viewer

Loading PAE data...

(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	37	Very low	37.5	Very low	238 Å²	238	149.7 Å²	149.7	100%	1.172	80%	0.801	S	S	*	*				0	100.3	0	-73.7	-176.4	-178.4	0	0	108.2	R3	M1-R3 PolarHBondContact O-N 3.36Å; M1-R3 VanDerWaalsContact O-N 3.12Å
2	S	33.4	Very low	38.9	Very low	124 Å²	124	145.3 Å²	145.3	87%	0.867	77%	0.771	S	S	*	*			trans	-72.3	96.6	177.4	48.1	0	0	0	0	109.7	S4	S2-S4 PolarHBondContact O-N 3.42Å
3	R	37.2	Very low	40.4	Very low	234 Å²	234	139.5 Å²	139.5	88%	0.883	75%	0.745	S	S	*	*			trans	-83.6	97.7	164.7	-79.1	-176.3	175.3	177.4	-1.6	108	M1 V5	M1-R3 PolarHBondContact O-N 3.36Å; M1-R3 VanDerWaalsContact O-N 3.12Å; R3-V5 PolarHBondContact O-N 2.76Å
4	S	38.2	Very low	42.9	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	72%	0.721	S	S	*	*			trans	-67	109.6	159.5	49.9	0	0	0	0	108	S2	S2-S4 PolarHBondContact O-N 3.42Å
5	V	35.7	Very low	45.7	Very low	130 Å²	130	130.5 Å²	130.5	79%	0.788	69%	0.694	S	S	*	*			trans	-71.5	122.4	167.3	178.4	0	0	0	0	106.9	R3	R3-V5 PolarHBondContact O-N 2.76Å
6	P	34.5	Very low	48.5	Very low	96 Å²	96	122.9 Å²	122.9	62%	0.623	65%	0.653	S	S	*	*			trans	-68.4	132.9	176.6	-12.1	27	0	0	0	109.8	T8	P6-T8 PolarHBondContact O-N 2.66Å
7	E	34.7	Very low	51	Low	200 Å²	200	116.9 Å²	116.9	94%	0.935	62%	0.62	S	S	*	*			trans	-66.8	71.8	166.3	-69.6	178.1	157.2	0	0	109.8
8	T	35.3	Very low	53.2	Low	113 Å²	113	116.3 Å²	116.3	69%	0.693	62%	0.617	S	S	*	*			trans	-94.2	108.3	163	43.8	0	0	0	0	107.3	P6 F10	P6-T8 PolarHBondContact O-N 2.66Å; T8-F10 PolarHBondContact O-N 2.89Å
9	L	36.8	Very low	55.2	Low	173 Å²	173	112.1 Å²	112.1	91%	0.906	59%	0.593	S	S	*	*			trans	-17.3	110	167.2	-72.2	134.1	0	0	0	112.3	S11	L9-S11 PolarHBondContact O-N 3.1Å
10	F	39.3	Very low	57.1	Low	165 Å²	165	106.5 Å²	106.5	72%	0.724	56%	0.563	S	S	*	*			trans	-48.5	133.5	164.2	-69.7	-84.9	0	0	0	108.1	T8 E12 D14	T8-F10 PolarHBondContact O-N 2.89Å; F10-E12 PolarHBondContact O-N 3.04Å; F10-D14 HydrophobicContact CB-CB 4.22Å; F10-D14 HydrophobicContact CD1-CB 4.37Å
11	S	50.2	Low	58.8	Low	62 Å²	62	106.4 Å²	106.4	43%	0.434	56%	0.56	S	S	.	*			trans	-62.2	141.6	170.9	75.4	0	0	0	0	107.2	L9 T13 D14	L9-S11 PolarHBondContact O-N 3.1Å; S11-T13 PolarHBondContact O-N 3.02Å; S11-D14 WeakPolarHBondContact CB-OD2 3.45Å; S11-D14 PolarHBondContact N-OD2 2.89Å; S11-D14 VanDerWaalsContact O-CA 3.3Å; S11-D14 WeakPolarHBondContact O-CA 3.03Å; S11-D14 WeakPolarHBondContact O-CB 3.48Å; S11-D14 PolarHBondContact O-N 2.88Å; S11-D14 PolarHBondContact OG-OD1 2.93Å; S11-D14 PolarHBondContact OG-OD2 2.84Å
12	E	54.3	Low	61.5	Low	96 Å²	96	97.6 Å²	97.6	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-25.3	-174.1	-63.6	177.7	170.1	0	0	113.4	F10 D14 E15 Y16	F10-E12 PolarHBondContact O-N 3.04Å; E12-D14 PolarHBondContact O-N 3.31Å; E12-E15 PolarHBondContact O-N 2.83Å; E12-E15 VanDerWaalsContact O-N 3.11Å; E12-Y16 PolarHBondContact O-N 3.2Å
13	T	59.2	Low	64.3	Low	70 Å²	70	92.7 Å²	92.7	43%	0.429	49%	0.489	S	S	.	.	H	α-helix	trans	-56.9	-32	169.1	-36.8	0	0	0	0	111.4	S11 E17	S11-T13 PolarHBondContact O-N 3.02Å; T13-E17 WeakPolarHBondContact O-CB 3.42Å; T13-E17 PolarHBondContact O-N 2.92Å
14	D	74.9	Confident	67	Low	76 Å²	76	82.1 Å²	82.1	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-74.6	-33.8	176.4	-52.8	-39.8	0	0	0	112	F10 S11 E12 L18	F10-D14 HydrophobicContact CB-CB 4.22Å; F10-D14 HydrophobicContact CD1-CB 4.37Å; S11-D14 WeakPolarHBondContact CB-OD2 3.45Å; S11-D14 PolarHBondContact N-OD2 2.89Å; S11-D14 VanDerWaalsContact O-CA 3.3Å; S11-D14 WeakPolarHBondContact O-CA 3.03Å; S11-D14 WeakPolarHBondContact O-CB 3.48Å; S11-D14 PolarHBondContact O-N 2.88Å; S11-D14 PolarHBondContact OG-OD1 2.93Å; S11-D14 PolarHBondContact OG-OD2 2.84Å; E12-D14 PolarHBondContact O-N 3.31Å; D14-L18 WeakPolarHBondContact O-CB 3.46Å; D14-L18 PolarHBondContact O-N 3.47Å
15	E	85.3	Confident	69.5	Low	68 Å²	68	80.8 Å²	80.8	32%	0.318	44%	0.441	S	S	.	.	H	α-helix	trans	-69.4	-51.1	179.6	-172.9	177.3	171.9	0	0	111.6	E12 E17 L18 Q19 P390	E12-E15 PolarHBondContact O-N 2.83Å; E12-E15 VanDerWaalsContact O-N 3.11Å; E15-E17 VanDerWaalsContact C-N 3.29Å; E15-E17 PolarHBondContact O-N 3.31Å; E15-L18 PolarHBondContact O-N 2.75Å; E15-Q19 WeakPolarHBondContact O-CG 3.45Å; E15-Q19 PolarHBondContact O-N 2.69Å; E15-Q19 PolarHBondContact OE1-NE2 3.18Å; E15-P390 HydrophobicContact CG-CB 4.36Å; E15-P390 VanDerWaalsContact OE2-CG 3.25Å; E15-P390 WeakPolarHBondContact OE2-CG 3.48Å
16	Y	89.9	Confident	72	Confident	9 Å²	9	78.8 Å²	78.8	4%	0.035	43%	0.432	C	S	.	.	H	α-helix	trans	-62.5	-37.9	176.1	-75.2	-66.5	0	0	0	112.2	E12 A20 W308 P390 T393 F394	E12-Y16 PolarHBondContact O-N 3.2Å; Y16-A20 WeakPolarHBondContact O-CB 3.22Å; Y16-A20 PolarHBondContact O-N 2.84Å; Y16-W308 VanDerWaalsContact CB-NE1 3.35Å; Y16-W308 AromaticContact CD1-CH2 3.87Å; Y16-W308 HydrophobicContact CD1-CH2 3.87Å; Y16-W308 AromaticContact CD1-CZ2 3.55Å; Y16-W308 HydrophobicContact CD1-CZ2 3.55Å; Y16-W308 HydrophobicContact CD2-CZ2 4.03Å; Y16-W308 AromaticContact CD2-NE1 3.8Å; Y16-W308 HydrophobicContact CE1-CH2 4.4Å; Y16-W308 HydrophobicContact CE1-CZ2 4.08Å; Y16-W308 HydrophobicContact CE2-CZ2 4.5Å; Y16-W308 HydrophobicContact CG-CD2 4.46Å; Y16-W308 AromaticContact CG-CE2 3.63Å; Y16-W308 HydrophobicContact CG-CH2 4.23Å; Y16-W308 AromaticContact CG-CZ2 3.5Å; Y16-W308 HydrophobicContact CG-CZ2 3.5Å; Y16-W308 AromaticContact CG-NE1 3.7Å; Y16-P390 HydrophobicContact CE1-CB 4Å; Y16-P390 HydrophobicContact CE2-CB 4.29Å; Y16-P390 WeakPolarHBondContact OH-CA 3.27Å; Y16-T393 HydrophobicContact CE1-CG2 4.16Å; Y16-F394 HydrophobicContact CD1-CD2 4.34Å
17	E	90.9	Very high	74.6	Confident	21 Å²	21	75.7 Å²	75.7	10%	0.098	41%	0.41	C	S	.	.	H	α-helix	trans	-64.3	-42.1	175.8	-177.9	66	-154.9	0	0	110.8	T13 E15 A20 Q21 T306 V307 W308	T13-E17 WeakPolarHBondContact O-CB 3.42Å; T13-E17 PolarHBondContact O-N 2.92Å; E15-E17 VanDerWaalsContact C-N 3.29Å; E15-E17 PolarHBondContact O-N 3.31Å; E17-A20 PolarHBondContact O-N 3.02Å; E17-Q21 WeakPolarHBondContact O-CB 3.45Å; E17-Q21 VanDerWaalsContact O-CG 3.22Å; E17-Q21 WeakPolarHBondContact O-CG 3.4Å; E17-Q21 PolarHBondContact O-N 3.28Å; E17-Q21 PolarHBondContact OE1-NE2 2.84Å; E17-T306 WeakPolarHBondContact OE2-CB 3.38Å; E17-T306 PolarHBondContact OE2-OG1 3.3Å; E17-V307 PolarHBondContact OE2-N 2.78Å; E17-W308 HydrophobicContact CB-CB 4.4Å; E17-W308 WeakPolarHBondContact OE2-CB 3.32Å; E17-W308 PolarHBondContact OE2-N 3.25Å
18	L	90.9	Very high	77	Confident	106 Å²	106	70.8 Å²	70.8	56%	0.555	38%	0.383	S	S	*	.	H	α-helix	trans	-66.5	-42.2	177.4	-171.1	137.5	0	0	0	112.1	D14 E15 Q21 A22	D14-L18 WeakPolarHBondContact O-CB 3.46Å; D14-L18 PolarHBondContact O-N 3.47Å; E15-L18 PolarHBondContact O-N 2.75Å; L18-Q21 PolarHBondContact O-N 2.98Å; L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 3.29Å
19	Q	92.1	Very high	79.1	Confident	36 Å²	36	68.4 Å²	68.4	17%	0.168	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-41.2	173.9	-70.4	177.9	-13.1	0	0	111.8	E15 A22 L23 F394	E15-Q19 WeakPolarHBondContact O-CG 3.45Å; E15-Q19 PolarHBondContact O-N 2.69Å; E15-Q19 PolarHBondContact OE1-NE2 3.18Å; Q19-A22 PolarHBondContact O-N 3.45Å; Q19-L23 WeakPolarHBondContact O-CB 3.5Å; Q19-L23 PolarHBondContact O-N 3.29Å; Q19-F394 VanDerWaalsContact C-CZ 3.46Å; Q19-F394 HydrophobicContact CB-CD1 4.24Å; Q19-F394 HydrophobicContact CB-CD2 3.71Å; Q19-F394 HydrophobicContact CB-CE1 4.09Å; Q19-F394 HydrophobicContact CB-CE2 3.54Å; Q19-F394 HydrophobicContact CB-CG 4.06Å; Q19-F394 HydrophobicContact CB-CZ 3.75Å; Q19-F394 WeakPolarHBondContact O-CZ 3.5Å; Q19-F394 VanDerWaalsContact OE1-CD2 3.23Å
20	A	93	Very high	81.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-41.8	175.2	0	0	0	0	0	111.5	Y16 E17 L23 L24 L266 F394	Y16-A20 WeakPolarHBondContact O-CB 3.22Å; Y16-A20 PolarHBondContact O-N 2.84Å; E17-A20 PolarHBondContact O-N 3.02Å; A20-L23 PolarHBondContact O-N 3.02Å; A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 WeakPolarHBondContact O-CG 3.28Å; A20-L24 PolarHBondContact O-N 3.46Å; A20-L266 HydrophobicContact CB-CD1 4.13Å; A20-L266 HydrophobicContact CB-CD2 4.31Å; A20-F394 HydrophobicContact CB-CE2 4.41Å
21	Q	92.4	Very high	83.5	Confident	106 Å²	106	59.8 Å²	59.8	50%	0.495	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-40.8	174.9	-73.6	174	11.3	0	0	112	E17 L18 L24 S25	E17-Q21 WeakPolarHBondContact O-CB 3.45Å; E17-Q21 VanDerWaalsContact O-CG 3.22Å; E17-Q21 WeakPolarHBondContact O-CG 3.4Å; E17-Q21 PolarHBondContact O-N 3.28Å; E17-Q21 PolarHBondContact OE1-NE2 2.84Å; L18-Q21 PolarHBondContact O-N 2.98Å; Q21-L24 PolarHBondContact O-N 3.3Å; Q21-S25 PolarHBondContact O-N 3.27Å; Q21-S25 PolarHBondContact O-OG 3.43Å
22	A	92.7	Very high	85.2	Confident	52 Å²	52	64.1 Å²	64.1	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-39.9	174.2	0	0	0	0	0	112.5	L18 Q19 S25 S26	L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 3.29Å; Q19-A22 PolarHBondContact O-N 3.45Å; A22-S25 PolarHBondContact O-N 3.49Å; A22-S25 PolarHBondContact O-OG 3.3Å; A22-S26 PolarHBondContact O-N 3.07Å
23	L	93.6	Very high	86.8	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-63.5	-47.4	173.8	178.7	63.9	0	0	0	110.9	Q19 A20 S25 S26 I27 L266 F394 F398	Q19-L23 WeakPolarHBondContact O-CB 3.5Å; Q19-L23 PolarHBondContact O-N 3.29Å; A20-L23 PolarHBondContact O-N 3.02Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 2.9Å; L23-S26 PolarHBondContact O-N 3.43Å; L23-S26 PolarHBondContact O-OG 2.7Å; L23-I27 HydrophobicContact CD1-CD1 3.71Å; L23-I27 HydrophobicContact CD1-CG1 4.15Å; L23-I27 HydrophobicContact CD2-CD1 4.42Å; L23-I27 HydrophobicContact CG-CD1 3.73Å; L23-I27 HydrophobicContact CG-CG1 4.47Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.28Å; L23-L266 HydrophobicContact CD2-CD2 3.99Å; L23-F394 HydrophobicContact CB-CE1 4.35Å; L23-F394 HydrophobicContact CB-CZ 3.94Å; L23-F394 HydrophobicContact CD2-CE1 4.37Å; L23-F394 HydrophobicContact CD2-CZ 3.95Å; L23-F398 HydrophobicContact CD2-CB 3.61Å; L23-F398 HydrophobicContact CD2-CD1 3.9Å; L23-F398 HydrophobicContact CD2-CD2 4.17Å; L23-F398 HydrophobicContact CD2-CG 3.64Å
24	L	93.4	Very high	88.2	Confident	12 Å²	12	60.9 Å²	60.9	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-38.5	179.1	-71.8	168.2	0	0	0	112.2	A20 Q21 R28 C262 L265 L266 V307	A20-L24 WeakPolarHBondContact O-CB 3.41Å; A20-L24 WeakPolarHBondContact O-CG 3.28Å; A20-L24 PolarHBondContact O-N 3.46Å; Q21-L24 PolarHBondContact O-N 3.3Å; L24-R28 WeakPolarHBondContact O-CB 3.42Å; L24-R28 VanDerWaalsContact O-CG 3.3Å; L24-R28 WeakPolarHBondContact O-CG 3.46Å; L24-R28 PolarHBondContact O-N 2.8Å; L24-R28 VanDerWaalsContact O-N 3.14Å; L24-C262 HydrophobicContact CD1-CB 3.86Å; L24-C262 HydrophobicContact CD2-CB 4.38Å; L24-L265 HydrophobicContact CD2-CB 3.58Å; L24-L265 HydrophobicContact CD2-CD1 3.85Å; L24-L265 HydrophobicContact CD2-CG 4.37Å; L24-L266 HydrophobicContact CD2-CD2 4.19Å; L24-L266 HydrophobicContact CD2-CG 4.31Å; L24-L266 HydrophobicContact CG-CD2 4.15Å; L24-V307 HydrophobicContact CD1-CG1 4.23Å
25	S	90.5	Very high	88.9	Confident	85 Å²	85	61.7 Å²	61.7	59%	0.594	34%	0.336	S	S	*	.	H	α-helix	trans	-68.6	-35.6	175.9	68.9	0	0	0	0	112.2	Q21 A22 L23	Q21-S25 PolarHBondContact O-N 3.27Å; Q21-S25 PolarHBondContact O-OG 3.43Å; A22-S25 PolarHBondContact O-N 3.49Å; A22-S25 PolarHBondContact O-OG 3.3Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 2.9Å
26	S	88.6	Confident	89.2	Confident	88 Å²	88	61.7 Å²	61.7	62%	0.615	34%	0.34	S	S	*	.	H	α-helix	trans	-71.2	-31.8	176.6	74.6	0	0	0	0	114	A22 L23	A22-S26 PolarHBondContact O-N 3.07Å; L23-S26 PolarHBondContact O-N 3.43Å; L23-S26 PolarHBondContact O-OG 2.7Å
27	I	87.9	Confident	89.4	Confident	30 Å²	30	61.3 Å²	61.3	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-80.5	-36.2	-178.8	-69.8	172.3	0	0	0	111.3	L23 K29 C112 I113 L265 A269	L23-I27 HydrophobicContact CD1-CD1 3.71Å; L23-I27 HydrophobicContact CD1-CG1 4.15Å; L23-I27 HydrophobicContact CD2-CD1 4.42Å; L23-I27 HydrophobicContact CG-CD1 3.73Å; L23-I27 HydrophobicContact CG-CG1 4.47Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.28Å; I27-K29 PolarHBondContact O-N 3.1Å; I27-C112 VanDerWaalsContact CG2-O 3.3Å; I27-C112 WeakPolarHBondContact CG2-O 3.42Å; I27-I113 HydrophobicContact CG2-CB 4.22Å; I27-I113 HydrophobicContact CG2-CG2 4.15Å; I27-L265 HydrophobicContact CG2-CD2 4.49Å; I27-A269 HydrophobicContact CD1-CB 4.35Å
28	R	85.2	Confident	89.5	Confident	98 Å²	98	66.8 Å²	66.8	37%	0.37	36%	0.363	S	S	.	.	S	Bend	trans	-68.6	132.9	179.3	-75.8	177.2	175	-162.2	-2.7	110	L24 E258 C262	L24-R28 WeakPolarHBondContact O-CB 3.42Å; L24-R28 VanDerWaalsContact O-CG 3.3Å; L24-R28 WeakPolarHBondContact O-CG 3.46Å; L24-R28 PolarHBondContact O-N 2.8Å; L24-R28 VanDerWaalsContact O-N 3.14Å; R28-E258 IonicContact NH1-OE1 2.68Å; R28-C262 PolarHBondContact NH2-SG 3.13Å
29	K	80.5	Confident	89.7	Confident	62 Å²	62	67.1 Å²	67.1	27%	0.27	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-69.8	143.3	171.9	-61.8	-64.3	-170.7	174.4	0	110.1	I27 T33 Q34 S115	I27-K29 PolarHBondContact O-N 3.1Å; K29-T33 HydrophobicContact CB-CG2 4.43Å; K29-T33 HydrophobicContact CD-CG2 4.26Å; K29-Q34 HydrophobicContact CB-CG 4.08Å; K29-S115 PolarHBondContact NZ-O 3.37Å
30	D	84.6	Confident	89.9	Confident	83 Å²	83	66.1 Å²	66.1	44%	0.444	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-65.3	161	172.3	65.1	90.7	0	0	0	111.6	E32 T33 Q34	D30-E32 VanDerWaalsContact C-N 3.33Å; D30-E32 PolarHBondContact O-N 3.35Å; D30-E32 WeakPolarHBondContact OD1-CB 3.48Å; D30-E32 PolarHBondContact OD1-N 3.18Å; D30-T33 PolarHBondContact O-N 3.14Å; D30-T33 PolarHBondContact OD1-N 3.16Å; D30-T33 PolarHBondContact OD1-OG1 2.92Å; D30-T33 WeakPolarHBondContact OD2-CB 3.45Å; D30-T33 PolarHBondContact OD2-OG1 3.45Å; D30-Q34 WeakPolarHBondContact O-CG 3.27Å; D30-Q34 PolarHBondContact O-N 3.3Å; D30-Q34 VanDerWaalsContact O-N 3.08Å
31	A	83.7	Confident	90	Very high	75 Å²	75	66.3 Å²	66.3	62%	0.62	36%	0.361	S	S	*	.	H	α-helix	trans	-63.8	-36.8	-174.8	0	0	0	0	0	112.9	Q34 D35	A31-Q34 WeakPolarHBondContact O-CB 3.39Å; A31-Q34 PolarHBondContact O-N 3.09Å; A31-D35 PolarHBondContact O-N 3.49Å
32	E	86.2	Confident	90.2	Very high	152 Å²	152	63.9 Å²	63.9	71%	0.71	36%	0.359	S	S	*	.	H	α-helix	trans	-65.5	-48.6	-179.8	-176.7	-178.7	176.7	0	0	110.4	D30 Q34 D35 V36	D30-E32 VanDerWaalsContact C-N 3.33Å; D30-E32 PolarHBondContact O-N 3.35Å; D30-E32 WeakPolarHBondContact OD1-CB 3.48Å; D30-E32 PolarHBondContact OD1-N 3.18Å; E32-Q34 VanDerWaalsContact C-N 3.26Å; E32-Q34 PolarHBondContact O-N 3.39Å; E32-D35 PolarHBondContact O-N 2.76Å; E32-V36 WeakPolarHBondContact O-CG2 3.41Å; E32-V36 PolarHBondContact O-N 3.44Å
33	T	87.1	Confident	90.4	Very high	33 Å²	33	63.4 Å²	63.4	20%	0.202	36%	0.355	C	S	.	.	H	α-helix	trans	-56.6	-42.3	173.5	-63.2	0	0	0	0	111	K29 D30 D35 V36 L37	K29-T33 HydrophobicContact CB-CG2 4.43Å; K29-T33 HydrophobicContact CD-CG2 4.26Å; D30-T33 PolarHBondContact O-N 3.14Å; D30-T33 PolarHBondContact OD1-N 3.16Å; D30-T33 PolarHBondContact OD1-OG1 2.92Å; D30-T33 WeakPolarHBondContact OD2-CB 3.45Å; D30-T33 PolarHBondContact OD2-OG1 3.45Å; T33-D35 PolarHBondContact O-N 2.83Å; T33-V36 PolarHBondContact O-N 2.88Å; T33-L37 HydrophobicContact CG2-CD1 3.96Å; T33-L37 HydrophobicContact CG2-CG 4.24Å; T33-L37 WeakPolarHBondContact O-CB 3.37Å; T33-L37 WeakPolarHBondContact O-CG 3.5Å; T33-L37 PolarHBondContact O-N 3.18Å
34	Q	88.5	Confident	90.6	Very high	65 Å²	65	62.4 Å²	62.4	30%	0.304	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-41.3	178.3	-72.8	-69.2	-3	0	0	113	K29 D30 A31 E32 L37 K38 Y107	K29-Q34 HydrophobicContact CB-CG 4.08Å; D30-Q34 WeakPolarHBondContact O-CG 3.27Å; D30-Q34 PolarHBondContact O-N 3.3Å; D30-Q34 VanDerWaalsContact O-N 3.08Å; A31-Q34 WeakPolarHBondContact O-CB 3.39Å; A31-Q34 PolarHBondContact O-N 3.09Å; E32-Q34 VanDerWaalsContact C-N 3.26Å; E32-Q34 PolarHBondContact O-N 3.39Å; Q34-L37 PolarHBondContact O-N 2.85Å; Q34-K38 WeakPolarHBondContact O-CB 3.24Å; Q34-K38 PolarHBondContact O-N 3.01Å; Q34-Y107 VanDerWaalsContact OE1-CE2 3.3Å; Q34-Y107 PolarHBondContact OE1-OH 3.24Å
35	D	90	Very high	90.7	Very high	94 Å²	94	64.6 Å²	64.6	50%	0.503	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-41.9	178.1	-79.6	-24.9	0	0	0	112	A31 E32 T33 K38 N39	A31-D35 PolarHBondContact O-N 3.49Å; E32-D35 PolarHBondContact O-N 2.76Å; T33-D35 PolarHBondContact O-N 2.83Å; D35-K38 PolarHBondContact O-N 2.96Å; D35-N39 PolarHBondContact O-N 2.72Å; D35-N39 PolarHBondContact O-ND2 2.95Å
36	V	92	Very high	91	Very high	67 Å²	67	63.2 Å²	63.2	41%	0.406	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-43.8	175.2	-177.6	0	0	0	0	110.7	E32 T33 K38 N39 Y40 L186	E32-V36 WeakPolarHBondContact O-CG2 3.41Å; E32-V36 PolarHBondContact O-N 3.44Å; T33-V36 PolarHBondContact O-N 2.88Å; V36-K38 PolarHBondContact O-N 2.8Å; V36-N39 PolarHBondContact O-N 2.9Å; V36-Y40 WeakPolarHBondContact O-CB 3.23Å; V36-Y40 PolarHBondContact O-N 3.28Å; V36-L186 HydrophobicContact CG1-CD1 4.48Å; V36-L186 HydrophobicContact CG1-CD2 3.78Å; V36-L186 HydrophobicContact CG1-CG 4.49Å
37	L	93	Very high	91.4	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-42.2	176.8	-71	179.2	0	0	0	111.9	T33 Q34 N39 Y40 V41 Y107 A117 I119 L186 C189 C190	T33-L37 HydrophobicContact CG2-CD1 3.96Å; T33-L37 HydrophobicContact CG2-CG 4.24Å; T33-L37 WeakPolarHBondContact O-CB 3.37Å; T33-L37 WeakPolarHBondContact O-CG 3.5Å; T33-L37 PolarHBondContact O-N 3.18Å; Q34-L37 PolarHBondContact O-N 2.85Å; L37-N39 PolarHBondContact O-N 3.46Å; L37-Y40 PolarHBondContact O-N 3.24Å; L37-V41 WeakPolarHBondContact O-CB 3.46Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 3.01Å; L37-Y107 HydrophobicContact CD1-CE2 4.36Å; L37-A117 HydrophobicContact CD1-CB 4.35Å; L37-I119 HydrophobicContact CB-CD1 4.48Å; L37-I119 HydrophobicContact CD2-CD1 4.4Å; L37-L186 HydrophobicContact CD2-CD2 4.23Å; L37-C189 HydrophobicContact CD2-CB 4.42Å; L37-C190 HydrophobicContact CD2-CB 3.47Å; L37-C190 VanDerWaalsContact CD2-CB 3.47Å; L37-C190 WeakPolarHBondContact CD2-SG 3.46Å
38	K	93.3	Very high	91.8	Very high	137 Å²	137	58.8 Å²	58.8	60%	0.596	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-44.7	176.8	-176.2	-179.2	177.5	-175.7	0	111.5	Q34 D35 V36 V41 A42	Q34-K38 WeakPolarHBondContact O-CB 3.24Å; Q34-K38 PolarHBondContact O-N 3.01Å; D35-K38 PolarHBondContact O-N 2.96Å; V36-K38 PolarHBondContact O-N 2.8Å; K38-V41 PolarHBondContact O-N 2.94Å; K38-A42 WeakPolarHBondContact O-CB 3.28Å; K38-A42 PolarHBondContact O-N 3.35Å
39	N	94.5	Very high	92.2	Very high	112 Å²	112	56.9 Å²	56.9	60%	0.599	32%	0.315	S	S	*	.	H	α-helix	trans	-64.8	-45.2	177.4	-71	-26.2	0	0	0	111.9	D35 V36 L37 A42 A43	D35-N39 PolarHBondContact O-N 2.72Å; D35-N39 PolarHBondContact O-ND2 2.95Å; V36-N39 PolarHBondContact O-N 2.9Å; L37-N39 PolarHBondContact O-N 3.46Å; N39-A42 PolarHBondContact O-N 3.22Å; N39-A43 WeakPolarHBondContact O-CB 3.38Å; N39-A43 PolarHBondContact O-N 3.23Å
40	Y	96.2	Very high	92.8	Very high	16 Å²	16	58.6 Å²	58.6	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-45.9	176.5	172.4	-102.8	0	0	0	112	V36 L37 A42 A43 L44 L160 P182 L186 V192	V36-Y40 WeakPolarHBondContact O-CB 3.23Å; V36-Y40 PolarHBondContact O-N 3.28Å; L37-Y40 PolarHBondContact O-N 3.24Å; Y40-A42 VanDerWaalsContact C-N 3.31Å; Y40-A42 PolarHBondContact O-N 2.99Å; Y40-A43 PolarHBondContact O-N 2.8Å; Y40-L44 HydrophobicContact CE1-CD2 4.07Å; Y40-L44 VanDerWaalsContact O-CB 3.28Å; Y40-L44 WeakPolarHBondContact O-CB 3.41Å; Y40-L44 PolarHBondContact O-N 3.4Å; Y40-L160 HydrophobicContact CD2-CD2 4.42Å; Y40-L160 HydrophobicContact CE2-CB 4.22Å; Y40-L160 HydrophobicContact CE2-CD2 4.29Å; Y40-L160 PolarHBondContact OH-O 3.22Å; Y40-P182 HydrophobicContact CE1-CB 4.01Å; Y40-P182 HydrophobicContact CE2-CB 3.93Å; Y40-P182 WeakPolarHBondContact OH-CB 3.27Å; Y40-L186 HydrophobicContact CD1-CD1 4.33Å; Y40-L186 HydrophobicContact CD2-CD1 3.7Å; Y40-L186 HydrophobicContact CE2-CD1 4.47Å; Y40-L186 HydrophobicContact CG-CD1 3.63Å; Y40-V192 HydrophobicContact CE1-CG2 3.89Å
41	V	96.2	Very high	93.2	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-39.6	177.1	170.5	0	0	0	0	111	L37 K38 L44 K45 I103 I119 L121	L37-V41 WeakPolarHBondContact O-CB 3.46Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 3.01Å; K38-V41 PolarHBondContact O-N 2.94Å; V41-L44 PolarHBondContact O-N 2.75Å; V41-K45 HydrophobicContact CG1-CD 4.04Å; V41-K45 HydrophobicContact CG1-CG 4.39Å; V41-K45 WeakPolarHBondContact O-CB 3Å; V41-K45 VanDerWaalsContact O-CG 3.24Å; V41-K45 WeakPolarHBondContact O-CG 3.28Å; V41-K45 PolarHBondContact O-N 3.36Å; V41-I103 HydrophobicContact CG1-CD1 3.76Å; V41-I103 HydrophobicContact CG1-CG1 4.19Å; V41-I119 HydrophobicContact CG2-CD1 3.69Å; V41-I119 HydrophobicContact CG2-CG2 4.06Å; V41-L121 HydrophobicContact CG1-CD2 3.98Å
42	A	96.5	Very high	93.6	Very high	55 Å²	55	52.9 Å²	52.9	46%	0.455	29%	0.285	S	S	.	.	H	α-helix	trans	-63.2	-46.7	175.4	0	0	0	0	0	112	K38 N39 Y40 K45 S46	K38-A42 WeakPolarHBondContact O-CB 3.28Å; K38-A42 PolarHBondContact O-N 3.35Å; N39-A42 PolarHBondContact O-N 3.22Å; Y40-A42 VanDerWaalsContact C-N 3.31Å; Y40-A42 PolarHBondContact O-N 2.99Å; A42-K45 PolarHBondContact O-N 3.33Å; A42-S46 PolarHBondContact O-N 2.88Å
43	A	96.7	Very high	93.8	Very high	43 Å²	43	51.3 Å²	51.3	36%	0.355	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-43.6	176.6	0	0	0	0	0	112	N39 Y40 S46 M47 L160	N39-A43 WeakPolarHBondContact O-CB 3.38Å; N39-A43 PolarHBondContact O-N 3.23Å; Y40-A43 PolarHBondContact O-N 2.8Å; A43-S46 PolarHBondContact O-N 3.45Å; A43-M47 WeakPolarHBondContact O-CB 3.2Å; A43-M47 PolarHBondContact O-N 3.35Å; A43-L160 HydrophobicContact CB-CD1 4.09Å; A43-L160 HydrophobicContact CB-CD2 4.46Å
44	L	97	Very high	93.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.7	-44.1	177.1	-178.3	65.6	0	0	0	111.4	Y40 V41 M47 I48 L121 I180 V192	Y40-L44 HydrophobicContact CE1-CD2 4.07Å; Y40-L44 VanDerWaalsContact O-CB 3.28Å; Y40-L44 WeakPolarHBondContact O-CB 3.41Å; Y40-L44 PolarHBondContact O-N 3.4Å; V41-L44 PolarHBondContact O-N 2.75Å; L44-M47 HydrophobicContact CD1-CE 3.66Å; L44-M47 PolarHBondContact O-N 3.2Å; L44-I48 HydrophobicContact CD1-CD1 4.1Å; L44-I48 HydrophobicContact CD1-CG1 4.46Å; L44-I48 HydrophobicContact CG-CD1 3.93Å; L44-I48 VanDerWaalsContact O-CG1 3.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.49Å; L44-I48 PolarHBondContact O-N 2.9Å; L44-L121 HydrophobicContact CD2-CD1 4.1Å; L44-I180 HydrophobicContact CD1-CD1 4.26Å; L44-I180 HydrophobicContact CD2-CD1 4.09Å; L44-V192 HydrophobicContact CD2-CB 4.03Å; L44-V192 HydrophobicContact CD2-CG1 3.81Å; L44-V192 HydrophobicContact CD2-CG2 3.89Å
45	K	97.3	Very high	93.5	Very high	58 Å²	58	55.8 Å²	55.8	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-59.7	-47.7	174.3	-77.8	176.4	54.8	166.1	0	111.7	V41 A42 M47 I48 L49 I101 I103 L121	V41-K45 HydrophobicContact CG1-CD 4.04Å; V41-K45 HydrophobicContact CG1-CG 4.39Å; V41-K45 WeakPolarHBondContact O-CB 3Å; V41-K45 VanDerWaalsContact O-CG 3.24Å; V41-K45 WeakPolarHBondContact O-CG 3.28Å; V41-K45 PolarHBondContact O-N 3.36Å; A42-K45 PolarHBondContact O-N 3.33Å; K45-M47 VanDerWaalsContact C-N 3.34Å; K45-M47 PolarHBondContact O-N 3.41Å; K45-I48 PolarHBondContact O-N 3.12Å; K45-L49 WeakPolarHBondContact O-CB 3.3Å; K45-L49 WeakPolarHBondContact O-CG 3.46Å; K45-L49 PolarHBondContact O-N 3.22Å; K45-I101 HydrophobicContact CD-CB 4.5Å; K45-I101 HydrophobicContact CD-CG2 4.26Å; K45-I101 WeakPolarHBondContact CE-O 3.47Å; K45-I101 HydrophobicContact CG-CB 4.15Å; K45-I101 HydrophobicContact CG-CG2 3.85Å; K45-I101 PolarHBondContact NZ-O 3.38Å; K45-I103 HydrophobicContact CD-CG1 4.38Å; K45-L121 HydrophobicContact CD-CD2 4.47Å; K45-L121 HydrophobicContact CG-CD1 4.23Å
46	S	96.6	Very high	93.3	Very high	55 Å²	55	51.3 Å²	51.3	39%	0.385	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-47.8	178	-158.6	0	0	0	0	110.8	A42 A43 I48 L49 E50	A42-S46 PolarHBondContact O-N 2.88Å; A43-S46 PolarHBondContact O-N 3.45Å; S46-I48 PolarHBondContact O-N 3.33Å; S46-L49 PolarHBondContact O-N 3.48Å; S46-E50 WeakPolarHBondContact O-CB 3.39Å; S46-E50 VanDerWaalsContact O-CG 3.31Å; S46-E50 WeakPolarHBondContact O-CG 3.46Å; S46-E50 PolarHBondContact O-N 2.9Å; S46-E50 PolarHBondContact OG-OE1 3.01Å
47	M	95.9	Very high	92.2	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-45.3	179.2	-178.8	-81.1	-70.4	0	0	112.2	A43 L44 K45 T51 V155 L160 V161	A43-M47 WeakPolarHBondContact O-CB 3.2Å; A43-M47 PolarHBondContact O-N 3.35Å; L44-M47 HydrophobicContact CD1-CE 3.66Å; L44-M47 PolarHBondContact O-N 3.2Å; K45-M47 VanDerWaalsContact C-N 3.34Å; K45-M47 PolarHBondContact O-N 3.41Å; M47-T51 VanDerWaalsContact O-CB 3.22Å; M47-T51 WeakPolarHBondContact O-CB 3.31Å; M47-T51 PolarHBondContact O-N 3.36Å; M47-T51 PolarHBondContact O-OG1 3.05Å; M47-V155 HydrophobicContact CE-CB 3.88Å; M47-V155 HydrophobicContact CE-CG1 4.11Å; M47-V155 HydrophobicContact SD-CB 3.99Å; M47-V155 HydrophobicContact SD-CG1 3.72Å; M47-L160 HydrophobicContact CB-CD1 3.94Å; M47-L160 HydrophobicContact CG-CD1 4.35Å; M47-V161 HydrophobicContact CE-CG2 4.43Å
48	I	96.2	Very high	90.8	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-45.6	178.3	-65.7	164	0	0	0	110.4	L44 K45 S46 T51 T52 I101 L123 V151 V155 L194	L44-I48 HydrophobicContact CD1-CD1 4.1Å; L44-I48 HydrophobicContact CD1-CG1 4.46Å; L44-I48 HydrophobicContact CG-CD1 3.93Å; L44-I48 VanDerWaalsContact O-CG1 3.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.49Å; L44-I48 PolarHBondContact O-N 2.9Å; K45-I48 PolarHBondContact O-N 3.12Å; S46-I48 PolarHBondContact O-N 3.33Å; I48-T51 PolarHBondContact O-N 2.98Å; I48-T52 HydrophobicContact CG2-CG2 4.29Å; I48-T52 WeakPolarHBondContact O-CB 3.32Å; I48-T52 VanDerWaalsContact O-CG2 3.29Å; I48-T52 WeakPolarHBondContact O-CG2 3.48Å; I48-T52 PolarHBondContact O-N 3.34Å; I48-T52 PolarHBondContact O-OG1 3.1Å; I48-I101 HydrophobicContact CB-CD1 3.75Å; I48-I101 HydrophobicContact CD1-CD1 4.49Å; I48-I101 HydrophobicContact CG2-CD1 3.6Å; I48-L123 HydrophobicContact CG2-CD1 4.48Å; I48-V151 HydrophobicContact CG2-CG1 4.06Å; I48-V155 HydrophobicContact CG1-CG1 4.27Å; I48-L194 HydrophobicContact CD1-CD1 4.42Å; I48-L194 HydrophobicContact CD1-CD2 4.04Å
49	L	95	Very high	89.9	Confident	59 Å²	59	53 Å²	53	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-46.9	178.4	-73.4	174.7	0	0	0	111.6	K45 S46 T51 T52 Q53 P98 I101	K45-L49 WeakPolarHBondContact O-CB 3.3Å; K45-L49 WeakPolarHBondContact O-CG 3.46Å; K45-L49 PolarHBondContact O-N 3.22Å; S46-L49 PolarHBondContact O-N 3.48Å; L49-T51 PolarHBondContact O-N 3.41Å; L49-T52 WeakPolarHBondContact CA-OG1 3.06Å; L49-T52 PolarHBondContact O-N 3.43Å; L49-T52 PolarHBondContact O-OG1 3.03Å; L49-T52 VanDerWaalsContact O-OG1 3.07Å; L49-Q53 WeakPolarHBondContact O-CB 3.33Å; L49-Q53 PolarHBondContact O-N 3.3Å; L49-P98 HydrophobicContact CD2-CG 3.79Å; L49-I101 HydrophobicContact CD2-CD1 3.94Å; L49-I101 HydrophobicContact CD2-CG1 3.86Å; L49-I101 HydrophobicContact CG-CD1 3.75Å; L49-I101 HydrophobicContact CG-CG1 4.11Å
50	E	93.3	Very high	89.3	Confident	98 Å²	98	52.4 Å²	52.4	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-42.6	177.4	-73.3	171.3	-140	0	0	112.1	S46 K54	S46-E50 WeakPolarHBondContact O-CB 3.39Å; S46-E50 VanDerWaalsContact O-CG 3.31Å; S46-E50 WeakPolarHBondContact O-CG 3.46Å; S46-E50 PolarHBondContact O-N 2.9Å; S46-E50 PolarHBondContact OG-OE1 3.01Å; E50-K54 WeakPolarHBondContact O-CB 3.09Å; E50-K54 VanDerWaalsContact O-CG 3.26Å; E50-K54 WeakPolarHBondContact O-CG 3.4Å; E50-K54 PolarHBondContact O-N 3.42Å
51	T	92	Very high	88.5	Confident	37 Å²	37	52.6 Å²	52.6	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-44.5	179.1	-59.9	0	0	0	0	110.9	M47 I48 L49 S55 R154 V155	M47-T51 VanDerWaalsContact O-CB 3.22Å; M47-T51 WeakPolarHBondContact O-CB 3.31Å; M47-T51 PolarHBondContact O-N 3.36Å; M47-T51 PolarHBondContact O-OG1 3.05Å; I48-T51 PolarHBondContact O-N 2.98Å; L49-T51 PolarHBondContact O-N 3.41Å; T51-S55 WeakPolarHBondContact O-CB 3.48Å; T51-S55 PolarHBondContact O-N 2.89Å; T51-S55 VanDerWaalsContact O-N 3.12Å; T51-S55 PolarHBondContact O-OG 3.01Å; T51-R154 HydrophobicContact CG2-CB 3.66Å; T51-V155 HydrophobicContact CG2-CG1 4.23Å
52	T	92.4	Very high	87.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-72.5	-39	179.3	52.2	0	0	0	0	112.2	I48 L49 K54 S55 F56 P98 V151	I48-T52 HydrophobicContact CG2-CG2 4.29Å; I48-T52 WeakPolarHBondContact O-CB 3.32Å; I48-T52 VanDerWaalsContact O-CG2 3.29Å; I48-T52 WeakPolarHBondContact O-CG2 3.48Å; I48-T52 PolarHBondContact O-N 3.34Å; I48-T52 PolarHBondContact O-OG1 3.1Å; L49-T52 WeakPolarHBondContact CA-OG1 3.06Å; L49-T52 PolarHBondContact O-N 3.43Å; L49-T52 PolarHBondContact O-OG1 3.03Å; L49-T52 VanDerWaalsContact O-OG1 3.07Å; T52-K54 VanDerWaalsContact C-N 3.35Å; T52-K54 PolarHBondContact O-N 3.36Å; T52-S55 PolarHBondContact O-N 2.87Å; T52-F56 HydrophobicContact CG2-CD2 4.11Å; T52-F56 HydrophobicContact CG2-CE1 4.39Å; T52-F56 HydrophobicContact CG2-CE2 3.63Å; T52-F56 HydrophobicContact CG2-CZ 3.8Å; T52-F56 VanDerWaalsContact O-CB 3.24Å; T52-F56 WeakPolarHBondContact O-CB 3.38Å; T52-F56 WeakPolarHBondContact O-CG 3.44Å; T52-F56 PolarHBondContact O-N 3.18Å; T52-P98 VanDerWaalsContact OG1-CD 3.29Å; T52-P98 WeakPolarHBondContact OG1-CD 3.4Å; T52-P98 WeakPolarHBondContact OG1-CG 3.42Å; T52-V151 HydrophobicContact CG2-CG2 3.74Å
53	Q	90.6	Very high	87.1	Confident	118 Å²	118	59.3 Å²	59.3	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-61.1	-42.5	175.1	-169.2	69.5	12.8	0	0	111.9	L49	L49-Q53 WeakPolarHBondContact O-CB 3.33Å; L49-Q53 PolarHBondContact O-N 3.3Å
54	K	86.5	Confident	86.3	Confident	169 Å²	169	57.9 Å²	57.9	74%	0.735	31%	0.307	S	S	*	.	H	α-helix	trans	-69.9	-35.7	178.4	-73.9	171.6	-178.1	168.4	0	113	E50 T52	E50-K54 WeakPolarHBondContact O-CB 3.09Å; E50-K54 VanDerWaalsContact O-CG 3.26Å; E50-K54 WeakPolarHBondContact O-CG 3.4Å; E50-K54 PolarHBondContact O-N 3.42Å; T52-K54 VanDerWaalsContact C-N 3.35Å; T52-K54 PolarHBondContact O-N 3.36Å
55	S	82.6	Confident	85.8	Confident	23 Å²	23	61.2 Å²	61.2	16%	0.161	33%	0.331	C	S	.	.	H	α-helix	trans	-97.2	-36.7	-171.1	58.2	0	0	0	0	114.4	T51 T52 E59 R154	T51-S55 WeakPolarHBondContact O-CB 3.48Å; T51-S55 PolarHBondContact O-N 2.89Å; T51-S55 VanDerWaalsContact O-N 3.12Å; T51-S55 PolarHBondContact O-OG 3.01Å; T52-S55 PolarHBondContact O-N 2.87Å; S55-E59 VanDerWaalsContact O-CG 3.28Å; S55-E59 WeakPolarHBondContact O-CG 3.41Å; S55-R154 VanDerWaalsContact CB-NE 3.33Å; S55-R154 VanDerWaalsContact OG-CD 3.25Å; S55-R154 WeakPolarHBondContact OG-CD 3.34Å; S55-R154 PolarHBondContact OG-NE 3.16Å
56	F	85.2	Confident	85.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-85	-20.1	-171.6	-65.6	-0.1	0	0	0	113	T52 T58 E59 L95 L96 P97 V147 A150 V151	T52-F56 HydrophobicContact CG2-CD2 4.11Å; T52-F56 HydrophobicContact CG2-CE1 4.39Å; T52-F56 HydrophobicContact CG2-CE2 3.63Å; T52-F56 HydrophobicContact CG2-CZ 3.8Å; T52-F56 VanDerWaalsContact O-CB 3.24Å; T52-F56 WeakPolarHBondContact O-CB 3.38Å; T52-F56 WeakPolarHBondContact O-CG 3.44Å; T52-F56 PolarHBondContact O-N 3.18Å; F56-T58 PolarHBondContact O-N 2.9Å; F56-E59 PolarHBondContact O-N 3.41Å; F56-L95 HydrophobicContact CB-CD2 4.5Å; F56-L95 HydrophobicContact CB-CG 4.04Å; F56-L95 HydrophobicContact CD1-CD2 3.44Å; F56-L95 VanDerWaalsContact CD1-CD2 3.44Å; F56-L95 HydrophobicContact CD1-CG 3.86Å; F56-L95 HydrophobicContact CD2-CD1 3.89Å; F56-L95 HydrophobicContact CD2-CD2 4.1Å; F56-L95 HydrophobicContact CD2-CG 3.7Å; F56-L95 HydrophobicContact CE1-CD2 3.51Å; F56-L95 HydrophobicContact CE1-CG 4.2Å; F56-L95 HydrophobicContact CE2-CD1 3.86Å; F56-L95 HydrophobicContact CE2-CD2 4.13Å; F56-L95 HydrophobicContact CE2-CG 4.03Å; F56-L95 HydrophobicContact CG-CD1 4.32Å; F56-L95 HydrophobicContact CG-CD2 3.78Å; F56-L95 HydrophobicContact CG-CG 3.61Å; F56-L95 HydrophobicContact CZ-CD1 4.27Å; F56-L95 HydrophobicContact CZ-CD2 3.85Å; F56-L95 HydrophobicContact CZ-CG 4.27Å; F56-L96 WeakPolarHBondContact CD2-O 3.42Å; F56-P97 HydrophobicContact CB-CG 4.17Å; F56-V147 HydrophobicContact CE2-CG1 4.12Å; F56-A150 HydrophobicContact CE1-CB 4.17Å; F56-A150 HydrophobicContact CZ-CB 3.99Å; F56-V151 HydrophobicContact CE2-CG2 4.1Å; F56-V151 HydrophobicContact CZ-CG2 3.77Å
57	A	69.8	Low	84.4	Confident	58 Å²	58	60.7 Å²	60.7	48%	0.479	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-12	-168.9	0	0	0	0	0	116.6	P97	A57-P97 HydrophobicContact CB-CG 4.49Å
58	T	63.3	Low	84.1	Confident	131 Å²	131	60.6 Å²	60.6	80%	0.804	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145	14.4	-178.1	49.1	0	0	0	0	114.7	F56 I60	F56-T58 PolarHBondContact O-N 2.9Å; T58-I60 PolarHBondContact O-N 3.4Å
59	E	75	Confident	83.7	Confident	52 Å²	52	66.5 Å²	66.5	24%	0.243	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111	-173.6	-67	-178.4	171.8	0	0	112.8	S55 F56 Y61 L95 R154	S55-E59 VanDerWaalsContact O-CG 3.28Å; S55-E59 WeakPolarHBondContact O-CG 3.41Å; F56-E59 PolarHBondContact O-N 3.41Å; E59-Y61 HydrophobicContact CB-CD2 4.25Å; E59-Y61 HydrophobicContact CB-CE2 3.5Å; E59-Y61 HydrophobicContact CG-CE2 4.38Å; E59-Y61 WeakPolarHBondContact OE2-CE2 3.37Å; E59-Y61 VanDerWaalsContact OE2-CZ 3.31Å; E59-Y61 PolarHBondContact OE2-OH 2.7Å; E59-L95 HydrophobicContact CB-CB 4.44Å; E59-L95 PolarHBondContact O-N 2.93Å; E59-L95 VanDerWaalsContact O-N 3.12Å; E59-R154 IonicContact OE1-CZ 3.74Å; E59-R154 IonicContact OE1-NH2 3.91Å; E59-R154 PolarHBondContact OE1-NH2 3.06Å; E59-R154 IonicContact OE2-CZ 3.85Å; E59-R154 IonicContact OE2-NH2 2.8Å; E59-R154 PolarHBondContact OE2-NH2 3.24Å
60	I	80.9	Confident	83.4	Confident	100 Å²	100	64 Å²	64	51%	0.513	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.4	168.7	-63.3	172.2	0	0	0	108.4	T58 H92	T58-I60 PolarHBondContact O-N 3.4Å; I60-H92 WeakPolarHBondContact CG2-CE1 3.49Å
61	Y	80.6	Confident	83.2	Confident	19 Å²	19	59.3 Å²	59.3	8%	0.075	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106	177.7	-66.3	-101	0	0	0	110	E59 L66 I67 F93 L95 F146 R154	E59-Y61 HydrophobicContact CB-CD2 4.25Å; E59-Y61 HydrophobicContact CB-CE2 3.5Å; E59-Y61 HydrophobicContact CG-CE2 4.38Å; E59-Y61 WeakPolarHBondContact OE2-CE2 3.37Å; E59-Y61 VanDerWaalsContact OE2-CZ 3.31Å; E59-Y61 PolarHBondContact OE2-OH 2.7Å; Y61-L66 HydrophobicContact CD1-CB 4.32Å; Y61-L66 HydrophobicContact CD1-CD1 4.09Å; Y61-L66 HydrophobicContact CE1-CB 3.87Å; Y61-L66 HydrophobicContact CE1-CD1 3.54Å; Y61-L66 HydrophobicContact CE1-CG 4.33Å; Y61-I67 HydrophobicContact CD1-CG1 4.44Å; Y61-F93 PolarHBondContact N-O 3.03Å; Y61-F93 PolarHBondContact O-N 3.32Å; Y61-L95 HydrophobicContact CD2-CB 4.31Å; Y61-L95 HydrophobicContact CE2-CB 4.03Å; Y61-L95 HydrophobicContact CE2-CD2 3.84Å; Y61-F146 HydrophobicContact CD1-CZ 4.04Å; Y61-F146 AromaticContact CD2-CE1 3.9Å; Y61-F146 HydrophobicContact CD2-CE1 3.9Å; Y61-F146 AromaticContact CD2-CZ 3.61Å; Y61-F146 HydrophobicContact CD2-CZ 3.61Å; Y61-F146 HydrophobicContact CE1-CE2 4.36Å; Y61-F146 AromaticContact CE1-CZ 3.91Å; Y61-F146 HydrophobicContact CE1-CZ 3.91Å; Y61-F146 HydrophobicContact CE2-CE1 4.12Å; Y61-F146 AromaticContact CE2-CZ 3.49Å; Y61-F146 HydrophobicContact CE2-CZ 3.49Å; Y61-F146 VanDerWaalsContact CE2-CZ 3.49Å; Y61-F146 HydrophobicContact CG-CE1 4.29Å; Y61-F146 AromaticContact CG-CZ 3.89Å; Y61-F146 HydrophobicContact CG-CZ 3.89Å; Y61-F146 AromaticContact CZ-CZ 3.66Å; Y61-R154 PolarHBondContact OH-NH2 2.94Å
62	D	81.8	Confident	83.1	Confident	110 Å²	110	62 Å²	62	59%	0.588	33%	0.331	S	S	*	.	S	Bend	trans	-92.3	-4.7	174.9	-64.9	-42.5	0	0	0	113.2	F91 H92	D62-F91 CarbonylContact C-O 3.55Å; D62-F91 VanDerWaalsContact C-O 3.24Å; D62-F91 WeakPolarHBondContact CA-O 3.45Å; D62-F91 VanDerWaalsContact O-O 3.08Å; D62-H92 IonicContact OD1-CE1 3.3Å; D62-H92 IonicContact OD1-CG 3.21Å; D62-H92 IonicContact OD1-ND1 2.71Å; D62-H92 PolarHBondContact OD1-ND1 2.83Å
63	N	81.2	Confident	83	Confident	90 Å²	90	67.8 Å²	67.8	48%	0.481	35%	0.353	S	S	.	.	S	Bend	trans	-146.6	164.3	173.8	71.6	59.4	0	0	0	111.5	S65	N63-S65 VanDerWaalsContact OD1-CB 3.27Å; N63-S65 WeakPolarHBondContact OD1-CB 3.42Å; N63-S65 PolarHBondContact OD1-N 2.79Å; N63-S65 PolarHBondContact OD1-OG 2.94Å
64	L	80.3	Confident	83	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.063	33%	0.334	C	S	.	.	S	Bend	trans	-89.3	2.4	-175.6	-85.9	154.7	0	0	0	114.6	L66 I67 V68 V80 Q84 F91	L64-L66 PolarHBondContact O-N 2.86Å; L64-I67 HydrophobicContact CD2-CB 3.86Å; L64-I67 HydrophobicContact CD2-CD1 3.71Å; L64-I67 HydrophobicContact CD2-CG1 4.21Å; L64-I67 HydrophobicContact CD2-CG2 4.03Å; L64-I67 WeakPolarHBondContact O-CB 3.37Å; L64-I67 PolarHBondContact O-N 2.82Å; L64-I67 VanDerWaalsContact O-N 3.1Å; L64-V68 HydrophobicContact CB-CG2 4.17Å; L64-V68 WeakPolarHBondContact O-CB 3.49Å; L64-V68 VanDerWaalsContact O-CG2 3.32Å; L64-V68 WeakPolarHBondContact O-CG2 3.22Å; L64-V68 PolarHBondContact O-N 3.33Å; L64-V80 HydrophobicContact CD2-CG1 3.74Å; L64-Q84 HydrophobicContact CD1-CB 3.74Å; L64-Q84 HydrophobicContact CD1-CG 3.29Å; L64-Q84 VanDerWaalsContact CD1-NE2 3.32Å; L64-F91 HydrophobicContact CD1-CD2 3.53Å; L64-F91 HydrophobicContact CD1-CE2 3.63Å; L64-F91 HydrophobicContact CD1-CG 4.08Å; L64-F91 HydrophobicContact CD1-CZ 4.26Å; L64-F91 HydrophobicContact CD2-CD2 4.17Å; L64-F91 HydrophobicContact CD2-CE1 4.15Å; L64-F91 HydrophobicContact CD2-CE2 3.43Å; L64-F91 VanDerWaalsContact CD2-CE2 3.43Å; L64-F91 HydrophobicContact CD2-CZ 3.43Å; L64-F91 VanDerWaalsContact CD2-CZ 3.43Å; L64-F91 HydrophobicContact CG-CD1 4.05Å; L64-F91 HydrophobicContact CG-CD2 3.66Å; L64-F91 HydrophobicContact CG-CE1 3.83Å; L64-F91 HydrophobicContact CG-CE2 3.43Å; L64-F91 VanDerWaalsContact CG-CE2 3.43Å; L64-F91 HydrophobicContact CG-CG 3.98Å; L64-F91 HydrophobicContact CG-CZ 3.54Å
65	S	84.7	Confident	83	Confident	71 Å²	71	62.8 Å²	62.8	50%	0.497	33%	0.329	S	S	.	.	H	α-helix	trans	-58.2	-45.5	-170.4	64.4	0	0	0	0	113.2	N63 I67 K69	N63-S65 VanDerWaalsContact OD1-CB 3.27Å; N63-S65 WeakPolarHBondContact OD1-CB 3.42Å; N63-S65 PolarHBondContact OD1-N 2.79Å; N63-S65 PolarHBondContact OD1-OG 2.94Å; S65-I67 VanDerWaalsContact C-N 3.34Å; S65-K69 WeakPolarHBondContact O-CB 3.37Å; S65-K69 PolarHBondContact O-N 2.92Å
66	L	82.7	Confident	83.4	Confident	100 Å²	100	62 Å²	62	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-67	-37.2	177.9	-68.3	176.1	0	0	0	112.1	Y61 L64 K69 A70	Y61-L66 HydrophobicContact CD1-CB 4.32Å; Y61-L66 HydrophobicContact CD1-CD1 4.09Å; Y61-L66 HydrophobicContact CE1-CB 3.87Å; Y61-L66 HydrophobicContact CE1-CD1 3.54Å; Y61-L66 HydrophobicContact CE1-CG 4.33Å; L64-L66 PolarHBondContact O-N 2.86Å; L66-K69 WeakPolarHBondContact O-CB 3.36Å; L66-K69 PolarHBondContact O-N 2.95Å; L66-A70 PolarHBondContact O-N 3.34Å
67	I	83.4	Confident	83.6	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-69.9	-47	-179.2	-51.5	-174.5	0	0	0	110	Y61 L64 S65 K69 A70 A71 V80 F91 F146 L149	Y61-I67 HydrophobicContact CD1-CG1 4.44Å; L64-I67 HydrophobicContact CD2-CB 3.86Å; L64-I67 HydrophobicContact CD2-CD1 3.71Å; L64-I67 HydrophobicContact CD2-CG1 4.21Å; L64-I67 HydrophobicContact CD2-CG2 4.03Å; L64-I67 WeakPolarHBondContact O-CB 3.37Å; L64-I67 PolarHBondContact O-N 2.82Å; L64-I67 VanDerWaalsContact O-N 3.1Å; S65-I67 VanDerWaalsContact C-N 3.34Å; I67-K69 VanDerWaalsContact C-N 3.26Å; I67-K69 PolarHBondContact O-N 3.48Å; I67-A70 PolarHBondContact O-N 2.96Å; I67-A71 VanDerWaalsContact O-CB 3.24Å; I67-A71 WeakPolarHBondContact O-CB 3.29Å; I67-A71 PolarHBondContact O-N 2.76Å; I67-V80 HydrophobicContact CG2-CG1 3.88Å; I67-V80 HydrophobicContact CG2-CG2 4.43Å; I67-F91 HydrophobicContact CD1-CE1 3.79Å; I67-F91 HydrophobicContact CD1-CZ 3.44Å; I67-F91 VanDerWaalsContact CD1-CZ 3.44Å; I67-F146 HydrophobicContact CB-CD2 4.05Å; I67-F146 HydrophobicContact CB-CE2 4.3Å; I67-F146 HydrophobicContact CD1-CB 4.33Å; I67-F146 HydrophobicContact CD1-CD1 3.89Å; I67-F146 HydrophobicContact CD1-CD2 3.22Å; I67-F146 HydrophobicContact CD1-CE1 3.95Å; I67-F146 HydrophobicContact CD1-CE2 3.35Å; I67-F146 HydrophobicContact CD1-CG 3.52Å; I67-F146 HydrophobicContact CD1-CZ 3.69Å; I67-F146 HydrophobicContact CG1-CD2 3.39Å; I67-F146 HydrophobicContact CG1-CE2 3.29Å; I67-F146 HydrophobicContact CG1-CG 4.21Å; I67-F146 HydrophobicContact CG1-CZ 3.99Å; I67-F146 HydrophobicContact CG2-CB 4.45Å; I67-F146 HydrophobicContact CG2-CD2 3.65Å; I67-F146 HydrophobicContact CG2-CE2 4.37Å; I67-F146 HydrophobicContact CG2-CG 4.36Å; I67-L149 HydrophobicContact CG2-CD1 4.41Å
68	V	88	Confident	84.4	Confident	23 Å²	23	62.8 Å²	62.8	14%	0.139	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-40.3	174.7	167.3	0	0	0	0	110.1	L64 A71 N72 Q77 V80 L81	L64-V68 HydrophobicContact CB-CG2 4.17Å; L64-V68 WeakPolarHBondContact O-CB 3.49Å; L64-V68 VanDerWaalsContact O-CG2 3.32Å; L64-V68 WeakPolarHBondContact O-CG2 3.22Å; L64-V68 PolarHBondContact O-N 3.33Å; V68-A71 PolarHBondContact O-N 3.49Å; V68-N72 VanDerWaalsContact O-CB 3.24Å; V68-N72 WeakPolarHBondContact O-CB 3.38Å; V68-N72 PolarHBondContact O-N 3.23Å; V68-Q77 HydrophobicContact CG1-CG 3.8Å; V68-V80 HydrophobicContact CG2-CG1 4.38Å; V68-L81 HydrophobicContact CG2-CD2 3.73Å; V68-L81 HydrophobicContact CG2-CG 4.17Å
69	K	89	Confident	85.6	Confident	123 Å²	123	56.6 Å²	56.6	54%	0.535	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-44.8	174.9	-174.6	178.5	-179.3	178.5	0	112.1	S65 L66 I67 R73	S65-K69 WeakPolarHBondContact O-CB 3.37Å; S65-K69 PolarHBondContact O-N 2.92Å; L66-K69 WeakPolarHBondContact O-CB 3.36Å; L66-K69 PolarHBondContact O-N 2.95Å; I67-K69 VanDerWaalsContact C-N 3.26Å; I67-K69 PolarHBondContact O-N 3.48Å; K69-R73 PolarHBondContact O-N 2.74Å
70	A	88	Confident	86.3	Confident	7 Å²	7	54.1 Å²	54.1	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-46.8	174.9	0	0	0	0	0	111.2	L66 I67 N72 R73 F74 D153	L66-A70 PolarHBondContact O-N 3.34Å; I67-A70 PolarHBondContact O-N 2.96Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 3.17Å; A70-R73 WeakPolarHBondContact O-CB 3.48Å; A70-R73 PolarHBondContact O-N 3.27Å; A70-R73 VanDerWaalsContact O-N 3.12Å; A70-F74 VanDerWaalsContact O-CD2 3.29Å; A70-F74 WeakPolarHBondContact O-CD2 3.04Å; A70-D153 HydrophobicContact CB-CB 4.41Å
71	A	89.9	Confident	86.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-41	177.3	0	0	0	0	0	112.2	I67 V68 R73 F74 K75 L76 V80 L149	I67-A71 VanDerWaalsContact O-CB 3.24Å; I67-A71 WeakPolarHBondContact O-CB 3.29Å; I67-A71 PolarHBondContact O-N 2.76Å; V68-A71 PolarHBondContact O-N 3.49Å; A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 2.95Å; A71-F74 CarbonylContact O-C 3.53Å; A71-F74 WeakPolarHBondContact O-CA 3.44Å; A71-F74 PolarHBondContact O-N 2.86Å; A71-K75 PolarHBondContact O-N 3.47Å; A71-L76 HydrophobicContact CB-CB 4.18Å; A71-L76 PolarHBondContact O-N 2.95Å; A71-V80 HydrophobicContact CB-CB 4.38Å; A71-V80 HydrophobicContact CB-CG2 3.69Å; A71-L149 HydrophobicContact CB-CD1 3.91Å; A71-L149 HydrophobicContact CB-CD2 4.42Å
72	N	90.4	Very high	86.9	Confident	93 Å²	93	51 Å²	51	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-35.6	177.4	-171.7	35	0	0	0	112.1	V68 A70 F74 K75 Q77	V68-N72 VanDerWaalsContact O-CB 3.24Å; V68-N72 WeakPolarHBondContact O-CB 3.38Å; V68-N72 PolarHBondContact O-N 3.23Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 3.17Å; N72-F74 PolarHBondContact O-N 2.85Å; N72-K75 PolarHBondContact O-N 3.25Å; N72-Q77 HydrophobicContact CB-CB 4.24Å
73	R	90.2	Very high	87.2	Confident	122 Å²	122	45.8 Å²	45.8	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-26.6	174.3	-65.3	174.5	178.9	175	3.5	112.7	K69 A70 A71 D153	K69-R73 PolarHBondContact O-N 2.74Å; A70-R73 WeakPolarHBondContact O-CB 3.48Å; A70-R73 PolarHBondContact O-N 3.27Å; A70-R73 VanDerWaalsContact O-N 3.12Å; A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 2.95Å; R73-D153 VanDerWaalsContact CD-OD1 3.26Å; R73-D153 WeakPolarHBondContact CD-OD1 3.43Å; R73-D153 IonicContact CZ-OD1 3.32Å; R73-D153 IonicContact CZ-OD2 2.74Å; R73-D153 IonicContact NE-OD1 3.7Å; R73-D153 IonicContact NH1-OD1 3.62Å; R73-D153 PolarHBondContact NH1-OD1 3.28Å; R73-D153 IonicContact NH1-OD2 3.71Å; R73-D153 PolarHBondContact NH1-OD2 2.8Å
74	F	89.4	Confident	87.5	Confident	37 Å²	37	45 Å²	45	16%	0.162	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	11.9	177.1	-59.1	-77.1	0	0	0	113.2	A70 A71 N72 L76 L149 A152 I164 I166	A70-F74 VanDerWaalsContact O-CD2 3.29Å; A70-F74 WeakPolarHBondContact O-CD2 3.04Å; A71-F74 CarbonylContact O-C 3.53Å; A71-F74 WeakPolarHBondContact O-CA 3.44Å; A71-F74 PolarHBondContact O-N 2.86Å; N72-F74 PolarHBondContact O-N 2.85Å; F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 HydrophobicContact CB-CD1 4.15Å; F74-L76 HydrophobicContact CB-CG 4.44Å; F74-L76 PolarHBondContact O-N 2.67Å; F74-L149 HydrophobicContact CD2-CD2 3.97Å; F74-A152 HydrophobicContact CE2-CB 3.78Å; F74-A152 HydrophobicContact CZ-CB 3.65Å; F74-I164 HydrophobicContact CE1-CB 4.39Å; F74-I164 HydrophobicContact CE1-CG2 3.88Å; F74-I164 HydrophobicContact CZ-CG2 4.35Å; F74-I166 HydrophobicContact CB-CD1 4.05Å; F74-I166 HydrophobicContact CB-CG1 4.45Å; F74-I166 HydrophobicContact CD1-CD1 3.86Å; F74-I166 HydrophobicContact CD1-CG1 3.92Å; F74-I166 HydrophobicContact CD2-CD1 3.64Å; F74-I166 HydrophobicContact CE1-CD1 4.21Å; F74-I166 HydrophobicContact CE1-CG1 4.3Å; F74-I166 HydrophobicContact CE2-CD1 4.01Å; F74-I166 HydrophobicContact CG-CD1 3.57Å; F74-I166 HydrophobicContact CG-CG1 4.07Å; F74-I166 HydrophobicContact CZ-CD1 4.28Å
75	K	87.8	Confident	87.8	Confident	145 Å²	145	51.8 Å²	51.8	63%	0.63	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	32.3	-176.9	-53.6	177.3	-179.9	176.9	0	114.3	A71 N72	A71-K75 PolarHBondContact O-N 3.47Å; N72-K75 PolarHBondContact O-N 3.25Å
76	L	89.6	Confident	87.9	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.042	22%	0.223	C	C	.	.			trans	-113.2	14.8	-178.7	-69.4	171	0	0	0	113.2	A71 F74 A78 Y79 V80 L149 I166 L176 P476	A71-L76 HydrophobicContact CB-CB 4.18Å; A71-L76 PolarHBondContact O-N 2.95Å; F74-L76 VanDerWaalsContact C-N 3.26Å; F74-L76 HydrophobicContact CB-CD1 4.15Å; F74-L76 HydrophobicContact CB-CG 4.44Å; F74-L76 PolarHBondContact O-N 2.67Å; L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 2.89Å; L76-Y79 WeakPolarHBondContact O-CB 3.49Å; L76-Y79 PolarHBondContact O-N 3.12Å; L76-V80 PolarHBondContact O-N 3.17Å; L76-V80 VanDerWaalsContact O-N 3.13Å; L76-L149 HydrophobicContact CD1-CD2 4.29Å; L76-I166 HydrophobicContact CD1-CB 3.82Å; L76-I166 HydrophobicContact CD1-CD1 4.4Å; L76-I166 HydrophobicContact CD1-CG2 3.48Å; L76-I166 VanDerWaalsContact CD1-CG2 3.48Å; L76-L176 HydrophobicContact CD1-CD1 4.03Å; L76-L176 HydrophobicContact CD1-CD2 4.37Å; L76-P476 HydrophobicContact CD2-CG 4.23Å
77	Q	89.1	Confident	88.1	Confident	66 Å²	66	45.8 Å²	45.8	31%	0.308	21%	0.209	S	C	.	.	H	α-helix	trans	-56.3	-48.3	177.7	166.3	167.3	10.3	0	0	111.7	V68 N72 Y79 V80 L81	V68-Q77 HydrophobicContact CG1-CG 3.8Å; N72-Q77 HydrophobicContact CB-CB 4.24Å; Q77-Y79 VanDerWaalsContact C-N 3.3Å; Q77-Y79 PolarHBondContact O-N 3.03Å; Q77-V80 PolarHBondContact O-N 2.76Å; Q77-L81 HydrophobicContact CG-CD1 3.72Å; Q77-L81 HydrophobicContact CG-CG 4.34Å; Q77-L81 WeakPolarHBondContact O-CB 3.35Å; Q77-L81 WeakPolarHBondContact O-CG 3.49Å; Q77-L81 PolarHBondContact O-N 3Å
78	A	87	Confident	87.5	Confident	8 Å²	8	49.7 Å²	49.7	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-39.3	179.1	0	0	0	0	0	112.6	L76 G82 P476 K477	L76-A78 VanDerWaalsContact C-N 3.35Å; L76-A78 PolarHBondContact O-N 2.89Å; A78-G82 PolarHBondContact O-N 3.31Å; A78-P476 HydrophobicContact CB-CB 4.09Å; A78-P476 HydrophobicContact CB-CG 4.36Å; A78-K477 VanDerWaalsContact CB-O 3.31Å; A78-K477 WeakPolarHBondContact CB-O 3.48Å
79	Y	88.4	Confident	86.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-49.7	176.2	173.2	-98.6	0	0	0	112.3	L76 Q77 G82 L83 S145 Y168 P173 R174 L176 F482	L76-Y79 WeakPolarHBondContact O-CB 3.49Å; L76-Y79 PolarHBondContact O-N 3.12Å; Q77-Y79 VanDerWaalsContact C-N 3.3Å; Q77-Y79 PolarHBondContact O-N 3.03Å; Y79-G82 PolarHBondContact O-N 2.87Å; Y79-L83 HydrophobicContact CD1-CD1 4.36Å; Y79-L83 HydrophobicContact CE1-CD1 3.64Å; Y79-L83 HydrophobicContact CE1-CG 4.46Å; Y79-L83 HydrophobicContact CE2-CD1 4.11Å; Y79-L83 HydrophobicContact CE2-CG 4.37Å; Y79-L83 PolarHBondContact O-N 3.34Å; Y79-S145 PolarHBondContact OH-OG 3.32Å; Y79-Y168 HydrophobicContact CD2-CE1 4.27Å; Y79-Y168 HydrophobicContact CE2-CE1 4.09Å; Y79-P173 VanDerWaalsContact CE2-O 3.23Å; Y79-P173 WeakPolarHBondContact CE2-O 3.33Å; Y79-R174 PolarHBondContact OH-O 3.19Å; Y79-R174 VanDerWaalsContact OH-O 3.14Å; Y79-L176 HydrophobicContact CD1-CD1 4.07Å; Y79-L176 HydrophobicContact CD1-CD2 4.41Å; Y79-L176 HydrophobicContact CD1-CG 4.49Å; Y79-L176 HydrophobicContact CE1-CD1 3.6Å; Y79-L176 HydrophobicContact CE1-CD2 3.94Å; Y79-L176 HydrophobicContact CE1-CG 3.73Å; Y79-F482 HydrophobicContact CD2-CD1 4.44Å; Y79-F482 HydrophobicContact CE2-CD1 4.07Å; Y79-F482 HydrophobicContact CE2-CE1 4.11Å
80	V	89.4	Confident	85.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-46.9	179.8	171.9	0	0	0	0	111.3	L64 I67 V68 A71 L76 Q77 G82 L83 Q84 L142 L149	L64-V80 HydrophobicContact CD2-CG1 3.74Å; I67-V80 HydrophobicContact CG2-CG1 3.88Å; I67-V80 HydrophobicContact CG2-CG2 4.43Å; V68-V80 HydrophobicContact CG2-CG1 4.38Å; A71-V80 HydrophobicContact CB-CB 4.38Å; A71-V80 HydrophobicContact CB-CG2 3.69Å; L76-V80 PolarHBondContact O-N 3.17Å; L76-V80 VanDerWaalsContact O-N 3.13Å; Q77-V80 PolarHBondContact O-N 2.76Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.21Å; V80-L83 PolarHBondContact O-N 2.96Å; V80-Q84 WeakPolarHBondContact O-CB 3.29Å; V80-Q84 PolarHBondContact O-N 3.2Å; V80-L142 HydrophobicContact CG1-CD1 4.22Å; V80-L149 HydrophobicContact CG2-CD1 3.7Å
81	L	88.3	Confident	85	Confident	52 Å²	52	59 Å²	59	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-36.6	177.8	-69.5	176.5	0	0	0	111.5	V68 Q77 Q84 R85	V68-L81 HydrophobicContact CG2-CD2 3.73Å; V68-L81 HydrophobicContact CG2-CG 4.17Å; Q77-L81 HydrophobicContact CG-CD1 3.72Å; Q77-L81 HydrophobicContact CG-CG 4.34Å; Q77-L81 WeakPolarHBondContact O-CB 3.35Å; Q77-L81 WeakPolarHBondContact O-CG 3.49Å; Q77-L81 PolarHBondContact O-N 3Å; L81-Q84 PolarHBondContact O-N 3.29Å; L81-R85 WeakPolarHBondContact O-CG 3.47Å; L81-R85 PolarHBondContact O-N 2.81Å
82	G	86.9	Confident	84.5	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-53	174.8	0	0	0	0	0	112.8	A78 Y79 V80 Q84 R85 V481	A78-G82 PolarHBondContact O-N 3.31Å; Y79-G82 PolarHBondContact O-N 2.87Å; V80-G82 VanDerWaalsContact C-N 3.26Å; V80-G82 PolarHBondContact O-N 3.21Å; G82-Q84 VanDerWaalsContact C-N 3.29Å; G82-Q84 PolarHBondContact O-N 3.42Å; G82-R85 WeakPolarHBondContact O-CB 3.41Å; G82-R85 PolarHBondContact O-N 2.79Å; G82-V481 VanDerWaalsContact C-CG1 3.43Å
83	L	88.6	Confident	84.2	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-40.6	177.5	-73.3	-173.6	0	0	0	111.5	Y79 V80 R85 L86 V87 Y138 H141 L142 V481 F482	Y79-L83 HydrophobicContact CD1-CD1 4.36Å; Y79-L83 HydrophobicContact CE1-CD1 3.64Å; Y79-L83 HydrophobicContact CE1-CG 4.46Å; Y79-L83 HydrophobicContact CE2-CD1 4.11Å; Y79-L83 HydrophobicContact CE2-CG 4.37Å; Y79-L83 PolarHBondContact O-N 3.34Å; V80-L83 PolarHBondContact O-N 2.96Å; L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 3.44Å; L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.31Å; L83-V87 PolarHBondContact O-N 3.4Å; L83-Y138 HydrophobicContact CD2-CD1 4.25Å; L83-Y138 HydrophobicContact CD2-CG 4.13Å; L83-H141 HydrophobicContact CD1-CB 4.48Å; L83-L142 HydrophobicContact CB-CB 4.35Å; L83-L142 HydrophobicContact CB-CD1 4.04Å; L83-L142 HydrophobicContact CD1-CB 4.4Å; L83-L142 HydrophobicContact CD1-CD1 4.47Å; L83-V481 HydrophobicContact CD2-CG1 4.25Å; L83-F482 HydrophobicContact CD2-CE1 3.79Å; L83-F482 HydrophobicContact CD2-CZ 3.64Å
84	Q	86.9	Confident	84	Confident	73 Å²	73	56.9 Å²	56.9	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-55.2	-42.2	176.4	179.2	-164.7	0.9	0	0	112.1	L64 V80 L81 G82 L86 V87	L64-Q84 HydrophobicContact CD1-CB 3.74Å; L64-Q84 HydrophobicContact CD1-CG 3.29Å; L64-Q84 VanDerWaalsContact CD1-NE2 3.32Å; V80-Q84 WeakPolarHBondContact O-CB 3.29Å; V80-Q84 PolarHBondContact O-N 3.2Å; L81-Q84 PolarHBondContact O-N 3.29Å; G82-Q84 VanDerWaalsContact C-N 3.29Å; G82-Q84 PolarHBondContact O-N 3.42Å; Q84-L86 PolarHBondContact O-N 3.06Å; Q84-L86 VanDerWaalsContact O-N 3.11Å; Q84-V87 PolarHBondContact O-N 3.35Å
85	R	86	Confident	84	Confident	156 Å²	156	55.2 Å²	55.2	59%	0.589	28%	0.275	S	S	*	.	H	α-helix	trans	-58.6	-24.9	178.9	-69.3	171.3	-172	171.5	4.5	112.7	L81 G82 L83	L81-R85 WeakPolarHBondContact O-CG 3.47Å; L81-R85 PolarHBondContact O-N 2.81Å; G82-R85 WeakPolarHBondContact O-CB 3.41Å; G82-R85 PolarHBondContact O-N 2.79Å; L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 3.44Å
86	L	87.1	Confident	84.2	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-89.8	-14.4	179.3	-54.8	179	0	0	0	112.9	L83 Q84 S137 Y138 K219 F220 V481	L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.06Å; Q84-L86 VanDerWaalsContact O-N 3.11Å; L86-S137 VanDerWaalsContact O-CB 3.3Å; L86-S137 WeakPolarHBondContact O-CB 3.32Å; L86-Y138 HydrophobicContact CB-CD2 4.44Å; L86-Y138 HydrophobicContact CD1-CD2 3.58Å; L86-Y138 HydrophobicContact CD1-CE2 3.97Å; L86-Y138 HydrophobicContact CD1-CG 4.37Å; L86-K219 WeakPolarHBondContact CD2-O 3.34Å; L86-K219 VanDerWaalsContact O-CD 3.26Å; L86-K219 WeakPolarHBondContact O-CD 3.36Å; L86-K219 WeakPolarHBondContact O-CE 3.47Å; L86-K219 PolarHBondContact O-NZ 2.92Å; L86-F220 HydrophobicContact CD1-CE1 3.96Å; L86-F220 HydrophobicContact CD2-CD1 3.81Å; L86-F220 HydrophobicContact CD2-CE1 3.69Å; L86-F220 HydrophobicContact CD2-CZ 4.48Å; L86-F220 HydrophobicContact CG-CE1 4.38Å; L86-V481 HydrophobicContact CD1-CG1 3.99Å
87	V	86	Confident	84.4	Confident	38 Å²	38	51.7 Å²	51.7	23%	0.23	26%	0.264	C	S	.	.	S	Bend	trans	-90.3	133.7	178.4	-179.4	0	0	0	0	109.6	L83 Q84 A139 L142	L83-V87 PolarHBondContact O-N 3.4Å; Q84-V87 PolarHBondContact O-N 3.35Å; V87-A139 HydrophobicContact CG1-CB 4.07Å; V87-A139 HydrophobicContact CG2-CB 3.97Å; V87-L142 HydrophobicContact CB-CD2 4.36Å; V87-L142 HydrophobicContact CG2-CB 4.43Å; V87-L142 HydrophobicContact CG2-CD2 3.78Å
88	S	70.8	Confident	84.6	Confident	85 Å²	85	49.1 Å²	49.1	59%	0.594	25%	0.254	S	S	*	.			trans	-91.3	150.3	179.9	-64.5	0	0	0	0	111.5	K219	S88-K219 WeakPolarHBondContact OG-CE 3.07Å; S88-K219 PolarHBondContact OG-NZ 3.26Å
89	G	70.5	Confident	85	Confident	76 Å²	76	52.8 Å²	52.8	78%	0.784	28%	0.275	S	S	*	.	S	Bend	trans	93.1	-177.3	167.8	0	0	0	0	0	114.3	F91	G89-F91 PolarHBondContact O-N 3.41Å
90	R	69.4	Low	85.3	Confident	246 Å²	246	54 Å²	54	93%	0.928	29%	0.285	S	S	*	.			trans	-66.5	131.9	174.3	-72.2	-175.5	179.6	178.3	0.2	108.7	H92	R90-H92 PolarHBondContact O-N 3.02Å; R90-H92 VanDerWaalsContact O-N 3.07Å
91	F	72.4	Confident	85.7	Confident	27 Å²	27	54.3 Å²	54.3	12%	0.118	29%	0.286	C	S	.	.			trans	-67.6	105.2	174.2	-172.9	-91	0	0	0	108.2	D62 L64 I67 G89 F93 L142	D62-F91 CarbonylContact C-O 3.55Å; D62-F91 VanDerWaalsContact C-O 3.24Å; D62-F91 WeakPolarHBondContact CA-O 3.45Å; D62-F91 VanDerWaalsContact O-O 3.08Å; L64-F91 HydrophobicContact CD1-CD2 3.53Å; L64-F91 HydrophobicContact CD1-CE2 3.63Å; L64-F91 HydrophobicContact CD1-CG 4.08Å; L64-F91 HydrophobicContact CD1-CZ 4.26Å; L64-F91 HydrophobicContact CD2-CD2 4.17Å; L64-F91 HydrophobicContact CD2-CE1 4.15Å; L64-F91 HydrophobicContact CD2-CE2 3.43Å; L64-F91 VanDerWaalsContact CD2-CE2 3.43Å; L64-F91 HydrophobicContact CD2-CZ 3.43Å; L64-F91 VanDerWaalsContact CD2-CZ 3.43Å; L64-F91 HydrophobicContact CG-CD1 4.05Å; L64-F91 HydrophobicContact CG-CD2 3.66Å; L64-F91 HydrophobicContact CG-CE1 3.83Å; L64-F91 HydrophobicContact CG-CE2 3.43Å; L64-F91 VanDerWaalsContact CG-CE2 3.43Å; L64-F91 HydrophobicContact CG-CG 3.98Å; L64-F91 HydrophobicContact CG-CZ 3.54Å; I67-F91 HydrophobicContact CD1-CE1 3.79Å; I67-F91 HydrophobicContact CD1-CZ 3.44Å; I67-F91 VanDerWaalsContact CD1-CZ 3.44Å; G89-F91 PolarHBondContact O-N 3.41Å; F91-F93 AromaticContact CD1-CD2 3.74Å; F91-F93 HydrophobicContact CD1-CD2 3.74Å; F91-F93 HydrophobicContact CD1-CE2 4.24Å; F91-F93 AromaticContact CD2-CD2 3.63Å; F91-F93 HydrophobicContact CD2-CD2 3.63Å; F91-F93 AromaticContact CD2-CE2 3.24Å; F91-F93 HydrophobicContact CD2-CE2 3.24Å; F91-F93 HydrophobicContact CD2-CZ 4.07Å; F91-F93 HydrophobicContact CE1-CB 4.16Å; F91-F93 AromaticContact CE1-CD2 3.41Å; F91-F93 HydrophobicContact CE1-CD2 3.41Å; F91-F93 VanDerWaalsContact CE1-CD2 3.41Å; F91-F93 HydrophobicContact CE1-CE2 4.03Å; F91-F93 AromaticContact CE1-CG 3.91Å; F91-F93 HydrophobicContact CE1-CG 3.91Å; F91-F93 HydrophobicContact CE2-CD1 4.49Å; F91-F93 AromaticContact CE2-CD2 3.29Å; F91-F93 HydrophobicContact CE2-CD2 3.29Å; F91-F93 HydrophobicContact CE2-CE1 4.15Å; F91-F93 AromaticContact CE2-CE2 2.96Å; F91-F93 HydrophobicContact CE2-CE2 2.96Å; F91-F93 HydrophobicContact CE2-CG 4.1Å; F91-F93 AromaticContact CE2-CZ 3.44Å; F91-F93 HydrophobicContact CE2-CZ 3.44Å; F91-F93 VanDerWaalsContact CE2-CZ 3.44Å; F91-F93 AromaticContact CG-CD2 3.83Å; F91-F93 HydrophobicContact CG-CD2 3.83Å; F91-F93 AromaticContact CG-CE2 3.88Å; F91-F93 HydrophobicContact CG-CE2 3.88Å; F91-F93 HydrophobicContact CZ-CB 4.27Å; F91-F93 HydrophobicContact CZ-CD1 4.12Å; F91-F93 AromaticContact CZ-CD2 3.14Å; F91-F93 HydrophobicContact CZ-CD2 3.14Å; F91-F93 HydrophobicContact CZ-CE1 4.19Å; F91-F93 AromaticContact CZ-CE2 3.38Å; F91-F93 HydrophobicContact CZ-CE2 3.38Å; F91-F93 AromaticContact CZ-CG 3.6Å; F91-F93 HydrophobicContact CZ-CG 3.6Å; F91-F93 AromaticContact CZ-CZ 3.9Å; F91-F93 HydrophobicContact CZ-CZ 3.9Å; F91-L142 HydrophobicContact CE2-CD2 4.07Å
92	H	80.4	Confident	86.2	Confident	88 Å²	88	53.5 Å²	53.5	41%	0.407	28%	0.281	S	S	.	.			trans	-132.4	111.3	175.2	-176.9	72.9	0	0	0	109.1	I60 D62 R90	I60-H92 WeakPolarHBondContact CG2-CE1 3.49Å; D62-H92 IonicContact OD1-CE1 3.3Å; D62-H92 IonicContact OD1-CG 3.21Å; D62-H92 IonicContact OD1-ND1 2.71Å; D62-H92 PolarHBondContact OD1-ND1 2.83Å; R90-H92 PolarHBondContact O-N 3.02Å; R90-H92 VanDerWaalsContact O-N 3.07Å
93	F	83.5	Confident	86.6	Confident	12 Å²	12	55.9 Å²	55.9	5%	0.053	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.4	-174.2	-80	-114.3	0	0	0	109.7	Y61 F91 L142 K143 F146	Y61-F93 PolarHBondContact N-O 3.03Å; Y61-F93 PolarHBondContact O-N 3.32Å; F91-F93 AromaticContact CD1-CD2 3.74Å; F91-F93 HydrophobicContact CD1-CD2 3.74Å; F91-F93 HydrophobicContact CD1-CE2 4.24Å; F91-F93 AromaticContact CD2-CD2 3.63Å; F91-F93 HydrophobicContact CD2-CD2 3.63Å; F91-F93 AromaticContact CD2-CE2 3.24Å; F91-F93 HydrophobicContact CD2-CE2 3.24Å; F91-F93 HydrophobicContact CD2-CZ 4.07Å; F91-F93 HydrophobicContact CE1-CB 4.16Å; F91-F93 AromaticContact CE1-CD2 3.41Å; F91-F93 HydrophobicContact CE1-CD2 3.41Å; F91-F93 VanDerWaalsContact CE1-CD2 3.41Å; F91-F93 HydrophobicContact CE1-CE2 4.03Å; F91-F93 AromaticContact CE1-CG 3.91Å; F91-F93 HydrophobicContact CE1-CG 3.91Å; F91-F93 HydrophobicContact CE2-CD1 4.49Å; F91-F93 AromaticContact CE2-CD2 3.29Å; F91-F93 HydrophobicContact CE2-CD2 3.29Å; F91-F93 HydrophobicContact CE2-CE1 4.15Å; F91-F93 AromaticContact CE2-CE2 2.96Å; F91-F93 HydrophobicContact CE2-CE2 2.96Å; F91-F93 HydrophobicContact CE2-CG 4.1Å; F91-F93 AromaticContact CE2-CZ 3.44Å; F91-F93 HydrophobicContact CE2-CZ 3.44Å; F91-F93 VanDerWaalsContact CE2-CZ 3.44Å; F91-F93 AromaticContact CG-CD2 3.83Å; F91-F93 HydrophobicContact CG-CD2 3.83Å; F91-F93 AromaticContact CG-CE2 3.88Å; F91-F93 HydrophobicContact CG-CE2 3.88Å; F91-F93 HydrophobicContact CZ-CB 4.27Å; F91-F93 HydrophobicContact CZ-CD1 4.12Å; F91-F93 AromaticContact CZ-CD2 3.14Å; F91-F93 HydrophobicContact CZ-CD2 3.14Å; F91-F93 HydrophobicContact CZ-CE1 4.19Å; F91-F93 AromaticContact CZ-CE2 3.38Å; F91-F93 HydrophobicContact CZ-CE2 3.38Å; F91-F93 AromaticContact CZ-CG 3.6Å; F91-F93 HydrophobicContact CZ-CG 3.6Å; F91-F93 AromaticContact CZ-CZ 3.9Å; F91-F93 HydrophobicContact CZ-CZ 3.9Å; F93-L142 HydrophobicContact CZ-CD2 4.05Å; F93-L142 HydrophobicContact CZ-CG 4.19Å; F93-K143 HydrophobicContact CD1-CD 3.85Å; F93-K143 HydrophobicContact CD1-CG 4.07Å; F93-K143 HydrophobicContact CE1-CB 3.96Å; F93-K143 HydrophobicContact CE1-CD 3.62Å; F93-K143 HydrophobicContact CE1-CG 3.37Å; F93-K143 HydrophobicContact CZ-CD 4.32Å; F93-K143 HydrophobicContact CZ-CG 4.03Å; F93-F146 HydrophobicContact CB-CE1 4.42Å; F93-F146 HydrophobicContact CD1-CD1 4.06Å
94	I	86.9	Confident	87	Confident	70 Å²	70	56 Å²	56	36%	0.359	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.1	170.2	-54.3	176	0	0	0	106.8	L96	I94-L96 HydrophobicContact CG2-CD2 3.75Å; I94-L96 HydrophobicContact CG2-CG 3.96Å
95	L	89.2	Confident	87.2	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.3	175.1	-173.3	57.6	0	0	0	107.9	F56 E59 Y61 M129 F146 V147 A150	F56-L95 HydrophobicContact CB-CD2 4.5Å; F56-L95 HydrophobicContact CB-CG 4.04Å; F56-L95 HydrophobicContact CD1-CD2 3.44Å; F56-L95 VanDerWaalsContact CD1-CD2 3.44Å; F56-L95 HydrophobicContact CD1-CG 3.86Å; F56-L95 HydrophobicContact CD2-CD1 3.89Å; F56-L95 HydrophobicContact CD2-CD2 4.1Å; F56-L95 HydrophobicContact CD2-CG 3.7Å; F56-L95 HydrophobicContact CE1-CD2 3.51Å; F56-L95 HydrophobicContact CE1-CG 4.2Å; F56-L95 HydrophobicContact CE2-CD1 3.86Å; F56-L95 HydrophobicContact CE2-CD2 4.13Å; F56-L95 HydrophobicContact CE2-CG 4.03Å; F56-L95 HydrophobicContact CG-CD1 4.32Å; F56-L95 HydrophobicContact CG-CD2 3.78Å; F56-L95 HydrophobicContact CG-CG 3.61Å; F56-L95 HydrophobicContact CZ-CD1 4.27Å; F56-L95 HydrophobicContact CZ-CD2 3.85Å; F56-L95 HydrophobicContact CZ-CG 4.27Å; E59-L95 HydrophobicContact CB-CB 4.44Å; E59-L95 PolarHBondContact O-N 2.93Å; E59-L95 VanDerWaalsContact O-N 3.12Å; Y61-L95 HydrophobicContact CD2-CB 4.31Å; Y61-L95 HydrophobicContact CE2-CB 4.03Å; Y61-L95 HydrophobicContact CE2-CD2 3.84Å; L95-M129 HydrophobicContact CD1-CE 3.84Å; L95-F146 HydrophobicContact CB-CE1 4.31Å; L95-F146 HydrophobicContact CD1-CE1 4.18Å; L95-F146 HydrophobicContact CD2-CE1 4.17Å; L95-F146 HydrophobicContact CD2-CZ 3.93Å; L95-F146 HydrophobicContact CG-CE1 4.47Å; L95-V147 HydrophobicContact CD1-CB 4.36Å; L95-V147 HydrophobicContact CD1-CG1 4.48Å; L95-V147 HydrophobicContact CD1-CG2 3.4Å; L95-V147 VanDerWaalsContact CD1-CG2 3.4Å; L95-A150 HydrophobicContact CD2-CB 4.16Å
96	L	92.4	Very high	87.6	Confident	54 Å²	54	47 Å²	47	28%	0.283	27%	0.268	S	S	.	.			trans	-110.2	152.7	177.3	-62.6	178.1	0	0	0	110.3	F56 I94 P126 M129	F56-L96 WeakPolarHBondContact CD2-O 3.42Å; I94-L96 HydrophobicContact CG2-CD2 3.75Å; I94-L96 HydrophobicContact CG2-CG 3.96Å; L96-P126 HydrophobicContact CB-CG 3.66Å; L96-P126 HydrophobicContact CD1-CG 4.02Å; L96-P126 HydrophobicContact CG-CG 4.48Å; L96-M129 HydrophobicContact CB-CG 3.72Å; L96-M129 HydrophobicContact CB-SD 3.84Å; L96-M129 HydrophobicContact CD1-CG 3.86Å; L96-M129 HydrophobicContact CG-CG 3.8Å
97	P	92.4	Very high	87.9	Confident	25 Å²	25	48.2 Å²	48.2	16%	0.162	27%	0.272	C	S	.	.			trans	-56.2	145.2	171.4	-23.2	33.2	0	0	0	111.9	F56 A57 P126	F56-P97 HydrophobicContact CB-CG 4.17Å; A57-P97 HydrophobicContact CB-CG 4.49Å; P97-P126 WeakPolarHBondContact O-CD 3.35Å; P97-P126 WeakPolarHBondContact O-CG 3.37Å
98	P	94.6	Very high	88.2	Confident	13 Å²	13	48.6 Å²	48.6	8%	0.084	28%	0.275	C	S	.	.			trans	-62.4	146.1	175.4	31	-39.5	0	0	0	111.5	L49 T52 L123 E124	L49-P98 HydrophobicContact CD2-CG 3.79Å; T52-P98 VanDerWaalsContact OG1-CD 3.29Å; T52-P98 WeakPolarHBondContact OG1-CD 3.4Å; T52-P98 WeakPolarHBondContact OG1-CG 3.42Å; P98-L123 HydrophobicContact CB-CD1 3.32Å; P98-L123 HydrophobicContact CB-CG 3.76Å; P98-L123 HydrophobicContact CG-CD1 3.59Å; P98-L123 HydrophobicContact CG-CG 4.42Å; P98-E124 CarbonylContact C-O 3.51Å; P98-E124 VanDerWaalsContact CA-O 3.26Å; P98-E124 WeakPolarHBondContact CA-O 3.49Å; P98-E124 WeakPolarHBondContact CB-O 3.38Å
99	V	94.6	Very high	89.2	Confident	85 Å²	85	45.4 Å²	45.4	52%	0.515	25%	0.252	S	S	.	.	S	Bend	trans	-67.4	-44.2	174.8	179.9	0	0	0	0	110.3	E124 P126	V99-E124 HydrophobicContact CB-CB 4.36Å; V99-E124 HydrophobicContact CB-CG 4.12Å; V99-E124 HydrophobicContact CG2-CG 4.49Å; V99-E124 PolarHBondContact N-O 2.83Å; V99-P126 HydrophobicContact CG2-CB 3.74Å; V99-P126 HydrophobicContact CG2-CG 4.42Å
100	A	95.7	Very high	90.2	Very high	26 Å²	26	43.8 Å²	43.8	22%	0.215	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	164.1	-177.3	0	0	0	0	0	111.4	E124	A100-E124 PolarHBondContact O-N 3.24Å
101	I	97.6	Very high	91.4	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.9	165.7	-58.1	174.3	0	0	0	108.7	K45 I48 L49 L121 A122 L123	K45-I101 HydrophobicContact CD-CB 4.5Å; K45-I101 HydrophobicContact CD-CG2 4.26Å; K45-I101 WeakPolarHBondContact CE-O 3.47Å; K45-I101 HydrophobicContact CG-CB 4.15Å; K45-I101 HydrophobicContact CG-CG2 3.85Å; K45-I101 PolarHBondContact NZ-O 3.38Å; I48-I101 HydrophobicContact CB-CD1 3.75Å; I48-I101 HydrophobicContact CD1-CD1 4.49Å; I48-I101 HydrophobicContact CG2-CD1 3.6Å; L49-I101 HydrophobicContact CD2-CD1 3.94Å; L49-I101 HydrophobicContact CD2-CG1 3.86Å; L49-I101 HydrophobicContact CG-CD1 3.75Å; L49-I101 HydrophobicContact CG-CG1 4.11Å; I101-L121 HydrophobicContact CG2-CB 3.94Å; I101-L121 HydrophobicContact CG2-CD1 4.33Å; I101-L121 HydrophobicContact CG2-CD2 4.35Å; I101-L121 HydrophobicContact CG2-CG 4.44Å; I101-A122 WeakPolarHBondContact CA-O 3.42Å; I101-L123 HydrophobicContact CD1-CD1 4.06Å; I101-L123 HydrophobicContact CG1-CD1 3.63Å
102	H	97.6	Very high	92.3	Very high	35 Å²	35	31.8 Å²	31.8	16%	0.162	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.3	-179.7	-61.8	-82	0	0	0	110.6	V104 L121 A122 E124 F197 L247 R250	H102-V104 HydrophobicContact CB-CG1 3.98Å; H102-L121 CarbonylContact O-C 3.46Å; H102-L121 WeakPolarHBondContact O-CA 3.34Å; H102-A122 HydrophobicContact CB-CB 4.41Å; H102-A122 PolarHBondContact N-O 3.01Å; H102-A122 PolarHBondContact O-N 2.98Å; H102-E124 IonicContact CD2-OE2 3.64Å; H102-E124 IonicContact CE1-OE2 3.69Å; H102-E124 IonicContact NE2-OE2 2.71Å; H102-E124 PolarHBondContact NE2-OE2 2.85Å; H102-F197 AromaticContact CD2-CZ 3.95Å; H102-L247 HydrophobicContact CB-CD2 4.03Å; H102-R250 PolarHBondContact ND1-NH1 3.2Å
103	I	96.4	Very high	92.9	Very high	51 Å²	51	28.8 Å²	28.8	26%	0.262	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.6	166.4	-55.3	176.3	0	0	0	106.5	V41 K45 Y107 P108 I119 L121	V41-I103 HydrophobicContact CG1-CD1 3.76Å; V41-I103 HydrophobicContact CG1-CG1 4.19Å; K45-I103 HydrophobicContact CD-CG1 4.38Å; I103-Y107 HydrophobicContact CG2-CD1 3.81Å; I103-P108 HydrophobicContact CG2-CB 4.22Å; I103-P108 HydrophobicContact CG2-CG 4.16Å; I103-I119 HydrophobicContact CG2-CG2 4.49Å; I103-L121 HydrophobicContact CB-CD2 4.42Å; I103-L121 HydrophobicContact CG1-CD2 3.78Å
104	V	95.9	Very high	93.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-175	-175.6	-58.8	0	0	0	0	110.5	H102 P108 D120 A122 F195 L246 L247	H102-V104 HydrophobicContact CB-CG1 3.98Å; V104-P108 WeakPolarHBondContact O-CD 3.43Å; V104-D120 HydrophobicContact CG2-CB 3.89Å; V104-D120 PolarHBondContact N-O 3.15Å; V104-A122 HydrophobicContact CG1-CB 4.01Å; V104-A122 HydrophobicContact CG2-CB 3.84Å; V104-F195 HydrophobicContact CG2-CE1 3.98Å; V104-F195 HydrophobicContact CG2-CZ 3.74Å; V104-L246 HydrophobicContact CG1-CD2 4.23Å; V104-L246 HydrophobicContact CG1-CG 4.3Å; V104-L246 HydrophobicContact CG2-CD2 4.49Å; V104-L247 HydrophobicContact CG1-CD2 4.46Å
105	G	92.6	Very high	93.2	Very high	30 Å²	30	32.1 Å²	32.1	31%	0.309	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-150.5	176.6	0	0	0	0	0	113	P108	G105-P108 WeakPolarHBondContact O-CD 3.45Å
106	S	92.9	Very high	93.3	Very high	12 Å²	12	34.2 Å²	34.2	8%	0.084	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-24.7	-172	53.4	0	0	0	0	114.7	L109 G110 L111	S106-L109 PolarHBondContact O-N 3.08Å; S106-G110 PolarHBondContact O-N 3.35Å; S106-L111 PolarHBondContact O-N 2.87Å
107	Y	93.5	Very high	93.2	Very high	30 Å²	30	31.7 Å²	31.7	12%	0.118	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-54.2	-176.1	-178.6	-104.6	0	0	0	114.1	Q34 L37 I103 L109 G110 I119	Q34-Y107 VanDerWaalsContact OE1-CE2 3.3Å; Q34-Y107 PolarHBondContact OE1-OH 3.24Å; L37-Y107 HydrophobicContact CD1-CE2 4.36Å; I103-Y107 HydrophobicContact CG2-CD1 3.81Å; Y107-L109 PolarHBondContact O-N 2.78Å; Y107-L109 VanDerWaalsContact O-N 3.14Å; Y107-G110 PolarHBondContact O-N 2.91Å; Y107-I119 HydrophobicContact CD1-CG1 4.32Å; Y107-I119 HydrophobicContact CD1-CG2 3.91Å; Y107-I119 HydrophobicContact CD2-CD1 4.21Å; Y107-I119 HydrophobicContact CD2-CG1 3.85Å; Y107-I119 HydrophobicContact CE1-CD1 4.39Å; Y107-I119 HydrophobicContact CE1-CG2 4.46Å; Y107-I119 HydrophobicContact CE2-CD1 4.08Å; Y107-I119 HydrophobicContact CE2-CG1 4.25Å; Y107-I119 HydrophobicContact CG-CB 4.43Å; Y107-I119 HydrophobicContact CG-CD1 4.44Å; Y107-I119 HydrophobicContact CG-CG1 3.91Å; Y107-I119 HydrophobicContact CG-CG2 4.14Å
108	P	92.3	Very high	93.2	Very high	46 Å²	46	31.5 Å²	31.5	30%	0.299	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.9	-178.5	27.9	-35.1	0	0	0	113.4	I103 V104 G105	I103-P108 HydrophobicContact CG2-CB 4.22Å; I103-P108 HydrophobicContact CG2-CG 4.16Å; V104-P108 WeakPolarHBondContact O-CD 3.43Å; G105-P108 WeakPolarHBondContact O-CD 3.45Å
109	L	91.9	Very high	93.3	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.099	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.9	176.6	-61.6	172.3	0	0	0	113	S106 Y107 L111 L253 L254	S106-L109 PolarHBondContact O-N 3.08Å; Y107-L109 PolarHBondContact O-N 2.78Å; Y107-L109 VanDerWaalsContact O-N 3.14Å; L109-L111 HydrophobicContact CB-CB 4.35Å; L109-L111 HydrophobicContact CB-CD1 3.64Å; L109-L111 HydrophobicContact CB-CG 3.73Å; L109-L111 HydrophobicContact CD1-CD1 3.81Å; L109-L111 HydrophobicContact CG-CD1 4.37Å; L109-L111 PolarHBondContact O-N 3.38Å; L109-L253 HydrophobicContact CD1-CB 3.89Å; L109-L253 HydrophobicContact CD1-CD1 4.05Å; L109-L253 HydrophobicContact CD2-CB 3.86Å; L109-L253 WeakPolarHBondContact CD2-O 3.37Å; L109-L254 HydrophobicContact CD2-CD2 3.83Å; L109-L254 HydrophobicContact CD2-CG 4Å
110	G	92	Very high	93.4	Very high	41 Å²	41	27.9 Å²	27.9	42%	0.423	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	25.5	-174	0	0	0	0	0	113.6	S106 Y107	S106-G110 PolarHBondContact O-N 3.35Å; Y107-G110 PolarHBondContact O-N 2.91Å
111	L	94.6	Very high	93.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	17%	0.171	C	C	.	.			trans	-98.8	6.5	-172.7	-68	176	0	0	0	114	S106 L109 I113 I261 V264 L265 R268 C285 S289	S106-L111 PolarHBondContact O-N 2.87Å; L109-L111 HydrophobicContact CB-CB 4.35Å; L109-L111 HydrophobicContact CB-CD1 3.64Å; L109-L111 HydrophobicContact CB-CG 3.73Å; L109-L111 HydrophobicContact CD1-CD1 3.81Å; L109-L111 HydrophobicContact CG-CD1 4.37Å; L109-L111 PolarHBondContact O-N 3.38Å; L111-I113 PolarHBondContact O-N 2.71Å; L111-I261 HydrophobicContact CD2-CB 4.46Å; L111-I261 HydrophobicContact CD2-CG2 3.67Å; L111-I261 HydrophobicContact CG-CG2 4.42Å; L111-V264 HydrophobicContact CD1-CG1 3.93Å; L111-V264 HydrophobicContact CD2-CB 3.74Å; L111-V264 HydrophobicContact CD2-CG1 3.58Å; L111-V264 HydrophobicContact CG-CG1 4.37Å; L111-L265 HydrophobicContact CD2-CD2 4.33Å; L111-L265 HydrophobicContact CD2-CG 4.07Å; L111-R268 PolarHBondContact O-NH1 3.48Å; L111-C285 VanDerWaalsContact CD1-SG 3.58Å; L111-S289 WeakPolarHBondContact CD1-OG 3.07Å
112	C	92.1	Very high	93.6	Very high	20 Å²	20	26.4 Å²	26.4	14%	0.135	17%	0.17	C	C	.	.			trans	-64.2	131.2	-179	-64.7	0	0	0	0	111.4	I27	I27-C112 VanDerWaalsContact CG2-O 3.3Å; I27-C112 WeakPolarHBondContact CG2-O 3.42Å
113	I	91.7	Very high	93.6	Very high	25 Å²	25	24.8 Å²	24.8	13%	0.128	16%	0.162	C	C	.	.			trans	-115.5	-11.2	177.8	62.8	164	0	0	0	114	I27 L111 L265 R268 R272	I27-I113 HydrophobicContact CG2-CB 4.22Å; I27-I113 HydrophobicContact CG2-CG2 4.15Å; L111-I113 PolarHBondContact O-N 2.71Å; I113-L265 HydrophobicContact CG2-CD2 3.76Å; I113-R268 HydrophobicContact CD1-CB 4.14Å; I113-R268 HydrophobicContact CG2-CB 4.14Å; I113-R272 HydrophobicContact CD1-CB 3.85Å; I113-R272 HydrophobicContact CD1-CG 4.22Å
114	D	90	Very high	93.6	Very high	50 Å²	50	23.5 Å²	23.5	27%	0.267	16%	0.155	S	C	.	.	S	Bend	trans	-84.9	146.6	-176.7	-70.1	-67.1	0	0	0	111.2	V116 R272 R278	D114-V116 VanDerWaalsContact C-N 3.29Å; D114-V116 WeakPolarHBondContact CB-O 3.46Å; D114-V116 PolarHBondContact O-N 3.17Å; D114-R272 IonicContact OD1-CZ 3.9Å; D114-R272 IonicContact OD1-NH1 2.86Å; D114-R272 PolarHBondContact OD1-NH1 3.08Å; D114-R272 IonicContact OD1-NH2 3.5Å; D114-R272 IonicContact OD2-CZ 2.7Å; D114-R272 IonicContact OD2-NH1 3.59Å; D114-R272 PolarHBondContact OD2-NH1 3.16Å; D114-R272 IonicContact OD2-NH2 3.5Å; D114-R272 PolarHBondContact OD2-NH2 3.4Å; D114-R278 IonicContact OD1-NH2 2.72Å
115	S	87.5	Confident	93.6	Very high	102 Å²	102	23.5 Å²	23.5	71%	0.713	16%	0.155	S	C	*	.	S	Bend	trans	-60.5	-38.9	177.2	56.8	0	0	0	0	112.1	K29	K29-S115 PolarHBondContact NZ-O 3.37Å
116	V	91	Very high	93.7	Very high	46 Å²	46	23.1 Å²	23.1	28%	0.279	15%	0.148	S	C	.	.	S	Bend	trans	-93.8	116	167	-179.5	0	0	0	0	107.7	D114 S118 C190 Q191	D114-V116 VanDerWaalsContact C-N 3.29Å; D114-V116 WeakPolarHBondContact CB-O 3.46Å; D114-V116 PolarHBondContact O-N 3.17Å; V116-S118 PolarHBondContact O-N 3.23Å; V116-C190 VanDerWaalsContact CG1-C 3.41Å; V116-Q191 HydrophobicContact CG1-CB 4.33Å; V116-Q191 HydrophobicContact CG1-CG 4.33Å
117	A	91.1	Very high	93.8	Very high	1 Å²	1	26 Å²	26	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.5	-178.5	0	0	0	0	0	110.7	L37 C189 C190 Q191	L37-A117 HydrophobicContact CD1-CB 4.35Å; A117-C189 PolarHBondContact N-O 3.05Å; A117-C190 HydrophobicContact CB-CB 4.15Å; A117-C190 CarbonylContact O-C 3.52Å; A117-C190 WeakPolarHBondContact O-CA 3.31Å; A117-C190 WeakPolarHBondContact O-CB 3.49Å; A117-Q191 PolarHBondContact O-N 3.44Å; A117-Q191 VanDerWaalsContact O-O 3.13Å
118	S	92.4	Very high	93.7	Very high	21 Å²	21	27 Å²	27	15%	0.147	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.2	174.3	-168.3	0	0	0	0	109.4	V116 N193	V116-S118 PolarHBondContact O-N 3.23Å; S118-N193 PolarHBondContact OG-ND2 3.46Å
119	I	96.2	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	117	-177.6	-54.7	179.2	0	0	0	108.9	L37 V41 I103 Y107 L121 C190 Q191 V192 N193	L37-I119 HydrophobicContact CB-CD1 4.48Å; L37-I119 HydrophobicContact CD2-CD1 4.4Å; V41-I119 HydrophobicContact CG2-CD1 3.69Å; V41-I119 HydrophobicContact CG2-CG2 4.06Å; I103-I119 HydrophobicContact CG2-CG2 4.49Å; Y107-I119 HydrophobicContact CD1-CG1 4.32Å; Y107-I119 HydrophobicContact CD1-CG2 3.91Å; Y107-I119 HydrophobicContact CD2-CD1 4.21Å; Y107-I119 HydrophobicContact CD2-CG1 3.85Å; Y107-I119 HydrophobicContact CE1-CD1 4.39Å; Y107-I119 HydrophobicContact CE1-CG2 4.46Å; Y107-I119 HydrophobicContact CE2-CD1 4.08Å; Y107-I119 HydrophobicContact CE2-CG1 4.25Å; Y107-I119 HydrophobicContact CG-CB 4.43Å; Y107-I119 HydrophobicContact CG-CD1 4.44Å; Y107-I119 HydrophobicContact CG-CG1 3.91Å; Y107-I119 HydrophobicContact CG-CG2 4.14Å; I119-L121 HydrophobicContact CG2-CD2 4.38Å; I119-C190 HydrophobicContact CD1-CB 4.18Å; I119-Q191 PolarHBondContact N-O 3.24Å; I119-V192 HydrophobicContact CB-CG2 4.33Å; I119-V192 CarbonylContact O-C 3.57Å; I119-V192 WeakPolarHBondContact O-CA 3.45Å; I119-N193 PolarHBondContact O-N 2.79Å
120	D	96.8	Very high	93.6	Very high	22 Å²	22	25.1 Å²	25.1	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.2	-179.3	-58.5	-40.8	0	0	0	110.7	V104 N193 F195	V104-D120 HydrophobicContact CG2-CB 3.89Å; V104-D120 PolarHBondContact N-O 3.15Å; D120-N193 CarbonylContact C-O 3.18Å; D120-N193 WeakPolarHBondContact CA-O 3.49Å; D120-N193 WeakPolarHBondContact OD1-CB 3.45Å; D120-N193 PolarHBondContact OD1-ND2 2.86Å; D120-F195 HydrophobicContact CB-CE1 4.22Å
121	L	98.2	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.8	173.4	-62.5	-173.6	0	0	0	109.9	V41 L44 K45 I101 H102 I103 I119 V192 N193 L194 F195	V41-L121 HydrophobicContact CG1-CD2 3.98Å; L44-L121 HydrophobicContact CD2-CD1 4.1Å; K45-L121 HydrophobicContact CD-CD2 4.47Å; K45-L121 HydrophobicContact CG-CD1 4.23Å; I101-L121 HydrophobicContact CG2-CB 3.94Å; I101-L121 HydrophobicContact CG2-CD1 4.33Å; I101-L121 HydrophobicContact CG2-CD2 4.35Å; I101-L121 HydrophobicContact CG2-CG 4.44Å; H102-L121 CarbonylContact O-C 3.46Å; H102-L121 WeakPolarHBondContact O-CA 3.34Å; I103-L121 HydrophobicContact CB-CD2 4.42Å; I103-L121 HydrophobicContact CG1-CD2 3.78Å; I119-L121 HydrophobicContact CG2-CD2 4.38Å; L121-V192 HydrophobicContact CB-CG1 4.38Å; L121-V192 HydrophobicContact CD1-CG1 3.51Å; L121-V192 HydrophobicContact CG-CG1 3.63Å; L121-N193 PolarHBondContact N-O 2.82Å; L121-L194 HydrophobicContact CB-CD1 3.7Å; L121-L194 WeakPolarHBondContact O-CA 3.32Å; L121-F195 PolarHBondContact O-N 2.9Å
122	A	97.9	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116	178.5	0	0	0	0	0	110.3	I101 H102 V104 E124 F195 F197 L246	I101-A122 WeakPolarHBondContact CA-O 3.42Å; H102-A122 HydrophobicContact CB-CB 4.41Å; H102-A122 PolarHBondContact N-O 3.01Å; H102-A122 PolarHBondContact O-N 2.98Å; V104-A122 HydrophobicContact CG1-CB 4.01Å; V104-A122 HydrophobicContact CG2-CB 3.84Å; A122-E124 PolarHBondContact O-N 2.78Å; A122-F195 WeakPolarHBondContact CA-O 3.2Å; A122-F195 HydrophobicContact CB-CD2 4.44Å; A122-F195 HydrophobicContact CB-CE1 4.35Å; A122-F195 HydrophobicContact CB-CE2 3.74Å; A122-F195 HydrophobicContact CB-CZ 3.7Å; A122-F197 HydrophobicContact CB-CD1 3.74Å; A122-F197 HydrophobicContact CB-CE1 3.56Å; A122-L246 HydrophobicContact CB-CD2 3.67Å
123	L	97.6	Very high	93	Very high	1 Å²	1	38 Å²	38	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	106.9	177.7	-171.9	73.1	0	0	0	109.4	I48 P98 I101 M125 V147 V151 L194 F195 A196 F197	I48-L123 HydrophobicContact CG2-CD1 4.48Å; P98-L123 HydrophobicContact CB-CD1 3.32Å; P98-L123 HydrophobicContact CB-CG 3.76Å; P98-L123 HydrophobicContact CG-CD1 3.59Å; P98-L123 HydrophobicContact CG-CG 4.42Å; I101-L123 HydrophobicContact CD1-CD1 4.06Å; I101-L123 HydrophobicContact CG1-CD1 3.63Å; L123-M125 PolarHBondContact O-N 3.31Å; L123-V147 HydrophobicContact CD2-CG1 3.65Å; L123-V151 HydrophobicContact CD2-CG2 4Å; L123-L194 HydrophobicContact CB-CD1 4.37Å; L123-F195 WeakPolarHBondContact CB-O 3.37Å; L123-F195 PolarHBondContact N-O 3.03Å; L123-A196 HydrophobicContact CB-CB 4.43Å; L123-A196 HydrophobicContact CD2-CB 4.43Å; L123-A196 WeakPolarHBondContact O-CA 3.48Å; L123-F197 VanDerWaalsContact O-CD1 3.3Å; L123-F197 WeakPolarHBondContact O-CD1 3.45Å; L123-F197 PolarHBondContact O-N 3.17Å
124	E	97.7	Very high	93	Very high	24 Å²	24	37.5 Å²	37.5	11%	0.112	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.4	-179.2	-175.2	179.9	171.5	0	0	110.5	P98 V99 A100 H102 A122 F197 S199	P98-E124 CarbonylContact C-O 3.51Å; P98-E124 VanDerWaalsContact CA-O 3.26Å; P98-E124 WeakPolarHBondContact CA-O 3.49Å; P98-E124 WeakPolarHBondContact CB-O 3.38Å; V99-E124 HydrophobicContact CB-CB 4.36Å; V99-E124 HydrophobicContact CB-CG 4.12Å; V99-E124 HydrophobicContact CG2-CG 4.49Å; V99-E124 PolarHBondContact N-O 2.83Å; A100-E124 PolarHBondContact O-N 3.24Å; H102-E124 IonicContact CD2-OE2 3.64Å; H102-E124 IonicContact CE1-OE2 3.69Å; H102-E124 IonicContact NE2-OE2 2.71Å; H102-E124 PolarHBondContact NE2-OE2 2.85Å; A122-E124 PolarHBondContact O-N 2.78Å; E124-F197 VanDerWaalsContact CA-CE1 3.48Å; E124-F197 HydrophobicContact CB-CE1 3.68Å; E124-F197 HydrophobicContact CB-CZ 3.65Å; E124-F197 HydrophobicContact CG-CE1 4.31Å; E124-F197 HydrophobicContact CG-CE2 4.28Å; E124-F197 HydrophobicContact CG-CZ 3.84Å; E124-S199 VanDerWaalsContact CG-OG 3.31Å; E124-S199 WeakPolarHBondContact CG-OG 3.17Å; E124-S199 WeakPolarHBondContact OE1-CB 3.28Å; E124-S199 PolarHBondContact OE1-OG 3.31Å
125	M	95.9	Very high	93	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.4	-179.8	-60.3	-123.4	-60.1	0	0	111.5	L123 M129 F130 V147 A196 F197 S199	L123-M125 PolarHBondContact O-N 3.31Å; M125-M129 HydrophobicContact CB-SD 4.14Å; M125-M129 HydrophobicContact CE-CE 3.36Å; M125-M129 HydrophobicContact CE-SD 3.86Å; M125-M129 HydrophobicContact SD-CE 3.65Å; M125-M129 HydrophobicContact SD-SD 3.78Å; M125-F130 HydrophobicContact CB-CE2 3.75Å; M125-F130 HydrophobicContact CB-CZ 4.16Å; M125-F130 HydrophobicContact CE-CE1 4.21Å; M125-F130 HydrophobicContact CE-CE2 3.81Å; M125-F130 HydrophobicContact CE-CZ 3.35Å; M125-V147 HydrophobicContact CE-CB 4.27Å; M125-V147 HydrophobicContact CE-CG2 3.5Å; M125-V147 HydrophobicContact SD-CB 3.57Å; M125-V147 VanDerWaalsContact SD-CB 3.57Å; M125-V147 HydrophobicContact SD-CG1 3.54Å; M125-V147 VanDerWaalsContact SD-CG1 3.54Å; M125-V147 HydrophobicContact SD-CG2 3.18Å; M125-V147 WeakPolarHBondContact SD-CG2 3.44Å; M125-A196 HydrophobicContact CG-CB 4.33Å; M125-A196 HydrophobicContact SD-CB 4.49Å; M125-F197 WeakPolarHBondContact CB-O 2.92Å; M125-F197 WeakPolarHBondContact CG-O 3.46Å; M125-F197 PolarHBondContact N-O 2.78Å; M125-S199 PolarHBondContact O-N 2.64Å; M125-S199 PolarHBondContact O-OG 3.47Å; M125-S199 VanDerWaalsContact O-OG 3.06Å
126	P	94.9	Very high	93.1	Very high	23 Å²	23	32.3 Å²	32.3	15%	0.149	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-63.7	149.2	-177.8	24.6	-32.9	0	0	0	112.3	L96 P97 V99 G128 M129	L96-P126 HydrophobicContact CB-CG 3.66Å; L96-P126 HydrophobicContact CD1-CG 4.02Å; L96-P126 HydrophobicContact CG-CG 4.48Å; P97-P126 WeakPolarHBondContact O-CD 3.35Å; P97-P126 WeakPolarHBondContact O-CG 3.37Å; V99-P126 HydrophobicContact CG2-CB 3.74Å; V99-P126 HydrophobicContact CG2-CG 4.42Å; P126-G128 PolarHBondContact O-N 2.84Å; P126-M129 HydrophobicContact CG-CG 3.98Å; P126-M129 HydrophobicContact CG-SD 3.94Å; P126-M129 WeakPolarHBondContact O-CB 3.27Å; P126-M129 PolarHBondContact O-N 2.72Å; P126-M129 VanDerWaalsContact O-N 3.12Å
127	T	93.9	Very high	92.9	Very high	72 Å²	72	30.2 Å²	30.2	44%	0.442	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-56.2	-35	-178.6	56.3	0	0	0	0	112.8	M129 F130	T127-M129 PolarHBondContact O-N 3.1Å; T127-M129 VanDerWaalsContact O-N 3.09Å; T127-F130 PolarHBondContact O-N 2.87Å
128	G	91.1	Very high	92.9	Very high	52 Å²	52	30.1 Å²	30.1	54%	0.536	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-64.6	-9.2	-179.7	0	0	0	0	0	115.4	P126	P126-G128 PolarHBondContact O-N 2.84Å
129	M	90.8	Very high	92.8	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.044	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-81.2	-16.4	172.8	-68.7	-177.6	64.7	0	0	113.7	L95 L96 M125 P126 T127 K143 V147	L95-M129 HydrophobicContact CD1-CE 3.84Å; L96-M129 HydrophobicContact CB-CG 3.72Å; L96-M129 HydrophobicContact CB-SD 3.84Å; L96-M129 HydrophobicContact CD1-CG 3.86Å; L96-M129 HydrophobicContact CG-CG 3.8Å; M125-M129 HydrophobicContact CB-SD 4.14Å; M125-M129 HydrophobicContact CE-CE 3.36Å; M125-M129 HydrophobicContact CE-SD 3.86Å; M125-M129 HydrophobicContact SD-CE 3.65Å; M125-M129 HydrophobicContact SD-SD 3.78Å; P126-M129 HydrophobicContact CG-CG 3.98Å; P126-M129 HydrophobicContact CG-SD 3.94Å; P126-M129 WeakPolarHBondContact O-CB 3.27Å; P126-M129 PolarHBondContact O-N 2.72Å; P126-M129 VanDerWaalsContact O-N 3.12Å; T127-M129 PolarHBondContact O-N 3.1Å; T127-M129 VanDerWaalsContact O-N 3.09Å; M129-K143 PolarHBondContact O-NZ 2.83Å; M129-V147 HydrophobicContact CE-CG2 3.78Å
130	F	92.5	Very high	92.8	Very high	16 Å²	16	29.3 Å²	29.3	7%	0.07	18%	0.179	C	C	.	.			trans	-118.3	126.5	-171.2	-59	-88.5	0	0	0	111.7	M125 T127 D134 Y140 K143 T144 A198 T202 F203	M125-F130 HydrophobicContact CB-CE2 3.75Å; M125-F130 HydrophobicContact CB-CZ 4.16Å; M125-F130 HydrophobicContact CE-CE1 4.21Å; M125-F130 HydrophobicContact CE-CE2 3.81Å; M125-F130 HydrophobicContact CE-CZ 3.35Å; T127-F130 PolarHBondContact O-N 2.87Å; F130-D134 VanDerWaalsContact CA-OD2 3.27Å; F130-D134 WeakPolarHBondContact CA-OD2 3.29Å; F130-D134 HydrophobicContact CD1-CB 4.42Å; F130-Y140 HydrophobicContact CD1-CD2 4.29Å; F130-Y140 AromaticContact CE1-CD2 3.85Å; F130-Y140 HydrophobicContact CE1-CD2 3.85Å; F130-Y140 HydrophobicContact CE1-CE2 4.14Å; F130-Y140 HydrophobicContact CZ-CE2 4.44Å; F130-K143 HydrophobicContact CD1-CB 4.39Å; F130-K143 HydrophobicContact CD1-CD 4.12Å; F130-K143 HydrophobicContact CD1-CG 4.36Å; F130-K143 HydrophobicContact CE1-CB 3.83Å; F130-K143 HydrophobicContact CE1-CD 4.37Å; F130-K143 HydrophobicContact CE1-CG 4.29Å; F130-T144 HydrophobicContact CE1-CG2 4.45Å; F130-T144 HydrophobicContact CZ-CG2 4.3Å; F130-A198 HydrophobicContact CD2-CB 3.98Å; F130-A198 HydrophobicContact CE1-CB 4.3Å; F130-A198 HydrophobicContact CE2-CB 3.45Å; F130-A198 VanDerWaalsContact CE2-CB 3.45Å; F130-A198 HydrophobicContact CZ-CB 3.62Å; F130-T202 HydrophobicContact CB-CG2 3.47Å; F130-T202 VanDerWaalsContact CB-CG2 3.47Å; F130-T202 HydrophobicContact CD2-CG2 3.66Å; F130-T202 HydrophobicContact CG-CG2 3.74Å; F130-F203 HydrophobicContact CB-CE1 4.38Å; F130-F203 HydrophobicContact CB-CZ 3.83Å; F130-F203 HydrophobicContact CD1-CZ 4.38Å; F130-F203 HydrophobicContact CG-CZ 4.37Å
131	D	90.1	Very high	92.6	Very high	102 Å²	102	28.3 Å²	28.3	55%	0.545	17%	0.173	S	C	.	.			trans	-90.5	162	173.7	-66.4	-51.2	0	0	0	111.1	G133 D134 F203	D131-G133 PolarHBondContact O-N 3.43Å; D131-D134 PolarHBondContact N-OD2 3.47Å; D131-D134 WeakPolarHBondContact O-CB 3.36Å; D131-D134 PolarHBondContact O-N 3.24Å; D131-F203 WeakPolarHBondContact O-CE1 3.49Å
132	K	86.8	Confident	92.3	Very high	179 Å²	179	28.3 Å²	28.3	78%	0.778	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-56	-28.3	177.5	-67.6	-176	-178.9	175.6	0	113.6	R207	K132-R207 PolarHBondContact O-NH1 3.24Å; K132-R207 PolarHBondContact O-NH2 2.92Å
133	G	88.7	Confident	92.1	Very high	51 Å²	51	28.7 Å²	28.7	53%	0.526	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-76.7	-18	178.3	0	0	0	0	0	114.2	D131 A135 S136	D131-G133 PolarHBondContact O-N 3.43Å; G133-A135 PolarHBondContact O-N 3.26Å; G133-S136 PolarHBondContact O-N 2.84Å; G133-S136 VanDerWaalsContact O-N 3.08Å
134	D	91.3	Very high	91.9	Very high	15 Å²	15	29.2 Å²	29.2	8%	0.08	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-70.7	-16.4	-178.7	-69.4	-39.2	0	0	0	113.4	F130 D131 S136 A139 Y140 K143 F203	F130-D134 VanDerWaalsContact CA-OD2 3.27Å; F130-D134 WeakPolarHBondContact CA-OD2 3.29Å; F130-D134 HydrophobicContact CD1-CB 4.42Å; D131-D134 PolarHBondContact N-OD2 3.47Å; D131-D134 WeakPolarHBondContact O-CB 3.36Å; D131-D134 PolarHBondContact O-N 3.24Å; D134-S136 PolarHBondContact O-N 3.47Å; D134-A139 HydrophobicContact CB-CB 4.26Å; D134-Y140 WeakPolarHBondContact O-CB 3.4Å; D134-Y140 PolarHBondContact O-N 2.84Å; D134-K143 VanDerWaalsContact CG-CE 3.46Å; D134-K143 VanDerWaalsContact OD1-CE 3.25Å; D134-K143 WeakPolarHBondContact OD1-CE 3.37Å; D134-K143 IonicContact OD1-NZ 3.69Å; D134-K143 PolarHBondContact OD1-NZ 2.91Å; D134-K143 WeakPolarHBondContact OD2-CE 3.43Å; D134-K143 IonicContact OD2-NZ 2.7Å; D134-K143 PolarHBondContact OD2-NZ 3.27Å; D134-F203 HydrophobicContact CB-CZ 4.12Å
135	A	90.6	Very high	91.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.7	-16.7	171	0	0	0	0	0	112.7	G133 F203 F208 H214 Y236	G133-A135 PolarHBondContact O-N 3.26Å; A135-F203 HydrophobicContact CB-CE1 4.39Å; A135-F208 HydrophobicContact CB-CE1 4.07Å; A135-F208 HydrophobicContact CB-CZ 3.92Å; A135-H214 PolarHBondContact O-CD2 3.4Å; A135-Y236 VanDerWaalsContact O-CE1 3.26Å; A135-Y236 WeakPolarHBondContact O-CE1 3.38Å; A135-Y236 PolarHBondContact O-OH 3.14Å
136	S	90.4	Very high	91.5	Very high	42 Å²	42	28.5 Å²	28.5	29%	0.294	18%	0.175	S	C	.	.	S	Bend	trans	-103.2	143.3	-173.9	-64.4	0	0	0	0	113.4	G133 D134 Y138 A139	G133-S136 PolarHBondContact O-N 2.84Å; G133-S136 VanDerWaalsContact O-N 3.08Å; D134-S136 PolarHBondContact O-N 3.47Å; S136-Y138 PolarHBondContact O-N 3.39Å; S136-A139 WeakPolarHBondContact O-CB 3.48Å; S136-A139 PolarHBondContact O-N 2.93Å
137	S	86	Confident	91.5	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	49.2	163.8	-41.5	0	0	0	0	115.8	L86 A139 H214 K219	L86-S137 VanDerWaalsContact O-CB 3.3Å; L86-S137 WeakPolarHBondContact O-CB 3.32Å; S137-A139 PolarHBondContact O-N 3.42Å; S137-A139 VanDerWaalsContact O-N 3.16Å; S137-H214 PolarHBondContact N-O 2.9Å; S137-H214 VanDerWaalsContact N-O 3.09Å; S137-H214 PolarHBondContact OG-O 3.08Å; S137-K219 WeakPolarHBondContact OG-CD 3.28Å; S137-K219 WeakPolarHBondContact OG-CE 3.41Å; S137-K219 PolarHBondContact OG-NZ 3.14Å
138	Y	90.5	Very high	91.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	9.1	175.5	-59	-83.2	0	0	0	116.6	L83 L86 S136 Y140 H141 L142 R174 L215 F220 Y236 I435 F482	L83-Y138 HydrophobicContact CD2-CD1 4.25Å; L83-Y138 HydrophobicContact CD2-CG 4.13Å; L86-Y138 HydrophobicContact CB-CD2 4.44Å; L86-Y138 HydrophobicContact CD1-CD2 3.58Å; L86-Y138 HydrophobicContact CD1-CE2 3.97Å; L86-Y138 HydrophobicContact CD1-CG 4.37Å; S136-Y138 PolarHBondContact O-N 3.39Å; Y138-Y140 VanDerWaalsContact C-N 3.31Å; Y138-Y140 PolarHBondContact O-N 2.84Å; Y138-H141 HydrophobicContact CD1-CB 4.3Å; Y138-H141 AromaticContact CD1-CG 3.94Å; Y138-H141 AromaticContact CD1-ND1 3.53Å; Y138-H141 PolarHBondContact O-N 2.82Å; Y138-H141 VanDerWaalsContact O-N 3.16Å; Y138-L142 PolarHBondContact O-N 2.76Å; Y138-R174 HydrophobicContact CE1-CB 4.35Å; Y138-R174 HydrophobicContact CE1-CG 3.74Å; Y138-L215 HydrophobicContact CD2-CD2 4.39Å; Y138-L215 HydrophobicContact CE2-CD2 4.08Å; Y138-F220 HydrophobicContact CE2-CE1 4.16Å; Y138-F220 HydrophobicContact CE2-CZ 4.27Å; Y138-Y236 HydrophobicContact CD1-CD2 4.21Å; Y138-Y236 HydrophobicContact CD1-CE2 4.02Å; Y138-Y236 AromaticContact CE1-CD2 3.96Å; Y138-Y236 HydrophobicContact CE1-CD2 3.96Å; Y138-Y236 HydrophobicContact CE1-CE2 4.25Å; Y138-Y236 HydrophobicContact CG-CE2 4.19Å; Y138-Y236 PolarHBondContact N-OH 3.38Å; Y138-I435 PolarHBondContact OH-O 3.14Å; Y138-F482 HydrophobicContact CD1-CZ 4.11Å; Y138-F482 AromaticContact CE1-CZ 3.79Å; Y138-F482 HydrophobicContact CE1-CZ 3.79Å; Y138-F482 AromaticContact CZ-CZ 3.99Å
139	A	91.5	Very high	91.7	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-43.2	173.9	0	0	0	0	0	111.8	V87 D134 S136 S137 H141 L142 K143	V87-A139 HydrophobicContact CG1-CB 4.07Å; V87-A139 HydrophobicContact CG2-CB 3.97Å; D134-A139 HydrophobicContact CB-CB 4.26Å; S136-A139 WeakPolarHBondContact O-CB 3.48Å; S136-A139 PolarHBondContact O-N 2.93Å; S137-A139 PolarHBondContact O-N 3.42Å; S137-A139 VanDerWaalsContact O-N 3.16Å; A139-H141 PolarHBondContact O-N 2.78Å; A139-L142 PolarHBondContact O-N 3.29Å; A139-K143 WeakPolarHBondContact O-CG 3.47Å; A139-K143 PolarHBondContact O-N 2.72Å
140	Y	94.7	Very high	91.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-52.1	-51.5	170.3	173	-96	0	0	0	112.8	F130 D134 Y138 L142 K143 T144 A198 F203 I240 D243	F130-Y140 HydrophobicContact CD1-CD2 4.29Å; F130-Y140 AromaticContact CE1-CD2 3.85Å; F130-Y140 HydrophobicContact CE1-CD2 3.85Å; F130-Y140 HydrophobicContact CE1-CE2 4.14Å; F130-Y140 HydrophobicContact CZ-CE2 4.44Å; D134-Y140 WeakPolarHBondContact O-CB 3.4Å; D134-Y140 PolarHBondContact O-N 2.84Å; Y138-Y140 VanDerWaalsContact C-N 3.31Å; Y138-Y140 PolarHBondContact O-N 2.84Å; Y140-L142 VanDerWaalsContact C-N 3.33Å; Y140-L142 PolarHBondContact O-N 3.06Å; Y140-K143 PolarHBondContact O-N 3.09Å; Y140-T144 HydrophobicContact CD2-CG2 4.47Å; Y140-T144 HydrophobicContact CE1-CG2 4.15Å; Y140-T144 HydrophobicContact CE2-CG2 3.98Å; Y140-T144 PolarHBondContact O-N 3.33Å; Y140-T144 PolarHBondContact O-OG1 3.1Å; Y140-A198 HydrophobicContact CE2-CB 3.79Å; Y140-F203 HydrophobicContact CD2-CE2 4.1Å; Y140-I240 HydrophobicContact CD1-CD1 4.12Å; Y140-I240 HydrophobicContact CD1-CG1 3.7Å; Y140-I240 HydrophobicContact CE1-CG1 4.08Å; Y140-I240 HydrophobicContact CG-CD1 4.12Å; Y140-I240 HydrophobicContact CG-CG1 4.13Å; Y140-D243 WeakPolarHBondContact CE1-OD2 3.18Å; Y140-D243 WeakPolarHBondContact OH-CB 3.12Å; Y140-D243 VanDerWaalsContact OH-CG 3.31Å; Y140-D243 PolarHBondContact OH-OD2 3.47Å
141	H	94	Very high	91.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-35.5	-178.4	-58.3	88.1	0	0	0	112.4	L83 Y138 A139 T144 S145 R174 Y236 S239	L83-H141 HydrophobicContact CD1-CB 4.48Å; Y138-H141 HydrophobicContact CD1-CB 4.3Å; Y138-H141 AromaticContact CD1-CG 3.94Å; Y138-H141 AromaticContact CD1-ND1 3.53Å; Y138-H141 PolarHBondContact O-N 2.82Å; Y138-H141 VanDerWaalsContact O-N 3.16Å; A139-H141 PolarHBondContact O-N 2.78Å; H141-T144 PolarHBondContact O-OG1 3.42Å; H141-S145 WeakPolarHBondContact O-CB 3.46Å; H141-S145 PolarHBondContact O-N 3.31Å; H141-S145 PolarHBondContact O-OG 3.25Å; H141-R174 PolarHBondContact CD2-O 2.81Å; H141-Y236 AromaticContact CE1-CD2 3.7Å; H141-Y236 AromaticContact CE1-CE2 3.34Å; H141-Y236 WeakPolarHBondContact CE1-CE2 3.46Å; H141-Y236 AromaticContact ND1-CE2 3.59Å; H141-S239 PolarHBondContact NE2-OG 3.42Å
142	L	92	Very high	92	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-45.2	173.6	-178.5	59.6	0	0	0	111.2	V80 L83 V87 F91 F93 Y138 A139 Y140 S145 F146	V80-L142 HydrophobicContact CG1-CD1 4.22Å; L83-L142 HydrophobicContact CB-CB 4.35Å; L83-L142 HydrophobicContact CB-CD1 4.04Å; L83-L142 HydrophobicContact CD1-CB 4.4Å; L83-L142 HydrophobicContact CD1-CD1 4.47Å; V87-L142 HydrophobicContact CB-CD2 4.36Å; V87-L142 HydrophobicContact CG2-CB 4.43Å; V87-L142 HydrophobicContact CG2-CD2 3.78Å; F91-L142 HydrophobicContact CE2-CD2 4.07Å; F93-L142 HydrophobicContact CZ-CD2 4.05Å; F93-L142 HydrophobicContact CZ-CG 4.19Å; Y138-L142 PolarHBondContact O-N 2.76Å; A139-L142 PolarHBondContact O-N 3.29Å; Y140-L142 VanDerWaalsContact C-N 3.33Å; Y140-L142 PolarHBondContact O-N 3.06Å; L142-S145 PolarHBondContact O-N 2.94Å; L142-F146 VanDerWaalsContact O-CB 3.3Å; L142-F146 WeakPolarHBondContact O-CB 3.49Å; L142-F146 PolarHBondContact O-N 3.16Å
143	K	92.8	Very high	92.2	Very high	8 Å²	8	9.3 Å²	9.3	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-49.8	177.3	-58.1	-125.3	163.1	155.8	0	111.8	F93 M129 F130 D134 A139 Y140 F146 V147	F93-K143 HydrophobicContact CD1-CD 3.85Å; F93-K143 HydrophobicContact CD1-CG 4.07Å; F93-K143 HydrophobicContact CE1-CB 3.96Å; F93-K143 HydrophobicContact CE1-CD 3.62Å; F93-K143 HydrophobicContact CE1-CG 3.37Å; F93-K143 HydrophobicContact CZ-CD 4.32Å; F93-K143 HydrophobicContact CZ-CG 4.03Å; M129-K143 PolarHBondContact O-NZ 2.83Å; F130-K143 HydrophobicContact CD1-CB 4.39Å; F130-K143 HydrophobicContact CD1-CD 4.12Å; F130-K143 HydrophobicContact CD1-CG 4.36Å; F130-K143 HydrophobicContact CE1-CB 3.83Å; F130-K143 HydrophobicContact CE1-CD 4.37Å; F130-K143 HydrophobicContact CE1-CG 4.29Å; D134-K143 VanDerWaalsContact CG-CE 3.46Å; D134-K143 VanDerWaalsContact OD1-CE 3.25Å; D134-K143 WeakPolarHBondContact OD1-CE 3.37Å; D134-K143 IonicContact OD1-NZ 3.69Å; D134-K143 PolarHBondContact OD1-NZ 2.91Å; D134-K143 WeakPolarHBondContact OD2-CE 3.43Å; D134-K143 IonicContact OD2-NZ 2.7Å; D134-K143 PolarHBondContact OD2-NZ 3.27Å; A139-K143 WeakPolarHBondContact O-CG 3.47Å; A139-K143 PolarHBondContact O-N 2.72Å; Y140-K143 PolarHBondContact O-N 3.09Å; K143-F146 PolarHBondContact O-N 3.02Å; K143-V147 WeakPolarHBondContact O-CG2 3.4Å; K143-V147 PolarHBondContact O-N 2.79Å; K143-V147 VanDerWaalsContact O-N 3.13Å
144	T	94.8	Very high	92.3	Very high	11 Å²	11	10.2 Å²	10.2	7%	0.067	5%	0.054	C	C	.	.	H	α-helix	trans	-67.7	-39.4	-178.7	53.2	0	0	0	0	112.1	F130 Y140 H141 V147 L148	F130-T144 HydrophobicContact CE1-CG2 4.45Å; F130-T144 HydrophobicContact CZ-CG2 4.3Å; Y140-T144 HydrophobicContact CD2-CG2 4.47Å; Y140-T144 HydrophobicContact CE1-CG2 4.15Å; Y140-T144 HydrophobicContact CE2-CG2 3.98Å; Y140-T144 PolarHBondContact O-N 3.33Å; Y140-T144 PolarHBondContact O-OG1 3.1Å; H141-T144 PolarHBondContact O-OG1 3.42Å; T144-V147 PolarHBondContact O-N 3.32Å; T144-L148 PolarHBondContact O-N 3.31Å; T144-L148 VanDerWaalsContact O-N 3.13Å
145	S	93.2	Very high	92.4	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.014	5%	0.051	C	C	.	.	H	α-helix	trans	-63.3	-41.2	174.2	-64.1	0	0	0	0	112.2	Y79 H141 L142 L148 L149	Y79-S145 PolarHBondContact OH-OG 3.32Å; H141-S145 WeakPolarHBondContact O-CB 3.46Å; H141-S145 PolarHBondContact O-N 3.31Å; H141-S145 PolarHBondContact O-OG 3.25Å; L142-S145 PolarHBondContact O-N 2.94Å; S145-L148 PolarHBondContact O-N 3.42Å; S145-L149 WeakPolarHBondContact O-CG 3.48Å; S145-L149 PolarHBondContact O-N 3.12Å
146	F	91.8	Very high	92.5	Very high	9 Å²	9	15.8 Å²	15.8	4%	0.039	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-49.1	176.9	167.3	-134.4	0	0	0	111.3	Y61 I67 F93 L95 L142 K143 L148 L149 A150	Y61-F146 HydrophobicContact CD1-CZ 4.04Å; Y61-F146 AromaticContact CD2-CE1 3.9Å; Y61-F146 HydrophobicContact CD2-CE1 3.9Å; Y61-F146 AromaticContact CD2-CZ 3.61Å; Y61-F146 HydrophobicContact CD2-CZ 3.61Å; Y61-F146 HydrophobicContact CE1-CE2 4.36Å; Y61-F146 AromaticContact CE1-CZ 3.91Å; Y61-F146 HydrophobicContact CE1-CZ 3.91Å; Y61-F146 HydrophobicContact CE2-CE1 4.12Å; Y61-F146 AromaticContact CE2-CZ 3.49Å; Y61-F146 HydrophobicContact CE2-CZ 3.49Å; Y61-F146 VanDerWaalsContact CE2-CZ 3.49Å; Y61-F146 HydrophobicContact CG-CE1 4.29Å; Y61-F146 AromaticContact CG-CZ 3.89Å; Y61-F146 HydrophobicContact CG-CZ 3.89Å; Y61-F146 AromaticContact CZ-CZ 3.66Å; I67-F146 HydrophobicContact CB-CD2 4.05Å; I67-F146 HydrophobicContact CB-CE2 4.3Å; I67-F146 HydrophobicContact CD1-CB 4.33Å; I67-F146 HydrophobicContact CD1-CD1 3.89Å; I67-F146 HydrophobicContact CD1-CD2 3.22Å; I67-F146 HydrophobicContact CD1-CE1 3.95Å; I67-F146 HydrophobicContact CD1-CE2 3.35Å; I67-F146 HydrophobicContact CD1-CG 3.52Å; I67-F146 HydrophobicContact CD1-CZ 3.69Å; I67-F146 HydrophobicContact CG1-CD2 3.39Å; I67-F146 HydrophobicContact CG1-CE2 3.29Å; I67-F146 HydrophobicContact CG1-CG 4.21Å; I67-F146 HydrophobicContact CG1-CZ 3.99Å; I67-F146 HydrophobicContact CG2-CB 4.45Å; I67-F146 HydrophobicContact CG2-CD2 3.65Å; I67-F146 HydrophobicContact CG2-CE2 4.37Å; I67-F146 HydrophobicContact CG2-CG 4.36Å; F93-F146 HydrophobicContact CB-CE1 4.42Å; F93-F146 HydrophobicContact CD1-CD1 4.06Å; L95-F146 HydrophobicContact CB-CE1 4.31Å; L95-F146 HydrophobicContact CD1-CE1 4.18Å; L95-F146 HydrophobicContact CD2-CE1 4.17Å; L95-F146 HydrophobicContact CD2-CZ 3.93Å; L95-F146 HydrophobicContact CG-CE1 4.47Å; L142-F146 VanDerWaalsContact O-CB 3.3Å; L142-F146 WeakPolarHBondContact O-CB 3.49Å; L142-F146 PolarHBondContact O-N 3.16Å; K143-F146 PolarHBondContact O-N 3.02Å; F146-L148 VanDerWaalsContact C-N 3.28Å; F146-L148 PolarHBondContact O-N 3.43Å; F146-L149 PolarHBondContact O-N 3.09Å; F146-A150 HydrophobicContact CD2-CB 4.4Å; F146-A150 HydrophobicContact CE2-CB 3.98Å; F146-A150 HydrophobicContact CZ-CB 4.5Å; F146-A150 WeakPolarHBondContact O-CB 3.34Å; F146-A150 PolarHBondContact O-N 3.29Å
147	V	93.3	Very high	92.5	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-42.6	179.5	174.7	0	0	0	0	111.4	F56 L95 L123 M125 M129 K143 T144 L149 A150 V151 A196	F56-V147 HydrophobicContact CE2-CG1 4.12Å; L95-V147 HydrophobicContact CD1-CB 4.36Å; L95-V147 HydrophobicContact CD1-CG1 4.48Å; L95-V147 HydrophobicContact CD1-CG2 3.4Å; L95-V147 VanDerWaalsContact CD1-CG2 3.4Å; L123-V147 HydrophobicContact CD2-CG1 3.65Å; M125-V147 HydrophobicContact CE-CB 4.27Å; M125-V147 HydrophobicContact CE-CG2 3.5Å; M125-V147 HydrophobicContact SD-CB 3.57Å; M125-V147 VanDerWaalsContact SD-CB 3.57Å; M125-V147 HydrophobicContact SD-CG1 3.54Å; M125-V147 VanDerWaalsContact SD-CG1 3.54Å; M125-V147 HydrophobicContact SD-CG2 3.18Å; M125-V147 WeakPolarHBondContact SD-CG2 3.44Å; M129-V147 HydrophobicContact CE-CG2 3.78Å; K143-V147 WeakPolarHBondContact O-CG2 3.4Å; K143-V147 PolarHBondContact O-N 2.79Å; K143-V147 VanDerWaalsContact O-N 3.13Å; T144-V147 PolarHBondContact O-N 3.32Å; V147-L149 VanDerWaalsContact C-N 3.34Å; V147-L149 PolarHBondContact O-N 2.69Å; V147-A150 WeakPolarHBondContact O-CB 3.41Å; V147-A150 PolarHBondContact O-N 3.1Å; V147-V151 HydrophobicContact CG1-CG2 4.27Å; V147-V151 WeakPolarHBondContact O-CG2 3.42Å; V147-V151 PolarHBondContact O-N 2.85Å; V147-A196 HydrophobicContact CB-CB 4.45Å; V147-A196 HydrophobicContact CG1-CB 4.44Å
148	L	95.2	Very high	92.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.4	-44.5	177.9	-170.9	65.5	0	0	0	112.1	T144 S145 F146 V151 A152 L176 M178 L194	T144-L148 PolarHBondContact O-N 3.31Å; T144-L148 VanDerWaalsContact O-N 3.13Å; S145-L148 PolarHBondContact O-N 3.42Å; F146-L148 VanDerWaalsContact C-N 3.28Å; F146-L148 PolarHBondContact O-N 3.43Å; L148-V151 PolarHBondContact O-N 3.48Å; L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 3.31Å; L148-L176 HydrophobicContact CD2-CB 3.59Å; L148-M178 HydrophobicContact CD1-CB 3.64Å; L148-M178 HydrophobicContact CD2-CB 4.24Å; L148-M178 HydrophobicContact CG-CB 4.02Å; L148-L194 HydrophobicContact CD1-CD2 4.4Å; L148-L194 HydrophobicContact CD1-CG 4.27Å; L148-L194 VanDerWaalsContact CD1-O 3.29Å; L148-L194 WeakPolarHBondContact CD1-O 3.39Å
149	L	93.9	Very high	93.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-41	175.7	-72.3	167.2	0	0	0	112.1	I67 A71 F74 L76 V80 S145 F146 V147 A152 D153 I166	I67-L149 HydrophobicContact CG2-CD1 4.41Å; A71-L149 HydrophobicContact CB-CD1 3.91Å; A71-L149 HydrophobicContact CB-CD2 4.42Å; F74-L149 HydrophobicContact CD2-CD2 3.97Å; L76-L149 HydrophobicContact CD1-CD2 4.29Å; V80-L149 HydrophobicContact CG2-CD1 3.7Å; S145-L149 WeakPolarHBondContact O-CG 3.48Å; S145-L149 PolarHBondContact O-N 3.12Å; F146-L149 PolarHBondContact O-N 3.09Å; V147-L149 VanDerWaalsContact C-N 3.34Å; V147-L149 PolarHBondContact O-N 2.69Å; L149-A152 PolarHBondContact O-N 2.89Å; L149-D153 WeakPolarHBondContact O-CB 3.42Å; L149-D153 PolarHBondContact O-N 3.09Å; L149-I166 HydrophobicContact CD2-CD1 3.56Å
150	A	92.1	Very high	93.3	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-40	177.9	0	0	0	0	0	111.9	F56 L95 F146 V147 R154	F56-A150 HydrophobicContact CE1-CB 4.17Å; F56-A150 HydrophobicContact CZ-CB 3.99Å; L95-A150 HydrophobicContact CD2-CB 4.16Å; F146-A150 HydrophobicContact CD2-CB 4.4Å; F146-A150 HydrophobicContact CE2-CB 3.98Å; F146-A150 HydrophobicContact CZ-CB 4.5Å; F146-A150 WeakPolarHBondContact O-CB 3.34Å; F146-A150 PolarHBondContact O-N 3.29Å; V147-A150 WeakPolarHBondContact O-CB 3.41Å; V147-A150 PolarHBondContact O-N 3.1Å; A150-R154 WeakPolarHBondContact O-CG 3.31Å; A150-R154 PolarHBondContact O-NH1 3.33Å
151	V	94.5	Very high	93.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-50.1	173.5	174.6	0	0	0	0	110.2	I48 T52 F56 L123 V147 L148 D153 R154 V155 L194	I48-V151 HydrophobicContact CG2-CG1 4.06Å; T52-V151 HydrophobicContact CG2-CG2 3.74Å; F56-V151 HydrophobicContact CE2-CG2 4.1Å; F56-V151 HydrophobicContact CZ-CG2 3.77Å; L123-V151 HydrophobicContact CD2-CG2 4Å; V147-V151 HydrophobicContact CG1-CG2 4.27Å; V147-V151 WeakPolarHBondContact O-CG2 3.42Å; V147-V151 PolarHBondContact O-N 2.85Å; L148-V151 PolarHBondContact O-N 3.48Å; V151-D153 PolarHBondContact O-N 2.79Å; V151-R154 PolarHBondContact O-N 3.44Å; V151-V155 HydrophobicContact CG1-CG1 4.03Å; V151-V155 HydrophobicContact CG1-CG2 4.23Å; V151-V155 WeakPolarHBondContact O-CG1 3.35Å; V151-V155 VanDerWaalsContact O-CG2 3.29Å; V151-V155 WeakPolarHBondContact O-CG2 3.47Å; V151-V155 PolarHBondContact O-N 3Å; V151-L194 HydrophobicContact CG1-CD2 3.78Å
152	A	94.2	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-53.4	-43.3	-179.9	0	0	0	0	0	112.2	F74 L148 L149 R154 R156 I164 I166 M178	F74-A152 HydrophobicContact CE2-CB 3.78Å; F74-A152 HydrophobicContact CZ-CB 3.65Å; L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 3.31Å; L149-A152 PolarHBondContact O-N 2.89Å; A152-R154 VanDerWaalsContact C-N 3.28Å; A152-R154 PolarHBondContact O-N 3.45Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.96Å; A152-I164 HydrophobicContact CB-CG2 4.44Å; A152-I166 HydrophobicContact CB-CD1 3.97Å; A152-M178 WeakPolarHBondContact CA-SD 3.42Å; A152-M178 HydrophobicContact CB-CG 4.34Å; A152-M178 HydrophobicContact CB-SD 3.42Å; A152-M178 WeakPolarHBondContact CB-SD 3.47Å
153	D	91.3	Very high	93.5	Very high	42 Å²	42	37.2 Å²	37.2	23%	0.225	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-34.7	-179	-157.1	55.6	0	0	0	113.3	A70 R73 L149 V151	A70-D153 HydrophobicContact CB-CB 4.41Å; R73-D153 VanDerWaalsContact CD-OD1 3.26Å; R73-D153 WeakPolarHBondContact CD-OD1 3.43Å; R73-D153 IonicContact CZ-OD1 3.32Å; R73-D153 IonicContact CZ-OD2 2.74Å; R73-D153 IonicContact NE-OD1 3.7Å; R73-D153 IonicContact NH1-OD1 3.62Å; R73-D153 PolarHBondContact NH1-OD1 3.28Å; R73-D153 IonicContact NH1-OD2 3.71Å; R73-D153 PolarHBondContact NH1-OD2 2.8Å; L149-D153 WeakPolarHBondContact O-CB 3.42Å; L149-D153 PolarHBondContact O-N 3.09Å; V151-D153 PolarHBondContact O-N 2.79Å
154	R	90.8	Very high	93.7	Very high	71 Å²	71	38 Å²	38	27%	0.268	20%	0.203	S	C	.	.	H	α-helix	trans	-87.1	-32.5	-175.6	-67.2	175.9	175.2	81.7	-7.5	112.9	T51 S55 E59 Y61 A150 V151 A152	T51-R154 HydrophobicContact CG2-CB 3.66Å; S55-R154 VanDerWaalsContact CB-NE 3.33Å; S55-R154 VanDerWaalsContact OG-CD 3.25Å; S55-R154 WeakPolarHBondContact OG-CD 3.34Å; S55-R154 PolarHBondContact OG-NE 3.16Å; E59-R154 IonicContact OE1-CZ 3.74Å; E59-R154 IonicContact OE1-NH2 3.91Å; E59-R154 PolarHBondContact OE1-NH2 3.06Å; E59-R154 IonicContact OE2-CZ 3.85Å; E59-R154 IonicContact OE2-NH2 2.8Å; E59-R154 PolarHBondContact OE2-NH2 3.24Å; Y61-R154 PolarHBondContact OH-NH2 2.94Å; A150-R154 WeakPolarHBondContact O-CG 3.31Å; A150-R154 PolarHBondContact O-NH1 3.33Å; V151-R154 PolarHBondContact O-N 3.44Å; A152-R154 VanDerWaalsContact C-N 3.28Å; A152-R154 PolarHBondContact O-N 3.45Å
155	V	93.5	Very high	93.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-93.9	-13.2	-175.1	-54.3	0	0	0	0	113.9	M47 I48 T51 V151 S157 S158 I164 M178	M47-V155 HydrophobicContact CE-CB 3.88Å; M47-V155 HydrophobicContact CE-CG1 4.11Å; M47-V155 HydrophobicContact SD-CB 3.99Å; M47-V155 HydrophobicContact SD-CG1 3.72Å; I48-V155 HydrophobicContact CG1-CG1 4.27Å; T51-V155 HydrophobicContact CG2-CG1 4.23Å; V151-V155 HydrophobicContact CG1-CG1 4.03Å; V151-V155 HydrophobicContact CG1-CG2 4.23Å; V151-V155 WeakPolarHBondContact O-CG1 3.35Å; V151-V155 VanDerWaalsContact O-CG2 3.29Å; V151-V155 WeakPolarHBondContact O-CG2 3.47Å; V151-V155 PolarHBondContact O-N 3Å; V155-S157 PolarHBondContact O-N 2.94Å; V155-S157 VanDerWaalsContact O-N 3.08Å; V155-S158 WeakPolarHBondContact O-CB 3.4Å; V155-S158 PolarHBondContact O-N 3.29Å; V155-I164 HydrophobicContact CG2-CD1 3.74Å; V155-M178 HydrophobicContact CG2-CE 3.7Å; V155-M178 HydrophobicContact CG2-SD 4.44Å
156	R	91.3	Very high	93.6	Very high	129 Å²	129	40.9 Å²	40.9	49%	0.487	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.4	-178.1	74.7	-179.4	-175.8	84.7	5.6	115.3	A152 I164	A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.96Å; R156-I164 VanDerWaalsContact CA-CD1 3.48Å; R156-I164 HydrophobicContact CB-CD1 3.8Å; R156-I164 HydrophobicContact CB-CG1 4.49Å
157	S	90.9	Very high	93.5	Very high	93 Å²	93	41.8 Å²	41.8	65%	0.65	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	4.1	-178.5	-65.7	0	0	0	0	112.8	V155	V155-S157 PolarHBondContact O-N 2.94Å; V155-S157 VanDerWaalsContact O-N 3.08Å
158	S	94.1	Very high	93.3	Very high	28 Å²	28	42.2 Å²	42.2	20%	0.196	23%	0.229	C	C	.	.	S	Bend	trans	-67.2	143.1	177.4	179.2	0	0	0	0	111.3	V155 L160 V161	V155-S158 WeakPolarHBondContact O-CB 3.4Å; V155-S158 PolarHBondContact O-N 3.29Å; S158-L160 PolarHBondContact O-N 3.18Å; S158-L160 VanDerWaalsContact O-N 3.14Å; S158-L160 PolarHBondContact OG-N 2.72Å; S158-V161 PolarHBondContact O-N 2.97Å
159	A	94.7	Very high	93.1	Very high	96 Å²	96	43.2 Å²	43.2	79%	0.793	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.7	172.9	0	0	0	0	0	113.1	V161 P183	A159-V161 VanDerWaalsContact C-N 3.26Å; A159-V161 PolarHBondContact O-N 2.7Å; A159-P183 VanDerWaalsContact O-CG 3.23Å; A159-P183 WeakPolarHBondContact O-CG 3.15Å
160	L	95.4	Very high	92.6	Very high	48 Å²	48	49.4 Å²	49.4	25%	0.251	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.6	175.5	-63.7	176.2	0	0	0	113.3	Y40 A43 M47 S158 P183	Y40-L160 HydrophobicContact CD2-CD2 4.42Å; Y40-L160 HydrophobicContact CE2-CB 4.22Å; Y40-L160 HydrophobicContact CE2-CD2 4.29Å; Y40-L160 PolarHBondContact OH-O 3.22Å; A43-L160 HydrophobicContact CB-CD1 4.09Å; A43-L160 HydrophobicContact CB-CD2 4.46Å; M47-L160 HydrophobicContact CB-CD1 3.94Å; M47-L160 HydrophobicContact CG-CD1 4.35Å; S158-L160 PolarHBondContact O-N 3.18Å; S158-L160 VanDerWaalsContact O-N 3.14Å; S158-L160 PolarHBondContact OG-N 2.72Å; L160-P183 VanDerWaalsContact C-CD 3.48Å; L160-P183 WeakPolarHBondContact O-CD 3.5Å
161	V	95.9	Very high	92.1	Very high	13 Å²	13	51 Å²	51	8%	0.079	27%	0.27	C	S	.	.			trans	-127.3	121	-171	175.3	0	0	0	0	109.6	M47 S158 A159 I164 I180	M47-V161 HydrophobicContact CE-CG2 4.43Å; S158-V161 PolarHBondContact O-N 2.97Å; A159-V161 VanDerWaalsContact C-N 3.26Å; A159-V161 PolarHBondContact O-N 2.7Å; V161-I164 HydrophobicContact CG1-CD1 3.89Å; V161-I164 HydrophobicContact CG1-CG1 3.43Å; V161-I164 VanDerWaalsContact CG1-CG1 3.43Å; V161-I180 HydrophobicContact CG1-CG2 4.28Å; V161-I180 HydrophobicContact CG2-CG2 3.95Å
162	K	95.8	Very high	91.8	Very high	105 Å²	105	51.7 Å²	51.7	46%	0.457	27%	0.273	S	S	.	.	S	Bend	trans	-85.7	-47.4	170.6	-177.2	172.5	-174.3	168.9	0	111.3	V181 P182 D184	K162-V181 WeakPolarHBondContact CB-O 3.09Å; K162-V181 PolarHBondContact N-O 2.78Å; K162-P182 WeakPolarHBondContact CB-O 3.24Å; K162-D184 IonicContact NZ-OD2 3.11Å; K162-D184 PolarHBondContact NZ-OD2 3.21Å
163	Q	95	Very high	91.5	Very high	117 Å²	117	52 Å²	52	55%	0.547	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.9	-177.1	-177	180	-1.1	0	0	110.3	V181	Q163-V181 HydrophobicContact CB-CB 4.14Å; Q163-V181 HydrophobicContact CB-CG2 4.38Å; Q163-V181 PolarHBondContact N-O 2.76Å; Q163-V181 PolarHBondContact O-N 3.33Å
164	I	95.5	Very high	91.4	Very high	24 Å²	24	50.5 Å²	50.5	12%	0.123	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.1	167.2	-61.2	-174.9	0	0	0	108.4	F74 A152 V155 R156 V161 M178 V179	F74-I164 HydrophobicContact CE1-CB 4.39Å; F74-I164 HydrophobicContact CE1-CG2 3.88Å; F74-I164 HydrophobicContact CZ-CG2 4.35Å; A152-I164 HydrophobicContact CB-CG2 4.44Å; V155-I164 HydrophobicContact CG2-CD1 3.74Å; R156-I164 VanDerWaalsContact CA-CD1 3.48Å; R156-I164 HydrophobicContact CB-CD1 3.8Å; R156-I164 HydrophobicContact CB-CG1 4.49Å; V161-I164 HydrophobicContact CG1-CD1 3.89Å; V161-I164 HydrophobicContact CG1-CG1 3.43Å; V161-I164 VanDerWaalsContact CG1-CG1 3.43Å; I164-M178 HydrophobicContact CD1-CE 3.93Å; I164-M178 HydrophobicContact CD1-SD 4.22Å; I164-M178 HydrophobicContact CG2-CG 3.46Å; I164-M178 VanDerWaalsContact CG2-CG 3.46Å; I164-M178 HydrophobicContact CG2-SD 3.96Å; I164-V179 WeakPolarHBondContact CA-O 3.43Å
165	S	93.5	Very high	91.5	Very high	49 Å²	49	47.7 Å²	47.7	34%	0.343	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.6	162.5	61.9	0	0	0	0	109.6	M178 V179	S165-M178 CarbonylContact O-C 3.53Å; S165-V179 PolarHBondContact N-O 2.73Å; S165-V179 PolarHBondContact O-N 2.67Å
166	I	92.9	Very high	91.4	Very high	25 Å²	25	48 Å²	48	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.8	176	-58.6	-179.3	0	0	0	107.6	F74 L76 L149 A152 L176 T177 M178	F74-I166 HydrophobicContact CB-CD1 4.05Å; F74-I166 HydrophobicContact CB-CG1 4.45Å; F74-I166 HydrophobicContact CD1-CD1 3.86Å; F74-I166 HydrophobicContact CD1-CG1 3.92Å; F74-I166 HydrophobicContact CD2-CD1 3.64Å; F74-I166 HydrophobicContact CE1-CD1 4.21Å; F74-I166 HydrophobicContact CE1-CG1 4.3Å; F74-I166 HydrophobicContact CE2-CD1 4.01Å; F74-I166 HydrophobicContact CG-CD1 3.57Å; F74-I166 HydrophobicContact CG-CG1 4.07Å; F74-I166 HydrophobicContact CZ-CD1 4.28Å; L76-I166 HydrophobicContact CD1-CB 3.82Å; L76-I166 HydrophobicContact CD1-CD1 4.4Å; L76-I166 HydrophobicContact CD1-CG2 3.48Å; L76-I166 VanDerWaalsContact CD1-CG2 3.48Å; L149-I166 HydrophobicContact CD2-CD1 3.56Å; A152-I166 HydrophobicContact CB-CD1 3.97Å; I166-L176 HydrophobicContact CG2-CB 4.08Å; I166-L176 HydrophobicContact CG2-CD1 4.15Å; I166-L176 HydrophobicContact CG2-CD2 4.29Å; I166-L176 HydrophobicContact CG2-CG 4.41Å; I166-T177 WeakPolarHBondContact CA-O 3.43Å; I166-M178 HydrophobicContact CG1-CB 4.5Å; I166-M178 HydrophobicContact CG1-CG 4.46Å
167	T	90.5	Very high	91.6	Very high	27 Å²	27	42.2 Å²	42.2	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	-172.8	180	-169.4	0	0	0	0	109.8	L176 T177 V179	T167-L176 CarbonylContact O-C 3.48Å; T167-L176 WeakPolarHBondContact O-CA 3.14Å; T167-T177 HydrophobicContact CG2-CG2 3.55Å; T167-T177 PolarHBondContact N-O 3.25Å; T167-T177 PolarHBondContact O-N 3.32Å; T167-V179 HydrophobicContact CG2-CG2 3.83Å
168	Y	89.2	Confident	91.9	Very high	11 Å²	11	37.8 Å²	37.8	4%	0.043	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129	-177.6	-59.5	-81.2	0	0	0	111	Y79 H170 P173 K175 L176 F471 P483	Y79-Y168 HydrophobicContact CD2-CE1 4.27Å; Y79-Y168 HydrophobicContact CE2-CE1 4.09Å; Y168-H170 PolarHBondContact O-N 2.85Å; Y168-P173 VanDerWaalsContact CD1-CA 3.48Å; Y168-P173 HydrophobicContact CD1-CB 4.42Å; Y168-K175 CarbonylContact C-O 3.55Å; Y168-K175 WeakPolarHBondContact CA-O 3.42Å; Y168-L176 HydrophobicContact CD1-CD2 3.89Å; Y168-L176 HydrophobicContact CE1-CD2 3.71Å; Y168-F471 HydrophobicContact CD2-CB 3.85Å; Y168-F471 AromaticContact CD2-CD1 3.85Å; Y168-F471 HydrophobicContact CD2-CD1 3.85Å; Y168-F471 HydrophobicContact CD2-CG 4.24Å; Y168-F471 HydrophobicContact CE2-CD1 4.36Å; Y168-F471 HydrophobicContact CG-CB 4.39Å; Y168-F471 HydrophobicContact CG-CD1 4.22Å; Y168-P483 HydrophobicContact CD2-CG 4.49Å; Y168-P483 HydrophobicContact CE1-CG 3.96Å; Y168-P483 HydrophobicContact CE2-CB 4.16Å; Y168-P483 HydrophobicContact CE2-CG 3.76Å; Y168-P483 VanDerWaalsContact CZ-CG 3.46Å; Y168-P483 WeakPolarHBondContact OH-CD 2.83Å; Y168-P483 WeakPolarHBondContact OH-CG 3.46Å
169	R	89.6	Confident	91.9	Very high	22 Å²	22	37.3 Å²	37.3	8%	0.083	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-74.5	123.1	-175	-172.3	163.7	60.8	103.2	-12.4	110.5	D171 D172 K175 T177 D243	R169-D171 PolarHBondContact O-N 3.04Å; R169-D172 WeakPolarHBondContact O-CB 3.31Å; R169-D172 PolarHBondContact O-N 3.29Å; R169-K175 HydrophobicContact CB-CB 4.14Å; R169-K175 PolarHBondContact N-O 3.11Å; R169-T177 HydrophobicContact CB-CG2 4.17Å; R169-D243 IonicContact CZ-OD1 2.81Å; R169-D243 IonicContact NH1-OD1 2.66Å; R169-D243 IonicContact NH2-OD1 3.87Å; R169-D243 PolarHBondContact NH2-OD1 3.19Å; R169-D243 IonicContact NH2-OD2 3.9Å
170	H	84.4	Confident	92.1	Very high	130 Å²	130	32.7 Å²	32.7	60%	0.602	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	50.4	36.4	-176.4	-51.5	-58.1	0	0	0	112.9	Y168 D172	Y168-H170 PolarHBondContact O-N 2.85Å; H170-D172 PolarHBondContact O-N 3.03Å; H170-D172 VanDerWaalsContact O-N 3.11Å
171	D	81.9	Confident	92.1	Very high	39 Å²	39	32 Å²	32	21%	0.209	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	60.2	21.5	-179.8	-56.3	-46.5	0	0	0	113.8	R169 P173 G279 F471	R169-D171 PolarHBondContact O-N 3.04Å; D171-P173 WeakPolarHBondContact O-CD 3.47Å; D171-G279 WeakPolarHBondContact OD2-CA 3.26Å; D171-G279 PolarHBondContact OD2-N 2.98Å; D171-F471 HydrophobicContact CB-CD2 3.5Å; D171-F471 HydrophobicContact CB-CE2 3.73Å; D171-F471 WeakPolarHBondContact O-CE2 3.42Å
172	D	87.3	Confident	92.1	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.08	16%	0.157	C	C	.	.			trans	-90.2	109.8	171.8	-173.1	-18.4	0	0	0	109.8	R169 H170 R174 K175	R169-D172 WeakPolarHBondContact O-CB 3.31Å; R169-D172 PolarHBondContact O-N 3.29Å; H170-D172 PolarHBondContact O-N 3.03Å; H170-D172 VanDerWaalsContact O-N 3.11Å; D172-R174 VanDerWaalsContact CG-NE 3.31Å; D172-R174 VanDerWaalsContact CG-NH2 3.34Å; D172-R174 PolarHBondContact O-N 2.81Å; D172-R174 WeakPolarHBondContact OD1-CB 3.12Å; D172-R174 WeakPolarHBondContact OD1-CG 3.23Å; D172-R174 IonicContact OD1-CZ 3.46Å; D172-R174 PolarHBondContact OD1-N 2.92Å; D172-R174 IonicContact OD1-NE 3.91Å; D172-R174 PolarHBondContact OD1-NE 3.05Å; D172-R174 IonicContact OD1-NH2 2.87Å; D172-R174 PolarHBondContact OD1-NH2 2.78Å; D172-R174 IonicContact OD2-CZ 3.76Å; D172-R174 IonicContact OD2-NE 3.51Å; D172-R174 PolarHBondContact OD2-NE 3.09Å; D172-R174 IonicContact OD2-NH2 2.6Å; D172-R174 PolarHBondContact OD2-NH2 2.84Å; D172-K175 PolarHBondContact O-N 2.77Å
173	P	87.3	Confident	92.1	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.032	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.6	-178.6	29.2	-37.9	0	0	0	112.9	Y79 Y168 D171 K175 A438 M440 F471 F482 P483	Y79-P173 VanDerWaalsContact CE2-O 3.23Å; Y79-P173 WeakPolarHBondContact CE2-O 3.33Å; Y168-P173 VanDerWaalsContact CD1-CA 3.48Å; Y168-P173 HydrophobicContact CD1-CB 4.42Å; D171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-K175 VanDerWaalsContact C-N 3.28Å; P173-A438 HydrophobicContact CG-CB 3.75Å; P173-M440 HydrophobicContact CG-CG 4.1Å; P173-M440 HydrophobicContact CG-SD 3.75Å; P173-F471 HydrophobicContact CB-CE1 4.16Å; P173-F482 HydrophobicContact CB-CB 4.46Å; P173-F482 HydrophobicContact CB-CD1 4Å; P173-P483 HydrophobicContact CB-CG 4Å
174	R	89.9	Confident	92	Very high	11 Å²	11	27.1 Å²	27.1	4%	0.042	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.6	178.6	-52	170.8	-75.7	-140.9	-2.9	112	Y79 Y138 H141 D172 D436 A438 F482	Y79-R174 PolarHBondContact OH-O 3.19Å; Y79-R174 VanDerWaalsContact OH-O 3.14Å; Y138-R174 HydrophobicContact CE1-CB 4.35Å; Y138-R174 HydrophobicContact CE1-CG 3.74Å; H141-R174 PolarHBondContact CD2-O 2.81Å; D172-R174 VanDerWaalsContact CG-NE 3.31Å; D172-R174 VanDerWaalsContact CG-NH2 3.34Å; D172-R174 PolarHBondContact O-N 2.81Å; D172-R174 WeakPolarHBondContact OD1-CB 3.12Å; D172-R174 WeakPolarHBondContact OD1-CG 3.23Å; D172-R174 IonicContact OD1-CZ 3.46Å; D172-R174 PolarHBondContact OD1-N 2.92Å; D172-R174 IonicContact OD1-NE 3.91Å; D172-R174 PolarHBondContact OD1-NE 3.05Å; D172-R174 IonicContact OD1-NH2 2.87Å; D172-R174 PolarHBondContact OD1-NH2 2.78Å; D172-R174 IonicContact OD2-CZ 3.76Å; D172-R174 IonicContact OD2-NE 3.51Å; D172-R174 PolarHBondContact OD2-NE 3.09Å; D172-R174 IonicContact OD2-NH2 2.6Å; D172-R174 PolarHBondContact OD2-NH2 2.84Å; R174-D436 PolarHBondContact NH1-O 3.28Å; R174-A438 HydrophobicContact CG-CB 3.58Å; R174-F482 HydrophobicContact CG-CE1 4.39Å
175	K	92.1	Very high	91.8	Very high	12 Å²	12	31 Å²	31	5%	0.052	17%	0.173	C	C	.	.			trans	-127.8	122.1	-169.4	-59.7	-168.2	-179.8	-170.5	0	111.7	Y168 R169 D172 P173 S239 D243	Y168-K175 CarbonylContact C-O 3.55Å; Y168-K175 WeakPolarHBondContact CA-O 3.42Å; R169-K175 HydrophobicContact CB-CB 4.14Å; R169-K175 PolarHBondContact N-O 3.11Å; D172-K175 PolarHBondContact O-N 2.77Å; P173-K175 VanDerWaalsContact C-N 3.28Å; K175-S239 VanDerWaalsContact CE-O 3.29Å; K175-S239 WeakPolarHBondContact CE-O 3.35Å; K175-S239 WeakPolarHBondContact CE-OG 3.31Å; K175-S239 PolarHBondContact NZ-O 3.31Å; K175-D243 IonicContact NZ-OD1 3.66Å; K175-D243 PolarHBondContact NZ-OD1 2.95Å; K175-D243 IonicContact NZ-OD2 2.62Å; K175-D243 PolarHBondContact NZ-OD2 3.44Å
176	L	93.5	Very high	91.7	Very high	9 Å²	9	30 Å²	30	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	152.5	172.9	-59.3	-176.3	0	0	0	112	L76 Y79 L148 I166 T167 Y168	L76-L176 HydrophobicContact CD1-CD1 4.03Å; L76-L176 HydrophobicContact CD1-CD2 4.37Å; Y79-L176 HydrophobicContact CD1-CD1 4.07Å; Y79-L176 HydrophobicContact CD1-CD2 4.41Å; Y79-L176 HydrophobicContact CD1-CG 4.49Å; Y79-L176 HydrophobicContact CE1-CD1 3.6Å; Y79-L176 HydrophobicContact CE1-CD2 3.94Å; Y79-L176 HydrophobicContact CE1-CG 3.73Å; L148-L176 HydrophobicContact CD2-CB 3.59Å; I166-L176 HydrophobicContact CG2-CB 4.08Å; I166-L176 HydrophobicContact CG2-CD1 4.15Å; I166-L176 HydrophobicContact CG2-CD2 4.29Å; I166-L176 HydrophobicContact CG2-CG 4.41Å; T167-L176 CarbonylContact O-C 3.48Å; T167-L176 WeakPolarHBondContact O-CA 3.14Å; Y168-L176 HydrophobicContact CD1-CD2 3.89Å; Y168-L176 HydrophobicContact CE1-CD2 3.71Å
177	T	94.7	Very high	91.7	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.049	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.4	166.9	-171.9	0	0	0	0	109.8	I166 T167 R169 L194	I166-T177 WeakPolarHBondContact CA-O 3.43Å; T167-T177 HydrophobicContact CG2-CG2 3.55Å; T167-T177 PolarHBondContact N-O 3.25Å; T167-T177 PolarHBondContact O-N 3.32Å; R169-T177 HydrophobicContact CB-CG2 4.17Å; T177-L194 PolarHBondContact OG1-O 3Å
178	M	96	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.2	179.8	-179.5	-178.6	109	0	0	108.5	L148 A152 V155 I164 S165 I166 I180 N193 L194	L148-M178 HydrophobicContact CD1-CB 3.64Å; L148-M178 HydrophobicContact CD2-CB 4.24Å; L148-M178 HydrophobicContact CG-CB 4.02Å; A152-M178 WeakPolarHBondContact CA-SD 3.42Å; A152-M178 HydrophobicContact CB-CG 4.34Å; A152-M178 HydrophobicContact CB-SD 3.42Å; A152-M178 WeakPolarHBondContact CB-SD 3.47Å; V155-M178 HydrophobicContact CG2-CE 3.7Å; V155-M178 HydrophobicContact CG2-SD 4.44Å; I164-M178 HydrophobicContact CD1-CE 3.93Å; I164-M178 HydrophobicContact CD1-SD 4.22Å; I164-M178 HydrophobicContact CG2-CG 3.46Å; I164-M178 VanDerWaalsContact CG2-CG 3.46Å; I164-M178 HydrophobicContact CG2-SD 3.96Å; S165-M178 CarbonylContact O-C 3.53Å; I166-M178 HydrophobicContact CG1-CB 4.5Å; I166-M178 HydrophobicContact CG1-CG 4.46Å; M178-I180 HydrophobicContact CE-CD1 3.18Å; M178-I180 HydrophobicContact CE-CG1 3.24Å; M178-I180 HydrophobicContact CG-CG1 4.38Å; M178-N193 CarbonylContact O-C 3.57Å; M178-N193 WeakPolarHBondContact O-CA 3.47Å; M178-L194 HydrophobicContact CB-CB 4.3Å; M178-L194 HydrophobicContact CE-CB 4.39Å; M178-L194 HydrophobicContact CE-CD2 3.85Å; M178-L194 PolarHBondContact N-O 2.83Å; M178-L194 PolarHBondContact O-N 2.88Å; M178-L194 HydrophobicContact SD-CD2 4.36Å
179	V	95.6	Very high	91.8	Very high	17 Å²	17	36.8 Å²	36.8	10%	0.103	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	115.1	177.4	-173.8	0	0	0	0	108.4	I164 S165 T167 Q191	I164-V179 WeakPolarHBondContact CA-O 3.43Å; S165-V179 PolarHBondContact N-O 2.73Å; S165-V179 PolarHBondContact O-N 2.67Å; T167-V179 HydrophobicContact CG2-CG2 3.83Å; V179-Q191 HydrophobicContact CG1-CB 4.44Å
180	I	97.4	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.5	176.6	-59.2	164.2	0	0	0	108.6	L44 V161 M178 V192	L44-I180 HydrophobicContact CD1-CD1 4.26Å; L44-I180 HydrophobicContact CD2-CD1 4.09Å; V161-I180 HydrophobicContact CG1-CG2 4.28Å; V161-I180 HydrophobicContact CG2-CG2 3.95Å; M178-I180 HydrophobicContact CE-CD1 3.18Å; M178-I180 HydrophobicContact CE-CG1 3.24Å; M178-I180 HydrophobicContact CG-CG1 4.38Å; I180-V192 HydrophobicContact CB-CB 4.21Å; I180-V192 HydrophobicContact CD1-CG1 4.48Å; I180-V192 PolarHBondContact N-O 2.86Å; I180-V192 PolarHBondContact O-N 2.91Å
181	V	96.5	Very high	92.6	Very high	32 Å²	32	32.8 Å²	32.8	19%	0.194	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.2	167.8	-176	0	0	0	0	107.9	K162 Q163 Q187	K162-V181 WeakPolarHBondContact CB-O 3.09Å; K162-V181 PolarHBondContact N-O 2.78Å; Q163-V181 HydrophobicContact CB-CB 4.14Å; Q163-V181 HydrophobicContact CB-CG2 4.38Å; Q163-V181 PolarHBondContact N-O 2.76Å; Q163-V181 PolarHBondContact O-N 3.33Å; V181-Q187 HydrophobicContact CG1-CB 3.94Å
182	P	96.5	Very high	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-68.9	161.5	176.4	28.1	-33.6	0	0	0	111.8	Y40 K162 L186 Q187 C190	Y40-P182 HydrophobicContact CE1-CB 4.01Å; Y40-P182 HydrophobicContact CE2-CB 3.93Å; Y40-P182 WeakPolarHBondContact OH-CB 3.27Å; K162-P182 WeakPolarHBondContact CB-O 3.24Å; P182-L186 HydrophobicContact CB-CB 3.75Å; P182-L186 HydrophobicContact CG-CB 3.69Å; P182-L186 WeakPolarHBondContact CG-O 3.4Å; P182-Q187 WeakPolarHBondContact O-CB 3.29Å; P182-C190 WeakPolarHBondContact CD-O 3.43Å; P182-C190 WeakPolarHBondContact CG-O 3.42Å
183	P	95.7	Very high	93.7	Very high	41 Å²	41	31.1 Å²	31.1	27%	0.266	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-60.1	162.3	167.1	-20.6	30.4	0	0	0	113.3	A159 L160 L186 Q187	A159-P183 VanDerWaalsContact O-CG 3.23Å; A159-P183 WeakPolarHBondContact O-CG 3.15Å; L160-P183 VanDerWaalsContact C-CD 3.48Å; L160-P183 WeakPolarHBondContact O-CD 3.5Å; P183-L186 PolarHBondContact O-N 2.87Å; P183-Q187 PolarHBondContact O-N 3.34Å
184	D	92.3	Very high	94.2	Very high	93 Å²	93	30.9 Å²	30.9	50%	0.497	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140.7	168.8	-79.2	-65.8	0	0	0	111.3	K162 Q187	K162-D184 IonicContact NZ-OD2 3.11Å; K162-D184 PolarHBondContact NZ-OD2 3.21Å; D184-Q187 VanDerWaalsContact CG-NE2 3.25Å; D184-Q187 VanDerWaalsContact OD1-CG 3.27Å; D184-Q187 WeakPolarHBondContact OD1-CG 3.4Å; D184-Q187 PolarHBondContact OD1-NE2 2.96Å; D184-Q187 PolarHBondContact OD2-NE2 2.98Å
185	P	90.2	Very high	94.6	Very high	106 Å²	106	30.6 Å²	30.6	69%	0.688	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88	-3.3	3.6	35.4	-35.7	0	0	0	114.6	Q187	P185-Q187 PolarHBondContact O-N 3Å
186	L	92.5	Very high	94.9	Very high	28 Å²	28	30.4 Å²	30.4	15%	0.147	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-68.9	-17.3	-171.9	-77.7	177	0	0	0	114.6	V36 L37 Y40 P182 P183 N188 C189 C190	V36-L186 HydrophobicContact CG1-CD1 4.48Å; V36-L186 HydrophobicContact CG1-CD2 3.78Å; V36-L186 HydrophobicContact CG1-CG 4.49Å; L37-L186 HydrophobicContact CD2-CD2 4.23Å; Y40-L186 HydrophobicContact CD1-CD1 4.33Å; Y40-L186 HydrophobicContact CD2-CD1 3.7Å; Y40-L186 HydrophobicContact CE2-CD1 4.47Å; Y40-L186 HydrophobicContact CG-CD1 3.63Å; P182-L186 HydrophobicContact CB-CB 3.75Å; P182-L186 HydrophobicContact CG-CB 3.69Å; P182-L186 WeakPolarHBondContact CG-O 3.4Å; P183-L186 PolarHBondContact O-N 2.87Å; L186-N188 PolarHBondContact O-N 3.02Å; L186-N188 VanDerWaalsContact O-N 3.1Å; L186-C189 HydrophobicContact CD2-CB 4.14Å; L186-C189 WeakPolarHBondContact O-CA 3.45Å; L186-C189 WeakPolarHBondContact O-CB 3.43Å; L186-C189 PolarHBondContact O-N 3.33Å; L186-C190 PolarHBondContact O-N 3.32Å; L186-C190 VanDerWaalsContact O-N 3.09Å
187	Q	92.1	Very high	95	Very high	53 Å²	53	30 Å²	30	25%	0.248	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.8	-179.1	71.1	169.5	-6.8	0	0	113.7	V181 P182 P183 D184 P185	V181-Q187 HydrophobicContact CG1-CB 3.94Å; P182-Q187 WeakPolarHBondContact O-CB 3.29Å; P183-Q187 PolarHBondContact O-N 3.34Å; D184-Q187 VanDerWaalsContact CG-NE2 3.25Å; D184-Q187 VanDerWaalsContact OD1-CG 3.27Å; D184-Q187 WeakPolarHBondContact OD1-CG 3.4Å; D184-Q187 PolarHBondContact OD1-NE2 2.96Å; D184-Q187 PolarHBondContact OD2-NE2 2.98Å; P185-Q187 PolarHBondContact O-N 3Å
188	N	91.1	Very high	95.1	Very high	116 Å²	116	29.6 Å²	29.6	62%	0.62	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-91.1	-6.9	179	-64.6	-32.8	0	0	0	112.2	L186	L186-N188 PolarHBondContact O-N 3.02Å; L186-N188 VanDerWaalsContact O-N 3.1Å
189	C	91.2	Very high	95.2	Very high	35 Å²	35	30.1 Å²	30.1	24%	0.236	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-42.8	-177.1	-58.8	0	0	0	0	111.8	L37 A117 L186	L37-C189 HydrophobicContact CD2-CB 4.42Å; A117-C189 PolarHBondContact N-O 3.05Å; L186-C189 HydrophobicContact CD2-CB 4.14Å; L186-C189 WeakPolarHBondContact O-CA 3.45Å; L186-C189 WeakPolarHBondContact O-CB 3.43Å; L186-C189 PolarHBondContact O-N 3.33Å
190	C	94.6	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.8	-177.2	72.7	0	0	0	0	114.6	L37 V116 A117 I119 P182 L186	L37-C190 HydrophobicContact CD2-CB 3.47Å; L37-C190 VanDerWaalsContact CD2-CB 3.47Å; L37-C190 WeakPolarHBondContact CD2-SG 3.46Å; V116-C190 VanDerWaalsContact CG1-C 3.41Å; A117-C190 HydrophobicContact CB-CB 4.15Å; A117-C190 CarbonylContact O-C 3.52Å; A117-C190 WeakPolarHBondContact O-CA 3.31Å; A117-C190 WeakPolarHBondContact O-CB 3.49Å; I119-C190 HydrophobicContact CD1-CB 4.18Å; P182-C190 WeakPolarHBondContact CD-O 3.43Å; P182-C190 WeakPolarHBondContact CG-O 3.42Å; L186-C190 PolarHBondContact O-N 3.32Å; L186-C190 VanDerWaalsContact O-N 3.09Å
191	Q	95.4	Very high	94.8	Very high	68 Å²	68	38.1 Å²	38.1	32%	0.318	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.9	162.2	65.1	-179.2	14.8	0	0	108.4	V116 A117 I119 V179	V116-Q191 HydrophobicContact CG1-CB 4.33Å; V116-Q191 HydrophobicContact CG1-CG 4.33Å; A117-Q191 PolarHBondContact O-N 3.44Å; A117-Q191 VanDerWaalsContact O-O 3.13Å; I119-Q191 PolarHBondContact N-O 3.24Å; V179-Q191 HydrophobicContact CG1-CB 4.44Å
192	V	97.5	Very high	94.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.2	179.4	-179.3	0	0	0	0	109.8	Y40 L44 I119 L121 I180	Y40-V192 HydrophobicContact CE1-CG2 3.89Å; L44-V192 HydrophobicContact CD2-CB 4.03Å; L44-V192 HydrophobicContact CD2-CG1 3.81Å; L44-V192 HydrophobicContact CD2-CG2 3.89Å; I119-V192 HydrophobicContact CB-CG2 4.33Å; I119-V192 CarbonylContact O-C 3.57Å; I119-V192 WeakPolarHBondContact O-CA 3.45Å; L121-V192 HydrophobicContact CB-CG1 4.38Å; L121-V192 HydrophobicContact CD1-CG1 3.51Å; L121-V192 HydrophobicContact CG-CG1 3.63Å; I180-V192 HydrophobicContact CB-CB 4.21Å; I180-V192 HydrophobicContact CD1-CG1 4.48Å; I180-V192 PolarHBondContact N-O 2.86Å; I180-V192 PolarHBondContact O-N 2.91Å
193	N	96.6	Very high	94.7	Very high	20 Å²	20	37.9 Å²	37.9	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.8	173.1	-57.5	-40.8	0	0	0	109.1	S118 I119 D120 L121 M178	S118-N193 PolarHBondContact OG-ND2 3.46Å; I119-N193 PolarHBondContact O-N 2.79Å; D120-N193 CarbonylContact C-O 3.18Å; D120-N193 WeakPolarHBondContact CA-O 3.49Å; D120-N193 WeakPolarHBondContact OD1-CB 3.45Å; D120-N193 PolarHBondContact OD1-ND2 2.86Å; L121-N193 PolarHBondContact N-O 2.82Å; M178-N193 CarbonylContact O-C 3.57Å; M178-N193 WeakPolarHBondContact O-CA 3.47Å
194	L	97.9	Very high	94.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.8	174.1	-177.3	72.9	0	0	0	109.8	I48 L121 L123 L148 V151 T177 M178	I48-L194 HydrophobicContact CD1-CD1 4.42Å; I48-L194 HydrophobicContact CD1-CD2 4.04Å; L121-L194 HydrophobicContact CB-CD1 3.7Å; L121-L194 WeakPolarHBondContact O-CA 3.32Å; L123-L194 HydrophobicContact CB-CD1 4.37Å; L148-L194 HydrophobicContact CD1-CD2 4.4Å; L148-L194 HydrophobicContact CD1-CG 4.27Å; L148-L194 VanDerWaalsContact CD1-O 3.29Å; L148-L194 WeakPolarHBondContact CD1-O 3.39Å; V151-L194 HydrophobicContact CG1-CD2 3.78Å; T177-L194 PolarHBondContact OG1-O 3Å; M178-L194 HydrophobicContact CB-CB 4.3Å; M178-L194 HydrophobicContact CE-CB 4.39Å; M178-L194 HydrophobicContact CE-CD2 3.85Å; M178-L194 PolarHBondContact N-O 2.83Å; M178-L194 PolarHBondContact O-N 2.88Å; M178-L194 HydrophobicContact SD-CD2 4.36Å
195	F	97.5	Very high	94.7	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	155.9	171.3	63.5	-92	0	0	0	111.3	V104 D120 L121 A122 L123 L246	V104-F195 HydrophobicContact CG2-CE1 3.98Å; V104-F195 HydrophobicContact CG2-CZ 3.74Å; D120-F195 HydrophobicContact CB-CE1 4.22Å; L121-F195 PolarHBondContact O-N 2.9Å; A122-F195 WeakPolarHBondContact CA-O 3.2Å; A122-F195 HydrophobicContact CB-CD2 4.44Å; A122-F195 HydrophobicContact CB-CE1 4.35Å; A122-F195 HydrophobicContact CB-CE2 3.74Å; A122-F195 HydrophobicContact CB-CZ 3.7Å; L123-F195 WeakPolarHBondContact CB-O 3.37Å; L123-F195 PolarHBondContact N-O 3.03Å; F195-L246 HydrophobicContact CE2-CD2 3.78Å; F195-L246 HydrophobicContact CZ-CD2 3.91Å
196	A	97.3	Very high	94.8	Very high	7 Å²	7	40.5 Å²	40.5	6%	0.058	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	145.6	179	0	0	0	0	0	111.9	L123 M125 V147	L123-A196 HydrophobicContact CB-CB 4.43Å; L123-A196 HydrophobicContact CD2-CB 4.43Å; L123-A196 WeakPolarHBondContact O-CA 3.48Å; M125-A196 HydrophobicContact CG-CB 4.33Å; M125-A196 HydrophobicContact SD-CB 4.49Å; V147-A196 HydrophobicContact CB-CB 4.45Å; V147-A196 HydrophobicContact CG1-CB 4.44Å
197	F	97.2	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154.5	174	78.1	-73.2	0	0	0	110.6	H102 A122 L123 E124 M125 D243 L246 L247	H102-F197 AromaticContact CD2-CZ 3.95Å; A122-F197 HydrophobicContact CB-CD1 3.74Å; A122-F197 HydrophobicContact CB-CE1 3.56Å; L123-F197 VanDerWaalsContact O-CD1 3.3Å; L123-F197 WeakPolarHBondContact O-CD1 3.45Å; L123-F197 PolarHBondContact O-N 3.17Å; E124-F197 VanDerWaalsContact CA-CE1 3.48Å; E124-F197 HydrophobicContact CB-CE1 3.68Å; E124-F197 HydrophobicContact CB-CZ 3.65Å; E124-F197 HydrophobicContact CG-CE1 4.31Å; E124-F197 HydrophobicContact CG-CE2 4.28Å; E124-F197 HydrophobicContact CG-CZ 3.84Å; M125-F197 WeakPolarHBondContact CB-O 2.92Å; M125-F197 WeakPolarHBondContact CG-O 3.46Å; M125-F197 PolarHBondContact N-O 2.78Å; F197-D243 HydrophobicContact CB-CB 4.03Å; F197-D243 WeakPolarHBondContact CD2-O 3.43Å; F197-L246 HydrophobicContact CD1-CD2 4.18Å; F197-L246 HydrophobicContact CD2-CD2 4.33Å; F197-L246 HydrophobicContact CE1-CD2 4.28Å; F197-L246 HydrophobicContact CE2-CD2 4.44Å; F197-L246 HydrophobicContact CG-CD2 4.21Å; F197-L246 HydrophobicContact CZ-CD2 4.42Å; F197-L247 HydrophobicContact CE2-CD1 4.46Å; F197-L247 HydrophobicContact CE2-CG 4.26Å; F197-L247 HydrophobicContact CZ-CD1 4.23Å; F197-L247 HydrophobicContact CZ-CD2 4.13Å; F197-L247 HydrophobicContact CZ-CG 4.16Å
198	A	96.9	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	145	175.2	0	0	0	0	0	111.4	F130 Y140 T202 L244	F130-A198 HydrophobicContact CD2-CB 3.98Å; F130-A198 HydrophobicContact CE1-CB 4.3Å; F130-A198 HydrophobicContact CE2-CB 3.45Å; F130-A198 VanDerWaalsContact CE2-CB 3.45Å; F130-A198 HydrophobicContact CZ-CB 3.62Å; Y140-A198 HydrophobicContact CE2-CB 3.79Å; A198-T202 HydrophobicContact CB-CG2 4.09Å; A198-L244 HydrophobicContact CB-CD2 4.15Å
199	S	96.7	Very high	95	Very high	11 Å²	11	35.4 Å²	35.4	8%	0.077	18%	0.178	C	C	.	.			trans	-49.6	143	171.6	-72.6	0	0	0	0	111.5	E124 M125 N201 T202	E124-S199 VanDerWaalsContact CG-OG 3.31Å; E124-S199 WeakPolarHBondContact CG-OG 3.17Å; E124-S199 WeakPolarHBondContact OE1-CB 3.28Å; E124-S199 PolarHBondContact OE1-OG 3.31Å; M125-S199 PolarHBondContact O-N 2.64Å; M125-S199 PolarHBondContact O-OG 3.47Å; M125-S199 VanDerWaalsContact O-OG 3.06Å; S199-N201 PolarHBondContact O-N 2.87Å; S199-T202 PolarHBondContact N-OG1 3.25Å; S199-T202 VanDerWaalsContact O-CB 3.28Å; S199-T202 WeakPolarHBondContact O-CB 3.35Å; S199-T202 PolarHBondContact O-N 2.64Å; S199-T202 PolarHBondContact O-OG1 2.85Å
200	P	92.9	Very high	95.1	Very high	35 Å²	35	33.8 Å²	33.8	23%	0.227	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.9	-173.7	-31	36.2	0	0	0	115.8	L244 L247	P200-L244 WeakPolarHBondContact CB-O 3.48Å; P200-L247 HydrophobicContact CG-CD1 4.2Å
201	N	92	Very high	94.9	Very high	150 Å²	150	37.6 Å²	37.6	80%	0.802	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	6.8	-177.9	-64.1	-32.1	0	0	0	114.4	S199 F203	S199-N201 PolarHBondContact O-N 2.87Å; N201-F203 VanDerWaalsContact C-N 3.29Å; N201-F203 PolarHBondContact O-N 3.5Å
202	T	95.3	Very high	94.8	Very high	21 Å²	21	36.6 Å²	36.6	13%	0.129	19%	0.193	C	C	.	.	S	Bend	trans	-61.5	-39.6	-178.7	-57.8	0	0	0	0	111.8	F130 A198 S199	F130-T202 HydrophobicContact CB-CG2 3.47Å; F130-T202 VanDerWaalsContact CB-CG2 3.47Å; F130-T202 HydrophobicContact CD2-CG2 3.66Å; F130-T202 HydrophobicContact CG-CG2 3.74Å; A198-T202 HydrophobicContact CB-CG2 4.09Å; S199-T202 PolarHBondContact N-OG1 3.25Å; S199-T202 VanDerWaalsContact O-CB 3.28Å; S199-T202 WeakPolarHBondContact O-CB 3.35Å; S199-T202 PolarHBondContact O-N 2.64Å; S199-T202 PolarHBondContact O-OG1 2.85Å
203	F	95.3	Very high	94.5	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	-135.7	142	178.8	-56.7	-60.2	0	0	0	110.6	F130 D131 D134 A135 Y140 N201 L205 F208 L244	F130-F203 HydrophobicContact CB-CE1 4.38Å; F130-F203 HydrophobicContact CB-CZ 3.83Å; F130-F203 HydrophobicContact CD1-CZ 4.38Å; F130-F203 HydrophobicContact CG-CZ 4.37Å; D131-F203 WeakPolarHBondContact O-CE1 3.49Å; D134-F203 HydrophobicContact CB-CZ 4.12Å; A135-F203 HydrophobicContact CB-CE1 4.39Å; Y140-F203 HydrophobicContact CD2-CE2 4.1Å; N201-F203 VanDerWaalsContact C-N 3.29Å; N201-F203 PolarHBondContact O-N 3.5Å; F203-L205 PolarHBondContact O-N 2.68Å; F203-F208 HydrophobicContact CB-CE2 3.59Å; F203-F208 HydrophobicContact CB-CZ 4.05Å; F203-F208 HydrophobicContact CD2-CE2 4.17Å; F203-F208 AromaticContact CD2-CZ 3.96Å; F203-F208 HydrophobicContact CD2-CZ 3.96Å; F203-F208 HydrophobicContact CG-CE2 4.12Å; F203-F208 HydrophobicContact CG-CZ 4.09Å; F203-L244 HydrophobicContact CB-CD1 4.15Å; F203-L244 HydrophobicContact CD2-CD1 4.3Å; F203-L244 HydrophobicContact CD2-CD2 4.44Å
204	P	94	Very high	94.3	Very high	68 Å²	68	40 Å²	40	44%	0.442	21%	0.21	S	C	.	.			trans	-62.2	124.9	171	-20.1	30.8	0	0	0	111.3	R206 R207	P204-R206 VanDerWaalsContact C-N 3.28Å; P204-R206 HydrophobicContact CB-CG 4.35Å; P204-R206 PolarHBondContact O-N 2.91Å; P204-R207 HydrophobicContact CB-CG 4.33Å; P204-R207 VanDerWaalsContact O-CB 3.3Å; P204-R207 WeakPolarHBondContact O-CB 3.42Å; P204-R207 PolarHBondContact O-N 2.87Å
205	L	94	Very high	93.9	Very high	41 Å²	41	40.1 Å²	40.1	22%	0.215	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-54.7	-39.9	-174.8	-59.4	-177.2	0	0	0	113.4	F203 R207 F208 L241 L244 T245 F359	F203-L205 PolarHBondContact O-N 2.68Å; L205-R207 PolarHBondContact O-N 2.87Å; L205-F208 PolarHBondContact O-N 3.11Å; L205-L241 HydrophobicContact CB-CD2 4Å; L205-L241 HydrophobicContact CD2-CD2 3.88Å; L205-L241 HydrophobicContact CG-CD2 4.49Å; L205-L244 HydrophobicContact CD2-CB 3.68Å; L205-L244 HydrophobicContact CD2-CD1 3.99Å; L205-T245 HydrophobicContact CD1-CG2 3.95Å; L205-T245 HydrophobicContact CD2-CG2 4.05Å; L205-F359 HydrophobicContact CB-CD1 4.05Å; L205-F359 HydrophobicContact CB-CD2 3.91Å; L205-F359 HydrophobicContact CB-CE1 4.2Å; L205-F359 HydrophobicContact CB-CE2 4.07Å; L205-F359 HydrophobicContact CB-CG 3.91Å; L205-F359 HydrophobicContact CB-CZ 4.21Å; L205-F359 HydrophobicContact CD1-CD2 3.66Å; L205-F359 HydrophobicContact CD1-CE2 3.98Å; L205-F359 HydrophobicContact CD1-CG 4.32Å; L205-F359 HydrophobicContact CG-CD2 4.46Å
206	R	91.9	Very high	93.4	Very high	186 Å²	186	42 Å²	42	70%	0.702	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-54.8	-23.3	177.3	70.8	179.7	-178.1	-138.5	0.5	114.5	P204 F208 A209 F359	P204-R206 VanDerWaalsContact C-N 3.28Å; P204-R206 HydrophobicContact CB-CG 4.35Å; P204-R206 PolarHBondContact O-N 2.91Å; R206-F208 PolarHBondContact O-N 3.15Å; R206-A209 PolarHBondContact O-N 2.9Å; R206-F359 HydrophobicContact CB-CE1 4.18Å
207	R	92.7	Very high	92.6	Very high	79 Å²	79	43.2 Å²	43.2	30%	0.298	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-62.7	-22.3	175.3	-70.9	-172.3	67.4	-174.2	-3	111.7	K132 P204 L205 V212 H214	K132-R207 PolarHBondContact O-NH1 3.24Å; K132-R207 PolarHBondContact O-NH2 2.92Å; P204-R207 HydrophobicContact CB-CG 4.33Å; P204-R207 VanDerWaalsContact O-CB 3.3Å; P204-R207 WeakPolarHBondContact O-CB 3.42Å; P204-R207 PolarHBondContact O-N 2.87Å; L205-R207 PolarHBondContact O-N 2.87Å; R207-V212 VanDerWaalsContact O-CB 3.24Å; R207-V212 WeakPolarHBondContact O-CB 3.34Å; R207-V212 WeakPolarHBondContact O-CG1 3.42Å; R207-H214 PolarHBondContact O-CE1 2.66Å
208	F	95.1	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-108.7	24.6	-179.1	-54.2	-78.1	0	0	0	112.2	A135 F203 L205 R206 H214 N237 I240 L241 L244	A135-F208 HydrophobicContact CB-CE1 4.07Å; A135-F208 HydrophobicContact CB-CZ 3.92Å; F203-F208 HydrophobicContact CB-CE2 3.59Å; F203-F208 HydrophobicContact CB-CZ 4.05Å; F203-F208 HydrophobicContact CD2-CE2 4.17Å; F203-F208 AromaticContact CD2-CZ 3.96Å; F203-F208 HydrophobicContact CD2-CZ 3.96Å; F203-F208 HydrophobicContact CG-CE2 4.12Å; F203-F208 HydrophobicContact CG-CZ 4.09Å; L205-F208 PolarHBondContact O-N 3.11Å; R206-F208 PolarHBondContact O-N 3.15Å; F208-H214 AromaticContact CD1-CE1 3.33Å; F208-H214 WeakPolarHBondContact CD1-CE1 3.18Å; F208-H214 AromaticContact CD1-ND1 3.86Å; F208-H214 AromaticContact CE1-CE1 3.57Å; F208-H214 AromaticContact CE1-NE2 3.92Å; F208-N237 HydrophobicContact CB-CB 4.01Å; F208-N237 WeakPolarHBondContact O-CB 3.49Å; F208-I240 HydrophobicContact CD1-CB 4.12Å; F208-I240 HydrophobicContact CD1-CD1 4.21Å; F208-I240 HydrophobicContact CD1-CG2 4.23Å; F208-I240 HydrophobicContact CD2-CG2 4.36Å; F208-I240 HydrophobicContact CE1-CB 4.01Å; F208-I240 HydrophobicContact CE1-CD1 3.56Å; F208-I240 HydrophobicContact CE1-CG1 4.37Å; F208-I240 HydrophobicContact CE1-CG2 3.8Å; F208-I240 HydrophobicContact CE2-CG2 3.92Å; F208-I240 HydrophobicContact CZ-CB 4.35Å; F208-I240 HydrophobicContact CZ-CD1 4.22Å; F208-I240 HydrophobicContact CZ-CG2 3.62Å; F208-L241 HydrophobicContact CB-CD1 3.65Å; F208-L241 HydrophobicContact CB-CD2 3.81Å; F208-L241 HydrophobicContact CB-CG 3.43Å; F208-L241 VanDerWaalsContact CB-CG 3.43Å; F208-L241 HydrophobicContact CD2-CD2 4.17Å; F208-L241 HydrophobicContact CD2-CG 4.43Å; F208-L241 HydrophobicContact CG-CD2 4.4Å; F208-L241 HydrophobicContact CG-CG 4.2Å; F208-L241 WeakPolarHBondContact O-CD1 3.38Å; F208-L244 HydrophobicContact CD2-CD1 4.05Å; F208-L244 HydrophobicContact CE2-CD1 3.68Å
209	A	93	Very high	91.3	Very high	10 Å²	10	51 Å²	51	8%	0.083	27%	0.267	C	S	.	.			trans	-56.7	152.6	168.5	0	0	0	0	0	110.4	R206 S211 V212 N237 V340	R206-A209 PolarHBondContact O-N 2.9Å; A209-S211 PolarHBondContact O-N 3.29Å; A209-S211 VanDerWaalsContact O-N 3.1Å; A209-V212 HydrophobicContact CB-CG2 4.05Å; A209-V212 PolarHBondContact O-N 3.19Å; A209-N237 PolarHBondContact O-ND2 2.92Å; A209-V340 HydrophobicContact CB-CG1 4.25Å; A209-V340 HydrophobicContact CB-CG2 3.64Å
210	P	93.5	Very high	90.8	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.013	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.3	-173.5	-27.1	35.4	0	0	0	114.2	V212 V340 F345 N348 F349	P210-V212 VanDerWaalsContact C-N 3.35Å; P210-V212 PolarHBondContact O-N 2.85Å; P210-V340 HydrophobicContact CG-CG1 4.46Å; P210-F345 HydrophobicContact CG-CD1 3.45Å; P210-F345 VanDerWaalsContact CG-CD1 3.45Å; P210-F345 HydrophobicContact CG-CD2 4.47Å; P210-F345 HydrophobicContact CG-CE1 3.54Å; P210-F345 HydrophobicContact CG-CG 3.96Å; P210-F345 HydrophobicContact CG-CZ 4.11Å; P210-N348 HydrophobicContact CB-CB 3.95Å; P210-F349 HydrophobicContact CB-CE2 4.01Å; P210-F349 HydrophobicContact CG-CE2 4.02Å
211	S	91.2	Very high	90.4	Very high	79 Å²	79	54.9 Å²	54.9	55%	0.552	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.7	-179.6	57	0	0	0	0	115.1	A209	A209-S211 PolarHBondContact O-N 3.29Å; A209-S211 VanDerWaalsContact O-N 3.1Å
212	V	92.9	Very high	90	Very high	48 Å²	48	49.4 Å²	49.4	29%	0.291	25%	0.251	S	S	.	.			trans	-81.7	140.3	-178.2	-175.6	0	0	0	0	110.7	R207 A209 P210 N237	R207-V212 VanDerWaalsContact O-CB 3.24Å; R207-V212 WeakPolarHBondContact O-CB 3.34Å; R207-V212 WeakPolarHBondContact O-CG1 3.42Å; A209-V212 HydrophobicContact CB-CG2 4.05Å; A209-V212 PolarHBondContact O-N 3.19Å; P210-V212 VanDerWaalsContact C-N 3.35Å; P210-V212 PolarHBondContact O-N 2.85Å; V212-N237 PolarHBondContact O-ND2 2.89Å
213	I	91.3	Very high	89.5	Confident	78 Å²	78	48.4 Å²	48.4	40%	0.4	25%	0.245	S	C	.	.			trans	-106.9	125.8	-174.5	-58.1	171.9	0	0	0	111	A230 L231	I213-A230 HydrophobicContact CD1-CB 3.88Å; I213-A230 HydrophobicContact CG2-CB 3.76Å; I213-L231 WeakPolarHBondContact CG2-O 3.33Å
214	H	92	Very high	88.9	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.06	27%	0.269	C	S	.	.			trans	-120.1	-7	177.1	-70.6	114.6	0	0	0	114.7	A135 S137 R207 F208 S233 Y236 N237	A135-H214 PolarHBondContact O-CD2 3.4Å; S137-H214 PolarHBondContact N-O 2.9Å; S137-H214 VanDerWaalsContact N-O 3.09Å; S137-H214 PolarHBondContact OG-O 3.08Å; R207-H214 PolarHBondContact O-CE1 2.66Å; F208-H214 AromaticContact CD1-CE1 3.33Å; F208-H214 WeakPolarHBondContact CD1-CE1 3.18Å; F208-H214 AromaticContact CD1-ND1 3.86Å; F208-H214 AromaticContact CE1-CE1 3.57Å; F208-H214 AromaticContact CE1-NE2 3.92Å; H214-S233 PolarHBondContact N-OG 3.02Å; H214-S233 VanDerWaalsContact N-OG 3.09Å; H214-Y236 HydrophobicContact CB-CD1 3.76Å; H214-Y236 HydrophobicContact CB-CE1 3.45Å; H214-Y236 VanDerWaalsContact CB-CE1 3.45Å; H214-Y236 AromaticContact CG-CE1 3.92Å; H214-N237 PolarHBondContact ND1-OD1 3.1Å
215	L	89.9	Confident	88.2	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.7	-179.2	-55.5	-176.4	0	0	0	109.8	Y138 F220 L231 Y236 I435 D436	Y138-L215 HydrophobicContact CD2-CD2 4.39Å; Y138-L215 HydrophobicContact CE2-CD2 4.08Å; L215-F220 HydrophobicContact CB-CE2 3.86Å; L215-F220 HydrophobicContact CB-CZ 4.16Å; L215-F220 HydrophobicContact CD2-CZ 4.05Å; L215-F220 HydrophobicContact CG-CZ 4.47Å; L215-L231 HydrophobicContact CB-CB 4.37Å; L215-L231 PolarHBondContact O-N 3.1Å; L215-Y236 HydrophobicContact CD2-CD2 3.93Å; L215-Y236 HydrophobicContact CD2-CE2 4.14Å; L215-Y236 HydrophobicContact CD2-CG 4.15Å; L215-I435 HydrophobicContact CD1-CG2 3.92Å; L215-D436 HydrophobicContact CD1-CB 4.5Å
216	S	85.5	Confident	87.5	Confident	45 Å²	45	57.9 Å²	57.9	32%	0.315	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.7	177.9	169.8	0	0	0	0	110.3	D218 K219 F220	S216-D218 VanDerWaalsContact C-N 3.26Å; S216-D218 PolarHBondContact O-N 3.3Å; S216-K219 PolarHBondContact O-N 3.46Å; S216-F220 WeakPolarHBondContact O-CD2 3.47Å; S216-F220 WeakPolarHBondContact O-CE2 3.38Å
217	K	82.3	Confident	86.9	Confident	33 Å²	33	56.7 Å²	56.7	14%	0.143	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-50.4	-43	-179.4	167.1	-174.8	154.7	-178.1	0	113.2	K219 F220 A223 R224 L226 L228 K229	K217-K219 PolarHBondContact O-N 2.93Å; K217-F220 PolarHBondContact O-N 3.47Å; K217-A223 HydrophobicContact CB-CB 4.44Å; K217-A223 WeakPolarHBondContact CD-O 3.36Å; K217-A223 WeakPolarHBondContact CE-O 3.03Å; K217-A223 HydrophobicContact CG-CB 3.83Å; K217-A223 WeakPolarHBondContact CG-O 3.32Å; K217-R224 VanDerWaalsContact CE-CA 3.46Å; K217-R224 WeakPolarHBondContact CE-O 3.25Å; K217-R224 PolarHBondContact NZ-O 3.47Å; K217-L226 WeakPolarHBondContact CE-O 3.41Å; K217-L226 PolarHBondContact NZ-O 3.22Å; K217-L228 WeakPolarHBondContact CD-O 3.18Å; K217-K229 PolarHBondContact N-O 2.86Å
218	D	83.7	Confident	86	Confident	117 Å²	117	56.6 Å²	56.6	63%	0.626	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-63	-18.2	-168.5	-60.8	-34.6	0	0	0	113.4	S216	S216-D218 VanDerWaalsContact C-N 3.26Å; S216-D218 PolarHBondContact O-N 3.3Å
219	K	82.5	Confident	84.7	Confident	46 Å²	46	65.9 Å²	65.9	20%	0.2	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-84.7	-14.9	180	-63.2	177.3	164.7	-152.4	0	114.1	L86 S88 S137 S216 K217	L86-K219 WeakPolarHBondContact CD2-O 3.34Å; L86-K219 VanDerWaalsContact O-CD 3.26Å; L86-K219 WeakPolarHBondContact O-CD 3.36Å; L86-K219 WeakPolarHBondContact O-CE 3.47Å; L86-K219 PolarHBondContact O-NZ 2.92Å; S88-K219 WeakPolarHBondContact OG-CE 3.07Å; S88-K219 PolarHBondContact OG-NZ 3.26Å; S137-K219 WeakPolarHBondContact OG-CD 3.28Å; S137-K219 WeakPolarHBondContact OG-CE 3.41Å; S137-K219 PolarHBondContact OG-NZ 3.14Å; S216-K219 PolarHBondContact O-N 3.46Å; K217-K219 PolarHBondContact O-N 2.93Å
220	F	85.8	Confident	83.8	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.346	C	S	.	.			trans	-116.5	114.5	-174.5	-53	-80.7	0	0	0	108.7	L86 Y138 L215 S216 K217 E222 A223 R224 L231 I435 Y439	L86-F220 HydrophobicContact CD1-CE1 3.96Å; L86-F220 HydrophobicContact CD2-CD1 3.81Å; L86-F220 HydrophobicContact CD2-CE1 3.69Å; L86-F220 HydrophobicContact CD2-CZ 4.48Å; L86-F220 HydrophobicContact CG-CE1 4.38Å; Y138-F220 HydrophobicContact CE2-CE1 4.16Å; Y138-F220 HydrophobicContact CE2-CZ 4.27Å; L215-F220 HydrophobicContact CB-CE2 3.86Å; L215-F220 HydrophobicContact CB-CZ 4.16Å; L215-F220 HydrophobicContact CD2-CZ 4.05Å; L215-F220 HydrophobicContact CG-CZ 4.47Å; S216-F220 WeakPolarHBondContact O-CD2 3.47Å; S216-F220 WeakPolarHBondContact O-CE2 3.38Å; K217-F220 PolarHBondContact O-N 3.47Å; F220-E222 PolarHBondContact O-N 3.4Å; F220-A223 HydrophobicContact CB-CB 4.18Å; F220-A223 PolarHBondContact O-N 3.47Å; F220-R224 PolarHBondContact O-N 2.96Å; F220-L231 HydrophobicContact CD2-CD1 4.02Å; F220-I435 HydrophobicContact CB-CD1 3.64Å; F220-I435 HydrophobicContact CB-CG1 4.31Å; F220-I435 HydrophobicContact CD1-CD1 4.49Å; F220-I435 HydrophobicContact CD1-CG1 4.39Å; F220-I435 HydrophobicContact CD1-CG2 3.66Å; F220-I435 HydrophobicContact CD2-CD1 4.4Å; F220-I435 HydrophobicContact CD2-CG2 4.01Å; F220-I435 HydrophobicContact CE1-CG2 3.6Å; F220-I435 HydrophobicContact CE2-CG2 4Å; F220-I435 HydrophobicContact CG-CD1 3.94Å; F220-I435 HydrophobicContact CG-CG1 4.33Å; F220-I435 HydrophobicContact CG-CG2 3.86Å; F220-I435 HydrophobicContact CZ-CG2 3.8Å; F220-Y439 AromaticContact CD1-CE2 3.93Å; F220-Y439 HydrophobicContact CD1-CE2 3.93Å; F220-Y439 AromaticContact CD1-CZ 3.86Å; F220-Y439 VanDerWaalsContact CD1-OH 3.26Å; F220-Y439 WeakPolarHBondContact CD1-OH 3.38Å; F220-Y439 HydrophobicContact CE1-CE2 4.27Å
221	E	84.7	Confident	83.3	Confident	128 Å²	128	67.2 Å²	67.2	60%	0.598	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-57.3	-38.9	-176.4	-64.4	-170.6	154.1	0	0	111.9	A223 R224	E221-A223 PolarHBondContact O-N 3.07Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 2.84Å
222	E	83.5	Confident	83.2	Confident	34 Å²	34	66.2 Å²	66.2	16%	0.159	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-62.8	-27.3	178.6	-66.8	83	178.3	0	0	113.3	F220 R421 Y434 Y439	F220-E222 PolarHBondContact O-N 3.4Å; E222-R421 IonicContact OE1-CZ 2.81Å; E222-R421 IonicContact OE1-NE 2.84Å; E222-R421 IonicContact OE1-NH2 3.32Å; E222-R421 PolarHBondContact OE1-NH2 3.31Å; E222-Y434 HydrophobicContact CG-CE1 4.18Å; E222-Y439 VanDerWaalsContact CD-CE1 3.48Å; E222-Y439 HydrophobicContact CG-CE1 4.32Å; E222-Y439 VanDerWaalsContact OE2-CE1 3.23Å; E222-Y439 WeakPolarHBondContact OE2-CE1 3.37Å; E222-Y439 PolarHBondContact OE2-OH 3.03Å
223	A	85	Confident	83.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-92.2	-11.5	-178.5	0	0	0	0	0	113.4	K217 F220 E221 N225 L226 L231 I435	K217-A223 HydrophobicContact CB-CB 4.44Å; K217-A223 WeakPolarHBondContact CD-O 3.36Å; K217-A223 WeakPolarHBondContact CE-O 3.03Å; K217-A223 HydrophobicContact CG-CB 3.83Å; K217-A223 WeakPolarHBondContact CG-O 3.32Å; F220-A223 HydrophobicContact CB-CB 4.18Å; F220-A223 PolarHBondContact O-N 3.47Å; E221-A223 PolarHBondContact O-N 3.07Å; A223-N225 PolarHBondContact O-N 2.86Å; A223-N225 VanDerWaalsContact O-N 3.08Å; A223-L226 HydrophobicContact CB-CD1 4.12Å; A223-L226 WeakPolarHBondContact O-CB 3.3Å; A223-L226 PolarHBondContact O-N 2.76Å; A223-L231 HydrophobicContact CB-CD1 4Å; A223-L231 HydrophobicContact CB-CD2 4.46Å; A223-I435 HydrophobicContact CB-CD1 3.75Å
224	R	82.1	Confident	83.5	Confident	141 Å²	141	60.6 Å²	60.6	53%	0.532	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.3	-172.5	-75.4	-175.9	179.1	165.2	5.9	114.1	K217 F220 E221	K217-R224 VanDerWaalsContact CE-CA 3.46Å; K217-R224 WeakPolarHBondContact CE-O 3.25Å; K217-R224 PolarHBondContact NZ-O 3.47Å; F220-R224 PolarHBondContact O-N 2.96Å; E221-R224 WeakPolarHBondContact O-CB 3.47Å; E221-R224 PolarHBondContact O-N 2.84Å
225	N	80.8	Confident	83.6	Confident	154 Å²	154	60.3 Å²	60.3	82%	0.824	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3	-179	-63.7	-21.1	0	0	0	114	A223	A223-N225 PolarHBondContact O-N 2.86Å; A223-N225 VanDerWaalsContact O-N 3.08Å
226	L	79.5	Confident	83.8	Confident	21 Å²	21	60.2 Å²	60.2	11%	0.11	31%	0.305	C	S	.	.	S	Bend	trans	-84.1	141.9	-177.3	-61.7	175.5	0	0	0	112.6	K217 A223 L228 V428 C431	K217-L226 WeakPolarHBondContact CE-O 3.41Å; K217-L226 PolarHBondContact NZ-O 3.22Å; A223-L226 HydrophobicContact CB-CD1 4.12Å; A223-L226 WeakPolarHBondContact O-CB 3.3Å; A223-L226 PolarHBondContact O-N 2.76Å; L226-L228 PolarHBondContact O-N 2.97Å; L226-V428 HydrophobicContact CD2-CG2 4.43Å; L226-C431 HydrophobicContact CD1-CB 3.51Å; L226-C431 VanDerWaalsContact CD1-SG 3.58Å
227	N	77.9	Confident	84.3	Confident	161 Å²	161	58 Å²	58	86%	0.861	29%	0.29	S	S	*	.	S	Bend	trans	-79.2	46.4	-178.5	-70.4	-23.8	0	0	0	114.2
228	L	74.1	Confident	84.9	Confident	77 Å²	77	56.5 Å²	56.5	40%	0.403	28%	0.284	S	S	.	.			trans	-145.3	140	176	-76.2	173.9	0	0	0	111.7	K217 L226 V428	K217-L228 WeakPolarHBondContact CD-O 3.18Å; L226-L228 PolarHBondContact O-N 2.97Å; L228-V428 HydrophobicContact CD1-CB 4.04Å; L228-V428 HydrophobicContact CD1-CG1 3.19Å; L228-V428 HydrophobicContact CD1-CG2 3.68Å; L228-V428 HydrophobicContact CG-CG2 4.27Å
229	K	67.6	Low	85.5	Confident	194 Å²	194	51 Å²	51	84%	0.843	25%	0.254	S	S	*	.	S	Bend	trans	-77.6	-21.1	177.1	-68.5	-173	177.7	-177.5	0	114	K217	K217-K229 PolarHBondContact N-O 2.86Å
230	A	74	Confident	86.2	Confident	39 Å²	39	48.9 Å²	48.9	32%	0.322	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.4	-167.9	0	0	0	0	0	110.7	I213	I213-A230 HydrophobicContact CD1-CB 3.88Å; I213-A230 HydrophobicContact CG2-CB 3.76Å
231	L	83.5	Confident	86.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.2	-176.7	-63.8	170.3	0	0	0	110.1	I213 L215 F220 A223 S233 I435	I213-L231 WeakPolarHBondContact CG2-O 3.33Å; L215-L231 HydrophobicContact CB-CB 4.37Å; L215-L231 PolarHBondContact O-N 3.1Å; F220-L231 HydrophobicContact CD2-CD1 4.02Å; A223-L231 HydrophobicContact CB-CD1 4Å; A223-L231 HydrophobicContact CB-CD2 4.46Å; L231-S233 PolarHBondContact O-N 2.95Å; L231-I435 HydrophobicContact CD1-CB 4.35Å; L231-I435 HydrophobicContact CD1-CD1 3.45Å; L231-I435 VanDerWaalsContact CD1-CD1 3.45Å; L231-I435 HydrophobicContact CD1-CG1 4.49Å; L231-I435 HydrophobicContact CD1-CG2 4.09Å
232	P	89.7	Confident	87.2	Confident	58 Å²	58	46.1 Å²	46.1	38%	0.377	23%	0.229	S	C	.	.			trans	-45.8	127.3	168.1	-29.7	33.9	0	0	0	112.2	S432	P232-S432 WeakPolarHBondContact CD-OG 3.25Å; P232-S432 PolarHBondContact O-OG 3.1Å
233	S	93.2	Very high	87.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.			trans	-131.3	48.8	-173.5	67.6	0	0	0	0	114.3	H214 L231 L235 Y236 N237 D436	H214-S233 PolarHBondContact N-OG 3.02Å; H214-S233 VanDerWaalsContact N-OG 3.09Å; L231-S233 PolarHBondContact O-N 2.95Å; S233-L235 PolarHBondContact O-N 3.38Å; S233-Y236 PolarHBondContact O-N 3.32Å; S233-N237 PolarHBondContact O-N 3.48Å; S233-N237 PolarHBondContact O-OD1 3.23Å; S233-D436 VanDerWaalsContact C-OD1 3.26Å; S233-D436 VanDerWaalsContact CA-OD1 3.25Å; S233-D436 WeakPolarHBondContact CA-OD1 3.42Å
234	P	95.3	Very high	88.3	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-35.7	-175.4	27.2	-36.1	0	0	0	113.2	N237 Q238 N348 F349 D436	P234-N237 PolarHBondContact O-N 3.06Å; P234-Q238 VanDerWaalsContact O-CG 3.25Å; P234-Q238 WeakPolarHBondContact O-CG 3.42Å; P234-Q238 PolarHBondContact O-N 2.92Å; P234-N348 HydrophobicContact CB-CB 4Å; P234-N348 HydrophobicContact CG-CB 4.28Å; P234-F349 HydrophobicContact CB-CE1 4.01Å; P234-F349 HydrophobicContact CB-CE2 4.27Å; P234-F349 HydrophobicContact CB-CZ 3.59Å; P234-D436 WeakPolarHBondContact CD-OD2 3.15Å
235	L	94.4	Very high	89	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-70.3	-41.5	178	-61.7	173.8	0	0	0	111.8	S233 N237 Q238 S239 F349 S364 D436	S233-L235 PolarHBondContact O-N 3.38Å; L235-N237 VanDerWaalsContact C-N 3.28Å; L235-N237 PolarHBondContact O-N 2.87Å; L235-Q238 PolarHBondContact O-N 3.35Å; L235-S239 WeakPolarHBondContact O-CB 3.19Å; L235-S239 PolarHBondContact O-N 3.16Å; L235-F349 HydrophobicContact CD2-CE1 4.09Å; L235-S364 VanDerWaalsContact CD2-O 3.26Å; L235-S364 WeakPolarHBondContact CD2-O 2.89Å; L235-D436 VanDerWaalsContact CB-OD2 3.23Å; L235-D436 WeakPolarHBondContact CB-OD2 3.39Å; L235-D436 WeakPolarHBondContact CG-OD2 3.37Å; L235-D436 PolarHBondContact N-OD1 3.48Å; L235-D436 PolarHBondContact N-OD2 3.49Å
236	Y	94.9	Very high	89.7	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-45.4	172.4	174.1	-88	0	0	0	111.2	A135 Y138 H141 H214 L215 S233 S239 I240 D436	A135-Y236 VanDerWaalsContact O-CE1 3.26Å; A135-Y236 WeakPolarHBondContact O-CE1 3.38Å; A135-Y236 PolarHBondContact O-OH 3.14Å; Y138-Y236 HydrophobicContact CD1-CD2 4.21Å; Y138-Y236 HydrophobicContact CD1-CE2 4.02Å; Y138-Y236 AromaticContact CE1-CD2 3.96Å; Y138-Y236 HydrophobicContact CE1-CD2 3.96Å; Y138-Y236 HydrophobicContact CE1-CE2 4.25Å; Y138-Y236 HydrophobicContact CG-CE2 4.19Å; Y138-Y236 PolarHBondContact N-OH 3.38Å; H141-Y236 AromaticContact CE1-CD2 3.7Å; H141-Y236 AromaticContact CE1-CE2 3.34Å; H141-Y236 WeakPolarHBondContact CE1-CE2 3.46Å; H141-Y236 AromaticContact ND1-CE2 3.59Å; H214-Y236 HydrophobicContact CB-CD1 3.76Å; H214-Y236 HydrophobicContact CB-CE1 3.45Å; H214-Y236 VanDerWaalsContact CB-CE1 3.45Å; H214-Y236 AromaticContact CG-CE1 3.92Å; L215-Y236 HydrophobicContact CD2-CD2 3.93Å; L215-Y236 HydrophobicContact CD2-CE2 4.14Å; L215-Y236 HydrophobicContact CD2-CG 4.15Å; S233-Y236 PolarHBondContact O-N 3.32Å; Y236-S239 WeakPolarHBondContact O-CB 3.47Å; Y236-S239 PolarHBondContact O-N 2.85Å; Y236-I240 HydrophobicContact CD1-CD1 4.29Å; Y236-I240 HydrophobicContact CE1-CD1 3.51Å; Y236-I240 HydrophobicContact CE2-CD1 4.38Å; Y236-I240 PolarHBondContact O-N 3.2Å; Y236-D436 VanDerWaalsContact CB-OD1 3.31Å; Y236-D436 WeakPolarHBondContact CB-OD1 3.36Å; Y236-D436 PolarHBondContact N-OD1 2.99Å
237	N	96.2	Very high	90.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-47.9	178.2	-69.1	-1.9	0	0	0	111.5	F208 A209 V212 H214 S233 P234 L235 S239 I240 L241	F208-N237 HydrophobicContact CB-CB 4.01Å; F208-N237 WeakPolarHBondContact O-CB 3.49Å; A209-N237 PolarHBondContact O-ND2 2.92Å; V212-N237 PolarHBondContact O-ND2 2.89Å; H214-N237 PolarHBondContact ND1-OD1 3.1Å; S233-N237 PolarHBondContact O-N 3.48Å; S233-N237 PolarHBondContact O-OD1 3.23Å; P234-N237 PolarHBondContact O-N 3.06Å; L235-N237 VanDerWaalsContact C-N 3.28Å; L235-N237 PolarHBondContact O-N 2.87Å; N237-S239 VanDerWaalsContact C-N 3.28Å; N237-S239 PolarHBondContact O-N 2.77Å; N237-I240 PolarHBondContact O-N 2.64Å; N237-I240 VanDerWaalsContact O-N 3.16Å; N237-L241 PolarHBondContact O-N 2.95Å
238	Q	95.6	Very high	91.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-33.8	177.8	-69.1	-61.5	-46.5	0	0	112.4	P234 L235 I240 L241 R242 F349 F359 V360	P234-Q238 VanDerWaalsContact O-CG 3.25Å; P234-Q238 WeakPolarHBondContact O-CG 3.42Å; P234-Q238 PolarHBondContact O-N 2.92Å; L235-Q238 PolarHBondContact O-N 3.35Å; Q238-I240 PolarHBondContact O-N 3.36Å; Q238-L241 PolarHBondContact O-N 2.95Å; Q238-R242 WeakPolarHBondContact O-CB 3.5Å; Q238-R242 VanDerWaalsContact O-CG 3.26Å; Q238-R242 WeakPolarHBondContact O-CG 3.47Å; Q238-R242 PolarHBondContact O-N 3.36Å; Q238-F349 HydrophobicContact CG-CE1 4.23Å; Q238-F349 HydrophobicContact CG-CE2 4.17Å; Q238-F349 HydrophobicContact CG-CZ 3.47Å; Q238-F349 VanDerWaalsContact CG-CZ 3.47Å; Q238-F359 PolarHBondContact NE2-O 3.14Å; Q238-F359 VanDerWaalsContact NE2-O 3.12Å; Q238-V360 VanDerWaalsContact OE1-CA 3.31Å
239	S	95	Very high	92.4	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-56.6	-50	171.3	154.5	0	0	0	0	110.8	H141 K175 L235 Y236 N237	H141-S239 PolarHBondContact NE2-OG 3.42Å; K175-S239 VanDerWaalsContact CE-O 3.29Å; K175-S239 WeakPolarHBondContact CE-O 3.35Å; K175-S239 WeakPolarHBondContact CE-OG 3.31Å; K175-S239 PolarHBondContact NZ-O 3.31Å; L235-S239 WeakPolarHBondContact O-CB 3.19Å; L235-S239 PolarHBondContact O-N 3.16Å; Y236-S239 WeakPolarHBondContact O-CB 3.47Å; Y236-S239 PolarHBondContact O-N 2.85Å; N237-S239 VanDerWaalsContact C-N 3.28Å; N237-S239 PolarHBondContact O-N 2.77Å
240	I	96.5	Very high	93.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.5	-42.1	-179.1	-63.2	176	0	0	0	111.1	Y140 F208 Y236 N237 Q238 R242 D243 L244	Y140-I240 HydrophobicContact CD1-CD1 4.12Å; Y140-I240 HydrophobicContact CD1-CG1 3.7Å; Y140-I240 HydrophobicContact CE1-CG1 4.08Å; Y140-I240 HydrophobicContact CG-CD1 4.12Å; Y140-I240 HydrophobicContact CG-CG1 4.13Å; F208-I240 HydrophobicContact CD1-CB 4.12Å; F208-I240 HydrophobicContact CD1-CD1 4.21Å; F208-I240 HydrophobicContact CD1-CG2 4.23Å; F208-I240 HydrophobicContact CD2-CG2 4.36Å; F208-I240 HydrophobicContact CE1-CB 4.01Å; F208-I240 HydrophobicContact CE1-CD1 3.56Å; F208-I240 HydrophobicContact CE1-CG1 4.37Å; F208-I240 HydrophobicContact CE1-CG2 3.8Å; F208-I240 HydrophobicContact CE2-CG2 3.92Å; F208-I240 HydrophobicContact CZ-CB 4.35Å; F208-I240 HydrophobicContact CZ-CD1 4.22Å; F208-I240 HydrophobicContact CZ-CG2 3.62Å; Y236-I240 HydrophobicContact CD1-CD1 4.29Å; Y236-I240 HydrophobicContact CE1-CD1 3.51Å; Y236-I240 HydrophobicContact CE2-CD1 4.38Å; Y236-I240 PolarHBondContact O-N 3.2Å; N237-I240 PolarHBondContact O-N 2.64Å; N237-I240 VanDerWaalsContact O-N 3.16Å; Q238-I240 PolarHBondContact O-N 3.36Å; I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 PolarHBondContact O-N 3.35Å; I240-D243 WeakPolarHBondContact O-CB 3.46Å; I240-D243 PolarHBondContact O-N 3.45Å; I240-L244 HydrophobicContact CG2-CD1 3.84Å; I240-L244 HydrophobicContact CG2-CG 4.13Å; I240-L244 PolarHBondContact O-N 3.36Å; I240-L244 VanDerWaalsContact O-N 3.11Å
241	L	96.3	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59	-42.1	-179.2	-78.7	169.9	0	0	0	113.1	L205 F208 N237 Q238 D243 L244 T245 F359 V360	L205-L241 HydrophobicContact CB-CD2 4Å; L205-L241 HydrophobicContact CD2-CD2 3.88Å; L205-L241 HydrophobicContact CG-CD2 4.49Å; F208-L241 HydrophobicContact CB-CD1 3.65Å; F208-L241 HydrophobicContact CB-CD2 3.81Å; F208-L241 HydrophobicContact CB-CG 3.43Å; F208-L241 VanDerWaalsContact CB-CG 3.43Å; F208-L241 HydrophobicContact CD2-CD2 4.17Å; F208-L241 HydrophobicContact CD2-CG 4.43Å; F208-L241 HydrophobicContact CG-CD2 4.4Å; F208-L241 HydrophobicContact CG-CG 4.2Å; F208-L241 WeakPolarHBondContact O-CD1 3.38Å; N237-L241 PolarHBondContact O-N 2.95Å; Q238-L241 PolarHBondContact O-N 2.95Å; L241-D243 PolarHBondContact O-N 3.16Å; L241-D243 VanDerWaalsContact O-N 3.11Å; L241-L244 PolarHBondContact O-N 3.25Å; L241-L244 VanDerWaalsContact O-N 3.12Å; L241-T245 PolarHBondContact O-N 3.43Å; L241-T245 PolarHBondContact O-OG1 3.44Å; L241-T245 VanDerWaalsContact O-OG1 3.04Å; L241-F359 HydrophobicContact CD1-CB 4.19Å; L241-F359 WeakPolarHBondContact CD1-O 3.33Å; L241-F359 HydrophobicContact CD2-CB 4.08Å; L241-V360 HydrophobicContact CB-CG2 3.64Å
242	R	95.3	Very high	95.4	Very high	71 Å²	71	20.8 Å²	20.8	27%	0.268	11%	0.109	S	C	.	.	H	α-helix	trans	-57.2	-26.8	176.2	-75.4	172.8	178.8	179.8	1.2	113.5	Q238 I240 L246 V360 S364 D365	Q238-R242 WeakPolarHBondContact O-CB 3.5Å; Q238-R242 VanDerWaalsContact O-CG 3.26Å; Q238-R242 WeakPolarHBondContact O-CG 3.47Å; Q238-R242 PolarHBondContact O-N 3.36Å; I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 PolarHBondContact O-N 3.35Å; R242-L246 PolarHBondContact O-N 3.34Å; R242-V360 HydrophobicContact CG-CG1 3.81Å; R242-V360 HydrophobicContact CG-CG2 4.48Å; R242-S364 PolarHBondContact NH2-OG 2.89Å; R242-D365 IonicContact CZ-OD2 3.21Å; R242-D365 IonicContact NH1-OD2 2.72Å; R242-D365 PolarHBondContact NH1-OD2 3.18Å; R242-D365 IonicContact NH2-OD2 3.57Å; R242-D365 PolarHBondContact NH2-OD2 3.48Å
243	D	96.6	Very high	95.6	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.011	9%	0.092	C	C	.	.	H	α-helix	trans	-82.1	-45.6	176	-71.8	-2.7	0	0	0	111.1	Y140 R169 K175 F197 I240 L241 T245 L246	Y140-D243 WeakPolarHBondContact CE1-OD2 3.18Å; Y140-D243 WeakPolarHBondContact OH-CB 3.12Å; Y140-D243 VanDerWaalsContact OH-CG 3.31Å; Y140-D243 PolarHBondContact OH-OD2 3.47Å; R169-D243 IonicContact CZ-OD1 2.81Å; R169-D243 IonicContact NH1-OD1 2.66Å; R169-D243 IonicContact NH2-OD1 3.87Å; R169-D243 PolarHBondContact NH2-OD1 3.19Å; R169-D243 IonicContact NH2-OD2 3.9Å; K175-D243 IonicContact NZ-OD1 3.66Å; K175-D243 PolarHBondContact NZ-OD1 2.95Å; K175-D243 IonicContact NZ-OD2 2.62Å; K175-D243 PolarHBondContact NZ-OD2 3.44Å; F197-D243 HydrophobicContact CB-CB 4.03Å; F197-D243 WeakPolarHBondContact CD2-O 3.43Å; I240-D243 WeakPolarHBondContact O-CB 3.46Å; I240-D243 PolarHBondContact O-N 3.45Å; L241-D243 PolarHBondContact O-N 3.16Å; L241-D243 VanDerWaalsContact O-N 3.11Å; D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.23Å; D243-L246 VanDerWaalsContact O-CB 3.23Å; D243-L246 WeakPolarHBondContact O-CB 3.34Å; D243-L246 PolarHBondContact O-N 2.76Å
244	L	96.8	Very high	95.8	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-65.7	-30.3	179.8	-63.1	176.7	0	0	0	112.8	A198 P200 F203 L205 F208 I240 L241	A198-L244 HydrophobicContact CB-CD2 4.15Å; P200-L244 WeakPolarHBondContact CB-O 3.48Å; F203-L244 HydrophobicContact CB-CD1 4.15Å; F203-L244 HydrophobicContact CD2-CD1 4.3Å; F203-L244 HydrophobicContact CD2-CD2 4.44Å; L205-L244 HydrophobicContact CD2-CB 3.68Å; L205-L244 HydrophobicContact CD2-CD1 3.99Å; F208-L244 HydrophobicContact CD2-CD1 4.05Å; F208-L244 HydrophobicContact CE2-CD1 3.68Å; I240-L244 HydrophobicContact CG2-CD1 3.84Å; I240-L244 HydrophobicContact CG2-CG 4.13Å; I240-L244 PolarHBondContact O-N 3.36Å; I240-L244 VanDerWaalsContact O-N 3.11Å; L241-L244 PolarHBondContact O-N 3.25Å; L241-L244 VanDerWaalsContact O-N 3.12Å
245	T	95.9	Very high	95.8	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.6	179.2	70	0	0	0	0	113.5	L205 L241 D243 L247 S248 T249 T357 V360	L205-T245 HydrophobicContact CD1-CG2 3.95Å; L205-T245 HydrophobicContact CD2-CG2 4.05Å; L241-T245 PolarHBondContact O-N 3.43Å; L241-T245 PolarHBondContact O-OG1 3.44Å; L241-T245 VanDerWaalsContact O-OG1 3.04Å; D243-T245 VanDerWaalsContact C-N 3.28Å; D243-T245 PolarHBondContact O-N 3.23Å; T245-L247 PolarHBondContact O-N 2.73Å; T245-S248 PolarHBondContact O-N 3.02Å; T245-T249 WeakPolarHBondContact O-CB 3.36Å; T245-T249 PolarHBondContact O-N 3Å; T245-T249 PolarHBondContact O-OG1 3.41Å; T245-T357 HydrophobicContact CG2-CG2 3.9Å; T245-V360 HydrophobicContact CG2-CG2 4.25Å; T245-V360 WeakPolarHBondContact OG1-CG2 3.5Å
246	L	96	Very high	95.8	Very high	27 Å²	27	29.2 Å²	29.2	14%	0.141	15%	0.149	C	C	.	.	H	α-helix	trans	-55	-48.1	-177.3	177.3	66.1	0	0	0	112.4	V104 A122 F195 F197 R242 D243 T249 R250	V104-L246 HydrophobicContact CG1-CD2 4.23Å; V104-L246 HydrophobicContact CG1-CG 4.3Å; V104-L246 HydrophobicContact CG2-CD2 4.49Å; A122-L246 HydrophobicContact CB-CD2 3.67Å; F195-L246 HydrophobicContact CE2-CD2 3.78Å; F195-L246 HydrophobicContact CZ-CD2 3.91Å; F197-L246 HydrophobicContact CD1-CD2 4.18Å; F197-L246 HydrophobicContact CD2-CD2 4.33Å; F197-L246 HydrophobicContact CE1-CD2 4.28Å; F197-L246 HydrophobicContact CE2-CD2 4.44Å; F197-L246 HydrophobicContact CG-CD2 4.21Å; F197-L246 HydrophobicContact CZ-CD2 4.42Å; R242-L246 PolarHBondContact O-N 3.34Å; D243-L246 VanDerWaalsContact O-CB 3.23Å; D243-L246 WeakPolarHBondContact O-CB 3.34Å; D243-L246 PolarHBondContact O-N 2.76Å; L246-T249 PolarHBondContact O-N 3.17Å; L246-R250 PolarHBondContact O-N 3.09Å
247	L	96.7	Very high	95.8	Very high	19 Å²	19	31 Å²	31	10%	0.099	16%	0.16	C	C	.	.	H	α-helix	trans	-70.6	-41.5	-178.1	-57.1	-175.1	0	0	0	111.5	H102 V104 F197 P200 T245 T249 R250 D251	H102-L247 HydrophobicContact CB-CD2 4.03Å; V104-L247 HydrophobicContact CG1-CD2 4.46Å; F197-L247 HydrophobicContact CE2-CD1 4.46Å; F197-L247 HydrophobicContact CE2-CG 4.26Å; F197-L247 HydrophobicContact CZ-CD1 4.23Å; F197-L247 HydrophobicContact CZ-CD2 4.13Å; F197-L247 HydrophobicContact CZ-CG 4.16Å; P200-L247 HydrophobicContact CG-CD1 4.2Å; T245-L247 PolarHBondContact O-N 2.73Å; L247-T249 VanDerWaalsContact C-N 3.28Å; L247-T249 PolarHBondContact O-N 2.86Å; L247-R250 WeakPolarHBondContact O-CB 3.47Å; L247-R250 PolarHBondContact O-N 3.43Å; L247-D251 WeakPolarHBondContact O-CB 3.33Å; L247-D251 PolarHBondContact O-N 3.34Å
248	S	95.3	Very high	95.5	Very high	57 Å²	57	37.3 Å²	37.3	40%	0.399	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-40.3	174.4	-52.3	0	0	0	0	111.9	T245 Y252	T245-S248 PolarHBondContact O-N 3.02Å; S248-Y252 VanDerWaalsContact O-CB 3.31Å; S248-Y252 WeakPolarHBondContact O-CB 3.2Å; S248-Y252 PolarHBondContact O-N 3.49Å
249	T	95.1	Very high	95.3	Very high	20 Å²	20	42 Å²	42	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-46.9	174.6	-62.2	0	0	0	0	111.1	T245 L246 L247 L253 T286 M290	T245-T249 WeakPolarHBondContact O-CB 3.36Å; T245-T249 PolarHBondContact O-N 3Å; T245-T249 PolarHBondContact O-OG1 3.41Å; L246-T249 PolarHBondContact O-N 3.17Å; L247-T249 VanDerWaalsContact C-N 3.28Å; L247-T249 PolarHBondContact O-N 2.86Å; T249-L253 HydrophobicContact CG2-CD1 4.21Å; T249-L253 WeakPolarHBondContact O-CG 3.47Å; T249-L253 PolarHBondContact O-N 2.67Å; T249-T286 HydrophobicContact CG2-CG2 3.82Å; T249-M290 HydrophobicContact CG2-CE 3.7Å
250	R	95.2	Very high	95.3	Very high	50 Å²	50	42.1 Å²	42.1	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-53.2	176	177.3	-160.7	67.8	-164.5	-3.6	111.1	H102 L246 L247 Y252 L253 L254	H102-R250 PolarHBondContact ND1-NH1 3.2Å; L246-R250 PolarHBondContact O-N 3.09Å; L247-R250 WeakPolarHBondContact O-CB 3.47Å; L247-R250 PolarHBondContact O-N 3.43Å; R250-Y252 VanDerWaalsContact C-N 3.28Å; R250-Y252 PolarHBondContact O-N 2.85Å; R250-L253 PolarHBondContact O-N 2.74Å; R250-L253 VanDerWaalsContact O-N 3.1Å; R250-L254 HydrophobicContact CG-CD1 4.01Å; R250-L254 HydrophobicContact CG-CG 4.46Å; R250-L254 WeakPolarHBondContact O-CG 3.18Å; R250-L254 PolarHBondContact O-N 2.95Å
251	D	96.7	Very high	95.2	Very high	77 Å²	77	43.7 Å²	43.7	41%	0.412	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-38.2	-174.2	-64.1	-14.8	0	0	0	111	L247	L247-D251 WeakPolarHBondContact O-CB 3.33Å; L247-D251 PolarHBondContact O-N 3.34Å
252	Y	95.9	Very high	95.2	Very high	34 Å²	34	44.4 Å²	44.4	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-46.6	172.1	179.8	-88.7	0	0	0	112.5	S248 R250 L254 L255 M290 S293 K297 I330 P356	S248-Y252 VanDerWaalsContact O-CB 3.31Å; S248-Y252 WeakPolarHBondContact O-CB 3.2Å; S248-Y252 PolarHBondContact O-N 3.49Å; R250-Y252 VanDerWaalsContact C-N 3.28Å; R250-Y252 PolarHBondContact O-N 2.85Å; Y252-L254 VanDerWaalsContact C-N 3.32Å; Y252-L254 PolarHBondContact O-N 2.84Å; Y252-L255 WeakPolarHBondContact O-CB 3.47Å; Y252-L255 PolarHBondContact O-N 3.43Å; Y252-M290 HydrophobicContact CD1-CE 3.73Å; Y252-M290 HydrophobicContact CD1-SD 3.71Å; Y252-M290 HydrophobicContact CE1-CE 4.29Å; Y252-M290 HydrophobicContact CE1-SD 3.65Å; Y252-S293 WeakPolarHBondContact CE1-OG 3.29Å; Y252-S293 PolarHBondContact OH-OG 3.16Å; Y252-K297 WeakPolarHBondContact OH-CE 3.49Å; Y252-K297 PolarHBondContact OH-NZ 3.04Å; Y252-I330 HydrophobicContact CE1-CG2 4.18Å; Y252-I330 HydrophobicContact CE2-CG2 3.83Å; Y252-I330 VanDerWaalsContact CZ-CG2 3.49Å; Y252-I330 VanDerWaalsContact OH-CG2 3.24Å; Y252-I330 WeakPolarHBondContact OH-CG2 2.94Å; Y252-P356 HydrophobicContact CD1-CG 3.63Å; Y252-P356 HydrophobicContact CD2-CB 3.76Å; Y252-P356 HydrophobicContact CD2-CG 3.51Å; Y252-P356 HydrophobicContact CE1-CG 4Å; Y252-P356 HydrophobicContact CE2-CB 4.15Å; Y252-P356 HydrophobicContact CE2-CG 3.86Å; Y252-P356 HydrophobicContact CG-CB 4.08Å; Y252-P356 HydrophobicContact CG-CG 3.39Å
253	L	95.7	Very high	95.3	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-25.7	-177.5	-70.2	-179.8	0	0	0	113.3	L109 T249 R250 L255 L256 T286 M290	L109-L253 HydrophobicContact CD1-CB 3.89Å; L109-L253 HydrophobicContact CD1-CD1 4.05Å; L109-L253 HydrophobicContact CD2-CB 3.86Å; L109-L253 WeakPolarHBondContact CD2-O 3.37Å; T249-L253 HydrophobicContact CG2-CD1 4.21Å; T249-L253 WeakPolarHBondContact O-CG 3.47Å; T249-L253 PolarHBondContact O-N 2.67Å; R250-L253 PolarHBondContact O-N 2.74Å; R250-L253 VanDerWaalsContact O-N 3.1Å; L253-L255 PolarHBondContact O-N 3.32Å; L253-L256 HydrophobicContact CD2-CD1 4.01Å; L253-L256 WeakPolarHBondContact O-CB 3.35Å; L253-L256 WeakPolarHBondContact O-CG 3.42Å; L253-L256 PolarHBondContact O-N 3.5Å; L253-L256 VanDerWaalsContact O-N 3.12Å; L253-T286 HydrophobicContact CD1-CG2 4.43Å; L253-M290 HydrophobicContact CD1-CE 4.27Å; L253-M290 HydrophobicContact CD2-CE 3.84Å; L253-M290 HydrophobicContact CD2-CG 4.06Å; L253-M290 HydrophobicContact CD2-SD 3.73Å; L253-M290 HydrophobicContact CG-CE 3.86Å; L253-M290 HydrophobicContact CG-SD 4.42Å
254	L	96.2	Very high	95.4	Very high	89 Å²	89	41 Å²	41	47%	0.466	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.1	173.1	-76.5	167.4	0	0	0	113	L109 R250 Y252 L256	L109-L254 HydrophobicContact CD2-CD2 3.83Å; L109-L254 HydrophobicContact CD2-CG 4Å; R250-L254 HydrophobicContact CG-CD1 4.01Å; R250-L254 HydrophobicContact CG-CG 4.46Å; R250-L254 WeakPolarHBondContact O-CG 3.18Å; R250-L254 PolarHBondContact O-N 2.95Å; Y252-L254 VanDerWaalsContact C-N 3.32Å; Y252-L254 PolarHBondContact O-N 2.84Å; L254-L256 VanDerWaalsContact C-N 3.3Å
255	L	95.2	Very high	95.4	Very high	139 Å²	139	41 Å²	41	73%	0.728	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-0.7	175.4	-56.7	173.6	0	0	0	113.4	Y252 L253	Y252-L255 WeakPolarHBondContact O-CB 3.47Å; Y252-L255 PolarHBondContact O-N 3.43Å; L253-L255 PolarHBondContact O-N 3.32Å
256	L	94.2	Very high	95.4	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.084	21%	0.21	C	C	.	.	S	Bend	trans	-65.1	128.7	177.8	-83	172.1	0	0	0	111.1	L253 L254 C260 I261	L253-L256 HydrophobicContact CD2-CD1 4.01Å; L253-L256 WeakPolarHBondContact O-CB 3.35Å; L253-L256 WeakPolarHBondContact O-CG 3.42Å; L253-L256 PolarHBondContact O-N 3.5Å; L253-L256 VanDerWaalsContact O-N 3.12Å; L254-L256 VanDerWaalsContact C-N 3.3Å; L256-C260 HydrophobicContact CD2-CB 4.27Å; L256-I261 HydrophobicContact CB-CG1 4.4Å
257	P	94.6	Very high	95.5	Very high	38 Å²	38	39.7 Å²	39.7	25%	0.247	20%	0.204	C	C	.	.			trans	-60.1	148.8	175	-24.2	34	0	0	0	112.5	K259 C260 I261 L296	P257-K259 VanDerWaalsContact C-N 3.31Å; P257-K259 PolarHBondContact O-N 2.7Å; P257-C260 WeakPolarHBondContact O-CA 3.41Å; P257-C260 VanDerWaalsContact O-CB 3.31Å; P257-C260 WeakPolarHBondContact O-CB 3.03Å; P257-C260 PolarHBondContact O-N 3.3Å; P257-I261 PolarHBondContact O-N 2.92Å; P257-I261 VanDerWaalsContact O-N 3.12Å; P257-L296 HydrophobicContact CG-CD2 3.93Å
258	E	91.5	Very high	95.5	Very high	133 Å²	133	39.7 Å²	39.7	62%	0.621	20%	0.203	S	C	*	.	H	α-helix	trans	-55.8	-41.7	-175.8	-172.2	-177.6	175.3	0	0	113.3	R28 C260 I261 C262	R28-E258 IonicContact NH1-OE1 2.68Å; E258-C260 VanDerWaalsContact C-N 3.25Å; E258-C260 PolarHBondContact O-N 3.44Å; E258-I261 VanDerWaalsContact O-CB 3.3Å; E258-I261 WeakPolarHBondContact O-CB 3.49Å; E258-I261 PolarHBondContact O-N 3.18Å; E258-C262 PolarHBondContact O-N 3.37Å
259	K	90.8	Very high	95.6	Very high	98 Å²	98	37.4 Å²	37.4	43%	0.426	19%	0.187	S	C	.	.	H	α-helix	trans	-60.3	-35.7	175.5	-73.2	-172.5	177.1	-172.6	0	112.5	P257 I261 C262 V263 E303	P257-K259 VanDerWaalsContact C-N 3.31Å; P257-K259 PolarHBondContact O-N 2.7Å; K259-I261 VanDerWaalsContact C-N 3.35Å; K259-C262 WeakPolarHBondContact O-CB 3.45Å; K259-C262 PolarHBondContact O-N 2.95Å; K259-V263 WeakPolarHBondContact O-CG2 3.3Å; K259-V263 PolarHBondContact O-N 3.32Å; K259-E303 WeakPolarHBondContact CD-O 3.11Å; K259-E303 PolarHBondContact NZ-O 3.18Å
260	C	94.6	Very high	95.7	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.034	18%	0.181	C	C	.	.	H	α-helix	trans	-70.3	-32.8	175.8	-70	0	0	0	0	111.8	L256 P257 E258 C262 V263 V264 V292	L256-C260 HydrophobicContact CD2-CB 4.27Å; P257-C260 WeakPolarHBondContact O-CA 3.41Å; P257-C260 VanDerWaalsContact O-CB 3.31Å; P257-C260 WeakPolarHBondContact O-CB 3.03Å; P257-C260 PolarHBondContact O-N 3.3Å; E258-C260 VanDerWaalsContact C-N 3.25Å; E258-C260 PolarHBondContact O-N 3.44Å; C260-C262 VanDerWaalsContact C-N 3.28Å; C260-C262 PolarHBondContact O-N 3.12Å; C260-V263 PolarHBondContact O-N 3.46Å; C260-V264 VanDerWaalsContact O-CG2 3.28Å; C260-V264 WeakPolarHBondContact O-CG2 3.17Å; C260-V264 PolarHBondContact O-N 3.07Å; C260-V292 HydrophobicContact CB-CG1 3.9Å
261	I	95.5	Very high	95.8	Very high	34 Å²	34	34 Å²	34	17%	0.174	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-43.1	171.7	-61.9	175.2	0	0	0	109.9	L111 L256 P257 E258 K259 V263 V264 L265	L111-I261 HydrophobicContact CD2-CB 4.46Å; L111-I261 HydrophobicContact CD2-CG2 3.67Å; L111-I261 HydrophobicContact CG-CG2 4.42Å; L256-I261 HydrophobicContact CB-CG1 4.4Å; P257-I261 PolarHBondContact O-N 2.92Å; P257-I261 VanDerWaalsContact O-N 3.12Å; E258-I261 VanDerWaalsContact O-CB 3.3Å; E258-I261 WeakPolarHBondContact O-CB 3.49Å; E258-I261 PolarHBondContact O-N 3.18Å; K259-I261 VanDerWaalsContact C-N 3.35Å; I261-V263 PolarHBondContact O-N 3.06Å; I261-V264 PolarHBondContact O-N 3.42Å; I261-L265 HydrophobicContact CG2-CD1 4.44Å; I261-L265 WeakPolarHBondContact O-CG 3.42Å; I261-L265 PolarHBondContact O-N 2.85Å
262	C	95.7	Very high	95.7	Very high	15 Å²	15	32 Å²	32	10%	0.101	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-43.4	174.2	-62.2	0	0	0	0	112.7	L24 R28 E258 K259 C260 V264 L265 L266 V307	L24-C262 HydrophobicContact CD1-CB 3.86Å; L24-C262 HydrophobicContact CD2-CB 4.38Å; R28-C262 PolarHBondContact NH2-SG 3.13Å; E258-C262 PolarHBondContact O-N 3.37Å; K259-C262 WeakPolarHBondContact O-CB 3.45Å; K259-C262 PolarHBondContact O-N 2.95Å; C260-C262 VanDerWaalsContact C-N 3.28Å; C260-C262 PolarHBondContact O-N 3.12Å; C262-V264 VanDerWaalsContact C-N 3.34Å; C262-V264 PolarHBondContact O-N 2.68Å; C262-L265 WeakPolarHBondContact O-CB 3.36Å; C262-L265 PolarHBondContact O-N 3.06Å; C262-L266 PolarHBondContact O-N 3.04Å; C262-V307 HydrophobicContact CB-CG1 3.71Å; C262-V307 HydrophobicContact CB-CG2 3.95Å
263	V	97.2	Very high	95.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-40.7	177.2	178.7	0	0	0	0	111.1	K259 C260 I261 L266 L267 V292 V307 N310 V314	K259-V263 WeakPolarHBondContact O-CG2 3.3Å; K259-V263 PolarHBondContact O-N 3.32Å; C260-V263 PolarHBondContact O-N 3.46Å; I261-V263 PolarHBondContact O-N 3.06Å; V263-L266 PolarHBondContact O-N 2.73Å; V263-L267 WeakPolarHBondContact O-CB 3.39Å; V263-L267 PolarHBondContact O-N 2.85Å; V263-V292 HydrophobicContact CG1-CG2 4.24Å; V263-V307 HydrophobicContact CG2-CG1 4.01Å; V263-N310 HydrophobicContact CG1-CB 4.48Å; V263-N310 HydrophobicContact CG2-CB 3.63Å; V263-V314 HydrophobicContact CG1-CG2 3.79Å
264	V	97.7	Very high	95.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-41.6	175.2	178	0	0	0	0	110.9	L111 C260 I261 C262 L266 L267 R268 A288 V292	L111-V264 HydrophobicContact CD1-CG1 3.93Å; L111-V264 HydrophobicContact CD2-CB 3.74Å; L111-V264 HydrophobicContact CD2-CG1 3.58Å; L111-V264 HydrophobicContact CG-CG1 4.37Å; C260-V264 VanDerWaalsContact O-CG2 3.28Å; C260-V264 WeakPolarHBondContact O-CG2 3.17Å; C260-V264 PolarHBondContact O-N 3.07Å; I261-V264 PolarHBondContact O-N 3.42Å; C262-V264 VanDerWaalsContact C-N 3.34Å; C262-V264 PolarHBondContact O-N 2.68Å; V264-L266 PolarHBondContact O-N 2.75Å; V264-L267 PolarHBondContact O-N 3.04Å; V264-R268 HydrophobicContact CG1-CG 4.18Å; V264-R268 WeakPolarHBondContact O-CB 3.3Å; V264-R268 VanDerWaalsContact O-CG 3.26Å; V264-R268 WeakPolarHBondContact O-CG 3.41Å; V264-R268 PolarHBondContact O-N 2.86Å; V264-A288 HydrophobicContact CG1-CB 4.24Å; V264-V292 HydrophobicContact CG2-CB 3.79Å; V264-V292 HydrophobicContact CG2-CG1 3.97Å; V264-V292 HydrophobicContact CG2-CG2 3.76Å
265	L	97	Very high	95.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-45.9	175.8	-77.6	169.6	0	0	0	111.6	L24 I27 L111 I113 I261 C262 R268 A269	L24-L265 HydrophobicContact CD2-CB 3.58Å; L24-L265 HydrophobicContact CD2-CD1 3.85Å; L24-L265 HydrophobicContact CD2-CG 4.37Å; I27-L265 HydrophobicContact CG2-CD2 4.49Å; L111-L265 HydrophobicContact CD2-CD2 4.33Å; L111-L265 HydrophobicContact CD2-CG 4.07Å; I113-L265 HydrophobicContact CG2-CD2 3.76Å; I261-L265 HydrophobicContact CG2-CD1 4.44Å; I261-L265 WeakPolarHBondContact O-CG 3.42Å; I261-L265 PolarHBondContact O-N 2.85Å; C262-L265 WeakPolarHBondContact O-CB 3.36Å; C262-L265 PolarHBondContact O-N 3.06Å; L265-R268 PolarHBondContact O-N 3.18Å; L265-A269 WeakPolarHBondContact O-CB 3.32Å; L265-A269 PolarHBondContact O-N 3.34Å
266	L	97.3	Very high	95.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-47.6	175.1	-67.6	-176.9	0	0	0	111.6	A20 L23 L24 C262 V263 V264 R268 A269 W270 V307 F311 F398	A20-L266 HydrophobicContact CB-CD1 4.13Å; A20-L266 HydrophobicContact CB-CD2 4.31Å; L23-L266 HydrophobicContact CD2-CD2 3.99Å; L24-L266 HydrophobicContact CD2-CD2 4.19Å; L24-L266 HydrophobicContact CD2-CG 4.31Å; L24-L266 HydrophobicContact CG-CD2 4.15Å; C262-L266 PolarHBondContact O-N 3.04Å; V263-L266 PolarHBondContact O-N 2.73Å; V264-L266 PolarHBondContact O-N 2.75Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 2.93Å; L266-A269 PolarHBondContact O-N 2.91Å; L266-W270 VanDerWaalsContact O-CB 3.31Å; L266-W270 WeakPolarHBondContact O-CB 3.22Å; L266-W270 PolarHBondContact O-N 2.74Å; L266-V307 HydrophobicContact CD1-CG1 3.69Å; L266-V307 HydrophobicContact CG-CG1 4.49Å; L266-F311 HydrophobicContact CB-CD2 3.69Å; L266-F311 HydrophobicContact CB-CE2 4.06Å; L266-F311 HydrophobicContact CB-CG 4.25Å; L266-F311 HydrophobicContact CD1-CB 4.07Å; L266-F311 HydrophobicContact CD1-CD2 4.48Å; L266-F311 HydrophobicContact CD1-CG 4.22Å; L266-F398 HydrophobicContact CB-CE1 4.19Å; L266-F398 HydrophobicContact CD2-CE1 4.25Å; L266-F398 HydrophobicContact CD2-CZ 4.35Å; L266-F398 WeakPolarHBondContact O-CE1 3.42Å
267	L	98.1	Very high	95.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-56.6	-42	176.8	178.8	62.4	0	0	0	111.6	V263 V264 W270 L271 A288 V292 V314 I318	V263-L267 WeakPolarHBondContact O-CB 3.39Å; V263-L267 PolarHBondContact O-N 2.85Å; V264-L267 PolarHBondContact O-N 3.04Å; L267-W270 HydrophobicContact CD1-CE3 3.83Å; L267-W270 HydrophobicContact CD1-CZ3 4.13Å; L267-W270 PolarHBondContact O-N 3.48Å; L267-L271 HydrophobicContact CD1-CD1 4.34Å; L267-L271 HydrophobicContact CD1-CG 4.35Å; L267-L271 HydrophobicContact CG-CD1 4.12Å; L267-L271 WeakPolarHBondContact O-CB 3.12Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.25Å; L267-L271 PolarHBondContact O-N 2.96Å; L267-A288 HydrophobicContact CD2-CB 3.79Å; L267-A288 HydrophobicContact CG-CB 4.37Å; L267-V292 HydrophobicContact CD2-CG2 4.34Å; L267-V314 HydrophobicContact CD1-CG1 4.02Å; L267-V314 HydrophobicContact CD2-CG1 4Å; L267-I318 HydrophobicContact CD1-CD1 4.11Å
268	R	96.6	Very high	94.7	Very high	19 Å²	19	28 Å²	28	7%	0.072	13%	0.127	C	C	.	.	H	α-helix	trans	-67.9	-45.3	178	-73.9	-170	68.3	-173.5	1.2	112.5	L111 I113 V264 L265 L266 W270 L271 R272 C285 A288	L111-R268 PolarHBondContact O-NH1 3.48Å; I113-R268 HydrophobicContact CD1-CB 4.14Å; I113-R268 HydrophobicContact CG2-CB 4.14Å; V264-R268 HydrophobicContact CG1-CG 4.18Å; V264-R268 WeakPolarHBondContact O-CB 3.3Å; V264-R268 VanDerWaalsContact O-CG 3.26Å; V264-R268 WeakPolarHBondContact O-CG 3.41Å; V264-R268 PolarHBondContact O-N 2.86Å; L265-R268 PolarHBondContact O-N 3.18Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 2.93Å; R268-W270 VanDerWaalsContact C-N 3.26Å; R268-W270 PolarHBondContact O-N 3.49Å; R268-L271 PolarHBondContact O-N 3.25Å; R268-R272 VanDerWaalsContact O-CB 3.3Å; R268-R272 WeakPolarHBondContact O-CB 3.36Å; R268-R272 PolarHBondContact O-N 3.12Å; R268-C285 PolarHBondContact NH1-SG 2.88Å; R268-C285 VanDerWaalsContact NH1-SG 3.36Å; R268-A288 HydrophobicContact CG-CB 4.23Å
269	A	96	Very high	94.2	Very high	8 Å²	8	22.2 Å²	22.2	7%	0.066	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-41.3	176.3	0	0	0	0	0	111.1	I27 L265 L266 R272 C273 F398	I27-A269 HydrophobicContact CD1-CB 4.35Å; L265-A269 WeakPolarHBondContact O-CB 3.32Å; L265-A269 PolarHBondContact O-N 3.34Å; L266-A269 PolarHBondContact O-N 2.91Å; A269-R272 WeakPolarHBondContact O-CB 3.38Å; A269-R272 PolarHBondContact O-N 3.46Å; A269-C273 PolarHBondContact O-N 3.48Å; A269-C273 PolarHBondContact O-SG 2.83Å; A269-F398 HydrophobicContact CB-CD1 4.07Å
270	W	97.7	Very high	93.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-47.5	175.7	175.8	82.7	0	0	0	112.9	L266 L267 R268 R272 C273 R274 F311 L315 I318 V374 E377 A378 S381 F398	L266-W270 VanDerWaalsContact O-CB 3.31Å; L266-W270 WeakPolarHBondContact O-CB 3.22Å; L266-W270 PolarHBondContact O-N 2.74Å; L267-W270 HydrophobicContact CD1-CE3 3.83Å; L267-W270 HydrophobicContact CD1-CZ3 4.13Å; L267-W270 PolarHBondContact O-N 3.48Å; R268-W270 VanDerWaalsContact C-N 3.26Å; R268-W270 PolarHBondContact O-N 3.49Å; W270-R272 VanDerWaalsContact C-N 3.3Å; W270-R272 PolarHBondContact O-N 3.31Å; W270-C273 PolarHBondContact O-N 3.04Å; W270-R274 VanDerWaalsContact CD1-CZ 3.45Å; W270-R274 PolarHBondContact O-NH1 3.48Å; W270-F311 HydrophobicContact CB-CE2 4.19Å; W270-F311 HydrophobicContact CB-CZ 4.08Å; W270-F311 HydrophobicContact CG-CE2 4.45Å; W270-F311 HydrophobicContact CG-CZ 4.05Å; W270-L315 HydrophobicContact CD2-CD2 4.04Å; W270-L315 HydrophobicContact CE3-CD2 4.14Å; W270-L315 HydrophobicContact CH2-CD2 3.92Å; W270-L315 HydrophobicContact CZ2-CD2 3.79Å; W270-L315 HydrophobicContact CZ3-CD2 4.08Å; W270-I318 HydrophobicContact CZ3-CD1 4.44Å; W270-V374 HydrophobicContact CH2-CG1 4.12Å; W270-V374 HydrophobicContact CZ3-CG1 4.11Å; W270-E377 HydrophobicContact CH2-CB 3.98Å; W270-E377 HydrophobicContact CZ2-CB 3.7Å; W270-A378 HydrophobicContact CH2-CB 4.01Å; W270-A378 HydrophobicContact CZ2-CB 4.19Å; W270-S381 PolarHBondContact NE1-OG 2.82Å; W270-F398 HydrophobicContact CB-CD1 4.15Å; W270-F398 HydrophobicContact CB-CE1 3.84Å
271	L	97.1	Very high	93.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.1	-38.5	175.3	-74.2	169.1	0	0	0	111.8	L267 R268 R274 Q275 L276 D277 L283 V374	L267-L271 HydrophobicContact CD1-CD1 4.34Å; L267-L271 HydrophobicContact CD1-CG 4.35Å; L267-L271 HydrophobicContact CG-CD1 4.12Å; L267-L271 WeakPolarHBondContact O-CB 3.12Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.25Å; L267-L271 PolarHBondContact O-N 2.96Å; R268-L271 PolarHBondContact O-N 3.25Å; L271-R274 CarbonylContact O-C 3.59Å; L271-R274 PolarHBondContact O-N 3.34Å; L271-R274 VanDerWaalsContact O-N 3.16Å; L271-Q275 PolarHBondContact O-N 3.31Å; L271-Q275 VanDerWaalsContact O-N 3.16Å; L271-L276 HydrophobicContact CD2-CB 3.86Å; L271-L276 PolarHBondContact O-N 3.15Å; L271-D277 HydrophobicContact CB-CB 3.97Å; L271-L283 HydrophobicContact CD1-CB 3.79Å; L271-L283 HydrophobicContact CD1-CD2 4.35Å; L271-L283 HydrophobicContact CD2-CB 4.25Å; L271-L283 HydrophobicContact CD2-CD2 3.99Å; L271-V374 HydrophobicContact CD2-CG1 4.27Å
272	R	94.7	Very high	92.8	Very high	34 Å²	34	19 Å²	19	13%	0.128	10%	0.101	C	C	.	.	H	α-helix	trans	-61	-46.4	-179.9	175.7	58.8	60.4	73.8	0.7	112.2	I113 D114 R268 A269 W270 R274 Q275 D277 R278	I113-R272 HydrophobicContact CD1-CB 3.85Å; I113-R272 HydrophobicContact CD1-CG 4.22Å; D114-R272 IonicContact OD1-CZ 3.9Å; D114-R272 IonicContact OD1-NH1 2.86Å; D114-R272 PolarHBondContact OD1-NH1 3.08Å; D114-R272 IonicContact OD1-NH2 3.5Å; D114-R272 IonicContact OD2-CZ 2.7Å; D114-R272 IonicContact OD2-NH1 3.59Å; D114-R272 PolarHBondContact OD2-NH1 3.16Å; D114-R272 IonicContact OD2-NH2 3.5Å; D114-R272 PolarHBondContact OD2-NH2 3.4Å; R268-R272 VanDerWaalsContact O-CB 3.3Å; R268-R272 WeakPolarHBondContact O-CB 3.36Å; R268-R272 PolarHBondContact O-N 3.12Å; A269-R272 WeakPolarHBondContact O-CB 3.38Å; A269-R272 PolarHBondContact O-N 3.46Å; W270-R272 VanDerWaalsContact C-N 3.3Å; W270-R272 PolarHBondContact O-N 3.31Å; R272-R274 PolarHBondContact O-N 2.98Å; R272-R274 VanDerWaalsContact O-N 3.12Å; R272-Q275 PolarHBondContact O-N 2.95Å; R272-D277 WeakPolarHBondContact CA-OD1 3.37Å; R272-D277 IonicContact CZ-OD2 3.3Å; R272-D277 VanDerWaalsContact NE-CG 3.28Å; R272-D277 IonicContact NE-OD1 3.68Å; R272-D277 PolarHBondContact NE-OD1 3.07Å; R272-D277 IonicContact NE-OD2 2.68Å; R272-D277 PolarHBondContact NE-OD2 2.83Å; R272-D277 IonicContact NH2-OD2 2.75Å; R272-D277 PolarHBondContact NH2-OD2 3.04Å; R272-R278 VanDerWaalsContact NH1-NH2 3.14Å
273	C	94.5	Very high	92.7	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.02	10%	0.097	C	C	.	.	H	α-helix	trans	-57.8	-27.8	178.4	-67.6	0	0	0	0	112.3	A269 W270 F398 Q400 L402	A269-C273 PolarHBondContact O-N 3.48Å; A269-C273 PolarHBondContact O-SG 2.83Å; W270-C273 PolarHBondContact O-N 3.04Å; C273-F398 PolarHBondContact SG-O 3.12Å; C273-Q400 WeakPolarHBondContact CB-O 3.42Å; C273-L402 WeakPolarHBondContact O-CB 3.19Å; C273-L402 WeakPolarHBondContact O-CG 3.42Å; C273-L402 PolarHBondContact O-N 3.24Å
274	R	93.9	Very high	92.4	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.026	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.5	178.9	-71	149.2	-176.6	80.7	9.7	114.3	W270 L271 R272 L276 E377 G396 L397 L402	W270-R274 VanDerWaalsContact CD1-CZ 3.45Å; W270-R274 PolarHBondContact O-NH1 3.48Å; L271-R274 CarbonylContact O-C 3.59Å; L271-R274 PolarHBondContact O-N 3.34Å; L271-R274 VanDerWaalsContact O-N 3.16Å; R272-R274 PolarHBondContact O-N 2.98Å; R272-R274 VanDerWaalsContact O-N 3.12Å; R274-L276 HydrophobicContact CB-CB 4.47Å; R274-L276 HydrophobicContact CB-CD1 3.83Å; R274-L276 HydrophobicContact CB-CG 3.95Å; R274-L276 PolarHBondContact O-N 3.44Å; R274-E377 WeakPolarHBondContact CD-OE2 3.37Å; R274-E377 HydrophobicContact CG-CG 4.15Å; R274-E377 IonicContact CZ-OE2 3.36Å; R274-E377 IonicContact NE-OE2 3.43Å; R274-E377 PolarHBondContact NE-OE2 2.89Å; R274-G396 PolarHBondContact NH2-O 3.38Å; R274-G396 VanDerWaalsContact NH2-O 3.16Å; R274-L397 PolarHBondContact NH1-O 2.53Å; R274-L402 HydrophobicContact CG-CD1 3.58Å; R274-L402 HydrophobicContact CG-CG 4.43Å
275	Q	91.5	Very high	92.2	Very high	74 Å²	74	21.5 Å²	21.5	35%	0.346	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.2	-173.6	-51.2	-177.4	16.7	0	0	113.7	L271 R272 L468	L271-Q275 PolarHBondContact O-N 3.31Å; L271-Q275 VanDerWaalsContact O-N 3.16Å; R272-Q275 PolarHBondContact O-N 2.95Å; Q275-L468 HydrophobicContact CB-CD1 4.18Å
276	L	93.8	Very high	92.1	Very high	12 Å²	12	24 Å²	24	6%	0.063	13%	0.133	C	C	.	.			trans	-95.8	-3.6	-178.5	-69.7	172.1	0	0	0	113.3	L271 R274 G282 L283 Q373 V374 E377	L271-L276 HydrophobicContact CD2-CB 3.86Å; L271-L276 PolarHBondContact O-N 3.15Å; R274-L276 HydrophobicContact CB-CB 4.47Å; R274-L276 HydrophobicContact CB-CD1 3.83Å; R274-L276 HydrophobicContact CB-CG 3.95Å; R274-L276 PolarHBondContact O-N 3.44Å; L276-G282 CarbonylContact O-C 3.54Å; L276-G282 WeakPolarHBondContact O-CA 3.39Å; L276-L283 PolarHBondContact O-N 3.48Å; L276-Q373 HydrophobicContact CD2-CB 4.27Å; L276-V374 HydrophobicContact CD1-CG2 3.97Å; L276-V374 HydrophobicContact CD2-CG2 4.48Å; L276-E377 HydrophobicContact CD1-CG 3.97Å
277	D	91.9	Very high	92	Very high	18 Å²	18	24.2 Å²	24.2	10%	0.096	13%	0.134	C	C	.	.	S	Bend	trans	-94.1	-3.4	177.5	77.3	-49.7	0	0	0	114.4	L271 R272 L283	L271-D277 HydrophobicContact CB-CB 3.97Å; R272-D277 WeakPolarHBondContact CA-OD1 3.37Å; R272-D277 IonicContact CZ-OD2 3.3Å; R272-D277 VanDerWaalsContact NE-CG 3.28Å; R272-D277 IonicContact NE-OD1 3.68Å; R272-D277 PolarHBondContact NE-OD1 3.07Å; R272-D277 IonicContact NE-OD2 2.68Å; R272-D277 PolarHBondContact NE-OD2 2.83Å; R272-D277 IonicContact NH2-OD2 2.75Å; R272-D277 PolarHBondContact NH2-OD2 3.04Å; D277-L283 WeakPolarHBondContact CA-O 3.4Å
278	R	85.2	Confident	91.9	Very high	122 Å²	122	24.1 Å²	24.1	46%	0.46	13%	0.133	S	C	.	.	S	Bend	trans	-124.5	164.9	-173.3	-68	179.9	-179.3	-168.4	-0.7	111.9	D114 R272 L468	D114-R278 IonicContact OD1-NH2 2.72Å; R272-R278 VanDerWaalsContact NH1-NH2 3.14Å; R278-L468 HydrophobicContact CB-CD1 3.83Å; R278-L468 VanDerWaalsContact O-CD2 3.29Å; R278-L468 WeakPolarHBondContact O-CD2 3.46Å
279	G	80.8	Confident	92	Very high	13 Å²	13	23.2 Å²	23.2	13%	0.134	13%	0.13	C	C	.	.	S	Bend	trans	79.3	171.1	179.7	0	0	0	0	0	114.9	D171 G281 G282	D171-G279 WeakPolarHBondContact OD2-CA 3.26Å; D171-G279 PolarHBondContact OD2-N 2.98Å; G279-G281 PolarHBondContact O-N 3.46Å; G279-G282 PolarHBondContact O-N 2.9Å
280	C	78.7	Confident	92	Very high	41 Å²	41	22.8 Å²	22.8	28%	0.277	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	119.3	174.3	-173.7	0	0	0	0	110.6
281	G	83.4	Confident	92	Very high	8 Å²	8	22.8 Å²	22.8	8%	0.082	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	1.2	-179.5	0	0	0	0	0	116.1	G279 D365 C366	G279-G281 PolarHBondContact O-N 3.46Å; G281-D365 VanDerWaalsContact CA-C 3.42Å; G281-D365 WeakPolarHBondContact CA-O 3.16Å; G281-C366 PolarHBondContact O-SG 2.77Å
282	G	88.9	Confident	92	Very high	21 Å²	21	22.8 Å²	22.8	22%	0.216	13%	0.127	C	C	.	.			trans	-62.8	156	175	0	0	0	0	0	113.3	L276 G279 S284	L276-G282 CarbonylContact O-C 3.54Å; L276-G282 WeakPolarHBondContact O-CA 3.39Å; G279-G282 PolarHBondContact O-N 2.9Å; G282-S284 VanDerWaalsContact C-N 3.33Å; G282-S284 PolarHBondContact O-N 2.79Å
283	L	93.9	Very high	92.1	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.124	C	C	.	.			trans	-78.2	84.4	178.3	-83.1	63.4	0	0	0	109.6	L271 L276 D277 F287 I370 W371 V374	L271-L283 HydrophobicContact CD1-CB 3.79Å; L271-L283 HydrophobicContact CD1-CD2 4.35Å; L271-L283 HydrophobicContact CD2-CB 4.25Å; L271-L283 HydrophobicContact CD2-CD2 3.99Å; L276-L283 PolarHBondContact O-N 3.48Å; D277-L283 WeakPolarHBondContact CA-O 3.4Å; L283-F287 HydrophobicContact CB-CD1 3.89Å; L283-F287 HydrophobicContact CB-CE1 4.4Å; L283-F287 HydrophobicContact CB-CG 4.37Å; L283-F287 HydrophobicContact CD2-CD1 3.86Å; L283-F287 HydrophobicContact CD2-CE1 3.51Å; L283-F287 HydrophobicContact CD2-CZ 4.17Å; L283-F287 HydrophobicContact CG-CD1 3.58Å; L283-F287 HydrophobicContact CG-CE1 3.64Å; L283-F287 HydrophobicContact CG-CG 4.11Å; L283-F287 HydrophobicContact CG-CZ 4.16Å; L283-I370 HydrophobicContact CD1-CG2 4.07Å; L283-W371 HydrophobicContact CD2-CZ3 4.19Å; L283-V374 HydrophobicContact CD1-CG2 3.69Å; L283-V374 HydrophobicContact CD2-CB 4.28Å; L283-V374 HydrophobicContact CD2-CG1 3.72Å; L283-V374 HydrophobicContact CD2-CG2 3.67Å; L283-V374 HydrophobicContact CG-CG2 4.32Å
284	S	91.6	Very high	92.2	Very high	42 Å²	42	23.7 Å²	23.7	29%	0.294	13%	0.133	S	C	.	.			trans	-59	167.1	-179	69.8	0	0	0	0	113.5	G282 T286 F287 A288	G282-S284 VanDerWaalsContact C-N 3.33Å; G282-S284 PolarHBondContact O-N 2.79Å; S284-T286 PolarHBondContact O-N 3.34Å; S284-T286 PolarHBondContact OG-N 3.46Å; S284-F287 WeakPolarHBondContact O-CB 3.24Å; S284-F287 PolarHBondContact O-N 2.88Å; S284-F287 VanDerWaalsContact O-N 3.07Å; S284-F287 PolarHBondContact OG-N 3.07Å; S284-A288 PolarHBondContact O-N 2.9Å
285	C	93.7	Very high	92.4	Very high	22 Å²	22	23.6 Å²	23.6	15%	0.149	13%	0.133	C	C	.	.	H	α-helix	trans	-52.3	-43.2	171.2	-175	0	0	0	0	111.7	L111 R268 F287 A288 S289	L111-C285 VanDerWaalsContact CD1-SG 3.58Å; R268-C285 PolarHBondContact NH1-SG 2.88Å; R268-C285 VanDerWaalsContact NH1-SG 3.36Å; C285-F287 PolarHBondContact O-N 2.8Å; C285-A288 PolarHBondContact O-N 3.24Å; C285-S289 WeakPolarHBondContact O-CB 3.34Å; C285-S289 PolarHBondContact O-N 2.88Å; C285-S289 PolarHBondContact O-OG 2.85Å
286	T	94.2	Very high	92.5	Very high	53 Å²	53	21.7 Å²	21.7	33%	0.325	13%	0.125	S	C	.	.	H	α-helix	trans	-61.7	-43.8	177.9	-55.5	0	0	0	0	111.5	T249 L253 S284 M290	T249-T286 HydrophobicContact CG2-CG2 3.82Å; L253-T286 HydrophobicContact CD1-CG2 4.43Å; S284-T286 PolarHBondContact O-N 3.34Å; S284-T286 PolarHBondContact OG-N 3.46Å; T286-M290 HydrophobicContact CG2-CG 4.32Å; T286-M290 VanDerWaalsContact O-CB 3.28Å; T286-M290 WeakPolarHBondContact O-CB 3.22Å; T286-M290 WeakPolarHBondContact O-CG 3.43Å; T286-M290 PolarHBondContact O-N 3.02Å
287	F	95.5	Very high	92.5	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-52.4	174.9	178	-78.3	0	0	0	110.9	L283 S284 C285 S289 M290 F291 M323 F353 I362 C363 W371	L283-F287 HydrophobicContact CB-CD1 3.89Å; L283-F287 HydrophobicContact CB-CE1 4.4Å; L283-F287 HydrophobicContact CB-CG 4.37Å; L283-F287 HydrophobicContact CD2-CD1 3.86Å; L283-F287 HydrophobicContact CD2-CE1 3.51Å; L283-F287 HydrophobicContact CD2-CZ 4.17Å; L283-F287 HydrophobicContact CG-CD1 3.58Å; L283-F287 HydrophobicContact CG-CE1 3.64Å; L283-F287 HydrophobicContact CG-CG 4.11Å; L283-F287 HydrophobicContact CG-CZ 4.16Å; S284-F287 WeakPolarHBondContact O-CB 3.24Å; S284-F287 PolarHBondContact O-N 2.88Å; S284-F287 VanDerWaalsContact O-N 3.07Å; S284-F287 PolarHBondContact OG-N 3.07Å; C285-F287 PolarHBondContact O-N 2.8Å; F287-S289 PolarHBondContact O-N 2.8Å; F287-M290 PolarHBondContact O-N 2.84Å; F287-F291 HydrophobicContact CD1-CB 4.49Å; F287-F291 HydrophobicContact CE1-CB 4.16Å; F287-F291 HydrophobicContact CE1-CG 4.32Å; F287-F291 HydrophobicContact CZ-CD2 4.49Å; F287-F291 VanDerWaalsContact O-CB 3.29Å; F287-F291 WeakPolarHBondContact O-CB 3.47Å; F287-F291 PolarHBondContact O-N 2.96Å; F287-M323 HydrophobicContact CE2-CE 4.16Å; F287-M323 HydrophobicContact CZ-CE 4.03Å; F287-F353 AromaticContact CD2-CD1 3.96Å; F287-F353 HydrophobicContact CD2-CD1 3.96Å; F287-F353 HydrophobicContact CD2-CE1 4.4Å; F287-F353 AromaticContact CE2-CD1 3.68Å; F287-F353 HydrophobicContact CE2-CD1 3.68Å; F287-F353 HydrophobicContact CE2-CE1 4.25Å; F287-F353 HydrophobicContact CZ-CD1 4.32Å; F287-I362 HydrophobicContact CB-CG2 3.94Å; F287-I362 HydrophobicContact CD2-CG2 4.03Å; F287-I362 HydrophobicContact CG-CG2 4.46Å; F287-C363 WeakPolarHBondContact CE2-SG 3.38Å; F287-W371 HydrophobicContact CE1-CZ3 4.16Å; F287-W371 HydrophobicContact CZ-CE3 4.37Å; F287-W371 HydrophobicContact CZ-CH2 4.36Å; F287-W371 AromaticContact CZ-CZ3 3.63Å; F287-W371 HydrophobicContact CZ-CZ3 3.63Å
288	A	97.2	Very high	92.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-45.6	-177.6	0	0	0	0	0	112	V264 L267 R268 S284 C285 F291 V292	V264-A288 HydrophobicContact CG1-CB 4.24Å; L267-A288 HydrophobicContact CD2-CB 3.79Å; L267-A288 HydrophobicContact CG-CB 4.37Å; R268-A288 HydrophobicContact CG-CB 4.23Å; S284-A288 PolarHBondContact O-N 2.9Å; C285-A288 PolarHBondContact O-N 3.24Å; A288-F291 PolarHBondContact O-N 3.25Å; A288-V292 WeakPolarHBondContact O-CG2 3.46Å; A288-V292 PolarHBondContact O-N 3.02Å; A288-V292 VanDerWaalsContact O-N 3.09Å
289	S	97.5	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-43.9	177.9	-57.2	0	0	0	0	112.6	L111 C285 F287 F291 S293	L111-S289 WeakPolarHBondContact CD1-OG 3.07Å; C285-S289 WeakPolarHBondContact O-CB 3.34Å; C285-S289 PolarHBondContact O-N 2.88Å; C285-S289 PolarHBondContact O-OG 2.85Å; F287-S289 PolarHBondContact O-N 2.8Å; S289-F291 VanDerWaalsContact C-N 3.35Å; S289-S293 WeakPolarHBondContact O-CB 3.43Å; S289-S293 PolarHBondContact O-N 3.3Å
290	M	96.6	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-40.1	177.5	-73.1	-67.8	-174.2	0	0	111.4	T249 Y252 L253 T286 F287 S293 H294 I330 F353 P356 I362	T249-M290 HydrophobicContact CG2-CE 3.7Å; Y252-M290 HydrophobicContact CD1-CE 3.73Å; Y252-M290 HydrophobicContact CD1-SD 3.71Å; Y252-M290 HydrophobicContact CE1-CE 4.29Å; Y252-M290 HydrophobicContact CE1-SD 3.65Å; L253-M290 HydrophobicContact CD1-CE 4.27Å; L253-M290 HydrophobicContact CD2-CE 3.84Å; L253-M290 HydrophobicContact CD2-CG 4.06Å; L253-M290 HydrophobicContact CD2-SD 3.73Å; L253-M290 HydrophobicContact CG-CE 3.86Å; L253-M290 HydrophobicContact CG-SD 4.42Å; T286-M290 HydrophobicContact CG2-CG 4.32Å; T286-M290 VanDerWaalsContact O-CB 3.28Å; T286-M290 WeakPolarHBondContact O-CB 3.22Å; T286-M290 WeakPolarHBondContact O-CG 3.43Å; T286-M290 PolarHBondContact O-N 3.02Å; F287-M290 PolarHBondContact O-N 2.84Å; M290-S293 WeakPolarHBondContact O-CB 3.11Å; M290-S293 PolarHBondContact O-N 2.93Å; M290-H294 WeakPolarHBondContact O-CB 3.48Å; M290-H294 PolarHBondContact O-N 3.03Å; M290-I330 HydrophobicContact CB-CD1 3.97Å; M290-I330 HydrophobicContact CG-CD1 4.42Å; M290-I330 HydrophobicContact SD-CD1 3.7Å; M290-F353 HydrophobicContact CB-CE1 4.05Å; M290-F353 HydrophobicContact CB-CE2 4.38Å; M290-F353 HydrophobicContact CB-CZ 3.65Å; M290-P356 HydrophobicContact CE-CG 3.79Å; M290-P356 HydrophobicContact SD-CG 4.19Å; M290-I362 HydrophobicContact CB-CD1 3.81Å; M290-I362 HydrophobicContact CG-CD1 3.68Å
291	F	97.6	Very high	94.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-47.4	178.6	-169	-112.5	0	0	0	111.4	F287 A288 S289 S293 H294 L295 V314 A317 I318 L321 I328 F353 W371	F287-F291 HydrophobicContact CD1-CB 4.49Å; F287-F291 HydrophobicContact CE1-CB 4.16Å; F287-F291 HydrophobicContact CE1-CG 4.32Å; F287-F291 HydrophobicContact CZ-CD2 4.49Å; F287-F291 VanDerWaalsContact O-CB 3.29Å; F287-F291 WeakPolarHBondContact O-CB 3.47Å; F287-F291 PolarHBondContact O-N 2.96Å; A288-F291 PolarHBondContact O-N 3.25Å; S289-F291 VanDerWaalsContact C-N 3.35Å; F291-S293 VanDerWaalsContact C-N 3.34Å; F291-S293 PolarHBondContact O-N 2.81Å; F291-H294 WeakPolarHBondContact O-CB 3.37Å; F291-H294 PolarHBondContact O-N 2.75Å; F291-L295 HydrophobicContact CD1-CD1 3.88Å; F291-L295 HydrophobicContact CD1-CG 4.46Å; F291-L295 HydrophobicContact CE1-CD1 3.53Å; F291-L295 HydrophobicContact CE1-CG 4.23Å; F291-L295 HydrophobicContact CZ-CD1 4.04Å; F291-L295 HydrophobicContact CZ-CD2 4.31Å; F291-L295 HydrophobicContact CZ-CG 4.35Å; F291-L295 WeakPolarHBondContact O-CG 3.39Å; F291-L295 PolarHBondContact O-N 3.32Å; F291-V314 HydrophobicContact CD1-CG1 4.32Å; F291-V314 HydrophobicContact CE1-CG1 4.24Å; F291-A317 HydrophobicContact CE1-CB 4.46Å; F291-A317 HydrophobicContact CZ-CB 4.26Å; F291-I318 HydrophobicContact CE1-CD1 4.39Å; F291-I318 HydrophobicContact CE1-CG1 3.69Å; F291-I318 HydrophobicContact CZ-CG1 4.11Å; F291-L321 HydrophobicContact CE2-CD2 3.64Å; F291-L321 HydrophobicContact CZ-CD2 4.1Å; F291-I328 HydrophobicContact CD2-CD1 4.23Å; F291-I328 HydrophobicContact CE2-CD1 3.97Å; F291-F353 HydrophobicContact CB-CE1 4.05Å; F291-F353 HydrophobicContact CD2-CE1 4.17Å; F291-W371 HydrophobicContact CE2-CH2 4.48Å; F291-W371 HydrophobicContact CZ-CH2 4.41Å
292	V	97.7	Very high	94.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-41.6	174.7	168.8	0	0	0	0	111.3	C260 V263 V264 L267 A288 H294 L295 L296 L301 V314	C260-V292 HydrophobicContact CB-CG1 3.9Å; V263-V292 HydrophobicContact CG1-CG2 4.24Å; V264-V292 HydrophobicContact CG2-CB 3.79Å; V264-V292 HydrophobicContact CG2-CG1 3.97Å; V264-V292 HydrophobicContact CG2-CG2 3.76Å; L267-V292 HydrophobicContact CD2-CG2 4.34Å; A288-V292 WeakPolarHBondContact O-CG2 3.46Å; A288-V292 PolarHBondContact O-N 3.02Å; A288-V292 VanDerWaalsContact O-N 3.09Å; V292-H294 VanDerWaalsContact C-N 3.33Å; V292-H294 PolarHBondContact O-N 3.32Å; V292-L295 PolarHBondContact O-N 2.85Å; V292-L296 WeakPolarHBondContact O-CB 3.39Å; V292-L296 PolarHBondContact O-N 3.27Å; V292-L301 HydrophobicContact CG1-CD1 3.93Å; V292-V314 HydrophobicContact CG2-CG2 4.13Å
293	S	96.3	Very high	94.7	Very high	9 Å²	9	45 Å²	45	6%	0.063	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-43.6	174	-170.9	0	0	0	0	112.4	Y252 S289 M290 F291 L296 K297	Y252-S293 WeakPolarHBondContact CE1-OG 3.29Å; Y252-S293 PolarHBondContact OH-OG 3.16Å; S289-S293 WeakPolarHBondContact O-CB 3.43Å; S289-S293 PolarHBondContact O-N 3.3Å; M290-S293 WeakPolarHBondContact O-CB 3.11Å; M290-S293 PolarHBondContact O-N 2.93Å; F291-S293 VanDerWaalsContact C-N 3.34Å; F291-S293 PolarHBondContact O-N 2.81Å; S293-L296 PolarHBondContact O-N 2.69Å; S293-K297 WeakPolarHBondContact O-CG 3.3Å; S293-K297 PolarHBondContact O-N 3.26Å
294	H	96.2	Very high	94.4	Very high	47 Å²	47	48.1 Å²	48.1	22%	0.218	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-47	177.7	171.9	71.8	0	0	0	111.5	M290 F291 V292 L296 K297 G298 I328 I330 F353	M290-H294 WeakPolarHBondContact O-CB 3.48Å; M290-H294 PolarHBondContact O-N 3.03Å; F291-H294 WeakPolarHBondContact O-CB 3.37Å; F291-H294 PolarHBondContact O-N 2.75Å; V292-H294 VanDerWaalsContact C-N 3.33Å; V292-H294 PolarHBondContact O-N 3.32Å; H294-L296 VanDerWaalsContact C-N 3.33Å; H294-L296 PolarHBondContact O-N 2.89Å; H294-K297 PolarHBondContact O-N 3.25Å; H294-G298 PolarHBondContact O-N 3.47Å; H294-I328 HydrophobicContact CB-CG2 4.42Å; H294-I330 HydrophobicContact CB-CD1 4.28Å; H294-I330 HydrophobicContact CB-CG1 4.24Å; H294-F353 HydrophobicContact CB-CZ 4.37Å
295	L	97.1	Very high	94.4	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-36.7	178.9	-64.3	177.4	0	0	0	112.5	F291 V292 G298 K299 Q300 L301 V314 A317	F291-L295 HydrophobicContact CD1-CD1 3.88Å; F291-L295 HydrophobicContact CD1-CG 4.46Å; F291-L295 HydrophobicContact CE1-CD1 3.53Å; F291-L295 HydrophobicContact CE1-CG 4.23Å; F291-L295 HydrophobicContact CZ-CD1 4.04Å; F291-L295 HydrophobicContact CZ-CD2 4.31Å; F291-L295 HydrophobicContact CZ-CG 4.35Å; F291-L295 WeakPolarHBondContact O-CG 3.39Å; F291-L295 PolarHBondContact O-N 3.32Å; V292-L295 PolarHBondContact O-N 2.85Å; L295-G298 CarbonylContact O-C 3.59Å; L295-G298 PolarHBondContact O-N 2.92Å; L295-K299 PolarHBondContact O-N 2.67Å; L295-Q300 HydrophobicContact CB-CB 4.3Å; L295-Q300 HydrophobicContact CD2-CB 4.3Å; L295-Q300 PolarHBondContact O-N 3.38Å; L295-L301 HydrophobicContact CB-CD1 3.79Å; L295-L301 HydrophobicContact CB-CG 3.74Å; L295-L301 HydrophobicContact CD1-CD1 4.48Å; L295-L301 PolarHBondContact O-N 3.47Å; L295-V314 HydrophobicContact CD1-CB 4.41Å; L295-V314 HydrophobicContact CD1-CG2 3.94Å; L295-A317 HydrophobicContact CD1-CB 3.83Å; L295-A317 HydrophobicContact CD2-CB 3.74Å; L295-A317 HydrophobicContact CG-CB 4.46Å
296	L	95.6	Very high	94.3	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-50.4	173.2	-178.9	69.2	0	0	0	111.3	P257 V292 S293 H294 G298 K299 L301 E303	P257-L296 HydrophobicContact CG-CD2 3.93Å; V292-L296 WeakPolarHBondContact O-CB 3.39Å; V292-L296 PolarHBondContact O-N 3.27Å; S293-L296 PolarHBondContact O-N 2.69Å; H294-L296 VanDerWaalsContact C-N 3.33Å; H294-L296 PolarHBondContact O-N 2.89Å; L296-G298 PolarHBondContact O-N 3.14Å; L296-K299 PolarHBondContact O-N 2.83Å; L296-L301 HydrophobicContact CD1-CB 4.33Å; L296-E303 HydrophobicContact CD1-CG 4.07Å
297	K	92.9	Very high	94.3	Very high	129 Å²	129	48 Å²	48	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-60.5	-35.6	176.5	-77.8	-177.8	168.7	-178	0	112.3	Y252 S293 H294 K299	Y252-K297 WeakPolarHBondContact OH-CE 3.49Å; Y252-K297 PolarHBondContact OH-NZ 3.04Å; S293-K297 WeakPolarHBondContact O-CG 3.3Å; S293-K297 PolarHBondContact O-N 3.26Å; H294-K297 PolarHBondContact O-N 3.25Å; K297-K299 PolarHBondContact O-N 3.03Å
298	G	93.1	Very high	94.3	Very high	44 Å²	44	47.8 Å²	47.8	45%	0.454	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	2.9	174.6	0	0	0	0	0	114.8	H294 L295 L296 Q300	H294-G298 PolarHBondContact O-N 3.47Å; L295-G298 CarbonylContact O-C 3.59Å; L295-G298 PolarHBondContact O-N 2.92Å; L296-G298 PolarHBondContact O-N 3.14Å; G298-Q300 PolarHBondContact O-N 3.33Å; G298-Q300 VanDerWaalsContact O-N 3.16Å
299	K	94	Very high	94.2	Very high	180 Å²	180	49.6 Å²	49.6	78%	0.783	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	21.2	-176.2	-55.4	-178	179.3	-179.1	0	114.4	L295 L296 K297	L295-K299 PolarHBondContact O-N 2.67Å; L296-K299 PolarHBondContact O-N 2.83Å; K297-K299 PolarHBondContact O-N 3.03Å
300	Q	94.9	Very high	94.1	Very high	107 Å²	107	49.9 Å²	49.9	50%	0.5	27%	0.265	S	S	.	.	S	Bend	trans	-81.5	-23.3	172.9	-63.6	-176	47	0	0	111.5	L295 G298	L295-Q300 HydrophobicContact CB-CB 4.3Å; L295-Q300 HydrophobicContact CD2-CB 4.3Å; L295-Q300 PolarHBondContact O-N 3.38Å; G298-Q300 PolarHBondContact O-N 3.33Å; G298-Q300 VanDerWaalsContact O-N 3.16Å
301	L	95.4	Very high	94.2	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	27%	0.265	C	S	.	.	S	Bend	trans	-110.5	146.1	168.3	-52.9	179	0	0	0	109.3	V292 L295 L296 N310 A313 V314	V292-L301 HydrophobicContact CG1-CD1 3.93Å; L295-L301 HydrophobicContact CB-CD1 3.79Å; L295-L301 HydrophobicContact CB-CG 3.74Å; L295-L301 HydrophobicContact CD1-CD1 4.48Å; L295-L301 PolarHBondContact O-N 3.47Å; L296-L301 HydrophobicContact CD1-CB 4.33Å; L301-N310 HydrophobicContact CD2-CB 4.2Å; L301-A313 HydrophobicContact CD2-CB 3.69Å; L301-V314 HydrophobicContact CD1-CG2 4.06Å; L301-V314 HydrophobicContact CD2-CG2 4.03Å
302	R	91.6	Very high	94.1	Very high	149 Å²	149	53 Å²	53	56%	0.562	28%	0.279	S	S	*	.			trans	-121.4	133.1	176.8	-67.7	-177.9	-68.8	-98.9	-4.6	109.6	G304 D305 N310	R302-G304 PolarHBondContact O-N 3.24Å; R302-D305 HydrophobicContact CB-CB 4.28Å; R302-D305 IonicContact CZ-OD1 2.77Å; R302-D305 IonicContact CZ-OD2 3.63Å; R302-D305 VanDerWaalsContact CZ-OD2 3.3Å; R302-D305 IonicContact NE-OD1 3.84Å; R302-D305 PolarHBondContact NE-OD1 3.15Å; R302-D305 IonicContact NE-OD2 2.86Å; R302-D305 PolarHBondContact NE-OD2 2.96Å; R302-D305 IonicContact NH2-OD1 2.74Å; R302-D305 PolarHBondContact NH2-OD1 2.8Å; R302-D305 IonicContact NH2-OD2 3.5Å; R302-D305 PolarHBondContact NH2-OD2 3.43Å; R302-D305 PolarHBondContact O-N 3.5Å; R302-D305 VanDerWaalsContact O-N 3.09Å; R302-N310 PolarHBondContact N-OD1 2.84Å; R302-N310 PolarHBondContact O-ND2 2.97Å; R302-N310 PolarHBondContact O-OD1 3.38Å
303	E	86.1	Confident	94.1	Very high	110 Å²	110	54.6 Å²	54.6	51%	0.514	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.8	175.3	-64.8	-175.3	-160.6	0	0	112.8	K259 L296	K259-E303 WeakPolarHBondContact CD-O 3.11Å; K259-E303 PolarHBondContact NZ-O 3.18Å; L296-E303 HydrophobicContact CD1-CG 4.07Å
304	G	87.4	Confident	94.2	Very high	70 Å²	70	54.1 Å²	54.1	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-26	173.7	0	0	0	0	0	114.2	R302	R302-G304 PolarHBondContact O-N 3.24Å
305	D	91	Very high	94.3	Very high	35 Å²	35	51.9 Å²	51.9	19%	0.187	28%	0.279	C	S	.	.	S	Bend	trans	-74	157.7	-176.6	-72.5	19.8	0	0	0	111.5	R302	R302-D305 HydrophobicContact CB-CB 4.28Å; R302-D305 IonicContact CZ-OD1 2.77Å; R302-D305 IonicContact CZ-OD2 3.63Å; R302-D305 VanDerWaalsContact CZ-OD2 3.3Å; R302-D305 IonicContact NE-OD1 3.84Å; R302-D305 PolarHBondContact NE-OD1 3.15Å; R302-D305 IonicContact NE-OD2 2.86Å; R302-D305 PolarHBondContact NE-OD2 2.96Å; R302-D305 IonicContact NH2-OD1 2.74Å; R302-D305 PolarHBondContact NH2-OD1 2.8Å; R302-D305 IonicContact NH2-OD2 3.5Å; R302-D305 PolarHBondContact NH2-OD2 3.43Å; R302-D305 PolarHBondContact O-N 3.5Å; R302-D305 VanDerWaalsContact O-N 3.09Å
306	T	93.1	Very high	94.4	Very high	61 Å²	61	54 Å²	54	37%	0.374	29%	0.293	S	S	.	.			trans	-66.1	159	175.4	72.2	0	0	0	0	111.3	E17 W308 S309 N310	E17-T306 WeakPolarHBondContact OE2-CB 3.38Å; E17-T306 PolarHBondContact OE2-OG1 3.3Å; T306-W308 VanDerWaalsContact C-N 3.27Å; T306-W308 PolarHBondContact O-N 3.14Å; T306-S309 PolarHBondContact O-N 3.33Å; T306-S309 WeakPolarHBondContact OG1-CB 3.45Å; T306-S309 PolarHBondContact OG1-N 2.92Å; T306-S309 VanDerWaalsContact OG1-N 3.1Å; T306-N310 PolarHBondContact O-N 3.34Å; T306-N310 PolarHBondContact O-ND2 2.91Å
307	V	94.1	Very high	94.5	Very high	18 Å²	18	52.9 Å²	52.9	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-41	179.4	179.4	0	0	0	0	109.8	E17 L24 C262 V263 L266 N310 F311	E17-V307 PolarHBondContact OE2-N 2.78Å; L24-V307 HydrophobicContact CD1-CG1 4.23Å; C262-V307 HydrophobicContact CB-CG1 3.71Å; C262-V307 HydrophobicContact CB-CG2 3.95Å; V263-V307 HydrophobicContact CG2-CG1 4.01Å; L266-V307 HydrophobicContact CD1-CG1 3.69Å; L266-V307 HydrophobicContact CG-CG1 4.49Å; V307-N310 PolarHBondContact O-N 3.32Å; V307-F311 WeakPolarHBondContact O-CB 3.02Å; V307-F311 PolarHBondContact O-N 3.4Å
308	W	94.5	Very high	94.7	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-44.8	175.9	-177.8	-122.1	0	0	0	113.1	Y16 E17 T306 N310 F311 K312 I385 L397 F398	Y16-W308 VanDerWaalsContact CB-NE1 3.35Å; Y16-W308 AromaticContact CD1-CH2 3.87Å; Y16-W308 HydrophobicContact CD1-CH2 3.87Å; Y16-W308 AromaticContact CD1-CZ2 3.55Å; Y16-W308 HydrophobicContact CD1-CZ2 3.55Å; Y16-W308 HydrophobicContact CD2-CZ2 4.03Å; Y16-W308 AromaticContact CD2-NE1 3.8Å; Y16-W308 HydrophobicContact CE1-CH2 4.4Å; Y16-W308 HydrophobicContact CE1-CZ2 4.08Å; Y16-W308 HydrophobicContact CE2-CZ2 4.5Å; Y16-W308 HydrophobicContact CG-CD2 4.46Å; Y16-W308 AromaticContact CG-CE2 3.63Å; Y16-W308 HydrophobicContact CG-CH2 4.23Å; Y16-W308 AromaticContact CG-CZ2 3.5Å; Y16-W308 HydrophobicContact CG-CZ2 3.5Å; Y16-W308 AromaticContact CG-NE1 3.7Å; E17-W308 HydrophobicContact CB-CB 4.4Å; E17-W308 WeakPolarHBondContact OE2-CB 3.32Å; E17-W308 PolarHBondContact OE2-N 3.25Å; T306-W308 VanDerWaalsContact C-N 3.27Å; T306-W308 PolarHBondContact O-N 3.14Å; W308-N310 PolarHBondContact O-N 2.97Å; W308-F311 AromaticContact CE3-CD1 3.81Å; W308-F311 HydrophobicContact CE3-CD1 3.81Å; W308-F311 HydrophobicContact CH2-CD1 4.28Å; W308-F311 HydrophobicContact CH2-CE1 4.3Å; W308-F311 AromaticContact CZ3-CD1 3.56Å; W308-F311 HydrophobicContact CZ3-CD1 3.56Å; W308-F311 AromaticContact CZ3-CE1 3.82Å; W308-F311 HydrophobicContact CZ3-CE1 3.82Å; W308-F311 PolarHBondContact O-N 2.92Å; W308-K312 HydrophobicContact CZ2-CD 4.44Å; W308-K312 HydrophobicContact CZ2-CG 4.43Å; W308-K312 PolarHBondContact O-N 3.31Å; W308-I385 HydrophobicContact CH2-CD1 3.79Å; W308-I385 HydrophobicContact CH2-CG1 4.19Å; W308-I385 HydrophobicContact CZ2-CD1 3.74Å; W308-I385 HydrophobicContact CZ2-CG1 3.96Å; W308-I385 HydrophobicContact CZ2-CG2 4.16Å; W308-L397 HydrophobicContact CH2-CD1 3.81Å; W308-F398 HydrophobicContact CH2-CE2 4.46Å; W308-F398 AromaticContact CZ3-CE2 3.9Å; W308-F398 HydrophobicContact CZ3-CE2 3.9Å; W308-F398 HydrophobicContact CZ3-CZ 4.06Å
309	S	94.9	Very high	95	Very high	39 Å²	39	46.5 Å²	46.5	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-46.9	177.1	-176.9	0	0	0	0	111.3	T306 F311 K312 A313	T306-S309 PolarHBondContact O-N 3.33Å; T306-S309 WeakPolarHBondContact OG1-CB 3.45Å; T306-S309 PolarHBondContact OG1-N 2.92Å; T306-S309 VanDerWaalsContact OG1-N 3.1Å; S309-F311 VanDerWaalsContact C-N 3.34Å; S309-F311 PolarHBondContact O-N 2.87Å; S309-K312 PolarHBondContact O-N 3.17Å; S309-A313 PolarHBondContact O-N 3.22Å
310	N	96.8	Very high	95.1	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-37.7	176.3	-78.9	-43.2	0	0	0	112.2	V263 L301 R302 T306 V307 W308 A313 V314	V263-N310 HydrophobicContact CG1-CB 4.48Å; V263-N310 HydrophobicContact CG2-CB 3.63Å; L301-N310 HydrophobicContact CD2-CB 4.2Å; R302-N310 PolarHBondContact N-OD1 2.84Å; R302-N310 PolarHBondContact O-ND2 2.97Å; R302-N310 PolarHBondContact O-OD1 3.38Å; T306-N310 PolarHBondContact O-N 3.34Å; T306-N310 PolarHBondContact O-ND2 2.91Å; V307-N310 PolarHBondContact O-N 3.32Å; W308-N310 PolarHBondContact O-N 2.97Å; N310-A313 WeakPolarHBondContact O-CB 3.33Å; N310-A313 PolarHBondContact O-N 3.31Å; N310-V314 WeakPolarHBondContact O-CG2 3.37Å; N310-V314 PolarHBondContact O-N 3.2Å
311	F	97.3	Very high	95.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-44.9	173.6	173.9	-103.1	0	0	0	112.1	L266 W270 V307 W308 S309 A313 V314 L315 F398	L266-F311 HydrophobicContact CB-CD2 3.69Å; L266-F311 HydrophobicContact CB-CE2 4.06Å; L266-F311 HydrophobicContact CB-CG 4.25Å; L266-F311 HydrophobicContact CD1-CB 4.07Å; L266-F311 HydrophobicContact CD1-CD2 4.48Å; L266-F311 HydrophobicContact CD1-CG 4.22Å; W270-F311 HydrophobicContact CB-CE2 4.19Å; W270-F311 HydrophobicContact CB-CZ 4.08Å; W270-F311 HydrophobicContact CG-CE2 4.45Å; W270-F311 HydrophobicContact CG-CZ 4.05Å; V307-F311 WeakPolarHBondContact O-CB 3.02Å; V307-F311 PolarHBondContact O-N 3.4Å; W308-F311 AromaticContact CE3-CD1 3.81Å; W308-F311 HydrophobicContact CE3-CD1 3.81Å; W308-F311 HydrophobicContact CH2-CD1 4.28Å; W308-F311 HydrophobicContact CH2-CE1 4.3Å; W308-F311 AromaticContact CZ3-CD1 3.56Å; W308-F311 HydrophobicContact CZ3-CD1 3.56Å; W308-F311 AromaticContact CZ3-CE1 3.82Å; W308-F311 HydrophobicContact CZ3-CE1 3.82Å; W308-F311 PolarHBondContact O-N 2.92Å; S309-F311 VanDerWaalsContact C-N 3.34Å; S309-F311 PolarHBondContact O-N 2.87Å; F311-A313 VanDerWaalsContact C-N 3.3Å; F311-A313 PolarHBondContact O-N 3.12Å; F311-V314 WeakPolarHBondContact O-CB 3.31Å; F311-V314 PolarHBondContact O-N 2.87Å; F311-L315 HydrophobicContact CD1-CD1 4.3Å; F311-L315 HydrophobicContact CE1-CD1 3.6Å; F311-L315 HydrophobicContact CE1-CG 4.17Å; F311-L315 HydrophobicContact CE2-CD2 4.43Å; F311-L315 HydrophobicContact CE2-CG 4.41Å; F311-L315 HydrophobicContact CZ-CD1 3.78Å; F311-L315 HydrophobicContact CZ-CD2 4.18Å; F311-L315 HydrophobicContact CZ-CG 4.04Å; F311-L315 PolarHBondContact O-N 2.88Å; F311-F398 HydrophobicContact CD1-CZ 4.28Å; F311-F398 HydrophobicContact CE1-CE1 4.32Å; F311-F398 AromaticContact CE1-CZ 3.6Å; F311-F398 HydrophobicContact CE1-CZ 3.6Å; F311-F398 HydrophobicContact CE2-CE1 4.2Å; F311-F398 HydrophobicContact CE2-CZ 4.23Å; F311-F398 AromaticContact CZ-CE1 3.82Å; F311-F398 HydrophobicContact CZ-CE1 3.82Å; F311-F398 AromaticContact CZ-CZ 3.57Å; F311-F398 HydrophobicContact CZ-CZ 3.57Å
312	K	96.5	Very high	95.1	Very high	66 Å²	66	44.9 Å²	44.9	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-60.4	-40	173.3	-69.4	-169.2	-62	179.9	0	112	W308 S309 V314 L315 S316 L382 I385	W308-K312 HydrophobicContact CZ2-CD 4.44Å; W308-K312 HydrophobicContact CZ2-CG 4.43Å; W308-K312 PolarHBondContact O-N 3.31Å; S309-K312 PolarHBondContact O-N 3.17Å; K312-V314 VanDerWaalsContact C-N 3.34Å; K312-V314 PolarHBondContact O-N 3.34Å; K312-L315 PolarHBondContact O-N 3.09Å; K312-S316 WeakPolarHBondContact O-CB 3.17Å; K312-S316 PolarHBondContact O-N 2.99Å; K312-L382 HydrophobicContact CB-CD2 4.5Å; K312-I385 HydrophobicContact CD-CG2 4.01Å; K312-I385 HydrophobicContact CG-CD1 4.41Å
313	A	97.7	Very high	95.1	Very high	33 Å²	33	37.9 Å²	37.9	27%	0.273	22%	0.224	S	C	.	.	H	α-helix	trans	-63.5	-38.9	175.7	0	0	0	0	0	112.1	L301 S309 N310 F311 S316 A317	L301-A313 HydrophobicContact CD2-CB 3.69Å; S309-A313 PolarHBondContact O-N 3.22Å; N310-A313 WeakPolarHBondContact O-CB 3.33Å; N310-A313 PolarHBondContact O-N 3.31Å; F311-A313 VanDerWaalsContact C-N 3.3Å; F311-A313 PolarHBondContact O-N 3.12Å; A313-S316 PolarHBondContact O-N 3.2Å; A313-A317 WeakPolarHBondContact O-CB 3.37Å; A313-A317 PolarHBondContact O-N 3.08Å
314	V	98.5	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-48	172.7	170.8	0	0	0	0	111.3	V263 L267 F291 V292 L295 L301 N310 F311 K312 S316 A317 I318	V263-V314 HydrophobicContact CG1-CG2 3.79Å; L267-V314 HydrophobicContact CD1-CG1 4.02Å; L267-V314 HydrophobicContact CD2-CG1 4Å; F291-V314 HydrophobicContact CD1-CG1 4.32Å; F291-V314 HydrophobicContact CE1-CG1 4.24Å; V292-V314 HydrophobicContact CG2-CG2 4.13Å; L295-V314 HydrophobicContact CD1-CB 4.41Å; L295-V314 HydrophobicContact CD1-CG2 3.94Å; L301-V314 HydrophobicContact CD1-CG2 4.06Å; L301-V314 HydrophobicContact CD2-CG2 4.03Å; N310-V314 WeakPolarHBondContact O-CG2 3.37Å; N310-V314 PolarHBondContact O-N 3.2Å; F311-V314 WeakPolarHBondContact O-CB 3.31Å; F311-V314 PolarHBondContact O-N 2.87Å; K312-V314 VanDerWaalsContact C-N 3.34Å; K312-V314 PolarHBondContact O-N 3.34Å; V314-S316 VanDerWaalsContact C-N 3.31Å; V314-S316 PolarHBondContact O-N 3.39Å; V314-A317 PolarHBondContact O-N 3.3Å; V314-I318 HydrophobicContact CG1-CD1 4.14Å; V314-I318 WeakPolarHBondContact O-CG1 3.47Å; V314-I318 PolarHBondContact O-N 3.35Å
315	L	98.3	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-42.6	176.4	-66.8	-177.8	0	0	0	111.5	W270 F311 K312 A317 I318 V319 A378 L382 I385	W270-L315 HydrophobicContact CD2-CD2 4.04Å; W270-L315 HydrophobicContact CE3-CD2 4.14Å; W270-L315 HydrophobicContact CH2-CD2 3.92Å; W270-L315 HydrophobicContact CZ2-CD2 3.79Å; W270-L315 HydrophobicContact CZ3-CD2 4.08Å; F311-L315 HydrophobicContact CD1-CD1 4.3Å; F311-L315 HydrophobicContact CE1-CD1 3.6Å; F311-L315 HydrophobicContact CE1-CG 4.17Å; F311-L315 HydrophobicContact CE2-CD2 4.43Å; F311-L315 HydrophobicContact CE2-CG 4.41Å; F311-L315 HydrophobicContact CZ-CD1 3.78Å; F311-L315 HydrophobicContact CZ-CD2 4.18Å; F311-L315 HydrophobicContact CZ-CG 4.04Å; F311-L315 PolarHBondContact O-N 2.88Å; K312-L315 PolarHBondContact O-N 3.09Å; L315-A317 PolarHBondContact O-N 3Å; L315-I318 WeakPolarHBondContact O-CB 3.42Å; L315-I318 PolarHBondContact O-N 3.2Å; L315-V319 WeakPolarHBondContact O-CG2 3.28Å; L315-V319 PolarHBondContact O-N 3.14Å; L315-A378 HydrophobicContact CB-CB 4.36Å; L315-A378 HydrophobicContact CD2-CB 4.07Å; L315-L382 HydrophobicContact CB-CD1 4.15Å; L315-L382 HydrophobicContact CB-CD2 3.98Å; L315-L382 HydrophobicContact CB-CG 3.96Å; L315-L382 HydrophobicContact CD1-CD2 4.3Å; L315-L382 HydrophobicContact CD1-CG 4.43Å; L315-I385 HydrophobicContact CD1-CD1 4.46Å
316	S	98.2	Very high	95.4	Very high	47 Å²	47	41.2 Å²	41.2	33%	0.329	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-43.3	176.6	-175.7	0	0	0	0	111.9	K312 A313 V314 I318 V319 H320	K312-S316 WeakPolarHBondContact O-CB 3.17Å; K312-S316 PolarHBondContact O-N 2.99Å; A313-S316 PolarHBondContact O-N 3.2Å; V314-S316 VanDerWaalsContact C-N 3.31Å; V314-S316 PolarHBondContact O-N 3.39Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3.03Å; S316-V319 PolarHBondContact O-N 3.28Å; S316-H320 PolarHBondContact O-N 3.03Å; S316-H320 PolarHBondContact O-ND1 3.39Å
317	A	98.1	Very high	95.4	Very high	11 Å²	11	40 Å²	40	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-41.2	175.7	0	0	0	0	0	111.8	F291 L295 A313 V314 L315 H320 L321	F291-A317 HydrophobicContact CE1-CB 4.46Å; F291-A317 HydrophobicContact CZ-CB 4.26Å; L295-A317 HydrophobicContact CD1-CB 3.83Å; L295-A317 HydrophobicContact CD2-CB 3.74Å; L295-A317 HydrophobicContact CG-CB 4.46Å; A313-A317 WeakPolarHBondContact O-CB 3.37Å; A313-A317 PolarHBondContact O-N 3.08Å; V314-A317 PolarHBondContact O-N 3.3Å; L315-A317 PolarHBondContact O-N 3Å; A317-H320 PolarHBondContact O-N 3.1Å; A317-L321 WeakPolarHBondContact O-CB 3.32Å; A317-L321 PolarHBondContact O-N 3.45Å
318	I	98	Very high	95.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-51.1	174.5	-71.5	170.4	0	0	0	110.5	L267 W270 F291 V314 L315 S316 H320 L321 W371 V374 Q375 A378	L267-I318 HydrophobicContact CD1-CD1 4.11Å; W270-I318 HydrophobicContact CZ3-CD1 4.44Å; F291-I318 HydrophobicContact CE1-CD1 4.39Å; F291-I318 HydrophobicContact CE1-CG1 3.69Å; F291-I318 HydrophobicContact CZ-CG1 4.11Å; V314-I318 HydrophobicContact CG1-CD1 4.14Å; V314-I318 WeakPolarHBondContact O-CG1 3.47Å; V314-I318 PolarHBondContact O-N 3.35Å; L315-I318 WeakPolarHBondContact O-CB 3.42Å; L315-I318 PolarHBondContact O-N 3.2Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3.03Å; I318-H320 VanDerWaalsContact C-N 3.29Å; I318-H320 PolarHBondContact O-N 2.83Å; I318-L321 PolarHBondContact O-N 3.18Å; I318-W371 HydrophobicContact CB-CH2 4.43Å; I318-W371 HydrophobicContact CG1-CH2 4.1Å; I318-W371 HydrophobicContact CG2-CH2 4.25Å; I318-W371 HydrophobicContact CG2-CZ2 4.43Å; I318-V374 HydrophobicContact CD1-CG1 4.25Å; I318-V374 HydrophobicContact CG2-CG1 3.74Å; I318-Q375 HydrophobicContact CG2-CG 4.23Å; I318-Q375 WeakPolarHBondContact O-CG 3.4Å; I318-Q375 PolarHBondContact O-NE2 3.09Å; I318-A378 HydrophobicContact CB-CB 4.15Å; I318-A378 HydrophobicContact CG2-CB 3.7Å
319	V	97.9	Very high	95.4	Very high	38 Å²	38	41.3 Å²	41.3	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-55.7	-43.9	-178.1	170	0	0	0	0	111.8	L315 S316 Q375 A378 L382	L315-V319 WeakPolarHBondContact O-CG2 3.28Å; L315-V319 PolarHBondContact O-N 3.14Å; S316-V319 PolarHBondContact O-N 3.28Å; V319-Q375 PolarHBondContact O-NE2 3.1Å; V319-Q375 VanDerWaalsContact O-NE2 3.13Å; V319-A378 HydrophobicContact CG2-CB 3.67Å; V319-L382 HydrophobicContact CG2-CD1 4.04Å
320	H	96.7	Very high	95.2	Very high	144 Å²	144	40.5 Å²	40.5	67%	0.667	23%	0.226	S	C	*	.	H	α-helix	trans	-91.3	-18.8	-172	-60.9	93.8	0	0	0	114.2	S316 A317 I318 N322	S316-H320 PolarHBondContact O-N 3.03Å; S316-H320 PolarHBondContact O-ND1 3.39Å; A317-H320 PolarHBondContact O-N 3.1Å; I318-H320 VanDerWaalsContact C-N 3.29Å; I318-H320 PolarHBondContact O-N 2.83Å; H320-N322 PolarHBondContact O-N 3Å
321	L	95.7	Very high	94.7	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.178	23%	0.234	C	C	.	.			trans	-75.9	108	-177.4	175.7	68.5	0	0	0	111.8	F291 A317 I318 M323 I328 W371 Q375	F291-L321 HydrophobicContact CE2-CD2 3.64Å; F291-L321 HydrophobicContact CZ-CD2 4.1Å; A317-L321 WeakPolarHBondContact O-CB 3.32Å; A317-L321 PolarHBondContact O-N 3.45Å; I318-L321 PolarHBondContact O-N 3.18Å; L321-M323 HydrophobicContact CD2-CB 4.42Å; L321-M323 HydrophobicContact CD2-CE 3.97Å; L321-M323 HydrophobicContact CG-CB 4.32Å; L321-M323 PolarHBondContact O-N 2.88Å; L321-I328 HydrophobicContact CD1-CD1 4.47Å; L321-I328 HydrophobicContact CD2-CD1 3.49Å; L321-I328 VanDerWaalsContact CD2-CD1 3.49Å; L321-I328 HydrophobicContact CD2-CG1 4.46Å; L321-W371 HydrophobicContact CB-CZ2 4.14Å; L321-W371 HydrophobicContact CD2-CH2 4.24Å; L321-W371 HydrophobicContact CD2-CZ2 3.82Å; L321-W371 HydrophobicContact CG-CZ2 4.18Å; L321-W371 PolarHBondContact O-NE1 2.9Å; L321-Q375 PolarHBondContact O-NE2 2.7Å
322	N	93.9	Very high	93.8	Very high	81 Å²	81	44 Å²	44	43%	0.433	25%	0.252	S	S	.	.			trans	-85.8	85	165.8	-172.1	-16.2	0	0	0	110.6	H320 K324 V325 T326	H320-N322 PolarHBondContact O-N 3Å; N322-K324 PolarHBondContact O-N 3.13Å; N322-K324 PolarHBondContact OD1-N 2.92Å; N322-V325 WeakPolarHBondContact ND2-CG2 3.41Å; N322-V325 PolarHBondContact O-N 3.5Å; N322-V325 VanDerWaalsContact O-N 3.15Å; N322-V325 PolarHBondContact OD1-N 2.68Å; N322-T326 PolarHBondContact O-N 3.38Å
323	M	91.7	Very high	92.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.8	-175.8	-168.5	-174	-58.3	0	0	113.9	F287 L321 T326 I328 L351 F353 C363 W371	F287-M323 HydrophobicContact CE2-CE 4.16Å; F287-M323 HydrophobicContact CZ-CE 4.03Å; L321-M323 HydrophobicContact CD2-CB 4.42Å; L321-M323 HydrophobicContact CD2-CE 3.97Å; L321-M323 HydrophobicContact CG-CB 4.32Å; L321-M323 PolarHBondContact O-N 2.88Å; M323-T326 WeakPolarHBondContact CA-O 3.27Å; M323-I328 HydrophobicContact CE-CD1 4.29Å; M323-L351 HydrophobicContact CB-CD2 4.18Å; M323-L351 HydrophobicContact CG-CD2 4.49Å; M323-L351 HydrophobicContact SD-CB 4.06Å; M323-F353 HydrophobicContact SD-CB 4.39Å; M323-C363 VanDerWaalsContact SD-SG 3.61Å; M323-W371 HydrophobicContact CE-CD2 4.16Å; M323-W371 HydrophobicContact CE-CE3 4.02Å; M323-W371 HydrophobicContact CE-CH2 3.82Å; M323-W371 HydrophobicContact CE-CZ2 3.97Å; M323-W371 HydrophobicContact CE-CZ3 3.85Å
324	K	89	Confident	91.2	Very high	103 Å²	103	54 Å²	54	45%	0.448	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-37.2	174.8	-176.9	173.9	-176.1	177.1	0	111.8	N322 L351 E368	N322-K324 PolarHBondContact O-N 3.13Å; N322-K324 PolarHBondContact OD1-N 2.92Å; K324-L351 HydrophobicContact CB-CD2 4.14Å; K324-E368 HydrophobicContact CD-CG 4.24Å; K324-E368 VanDerWaalsContact CD-OE2 3.26Å; K324-E368 WeakPolarHBondContact CD-OE2 3.3Å; K324-E368 WeakPolarHBondContact CE-OE2 3.16Å; K324-E368 IonicContact NZ-OE1 3.18Å; K324-E368 IonicContact NZ-OE2 3.48Å; K324-E368 PolarHBondContact NZ-OE2 2.58Å
325	V	91.6	Very high	89.6	Confident	102 Å²	102	57.3 Å²	57.3	62%	0.618	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-41.3	178.5	178.6	0	0	0	0	110.8	N322 P327	N322-V325 WeakPolarHBondContact ND2-CG2 3.41Å; N322-V325 PolarHBondContact O-N 3.5Å; N322-V325 VanDerWaalsContact O-N 3.15Å; N322-V325 PolarHBondContact OD1-N 2.68Å; V325-P327 VanDerWaalsContact O-CD 3.29Å; V325-P327 WeakPolarHBondContact O-CD 3.45Å
326	T	91.9	Very high	87.8	Confident	80 Å²	80	61.5 Å²	61.5	49%	0.491	35%	0.348	S	S	.	.	S	Bend	trans	-112.7	91.9	-174.8	-49.3	0	0	0	0	110.1	N322 M323	N322-T326 PolarHBondContact O-N 3.38Å; M323-T326 WeakPolarHBondContact CA-O 3.27Å
327	P	92.9	Very high	85.6	Confident	36 Å²	36	67 Å²	67	23%	0.234	38%	0.379	C	S	.	.			trans	-65.8	148.9	177.4	29.1	-35.4	0	0	0	111	V325 I342 V352	V325-P327 VanDerWaalsContact O-CD 3.29Å; V325-P327 WeakPolarHBondContact O-CD 3.45Å; P327-I342 HydrophobicContact CB-CG2 3.89Å; P327-I342 HydrophobicContact CG-CG2 3.57Å; P327-V352 HydrophobicContact CB-CB 3.84Å; P327-V352 HydrophobicContact CB-CG1 3.94Å
328	I	94.5	Very high	83.8	Confident	5 Å²	5	70.5 Å²	70.5	3%	0.026	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.7	174.1	-64.3	169.2	0	0	0	109.4	F291 H294 L321 M323 V352 F353 I354	F291-I328 HydrophobicContact CD2-CD1 4.23Å; F291-I328 HydrophobicContact CE2-CD1 3.97Å; H294-I328 HydrophobicContact CB-CG2 4.42Å; L321-I328 HydrophobicContact CD1-CD1 4.47Å; L321-I328 HydrophobicContact CD2-CD1 3.49Å; L321-I328 VanDerWaalsContact CD2-CD1 3.49Å; L321-I328 HydrophobicContact CD2-CG1 4.46Å; M323-I328 HydrophobicContact CE-CD1 4.29Å; I328-V352 PolarHBondContact N-O 3.19Å; I328-F353 HydrophobicContact CB-CB 4.5Å; I328-F353 HydrophobicContact CB-CD2 3.72Å; I328-F353 HydrophobicContact CB-CE2 4.14Å; I328-F353 HydrophobicContact CB-CG 4.14Å; I328-F353 HydrophobicContact CG2-CD2 3.42Å; I328-F353 VanDerWaalsContact CG2-CD2 3.42Å; I328-F353 HydrophobicContact CG2-CE2 3.34Å; I328-F353 HydrophobicContact CG2-CG 4.25Å; I328-F353 HydrophobicContact CG2-CZ 4.09Å; I328-F353 CarbonylContact O-C 3.58Å; I328-F353 WeakPolarHBondContact O-CA 3.45Å; I328-I354 PolarHBondContact O-N 3.19Å
329	S	92.9	Very high	82.5	Confident	42 Å²	42	72.5 Å²	72.5	29%	0.294	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131.7	167.6	-175.1	0	0	0	0	110.8	G331	S329-G331 PolarHBondContact OG-N 2.84Å
330	I	91.9	Very high	81.9	Confident	22 Å²	22	71.8 Å²	71.8	11%	0.113	41%	0.41	C	S	.	.			trans	-96.3	-21	167.1	-67.8	168.2	0	0	0	111	Y252 M290 H294 F353 I354 P356	Y252-I330 HydrophobicContact CE1-CG2 4.18Å; Y252-I330 HydrophobicContact CE2-CG2 3.83Å; Y252-I330 VanDerWaalsContact CZ-CG2 3.49Å; Y252-I330 VanDerWaalsContact OH-CG2 3.24Å; Y252-I330 WeakPolarHBondContact OH-CG2 2.94Å; M290-I330 HydrophobicContact CB-CD1 3.97Å; M290-I330 HydrophobicContact CG-CD1 4.42Å; M290-I330 HydrophobicContact SD-CD1 3.7Å; H294-I330 HydrophobicContact CB-CD1 4.28Å; H294-I330 HydrophobicContact CB-CG1 4.24Å; I330-F353 HydrophobicContact CD1-CE2 3.61Å; I330-F353 HydrophobicContact CD1-CZ 3.91Å; I330-F353 HydrophobicContact CG1-CE2 3.95Å; I330-I354 PolarHBondContact N-O 2.97Å; I330-P356 HydrophobicContact CG2-CB 4.2Å; I330-P356 HydrophobicContact CG2-CG 3.85Å
331	G	85.1	Confident	81.6	Confident	19 Å²	19	67.6 Å²	67.6	20%	0.196	40%	0.396	C	S	.	.	S	Bend	trans	-66.5	-175.1	-176.6	0	0	0	0	0	114.4	S329 D355	S329-G331 PolarHBondContact OG-N 2.84Å; G331-D355 WeakPolarHBondContact CA-O 3.39Å; G331-D355 PolarHBondContact N-O 2.96Å
332	P	78.9	Confident	81.3	Confident	58 Å²	58	67.7 Å²	67.7	38%	0.377	40%	0.397	S	S	.	.	S	Bend	trans	-59.2	158.1	-179.9	-16.1	28.5	0	0	0	111.9	D336	P332-D336 WeakPolarHBondContact CB-OD2 3.27Å
333	K	75.2	Confident	81.1	Confident	182 Å²	182	66 Å²	66	79%	0.791	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-64.4	148.4	-179.1	-70.3	-175.4	179.2	179.9	0	110.6	G335 N339	K333-G335 PolarHBondContact O-N 3.49Å; K333-N339 PolarHBondContact O-ND2 2.67Å
334	E	65.1	Low	81.1	Confident	127 Å²	127	66.5 Å²	66.5	59%	0.593	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	130.4	176.9	-160.1	164.9	-148.4	0	0	109.9	I342	E334-I342 PolarHBondContact OE1-N 3.09Å; E334-I342 VanDerWaalsContact OE1-N 3.14Å
335	G	63.1	Low	81.4	Confident	70 Å²	70	61.6 Å²	61.6	72%	0.722	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.3	-15	-176.6	0	0	0	0	0	115.8	K333 V337	K333-G335 PolarHBondContact O-N 3.49Å; G335-V337 PolarHBondContact O-N 2.88Å
336	D	62.2	Low	81.5	Confident	89 Å²	89	61 Å²	61	48%	0.476	37%	0.367	S	S	.	.			trans	-67.2	133.8	170.9	-66.8	-34.4	0	0	0	110.1	P332 S338 N339	P332-D336 WeakPolarHBondContact CB-OD2 3.27Å; D336-S338 PolarHBondContact O-N 3.34Å; D336-N339 PolarHBondContact O-N 3.38Å
337	V	52.3	Low	81.5	Confident	161 Å²	161	64.6 Å²	64.6	98%	0.976	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.2	-168.7	-173.9	0	0	0	0	114.1	G335	G335-V337 PolarHBondContact O-N 2.88Å
338	S	59.7	Low	81.5	Confident	85 Å²	85	65 Å²	65	59%	0.594	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	3.8	-179.5	54	0	0	0	0	115.7	D336 F359	D336-S338 PolarHBondContact O-N 3.34Å; S338-F359 WeakPolarHBondContact O-CZ 3.11Å
339	N	71	Confident	81.5	Confident	43 Å²	43	65.5 Å²	65.5	23%	0.23	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-95.7	146.7	-169.2	-67.9	-3.8	0	0	0	114.6	K333 D336	K333-N339 PolarHBondContact O-ND2 2.67Å; D336-N339 PolarHBondContact O-N 3.38Å
340	V	85.3	Confident	81.4	Confident	23 Å²	23	66.8 Å²	66.8	14%	0.139	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-81.6	130.4	164.4	179	0	0	0	0	107.9	A209 P210 F345 F359	A209-V340 HydrophobicContact CB-CG1 4.25Å; A209-V340 HydrophobicContact CB-CG2 3.64Å; P210-V340 HydrophobicContact CG-CG1 4.46Å; V340-F345 HydrophobicContact CB-CE2 3.77Å; V340-F345 HydrophobicContact CB-CZ 4.24Å; V340-F345 HydrophobicContact CG1-CD2 4.02Å; V340-F345 HydrophobicContact CG1-CE2 3.48Å; V340-F345 VanDerWaalsContact CG1-CE2 3.48Å; V340-F345 HydrophobicContact CG1-CZ 4.01Å; V340-F359 HydrophobicContact CG2-CD1 3.76Å; V340-F359 HydrophobicContact CG2-CE1 3.84Å
341	S	88.9	Confident	81.6	Confident	56 Å²	56	65.8 Å²	65.8	39%	0.392	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-64.7	148.4	-179.7	63.1	0	0	0	0	112	A343 S344 F345	S341-A343 PolarHBondContact O-N 3.5Å; S341-S344 WeakPolarHBondContact O-CB 3.21Å; S341-S344 PolarHBondContact O-N 3.12Å; S341-S344 VanDerWaalsContact O-N 3.14Å; S341-S344 PolarHBondContact OG-N 3.05Å; S341-F345 WeakPolarHBondContact O-CD2 3.44Å
342	I	89.9	Confident	82.1	Confident	37 Å²	37	65 Å²	65	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-36.6	176.5	-63.7	177.6	0	0	0	110.3	P327 E334 S344 F345 Q346 I354	P327-I342 HydrophobicContact CB-CG2 3.89Å; P327-I342 HydrophobicContact CG-CG2 3.57Å; E334-I342 PolarHBondContact OE1-N 3.09Å; E334-I342 VanDerWaalsContact OE1-N 3.14Å; I342-S344 VanDerWaalsContact C-N 3.29Å; I342-S344 PolarHBondContact O-N 3.12Å; I342-F345 WeakPolarHBondContact O-CB 3.12Å; I342-F345 PolarHBondContact O-N 3.14Å; I342-Q346 HydrophobicContact CG2-CG 4.33Å; I342-Q346 PolarHBondContact O-N 3Å; I342-I354 HydrophobicContact CG1-CD1 3.89Å
343	A	90.9	Very high	82.9	Confident	45 Å²	45	62.3 Å²	62.3	37%	0.372	35%	0.35	S	S	.	.	H	α-helix	trans	-55.4	-41.4	175.3	0	0	0	0	0	112.7	S341 F345 Q346 E347	S341-A343 PolarHBondContact O-N 3.5Å; A343-F345 VanDerWaalsContact C-N 3.27Å; A343-F345 PolarHBondContact O-N 3.24Å; A343-Q346 PolarHBondContact O-N 3.31Å; A343-Q346 VanDerWaalsContact O-N 3.15Å; A343-E347 WeakPolarHBondContact O-CG 3.24Å; A343-E347 PolarHBondContact O-N 3.49Å
344	S	91.8	Very high	83.9	Confident	12 Å²	12	53.9 Å²	53.9	8%	0.084	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-36	177.2	-179	0	0	0	0	112.2	S341 I342 N348	S341-S344 WeakPolarHBondContact O-CB 3.21Å; S341-S344 PolarHBondContact O-N 3.12Å; S341-S344 VanDerWaalsContact O-N 3.14Å; S341-S344 PolarHBondContact OG-N 3.05Å; I342-S344 VanDerWaalsContact C-N 3.29Å; I342-S344 PolarHBondContact O-N 3.12Å; S344-N348 PolarHBondContact O-ND2 2.87Å
345	F	93.9	Very high	85.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.3	-44.9	173.3	-70.3	-83.7	0	0	0	111.9	P210 V340 S341 I342 A343 E347 N348 F349 V352 I354 F359 N361	P210-F345 HydrophobicContact CG-CD1 3.45Å; P210-F345 VanDerWaalsContact CG-CD1 3.45Å; P210-F345 HydrophobicContact CG-CD2 4.47Å; P210-F345 HydrophobicContact CG-CE1 3.54Å; P210-F345 HydrophobicContact CG-CG 3.96Å; P210-F345 HydrophobicContact CG-CZ 4.11Å; V340-F345 HydrophobicContact CB-CE2 3.77Å; V340-F345 HydrophobicContact CB-CZ 4.24Å; V340-F345 HydrophobicContact CG1-CD2 4.02Å; V340-F345 HydrophobicContact CG1-CE2 3.48Å; V340-F345 VanDerWaalsContact CG1-CE2 3.48Å; V340-F345 HydrophobicContact CG1-CZ 4.01Å; S341-F345 WeakPolarHBondContact O-CD2 3.44Å; I342-F345 WeakPolarHBondContact O-CB 3.12Å; I342-F345 PolarHBondContact O-N 3.14Å; A343-F345 VanDerWaalsContact C-N 3.27Å; A343-F345 PolarHBondContact O-N 3.24Å; F345-E347 VanDerWaalsContact C-N 3.27Å; F345-E347 PolarHBondContact O-N 2.98Å; F345-N348 PolarHBondContact O-N 2.68Å; F345-F349 HydrophobicContact CB-CD2 4.41Å; F345-F349 HydrophobicContact CD1-CD2 4.1Å; F345-F349 HydrophobicContact CD1-CE2 4.01Å; F345-F349 WeakPolarHBondContact O-CD2 3.48Å; F345-F349 PolarHBondContact O-N 3.39Å; F345-V352 HydrophobicContact CB-CB 4.48Å; F345-V352 HydrophobicContact CB-CG1 3.82Å; F345-V352 HydrophobicContact CB-CG2 3.77Å; F345-V352 HydrophobicContact CG-CG1 4.4Å; F345-I354 HydrophobicContact CD2-CD1 3.77Å; F345-I354 HydrophobicContact CD2-CG1 4.32Å; F345-I354 HydrophobicContact CE2-CD1 3.89Å; F345-I354 HydrophobicContact CE2-CG1 4.35Å; F345-I354 HydrophobicContact CG-CD1 4.44Å; F345-F359 WeakPolarHBondContact CE1-O 3.42Å; F345-F359 WeakPolarHBondContact CZ-O 3.4Å; F345-N361 HydrophobicContact CD1-CB 3.88Å; F345-N361 HydrophobicContact CE1-CB 4.06Å
346	Q	93.4	Very high	86.6	Confident	89 Å²	89	46 Å²	46	42%	0.416	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-29.6	-179.3	-69	179.8	-62.7	0	0	113.1	I342 A343 N348 V352	I342-Q346 HydrophobicContact CG2-CG 4.33Å; I342-Q346 PolarHBondContact O-N 3Å; A343-Q346 PolarHBondContact O-N 3.31Å; A343-Q346 VanDerWaalsContact O-N 3.15Å; Q346-N348 VanDerWaalsContact C-N 3.27Å; Q346-N348 PolarHBondContact O-N 3.16Å; Q346-V352 HydrophobicContact CG-CG2 3.87Å
347	E	92.8	Very high	88.1	Confident	156 Å²	156	43 Å²	43	73%	0.729	25%	0.246	S	C	*	.	H	α-helix	trans	-67.9	-25.1	173.5	-75	173.5	-173.7	0	0	113.2	A343 F345	A343-E347 WeakPolarHBondContact O-CG 3.24Å; A343-E347 PolarHBondContact O-N 3.49Å; F345-E347 VanDerWaalsContact C-N 3.27Å; F345-E347 PolarHBondContact O-N 2.98Å
348	N	92.5	Very high	90	Very high	43 Å²	43	35.7 Å²	35.7	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-112.4	-17.7	-172	-72.2	-82	0	0	0	114.3	P210 P234 S344 F345 Q346	P210-N348 HydrophobicContact CB-CB 3.95Å; P234-N348 HydrophobicContact CB-CB 4Å; P234-N348 HydrophobicContact CG-CB 4.28Å; S344-N348 PolarHBondContact O-ND2 2.87Å; F345-N348 PolarHBondContact O-N 2.68Å; Q346-N348 VanDerWaalsContact C-N 3.27Å; Q346-N348 PolarHBondContact O-N 3.16Å
349	F	94.1	Very high	91.6	Very high	17 Å²	17	32.7 Å²	32.7	8%	0.075	18%	0.179	C	C	.	.			trans	-134.2	143.2	-176.1	-57.1	-71.6	0	0	0	111.8	P210 P234 L235 Q238 F345 L351 N361	P210-F349 HydrophobicContact CB-CE2 4.01Å; P210-F349 HydrophobicContact CG-CE2 4.02Å; P234-F349 HydrophobicContact CB-CE1 4.01Å; P234-F349 HydrophobicContact CB-CE2 4.27Å; P234-F349 HydrophobicContact CB-CZ 3.59Å; L235-F349 HydrophobicContact CD2-CE1 4.09Å; Q238-F349 HydrophobicContact CG-CE1 4.23Å; Q238-F349 HydrophobicContact CG-CE2 4.17Å; Q238-F349 HydrophobicContact CG-CZ 3.47Å; Q238-F349 VanDerWaalsContact CG-CZ 3.47Å; F345-F349 HydrophobicContact CB-CD2 4.41Å; F345-F349 HydrophobicContact CD1-CD2 4.1Å; F345-F349 HydrophobicContact CD1-CE2 4.01Å; F345-F349 WeakPolarHBondContact O-CD2 3.48Å; F345-F349 PolarHBondContact O-N 3.39Å; F349-L351 VanDerWaalsContact C-N 3.35Å; F349-N361 WeakPolarHBondContact CB-ND2 3.48Å; F349-N361 HydrophobicContact CD2-CB 4.38Å; F349-N361 WeakPolarHBondContact CD2-ND2 2.89Å; F349-N361 HydrophobicContact CE2-CB 4.4Å; F349-N361 VanDerWaalsContact CG-ND2 3.34Å; F349-N361 WeakPolarHBondContact CG-ND2 3.31Å
350	E	92.5	Very high	92.8	Very high	68 Å²	68	31 Å²	31	32%	0.318	17%	0.17	S	C	.	.	S	Bend	trans	-67.8	-35.6	177	-65.6	-178.9	-170	0	0	112.5	T367 E368 S447	E350-T367 WeakPolarHBondContact OE2-CA 3.4Å; E350-T367 WeakPolarHBondContact OE2-CB 3.43Å; E350-E368 PolarHBondContact OE2-N 3.32Å; E350-S447 PolarHBondContact OE1-OG 3.42Å
351	L	95.2	Very high	93.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-128.2	138.6	-177.9	-58.7	179.8	0	0	0	109.9	M323 K324 F349 N361 C363 C366 T367 W371	M323-L351 HydrophobicContact CB-CD2 4.18Å; M323-L351 HydrophobicContact CG-CD2 4.49Å; M323-L351 HydrophobicContact SD-CB 4.06Å; K324-L351 HydrophobicContact CB-CD2 4.14Å; F349-L351 VanDerWaalsContact C-N 3.35Å; L351-N361 PolarHBondContact O-ND2 3.13Å; L351-C363 HydrophobicContact CB-CB 3.91Å; L351-C366 HydrophobicContact CD1-CB 4.34Å; L351-T367 WeakPolarHBondContact CD1-O 3.47Å; L351-W371 HydrophobicContact CD1-CB 3.65Å; L351-W371 HydrophobicContact CD1-CG 4.31Å
352	V	95.6	Very high	93.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.024	15%	0.15	C	C	.	.			trans	-126.6	114.8	-175.4	177.8	0	0	0	0	110.1	P327 I328 F345 Q346 I354	P327-V352 HydrophobicContact CB-CB 3.84Å; P327-V352 HydrophobicContact CB-CG1 3.94Å; I328-V352 PolarHBondContact N-O 3.19Å; F345-V352 HydrophobicContact CB-CB 4.48Å; F345-V352 HydrophobicContact CB-CG1 3.82Å; F345-V352 HydrophobicContact CB-CG2 3.77Å; F345-V352 HydrophobicContact CG-CG1 4.4Å; Q346-V352 HydrophobicContact CG-CG2 3.87Å; V352-I354 HydrophobicContact CG1-CD1 4.02Å; V352-I354 HydrophobicContact CG1-CG1 3.69Å
353	F	96	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	98.9	169.3	-173.3	177.5	0	0	0	108.8	F287 M290 F291 H294 M323 I328 I330 N361 I362 C363	F287-F353 AromaticContact CD2-CD1 3.96Å; F287-F353 HydrophobicContact CD2-CD1 3.96Å; F287-F353 HydrophobicContact CD2-CE1 4.4Å; F287-F353 AromaticContact CE2-CD1 3.68Å; F287-F353 HydrophobicContact CE2-CD1 3.68Å; F287-F353 HydrophobicContact CE2-CE1 4.25Å; F287-F353 HydrophobicContact CZ-CD1 4.32Å; M290-F353 HydrophobicContact CB-CE1 4.05Å; M290-F353 HydrophobicContact CB-CE2 4.38Å; M290-F353 HydrophobicContact CB-CZ 3.65Å; F291-F353 HydrophobicContact CB-CE1 4.05Å; F291-F353 HydrophobicContact CD2-CE1 4.17Å; H294-F353 HydrophobicContact CB-CZ 4.37Å; M323-F353 HydrophobicContact SD-CB 4.39Å; I328-F353 HydrophobicContact CB-CB 4.5Å; I328-F353 HydrophobicContact CB-CD2 3.72Å; I328-F353 HydrophobicContact CB-CE2 4.14Å; I328-F353 HydrophobicContact CB-CG 4.14Å; I328-F353 HydrophobicContact CG2-CD2 3.42Å; I328-F353 VanDerWaalsContact CG2-CD2 3.42Å; I328-F353 HydrophobicContact CG2-CE2 3.34Å; I328-F353 HydrophobicContact CG2-CG 4.25Å; I328-F353 HydrophobicContact CG2-CZ 4.09Å; I328-F353 CarbonylContact O-C 3.58Å; I328-F353 WeakPolarHBondContact O-CA 3.45Å; I330-F353 HydrophobicContact CD1-CE2 3.61Å; I330-F353 HydrophobicContact CD1-CZ 3.91Å; I330-F353 HydrophobicContact CG1-CE2 3.95Å; F353-N361 PolarHBondContact N-OD1 2.9Å; F353-N361 CarbonylContact O-C 3.52Å; F353-N361 WeakPolarHBondContact O-CA 3.39Å; F353-N361 PolarHBondContact O-OD1 3.45Å; F353-I362 HydrophobicContact CB-CB 4.38Å; F353-I362 HydrophobicContact CD1-CB 4.5Å; F353-I362 HydrophobicContact CD1-CD1 4.28Å; F353-I362 HydrophobicContact CD2-CD1 3.98Å; F353-I362 HydrophobicContact CE1-CD1 4.38Å; F353-I362 HydrophobicContact CE2-CD1 4.06Å; F353-I362 HydrophobicContact CG-CB 4.41Å; F353-I362 HydrophobicContact CG-CD1 4.1Å; F353-I362 HydrophobicContact CZ-CD1 4.29Å; F353-I362 WeakPolarHBondContact O-CB 3.28Å; F353-I362 WeakPolarHBondContact O-CG1 3.23Å; F353-I362 PolarHBondContact O-N 3.31Å; F353-C363 HydrophobicContact CB-CB 4.44Å; F353-C363 WeakPolarHBondContact CB-SG 3.09Å
354	I	95.1	Very high	93.8	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.026	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.8	-174.1	-53.7	175.3	0	0	0	110.9	I328 I330 I342 F345 V352 V360	I328-I354 PolarHBondContact O-N 3.19Å; I330-I354 PolarHBondContact N-O 2.97Å; I342-I354 HydrophobicContact CG1-CD1 3.89Å; F345-I354 HydrophobicContact CD2-CD1 3.77Å; F345-I354 HydrophobicContact CD2-CG1 4.32Å; F345-I354 HydrophobicContact CE2-CD1 3.89Å; F345-I354 HydrophobicContact CE2-CG1 4.35Å; F345-I354 HydrophobicContact CG-CD1 4.44Å; V352-I354 HydrophobicContact CG1-CD1 4.02Å; V352-I354 HydrophobicContact CG1-CG1 3.69Å; I354-V360 WeakPolarHBondContact CA-O 3.43Å
355	D	94.2	Very high	93.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.129	C	C	.	.			trans	-70.6	173.5	178.7	86.9	-51.2	0	0	0	113.2	G331 T357 G358 F359 V360 I362	G331-D355 WeakPolarHBondContact CA-O 3.39Å; G331-D355 PolarHBondContact N-O 2.96Å; D355-T357 PolarHBondContact O-N 3.09Å; D355-T357 VanDerWaalsContact O-N 3.17Å; D355-T357 PolarHBondContact OD1-N 3.25Å; D355-T357 PolarHBondContact OD1-OG1 3.09Å; D355-T357 WeakPolarHBondContact OD2-CB 3.34Å; D355-T357 WeakPolarHBondContact OD2-CG2 3.35Å; D355-T357 PolarHBondContact OD2-N 2.55Å; D355-T357 PolarHBondContact OD2-OG1 2.85Å; D355-G358 PolarHBondContact O-N 3.26Å; D355-G358 VanDerWaalsContact O-N 3.11Å; D355-G358 PolarHBondContact OD1-N 3.11Å; D355-F359 PolarHBondContact OD1-N 3.31Å; D355-V360 HydrophobicContact CB-CB 3.97Å; D355-V360 PolarHBondContact N-O 3.08Å; D355-V360 PolarHBondContact OD1-N 3.31Å; D355-I362 HydrophobicContact CB-CD1 4.22Å; D355-I362 HydrophobicContact CB-CG1 4.17Å
356	P	92.6	Very high	93.6	Very high	30 Å²	30	25.9 Å²	25.9	20%	0.195	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.4	178.9	-22.1	31.9	0	0	0	114.8	Y252 M290 I330	Y252-P356 HydrophobicContact CD1-CG 3.63Å; Y252-P356 HydrophobicContact CD2-CB 3.76Å; Y252-P356 HydrophobicContact CD2-CG 3.51Å; Y252-P356 HydrophobicContact CE1-CG 4Å; Y252-P356 HydrophobicContact CE2-CB 4.15Å; Y252-P356 HydrophobicContact CE2-CG 3.86Å; Y252-P356 HydrophobicContact CG-CB 4.08Å; Y252-P356 HydrophobicContact CG-CG 3.39Å; M290-P356 HydrophobicContact CE-CG 3.79Å; M290-P356 HydrophobicContact SD-CG 4.19Å; I330-P356 HydrophobicContact CG2-CB 4.2Å; I330-P356 HydrophobicContact CG2-CG 3.85Å
357	T	92.2	Very high	93.4	Very high	27 Å²	27	22.5 Å²	22.5	17%	0.166	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-18.9	178.2	70.7	0	0	0	0	113.1	T245 D355 F359	T245-T357 HydrophobicContact CG2-CG2 3.9Å; D355-T357 PolarHBondContact O-N 3.09Å; D355-T357 VanDerWaalsContact O-N 3.17Å; D355-T357 PolarHBondContact OD1-N 3.25Å; D355-T357 PolarHBondContact OD1-OG1 3.09Å; D355-T357 WeakPolarHBondContact OD2-CB 3.34Å; D355-T357 WeakPolarHBondContact OD2-CG2 3.35Å; D355-T357 PolarHBondContact OD2-N 2.55Å; D355-T357 PolarHBondContact OD2-OG1 2.85Å; T357-F359 WeakPolarHBondContact O-CD2 3.25Å; T357-F359 WeakPolarHBondContact O-CE2 3.48Å
358	G	92.6	Very high	93.3	Very high	7 Å²	7	17 Å²	17	7%	0.072	9%	0.092	C	C	.	.	S	Bend	trans	84.8	3.1	-177.2	0	0	0	0	0	114.6	D355	D355-G358 PolarHBondContact O-N 3.26Å; D355-G358 VanDerWaalsContact O-N 3.11Å; D355-G358 PolarHBondContact OD1-N 3.11Å
359	F	93.6	Very high	93.1	Very high	22 Å²	22	15.7 Å²	15.7	10%	0.096	9%	0.085	C	C	.	.	S	Bend	trans	-115.6	-29.1	-173.6	-66.6	-82.2	0	0	0	113.7	L205 R206 Q238 L241 S338 V340 F345 D355 T357	L205-F359 HydrophobicContact CB-CD1 4.05Å; L205-F359 HydrophobicContact CB-CD2 3.91Å; L205-F359 HydrophobicContact CB-CE1 4.2Å; L205-F359 HydrophobicContact CB-CE2 4.07Å; L205-F359 HydrophobicContact CB-CG 3.91Å; L205-F359 HydrophobicContact CB-CZ 4.21Å; L205-F359 HydrophobicContact CD1-CD2 3.66Å; L205-F359 HydrophobicContact CD1-CE2 3.98Å; L205-F359 HydrophobicContact CD1-CG 4.32Å; L205-F359 HydrophobicContact CG-CD2 4.46Å; R206-F359 HydrophobicContact CB-CE1 4.18Å; Q238-F359 PolarHBondContact NE2-O 3.14Å; Q238-F359 VanDerWaalsContact NE2-O 3.12Å; L241-F359 HydrophobicContact CD1-CB 4.19Å; L241-F359 WeakPolarHBondContact CD1-O 3.33Å; L241-F359 HydrophobicContact CD2-CB 4.08Å; S338-F359 WeakPolarHBondContact O-CZ 3.11Å; V340-F359 HydrophobicContact CG2-CD1 3.76Å; V340-F359 HydrophobicContact CG2-CE1 3.84Å; F345-F359 WeakPolarHBondContact CE1-O 3.42Å; F345-F359 WeakPolarHBondContact CZ-O 3.4Å; D355-F359 PolarHBondContact OD1-N 3.31Å; T357-F359 WeakPolarHBondContact O-CD2 3.25Å; T357-F359 WeakPolarHBondContact O-CE2 3.48Å
360	V	95.4	Very high	93	Very high	7 Å²	7	16 Å²	16	4%	0.042	9%	0.088	C	C	.	.			trans	-94.6	125.7	-177.9	174.8	0	0	0	0	110.2	Q238 L241 R242 T245 I354 D355	Q238-V360 VanDerWaalsContact OE1-CA 3.31Å; L241-V360 HydrophobicContact CB-CG2 3.64Å; R242-V360 HydrophobicContact CG-CG1 3.81Å; R242-V360 HydrophobicContact CG-CG2 4.48Å; T245-V360 HydrophobicContact CG2-CG2 4.25Å; T245-V360 WeakPolarHBondContact OG1-CG2 3.5Å; I354-V360 WeakPolarHBondContact CA-O 3.43Å; D355-V360 HydrophobicContact CB-CB 3.97Å; D355-V360 PolarHBondContact N-O 3.08Å; D355-V360 PolarHBondContact OD1-N 3.31Å
361	N	96	Very high	93.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-85.7	106.9	160.9	-177.4	10.2	0	0	0	108.8	F345 F349 L351 F353 C363 S364	F345-N361 HydrophobicContact CD1-CB 3.88Å; F345-N361 HydrophobicContact CE1-CB 4.06Å; F349-N361 WeakPolarHBondContact CB-ND2 3.48Å; F349-N361 HydrophobicContact CD2-CB 4.38Å; F349-N361 WeakPolarHBondContact CD2-ND2 2.89Å; F349-N361 HydrophobicContact CE2-CB 4.4Å; F349-N361 VanDerWaalsContact CG-ND2 3.34Å; F349-N361 WeakPolarHBondContact CG-ND2 3.31Å; L351-N361 PolarHBondContact O-ND2 3.13Å; F353-N361 PolarHBondContact N-OD1 2.9Å; F353-N361 CarbonylContact O-C 3.52Å; F353-N361 WeakPolarHBondContact O-CA 3.39Å; F353-N361 PolarHBondContact O-OD1 3.45Å; N361-C363 PolarHBondContact O-N 3.33Å; N361-C363 WeakPolarHBondContact OD1-CB 3.45Å; N361-C363 PolarHBondContact OD1-N 3.27Å; N361-S364 WeakPolarHBondContact O-CB 3.25Å; N361-S364 PolarHBondContact O-N 2.85Å
362	I	94.4	Very high	93.1	Very high	20 Å²	20	17 Å²	17	10%	0.103	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.3	177.3	-58.2	163.1	0	0	0	110.2	F287 M290 F353 D355	F287-I362 HydrophobicContact CB-CG2 3.94Å; F287-I362 HydrophobicContact CD2-CG2 4.03Å; F287-I362 HydrophobicContact CG-CG2 4.46Å; M290-I362 HydrophobicContact CB-CD1 3.81Å; M290-I362 HydrophobicContact CG-CD1 3.68Å; F353-I362 HydrophobicContact CB-CB 4.38Å; F353-I362 HydrophobicContact CD1-CB 4.5Å; F353-I362 HydrophobicContact CD1-CD1 4.28Å; F353-I362 HydrophobicContact CD2-CD1 3.98Å; F353-I362 HydrophobicContact CE1-CD1 4.38Å; F353-I362 HydrophobicContact CE2-CD1 4.06Å; F353-I362 HydrophobicContact CG-CB 4.41Å; F353-I362 HydrophobicContact CG-CD1 4.1Å; F353-I362 HydrophobicContact CZ-CD1 4.29Å; F353-I362 WeakPolarHBondContact O-CB 3.28Å; F353-I362 WeakPolarHBondContact O-CG1 3.23Å; F353-I362 PolarHBondContact O-N 3.31Å; D355-I362 HydrophobicContact CB-CD1 4.22Å; D355-I362 HydrophobicContact CB-CG1 4.17Å
363	C	93.8	Very high	93.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	12.4	177.8	-64.3	0	0	0	0	114.6	F287 M323 L351 F353 N361 D365 C366	F287-C363 WeakPolarHBondContact CE2-SG 3.38Å; M323-C363 VanDerWaalsContact SD-SG 3.61Å; L351-C363 HydrophobicContact CB-CB 3.91Å; F353-C363 HydrophobicContact CB-CB 4.44Å; F353-C363 WeakPolarHBondContact CB-SG 3.09Å; N361-C363 PolarHBondContact O-N 3.33Å; N361-C363 WeakPolarHBondContact OD1-CB 3.45Å; N361-C363 PolarHBondContact OD1-N 3.27Å; C363-D365 PolarHBondContact O-N 3.21Å; C363-C366 HydrophobicContact CB-CB 4.03Å; C363-C366 WeakPolarHBondContact O-CB 3.33Å; C363-C366 PolarHBondContact O-N 3.44Å
364	S	93.6	Very high	93.1	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.035	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.3	-171.2	66.7	0	0	0	0	114.9	L235 R242 N361	L235-S364 VanDerWaalsContact CD2-O 3.26Å; L235-S364 WeakPolarHBondContact CD2-O 2.89Å; R242-S364 PolarHBondContact NH2-OG 2.89Å; N361-S364 WeakPolarHBondContact O-CB 3.25Å; N361-S364 PolarHBondContact O-N 2.85Å
365	D	89	Confident	93.2	Very high	29 Å²	29	19.1 Å²	19.1	16%	0.155	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-9.2	176.1	-50.2	-65.1	0	0	0	112.9	R242 G281 C363	R242-D365 IonicContact CZ-OD2 3.21Å; R242-D365 IonicContact NH1-OD2 2.72Å; R242-D365 PolarHBondContact NH1-OD2 3.18Å; R242-D365 IonicContact NH2-OD2 3.57Å; R242-D365 PolarHBondContact NH2-OD2 3.48Å; G281-D365 VanDerWaalsContact CA-C 3.42Å; G281-D365 WeakPolarHBondContact CA-O 3.16Å; C363-D365 PolarHBondContact O-N 3.21Å
366	C	91.1	Very high	93.4	Very high	11 Å²	11	20.4 Å²	20.4	7%	0.074	11%	0.106	C	C	.	.			trans	-83.7	127.9	-178.4	-172.2	0	0	0	0	110.2	G281 L351 C363	G281-C366 PolarHBondContact O-SG 2.77Å; L351-C366 HydrophobicContact CD1-CB 4.34Å; C363-C366 HydrophobicContact CB-CB 4.03Å; C363-C366 WeakPolarHBondContact O-CB 3.33Å; C363-C366 PolarHBondContact O-N 3.44Å
367	T	89.7	Confident	93.6	Very high	17 Å²	17	19.1 Å²	19.1	10%	0.104	10%	0.098	C	C	.	.			trans	-97.2	160.1	178.4	63.1	0	0	0	0	110.9	E350 L351 T369 I370 W371	E350-T367 WeakPolarHBondContact OE2-CA 3.4Å; E350-T367 WeakPolarHBondContact OE2-CB 3.43Å; L351-T367 WeakPolarHBondContact CD1-O 3.47Å; T367-T369 PolarHBondContact O-N 3.12Å; T367-T369 VanDerWaalsContact O-N 3.1Å; T367-T369 PolarHBondContact OG1-OG1 2.84Å; T367-I370 PolarHBondContact O-N 3.48Å; T367-I370 VanDerWaalsContact O-N 3.08Å; T367-I370 PolarHBondContact OG1-N 3.31Å; T367-W371 PolarHBondContact O-N 3.28Å; T367-W371 VanDerWaalsContact O-N 3.16Å
368	E	90	Very high	93.9	Very high	40 Å²	40	17.9 Å²	17.9	19%	0.187	9%	0.09	C	C	.	.	H	α-helix	trans	-53.6	-34.2	174.6	-173.5	-172.3	162.5	0	0	111.8	K324 E350 W371 K372	K324-E368 HydrophobicContact CD-CG 4.24Å; K324-E368 VanDerWaalsContact CD-OE2 3.26Å; K324-E368 WeakPolarHBondContact CD-OE2 3.3Å; K324-E368 WeakPolarHBondContact CE-OE2 3.16Å; K324-E368 IonicContact NZ-OE1 3.18Å; K324-E368 IonicContact NZ-OE2 3.48Å; K324-E368 PolarHBondContact NZ-OE2 2.58Å; E350-E368 PolarHBondContact OE2-N 3.32Å; E368-W371 PolarHBondContact O-N 3.2Å; E368-K372 HydrophobicContact CG-CD 4.28Å; E368-K372 WeakPolarHBondContact O-CB 3.26Å; E368-K372 WeakPolarHBondContact O-CG 3.35Å; E368-K372 PolarHBondContact O-N 3.45Å; E368-K372 VanDerWaalsContact OE1-CE 3.23Å; E368-K372 WeakPolarHBondContact OE1-CE 3.3Å; E368-K372 IonicContact OE1-NZ 3.79Å; E368-K372 PolarHBondContact OE1-NZ 3.44Å
369	T	89.5	Confident	94.1	Very high	16 Å²	16	20.2 Å²	20.2	10%	0.098	11%	0.105	C	C	.	.	H	α-helix	trans	-70.8	-35.9	-179.2	67.1	0	0	0	0	113.5	T367 Q373 Q450 F454	T367-T369 PolarHBondContact O-N 3.12Å; T367-T369 VanDerWaalsContact O-N 3.1Å; T367-T369 PolarHBondContact OG1-OG1 2.84Å; T369-Q373 WeakPolarHBondContact O-CG 3.42Å; T369-Q373 PolarHBondContact O-N 3.49Å; T369-Q450 VanDerWaalsContact CB-NE2 3.27Å; T369-Q450 HydrophobicContact CG2-CB 4.5Å; T369-Q450 VanDerWaalsContact CG2-NE2 3.34Å; T369-Q450 PolarHBondContact OG1-NE2 2.88Å; T369-Q450 PolarHBondContact OG1-OE1 3.45Å; T369-F454 HydrophobicContact CG2-CE2 4.18Å
370	I	92	Very high	94.3	Very high	23 Å²	23	20.2 Å²	20.2	12%	0.118	11%	0.106	C	C	.	.	H	α-helix	trans	-66.6	-44.6	173.7	-65.9	170.8	0	0	0	108.6	L283 T367 K372 Q373 V374	L283-I370 HydrophobicContact CD1-CG2 4.07Å; T367-I370 PolarHBondContact O-N 3.48Å; T367-I370 VanDerWaalsContact O-N 3.08Å; T367-I370 PolarHBondContact OG1-N 3.31Å; I370-K372 PolarHBondContact O-N 3.28Å; I370-Q373 WeakPolarHBondContact O-CB 3.5Å; I370-Q373 PolarHBondContact O-N 2.99Å; I370-Q373 VanDerWaalsContact O-N 3.12Å; I370-V374 WeakPolarHBondContact O-CG2 3.19Å; I370-V374 PolarHBondContact O-N 2.83Å
371	W	95	Very high	94.4	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.015	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-48.1	175.9	-174.2	-110.9	0	0	0	112	L283 F287 F291 I318 L321 M323 L351 T367 E368 Q373 V374 Q375	L283-W371 HydrophobicContact CD2-CZ3 4.19Å; F287-W371 HydrophobicContact CE1-CZ3 4.16Å; F287-W371 HydrophobicContact CZ-CE3 4.37Å; F287-W371 HydrophobicContact CZ-CH2 4.36Å; F287-W371 AromaticContact CZ-CZ3 3.63Å; F287-W371 HydrophobicContact CZ-CZ3 3.63Å; F291-W371 HydrophobicContact CE2-CH2 4.48Å; F291-W371 HydrophobicContact CZ-CH2 4.41Å; I318-W371 HydrophobicContact CB-CH2 4.43Å; I318-W371 HydrophobicContact CG1-CH2 4.1Å; I318-W371 HydrophobicContact CG2-CH2 4.25Å; I318-W371 HydrophobicContact CG2-CZ2 4.43Å; L321-W371 HydrophobicContact CB-CZ2 4.14Å; L321-W371 HydrophobicContact CD2-CH2 4.24Å; L321-W371 HydrophobicContact CD2-CZ2 3.82Å; L321-W371 HydrophobicContact CG-CZ2 4.18Å; L321-W371 PolarHBondContact O-NE1 2.9Å; M323-W371 HydrophobicContact CE-CD2 4.16Å; M323-W371 HydrophobicContact CE-CE3 4.02Å; M323-W371 HydrophobicContact CE-CH2 3.82Å; M323-W371 HydrophobicContact CE-CZ2 3.97Å; M323-W371 HydrophobicContact CE-CZ3 3.85Å; L351-W371 HydrophobicContact CD1-CB 3.65Å; L351-W371 HydrophobicContact CD1-CG 4.31Å; T367-W371 PolarHBondContact O-N 3.28Å; T367-W371 VanDerWaalsContact O-N 3.16Å; E368-W371 PolarHBondContact O-N 3.2Å; W371-Q373 VanDerWaalsContact C-N 3.26Å; W371-Q373 PolarHBondContact O-N 3.47Å; W371-V374 WeakPolarHBondContact O-CA 3.2Å; W371-V374 WeakPolarHBondContact O-CB 3.5Å; W371-V374 PolarHBondContact O-N 2.94Å; W371-Q375 HydrophobicContact CD2-CG 4.48Å; W371-Q375 HydrophobicContact CG-CG 4.47Å; W371-Q375 HydrophobicContact CZ2-CG 4.48Å; W371-Q375 VanDerWaalsContact NE1-CD 3.3Å; W371-Q375 WeakPolarHBondContact O-CG 3.44Å; W371-Q375 PolarHBondContact O-N 3.38Å
372	K	94.2	Very high	94.4	Very high	87 Å²	87	22.1 Å²	22.1	38%	0.378	12%	0.116	S	C	.	.	H	α-helix	trans	-57.2	-36	175.1	-78.9	174.5	165.7	167.5	0	113.2	E368 I370 Q375 H376 L463	E368-K372 HydrophobicContact CG-CD 4.28Å; E368-K372 WeakPolarHBondContact O-CB 3.26Å; E368-K372 WeakPolarHBondContact O-CG 3.35Å; E368-K372 PolarHBondContact O-N 3.45Å; E368-K372 VanDerWaalsContact OE1-CE 3.23Å; E368-K372 WeakPolarHBondContact OE1-CE 3.3Å; E368-K372 IonicContact OE1-NZ 3.79Å; E368-K372 PolarHBondContact OE1-NZ 3.44Å; I370-K372 PolarHBondContact O-N 3.28Å; K372-Q375 PolarHBondContact O-N 3.14Å; K372-H376 WeakPolarHBondContact O-CB 3.38Å; K372-H376 PolarHBondContact O-N 3.23Å; K372-L463 HydrophobicContact CB-CD2 3.95Å
373	Q	95	Very high	94.4	Very high	16 Å²	16	26 Å²	26	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-42.5	173.3	-72.1	174.6	57.4	0	0	111.8	L276 T369 I370 W371 Q375 H376 E377 L463 I464	L276-Q373 HydrophobicContact CD2-CB 4.27Å; T369-Q373 WeakPolarHBondContact O-CG 3.42Å; T369-Q373 PolarHBondContact O-N 3.49Å; I370-Q373 WeakPolarHBondContact O-CB 3.5Å; I370-Q373 PolarHBondContact O-N 2.99Å; I370-Q373 VanDerWaalsContact O-N 3.12Å; W371-Q373 VanDerWaalsContact C-N 3.26Å; W371-Q373 PolarHBondContact O-N 3.47Å; Q373-Q375 VanDerWaalsContact C-N 3.34Å; Q373-H376 PolarHBondContact O-N 2.92Å; Q373-E377 VanDerWaalsContact O-CG 3.27Å; Q373-E377 WeakPolarHBondContact O-CG 3.35Å; Q373-E377 PolarHBondContact O-N 2.88Å; Q373-L463 HydrophobicContact CG-CD1 4.07Å; Q373-L463 HydrophobicContact CG-CD2 4.13Å; Q373-I464 PolarHBondContact NE2-O 3.49Å
374	V	96.7	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-41.1	175.8	-176.2	0	0	0	0	110.7	W270 L271 L276 L283 I318 I370 W371 E377 A378	W270-V374 HydrophobicContact CH2-CG1 4.12Å; W270-V374 HydrophobicContact CZ3-CG1 4.11Å; L271-V374 HydrophobicContact CD2-CG1 4.27Å; L276-V374 HydrophobicContact CD1-CG2 3.97Å; L276-V374 HydrophobicContact CD2-CG2 4.48Å; L283-V374 HydrophobicContact CD1-CG2 3.69Å; L283-V374 HydrophobicContact CD2-CB 4.28Å; L283-V374 HydrophobicContact CD2-CG1 3.72Å; L283-V374 HydrophobicContact CD2-CG2 3.67Å; L283-V374 HydrophobicContact CG-CG2 4.32Å; I318-V374 HydrophobicContact CD1-CG1 4.25Å; I318-V374 HydrophobicContact CG2-CG1 3.74Å; I370-V374 WeakPolarHBondContact O-CG2 3.19Å; I370-V374 PolarHBondContact O-N 2.83Å; W371-V374 WeakPolarHBondContact O-CA 3.2Å; W371-V374 WeakPolarHBondContact O-CB 3.5Å; W371-V374 PolarHBondContact O-N 2.94Å; V374-E377 PolarHBondContact O-N 2.9Å; V374-A378 WeakPolarHBondContact O-CB 3.2Å; V374-A378 PolarHBondContact O-N 3.13Å
375	Q	97.6	Very high	94.3	Very high	37 Å²	37	26.7 Å²	26.7	17%	0.173	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-45.9	176.1	-65.1	-171.1	-69.4	0	0	112.4	I318 V319 L321 W371 K372 Q373 A378 S379	I318-Q375 HydrophobicContact CG2-CG 4.23Å; I318-Q375 WeakPolarHBondContact O-CG 3.4Å; I318-Q375 PolarHBondContact O-NE2 3.09Å; V319-Q375 PolarHBondContact O-NE2 3.1Å; V319-Q375 VanDerWaalsContact O-NE2 3.13Å; L321-Q375 PolarHBondContact O-NE2 2.7Å; W371-Q375 HydrophobicContact CD2-CG 4.48Å; W371-Q375 HydrophobicContact CG-CG 4.47Å; W371-Q375 HydrophobicContact CZ2-CG 4.48Å; W371-Q375 VanDerWaalsContact NE1-CD 3.3Å; W371-Q375 WeakPolarHBondContact O-CG 3.44Å; W371-Q375 PolarHBondContact O-N 3.38Å; K372-Q375 PolarHBondContact O-N 3.14Å; Q373-Q375 VanDerWaalsContact C-N 3.34Å; Q375-A378 PolarHBondContact O-N 3.5Å; Q375-S379 PolarHBondContact O-N 2.9Å
376	H	97.1	Very high	94.3	Very high	28 Å²	28	29.1 Å²	29.1	13%	0.13	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-47.5	176.6	175.4	67.9	0	0	0	111.8	K372 Q373 A378 S379 L380 L462 L463	K372-H376 WeakPolarHBondContact O-CB 3.38Å; K372-H376 PolarHBondContact O-N 3.23Å; Q373-H376 PolarHBondContact O-N 2.92Å; H376-A378 VanDerWaalsContact C-N 3.31Å; H376-A378 PolarHBondContact O-N 2.7Å; H376-S379 WeakPolarHBondContact O-CB 3.19Å; H376-S379 PolarHBondContact O-N 3.25Å; H376-L380 WeakPolarHBondContact NE2-CD1 3.41Å; H376-L380 PolarHBondContact O-N 2.71Å; H376-L462 VanDerWaalsContact CE1-CD2 3.44Å; H376-L462 WeakPolarHBondContact CE1-CD2 3.48Å; H376-L463 HydrophobicContact CB-CD1 3.61Å; H376-L463 VanDerWaalsContact CD2-CD1 3.43Å; H376-L463 WeakPolarHBondContact CD2-CD1 3.42Å
377	E	97.6	Very high	94	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-39.2	177.5	-71.1	-66.2	163.2	0	0	112.3	W270 R274 L276 Q373 V374 S379 L380 S381 K407	W270-E377 HydrophobicContact CH2-CB 3.98Å; W270-E377 HydrophobicContact CZ2-CB 3.7Å; R274-E377 WeakPolarHBondContact CD-OE2 3.37Å; R274-E377 HydrophobicContact CG-CG 4.15Å; R274-E377 IonicContact CZ-OE2 3.36Å; R274-E377 IonicContact NE-OE2 3.43Å; R274-E377 PolarHBondContact NE-OE2 2.89Å; L276-E377 HydrophobicContact CD1-CG 3.97Å; Q373-E377 VanDerWaalsContact O-CG 3.27Å; Q373-E377 WeakPolarHBondContact O-CG 3.35Å; Q373-E377 PolarHBondContact O-N 2.88Å; V374-E377 PolarHBondContact O-N 2.9Å; E377-S379 VanDerWaalsContact C-N 3.33Å; E377-L380 PolarHBondContact O-N 2.69Å; E377-S381 WeakPolarHBondContact O-CB 3.28Å; E377-S381 PolarHBondContact O-N 3.48Å; E377-S381 PolarHBondContact O-OG 2.92Å; E377-K407 WeakPolarHBondContact OE1-CE 3.35Å; E377-K407 IonicContact OE1-NZ 3.43Å; E377-K407 PolarHBondContact OE1-NZ 3.45Å
378	A	98.3	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-39	176.9	0	0	0	0	0	111.1	W270 L315 I318 V319 V374 Q375 H376 S381 L382	W270-A378 HydrophobicContact CH2-CB 4.01Å; W270-A378 HydrophobicContact CZ2-CB 4.19Å; L315-A378 HydrophobicContact CB-CB 4.36Å; L315-A378 HydrophobicContact CD2-CB 4.07Å; I318-A378 HydrophobicContact CB-CB 4.15Å; I318-A378 HydrophobicContact CG2-CB 3.7Å; V319-A378 HydrophobicContact CG2-CB 3.67Å; V374-A378 WeakPolarHBondContact O-CB 3.2Å; V374-A378 PolarHBondContact O-N 3.13Å; Q375-A378 PolarHBondContact O-N 3.5Å; H376-A378 VanDerWaalsContact C-N 3.31Å; H376-A378 PolarHBondContact O-N 2.7Å; A378-S381 PolarHBondContact O-N 3.24Å; A378-L382 WeakPolarHBondContact O-CG 3.18Å; A378-L382 PolarHBondContact O-N 2.91Å
379	S	97.8	Very high	92.7	Very high	57 Å²	57	37.1 Å²	37.1	40%	0.399	19%	0.191	S	C	.	.	H	α-helix	trans	-62.2	-48.6	174.5	-169.4	0	0	0	0	111.8	Q375 H376 E377 S381 L382 Q383	Q375-S379 PolarHBondContact O-N 2.9Å; H376-S379 WeakPolarHBondContact O-CB 3.19Å; H376-S379 PolarHBondContact O-N 3.25Å; E377-S379 VanDerWaalsContact C-N 3.33Å; S379-S381 VanDerWaalsContact C-N 3.28Å; S379-S381 PolarHBondContact O-N 3.39Å; S379-L382 PolarHBondContact O-N 3.07Å; S379-Q383 WeakPolarHBondContact O-CB 3.47Å; S379-Q383 PolarHBondContact O-N 3.03Å
380	L	96.5	Very high	92	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-40.3	176.4	-69.1	-179.6	0	0	0	111.9	H376 E377 Q383 A384 T815	H376-L380 WeakPolarHBondContact NE2-CD1 3.41Å; H376-L380 PolarHBondContact O-N 2.71Å; E377-L380 PolarHBondContact O-N 2.69Å; L380-Q383 PolarHBondContact O-N 3.29Å; L380-A384 WeakPolarHBondContact O-CB 3.5Å; L380-A384 PolarHBondContact O-N 3.48Å; L380-T815 HydrophobicContact CD1-CG2 4.13Å; L380-T815 HydrophobicContact CD2-CG2 4.07Å
381	S	97.1	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-46.2	178.9	-60.7	0	0	0	0	111.7	W270 E377 A378 S379 Q383 A384 I385 L397	W270-S381 PolarHBondContact NE1-OG 2.82Å; E377-S381 WeakPolarHBondContact O-CB 3.28Å; E377-S381 PolarHBondContact O-N 3.48Å; E377-S381 PolarHBondContact O-OG 2.92Å; A378-S381 PolarHBondContact O-N 3.24Å; S379-S381 VanDerWaalsContact C-N 3.28Å; S379-S381 PolarHBondContact O-N 3.39Å; S381-Q383 VanDerWaalsContact C-N 3.35Å; S381-A384 PolarHBondContact O-N 3.36Å; S381-I385 WeakPolarHBondContact O-CD1 3.48Å; S381-I385 WeakPolarHBondContact O-CG1 3.37Å; S381-I385 PolarHBondContact O-N 2.93Å; S381-L397 VanDerWaalsContact CB-CD2 3.46Å; S381-L397 WeakPolarHBondContact OG-CD2 3.05Å
382	L	96.7	Very high	90.8	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-38.4	177.4	-72.5	172.7	0	0	0	112.1	K312 L315 V319 A378 S379 I385 S386	K312-L382 HydrophobicContact CB-CD2 4.5Å; L315-L382 HydrophobicContact CB-CD1 4.15Å; L315-L382 HydrophobicContact CB-CD2 3.98Å; L315-L382 HydrophobicContact CB-CG 3.96Å; L315-L382 HydrophobicContact CD1-CD2 4.3Å; L315-L382 HydrophobicContact CD1-CG 4.43Å; V319-L382 HydrophobicContact CG2-CD1 4.04Å; A378-L382 WeakPolarHBondContact O-CG 3.18Å; A378-L382 PolarHBondContact O-N 2.91Å; S379-L382 PolarHBondContact O-N 3.07Å; L382-I385 PolarHBondContact O-N 2.81Å; L382-S386 PolarHBondContact O-N 3.4Å; L382-S386 VanDerWaalsContact O-N 3.14Å
383	Q	94.5	Very high	90.6	Very high	101 Å²	101	39.9 Å²	39.9	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-50	174.6	-175.7	-174.1	-21.9	0	0	111.1	S379 L380 S381 I385 S386 E387	S379-Q383 WeakPolarHBondContact O-CB 3.47Å; S379-Q383 PolarHBondContact O-N 3.03Å; L380-Q383 PolarHBondContact O-N 3.29Å; S381-Q383 VanDerWaalsContact C-N 3.35Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 2.66Å; Q383-S386 WeakPolarHBondContact O-CA 3.47Å; Q383-S386 WeakPolarHBondContact O-CB 3.4Å; Q383-S386 PolarHBondContact O-N 3.17Å; Q383-S386 PolarHBondContact O-OG 3.47Å; Q383-E387 PolarHBondContact NE2-OE1 3.02Å; Q383-E387 PolarHBondContact O-N 2.88Å
384	A	92.9	Very high	90.5	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-32.1	179.6	0	0	0	0	0	113.2	L380 S381 S386 E387 T393 F812	L380-A384 WeakPolarHBondContact O-CB 3.5Å; L380-A384 PolarHBondContact O-N 3.48Å; S381-A384 PolarHBondContact O-N 3.36Å; A384-S386 VanDerWaalsContact C-N 3.27Å; A384-S386 PolarHBondContact O-N 3.26Å; A384-E387 PolarHBondContact O-N 3.01Å; A384-T393 HydrophobicContact CB-CG2 4.05Å; A384-T393 PolarHBondContact O-OG1 3.16Å; A384-T393 VanDerWaalsContact O-OG1 3.07Å; A384-F812 HydrophobicContact CB-CB 4.42Å; A384-F812 HydrophobicContact CB-CD1 3.97Å; A384-F812 HydrophobicContact CB-CD2 3.34Å; A384-F812 HydrophobicContact CB-CE1 4.04Å; A384-F812 HydrophobicContact CB-CE2 3.46Å; A384-F812 VanDerWaalsContact CB-CE2 3.46Å; A384-F812 HydrophobicContact CB-CG 3.63Å; A384-F812 HydrophobicContact CB-CZ 3.82Å
385	I	93.1	Very high	90.2	Very high	20 Å²	20	43.1 Å²	43.1	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-33.2	172.1	-68.8	163.9	0	0	0	111.1	W308 K312 L315 S381 L382 Q383 T393 L397	W308-I385 HydrophobicContact CH2-CD1 3.79Å; W308-I385 HydrophobicContact CH2-CG1 4.19Å; W308-I385 HydrophobicContact CZ2-CD1 3.74Å; W308-I385 HydrophobicContact CZ2-CG1 3.96Å; W308-I385 HydrophobicContact CZ2-CG2 4.16Å; K312-I385 HydrophobicContact CD-CG2 4.01Å; K312-I385 HydrophobicContact CG-CD1 4.41Å; L315-I385 HydrophobicContact CD1-CD1 4.46Å; S381-I385 WeakPolarHBondContact O-CD1 3.48Å; S381-I385 WeakPolarHBondContact O-CG1 3.37Å; S381-I385 PolarHBondContact O-N 2.93Å; L382-I385 PolarHBondContact O-N 2.81Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 2.66Å; I385-T393 HydrophobicContact CG1-CG2 3.9Å; I385-L397 HydrophobicContact CD1-CD1 4.04Å; I385-L397 HydrophobicContact CG1-CD1 4.01Å
386	S	89.4	Confident	90	Very high	81 Å²	81	41.3 Å²	41.3	57%	0.566	22%	0.219	S	C	*	.	H	α-helix	trans	-78.8	-14.3	177.8	72.4	0	0	0	0	114.8	L382 Q383 A384 E388	L382-S386 PolarHBondContact O-N 3.4Å; L382-S386 VanDerWaalsContact O-N 3.14Å; Q383-S386 WeakPolarHBondContact O-CA 3.47Å; Q383-S386 WeakPolarHBondContact O-CB 3.4Å; Q383-S386 PolarHBondContact O-N 3.17Å; Q383-S386 PolarHBondContact O-OG 3.47Å; A384-S386 VanDerWaalsContact C-N 3.27Å; A384-S386 PolarHBondContact O-N 3.26Å; S386-E388 VanDerWaalsContact C-N 3.29Å; S386-E388 PolarHBondContact O-N 3.27Å
387	E	84.2	Confident	90	Very high	105 Å²	105	40 Å²	40	49%	0.491	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.4	179.9	-70.7	174.1	-171.2	0	0	113.4	Q383 A384 Q389	Q383-E387 PolarHBondContact NE2-OE1 3.02Å; Q383-E387 PolarHBondContact O-N 2.88Å; A384-E387 PolarHBondContact O-N 3.01Å; E387-Q389 PolarHBondContact O-N 3.26Å
388	E	72.1	Confident	89.9	Confident	95 Å²	95	40.4 Å²	40.4	44%	0.444	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	41.2	168.4	-63.7	175.4	-176.2	0	0	115	S386 N851	S386-E388 VanDerWaalsContact C-N 3.29Å; S386-E388 PolarHBondContact O-N 3.27Å; E388-N851 WeakPolarHBondContact CB-ND2 3.44Å; E388-N851 PolarHBondContact OE2-ND2 3.08Å
389	Q	79	Confident	89.5	Confident	35 Å²	35	45.7 Å²	45.7	16%	0.164	24%	0.24	C	C	.	.			trans	-122.9	73.6	174	-69.3	-68.1	-37.4	0	0	111.7	E387 D391 L392 T393 N851	E387-Q389 PolarHBondContact O-N 3.26Å; Q389-D391 PolarHBondContact O-N 3.33Å; Q389-L392 PolarHBondContact O-N 3.48Å; Q389-T393 VanDerWaalsContact O-CB 3.31Å; Q389-T393 WeakPolarHBondContact O-CB 3.41Å; Q389-T393 PolarHBondContact O-N 2.89Å; Q389-T393 PolarHBondContact O-OG1 3.1Å; Q389-T393 VanDerWaalsContact O-OG1 3.07Å; Q389-N851 PolarHBondContact NE2-OD1 3.23Å
390	P	75.9	Confident	89.2	Confident	19 Å²	19	45.7 Å²	45.7	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-44.7	-165.7	20.3	-31.4	0	0	0	114.2	E15 Y16 L392 T393 F394	E15-P390 HydrophobicContact CG-CB 4.36Å; E15-P390 VanDerWaalsContact OE2-CG 3.25Å; E15-P390 WeakPolarHBondContact OE2-CG 3.48Å; Y16-P390 HydrophobicContact CE1-CB 4Å; Y16-P390 HydrophobicContact CE2-CB 4.29Å; Y16-P390 WeakPolarHBondContact OH-CA 3.27Å; P390-L392 PolarHBondContact O-N 3.49Å; P390-T393 PolarHBondContact O-N 2.59Å; P390-F394 VanDerWaalsContact O-CB 3.31Å; P390-F394 WeakPolarHBondContact O-CB 3.5Å; P390-F394 PolarHBondContact O-N 2.95Å
391	D	77.9	Confident	89	Confident	73 Å²	73	49.2 Å²	49.2	39%	0.39	25%	0.249	S	C	.	.	H	α-helix	trans	-52.6	-54.7	178.5	-67.4	-33.8	0	0	0	112.6	Q389 I395 K858	Q389-D391 PolarHBondContact O-N 3.33Å; D391-I395 WeakPolarHBondContact O-CD1 3.41Å; D391-I395 VanDerWaalsContact O-CG1 3.26Å; D391-I395 WeakPolarHBondContact O-CG1 3.31Å; D391-I395 PolarHBondContact O-N 3.26Å; D391-K858 IonicContact OD2-NZ 2.81Å; D391-K858 PolarHBondContact OD2-NZ 3.12Å; D391-K858 VanDerWaalsContact OD2-NZ 3.1Å
392	L	82.8	Confident	88.7	Confident	90 Å²	90	49.4 Å²	49.4	47%	0.471	25%	0.25	S	C	.	.	H	α-helix	trans	-73.8	-40.1	-175.1	-67.8	173.9	0	0	0	110.8	Q389 P390 I395 G396	Q389-L392 PolarHBondContact O-N 3.48Å; P390-L392 PolarHBondContact O-N 3.49Å; L392-I395 PolarHBondContact O-N 2.76Å; L392-G396 PolarHBondContact O-N 3.38Å
393	T	91.1	Very high	88.3	Confident	6 Å²	6	48 Å²	48	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-47	178.9	-65.9	0	0	0	0	110.8	Y16 A384 I385 Q389 P390 I395 G396 L397 F812	Y16-T393 HydrophobicContact CE1-CG2 4.16Å; A384-T393 HydrophobicContact CB-CG2 4.05Å; A384-T393 PolarHBondContact O-OG1 3.16Å; A384-T393 VanDerWaalsContact O-OG1 3.07Å; I385-T393 HydrophobicContact CG1-CG2 3.9Å; Q389-T393 VanDerWaalsContact O-CB 3.31Å; Q389-T393 WeakPolarHBondContact O-CB 3.41Å; Q389-T393 PolarHBondContact O-N 2.89Å; Q389-T393 PolarHBondContact O-OG1 3.1Å; Q389-T393 VanDerWaalsContact O-OG1 3.07Å; P390-T393 PolarHBondContact O-N 2.59Å; T393-I395 PolarHBondContact O-N 2.74Å; T393-G396 PolarHBondContact O-N 3.46Å; T393-L397 HydrophobicContact CG2-CD1 3.81Å; T393-L397 HydrophobicContact CG2-CG 4.24Å; T393-L397 WeakPolarHBondContact O-CB 3.44Å; T393-L397 WeakPolarHBondContact O-CG 3.1Å; T393-L397 PolarHBondContact O-N 2.9Å; T393-F812 WeakPolarHBondContact O-CE1 3.26Å
394	F	92.5	Very high	88.1	Confident	10 Å²	10	44.6 Å²	44.6	4%	0.044	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-40.8	-178.7	-165	-90	0	0	0	112.7	Y16 Q19 A20 L23 P390 G396 L397 F398	Y16-F394 HydrophobicContact CD1-CD2 4.34Å; Q19-F394 VanDerWaalsContact C-CZ 3.46Å; Q19-F394 HydrophobicContact CB-CD1 4.24Å; Q19-F394 HydrophobicContact CB-CD2 3.71Å; Q19-F394 HydrophobicContact CB-CE1 4.09Å; Q19-F394 HydrophobicContact CB-CE2 3.54Å; Q19-F394 HydrophobicContact CB-CG 4.06Å; Q19-F394 HydrophobicContact CB-CZ 3.75Å; Q19-F394 WeakPolarHBondContact O-CZ 3.5Å; Q19-F394 VanDerWaalsContact OE1-CD2 3.23Å; A20-F394 HydrophobicContact CB-CE2 4.41Å; L23-F394 HydrophobicContact CB-CE1 4.35Å; L23-F394 HydrophobicContact CB-CZ 3.94Å; L23-F394 HydrophobicContact CD2-CE1 4.37Å; L23-F394 HydrophobicContact CD2-CZ 3.95Å; P390-F394 VanDerWaalsContact O-CB 3.31Å; P390-F394 WeakPolarHBondContact O-CB 3.5Å; P390-F394 PolarHBondContact O-N 2.95Å; F394-G396 PolarHBondContact O-N 3.07Å; F394-L397 PolarHBondContact O-N 2.94Å; F394-F398 HydrophobicContact CD1-CD2 4.28Å; F394-F398 AromaticContact CD2-CD2 3.82Å; F394-F398 HydrophobicContact CD2-CD2 3.82Å; F394-F398 AromaticContact CD2-CE2 3.98Å; F394-F398 HydrophobicContact CD2-CE2 3.98Å; F394-F398 HydrophobicContact CE1-CB 4.46Å; F394-F398 HydrophobicContact CE1-CD2 4.05Å; F394-F398 AromaticContact CE2-CD2 3.57Å; F394-F398 HydrophobicContact CE2-CD2 3.57Å; F394-F398 AromaticContact CE2-CE2 3.68Å; F394-F398 HydrophobicContact CE2-CE2 3.68Å; F394-F398 HydrophobicContact CG-CD2 4.17Å; F394-F398 AromaticContact CZ-CD2 3.69Å; F394-F398 HydrophobicContact CZ-CD2 3.69Å; F394-F398 HydrophobicContact CZ-CE2 4.2Å; F394-F398 HydrophobicContact CZ-CG 4.45Å; F394-F398 PolarHBondContact O-N 2.84Å
395	I	91.4	Very high	87.7	Confident	74 Å²	74	44.9 Å²	44.9	38%	0.379	23%	0.23	S	C	.	.	H	α-helix	trans	-58	-49.3	174.1	-68.1	168.4	0	0	0	110.3	D391 L392 T393 L397 Q399 Q400	D391-I395 WeakPolarHBondContact O-CD1 3.41Å; D391-I395 VanDerWaalsContact O-CG1 3.26Å; D391-I395 WeakPolarHBondContact O-CG1 3.31Å; D391-I395 PolarHBondContact O-N 3.26Å; L392-I395 PolarHBondContact O-N 2.76Å; T393-I395 PolarHBondContact O-N 2.74Å; I395-L397 VanDerWaalsContact C-N 3.28Å; I395-L397 PolarHBondContact O-N 2.82Å; I395-Q399 HydrophobicContact CG2-CB 4.32Å; I395-Q399 WeakPolarHBondContact O-CA 3.32Å; I395-Q399 PolarHBondContact O-N 3.05Å; I395-Q400 HydrophobicContact CG2-CB 4.48Å; I395-Q400 PolarHBondContact O-N 3.07Å
396	G	92.9	Very high	87.6	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.6	-21.6	179.4	0	0	0	0	0	114.4	R274 L392 T393 F394	R274-G396 PolarHBondContact NH2-O 3.38Å; R274-G396 VanDerWaalsContact NH2-O 3.16Å; L392-G396 PolarHBondContact O-N 3.38Å; T393-G396 PolarHBondContact O-N 3.46Å; F394-G396 PolarHBondContact O-N 3.07Å
397	L	95.7	Very high	87.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-77.5	-46.2	175.1	-72.5	172.8	0	0	0	112.6	R274 W308 S381 I385 T393 F394 I395 F812	R274-L397 PolarHBondContact NH1-O 2.53Å; W308-L397 HydrophobicContact CH2-CD1 3.81Å; S381-L397 VanDerWaalsContact CB-CD2 3.46Å; S381-L397 WeakPolarHBondContact OG-CD2 3.05Å; I385-L397 HydrophobicContact CD1-CD1 4.04Å; I385-L397 HydrophobicContact CG1-CD1 4.01Å; T393-L397 HydrophobicContact CG2-CD1 3.81Å; T393-L397 HydrophobicContact CG2-CG 4.24Å; T393-L397 WeakPolarHBondContact O-CB 3.44Å; T393-L397 WeakPolarHBondContact O-CG 3.1Å; T393-L397 PolarHBondContact O-N 2.9Å; F394-L397 PolarHBondContact O-N 2.94Å; I395-L397 VanDerWaalsContact C-N 3.28Å; I395-L397 PolarHBondContact O-N 2.82Å; L397-F812 HydrophobicContact CD2-CZ 3.98Å; L397-F812 HydrophobicContact CG-CZ 4.06Å
398	F	95.3	Very high	88.1	Confident	12 Å²	12	35.8 Å²	35.8	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-129.2	-9.3	-163.1	-57.9	-71.4	0	0	0	116.3	L23 L266 A269 W270 C273 W308 F311 F394	L23-F398 HydrophobicContact CD2-CB 3.61Å; L23-F398 HydrophobicContact CD2-CD1 3.9Å; L23-F398 HydrophobicContact CD2-CD2 4.17Å; L23-F398 HydrophobicContact CD2-CG 3.64Å; L266-F398 HydrophobicContact CB-CE1 4.19Å; L266-F398 HydrophobicContact CD2-CE1 4.25Å; L266-F398 HydrophobicContact CD2-CZ 4.35Å; L266-F398 WeakPolarHBondContact O-CE1 3.42Å; A269-F398 HydrophobicContact CB-CD1 4.07Å; W270-F398 HydrophobicContact CB-CD1 4.15Å; W270-F398 HydrophobicContact CB-CE1 3.84Å; C273-F398 PolarHBondContact SG-O 3.12Å; W308-F398 HydrophobicContact CH2-CE2 4.46Å; W308-F398 AromaticContact CZ3-CE2 3.9Å; W308-F398 HydrophobicContact CZ3-CE2 3.9Å; W308-F398 HydrophobicContact CZ3-CZ 4.06Å; F311-F398 HydrophobicContact CD1-CZ 4.28Å; F311-F398 HydrophobicContact CE1-CE1 4.32Å; F311-F398 AromaticContact CE1-CZ 3.6Å; F311-F398 HydrophobicContact CE1-CZ 3.6Å; F311-F398 HydrophobicContact CE2-CE1 4.2Å; F311-F398 HydrophobicContact CE2-CZ 4.23Å; F311-F398 AromaticContact CZ-CE1 3.82Å; F311-F398 HydrophobicContact CZ-CE1 3.82Å; F311-F398 AromaticContact CZ-CZ 3.57Å; F311-F398 HydrophobicContact CZ-CZ 3.57Å; F394-F398 HydrophobicContact CD1-CD2 4.28Å; F394-F398 AromaticContact CD2-CD2 3.82Å; F394-F398 HydrophobicContact CD2-CD2 3.82Å; F394-F398 AromaticContact CD2-CE2 3.98Å; F394-F398 HydrophobicContact CD2-CE2 3.98Å; F394-F398 HydrophobicContact CE1-CB 4.46Å; F394-F398 HydrophobicContact CE1-CD2 4.05Å; F394-F398 AromaticContact CE2-CD2 3.57Å; F394-F398 HydrophobicContact CE2-CD2 3.57Å; F394-F398 AromaticContact CE2-CE2 3.68Å; F394-F398 HydrophobicContact CE2-CE2 3.68Å; F394-F398 HydrophobicContact CG-CD2 4.17Å; F394-F398 AromaticContact CZ-CD2 3.69Å; F394-F398 HydrophobicContact CZ-CD2 3.69Å; F394-F398 HydrophobicContact CZ-CE2 4.2Å; F394-F398 HydrophobicContact CZ-CG 4.45Å; F394-F398 PolarHBondContact O-N 2.84Å
399	Q	91.3	Very high	89	Confident	112 Å²	112	31.2 Å²	31.2	52%	0.523	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-40.8	-175	-58.7	-176.6	0.7	0	0	112.5	I395 Q401	I395-Q399 HydrophobicContact CG2-CB 4.32Å; I395-Q399 WeakPolarHBondContact O-CA 3.32Å; I395-Q399 PolarHBondContact O-N 3.05Å; Q399-Q401 PolarHBondContact O-N 3.3Å
400	Q	91.8	Very high	89.5	Confident	57 Å²	57	29.6 Å²	29.6	27%	0.266	15%	0.149	S	C	.	.			trans	-74.9	116.3	-178.8	-174.5	175.3	-18	0	0	111.2	C273 I395 L402 P813	C273-Q400 WeakPolarHBondContact CB-O 3.42Å; I395-Q400 HydrophobicContact CG2-CB 4.48Å; I395-Q400 PolarHBondContact O-N 3.07Å; Q400-L402 HydrophobicContact CG-CD2 4.08Å; Q400-P813 VanDerWaalsContact CD-CG 3.49Å; Q400-P813 HydrophobicContact CG-CG 4.28Å; Q400-P813 VanDerWaalsContact OE1-CD 3.27Å
401	Q	91.5	Very high	90.1	Very high	95 Å²	95	28.8 Å²	28.8	44%	0.444	14%	0.144	S	C	.	.			trans	-69.9	140.3	168	-58.9	-56.3	-60.9	0	0	109.6	Q399 P403	Q399-Q401 PolarHBondContact O-N 3.3Å; Q401-P403 WeakPolarHBondContact O-CD 3.49Å
402	L	91.4	Very high	90.7	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	13%	0.125	C	C	.	.			trans	-110.1	90.6	178.6	-51.2	-172.7	0	0	0	110.1	C273 R274 Q400 P813 Y814	C273-L402 WeakPolarHBondContact O-CB 3.19Å; C273-L402 WeakPolarHBondContact O-CG 3.42Å; C273-L402 PolarHBondContact O-N 3.24Å; R274-L402 HydrophobicContact CG-CD1 3.58Å; R274-L402 HydrophobicContact CG-CG 4.43Å; Q400-L402 HydrophobicContact CG-CD2 4.08Å; L402-P813 HydrophobicContact CD1-CB 4.19Å; L402-P813 HydrophobicContact CD1-CG 4.47Å; L402-P813 HydrophobicContact CD2-CB 3.89Å; L402-P813 HydrophobicContact CD2-CG 3.29Å; L402-P813 HydrophobicContact CG-CG 4.49Å; L402-Y814 HydrophobicContact CB-CE1 4.05Å; L402-Y814 HydrophobicContact CD1-CE1 4.46Å; L402-Y814 HydrophobicContact CD2-CD1 4.49Å; L402-Y814 HydrophobicContact CD2-CE1 3.72Å; L402-Y814 HydrophobicContact CD2-CE2 4.43Å; L402-Y814 HydrophobicContact CG-CE1 4.28Å
403	P	88.6	Confident	91	Very high	19 Å²	19	21.2 Å²	21.2	12%	0.123	10%	0.104	C	C	.	.			trans	-58.5	141.8	173.6	-23.7	34	0	0	0	111.7	Q401 A405 E406 K407 E909	Q401-P403 WeakPolarHBondContact O-CD 3.49Å; P403-A405 VanDerWaalsContact C-N 3.28Å; P403-A405 PolarHBondContact O-N 3.38Å; P403-E406 HydrophobicContact CB-CG 4.35Å; P403-E406 HydrophobicContact CG-CG 4.49Å; P403-E406 PolarHBondContact O-N 3.37Å; P403-K407 PolarHBondContact O-N 2.92Å; P403-K407 VanDerWaalsContact O-N 3.15Å; P403-E909 WeakPolarHBondContact CB-OE1 3.45Å; P403-E909 WeakPolarHBondContact CG-OE1 3.17Å
404	F	88.6	Confident	90.9	Very high	28 Å²	28	21 Å²	21	12%	0.123	10%	0.102	C	C	.	.	H	α-helix	trans	-53.3	-43.4	-177.4	-176.3	-91	0	0	0	113.3	E406 K407 F408 G465 K466 T467 V489	F404-E406 VanDerWaalsContact C-N 3.29Å; F404-E406 PolarHBondContact O-N 2.97Å; F404-K407 PolarHBondContact O-N 3.2Å; F404-F408 HydrophobicContact CD1-CD2 4.24Å; F404-F408 AromaticContact CD2-CD2 3.78Å; F404-F408 HydrophobicContact CD2-CD2 3.78Å; F404-F408 AromaticContact CD2-CE2 3.62Å; F404-F408 HydrophobicContact CD2-CE2 3.62Å; F404-F408 AromaticContact CE1-CD2 3.99Å; F404-F408 HydrophobicContact CE1-CD2 3.99Å; F404-F408 AromaticContact CE2-CD2 3.49Å; F404-F408 HydrophobicContact CE2-CD2 3.49Å; F404-F408 VanDerWaalsContact CE2-CD2 3.49Å; F404-F408 AromaticContact CE2-CE2 3.23Å; F404-F408 HydrophobicContact CE2-CE2 3.23Å; F404-F408 HydrophobicContact CE2-CZ 4.13Å; F404-F408 HydrophobicContact CG-CD2 4.14Å; F404-F408 HydrophobicContact CG-CE2 4.43Å; F404-F408 AromaticContact CZ-CD2 3.6Å; F404-F408 HydrophobicContact CZ-CD2 3.6Å; F404-F408 AromaticContact CZ-CE2 3.76Å; F404-F408 HydrophobicContact CZ-CE2 3.76Å; F404-F408 HydrophobicContact CZ-CG 4.32Å; F404-F408 WeakPolarHBondContact O-CD2 3.5Å; F404-F408 PolarHBondContact O-N 2.96Å; F404-G465 WeakPolarHBondContact CZ-O 3.41Å; F404-K466 WeakPolarHBondContact CE2-O 3.16Å; F404-T467 HydrophobicContact CB-CG2 4.21Å; F404-T467 HydrophobicContact CD1-CG2 3.51Å; F404-T467 HydrophobicContact CD2-CG2 4.11Å; F404-T467 HydrophobicContact CE1-CG2 3.82Å; F404-T467 HydrophobicContact CE2-CG2 4.37Å; F404-T467 HydrophobicContact CG-CG2 3.67Å; F404-T467 HydrophobicContact CZ-CG2 4.23Å; F404-V489 HydrophobicContact CE1-CG1 4.4Å
405	A	86.3	Confident	90.7	Very high	9 Å²	9	25.4 Å²	25.4	7%	0.074	13%	0.127	C	C	.	.	H	α-helix	trans	-71.4	-21.1	-177.5	0	0	0	0	0	114.1	P403 L825 L914	P403-A405 VanDerWaalsContact C-N 3.28Å; P403-A405 PolarHBondContact O-N 3.38Å; A405-L825 HydrophobicContact CB-CD1 3.79Å; A405-L914 HydrophobicContact CB-CD1 4.42Å
406	E	90.8	Very high	90.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-83.8	-31.5	173.4	-67.6	-176.3	-154.4	0	0	111.3	P403 F404 Y814 L825 R826 R829	P403-E406 HydrophobicContact CB-CG 4.35Å; P403-E406 HydrophobicContact CG-CG 4.49Å; P403-E406 PolarHBondContact O-N 3.37Å; F404-E406 VanDerWaalsContact C-N 3.29Å; F404-E406 PolarHBondContact O-N 2.97Å; E406-Y814 HydrophobicContact CB-CE1 4.07Å; E406-Y814 WeakPolarHBondContact CB-OH 3.31Å; E406-Y814 PolarHBondContact OE2-OH 3.32Å; E406-L825 HydrophobicContact CG-CB 3.94Å; E406-L825 HydrophobicContact CG-CD1 4.33Å; E406-R826 HydrophobicContact CB-CG 4.32Å; E406-R826 VanDerWaalsContact O-CZ 3.23Å; E406-R826 PolarHBondContact O-NE 3.31Å; E406-R826 PolarHBondContact O-NH2 3.49Å; E406-R829 IonicContact OE1-CZ 2.91Å; E406-R829 VanDerWaalsContact OE1-CZ 3.29Å; E406-R829 IonicContact OE1-NE 3.35Å; E406-R829 PolarHBondContact OE1-NE 3.17Å; E406-R829 IonicContact OE1-NH2 2.66Å; E406-R829 PolarHBondContact OE1-NH2 3.43Å; E406-R829 IonicContact OE2-NE 3.47Å
407	K	91.9	Very high	90.5	Very high	12 Å²	12	26.2 Å²	26.2	5%	0.052	13%	0.126	C	C	.	.	H	α-helix	trans	-71.5	-45.7	-179.6	177.2	169.3	171.8	163.7	0	112.8	E377 P403 F404 L493 Y814	E377-K407 WeakPolarHBondContact OE1-CE 3.35Å; E377-K407 IonicContact OE1-NZ 3.43Å; E377-K407 PolarHBondContact OE1-NZ 3.45Å; P403-K407 PolarHBondContact O-N 2.92Å; P403-K407 VanDerWaalsContact O-N 3.15Å; F404-K407 PolarHBondContact O-N 3.2Å; K407-L493 WeakPolarHBondContact O-CD1 3.19Å; K407-Y814 HydrophobicContact CB-CD1 4.47Å; K407-Y814 HydrophobicContact CB-CE1 4.37Å
408	F	92.4	Very high	90.2	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.154	C	C	.	.	S	Bend	trans	-94.8	143.6	-178	-66.9	-85.8	0	0	0	111.8	F404 L463 G491 L493	F404-F408 HydrophobicContact CD1-CD2 4.24Å; F404-F408 AromaticContact CD2-CD2 3.78Å; F404-F408 HydrophobicContact CD2-CD2 3.78Å; F404-F408 AromaticContact CD2-CE2 3.62Å; F404-F408 HydrophobicContact CD2-CE2 3.62Å; F404-F408 AromaticContact CE1-CD2 3.99Å; F404-F408 HydrophobicContact CE1-CD2 3.99Å; F404-F408 AromaticContact CE2-CD2 3.49Å; F404-F408 HydrophobicContact CE2-CD2 3.49Å; F404-F408 VanDerWaalsContact CE2-CD2 3.49Å; F404-F408 AromaticContact CE2-CE2 3.23Å; F404-F408 HydrophobicContact CE2-CE2 3.23Å; F404-F408 HydrophobicContact CE2-CZ 4.13Å; F404-F408 HydrophobicContact CG-CD2 4.14Å; F404-F408 HydrophobicContact CG-CE2 4.43Å; F404-F408 AromaticContact CZ-CD2 3.6Å; F404-F408 HydrophobicContact CZ-CD2 3.6Å; F404-F408 AromaticContact CZ-CE2 3.76Å; F404-F408 HydrophobicContact CZ-CE2 3.76Å; F404-F408 HydrophobicContact CZ-CG 4.32Å; F404-F408 WeakPolarHBondContact O-CD2 3.5Å; F404-F408 PolarHBondContact O-N 2.96Å; F408-L463 HydrophobicContact CE1-CB 4.37Å; F408-G491 WeakPolarHBondContact CD1-O 3.27Å; F408-L493 HydrophobicContact CD1-CB 3.95Å; F408-L493 HydrophobicContact CE1-CB 4.27Å
409	D	90.7	Very high	90.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-72.1	-46.6	-176.1	-71.1	-54.5	0	0	0	112.6	L492 M494 R818 H819 S822	D409-L492 PolarHBondContact N-O 3.43Å; D409-M494 HydrophobicContact CB-CG 4.12Å; D409-M494 PolarHBondContact OD2-N 3.27Å; D409-R818 PolarHBondContact OD1-N 2.6Å; D409-H819 HydrophobicContact CB-CB 3.76Å; D409-H819 WeakPolarHBondContact O-CB 3.49Å; D409-H819 PolarHBondContact O-ND1 2.89Å; D409-S822 PolarHBondContact OD1-OG 2.97Å; D409-S822 VanDerWaalsContact OD1-OG 3.05Å
410	I	88.4	Confident	90.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.4	177.6	-50.2	175.9	0	0	0	109.2	F412 G491 L492 Q499 T550 N572 H819	I410-F412 HydrophobicContact CB-CE2 4.06Å; I410-F412 HydrophobicContact CG2-CD2 4.18Å; I410-F412 HydrophobicContact CG2-CE2 3.44Å; I410-F412 VanDerWaalsContact CG2-CE2 3.44Å; I410-F412 HydrophobicContact CG2-CZ 3.67Å; I410-G491 CarbonylContact O-C 3.59Å; I410-G491 VanDerWaalsContact O-CA 3.29Å; I410-G491 WeakPolarHBondContact O-CA 3.18Å; I410-L492 PolarHBondContact N-O 3.37Å; I410-L492 PolarHBondContact O-N 3Å; I410-Q499 HydrophobicContact CD1-CG 4.4Å; I410-T550 HydrophobicContact CD1-CG2 3.38Å; I410-N572 WeakPolarHBondContact CA-OD1 3.36Å; I410-N572 VanDerWaalsContact CG2-OD1 3.25Å; I410-N572 WeakPolarHBondContact CG2-OD1 3.46Å; I410-H819 HydrophobicContact CG1-CB 4.22Å
411	C	89.1	Confident	90.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141	176	-67.7	0	0	0	0	110.5	F490 S571 N572 L914	C411-F490 CarbonylContact C-O 3.54Å; C411-F490 WeakPolarHBondContact CA-O 3.23Å; C411-S571 VanDerWaalsContact O-CA 3.3Å; C411-S571 WeakPolarHBondContact O-CA 3.33Å; C411-N572 VanDerWaalsContact N-CG 3.34Å; C411-N572 PolarHBondContact N-ND2 3.15Å; C411-N572 PolarHBondContact N-OD1 2.97Å; C411-N572 PolarHBondContact O-N 3.17Å; C411-N572 VanDerWaalsContact O-N 3.07Å; C411-N572 PolarHBondContact O-OD1 3.2Å; C411-L914 HydrophobicContact CB-CD2 3.93Å
412	F	89.8	Confident	90.4	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.1	179.4	-66.8	-91.7	0	0	0	110.8	I410 V489 F490 L492 T550 V551 V554 I569 R570	I410-F412 HydrophobicContact CB-CE2 4.06Å; I410-F412 HydrophobicContact CG2-CD2 4.18Å; I410-F412 HydrophobicContact CG2-CE2 3.44Å; I410-F412 VanDerWaalsContact CG2-CE2 3.44Å; I410-F412 HydrophobicContact CG2-CZ 3.67Å; F412-V489 CarbonylContact O-C 3.58Å; F412-V489 VanDerWaalsContact O-CA 3.27Å; F412-V489 WeakPolarHBondContact O-CA 3.46Å; F412-F490 HydrophobicContact CB-CD1 4.01Å; F412-F490 HydrophobicContact CB-CD2 4.2Å; F412-F490 HydrophobicContact CB-CE1 3.56Å; F412-F490 HydrophobicContact CB-CE2 3.76Å; F412-F490 HydrophobicContact CB-CG 4.31Å; F412-F490 HydrophobicContact CB-CZ 3.42Å; F412-F490 VanDerWaalsContact CB-CZ 3.42Å; F412-F490 HydrophobicContact CD2-CD2 4.25Å; F412-F490 AromaticContact CD2-CE2 3.65Å; F412-F490 HydrophobicContact CD2-CE2 3.65Å; F412-F490 HydrophobicContact CD2-CZ 4.05Å; F412-F490 HydrophobicContact CG-CE1 4.39Å; F412-F490 AromaticContact CG-CE2 3.87Å; F412-F490 HydrophobicContact CG-CE2 3.87Å; F412-F490 AromaticContact CG-CZ 3.77Å; F412-F490 HydrophobicContact CG-CZ 3.77Å; F412-F490 PolarHBondContact N-O 2.82Å; F412-F490 PolarHBondContact O-N 2.92Å; F412-L492 HydrophobicContact CD2-CD1 4.3Å; F412-L492 HydrophobicContact CD2-CG 4.21Å; F412-L492 HydrophobicContact CE2-CD1 3.54Å; F412-L492 HydrophobicContact CE2-CG 3.86Å; F412-L492 HydrophobicContact CZ-CD1 4.3Å; F412-T550 HydrophobicContact CZ-CG2 4.49Å; F412-V551 HydrophobicContact CE1-CB 4.44Å; F412-V551 HydrophobicContact CE1-CG1 4.37Å; F412-V551 HydrophobicContact CE1-CG2 4.23Å; F412-V551 HydrophobicContact CZ-CG2 4.37Å; F412-V554 HydrophobicContact CD1-CB 4.25Å; F412-V554 HydrophobicContact CD1-CG1 3.86Å; F412-V554 HydrophobicContact CD1-CG2 4.39Å; F412-V554 HydrophobicContact CE1-CB 3.73Å; F412-V554 HydrophobicContact CE1-CG1 3.87Å; F412-V554 HydrophobicContact CE1-CG2 3.77Å; F412-V554 HydrophobicContact CE2-CG2 3.93Å; F412-V554 HydrophobicContact CG-CG1 4.39Å; F412-V554 HydrophobicContact CZ-CB 4.02Å; F412-V554 HydrophobicContact CZ-CG1 4.44Å; F412-V554 HydrophobicContact CZ-CG2 3.52Å; F412-I569 HydrophobicContact CD1-CG2 4.03Å; F412-R570 CarbonylContact C-O 3.55Å; F412-R570 WeakPolarHBondContact CA-O 3.04Å
413	T	88.7	Confident	90.5	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.7	168.6	-67.5	0	0	0	0	109.3	P487 L488 I569 R570 L914 T915	T413-P487 HydrophobicContact CG2-CB 3.77Å; T413-L488 WeakPolarHBondContact CA-O 3.48Å; T413-I569 WeakPolarHBondContact O-CA 3.21Å; T413-R570 PolarHBondContact N-O 2.92Å; T413-R570 PolarHBondContact O-N 3.47Å; T413-L914 VanDerWaalsContact CB-O 3.25Å; T413-L914 WeakPolarHBondContact CB-O 3.22Å; T413-L914 PolarHBondContact OG1-O 2.66Å; T413-T915 HydrophobicContact CG2-CG2 4.32Å
414	L	90	Very high	90.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	100.1	-177.3	-169.7	68.7	0	0	0	110.9	A416 L420 Y442 I449 L488 F490 M558 I564 I569	L414-A416 HydrophobicContact CD1-CB 3.98Å; L414-A416 HydrophobicContact CG-CB 3.86Å; L414-A416 PolarHBondContact O-N 3.25Å; L414-L420 HydrophobicContact CD2-CD1 4.1Å; L414-Y442 PolarHBondContact O-OH 3.48Å; L414-I449 HydrophobicContact CD2-CD1 4.29Å; L414-L488 HydrophobicContact CB-CB 4.26Å; L414-L488 HydrophobicContact CD2-CD2 4.05Å; L414-L488 PolarHBondContact N-O 2.91Å; L414-L488 PolarHBondContact O-N 3.09Å; L414-F490 HydrophobicContact CB-CE1 4.38Å; L414-M558 HydrophobicContact CD1-CG 4.49Å; L414-M558 HydrophobicContact CD1-SD 4.43Å; L414-M558 HydrophobicContact CD2-SD 4.46Å; L414-I564 HydrophobicContact CD1-CD1 3.97Å; L414-I564 HydrophobicContact CD1-CG2 3.82Å; L414-I564 HydrophobicContact CD2-CD1 4Å; L414-I564 HydrophobicContact CG-CD1 4.34Å; L414-I569 HydrophobicContact CD1-CG1 3.77Å
415	N	88.9	Confident	90.8	Very high	104 Å²	104	33.4 Å²	33.4	56%	0.556	16%	0.162	S	C	*	.			trans	-97.3	67.9	173.7	-168.7	2.5	0	0	0	110.8	P487 A568	N415-P487 HydrophobicContact CB-CB 4.34Å; N415-P487 HydrophobicContact CB-CG 4.42Å; N415-A568 PolarHBondContact N-O 2.94Å; N415-A568 WeakPolarHBondContact O-CB 3.46Å
416	A	90.3	Very high	90.9	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	19%	0.187	C	C	.	.			trans	-128.1	38.3	-169.5	0	0	0	0	0	113.5	L414 D418 C419 L420 I564 A568	L414-A416 HydrophobicContact CD1-CB 3.98Å; L414-A416 HydrophobicContact CG-CB 3.86Å; L414-A416 PolarHBondContact O-N 3.25Å; A416-D418 PolarHBondContact O-N 2.94Å; A416-C419 HydrophobicContact CB-CB 4.4Å; A416-C419 PolarHBondContact O-N 3.35Å; A416-L420 WeakPolarHBondContact O-CG 3.22Å; A416-L420 PolarHBondContact O-N 3.32Å; A416-I564 HydrophobicContact CB-CB 4.19Å; A416-I564 HydrophobicContact CB-CD1 3.61Å; A416-I564 HydrophobicContact CB-CG1 3.71Å; A416-I564 HydrophobicContact CB-CG2 3.47Å; A416-I564 VanDerWaalsContact CB-CG2 3.47Å; A416-A568 HydrophobicContact CB-CB 4.31Å
417	R	88.4	Confident	90.8	Very high	87 Å²	87	39.5 Å²	39.5	33%	0.328	20%	0.199	S	C	.	.	H	α-helix	trans	-54.2	-52.3	-174.4	-171.3	-168.2	-173	-169.3	5.4	113	C419 L420 R421 V441 E484	R417-C419 VanDerWaalsContact C-N 3.34Å; R417-C419 PolarHBondContact O-N 3.46Å; R417-L420 PolarHBondContact O-N 2.94Å; R417-R421 WeakPolarHBondContact O-CB 3.47Å; R417-R421 PolarHBondContact O-N 2.74Å; R417-V441 HydrophobicContact CG-CG1 4.1Å; R417-E484 IonicContact CZ-OE1 2.78Å; R417-E484 IonicContact CZ-OE2 3.89Å; R417-E484 IonicContact NH1-OE1 2.99Å; R417-E484 PolarHBondContact NH1-OE1 3.42Å; R417-E484 IonicContact NH1-OE2 3.37Å; R417-E484 PolarHBondContact NH1-OE2 3.31Å; R417-E484 VanDerWaalsContact NH1-OE2 3.09Å; R417-E484 IonicContact NH2-OE1 2.83Å; R417-E484 PolarHBondContact NH2-OE1 3.23Å; R417-E484 IonicContact NH2-OE2 3.19Å
418	D	90.5	Very high	90.7	Very high	109 Å²	109	40.8 Å²	40.8	58%	0.583	21%	0.208	S	C	*	.	H	α-helix	trans	-66.4	-38.5	-175	-62.7	-32.8	0	0	0	111.8	A416 R421 K422	A416-D418 PolarHBondContact O-N 2.94Å; D418-R421 PolarHBondContact O-N 3.25Å; D418-K422 VanDerWaalsContact O-CG 3.31Å; D418-K422 WeakPolarHBondContact O-CG 3.43Å; D418-K422 PolarHBondContact O-N 3.45Å
419	C	94.4	Very high	90.5	Very high	29 Å²	29	47.3 Å²	47.3	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-46.9	174	-60.1	0	0	0	0	111	A416 R417 K422 F423 S563 I564	A416-C419 HydrophobicContact CB-CB 4.4Å; A416-C419 PolarHBondContact O-N 3.35Å; R417-C419 VanDerWaalsContact C-N 3.34Å; R417-C419 PolarHBondContact O-N 3.46Å; C419-K422 PolarHBondContact O-N 3.04Å; C419-F423 WeakPolarHBondContact O-CB 3.25Å; C419-F423 PolarHBondContact O-N 3.4Å; C419-S563 PolarHBondContact SG-O 2.8Å; C419-I564 HydrophobicContact CB-CG1 3.76Å
420	L	93.5	Very high	90.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.8	-31.4	179.6	-69.3	177.4	0	0	0	113	L414 A416 R417 F423 A424 V441 Y442 I449 F562 I564	L414-L420 HydrophobicContact CD2-CD1 4.1Å; A416-L420 WeakPolarHBondContact O-CG 3.22Å; A416-L420 PolarHBondContact O-N 3.32Å; R417-L420 PolarHBondContact O-N 2.94Å; L420-F423 WeakPolarHBondContact O-CB 3.03Å; L420-F423 PolarHBondContact O-N 3.32Å; L420-A424 VanDerWaalsContact O-CB 3.26Å; L420-A424 WeakPolarHBondContact O-CB 3.17Å; L420-A424 PolarHBondContact O-N 2.89Å; L420-V441 VanDerWaalsContact C-CG2 3.48Å; L420-V441 HydrophobicContact CB-CG2 3.61Å; L420-Y442 HydrophobicContact CD1-CD1 3.44Å; L420-Y442 VanDerWaalsContact CD1-CD1 3.44Å; L420-Y442 HydrophobicContact CD1-CE1 3.55Å; L420-I449 HydrophobicContact CD1-CD1 4.24Å; L420-I449 HydrophobicContact CD2-CD1 4.06Å; L420-F562 HydrophobicContact CD2-CB 4.3Å; L420-F562 HydrophobicContact CD2-CD1 4.06Å; L420-F562 HydrophobicContact CD2-CG 4.42Å; L420-I564 HydrophobicContact CD2-CD1 3.87Å; L420-I564 HydrophobicContact CG-CD1 4.08Å
421	R	92	Very high	90.7	Very high	105 Å²	105	48.9 Å²	48.9	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-44.6	172.8	-174.6	-178.5	-177.7	-167.1	1.6	110.5	E222 R417 D418 A424 C425 Y434 V441	E222-R421 IonicContact OE1-CZ 2.81Å; E222-R421 IonicContact OE1-NE 2.84Å; E222-R421 IonicContact OE1-NH2 3.32Å; E222-R421 PolarHBondContact OE1-NH2 3.31Å; R417-R421 WeakPolarHBondContact O-CB 3.47Å; R417-R421 PolarHBondContact O-N 2.74Å; D418-R421 PolarHBondContact O-N 3.25Å; R421-A424 PolarHBondContact O-N 3.03Å; R421-C425 PolarHBondContact O-N 3.34Å; R421-C425 PolarHBondContact O-SG 3.35Å; R421-Y434 HydrophobicContact CG-CE1 4.38Å; R421-V441 HydrophobicContact CB-CG2 4.34Å
422	K	93.1	Very high	90.8	Very high	157 Å²	157	49.1 Å²	49.1	68%	0.683	25%	0.25	S	C	*	.	H	α-helix	trans	-60.3	-47.3	173.4	-71.6	172.5	-176.4	178.4	0	110.8	D418 C419 A424 C425 T426	D418-K422 VanDerWaalsContact O-CG 3.31Å; D418-K422 WeakPolarHBondContact O-CG 3.43Å; D418-K422 PolarHBondContact O-N 3.45Å; C419-K422 PolarHBondContact O-N 3.04Å; K422-A424 VanDerWaalsContact C-N 3.35Å; K422-A424 PolarHBondContact O-N 3.25Å; K422-C425 PolarHBondContact O-N 2.82Å; K422-C425 VanDerWaalsContact O-N 3.08Å; K422-T426 WeakPolarHBondContact O-CG2 3.3Å; K422-T426 PolarHBondContact O-N 2.95Å
423	F	93.9	Very high	90.9	Very high	34 Å²	34	53.2 Å²	53.2	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-47.1	175.8	174.3	-96.8	0	0	0	112.1	C419 L420 C425 T426 T430 K448 F562	C419-F423 WeakPolarHBondContact O-CB 3.25Å; C419-F423 PolarHBondContact O-N 3.4Å; L420-F423 WeakPolarHBondContact O-CB 3.03Å; L420-F423 PolarHBondContact O-N 3.32Å; F423-C425 PolarHBondContact O-N 2.87Å; F423-C425 VanDerWaalsContact O-N 3.12Å; F423-T426 WeakPolarHBondContact O-CB 3.43Å; F423-T426 WeakPolarHBondContact O-CG2 3.25Å; F423-T426 PolarHBondContact O-N 2.66Å; F423-T426 PolarHBondContact O-OG1 3.11Å; F423-T430 HydrophobicContact CE1-CG2 4.18Å; F423-T430 HydrophobicContact CZ-CG2 4.32Å; F423-K448 HydrophobicContact CE1-CG 4.37Å; F423-K448 HydrophobicContact CZ-CG 3.89Å; F423-F562 HydrophobicContact CD1-CD1 4.06Å; F423-F562 HydrophobicContact CD1-CE1 4.34Å; F423-F562 AromaticContact CD2-CD1 3.88Å; F423-F562 HydrophobicContact CD2-CD1 3.88Å; F423-F562 HydrophobicContact CD2-CE1 4.43Å; F423-F562 HydrophobicContact CE1-CD1 4.11Å; F423-F562 AromaticContact CE1-CE1 3.94Å; F423-F562 HydrophobicContact CE1-CE1 3.94Å; F423-F562 AromaticContact CE2-CD1 3.93Å; F423-F562 HydrophobicContact CE2-CD1 3.93Å; F423-F562 HydrophobicContact CE2-CE1 4.03Å; F423-F562 AromaticContact CG-CD1 3.96Å; F423-F562 HydrophobicContact CG-CD1 3.96Å; F423-F562 HydrophobicContact CZ-CD1 4.07Å; F423-F562 AromaticContact CZ-CE1 3.79Å; F423-F562 HydrophobicContact CZ-CE1 3.79Å
424	A	92.3	Very high	91	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-22.1	178.4	0	0	0	0	0	113.1	L420 R421 K422 T430 C431 Y434	L420-A424 VanDerWaalsContact O-CB 3.26Å; L420-A424 WeakPolarHBondContact O-CB 3.17Å; L420-A424 PolarHBondContact O-N 2.89Å; R421-A424 PolarHBondContact O-N 3.03Å; K422-A424 VanDerWaalsContact C-N 3.35Å; K422-A424 PolarHBondContact O-N 3.25Å; A424-T430 CarbonylContact O-C 3.59Å; A424-T430 PolarHBondContact O-OG1 2.79Å; A424-C431 WeakPolarHBondContact O-CA 3.37Å; A424-C431 WeakPolarHBondContact O-CB 3.22Å; A424-C431 PolarHBondContact O-N 3.39Å; A424-Y434 HydrophobicContact CB-CD1 4Å; A424-Y434 HydrophobicContact CB-CD2 4.37Å; A424-Y434 HydrophobicContact CB-CG 3.84Å
425	C	90.8	Very high	91.1	Very high	42 Å²	42	53.5 Å²	53.5	28%	0.284	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.1	178.6	-56.4	0	0	0	0	113.2	R421 K422 F423	R421-C425 PolarHBondContact O-N 3.34Å; R421-C425 PolarHBondContact O-SG 3.35Å; K422-C425 PolarHBondContact O-N 2.82Å; K422-C425 VanDerWaalsContact O-N 3.08Å; F423-C425 PolarHBondContact O-N 2.87Å; F423-C425 VanDerWaalsContact O-N 3.12Å
426	T	90	Very high	91.2	Very high	99 Å²	99	48.6 Å²	48.6	61%	0.607	24%	0.24	S	C	*	.	S	Bend	trans	-77.5	-28.6	-177.1	56.2	0	0	0	0	113.7	K422 F423	K422-T426 WeakPolarHBondContact O-CG2 3.3Å; K422-T426 PolarHBondContact O-N 2.95Å; F423-T426 WeakPolarHBondContact O-CB 3.43Å; F423-T426 WeakPolarHBondContact O-CG2 3.25Å; F423-T426 PolarHBondContact O-N 2.66Å; F423-T426 PolarHBondContact O-OG1 3.11Å
427	S	88.7	Confident	91.2	Very high	38 Å²	38	49 Å²	49	27%	0.266	24%	0.242	S	C	.	.	S	Bend	trans	-137.7	160.1	-179.9	75.6	0	0	0	0	111.4	Q429 T430 C431	S427-Q429 VanDerWaalsContact C-N 3.29Å; S427-Q429 PolarHBondContact O-N 2.92Å; S427-T430 PolarHBondContact N-OG1 3.36Å; S427-T430 PolarHBondContact O-N 3.14Å; S427-T430 PolarHBondContact O-OG1 2.88Å; S427-T430 VanDerWaalsContact O-OG1 3.05Å; S427-T430 WeakPolarHBondContact OG-CG2 3.34Å; S427-T430 PolarHBondContact OG-N 2.92Å; S427-T430 PolarHBondContact OG-OG1 3Å; S427-C431 VanDerWaalsContact O-CB 3.3Å; S427-C431 WeakPolarHBondContact O-CB 3.34Å; S427-C431 PolarHBondContact O-N 3Å
428	V	87.8	Confident	91.2	Very high	39 Å²	39	44.9 Å²	44.9	24%	0.236	23%	0.227	C	C	.	.	H	α-helix	trans	-53.6	-48.2	173	158.7	0	0	0	0	111.5	L226 L228 C431 S432	L226-V428 HydrophobicContact CD2-CG2 4.43Å; L228-V428 HydrophobicContact CD1-CB 4.04Å; L228-V428 HydrophobicContact CD1-CG1 3.19Å; L228-V428 HydrophobicContact CD1-CG2 3.68Å; L228-V428 HydrophobicContact CG-CG2 4.27Å; V428-C431 PolarHBondContact O-N 2.85Å; V428-S432 VanDerWaalsContact O-CB 3.29Å; V428-S432 WeakPolarHBondContact O-CB 3.31Å; V428-S432 PolarHBondContact O-N 3.31Å
429	Q	88.6	Confident	91.1	Very high	139 Å²	139	41.5 Å²	41.5	65%	0.65	21%	0.206	S	C	*	.	H	α-helix	trans	-66.1	-44.8	-172.5	-64.6	80.8	1.4	0	0	110.9	S427 R433	S427-Q429 VanDerWaalsContact C-N 3.29Å; S427-Q429 PolarHBondContact O-N 2.92Å; Q429-R433 WeakPolarHBondContact O-CB 3.45Å; Q429-R433 PolarHBondContact O-N 2.96Å; Q429-R433 VanDerWaalsContact O-N 3.07Å
430	T	91.2	Very high	90.7	Very high	33 Å²	33	40.7 Å²	40.7	20%	0.202	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-40.5	178.6	51.7	0	0	0	0	111.4	F423 A424 S427 R433 Y434	F423-T430 HydrophobicContact CE1-CG2 4.18Å; F423-T430 HydrophobicContact CZ-CG2 4.32Å; A424-T430 CarbonylContact O-C 3.59Å; A424-T430 PolarHBondContact O-OG1 2.79Å; S427-T430 PolarHBondContact N-OG1 3.36Å; S427-T430 PolarHBondContact O-N 3.14Å; S427-T430 PolarHBondContact O-OG1 2.88Å; S427-T430 VanDerWaalsContact O-OG1 3.05Å; S427-T430 WeakPolarHBondContact OG-CG2 3.34Å; S427-T430 PolarHBondContact OG-N 2.92Å; S427-T430 PolarHBondContact OG-OG1 3Å; T430-R433 PolarHBondContact O-N 2.99Å; T430-Y434 WeakPolarHBondContact O-CB 3.38Å; T430-Y434 PolarHBondContact O-N 2.7Å
431	C	91.9	Very high	90.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71.2	-39.1	-179.5	-170.4	0	0	0	0	111.9	L226 A424 S427 V428 R433 Y434 I435	L226-C431 HydrophobicContact CD1-CB 3.51Å; L226-C431 VanDerWaalsContact CD1-SG 3.58Å; A424-C431 WeakPolarHBondContact O-CA 3.37Å; A424-C431 WeakPolarHBondContact O-CB 3.22Å; A424-C431 PolarHBondContact O-N 3.39Å; S427-C431 VanDerWaalsContact O-CB 3.3Å; S427-C431 WeakPolarHBondContact O-CB 3.34Å; S427-C431 PolarHBondContact O-N 3Å; V428-C431 PolarHBondContact O-N 2.85Å; C431-R433 VanDerWaalsContact C-N 3.34Å; C431-Y434 PolarHBondContact O-N 3.06Å; C431-I435 WeakPolarHBondContact O-CG1 3.43Å; C431-I435 PolarHBondContact O-N 3.28Å
432	S	91.5	Very high	90.3	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-46.2	174.5	-162.6	0	0	0	0	110.8	P232 V428 Y434 I435 D436	P232-S432 WeakPolarHBondContact CD-OG 3.25Å; P232-S432 PolarHBondContact O-OG 3.1Å; V428-S432 VanDerWaalsContact O-CB 3.29Å; V428-S432 WeakPolarHBondContact O-CB 3.31Å; V428-S432 PolarHBondContact O-N 3.31Å; S432-Y434 VanDerWaalsContact C-N 3.32Å; S432-Y434 PolarHBondContact O-N 3.12Å; S432-I435 PolarHBondContact O-N 3.44Å; S432-D436 VanDerWaalsContact O-CB 3.25Å; S432-D436 WeakPolarHBondContact O-CB 3.44Å; S432-D436 PolarHBondContact O-N 3.03Å
433	R	91.5	Very high	90.1	Very high	88 Å²	88	30.3 Å²	30.3	33%	0.332	16%	0.158	S	C	.	.	H	α-helix	trans	-62.5	-39.4	176.9	-176.4	61.9	178.4	-168.8	0.8	112	Q429 T430 C431 S437	Q429-R433 WeakPolarHBondContact O-CB 3.45Å; Q429-R433 PolarHBondContact O-N 2.96Å; Q429-R433 VanDerWaalsContact O-N 3.07Å; T430-R433 PolarHBondContact O-N 2.99Å; C431-R433 VanDerWaalsContact C-N 3.34Å; R433-S437 VanDerWaalsContact O-CB 3.22Å; R433-S437 WeakPolarHBondContact O-CB 3.45Å; R433-S437 PolarHBondContact O-N 3.49Å; R433-S437 PolarHBondContact O-OG 3.32Å
434	Y	91.9	Very high	89.9	Confident	9 Å²	9	29.6 Å²	29.6	4%	0.035	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-46.1	177.4	176.8	-133.2	0	0	0	112.8	E222 R421 A424 T430 C431 S432 Y439 V441 S444	E222-Y434 HydrophobicContact CG-CE1 4.18Å; R421-Y434 HydrophobicContact CG-CE1 4.38Å; A424-Y434 HydrophobicContact CB-CD1 4Å; A424-Y434 HydrophobicContact CB-CD2 4.37Å; A424-Y434 HydrophobicContact CB-CG 3.84Å; T430-Y434 WeakPolarHBondContact O-CB 3.38Å; T430-Y434 PolarHBondContact O-N 2.7Å; C431-Y434 PolarHBondContact O-N 3.06Å; S432-Y434 VanDerWaalsContact C-N 3.32Å; S432-Y434 PolarHBondContact O-N 3.12Å; Y434-Y439 HydrophobicContact CD1-CD1 4.28Å; Y434-Y439 AromaticContact CE1-CD1 3.63Å; Y434-Y439 HydrophobicContact CE1-CD1 3.63Å; Y434-Y439 HydrophobicContact CE1-CE1 4.05Å; Y434-Y439 VanDerWaalsContact CE2-C 3.43Å; Y434-Y439 HydrophobicContact CE2-CD1 4.16Å; Y434-Y439 VanDerWaalsContact CE2-O 3.22Å; Y434-Y439 WeakPolarHBondContact CE2-O 3.43Å; Y434-Y439 AromaticContact CZ-CD1 3.56Å; Y434-Y439 WeakPolarHBondContact O-CA 3.37Å; Y434-Y439 PolarHBondContact O-N 3.33Å; Y434-V441 HydrophobicContact CD2-CB 4.38Å; Y434-V441 HydrophobicContact CE2-CB 3.71Å; Y434-V441 HydrophobicContact CE2-CG2 4.1Å; Y434-S444 VanDerWaalsContact CA-CB 3.49Å; Y434-S444 WeakPolarHBondContact CD2-OG 3.44Å
435	I	91.3	Very high	89.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-46	177.7	-70.4	166	0	0	0	110.8	Y138 L215 F220 A223 L231 C431 S432 S437 A438 Y439	Y138-I435 PolarHBondContact OH-O 3.14Å; L215-I435 HydrophobicContact CD1-CG2 3.92Å; F220-I435 HydrophobicContact CB-CD1 3.64Å; F220-I435 HydrophobicContact CB-CG1 4.31Å; F220-I435 HydrophobicContact CD1-CD1 4.49Å; F220-I435 HydrophobicContact CD1-CG1 4.39Å; F220-I435 HydrophobicContact CD1-CG2 3.66Å; F220-I435 HydrophobicContact CD2-CD1 4.4Å; F220-I435 HydrophobicContact CD2-CG2 4.01Å; F220-I435 HydrophobicContact CE1-CG2 3.6Å; F220-I435 HydrophobicContact CE2-CG2 4Å; F220-I435 HydrophobicContact CG-CD1 3.94Å; F220-I435 HydrophobicContact CG-CG1 4.33Å; F220-I435 HydrophobicContact CG-CG2 3.86Å; F220-I435 HydrophobicContact CZ-CG2 3.8Å; A223-I435 HydrophobicContact CB-CD1 3.75Å; L231-I435 HydrophobicContact CD1-CB 4.35Å; L231-I435 HydrophobicContact CD1-CD1 3.45Å; L231-I435 VanDerWaalsContact CD1-CD1 3.45Å; L231-I435 HydrophobicContact CD1-CG1 4.49Å; L231-I435 HydrophobicContact CD1-CG2 4.09Å; C431-I435 WeakPolarHBondContact O-CG1 3.43Å; C431-I435 PolarHBondContact O-N 3.28Å; S432-I435 PolarHBondContact O-N 3.44Å; I435-S437 VanDerWaalsContact C-N 3.27Å; I435-S437 PolarHBondContact O-N 3.45Å; I435-A438 PolarHBondContact O-N 3.46Å; I435-Y439 HydrophobicContact CG1-CE1 4.31Å
436	D	92.2	Very high	90	Very high	2 Å²	2	28 Å²	28	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-29.6	-179.9	-169.8	39.9	0	0	0	112.9	R174 L215 S233 P234 L235 Y236 S432 A438	R174-D436 PolarHBondContact NH1-O 3.28Å; L215-D436 HydrophobicContact CD1-CB 4.5Å; S233-D436 VanDerWaalsContact C-OD1 3.26Å; S233-D436 VanDerWaalsContact CA-OD1 3.25Å; S233-D436 WeakPolarHBondContact CA-OD1 3.42Å; P234-D436 WeakPolarHBondContact CD-OD2 3.15Å; L235-D436 VanDerWaalsContact CB-OD2 3.23Å; L235-D436 WeakPolarHBondContact CB-OD2 3.39Å; L235-D436 WeakPolarHBondContact CG-OD2 3.37Å; L235-D436 PolarHBondContact N-OD1 3.48Å; L235-D436 PolarHBondContact N-OD2 3.49Å; Y236-D436 VanDerWaalsContact CB-OD1 3.31Å; Y236-D436 WeakPolarHBondContact CB-OD1 3.36Å; Y236-D436 PolarHBondContact N-OD1 2.99Å; S432-D436 VanDerWaalsContact O-CB 3.25Å; S432-D436 WeakPolarHBondContact O-CB 3.44Å; S432-D436 PolarHBondContact O-N 3.03Å; D436-A438 PolarHBondContact O-N 2.9Å
437	S	90.1	Very high	90	Very high	11 Å²	11	25.5 Å²	25.5	8%	0.077	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	21.1	171.6	-49.5	0	0	0	0	113	R433 I435 Y439 M440	R433-S437 VanDerWaalsContact O-CB 3.22Å; R433-S437 WeakPolarHBondContact O-CB 3.45Å; R433-S437 PolarHBondContact O-N 3.49Å; R433-S437 PolarHBondContact O-OG 3.32Å; I435-S437 VanDerWaalsContact C-N 3.27Å; I435-S437 PolarHBondContact O-N 3.45Å; S437-Y439 VanDerWaalsContact C-N 3.3Å; S437-Y439 PolarHBondContact O-N 2.98Å; S437-M440 WeakPolarHBondContact O-CB 3.37Å; S437-M440 WeakPolarHBondContact O-CG 3.34Å; S437-M440 PolarHBondContact O-N 3.33Å; S437-M440 VanDerWaalsContact O-N 3.12Å
438	A	88.5	Confident	90.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	45.1	178.6	0	0	0	0	0	113.2	P173 R174 I435 D436 M440 F482	P173-A438 HydrophobicContact CG-CB 3.75Å; R174-A438 HydrophobicContact CG-CB 3.58Å; I435-A438 PolarHBondContact O-N 3.46Å; D436-A438 PolarHBondContact O-N 2.9Å; A438-M440 PolarHBondContact O-N 2.89Å; A438-M440 VanDerWaalsContact O-N 3.11Å; A438-F482 HydrophobicContact CB-CD1 4.29Å; A438-F482 HydrophobicContact CB-CD2 3.94Å; A438-F482 HydrophobicContact CB-CE1 4.17Å; A438-F482 HydrophobicContact CB-CE2 3.79Å; A438-F482 HydrophobicContact CB-CG 4.18Å; A438-F482 HydrophobicContact CB-CZ 3.92Å; A438-F482 WeakPolarHBondContact O-CD2 3.38Å; A438-F482 WeakPolarHBondContact O-CG 3.4Å
439	Y	87	Confident	90.6	Very high	39 Å²	39	26.9 Å²	26.9	15%	0.153	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	16.8	178.2	-67.5	-83.3	0	0	0	115.5	F220 E222 Y434 I435 S437 V441 F482	F220-Y439 AromaticContact CD1-CE2 3.93Å; F220-Y439 HydrophobicContact CD1-CE2 3.93Å; F220-Y439 AromaticContact CD1-CZ 3.86Å; F220-Y439 VanDerWaalsContact CD1-OH 3.26Å; F220-Y439 WeakPolarHBondContact CD1-OH 3.38Å; F220-Y439 HydrophobicContact CE1-CE2 4.27Å; E222-Y439 VanDerWaalsContact CD-CE1 3.48Å; E222-Y439 HydrophobicContact CG-CE1 4.32Å; E222-Y439 VanDerWaalsContact OE2-CE1 3.23Å; E222-Y439 WeakPolarHBondContact OE2-CE1 3.37Å; E222-Y439 PolarHBondContact OE2-OH 3.03Å; Y434-Y439 HydrophobicContact CD1-CD1 4.28Å; Y434-Y439 AromaticContact CE1-CD1 3.63Å; Y434-Y439 HydrophobicContact CE1-CD1 3.63Å; Y434-Y439 HydrophobicContact CE1-CE1 4.05Å; Y434-Y439 VanDerWaalsContact CE2-C 3.43Å; Y434-Y439 HydrophobicContact CE2-CD1 4.16Å; Y434-Y439 VanDerWaalsContact CE2-O 3.22Å; Y434-Y439 WeakPolarHBondContact CE2-O 3.43Å; Y434-Y439 AromaticContact CZ-CD1 3.56Å; Y434-Y439 WeakPolarHBondContact O-CA 3.37Å; Y434-Y439 PolarHBondContact O-N 3.33Å; I435-Y439 HydrophobicContact CG1-CE1 4.31Å; S437-Y439 VanDerWaalsContact C-N 3.3Å; S437-Y439 PolarHBondContact O-N 2.98Å; Y439-V441 PolarHBondContact O-N 3.17Å; Y439-F482 AromaticContact CD2-CD2 3.8Å; Y439-F482 HydrophobicContact CD2-CD2 3.8Å; Y439-F482 AromaticContact CD2-CE2 3.94Å; Y439-F482 HydrophobicContact CD2-CE2 3.94Å; Y439-F482 HydrophobicContact CG-CD2 4.47Å
440	M	87.2	Confident	90.8	Very high	11 Å²	11	20.4 Å²	20.4	5%	0.054	10%	0.1	C	C	.	.			trans	-73.9	88.2	171.5	-64.9	-173.4	75.3	0	0	110.4	P173 S437 A438 Y442 E443 S444 I469 F471	P173-M440 HydrophobicContact CG-CG 4.1Å; P173-M440 HydrophobicContact CG-SD 3.75Å; S437-M440 WeakPolarHBondContact O-CB 3.37Å; S437-M440 WeakPolarHBondContact O-CG 3.34Å; S437-M440 PolarHBondContact O-N 3.33Å; S437-M440 VanDerWaalsContact O-N 3.12Å; A438-M440 PolarHBondContact O-N 2.89Å; A438-M440 VanDerWaalsContact O-N 3.11Å; M440-Y442 VanDerWaalsContact C-N 3.27Å; M440-Y442 PolarHBondContact O-N 2.93Å; M440-E443 HydrophobicContact CB-CB 3.82Å; M440-E443 HydrophobicContact CB-CG 3.78Å; M440-E443 HydrophobicContact CE-CG 3.33Å; M440-E443 HydrophobicContact CG-CG 4.46Å; M440-E443 PolarHBondContact O-N 3.41Å; M440-E443 HydrophobicContact SD-CG 3.86Å; M440-S444 WeakPolarHBondContact O-CB 3.41Å; M440-S444 PolarHBondContact O-N 3.37Å; M440-S444 PolarHBondContact O-OG 3.1Å; M440-I469 HydrophobicContact CE-CD1 3.44Å; M440-I469 VanDerWaalsContact CE-CD1 3.44Å; M440-F471 HydrophobicContact CE-CE1 4.33Å; M440-F471 HydrophobicContact CE-CE2 3.97Å; M440-F471 HydrophobicContact CE-CZ 3.34Å; M440-F471 HydrophobicContact SD-CZ 3.9Å
441	V	88.8	Confident	90.9	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-57.1	-40.8	-171.9	71.5	0	0	0	0	112.5	R417 L420 R421 Y434 Y439 S444 S445	R417-V441 HydrophobicContact CG-CG1 4.1Å; L420-V441 VanDerWaalsContact C-CG2 3.48Å; L420-V441 HydrophobicContact CB-CG2 3.61Å; R421-V441 HydrophobicContact CB-CG2 4.34Å; Y434-V441 HydrophobicContact CD2-CB 4.38Å; Y434-V441 HydrophobicContact CE2-CB 3.71Å; Y434-V441 HydrophobicContact CE2-CG2 4.1Å; Y439-V441 PolarHBondContact O-N 3.17Å; V441-S444 PolarHBondContact O-OG 3.19Å; V441-S445 WeakPolarHBondContact O-CB 3.39Å; V441-S445 PolarHBondContact O-N 3.03Å; V441-S445 VanDerWaalsContact O-N 3.14Å; V441-S445 PolarHBondContact O-OG 3.46Å
442	Y	88.8	Confident	91.2	Very high	10 Å²	10	21.6 Å²	21.6	4%	0.039	11%	0.109	C	C	.	.	H	α-helix	trans	-69.3	-46	178.8	-62.6	-66.6	0	0	0	111.8	L414 L420 M440 S444 S445 W446 P485 L488	L414-Y442 PolarHBondContact O-OH 3.48Å; L420-Y442 HydrophobicContact CD1-CD1 3.44Å; L420-Y442 VanDerWaalsContact CD1-CD1 3.44Å; L420-Y442 HydrophobicContact CD1-CE1 3.55Å; M440-Y442 VanDerWaalsContact C-N 3.27Å; M440-Y442 PolarHBondContact O-N 2.93Å; Y442-S444 PolarHBondContact O-N 3.01Å; Y442-S445 PolarHBondContact O-N 3.44Å; Y442-W446 WeakPolarHBondContact O-CA 3.29Å; Y442-W446 VanDerWaalsContact O-CB 3.26Å; Y442-W446 WeakPolarHBondContact O-CB 3.47Å; Y442-W446 PolarHBondContact O-N 2.94Å; Y442-P485 HydrophobicContact CD2-CG 4.04Å; Y442-L488 HydrophobicContact CD1-CB 3.41Å; Y442-L488 VanDerWaalsContact CD1-CB 3.41Å; Y442-L488 HydrophobicContact CD1-CD2 4.07Å; Y442-L488 HydrophobicContact CD1-CG 4.33Å; Y442-L488 HydrophobicContact CD2-CB 4.43Å; Y442-L488 HydrophobicContact CE1-CB 3.71Å; Y442-L488 HydrophobicContact CG-CB 3.79Å
443	E	87.7	Confident	91.4	Very high	28 Å²	28	21.3 Å²	21.3	13%	0.131	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-43.4	178.1	-61.2	-58.2	142.1	0	0	112.1	M440 S445 W446 K466 I469	M440-E443 HydrophobicContact CB-CB 3.82Å; M440-E443 HydrophobicContact CB-CG 3.78Å; M440-E443 HydrophobicContact CE-CG 3.33Å; M440-E443 HydrophobicContact CG-CG 4.46Å; M440-E443 PolarHBondContact O-N 3.41Å; M440-E443 HydrophobicContact SD-CG 3.86Å; E443-S445 VanDerWaalsContact C-N 3.28Å; E443-S445 PolarHBondContact O-N 3.11Å; E443-W446 PolarHBondContact O-N 3.3Å; E443-K466 IonicContact OE1-NZ 2.64Å; E443-K466 PolarHBondContact OE1-NZ 2.93Å; E443-K466 VanDerWaalsContact OE2-CE 3.25Å; E443-K466 WeakPolarHBondContact OE2-CE 3.21Å; E443-K466 IonicContact OE2-NZ 2.73Å; E443-K466 PolarHBondContact OE2-NZ 3.32Å; E443-I469 VanDerWaalsContact OE1-CD1 3.3Å; E443-I469 WeakPolarHBondContact OE1-CD1 3.38Å
444	S	90.5	Very high	91.5	Very high	18 Å²	18	19.9 Å²	19.9	13%	0.126	10%	0.104	C	C	.	.	H	α-helix	trans	-66.5	-29.9	179.7	65.4	0	0	0	0	113.3	Y434 M440 V441 Y442	Y434-S444 VanDerWaalsContact CA-CB 3.49Å; Y434-S444 WeakPolarHBondContact CD2-OG 3.44Å; M440-S444 WeakPolarHBondContact O-CB 3.41Å; M440-S444 PolarHBondContact O-N 3.37Å; M440-S444 PolarHBondContact O-OG 3.1Å; V441-S444 PolarHBondContact O-OG 3.19Å; Y442-S444 PolarHBondContact O-N 3.01Å
445	S	92.5	Very high	91.6	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-92.5	-15.6	179.5	-55.1	0	0	0	0	113.1	V441 Y442 E443 S447 K448 I449	V441-S445 WeakPolarHBondContact O-CB 3.39Å; V441-S445 PolarHBondContact O-N 3.03Å; V441-S445 VanDerWaalsContact O-N 3.14Å; V441-S445 PolarHBondContact O-OG 3.46Å; Y442-S445 PolarHBondContact O-N 3.44Å; E443-S445 VanDerWaalsContact C-N 3.28Å; E443-S445 PolarHBondContact O-N 3.11Å; S445-S447 PolarHBondContact O-N 2.73Å; S445-K448 PolarHBondContact O-N 3.35Å; S445-K448 VanDerWaalsContact O-N 3.13Å; S445-I449 WeakPolarHBondContact O-CG1 3.46Å; S445-I449 PolarHBondContact O-N 3.01Å
446	W	91.4	Very high	91.8	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.027	13%	0.128	C	C	.	.	H	α-helix	trans	-60.1	-48.4	-167.5	-177.1	-125.3	0	0	0	113.2	Y442 E443 K448 I449 Q450 I464 K466 L488 F490	Y442-W446 WeakPolarHBondContact O-CA 3.29Å; Y442-W446 VanDerWaalsContact O-CB 3.26Å; Y442-W446 WeakPolarHBondContact O-CB 3.47Å; Y442-W446 PolarHBondContact O-N 2.94Å; E443-W446 PolarHBondContact O-N 3.3Å; W446-K448 PolarHBondContact O-N 3.05Å; W446-I449 HydrophobicContact CE3-CB 4.21Å; W446-I449 HydrophobicContact CE3-CG2 3.99Å; W446-I449 HydrophobicContact CZ3-CB 4.5Å; W446-I449 HydrophobicContact CZ3-CG2 3.79Å; W446-I449 WeakPolarHBondContact O-CB 3.48Å; W446-I449 PolarHBondContact O-N 2.87Å; W446-I449 VanDerWaalsContact O-N 3.1Å; W446-Q450 VanDerWaalsContact CD1-CD 3.49Å; W446-Q450 HydrophobicContact CD2-CG 3.69Å; W446-Q450 HydrophobicContact CE3-CG 4.04Å; W446-Q450 HydrophobicContact CG-CG 4.25Å; W446-Q450 HydrophobicContact CH2-CG 3.75Å; W446-Q450 VanDerWaalsContact CZ2-CD 3.49Å; W446-Q450 HydrophobicContact CZ2-CG 3.43Å; W446-Q450 VanDerWaalsContact CZ2-CG 3.43Å; W446-Q450 VanDerWaalsContact CZ2-NE2 3.27Å; W446-Q450 HydrophobicContact CZ3-CG 4.07Å; W446-Q450 VanDerWaalsContact NE1-OE1 3.15Å; W446-Q450 WeakPolarHBondContact O-CB 3.49Å; W446-Q450 VanDerWaalsContact O-CG 3.27Å; W446-Q450 WeakPolarHBondContact O-CG 3.49Å; W446-Q450 PolarHBondContact O-N 3.35Å; W446-I464 HydrophobicContact CH2-CG2 3.65Å; W446-I464 HydrophobicContact CZ2-CG2 3.93Å; W446-K466 HydrophobicContact CD2-CD 3.83Å; W446-K466 HydrophobicContact CG-CD 3.92Å; W446-K466 HydrophobicContact CH2-CB 4.22Å; W446-K466 HydrophobicContact CZ2-CB 3.78Å; W446-K466 HydrophobicContact CZ2-CD 4.33Å; W446-K466 HydrophobicContact CZ2-CG 4.12Å; W446-L488 HydrophobicContact CE3-CD1 4.27Å; W446-L488 HydrophobicContact CE3-CD2 3.72Å; W446-L488 HydrophobicContact CZ3-CD1 4.47Å; W446-L488 HydrophobicContact CZ3-CD2 3.89Å; W446-F490 HydrophobicContact CH2-CB 3.38Å; W446-F490 HydrophobicContact CH2-CD2 4.34Å; W446-F490 AromaticContact CH2-CG 3.91Å; W446-F490 HydrophobicContact CH2-CG 3.91Å; W446-F490 HydrophobicContact CZ2-CB 4.32Å; W446-F490 HydrophobicContact CZ3-CB 3.8Å; W446-F490 HydrophobicContact CZ3-CD1 4.28Å; W446-F490 HydrophobicContact CZ3-CG 4.01Å
447	S	90.8	Very high	91.8	Very high	48 Å²	48	25 Å²	25	34%	0.336	13%	0.129	S	C	.	.	H	α-helix	trans	-57.6	-36.7	178.3	176.2	0	0	0	0	112.1	E350 S445 S451	E350-S447 PolarHBondContact OE1-OG 3.42Å; S445-S447 PolarHBondContact O-N 2.73Å; S447-S451 WeakPolarHBondContact O-CB 3.43Å; S447-S451 PolarHBondContact O-N 2.94Å; S447-S451 PolarHBondContact O-OG 2.87Å
448	K	93.2	Very high	91.7	Very high	106 Å²	106	26.5 Å²	26.5	46%	0.461	15%	0.146	S	C	.	.	H	α-helix	trans	-73.5	-41.3	176	-172.3	57.5	179.4	176.6	0	112.8	F423 S445 W446 Q450 S451 T452 F562	F423-K448 HydrophobicContact CE1-CG 4.37Å; F423-K448 HydrophobicContact CZ-CG 3.89Å; S445-K448 PolarHBondContact O-N 3.35Å; S445-K448 VanDerWaalsContact O-N 3.13Å; W446-K448 PolarHBondContact O-N 3.05Å; K448-Q450 VanDerWaalsContact C-N 3.33Å; K448-S451 WeakPolarHBondContact CA-OG 3.45Å; K448-S451 PolarHBondContact O-OG 3.28Å; K448-S451 VanDerWaalsContact O-OG 3.1Å; K448-T452 WeakPolarHBondContact O-CB 3.27Å; K448-T452 PolarHBondContact O-N 3.16Å; K448-T452 VanDerWaalsContact O-N 3.07Å; K448-T452 PolarHBondContact O-OG1 2.94Å; K448-F562 HydrophobicContact CB-CE1 4.48Å; K448-F562 HydrophobicContact CG-CE1 4.02Å; K448-F562 HydrophobicContact CG-CZ 4.12Å
449	I	95.4	Very high	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.3	-49.4	173.3	-72.1	169.8	0	0	0	110	L414 L420 S445 W446 T452 L453 L488 M558 F562	L414-I449 HydrophobicContact CD2-CD1 4.29Å; L420-I449 HydrophobicContact CD1-CD1 4.24Å; L420-I449 HydrophobicContact CD2-CD1 4.06Å; S445-I449 WeakPolarHBondContact O-CG1 3.46Å; S445-I449 PolarHBondContact O-N 3.01Å; W446-I449 HydrophobicContact CE3-CB 4.21Å; W446-I449 HydrophobicContact CE3-CG2 3.99Å; W446-I449 HydrophobicContact CZ3-CB 4.5Å; W446-I449 HydrophobicContact CZ3-CG2 3.79Å; W446-I449 WeakPolarHBondContact O-CB 3.48Å; W446-I449 PolarHBondContact O-N 2.87Å; W446-I449 VanDerWaalsContact O-N 3.1Å; I449-T452 PolarHBondContact O-N 3.27Å; I449-L453 HydrophobicContact CG2-CD1 3.96Å; I449-L453 WeakPolarHBondContact O-CG 3.41Å; I449-L453 PolarHBondContact O-N 3.36Å; I449-L488 HydrophobicContact CD1-CD2 4.28Å; I449-M558 HydrophobicContact CG2-CE 3.97Å; I449-F562 HydrophobicContact CB-CZ 4.28Å; I449-F562 HydrophobicContact CG1-CD1 4.29Å; I449-F562 HydrophobicContact CG1-CE1 3.76Å; I449-F562 HydrophobicContact CG1-CE2 4.12Å; I449-F562 HydrophobicContact CG1-CZ 3.68Å
450	Q	93.4	Very high	91.6	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-52.8	-179.1	-71.5	177.5	-61.5	0	0	112.4	T369 W446 K448 T452 L453 F454 I464	T369-Q450 VanDerWaalsContact CB-NE2 3.27Å; T369-Q450 HydrophobicContact CG2-CB 4.5Å; T369-Q450 VanDerWaalsContact CG2-NE2 3.34Å; T369-Q450 PolarHBondContact OG1-NE2 2.88Å; T369-Q450 PolarHBondContact OG1-OE1 3.45Å; W446-Q450 VanDerWaalsContact CD1-CD 3.49Å; W446-Q450 HydrophobicContact CD2-CG 3.69Å; W446-Q450 HydrophobicContact CE3-CG 4.04Å; W446-Q450 HydrophobicContact CG-CG 4.25Å; W446-Q450 HydrophobicContact CH2-CG 3.75Å; W446-Q450 VanDerWaalsContact CZ2-CD 3.49Å; W446-Q450 HydrophobicContact CZ2-CG 3.43Å; W446-Q450 VanDerWaalsContact CZ2-CG 3.43Å; W446-Q450 VanDerWaalsContact CZ2-NE2 3.27Å; W446-Q450 HydrophobicContact CZ3-CG 4.07Å; W446-Q450 VanDerWaalsContact NE1-OE1 3.15Å; W446-Q450 WeakPolarHBondContact O-CB 3.49Å; W446-Q450 VanDerWaalsContact O-CG 3.27Å; W446-Q450 WeakPolarHBondContact O-CG 3.49Å; W446-Q450 PolarHBondContact O-N 3.35Å; K448-Q450 VanDerWaalsContact C-N 3.33Å; Q450-T452 VanDerWaalsContact C-N 3.26Å; Q450-T452 PolarHBondContact O-N 3.19Å; Q450-L453 PolarHBondContact O-N 3.1Å; Q450-L453 VanDerWaalsContact O-N 3.14Å; Q450-F454 VanDerWaalsContact O-CD2 3.32Å; Q450-F454 WeakPolarHBondContact O-CD2 3.31Å; Q450-F454 PolarHBondContact O-N 3.23Å; Q450-I464 HydrophobicContact CG-CG2 4.32Å
451	S	93.8	Very high	91.8	Very high	55 Å²	55	31.6 Å²	31.6	39%	0.385	17%	0.174	S	C	.	.	H	α-helix	trans	-59.6	-37.6	179.2	50.5	0	0	0	0	112.5	S447 K448 Q455	S447-S451 WeakPolarHBondContact O-CB 3.43Å; S447-S451 PolarHBondContact O-N 2.94Å; S447-S451 PolarHBondContact O-OG 2.87Å; K448-S451 WeakPolarHBondContact CA-OG 3.45Å; K448-S451 PolarHBondContact O-OG 3.28Å; K448-S451 VanDerWaalsContact O-OG 3.1Å; S451-Q455 WeakPolarHBondContact O-CB 3.39Å; S451-Q455 PolarHBondContact O-N 2.89Å
452	T	96.8	Very high	92	Very high	2 Å²	2	34 Å²	34	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-41.3	176.1	-51.6	0	0	0	0	111.2	K448 I449 Q450 Q455 A456 F520 I557 H561 F562	K448-T452 WeakPolarHBondContact O-CB 3.27Å; K448-T452 PolarHBondContact O-N 3.16Å; K448-T452 VanDerWaalsContact O-N 3.07Å; K448-T452 PolarHBondContact O-OG1 2.94Å; I449-T452 PolarHBondContact O-N 3.27Å; Q450-T452 VanDerWaalsContact C-N 3.26Å; Q450-T452 PolarHBondContact O-N 3.19Å; T452-Q455 PolarHBondContact O-N 3.36Å; T452-A456 PolarHBondContact O-N 2.6Å; T452-F520 HydrophobicContact CG2-CE2 3.82Å; T452-F520 HydrophobicContact CG2-CZ 4.05Å; T452-F520 WeakPolarHBondContact O-CZ 3.24Å; T452-I557 HydrophobicContact CG2-CG2 3.58Å; T452-H561 HydrophobicContact CG2-CB 4.06Å; T452-F562 HydrophobicContact CG2-CE2 4.18Å
453	L	95.9	Very high	92.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-44.1	175.8	-73.9	173.1	0	0	0	112.3	I449 Q450 Q455 A456 F457 I464 F490 V554 I557 M558	I449-L453 HydrophobicContact CG2-CD1 3.96Å; I449-L453 WeakPolarHBondContact O-CG 3.41Å; I449-L453 PolarHBondContact O-N 3.36Å; Q450-L453 PolarHBondContact O-N 3.1Å; Q450-L453 VanDerWaalsContact O-N 3.14Å; L453-Q455 VanDerWaalsContact C-N 3.26Å; L453-Q455 PolarHBondContact O-N 2.94Å; L453-A456 PolarHBondContact O-N 3.22Å; L453-A456 VanDerWaalsContact O-N 3.11Å; L453-F457 HydrophobicContact CD2-CD2 4.41Å; L453-F457 HydrophobicContact CD2-CE2 4.06Å; L453-F457 WeakPolarHBondContact O-CD2 3.4Å; L453-F457 PolarHBondContact O-N 3.17Å; L453-I464 HydrophobicContact CB-CD1 3.58Å; L453-I464 HydrophobicContact CD1-CD1 4.28Å; L453-F490 HydrophobicContact CD1-CD2 4.37Å; L453-F490 HydrophobicContact CD1-CE2 3.76Å; L453-F490 HydrophobicContact CD1-CZ 4.17Å; L453-V554 HydrophobicContact CD2-CG2 4.14Å; L453-I557 HydrophobicContact CD2-CG2 4.2Å; L453-M558 HydrophobicContact CD1-CE 3.83Å; L453-M558 HydrophobicContact CD2-CE 3.7Å; L453-M558 HydrophobicContact CG-CE 3.87Å
454	F	93.9	Very high	92.6	Very high	58 Å²	58	32.5 Å²	32.5	25%	0.254	18%	0.18	S	C	.	.	H	α-helix	trans	-58.6	-39.9	173.8	-84.6	-63.9	0	0	0	111.8	T369 Q450 G458 I461 I464	T369-F454 HydrophobicContact CG2-CE2 4.18Å; Q450-F454 VanDerWaalsContact O-CD2 3.32Å; Q450-F454 WeakPolarHBondContact O-CD2 3.31Å; Q450-F454 PolarHBondContact O-N 3.23Å; F454-G458 WeakPolarHBondContact O-CA 3.3Å; F454-G458 PolarHBondContact O-N 3.38Å; F454-I461 HydrophobicContact CD1-CG2 4.37Å; F454-I461 HydrophobicContact CE1-CG2 3.88Å; F454-I464 HydrophobicContact CD1-CD1 4.33Å; F454-I464 HydrophobicContact CD2-CD1 3.92Å; F454-I464 HydrophobicContact CD2-CG1 4.46Å; F454-I464 HydrophobicContact CE1-CD1 4.33Å; F454-I464 HydrophobicContact CE1-CG1 4.14Å; F454-I464 HydrophobicContact CE2-CB 4.18Å; F454-I464 HydrophobicContact CE2-CD1 3.91Å; F454-I464 HydrophobicContact CE2-CG1 3.96Å; F454-I464 HydrophobicContact CG-CD1 4.13Å; F454-I464 HydrophobicContact CZ-CB 4.19Å; F454-I464 HydrophobicContact CZ-CD1 4.12Å; F454-I464 HydrophobicContact CZ-CG1 3.79Å
455	Q	94.5	Very high	92.7	Very high	113 Å²	113	31.7 Å²	31.7	53%	0.528	17%	0.174	S	C	.	.	H	α-helix	trans	-65.1	-39	174.7	-177	175.8	-5.9	0	0	112.5	S451 T452 L453 F520	S451-Q455 WeakPolarHBondContact O-CB 3.39Å; S451-Q455 PolarHBondContact O-N 2.89Å; T452-Q455 PolarHBondContact O-N 3.36Å; L453-Q455 VanDerWaalsContact C-N 3.26Å; L453-Q455 PolarHBondContact O-N 2.94Å; Q455-F520 HydrophobicContact CB-CE2 4.04Å; Q455-F520 HydrophobicContact CB-CZ 4Å; Q455-F520 HydrophobicContact CG-CD1 4.49Å; Q455-F520 HydrophobicContact CG-CD2 4.06Å; Q455-F520 HydrophobicContact CG-CE1 4.25Å; Q455-F520 HydrophobicContact CG-CE2 3.77Å; Q455-F520 HydrophobicContact CG-CG 4.4Å; Q455-F520 HydrophobicContact CG-CZ 3.87Å
456	A	94.5	Very high	92.6	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-70.3	-40.4	-179.6	0	0	0	0	0	113.2	T452 L453 F520 W521 I553 I557	T452-A456 PolarHBondContact O-N 2.6Å; L453-A456 PolarHBondContact O-N 3.22Å; L453-A456 VanDerWaalsContact O-N 3.11Å; A456-F520 HydrophobicContact CB-CE1 3.9Å; A456-F520 HydrophobicContact CB-CZ 3.91Å; A456-W521 HydrophobicContact CB-CH2 4.02Å; A456-W521 HydrophobicContact CB-CZ2 4.18Å; A456-W521 WeakPolarHBondContact O-CZ2 3.37Å; A456-I553 HydrophobicContact CB-CG2 4.18Å; A456-I557 HydrophobicContact CB-CD1 3.58Å; A456-I557 HydrophobicContact CB-CG1 3.57Å
457	F	92.2	Very high	92.3	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.022	19%	0.191	C	C	.	.	H	α-helix	trans	-91	-21.6	-176.8	-78.6	-79.3	0	0	0	113.6	L453 D459 R460 I461 L492 T550 I553 V554	L453-F457 HydrophobicContact CD2-CD2 4.41Å; L453-F457 HydrophobicContact CD2-CE2 4.06Å; L453-F457 WeakPolarHBondContact O-CD2 3.4Å; L453-F457 PolarHBondContact O-N 3.17Å; F457-D459 PolarHBondContact O-N 3.4Å; F457-R460 HydrophobicContact CB-CB 4.36Å; F457-R460 HydrophobicContact CD1-CB 4.35Å; F457-R460 VanDerWaalsContact O-CB 3.29Å; F457-R460 WeakPolarHBondContact O-CB 3.44Å; F457-R460 WeakPolarHBondContact O-CG 2.99Å; F457-R460 PolarHBondContact O-N 2.72Å; F457-R460 VanDerWaalsContact O-N 3.1Å; F457-I461 HydrophobicContact CB-CB 4.28Å; F457-I461 HydrophobicContact CB-CD1 3.35Å; F457-I461 HydrophobicContact CB-CG1 3.61Å; F457-I461 HydrophobicContact CD1-CD1 3.9Å; F457-I461 HydrophobicContact CD1-CG1 4.16Å; F457-I461 HydrophobicContact CD2-CD1 3.29Å; F457-I461 HydrophobicContact CD2-CG1 4.35Å; F457-I461 HydrophobicContact CE2-CD1 3.99Å; F457-I461 HydrophobicContact CG-CD1 3.22Å; F457-I461 HydrophobicContact CG-CG1 3.8Å; F457-L492 HydrophobicContact CE2-CD1 4.03Å; F457-L492 HydrophobicContact CZ-CD1 4.03Å; F457-T550 HydrophobicContact CE1-CG2 3.68Å; F457-T550 HydrophobicContact CZ-CG2 3.72Å; F457-I553 HydrophobicContact CD1-CD1 4.19Å; F457-I553 HydrophobicContact CD1-CG2 4.35Å; F457-I553 HydrophobicContact CD2-CG2 4.1Å; F457-I553 HydrophobicContact CE1-CB 3.97Å; F457-I553 HydrophobicContact CE1-CD1 3.61Å; F457-I553 HydrophobicContact CE1-CG1 4.39Å; F457-I553 HydrophobicContact CE1-CG2 3.81Å; F457-I553 HydrophobicContact CE2-CB 4.28Å; F457-I553 HydrophobicContact CE2-CG2 3.56Å; F457-I553 HydrophobicContact CG-CG2 4.48Å; F457-I553 HydrophobicContact CZ-CB 3.63Å; F457-I553 HydrophobicContact CZ-CD1 4.2Å; F457-I553 HydrophobicContact CZ-CG2 3.39Å; F457-V554 HydrophobicContact CE2-CG2 3.87Å; F457-V554 HydrophobicContact CZ-CG2 3.94Å
458	G	87.9	Confident	91.8	Very high	42 Å²	42	35.8 Å²	35.8	43%	0.433	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	56.6	-128.4	-178.5	0	0	0	0	0	112	F454 R460	F454-G458 WeakPolarHBondContact O-CA 3.3Å; F454-G458 PolarHBondContact O-N 3.38Å; G458-R460 PolarHBondContact O-N 3.26Å
459	D	86.4	Confident	91.1	Very high	131 Å²	131	32.3 Å²	32.3	70%	0.701	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-74.7	-1.7	-179.9	63.8	-20.2	0	0	0	114.4	F457 I461 E495	F457-D459 PolarHBondContact O-N 3.4Å; D459-I461 VanDerWaalsContact C-N 3.31Å; D459-E495 WeakPolarHBondContact O-CB 3.28Å
460	R	88.5	Confident	90.1	Very high	15 Å²	15	35.6 Å²	35.6	6%	0.057	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-71.7	-27	177	-57.1	-170.6	-179.3	-168.3	-1.4	112.9	F457 G458 M494 E495 S498 D501 L503	F457-R460 HydrophobicContact CB-CB 4.36Å; F457-R460 HydrophobicContact CD1-CB 4.35Å; F457-R460 VanDerWaalsContact O-CB 3.29Å; F457-R460 WeakPolarHBondContact O-CB 3.44Å; F457-R460 WeakPolarHBondContact O-CG 2.99Å; F457-R460 PolarHBondContact O-N 2.72Å; F457-R460 VanDerWaalsContact O-N 3.1Å; G458-R460 PolarHBondContact O-N 3.26Å; R460-M494 HydrophobicContact CB-CE 4.07Å; R460-M494 WeakPolarHBondContact O-CA 3.27Å; R460-M494 WeakPolarHBondContact O-CE 3.34Å; R460-E495 PolarHBondContact O-N 2.93Å; R460-S498 WeakPolarHBondContact CG-OG 3.48Å; R460-S498 PolarHBondContact NH1-O 2.81Å; R460-D501 PolarHBondContact NH1-O 2.77Å; R460-D501 PolarHBondContact NH2-O 2.89Å; R460-L503 PolarHBondContact NH2-O 2.97Å
461	I	91.4	Very high	89.3	Confident	11 Å²	11	35.6 Å²	35.6	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129	-175.2	-68.2	178.4	0	0	0	110.2	F454 F457 D459 L463 I464 L492 M494	F454-I461 HydrophobicContact CD1-CG2 4.37Å; F454-I461 HydrophobicContact CE1-CG2 3.88Å; F457-I461 HydrophobicContact CB-CB 4.28Å; F457-I461 HydrophobicContact CB-CD1 3.35Å; F457-I461 HydrophobicContact CB-CG1 3.61Å; F457-I461 HydrophobicContact CD1-CD1 3.9Å; F457-I461 HydrophobicContact CD1-CG1 4.16Å; F457-I461 HydrophobicContact CD2-CD1 3.29Å; F457-I461 HydrophobicContact CD2-CG1 4.35Å; F457-I461 HydrophobicContact CE2-CD1 3.99Å; F457-I461 HydrophobicContact CG-CD1 3.22Å; F457-I461 HydrophobicContact CG-CG1 3.8Å; D459-I461 VanDerWaalsContact C-N 3.31Å; I461-L463 WeakPolarHBondContact CG2-O 3.45Å; I461-I464 HydrophobicContact CD1-CD1 4.29Å; I461-I464 HydrophobicContact CD1-CG1 4.44Å; I461-I464 HydrophobicContact CG2-CD1 4.38Å; I461-I464 HydrophobicContact CG2-CG1 3.72Å; I461-L492 HydrophobicContact CD1-CB 4.25Å; I461-L492 HydrophobicContact CD1-CD1 3.93Å; I461-L492 HydrophobicContact CD1-CD2 4.01Å; I461-L492 HydrophobicContact CD1-CG 4.28Å; I461-M494 HydrophobicContact CG1-CE 4.47Å; I461-M494 HydrophobicContact CG1-SD 4.1Å
462	L	93	Very high	88.2	Confident	57 Å²	57	36.8 Å²	36.8	30%	0.298	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-50.5	169.9	-178.2	48.7	0	0	0	111.1	H376 L493 E495	H376-L462 VanDerWaalsContact CE1-CD2 3.44Å; H376-L462 WeakPolarHBondContact CE1-CD2 3.48Å; L462-L493 HydrophobicContact CB-CD2 4.34Å; L462-L493 HydrophobicContact CB-CG 4.33Å; L462-L493 HydrophobicContact CD2-CD2 3.86Å; L462-L493 HydrophobicContact CD2-CG 4.43Å; L462-L493 HydrophobicContact CG-CD2 4.21Å; L462-L493 PolarHBondContact N-O 2.79Å; L462-E495 HydrophobicContact CB-CB 4.01Å; L462-E495 WeakPolarHBondContact CB-OE2 3.18Å; L462-E495 VanDerWaalsContact CD1-OE2 3.24Å; L462-E495 WeakPolarHBondContact CD1-OE2 3.43Å; L462-E495 VanDerWaalsContact CD2-OE2 3.27Å; L462-E495 WeakPolarHBondContact CD2-OE2 3.32Å; L462-E495 WeakPolarHBondContact CG-OE2 3.33Å
463	L	94.8	Very high	86.9	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.7	-177.4	-68.4	171.3	0	0	0	112.9	K372 Q373 H376 F408 I461 L493	K372-L463 HydrophobicContact CB-CD2 3.95Å; Q373-L463 HydrophobicContact CG-CD1 4.07Å; Q373-L463 HydrophobicContact CG-CD2 4.13Å; H376-L463 HydrophobicContact CB-CD1 3.61Å; H376-L463 VanDerWaalsContact CD2-CD1 3.43Å; H376-L463 WeakPolarHBondContact CD2-CD1 3.42Å; F408-L463 HydrophobicContact CE1-CB 4.37Å; I461-L463 WeakPolarHBondContact CG2-O 3.45Å; L463-L493 HydrophobicContact CB-CB 4Å; L463-L493 HydrophobicContact CB-CD2 4.17Å; L463-L493 HydrophobicContact CD1-CD2 3.87Å; L463-L493 HydrophobicContact CG-CD2 4.28Å; L463-L493 PolarHBondContact N-O 2.84Å; L463-L493 PolarHBondContact O-N 3.3Å
464	I	94.2	Very high	85.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.5	167.5	-54.8	-178.6	0	0	0	108.1	Q373 W446 Q450 L453 F454 I461 F490 G491 L492	Q373-I464 PolarHBondContact NE2-O 3.49Å; W446-I464 HydrophobicContact CH2-CG2 3.65Å; W446-I464 HydrophobicContact CZ2-CG2 3.93Å; Q450-I464 HydrophobicContact CG-CG2 4.32Å; L453-I464 HydrophobicContact CB-CD1 3.58Å; L453-I464 HydrophobicContact CD1-CD1 4.28Å; F454-I464 HydrophobicContact CD1-CD1 4.33Å; F454-I464 HydrophobicContact CD2-CD1 3.92Å; F454-I464 HydrophobicContact CD2-CG1 4.46Å; F454-I464 HydrophobicContact CE1-CD1 4.33Å; F454-I464 HydrophobicContact CE1-CG1 4.14Å; F454-I464 HydrophobicContact CE2-CB 4.18Å; F454-I464 HydrophobicContact CE2-CD1 3.91Å; F454-I464 HydrophobicContact CE2-CG1 3.96Å; F454-I464 HydrophobicContact CG-CD1 4.13Å; F454-I464 HydrophobicContact CZ-CB 4.19Å; F454-I464 HydrophobicContact CZ-CD1 4.12Å; F454-I464 HydrophobicContact CZ-CG1 3.79Å; I461-I464 HydrophobicContact CD1-CD1 4.29Å; I461-I464 HydrophobicContact CD1-CG1 4.44Å; I461-I464 HydrophobicContact CG2-CD1 4.38Å; I461-I464 HydrophobicContact CG2-CG1 3.72Å; I464-F490 HydrophobicContact CG2-CD2 4.49Å; I464-G491 WeakPolarHBondContact CA-O 3.29Å; I464-L492 HydrophobicContact CD1-CD2 4.13Å; I464-L492 HydrophobicContact CG1-CD2 3.9Å; I464-L492 HydrophobicContact CG2-CD2 4.11Å
465	G	91.8	Very high	84.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	166.8	175.5	0	0	0	0	0	112.3	F404 F490 G491	F404-G465 WeakPolarHBondContact CZ-O 3.41Å; G465-F490 CarbonylContact O-C 3.55Å; G465-F490 WeakPolarHBondContact O-CA 3.48Å; G465-F490 VanDerWaalsContact O-CB 3.23Å; G465-F490 WeakPolarHBondContact O-CB 3.43Å; G465-G491 PolarHBondContact N-O 2.99Å; G465-G491 VanDerWaalsContact N-O 3.13Å; G465-G491 PolarHBondContact O-N 2.91Å
466	K	90.6	Very high	83.4	Confident	36 Å²	36	42.1 Å²	42.1	16%	0.157	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.3	172.4	65.3	176.1	169.7	85.6	0	111.2	F404 E443 W446 L488 V489 F490	F404-K466 WeakPolarHBondContact CE2-O 3.16Å; E443-K466 IonicContact OE1-NZ 2.64Å; E443-K466 PolarHBondContact OE1-NZ 2.93Å; E443-K466 VanDerWaalsContact OE2-CE 3.25Å; E443-K466 WeakPolarHBondContact OE2-CE 3.21Å; E443-K466 IonicContact OE2-NZ 2.73Å; E443-K466 PolarHBondContact OE2-NZ 3.32Å; W446-K466 HydrophobicContact CD2-CD 3.83Å; W446-K466 HydrophobicContact CG-CD 3.92Å; W446-K466 HydrophobicContact CH2-CB 4.22Å; W446-K466 HydrophobicContact CZ2-CB 3.78Å; W446-K466 HydrophobicContact CZ2-CD 4.33Å; W446-K466 HydrophobicContact CZ2-CG 4.12Å; K466-L488 HydrophobicContact CB-CD1 3.94Å; K466-L488 HydrophobicContact CD-CD1 3.81Å; K466-V489 VanDerWaalsContact CA-O 3.27Å; K466-V489 WeakPolarHBondContact CA-O 3.44Å; K466-V489 WeakPolarHBondContact CB-O 3.46Å; K466-F490 HydrophobicContact CB-CB 4.34Å
467	T	86.4	Confident	82.1	Confident	38 Å²	38	47.8 Å²	47.8	23%	0.233	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-68.5	154.9	175.9	59.2	0	0	0	0	111.3	F404 V489	F404-T467 HydrophobicContact CB-CG2 4.21Å; F404-T467 HydrophobicContact CD1-CG2 3.51Å; F404-T467 HydrophobicContact CD2-CG2 4.11Å; F404-T467 HydrophobicContact CE1-CG2 3.82Å; F404-T467 HydrophobicContact CE2-CG2 4.37Å; F404-T467 HydrophobicContact CG-CG2 3.67Å; F404-T467 HydrophobicContact CZ-CG2 4.23Å; T467-V489 HydrophobicContact CG2-CB 3.71Å; T467-V489 HydrophobicContact CG2-CG1 3.68Å; T467-V489 PolarHBondContact N-O 3.38Å
468	L	80.4	Confident	80.6	Confident	69 Å²	69	53.9 Å²	53.9	36%	0.361	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-65.4	143.3	170.8	-55	179.9	0	0	0	110.9	Q275 R278	Q275-L468 HydrophobicContact CB-CD1 4.18Å; R278-L468 HydrophobicContact CB-CD1 3.83Å; R278-L468 VanDerWaalsContact O-CD2 3.29Å; R278-L468 WeakPolarHBondContact O-CD2 3.46Å
469	I	77.1	Confident	79.3	Confident	33 Å²	33	58.8 Å²	58.8	17%	0.169	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-87.5	116.4	168.7	-61.4	169	0	0	0	107	M440 E443 F471 V474 P485	M440-I469 HydrophobicContact CE-CD1 3.44Å; M440-I469 VanDerWaalsContact CE-CD1 3.44Å; E443-I469 VanDerWaalsContact OE1-CD1 3.3Å; E443-I469 WeakPolarHBondContact OE1-CD1 3.38Å; I469-F471 HydrophobicContact CB-CD2 4.07Å; I469-F471 HydrophobicContact CB-CE2 3.91Å; I469-F471 HydrophobicContact CG2-CD1 4.37Å; I469-F471 HydrophobicContact CG2-CD2 3.69Å; I469-F471 HydrophobicContact CG2-CE1 4.35Å; I469-F471 HydrophobicContact CG2-CE2 3.69Å; I469-F471 HydrophobicContact CG2-CG 4.1Å; I469-F471 HydrophobicContact CG2-CZ 4.08Å; I469-F471 PolarHBondContact O-N 2.88Å; I469-F471 VanDerWaalsContact O-N 3.13Å; I469-V474 HydrophobicContact CG2-CG2 4.4Å; I469-P485 HydrophobicContact CD1-CB 3.88Å; I469-P485 HydrophobicContact CD1-CG 4.46Å; I469-P485 HydrophobicContact CG1-CB 4.3Å; I469-P485 HydrophobicContact CG2-CB 3.97Å
470	D	75.3	Confident	78.4	Confident	69 Å²	69	53.4 Å²	53.4	37%	0.369	28%	0.279	S	S	.	.			trans	-82.6	87.6	172.7	-176.1	-1	0	0	0	109.9	S472 K473	D470-S472 PolarHBondContact O-N 3.38Å; D470-S472 WeakPolarHBondContact OD1-CB 3.43Å; D470-S472 PolarHBondContact OD1-N 3.24Å; D470-S472 PolarHBondContact OD1-OG 3.01Å; D470-K473 PolarHBondContact O-N 2.77Å; D470-K473 VanDerWaalsContact O-N 3.09Å; D470-K473 VanDerWaalsContact OD2-CD 3.28Å; D470-K473 WeakPolarHBondContact OD2-CD 3.36Å; D470-K473 WeakPolarHBondContact OD2-CE 3.5Å; D470-K473 IonicContact OD2-NZ 2.77Å; D470-K473 PolarHBondContact OD2-NZ 3.44Å
471	F	76.6	Confident	77.4	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.018	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-63.5	-18	-179.7	-84.9	-80.3	0	0	0	114.2	Y168 D171 P173 M440 I469 K473 V474 P483	Y168-F471 HydrophobicContact CD2-CB 3.85Å; Y168-F471 AromaticContact CD2-CD1 3.85Å; Y168-F471 HydrophobicContact CD2-CD1 3.85Å; Y168-F471 HydrophobicContact CD2-CG 4.24Å; Y168-F471 HydrophobicContact CE2-CD1 4.36Å; Y168-F471 HydrophobicContact CG-CB 4.39Å; Y168-F471 HydrophobicContact CG-CD1 4.22Å; D171-F471 HydrophobicContact CB-CD2 3.5Å; D171-F471 HydrophobicContact CB-CE2 3.73Å; D171-F471 WeakPolarHBondContact O-CE2 3.42Å; P173-F471 HydrophobicContact CB-CE1 4.16Å; M440-F471 HydrophobicContact CE-CE1 4.33Å; M440-F471 HydrophobicContact CE-CE2 3.97Å; M440-F471 HydrophobicContact CE-CZ 3.34Å; M440-F471 HydrophobicContact SD-CZ 3.9Å; I469-F471 HydrophobicContact CB-CD2 4.07Å; I469-F471 HydrophobicContact CB-CE2 3.91Å; I469-F471 HydrophobicContact CG2-CD1 4.37Å; I469-F471 HydrophobicContact CG2-CD2 3.69Å; I469-F471 HydrophobicContact CG2-CE1 4.35Å; I469-F471 HydrophobicContact CG2-CE2 3.69Å; I469-F471 HydrophobicContact CG2-CG 4.1Å; I469-F471 HydrophobicContact CG2-CZ 4.08Å; I469-F471 PolarHBondContact O-N 2.88Å; I469-F471 VanDerWaalsContact O-N 3.13Å; F471-K473 PolarHBondContact O-N 3.48Å; F471-V474 PolarHBondContact O-N 3.49Å; F471-P483 HydrophobicContact CD1-CG 4.09Å; F471-P483 HydrophobicContact CE1-CG 3.92Å
472	S	70.8	Confident	76.6	Confident	80 Å²	80	53.7 Å²	53.7	56%	0.559	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.9	173.8	77.7	0	0	0	0	112.8	D470	D470-S472 PolarHBondContact O-N 3.38Å; D470-S472 WeakPolarHBondContact OD1-CB 3.43Å; D470-S472 PolarHBondContact OD1-N 3.24Å; D470-S472 PolarHBondContact OD1-OG 3.01Å
473	K	69.4	Low	75.5	Confident	159 Å²	159	51.3 Å²	51.3	69%	0.691	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-101.6	-2	178.8	-65.3	179.3	-178.9	129.6	0	113.5	D470 F471	D470-K473 PolarHBondContact O-N 2.77Å; D470-K473 VanDerWaalsContact O-N 3.09Å; D470-K473 VanDerWaalsContact OD2-CD 3.28Å; D470-K473 WeakPolarHBondContact OD2-CD 3.36Å; D470-K473 WeakPolarHBondContact OD2-CE 3.5Å; D470-K473 IonicContact OD2-NZ 2.77Å; D470-K473 PolarHBondContact OD2-NZ 3.44Å; F471-K473 PolarHBondContact O-N 3.48Å
474	V	71.9	Confident	74.1	Confident	17 Å²	17	53 Å²	53	10%	0.103	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-101.9	116.2	-176.2	-169.2	0	0	0	0	110.1	I469 F471 P483 E484	I469-V474 HydrophobicContact CG2-CG2 4.4Å; F471-V474 PolarHBondContact O-N 3.49Å; V474-P483 HydrophobicContact CB-CB 4.09Å; V474-P483 HydrophobicContact CG1-CB 3.43Å; V474-P483 VanDerWaalsContact CG1-CB 3.43Å; V474-E484 WeakPolarHBondContact CG1-O 3.4Å
475	N	69.9	Low	72.8	Confident	96 Å²	96	54.1 Å²	54.1	51%	0.513	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-96.1	139	171.4	-63.9	-60.8	0	0	0	110.1
476	P	68	Low	72	Confident	13 Å²	13	58 Å²	58	8%	0.084	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.6	135.8	168.3	28.9	-33.9	0	0	0	110.1	L76 A78	L76-P476 HydrophobicContact CD2-CG 4.23Å; A78-P476 HydrophobicContact CB-CB 4.09Å; A78-P476 HydrophobicContact CB-CG 4.36Å
477	K	68	Low	71.6	Confident	120 Å²	120	58 Å²	58	52%	0.522	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-84.5	154.7	171.6	-66.3	-173.2	-176.3	160.8	0	110.1	A78 D479 S480 E484	A78-K477 VanDerWaalsContact CB-O 3.31Å; A78-K477 WeakPolarHBondContact CB-O 3.48Å; K477-D479 PolarHBondContact O-N 3.07Å; K477-S480 PolarHBondContact N-OG 2.77Å; K477-S480 PolarHBondContact O-N 3.23Å; K477-S480 PolarHBondContact O-OG 3.25Å; K477-E484 WeakPolarHBondContact CD-OE2 3.39Å; K477-E484 WeakPolarHBondContact CE-OE2 3.2Å; K477-E484 IonicContact NZ-OE2 2.64Å; K477-E484 PolarHBondContact NZ-OE2 3.46Å
478	D	60.9	Low	71.7	Confident	133 Å²	133	56.7 Å²	56.7	71%	0.711	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.4	-174.8	-67	-32.5	0	0	0	114.5
479	D	60.4	Low	72.1	Confident	146 Å²	146	53.6 Å²	53.6	78%	0.781	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-16	-178.1	-66	-27.2	0	0	0	114.5	K477	K477-D479 PolarHBondContact O-N 3.07Å
480	S	66.4	Low	72.9	Confident	18 Å²	18	52 Å²	52	13%	0.126	28%	0.283	C	S	.	.			trans	-101.9	133.9	-172.7	60.2	0	0	0	0	112.6	K477 F482	K477-S480 PolarHBondContact N-OG 2.77Å; K477-S480 PolarHBondContact O-N 3.23Å; K477-S480 PolarHBondContact O-OG 3.25Å; S480-F482 VanDerWaalsContact C-N 3.33Å; S480-F482 PolarHBondContact O-N 3.43Å; S480-F482 PolarHBondContact OG-O 3.2Å
481	V	67.7	Low	73.7	Confident	23 Å²	23	48.8 Å²	48.8	14%	0.139	27%	0.266	C	S	.	.	S	Bend	trans	-64.7	-37.1	178.1	177.8	0	0	0	0	112.7	G82 L83 L86	G82-V481 VanDerWaalsContact C-CG1 3.43Å; L83-V481 HydrophobicContact CD2-CG1 4.25Å; L86-V481 HydrophobicContact CD1-CG1 3.99Å
482	F	75.8	Confident	74.5	Confident	9 Å²	9	48.6 Å²	48.6	4%	0.039	27%	0.265	C	S	.	.	S	Bend	trans	-123.5	154.2	-177.5	-67	-70.4	0	0	0	110.7	Y79 L83 Y138 P173 R174 A438 Y439 S480	Y79-F482 HydrophobicContact CD2-CD1 4.44Å; Y79-F482 HydrophobicContact CE2-CD1 4.07Å; Y79-F482 HydrophobicContact CE2-CE1 4.11Å; L83-F482 HydrophobicContact CD2-CE1 3.79Å; L83-F482 HydrophobicContact CD2-CZ 3.64Å; Y138-F482 HydrophobicContact CD1-CZ 4.11Å; Y138-F482 AromaticContact CE1-CZ 3.79Å; Y138-F482 HydrophobicContact CE1-CZ 3.79Å; Y138-F482 AromaticContact CZ-CZ 3.99Å; P173-F482 HydrophobicContact CB-CB 4.46Å; P173-F482 HydrophobicContact CB-CD1 4Å; R174-F482 HydrophobicContact CG-CE1 4.39Å; A438-F482 HydrophobicContact CB-CD1 4.29Å; A438-F482 HydrophobicContact CB-CD2 3.94Å; A438-F482 HydrophobicContact CB-CE1 4.17Å; A438-F482 HydrophobicContact CB-CE2 3.79Å; A438-F482 HydrophobicContact CB-CG 4.18Å; A438-F482 HydrophobicContact CB-CZ 3.92Å; A438-F482 WeakPolarHBondContact O-CD2 3.38Å; A438-F482 WeakPolarHBondContact O-CG 3.4Å; Y439-F482 AromaticContact CD2-CD2 3.8Å; Y439-F482 HydrophobicContact CD2-CD2 3.8Å; Y439-F482 AromaticContact CD2-CE2 3.94Å; Y439-F482 HydrophobicContact CD2-CE2 3.94Å; Y439-F482 HydrophobicContact CG-CD2 4.47Å; S480-F482 VanDerWaalsContact C-N 3.33Å; S480-F482 PolarHBondContact O-N 3.43Å; S480-F482 PolarHBondContact OG-O 3.2Å
483	P	68.4	Low	75.6	Confident	7 Å²	7	44.9 Å²	44.9	5%	0.045	24%	0.239	C	C	.	.			trans	-52.4	140.9	177.3	23.4	-37.7	0	0	0	113.3	Y168 P173 F471 V474 P485	Y168-P483 HydrophobicContact CD2-CG 4.49Å; Y168-P483 HydrophobicContact CE1-CG 3.96Å; Y168-P483 HydrophobicContact CE2-CB 4.16Å; Y168-P483 HydrophobicContact CE2-CG 3.76Å; Y168-P483 VanDerWaalsContact CZ-CG 3.46Å; Y168-P483 WeakPolarHBondContact OH-CD 2.83Å; Y168-P483 WeakPolarHBondContact OH-CG 3.46Å; P173-P483 HydrophobicContact CB-CG 4Å; F471-P483 HydrophobicContact CD1-CG 4.09Å; F471-P483 HydrophobicContact CE1-CG 3.92Å; V474-P483 HydrophobicContact CB-CB 4.09Å; V474-P483 HydrophobicContact CG1-CB 3.43Å; V474-P483 VanDerWaalsContact CG1-CB 3.43Å; P483-P485 WeakPolarHBondContact O-CD 3.27Å
484	E	66.4	Low	76.7	Confident	41 Å²	41	37.5 Å²	37.5	19%	0.192	21%	0.207	C	C	.	.			trans	-91.7	110.3	179.4	-59.3	-170.2	166.8	0	0	111.2	R417 V474 K477	R417-E484 IonicContact CZ-OE1 2.78Å; R417-E484 IonicContact CZ-OE2 3.89Å; R417-E484 IonicContact NH1-OE1 2.99Å; R417-E484 PolarHBondContact NH1-OE1 3.42Å; R417-E484 IonicContact NH1-OE2 3.37Å; R417-E484 PolarHBondContact NH1-OE2 3.31Å; R417-E484 VanDerWaalsContact NH1-OE2 3.09Å; R417-E484 IonicContact NH2-OE1 2.83Å; R417-E484 PolarHBondContact NH2-OE1 3.23Å; R417-E484 IonicContact NH2-OE2 3.19Å; V474-E484 WeakPolarHBondContact CG1-O 3.4Å; K477-E484 WeakPolarHBondContact CD-OE2 3.39Å; K477-E484 WeakPolarHBondContact CE-OE2 3.2Å; K477-E484 IonicContact NZ-OE2 2.64Å; K477-E484 PolarHBondContact NZ-OE2 3.46Å
485	P	67.4	Low	77.4	Confident	25 Å²	25	41.1 Å²	41.1	16%	0.162	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-68.4	153.7	180	29.3	-35.4	0	0	0	111.7	Y442 I469 P483	Y442-P485 HydrophobicContact CD2-CG 4.04Å; I469-P485 HydrophobicContact CD1-CB 3.88Å; I469-P485 HydrophobicContact CD1-CG 4.46Å; I469-P485 HydrophobicContact CG1-CB 4.3Å; I469-P485 HydrophobicContact CG2-CB 3.97Å; P483-P485 WeakPolarHBondContact O-CD 3.27Å
486	S	74	Confident	77.4	Confident	83 Å²	83	38.3 Å²	38.3	58%	0.58	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-49.3	161.3	166.6	-62.5	0	0	0	0	112.1	L488	S486-L488 PolarHBondContact O-N 3.48Å
487	P	82.6	Confident	77.4	Confident	34 Å²	34	41 Å²	41	22%	0.221	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-47.9	141.9	173.4	-27.2	34.7	0	0	0	112	T413 N415 V489 T915	T413-P487 HydrophobicContact CG2-CB 3.77Å; N415-P487 HydrophobicContact CB-CB 4.34Å; N415-P487 HydrophobicContact CB-CG 4.42Å; P487-V489 PolarHBondContact O-N 3.23Å; P487-T915 HydrophobicContact CB-CG2 4.46Å
488	L	88.4	Confident	77.4	Confident	11 Å²	11	36 Å²	36	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	120.9	177.8	170.1	68.5	0	0	0	109.4	T413 L414 Y442 W446 I449 K466 S486 F490	T413-L488 WeakPolarHBondContact CA-O 3.48Å; L414-L488 HydrophobicContact CB-CB 4.26Å; L414-L488 HydrophobicContact CD2-CD2 4.05Å; L414-L488 PolarHBondContact N-O 2.91Å; L414-L488 PolarHBondContact O-N 3.09Å; Y442-L488 HydrophobicContact CD1-CB 3.41Å; Y442-L488 VanDerWaalsContact CD1-CB 3.41Å; Y442-L488 HydrophobicContact CD1-CD2 4.07Å; Y442-L488 HydrophobicContact CD1-CG 4.33Å; Y442-L488 HydrophobicContact CD2-CB 4.43Å; Y442-L488 HydrophobicContact CE1-CB 3.71Å; Y442-L488 HydrophobicContact CG-CB 3.79Å; W446-L488 HydrophobicContact CE3-CD1 4.27Å; W446-L488 HydrophobicContact CE3-CD2 3.72Å; W446-L488 HydrophobicContact CZ3-CD1 4.47Å; W446-L488 HydrophobicContact CZ3-CD2 3.89Å; I449-L488 HydrophobicContact CD1-CD2 4.28Å; K466-L488 HydrophobicContact CB-CD1 3.94Å; K466-L488 HydrophobicContact CD-CD1 3.81Å; S486-L488 PolarHBondContact O-N 3.48Å; L488-F490 HydrophobicContact CD2-CD1 4.36Å; L488-F490 HydrophobicContact CG-CD1 4.34Å
489	V	89.4	Confident	77.7	Confident	5 Å²	5	30 Å²	30	3%	0.03	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.3	171.2	-176.3	0	0	0	0	108.6	F404 F412 K466 T467 P487 L914 T915	F404-V489 HydrophobicContact CE1-CG1 4.4Å; F412-V489 CarbonylContact O-C 3.58Å; F412-V489 VanDerWaalsContact O-CA 3.27Å; F412-V489 WeakPolarHBondContact O-CA 3.46Å; K466-V489 VanDerWaalsContact CA-O 3.27Å; K466-V489 WeakPolarHBondContact CA-O 3.44Å; K466-V489 WeakPolarHBondContact CB-O 3.46Å; T467-V489 HydrophobicContact CG2-CB 3.71Å; T467-V489 HydrophobicContact CG2-CG1 3.68Å; T467-V489 PolarHBondContact N-O 3.38Å; P487-V489 PolarHBondContact O-N 3.23Å; V489-L914 HydrophobicContact CG1-CB 4.03Å; V489-L914 HydrophobicContact CG1-CD1 3.86Å; V489-L914 HydrophobicContact CG1-CG 4.45Å; V489-L914 HydrophobicContact CG2-CB 4.33Å; V489-T915 HydrophobicContact CG2-CG2 3.54Å
490	F	92.8	Very high	78.3	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.4	178	70.6	-90.2	0	0	0	112.3	C411 F412 L414 W446 L453 I464 G465 K466 L488 L492 V554 M558	C411-F490 CarbonylContact C-O 3.54Å; C411-F490 WeakPolarHBondContact CA-O 3.23Å; F412-F490 HydrophobicContact CB-CD1 4.01Å; F412-F490 HydrophobicContact CB-CD2 4.2Å; F412-F490 HydrophobicContact CB-CE1 3.56Å; F412-F490 HydrophobicContact CB-CE2 3.76Å; F412-F490 HydrophobicContact CB-CG 4.31Å; F412-F490 HydrophobicContact CB-CZ 3.42Å; F412-F490 VanDerWaalsContact CB-CZ 3.42Å; F412-F490 HydrophobicContact CD2-CD2 4.25Å; F412-F490 AromaticContact CD2-CE2 3.65Å; F412-F490 HydrophobicContact CD2-CE2 3.65Å; F412-F490 HydrophobicContact CD2-CZ 4.05Å; F412-F490 HydrophobicContact CG-CE1 4.39Å; F412-F490 AromaticContact CG-CE2 3.87Å; F412-F490 HydrophobicContact CG-CE2 3.87Å; F412-F490 AromaticContact CG-CZ 3.77Å; F412-F490 HydrophobicContact CG-CZ 3.77Å; F412-F490 PolarHBondContact N-O 2.82Å; F412-F490 PolarHBondContact O-N 2.92Å; L414-F490 HydrophobicContact CB-CE1 4.38Å; W446-F490 HydrophobicContact CH2-CB 3.38Å; W446-F490 HydrophobicContact CH2-CD2 4.34Å; W446-F490 AromaticContact CH2-CG 3.91Å; W446-F490 HydrophobicContact CH2-CG 3.91Å; W446-F490 HydrophobicContact CZ2-CB 4.32Å; W446-F490 HydrophobicContact CZ3-CB 3.8Å; W446-F490 HydrophobicContact CZ3-CD1 4.28Å; W446-F490 HydrophobicContact CZ3-CG 4.01Å; L453-F490 HydrophobicContact CD1-CD2 4.37Å; L453-F490 HydrophobicContact CD1-CE2 3.76Å; L453-F490 HydrophobicContact CD1-CZ 4.17Å; I464-F490 HydrophobicContact CG2-CD2 4.49Å; G465-F490 CarbonylContact O-C 3.55Å; G465-F490 WeakPolarHBondContact O-CA 3.48Å; G465-F490 VanDerWaalsContact O-CB 3.23Å; G465-F490 WeakPolarHBondContact O-CB 3.43Å; K466-F490 HydrophobicContact CB-CB 4.34Å; L488-F490 HydrophobicContact CD2-CD1 4.36Å; L488-F490 HydrophobicContact CG-CD1 4.34Å; F490-L492 HydrophobicContact CD2-CD2 4.06Å; F490-L492 HydrophobicContact CE2-CD2 4.01Å; F490-V554 HydrophobicContact CZ-CG1 4.05Å; F490-M558 HydrophobicContact CZ-CE 4.3Å
491	G	92.6	Very high	79	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.1	-173.4	0	0	0	0	0	111	F408 I410 I464 G465	F408-G491 WeakPolarHBondContact CD1-O 3.27Å; I410-G491 CarbonylContact O-C 3.59Å; I410-G491 VanDerWaalsContact O-CA 3.29Å; I410-G491 WeakPolarHBondContact O-CA 3.18Å; I464-G491 WeakPolarHBondContact CA-O 3.29Å; G465-G491 PolarHBondContact N-O 2.99Å; G465-G491 VanDerWaalsContact N-O 3.13Å; G465-G491 PolarHBondContact O-N 2.91Å
492	L	93.8	Very high	79.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.3	175.1	-47.1	-177.5	0	0	0	108.4	D409 I410 F412 F457 I461 I464 F490 M494 T550 V554	D409-L492 PolarHBondContact N-O 3.43Å; I410-L492 PolarHBondContact N-O 3.37Å; I410-L492 PolarHBondContact O-N 3Å; F412-L492 HydrophobicContact CD2-CD1 4.3Å; F412-L492 HydrophobicContact CD2-CG 4.21Å; F412-L492 HydrophobicContact CE2-CD1 3.54Å; F412-L492 HydrophobicContact CE2-CG 3.86Å; F412-L492 HydrophobicContact CZ-CD1 4.3Å; F457-L492 HydrophobicContact CE2-CD1 4.03Å; F457-L492 HydrophobicContact CZ-CD1 4.03Å; I461-L492 HydrophobicContact CD1-CB 4.25Å; I461-L492 HydrophobicContact CD1-CD1 3.93Å; I461-L492 HydrophobicContact CD1-CD2 4.01Å; I461-L492 HydrophobicContact CD1-CG 4.28Å; I464-L492 HydrophobicContact CD1-CD2 4.13Å; I464-L492 HydrophobicContact CG1-CD2 3.9Å; I464-L492 HydrophobicContact CG2-CD2 4.11Å; F490-L492 HydrophobicContact CD2-CD2 4.06Å; F490-L492 HydrophobicContact CE2-CD2 4.01Å; L492-M494 HydrophobicContact CB-SD 4.27Å; L492-T550 HydrophobicContact CD1-CG2 4.01Å; L492-V554 HydrophobicContact CD1-CG2 4.25Å
493	L	94.3	Very high	80.5	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.1	170.7	-176.6	67.6	0	0	0	107.6	K407 F408 L462 L463	K407-L493 WeakPolarHBondContact O-CD1 3.19Å; F408-L493 HydrophobicContact CD1-CB 3.95Å; F408-L493 HydrophobicContact CE1-CB 4.27Å; L462-L493 HydrophobicContact CB-CD2 4.34Å; L462-L493 HydrophobicContact CB-CG 4.33Å; L462-L493 HydrophobicContact CD2-CD2 3.86Å; L462-L493 HydrophobicContact CD2-CG 4.43Å; L462-L493 HydrophobicContact CG-CD2 4.21Å; L462-L493 PolarHBondContact N-O 2.79Å; L463-L493 HydrophobicContact CB-CB 4Å; L463-L493 HydrophobicContact CB-CD2 4.17Å; L463-L493 HydrophobicContact CD1-CD2 3.87Å; L463-L493 HydrophobicContact CG-CD2 4.28Å; L463-L493 PolarHBondContact N-O 2.84Å; L463-L493 PolarHBondContact O-N 3.3Å
494	M	91	Very high	81.6	Confident	4 Å²	4	32 Å²	32	2%	0.02	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.5	-171.6	-53.3	-59.4	-66	0	0	111.2	D409 R460 I461 L492 Q499 R818	D409-M494 HydrophobicContact CB-CG 4.12Å; D409-M494 PolarHBondContact OD2-N 3.27Å; R460-M494 HydrophobicContact CB-CE 4.07Å; R460-M494 WeakPolarHBondContact O-CA 3.27Å; R460-M494 WeakPolarHBondContact O-CE 3.34Å; I461-M494 HydrophobicContact CG1-CE 4.47Å; I461-M494 HydrophobicContact CG1-SD 4.1Å; L492-M494 HydrophobicContact CB-SD 4.27Å; M494-Q499 HydrophobicContact CE-CB 3.99Å; M494-Q499 HydrophobicContact CE-CG 4.03Å; M494-R818 HydrophobicContact CB-CB 3.87Å; M494-R818 HydrophobicContact CB-CG 4.13Å; M494-R818 HydrophobicContact CG-CB 4.35Å
495	E	86.4	Confident	82.7	Confident	94 Å²	94	36.3 Å²	36.3	44%	0.439	19%	0.19	S	C	.	.	S	Bend	trans	-89.5	-48.5	179	-179.5	61	-163.9	0	0	111.7	D459 R460 L462 R818	D459-E495 WeakPolarHBondContact O-CB 3.28Å; R460-E495 PolarHBondContact O-N 2.93Å; L462-E495 HydrophobicContact CB-CB 4.01Å; L462-E495 WeakPolarHBondContact CB-OE2 3.18Å; L462-E495 VanDerWaalsContact CD1-OE2 3.24Å; L462-E495 WeakPolarHBondContact CD1-OE2 3.43Å; L462-E495 VanDerWaalsContact CD2-OE2 3.27Å; L462-E495 WeakPolarHBondContact CD2-OE2 3.32Å; L462-E495 WeakPolarHBondContact CG-OE2 3.33Å; E495-R818 VanDerWaalsContact O-CZ 3.3Å; E495-R818 PolarHBondContact O-NH1 3.2Å; E495-R818 PolarHBondContact O-NH2 3.14Å
496	S	70.9	Confident	83.9	Confident	36 Å²	36	35.5 Å²	35.5	25%	0.252	19%	0.186	S	C	.	.	S	Bend	trans	-113.2	157.5	-174.5	58.1	0	0	0	0	112.4	S498 R818	S496-S498 PolarHBondContact O-N 3.39Å; S496-S498 PolarHBondContact OG-OG 2.9Å; S496-R818 VanDerWaalsContact C-NH1 3.26Å
497	N	67.4	Low	84.8	Confident	70 Å²	70	32.7 Å²	32.7	37%	0.374	17%	0.166	S	C	.	.	S	Bend	trans	-72.4	29.1	173.1	-66	-15.4	0	0	0	112.4	H771 E773 R818	N497-H771 PolarHBondContact ND2-O 3.15Å; N497-H771 VanDerWaalsContact ND2-O 3.09Å; N497-E773 WeakPolarHBondContact CA-OE2 3.13Å; N497-E773 HydrophobicContact CB-CB 4.25Å; N497-R818 PolarHBondContact OD1-NH1 2.61Å
498	S	68.6	Low	85.2	Confident	15 Å²	15	36.5 Å²	36.5	11%	0.105	18%	0.176	C	C	.	.			trans	-101.3	14.3	179.6	65	0	0	0	0	111.4	R460 S496 T500 D501	R460-S498 WeakPolarHBondContact CG-OG 3.48Å; R460-S498 PolarHBondContact NH1-O 2.81Å; S496-S498 PolarHBondContact O-N 3.39Å; S496-S498 PolarHBondContact OG-OG 2.9Å; S498-T500 PolarHBondContact O-N 2.84Å; S498-T500 VanDerWaalsContact O-N 3.13Å; S498-D501 VanDerWaalsContact CB-OD2 3.22Å; S498-D501 WeakPolarHBondContact CB-OD2 3.36Å; S498-D501 WeakPolarHBondContact O-CB 3.29Å; S498-D501 PolarHBondContact O-N 2.98Å
499	Q	67.2	Low	85.3	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.033	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.9	-179.7	-179.5	178.9	-22.3	0	0	111.2	I410 M494 T550 R818 H819	I410-Q499 HydrophobicContact CD1-CG 4.4Å; M494-Q499 HydrophobicContact CE-CB 3.99Å; M494-Q499 HydrophobicContact CE-CG 4.03Å; Q499-T550 WeakPolarHBondContact CG-OG1 3.23Å; Q499-T550 PolarHBondContact O-OG1 2.89Å; Q499-R818 PolarHBondContact OE1-O 2.86Å; Q499-H819 PolarHBondContact NE2-CD2 2.92Å
500	T	72.7	Confident	85.3	Confident	20 Å²	20	47.4 Å²	47.4	12%	0.123	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.8	-177.8	67.8	0	0	0	0	115.1	S498 R502 R546 E773	S498-T500 PolarHBondContact O-N 2.84Å; S498-T500 VanDerWaalsContact O-N 3.13Å; T500-R502 PolarHBondContact O-N 2.67Å; T500-R546 WeakPolarHBondContact CA-O 2.97Å; T500-R546 WeakPolarHBondContact CB-O 3.34Å; T500-R546 HydrophobicContact CG2-CB 4.22Å; T500-R546 WeakPolarHBondContact CG2-O 3.38Å; T500-E773 VanDerWaalsContact CB-OE1 3.3Å; T500-E773 WeakPolarHBondContact CB-OE1 3.5Å; T500-E773 WeakPolarHBondContact CG2-OE1 3.26Å; T500-E773 PolarHBondContact OG1-OE1 3.45Å
501	D	81.5	Confident	85.2	Confident	79 Å²	79	51 Å²	51	42%	0.422	25%	0.247	S	C	.	.			trans	-67.9	108.5	-180	-81.1	-13.5	0	0	0	110.8	R460 S498 L503	R460-D501 PolarHBondContact NH1-O 2.77Å; R460-D501 PolarHBondContact NH2-O 2.89Å; S498-D501 VanDerWaalsContact CB-OD2 3.22Å; S498-D501 WeakPolarHBondContact CB-OD2 3.36Å; S498-D501 WeakPolarHBondContact O-CB 3.29Å; S498-D501 PolarHBondContact O-N 2.98Å; D501-L503 PolarHBondContact O-N 3.05Å
502	R	86.4	Confident	85.2	Confident	67 Å²	67	55.9 Å²	55.9	25%	0.253	28%	0.279	S	S	.	.			trans	-62.9	-20.7	177.4	-69.3	176.5	57.8	176.5	-8.9	113.5	T500 L540 F541 D542 E543 V549	T500-R502 PolarHBondContact O-N 2.67Å; R502-L540 HydrophobicContact CB-CD1 4.04Å; R502-L540 WeakPolarHBondContact O-CA 3.44Å; R502-F541 PolarHBondContact NE-O 3.1Å; R502-F541 PolarHBondContact NH2-O 3.36Å; R502-F541 PolarHBondContact O-N 3.48Å; R502-D542 IonicContact CZ-OD1 3.89Å; R502-D542 IonicContact NH2-OD1 2.86Å; R502-D542 PolarHBondContact NH2-OD1 3.01Å; R502-E543 WeakPolarHBondContact CD-O 3.1Å; R502-E543 PolarHBondContact NE-O 2.8Å; R502-E543 PolarHBondContact NH1-O 3.17Å; R502-V549 HydrophobicContact CG-CG2 3.79Å
503	L	89.5	Confident	85.1	Confident	59 Å²	59	61 Å²	61	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.1	-174.7	179.7	73.7	0	0	0	110.6	R460 D501 F530 A538 V539 L540	R460-L503 PolarHBondContact NH2-O 2.97Å; D501-L503 PolarHBondContact O-N 3.05Å; L503-F530 HydrophobicContact CD1-CE1 4.46Å; L503-F530 HydrophobicContact CD1-CZ 4.1Å; L503-F530 HydrophobicContact CD2-CE1 3.43Å; L503-F530 VanDerWaalsContact CD2-CE1 3.43Å; L503-F530 HydrophobicContact CD2-CZ 3.79Å; L503-F530 HydrophobicContact CG-CE1 4.49Å; L503-F530 HydrophobicContact CG-CZ 4.42Å; L503-A538 HydrophobicContact CD1-CB 4.02Å; L503-V539 WeakPolarHBondContact CA-O 3.19Å; L503-L540 HydrophobicContact CB-CD1 4.28Å; L503-L540 HydrophobicContact CD1-CD1 4.36Å
504	I	90.4	Very high	85.1	Confident	20 Å²	20	61 Å²	61	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.3	166.6	-58.4	173	0	0	0	107.1	F517 W521 A538 V539 F541 I553	I504-F517 HydrophobicContact CG2-CE2 4.44Å; I504-F517 HydrophobicContact CG2-CZ 4.43Å; I504-W521 HydrophobicContact CD1-CH2 3.52Å; I504-W521 HydrophobicContact CD1-CZ2 3.63Å; I504-W521 HydrophobicContact CD1-CZ3 4.47Å; I504-W521 HydrophobicContact CG2-CZ2 4.43Å; I504-A538 VanDerWaalsContact O-CA 3.32Å; I504-A538 WeakPolarHBondContact O-CA 3.05Å; I504-V539 HydrophobicContact CB-CB 4.3Å; I504-V539 PolarHBondContact N-O 3.04Å; I504-V539 PolarHBondContact O-N 2.99Å; I504-F541 HydrophobicContact CD1-CE2 3.96Å; I504-I553 HydrophobicContact CD1-CD1 4.01Å; I504-I553 HydrophobicContact CD1-CG1 4.32Å
505	R	89.9	Confident	85.2	Confident	131 Å²	131	63.8 Å²	63.8	49%	0.494	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.7	177.2	-167.2	-177.6	80.9	-170.3	6.6	109.6	F530 H533 C536	R505-F530 HydrophobicContact CG-CD2 4.24Å; R505-F530 HydrophobicContact CG-CE2 3.96Å; R505-F530 HydrophobicContact CG-CZ 4.35Å; R505-H533 PolarHBondContact NH1-CD2 3.43Å; R505-H533 PolarHBondContact NH1-CE1 2.94Å; R505-H533 VanDerWaalsContact NH1-CE1 3.25Å; R505-H533 PolarHBondContact NH1-ND1 3.18Å; R505-H533 PolarHBondContact NH1-NE2 3.09Å; R505-C536 HydrophobicContact CG-CB 4.48Å
506	G	91.9	Very high	85.6	Confident	8 Å²	8	66.2 Å²	66.2	8%	0.082	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-174	171.1	0	0	0	0	0	113.2	F517 E537	G506-F517 VanDerWaalsContact CA-CE2 3.5Å; G506-E537 CarbonylContact C-O 3.57Å; G506-E537 WeakPolarHBondContact CA-O 3.13Å; G506-E537 PolarHBondContact N-O 3.1Å
507	P	93	Very high	86.8	Confident	24 Å²	24	65.9 Å²	65.9	16%	0.156	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	167.2	177.3	30.7	-37.2	0	0	0	112.5	E511 Q513 A514 F517 C536 E537	P507-E511 WeakPolarHBondContact CA-OE2 3.48Å; P507-E511 HydrophobicContact CB-CB 4.19Å; P507-E511 WeakPolarHBondContact CB-OE2 3.4Å; P507-Q513 HydrophobicContact CB-CB 3.95Å; P507-Q513 HydrophobicContact CG-CB 3.86Å; P507-A514 VanDerWaalsContact CG-CA 3.47Å; P507-A514 HydrophobicContact CG-CB 4.01Å; P507-F517 HydrophobicContact CG-CB 4.07Å; P507-C536 VanDerWaalsContact O-CA 3.31Å; P507-C536 WeakPolarHBondContact O-CA 3.27Å; P507-C536 WeakPolarHBondContact O-CB 3.34Å; P507-E537 PolarHBondContact O-N 3.07Å
508	R	92	Very high	88.1	Confident	115 Å²	115	68.1 Å²	68.1	43%	0.434	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	151.1	175.6	-73	178.1	167.1	168.5	0.9	111	E510 E511 A514 H533	R508-E510 PolarHBondContact O-N 3.29Å; R508-E510 VanDerWaalsContact O-N 3.07Å; R508-E511 HydrophobicContact CB-CG 4.01Å; R508-E511 PolarHBondContact N-OE2 2.94Å; R508-E511 VanDerWaalsContact N-OE2 3.16Å; R508-E511 WeakPolarHBondContact O-CB 3.42Å; R508-E511 PolarHBondContact O-N 2.92Å; R508-A514 WeakPolarHBondContact O-CB 3.37Å; R508-H533 PolarHBondContact NE-O 3.49Å; R508-H533 PolarHBondContact NH2-O 3.13Å
509	T	90	Very high	89.4	Confident	56 Å²	56	74.4 Å²	74.4	34%	0.344	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.8	-178.1	-48.7	0	0	0	0	113.3	L527 T535	T509-L527 HydrophobicContact CG2-CD1 4.42Å; T509-L527 HydrophobicContact CG2-CD2 4.08Å; T509-L527 WeakPolarHBondContact OG1-CD2 3.36Å; T509-T535 PolarHBondContact N-O 2.83Å; T509-T535 PolarHBondContact OG1-O 3.1Å
510	E	89.4	Confident	90.8	Very high	188 Å²	188	74.8 Å²	74.8	88%	0.879	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-14.7	-178.9	-63.5	169.1	-170.6	0	0	113.4	R508	R508-E510 PolarHBondContact O-N 3.29Å; R508-E510 VanDerWaalsContact O-N 3.07Å
511	E	91.4	Very high	92	Very high	75 Å²	75	74 Å²	74	35%	0.35	36%	0.357	S	S	.	.	S	Bend	trans	-78.7	138.5	-178.5	-73.9	168.9	-165.6	0	0	110.7	P507 R508 Q513 A514	P507-E511 WeakPolarHBondContact CA-OE2 3.48Å; P507-E511 HydrophobicContact CB-CB 4.19Å; P507-E511 WeakPolarHBondContact CB-OE2 3.4Å; R508-E511 HydrophobicContact CB-CG 4.01Å; R508-E511 PolarHBondContact N-OE2 2.94Å; R508-E511 VanDerWaalsContact N-OE2 3.16Å; R508-E511 WeakPolarHBondContact O-CB 3.42Å; R508-E511 PolarHBondContact O-N 2.92Å; E511-Q513 PolarHBondContact O-N 3.29Å; E511-Q513 VanDerWaalsContact O-N 3.07Å; E511-A514 VanDerWaalsContact O-CB 3.25Å; E511-A514 WeakPolarHBondContact O-CB 3.47Å; E511-A514 PolarHBondContact O-N 2.96Å
512	P	90.8	Very high	92.6	Very high	103 Å²	103	71 Å²	71	67%	0.669	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.3	-179.9	23.9	-33	0	0	0	113	A514	P512-A514 PolarHBondContact O-N 3.07Å
513	Q	92.9	Very high	93	Very high	108 Å²	108	76.5 Å²	76.5	51%	0.505	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-22.4	174.1	-64.1	82.9	-6.8	0	0	112.6	P507 E511 A515 K516 F517	P507-Q513 HydrophobicContact CB-CB 3.95Å; P507-Q513 HydrophobicContact CG-CB 3.86Å; E511-Q513 PolarHBondContact O-N 3.29Å; E511-Q513 VanDerWaalsContact O-N 3.07Å; Q513-A515 PolarHBondContact O-N 3.27Å; Q513-K516 PolarHBondContact O-N 3.12Å; Q513-F517 WeakPolarHBondContact O-CB 3.46Å; Q513-F517 PolarHBondContact O-N 3.45Å
514	A	93.3	Very high	93.1	Very high	3 Å²	3	76.1 Å²	76.1	3%	0.025	37%	0.372	C	S	.	.	H	α-helix	trans	-64.2	-39.4	-179.5	0	0	0	0	0	113	P507 R508 E511 P512 K516 F517 R518 E537	P507-A514 VanDerWaalsContact CG-CA 3.47Å; P507-A514 HydrophobicContact CG-CB 4.01Å; R508-A514 WeakPolarHBondContact O-CB 3.37Å; E511-A514 VanDerWaalsContact O-CB 3.25Å; E511-A514 WeakPolarHBondContact O-CB 3.47Å; E511-A514 PolarHBondContact O-N 2.96Å; P512-A514 PolarHBondContact O-N 3.07Å; A514-K516 VanDerWaalsContact C-N 3.34Å; A514-K516 PolarHBondContact O-N 3.2Å; A514-F517 PolarHBondContact O-N 3.08Å; A514-R518 WeakPolarHBondContact O-CB 3.32Å; A514-R518 PolarHBondContact O-N 3.36Å; A514-E537 HydrophobicContact CB-CG 3.93Å
515	A	94.1	Very high	93.3	Very high	61 Å²	61	75.9 Å²	75.9	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-45.3	174.2	0	0	0	0	0	111.4	Q513 F517 R518 E519	Q513-A515 PolarHBondContact O-N 3.27Å; A515-F517 PolarHBondContact O-N 3.44Å; A515-R518 PolarHBondContact O-N 2.8Å; A515-E519 WeakPolarHBondContact O-CB 3.33Å; A515-E519 PolarHBondContact O-N 3.38Å
516	K	94.7	Very high	93.5	Very high	145 Å²	145	74.8 Å²	74.8	63%	0.63	37%	0.372	S	S	*	.	H	α-helix	trans	-64.8	-38.7	177.4	-64.2	-176.8	179.7	179.9	0	112.3	Q513 A514 E519 F520	Q513-K516 PolarHBondContact O-N 3.12Å; A514-K516 VanDerWaalsContact C-N 3.34Å; A514-K516 PolarHBondContact O-N 3.2Å; K516-E519 PolarHBondContact O-N 2.9Å; K516-F520 VanDerWaalsContact O-CB 3.28Å; K516-F520 WeakPolarHBondContact O-CB 3.35Å; K516-F520 PolarHBondContact O-N 3.07Å
517	F	95.9	Very high	93.6	Very high	29 Å²	29	78.8 Å²	78.8	13%	0.127	39%	0.391	C	S	.	.	H	α-helix	trans	-63.7	-46.9	176.1	-174.7	-83.5	0	0	0	110.9	I504 G506 P507 Q513 A514 A515 E519 F520 W521 S525 E537 V539	I504-F517 HydrophobicContact CG2-CE2 4.44Å; I504-F517 HydrophobicContact CG2-CZ 4.43Å; G506-F517 VanDerWaalsContact CA-CE2 3.5Å; P507-F517 HydrophobicContact CG-CB 4.07Å; Q513-F517 WeakPolarHBondContact O-CB 3.46Å; Q513-F517 PolarHBondContact O-N 3.45Å; A514-F517 PolarHBondContact O-N 3.08Å; A515-F517 PolarHBondContact O-N 3.44Å; F517-E519 PolarHBondContact O-N 3.13Å; F517-F520 PolarHBondContact O-N 2.88Å; F517-W521 AromaticContact CD1-CD1 3.69Å; F517-W521 AromaticContact CD2-CD1 3.78Å; F517-W521 AromaticContact CD2-NE1 3.84Å; F517-W521 AromaticContact CE1-CD1 3.42Å; F517-W521 VanDerWaalsContact CE1-CD1 3.42Å; F517-W521 HydrophobicContact CE1-CG 4.21Å; F517-W521 AromaticContact CE2-CD1 3.53Å; F517-W521 AromaticContact CE2-NE1 3.31Å; F517-W521 VanDerWaalsContact CE2-NE1 3.31Å; F517-W521 AromaticContact CG-CD1 3.87Å; F517-W521 AromaticContact CZ-CD1 3.34Å; F517-W521 HydrophobicContact CZ-CG 4.29Å; F517-W521 AromaticContact CZ-NE1 3.4Å; F517-W521 PolarHBondContact O-N 2.88Å; F517-S525 VanDerWaalsContact CD1-OG 3.3Å; F517-S525 WeakPolarHBondContact CD1-OG 3.33Å; F517-S525 WeakPolarHBondContact CE1-OG 3.48Å; F517-E537 HydrophobicContact CD1-CB 3.5Å; F517-E537 VanDerWaalsContact CD1-CB 3.5Å; F517-E537 HydrophobicContact CD1-CG 4.23Å; F517-E537 HydrophobicContact CE1-CB 3.84Å; F517-E537 HydrophobicContact CG-CB 4.25Å; F517-V539 HydrophobicContact CE1-CG2 4.02Å; F517-V539 HydrophobicContact CZ-CG2 4.05Å
518	R	94.9	Very high	93.7	Very high	118 Å²	118	81.7 Å²	81.7	45%	0.445	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176.9	-166.7	-172.6	-56	141.9	2.9	112	A514 A515 G522 E537	A514-R518 WeakPolarHBondContact O-CB 3.32Å; A514-R518 PolarHBondContact O-N 3.36Å; A515-R518 PolarHBondContact O-N 2.8Å; R518-G522 WeakPolarHBondContact O-CA 3.39Å; R518-G522 PolarHBondContact O-N 3.06Å; R518-E537 IonicContact CZ-OE1 2.71Å; R518-E537 IonicContact NE-OE1 2.69Å; R518-E537 PolarHBondContact NE-OE1 2.86Å; R518-E537 IonicContact NH2-OE1 2.63Å; R518-E537 PolarHBondContact NH2-OE1 3.33Å
519	E	95.6	Very high	93.6	Very high	146 Å²	146	84.8 Å²	84.8	68%	0.682	42%	0.416	S	S	*	.	H	α-helix	trans	-64.1	-42.6	174.5	-174	-176.2	-180	0	0	111.5	A515 K516 F517 R560	A515-E519 WeakPolarHBondContact O-CB 3.33Å; A515-E519 PolarHBondContact O-N 3.38Å; K516-E519 PolarHBondContact O-N 2.9Å; F517-E519 PolarHBondContact O-N 3.13Å; E519-R560 PolarHBondContact O-NH2 3.31Å
520	F	97.2	Very high	93.6	Very high	15 Å²	15	84.2 Å²	84.2	7%	0.066	41%	0.408	C	S	.	.	H	α-helix	trans	-66.5	-45.1	179.5	-178.4	-95.6	0	0	0	112.6	T452 Q455 A456 K516 F517 I557 R560 H561	T452-F520 HydrophobicContact CG2-CE2 3.82Å; T452-F520 HydrophobicContact CG2-CZ 4.05Å; T452-F520 WeakPolarHBondContact O-CZ 3.24Å; Q455-F520 HydrophobicContact CB-CE2 4.04Å; Q455-F520 HydrophobicContact CB-CZ 4Å; Q455-F520 HydrophobicContact CG-CD1 4.49Å; Q455-F520 HydrophobicContact CG-CD2 4.06Å; Q455-F520 HydrophobicContact CG-CE1 4.25Å; Q455-F520 HydrophobicContact CG-CE2 3.77Å; Q455-F520 HydrophobicContact CG-CG 4.4Å; Q455-F520 HydrophobicContact CG-CZ 3.87Å; A456-F520 HydrophobicContact CB-CE1 3.9Å; A456-F520 HydrophobicContact CB-CZ 3.91Å; K516-F520 VanDerWaalsContact O-CB 3.28Å; K516-F520 WeakPolarHBondContact O-CB 3.35Å; K516-F520 PolarHBondContact O-N 3.07Å; F517-F520 PolarHBondContact O-N 2.88Å; F520-I557 HydrophobicContact CE1-CD1 3.6Å; F520-I557 HydrophobicContact CZ-CD1 3.69Å; F520-R560 WeakPolarHBondContact O-CD 3.48Å; F520-R560 PolarHBondContact O-NE 3.34Å; F520-H561 AromaticContact CD2-CE1 3.65Å; F520-H561 AromaticContact CD2-NE2 3.72Å; F520-H561 AromaticContact CE2-CE1 3.8Å; F520-H561 AromaticContact CE2-NE2 3.59Å; F520-H561 AromaticContact CZ-NE2 3.95Å; F520-H561 PolarHBondContact O-NE2 2.89Å
521	W	97	Very high	93.5	Very high	4 Å²	4	84.5 Å²	84.5	2%	0.015	41%	0.41	C	S	.	.	H	α-helix	trans	-93.2	-11.7	-177.8	-70.4	107.4	0	0	0	114.8	A456 I504 F517 E523 L524 V539 F541 I553 Y556 I557	A456-W521 HydrophobicContact CB-CH2 4.02Å; A456-W521 HydrophobicContact CB-CZ2 4.18Å; A456-W521 WeakPolarHBondContact O-CZ2 3.37Å; I504-W521 HydrophobicContact CD1-CH2 3.52Å; I504-W521 HydrophobicContact CD1-CZ2 3.63Å; I504-W521 HydrophobicContact CD1-CZ3 4.47Å; I504-W521 HydrophobicContact CG2-CZ2 4.43Å; F517-W521 AromaticContact CD1-CD1 3.69Å; F517-W521 AromaticContact CD2-CD1 3.78Å; F517-W521 AromaticContact CD2-NE1 3.84Å; F517-W521 AromaticContact CE1-CD1 3.42Å; F517-W521 VanDerWaalsContact CE1-CD1 3.42Å; F517-W521 HydrophobicContact CE1-CG 4.21Å; F517-W521 AromaticContact CE2-CD1 3.53Å; F517-W521 AromaticContact CE2-NE1 3.31Å; F517-W521 VanDerWaalsContact CE2-NE1 3.31Å; F517-W521 AromaticContact CG-CD1 3.87Å; F517-W521 AromaticContact CZ-CD1 3.34Å; F517-W521 HydrophobicContact CZ-CG 4.29Å; F517-W521 AromaticContact CZ-NE1 3.4Å; F517-W521 PolarHBondContact O-N 2.88Å; W521-E523 PolarHBondContact O-N 3.34Å; W521-L524 PolarHBondContact O-N 3.18Å; W521-V539 HydrophobicContact CB-CG2 3.81Å; W521-V539 HydrophobicContact CD2-CG2 3.61Å; W521-V539 HydrophobicContact CE3-CG1 4.32Å; W521-V539 HydrophobicContact CE3-CG2 3.95Å; W521-V539 HydrophobicContact CG-CG2 3.54Å; W521-V539 HydrophobicContact CZ3-CG1 4.46Å; W521-F541 HydrophobicContact CZ3-CE2 4.47Å; W521-F541 HydrophobicContact CZ3-CZ 4.09Å; W521-I553 HydrophobicContact CH2-CG2 4.18Å; W521-Y556 AromaticContact CE3-CD1 3.93Å; W521-Y556 HydrophobicContact CE3-CD1 3.93Å; W521-Y556 AromaticContact CE3-CE1 3.88Å; W521-Y556 HydrophobicContact CE3-CE1 3.88Å; W521-Y556 AromaticContact CZ3-CD1 4Å; W521-Y556 HydrophobicContact CZ3-CD1 4Å; W521-Y556 HydrophobicContact CZ3-CE1 4.41Å; W521-Y556 PolarHBondContact O-OH 2.69Å; W521-I557 HydrophobicContact CE3-CD1 4.33Å; W521-I557 HydrophobicContact CH2-CD1 4.21Å; W521-I557 HydrophobicContact CZ3-CD1 3.93Å; W521-I557 HydrophobicContact CZ3-CG1 4.46Å
522	G	95.3	Very high	93.2	Very high	17 Å²	17	84.5 Å²	84.5	18%	0.175	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	49.2	-126.5	-178.1	0	0	0	0	0	113.7	R518 L524 S525	R518-G522 WeakPolarHBondContact O-CA 3.39Å; R518-G522 PolarHBondContact O-N 3.06Å; G522-L524 PolarHBondContact O-N 3.31Å; G522-S525 WeakPolarHBondContact O-CB 3.35Å; G522-S525 PolarHBondContact O-N 3.21Å
523	E	92.9	Very high	92.9	Very high	182 Å²	182	83.3 Å²	83.3	85%	0.85	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.8	-173.5	-60.6	177.2	-179.6	0	0	114.3	W521 S525	W521-E523 PolarHBondContact O-N 3.34Å; E523-S525 VanDerWaalsContact C-N 3.32Å
524	L	93.3	Very high	92.7	Very high	51 Å²	51	79.7 Å²	79.7	27%	0.267	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-78.1	-19.3	174.7	-73.7	-170	0	0	0	113	W521 G522 V539 F541 Y556	W521-L524 PolarHBondContact O-N 3.18Å; G522-L524 PolarHBondContact O-N 3.31Å; L524-V539 HydrophobicContact CB-CG1 4.02Å; L524-V539 HydrophobicContact CB-CG2 4.26Å; L524-V539 HydrophobicContact CD1-CG1 4.25Å; L524-F541 HydrophobicContact CD1-CE1 4.15Å; L524-F541 HydrophobicContact CD1-CZ 4.21Å; L524-Y556 HydrophobicContact CD1-CD1 3.76Å; L524-Y556 HydrophobicContact CD1-CD2 3.35Å; L524-Y556 HydrophobicContact CD1-CE1 3.77Å; L524-Y556 HydrophobicContact CD1-CE2 3.34Å; L524-Y556 HydrophobicContact CD1-CG 3.56Å; L524-Y556 HydrophobicContact CD2-CE2 4.49Å; L524-Y556 HydrophobicContact CG-CD2 4.04Å; L524-Y556 HydrophobicContact CG-CE1 4.26Å; L524-Y556 HydrophobicContact CG-CE2 3.51Å
525	S	94.7	Very high	92.6	Very high	15 Å²	15	82.7 Å²	82.7	11%	0.105	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.2	177.4	-157.7	0	0	0	0	110.3	F517 G522 E523 E537	F517-S525 VanDerWaalsContact CD1-OG 3.3Å; F517-S525 WeakPolarHBondContact CD1-OG 3.33Å; F517-S525 WeakPolarHBondContact CE1-OG 3.48Å; G522-S525 WeakPolarHBondContact O-CB 3.35Å; G522-S525 PolarHBondContact O-N 3.21Å; E523-S525 VanDerWaalsContact C-N 3.32Å; S525-E537 PolarHBondContact OG-OE2 3.32Å
526	Q	94.2	Very high	92.6	Very high	108 Å²	108	80 Å²	80	51%	0.505	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.5	177.7	-62.7	178.3	-1.1	0	0	110.5	R528 A538	Q526-R528 PolarHBondContact O-N 3.21Å; Q526-A538 PolarHBondContact N-O 2.79Å; Q526-A538 PolarHBondContact O-N 2.67Å
527	L	93.4	Very high	92.6	Very high	92 Å²	92	73.2 Å²	73.2	48%	0.482	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.8	173.9	-66.1	177.9	0	0	0	110.8	T509 T535 C536 E537	T509-L527 HydrophobicContact CG2-CD1 4.42Å; T509-L527 HydrophobicContact CG2-CD2 4.08Å; T509-L527 WeakPolarHBondContact OG1-CD2 3.36Å; L527-T535 HydrophobicContact CB-CG2 4.02Å; L527-T535 HydrophobicContact CD2-CG2 4.32Å; L527-C536 WeakPolarHBondContact CA-O 3.48Å; L527-E537 HydrophobicContact CD2-CG 4.22Å; L527-E537 WeakPolarHBondContact CD2-OE1 3.36Å
528	R	93.9	Very high	92.5	Very high	85 Å²	85	71.9 Å²	71.9	32%	0.321	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.6	175.6	-69.8	-171.1	174.7	-147.5	-3.8	111.4	Q526 F530 T535 C536 A538	Q526-R528 PolarHBondContact O-N 3.21Å; R528-F530 HydrophobicContact CB-CE2 3.78Å; R528-F530 HydrophobicContact CB-CZ 3.82Å; R528-F530 WeakPolarHBondContact O-CD2 3.45Å; R528-T535 WeakPolarHBondContact O-CA 3.43Å; R528-C536 PolarHBondContact N-O 3.1Å; R528-C536 PolarHBondContact O-N 3.36Å; R528-A538 HydrophobicContact CB-CB 4.23Å; R528-A538 HydrophobicContact CG-CB 4.3Å
529	K	91.6	Very high	92.5	Very high	180 Å²	180	66.2 Å²	66.2	78%	0.783	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.3	175.4	-168.9	175.4	-179.2	178.1	0	109.8	G534	K529-G534 WeakPolarHBondContact CA-O 3.44Å
530	F	89.8	Confident	92.2	Very high	43 Å²	43	61.9 Å²	61.9	19%	0.189	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.5	177.5	-65.8	-74.3	0	0	0	110.6	L503 R505 R528 G532 H533 G534 C536 A538	L503-F530 HydrophobicContact CD1-CE1 4.46Å; L503-F530 HydrophobicContact CD1-CZ 4.1Å; L503-F530 HydrophobicContact CD2-CE1 3.43Å; L503-F530 VanDerWaalsContact CD2-CE1 3.43Å; L503-F530 HydrophobicContact CD2-CZ 3.79Å; L503-F530 HydrophobicContact CG-CE1 4.49Å; L503-F530 HydrophobicContact CG-CZ 4.42Å; R505-F530 HydrophobicContact CG-CD2 4.24Å; R505-F530 HydrophobicContact CG-CE2 3.96Å; R505-F530 HydrophobicContact CG-CZ 4.35Å; R528-F530 HydrophobicContact CB-CE2 3.78Å; R528-F530 HydrophobicContact CB-CZ 3.82Å; R528-F530 WeakPolarHBondContact O-CD2 3.45Å; F530-G532 PolarHBondContact O-N 3.03Å; F530-H533 HydrophobicContact CB-CB 3.93Å; F530-H533 PolarHBondContact O-N 3.05Å; F530-H533 VanDerWaalsContact O-N 3.15Å; F530-G534 PolarHBondContact N-O 3.04Å; F530-G534 PolarHBondContact O-N 3.18Å; F530-G534 VanDerWaalsContact O-N 3.11Å; F530-C536 HydrophobicContact CD2-CB 3.94Å; F530-C536 HydrophobicContact CE2-CB 4.01Å; F530-A538 HydrophobicContact CE2-CB 4.05Å; F530-A538 HydrophobicContact CZ-CB 3.92Å
531	Q	87.4	Confident	91.7	Very high	195 Å²	195	62 Å²	62	91%	0.911	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	125.8	175.6	-168.3	175	-4.2	0	0	109.5	H533	Q531-H533 PolarHBondContact O-N 2.81Å
532	G	85	Confident	90.6	Very high	75 Å²	75	68.4 Å²	68.4	77%	0.773	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-18.8	-176.8	0	0	0	0	0	116.2	F530	F530-G532 PolarHBondContact O-N 3.03Å
533	H	82.7	Confident	89.2	Confident	77 Å²	77	70.2 Å²	70.2	36%	0.356	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-12.3	-176	-65.4	-75.8	0	0	0	115	R505 R508 F530 Q531	R505-H533 PolarHBondContact NH1-CD2 3.43Å; R505-H533 PolarHBondContact NH1-CE1 2.94Å; R505-H533 VanDerWaalsContact NH1-CE1 3.25Å; R505-H533 PolarHBondContact NH1-ND1 3.18Å; R505-H533 PolarHBondContact NH1-NE2 3.09Å; R508-H533 PolarHBondContact NE-O 3.49Å; R508-H533 PolarHBondContact NH2-O 3.13Å; F530-H533 HydrophobicContact CB-CB 3.93Å; F530-H533 PolarHBondContact O-N 3.05Å; F530-H533 VanDerWaalsContact O-N 3.15Å; Q531-H533 PolarHBondContact O-N 2.81Å
534	G	88.9	Confident	87.7	Confident	33 Å²	33	67.3 Å²	67.3	34%	0.34	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.8	-158.5	-179.2	0	0	0	0	0	112.6	K529 F530	K529-G534 WeakPolarHBondContact CA-O 3.44Å; F530-G534 PolarHBondContact N-O 3.04Å; F530-G534 PolarHBondContact O-N 3.18Å; F530-G534 VanDerWaalsContact O-N 3.11Å
535	T	92.8	Very high	86.2	Confident	66 Å²	66	68.9 Å²	68.9	41%	0.405	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115	177.8	-51.8	0	0	0	0	110.3	T509 L527 R528	T509-T535 PolarHBondContact N-O 2.83Å; T509-T535 PolarHBondContact OG1-O 3.1Å; L527-T535 HydrophobicContact CB-CG2 4.02Å; L527-T535 HydrophobicContact CD2-CG2 4.32Å; R528-T535 WeakPolarHBondContact O-CA 3.43Å
536	C	94.2	Very high	84.8	Confident	4 Å²	4	76.3 Å²	76.3	3%	0.027	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	156.1	178.7	-58.2	0	0	0	0	111	R505 P507 L527 R528 F530	R505-C536 HydrophobicContact CG-CB 4.48Å; P507-C536 VanDerWaalsContact O-CA 3.31Å; P507-C536 WeakPolarHBondContact O-CA 3.27Å; P507-C536 WeakPolarHBondContact O-CB 3.34Å; L527-C536 WeakPolarHBondContact CA-O 3.48Å; R528-C536 PolarHBondContact N-O 3.1Å; R528-C536 PolarHBondContact O-N 3.36Å; F530-C536 HydrophobicContact CD2-CB 3.94Å; F530-C536 HydrophobicContact CE2-CB 4.01Å
537	E	94.7	Very high	83.5	Confident	3 Å²	3	73.6 Å²	73.6	1%	0.014	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	144.6	158.3	-69.5	-68.4	167.2	0	0	109.4	G506 P507 A514 F517 R518 S525 L527	G506-E537 CarbonylContact C-O 3.57Å; G506-E537 WeakPolarHBondContact CA-O 3.13Å; G506-E537 PolarHBondContact N-O 3.1Å; P507-E537 PolarHBondContact O-N 3.07Å; A514-E537 HydrophobicContact CB-CG 3.93Å; F517-E537 HydrophobicContact CD1-CB 3.5Å; F517-E537 VanDerWaalsContact CD1-CB 3.5Å; F517-E537 HydrophobicContact CD1-CG 4.23Å; F517-E537 HydrophobicContact CE1-CB 3.84Å; F517-E537 HydrophobicContact CG-CB 4.25Å; R518-E537 IonicContact CZ-OE1 2.71Å; R518-E537 IonicContact NE-OE1 2.69Å; R518-E537 PolarHBondContact NE-OE1 2.86Å; R518-E537 IonicContact NH2-OE1 2.63Å; R518-E537 PolarHBondContact NH2-OE1 3.33Å; S525-E537 PolarHBondContact OG-OE2 3.32Å; L527-E537 HydrophobicContact CD2-CG 4.22Å; L527-E537 WeakPolarHBondContact CD2-OE1 3.36Å
538	A	93.5	Very high	82.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	151	178.3	0	0	0	0	0	111.6	L503 I504 Q526 R528 F530	L503-A538 HydrophobicContact CD1-CB 4.02Å; I504-A538 VanDerWaalsContact O-CA 3.32Å; I504-A538 WeakPolarHBondContact O-CA 3.05Å; Q526-A538 PolarHBondContact N-O 2.79Å; Q526-A538 PolarHBondContact O-N 2.67Å; R528-A538 HydrophobicContact CB-CB 4.23Å; R528-A538 HydrophobicContact CG-CB 4.3Å; F530-A538 HydrophobicContact CE2-CB 4.05Å; F530-A538 HydrophobicContact CZ-CB 3.92Å
539	V	93.7	Very high	82.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.5	170.8	173.3	0	0	0	0	108.6	L503 I504 F517 W521 L524 F541	L503-V539 WeakPolarHBondContact CA-O 3.19Å; I504-V539 HydrophobicContact CB-CB 4.3Å; I504-V539 PolarHBondContact N-O 3.04Å; I504-V539 PolarHBondContact O-N 2.99Å; F517-V539 HydrophobicContact CE1-CG2 4.02Å; F517-V539 HydrophobicContact CZ-CG2 4.05Å; W521-V539 HydrophobicContact CB-CG2 3.81Å; W521-V539 HydrophobicContact CD2-CG2 3.61Å; W521-V539 HydrophobicContact CE3-CG1 4.32Å; W521-V539 HydrophobicContact CE3-CG2 3.95Å; W521-V539 HydrophobicContact CG-CG2 3.54Å; W521-V539 HydrophobicContact CZ3-CG1 4.46Å; L524-V539 HydrophobicContact CB-CG1 4.02Å; L524-V539 HydrophobicContact CB-CG2 4.26Å; L524-V539 HydrophobicContact CD1-CG1 4.25Å; V539-F541 HydrophobicContact CG1-CD2 3.99Å; V539-F541 HydrophobicContact CG1-CE2 3.5Å; V539-F541 HydrophobicContact CG1-CZ 4.02Å
540	L	90.5	Very high	82.2	Confident	55 Å²	55	57.1 Å²	57.1	29%	0.288	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120	171.9	-177.7	77.1	0	0	0	109.5	R502 L503	R502-L540 HydrophobicContact CB-CD1 4.04Å; R502-L540 WeakPolarHBondContact O-CA 3.44Å; L503-L540 HydrophobicContact CB-CD1 4.28Å; L503-L540 HydrophobicContact CD1-CD1 4.36Å
541	F	87.3	Confident	82.1	Confident	16 Å²	16	55.6 Å²	55.6	7%	0.07	30%	0.301	C	S	.	.			trans	-81.3	118.9	167.8	-70.5	-90.1	0	0	0	109.6	R502 I504 W521 L524 V539 E543 V549 K552 I553	R502-F541 PolarHBondContact NE-O 3.1Å; R502-F541 PolarHBondContact NH2-O 3.36Å; R502-F541 PolarHBondContact O-N 3.48Å; I504-F541 HydrophobicContact CD1-CE2 3.96Å; W521-F541 HydrophobicContact CZ3-CE2 4.47Å; W521-F541 HydrophobicContact CZ3-CZ 4.09Å; L524-F541 HydrophobicContact CD1-CE1 4.15Å; L524-F541 HydrophobicContact CD1-CZ 4.21Å; V539-F541 HydrophobicContact CG1-CD2 3.99Å; V539-F541 HydrophobicContact CG1-CE2 3.5Å; V539-F541 HydrophobicContact CG1-CZ 4.02Å; F541-E543 VanDerWaalsContact C-N 3.29Å; F541-E543 PolarHBondContact O-N 2.7Å; F541-V549 HydrophobicContact CD2-CG1 4.38Å; F541-K552 HydrophobicContact CD1-CB 3.8Å; F541-K552 HydrophobicContact CE1-CB 4.03Å; F541-I553 HydrophobicContact CD2-CG1 4.16Å; F541-I553 HydrophobicContact CE1-CG1 4.14Å; F541-I553 HydrophobicContact CE2-CD1 4.22Å; F541-I553 HydrophobicContact CE2-CG1 3.43Å; F541-I553 VanDerWaalsContact CE2-CG1 3.43Å; F541-I553 HydrophobicContact CZ-CB 4.23Å; F541-I553 HydrophobicContact CZ-CG1 3.42Å; F541-I553 VanDerWaalsContact CZ-CG1 3.42Å
542	D	73.8	Confident	82.2	Confident	140 Å²	140	49.3 Å²	49.3	75%	0.749	27%	0.271	S	S	*	.			trans	-82.7	68.1	-179.5	-161.1	19.6	0	0	0	112.5	R502	R502-D542 IonicContact CZ-OD1 3.89Å; R502-D542 IonicContact NH2-OD1 2.86Å; R502-D542 PolarHBondContact NH2-OD1 3.01Å
543	E	64.3	Low	82.5	Confident	54 Å²	54	45.8 Å²	45.8	25%	0.252	23%	0.234	S	C	.	.			trans	-114.6	128.1	-177	-71.5	-67.2	167.5	0	0	112.4	R502 F541 Q545 K552	R502-E543 WeakPolarHBondContact CD-O 3.1Å; R502-E543 PolarHBondContact NE-O 2.8Å; R502-E543 PolarHBondContact NH1-O 3.17Å; F541-E543 VanDerWaalsContact C-N 3.29Å; F541-E543 PolarHBondContact O-N 2.7Å; E543-Q545 PolarHBondContact O-N 3.46Å; E543-K552 HydrophobicContact CG-CG 4.18Å; E543-K552 WeakPolarHBondContact OE1-CD 3.11Å; E543-K552 WeakPolarHBondContact OE1-CE 3.37Å
544	D	61.4	Low	83.1	Confident	121 Å²	121	42.1 Å²	42.1	65%	0.647	22%	0.217	S	C	*	.	S	Bend	trans	-63.4	-33	170.4	-86.7	-28.6	0	0	0	111.3	K587	D544-K587 IonicContact OD1-NZ 3.12Å; D544-K587 PolarHBondContact OD1-NZ 3.38Å; D544-K587 IonicContact OD2-NZ 3.63Å; D544-K587 PolarHBondContact OD2-NZ 3.26Å
545	Q	62.8	Low	83.4	Confident	85 Å²	85	42.4 Å²	42.4	40%	0.397	21%	0.209	S	C	.	.			trans	-106.4	99.9	-178.4	-67.6	-167.9	-20.2	0	0	111.6	E543 T547 T548	E543-Q545 PolarHBondContact O-N 3.46Å; Q545-T547 PolarHBondContact O-N 3Å; Q545-T548 HydrophobicContact CB-CG2 4.23Å; Q545-T548 PolarHBondContact O-N 3.48Å; Q545-T548 PolarHBondContact O-OG1 2.81Å
546	R	65.6	Low	83.5	Confident	170 Å²	170	41.6 Å²	41.6	64%	0.642	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-42.3	-35.5	172.6	-87.7	-169.9	-162.2	-165	4.6	115	T500 T548 V549	T500-R546 WeakPolarHBondContact CA-O 2.97Å; T500-R546 WeakPolarHBondContact CB-O 3.34Å; T500-R546 HydrophobicContact CG2-CB 4.22Å; T500-R546 WeakPolarHBondContact CG2-O 3.38Å; R546-T548 VanDerWaalsContact C-N 3.29Å; R546-T548 PolarHBondContact O-N 2.96Å; R546-V549 WeakPolarHBondContact O-CG2 3.39Å
547	T	66.9	Low	83.6	Confident	52 Å²	52	41.4 Å²	41.4	32%	0.319	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-66.2	-27.1	-178.6	55.2	0	0	0	0	113.6	Q545 V549	Q545-T547 PolarHBondContact O-N 3Å; T547-V549 PolarHBondContact O-N 3.38Å
548	T	77.2	Confident	83.8	Confident	10 Å²	10	41.3 Å²	41.3	6%	0.061	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-86.8	-5.6	-173.1	64.6	0	0	0	0	114.5	Q545 R546 T550 V551 K552	Q545-T548 HydrophobicContact CB-CG2 4.23Å; Q545-T548 PolarHBondContact O-N 3.48Å; Q545-T548 PolarHBondContact O-OG1 2.81Å; R546-T548 VanDerWaalsContact C-N 3.29Å; R546-T548 PolarHBondContact O-N 2.96Å; T548-T550 VanDerWaalsContact C-N 3.32Å; T548-T550 PolarHBondContact O-N 2.98Å; T548-V551 PolarHBondContact O-N 2.97Å; T548-V551 VanDerWaalsContact O-N 3.13Å; T548-K552 WeakPolarHBondContact O-CG 3.48Å; T548-K552 PolarHBondContact O-N 3.38Å
549	V	85.4	Confident	84	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-44	-174.2	173.6	0	0	0	0	111.5	R502 F541 R546 T547 V551 K552 I553	R502-V549 HydrophobicContact CG-CG2 3.79Å; F541-V549 HydrophobicContact CD2-CG1 4.38Å; R546-V549 WeakPolarHBondContact O-CG2 3.39Å; T547-V549 PolarHBondContact O-N 3.38Å; V549-V551 VanDerWaalsContact C-N 3.32Å; V549-V551 PolarHBondContact O-N 2.98Å; V549-K552 PolarHBondContact O-N 3.17Å; V549-I553 HydrophobicContact CG1-CD1 3.91Å; V549-I553 HydrophobicContact CG1-CG1 4.45Å; V549-I553 WeakPolarHBondContact O-CG1 3.48Å; V549-I553 PolarHBondContact O-N 3.07Å
550	T	87.7	Confident	84.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-41.2	179.1	-45.9	0	0	0	0	112.4	I410 F412 F457 L492 Q499 T548 I553 V554	I410-T550 HydrophobicContact CD1-CG2 3.38Å; F412-T550 HydrophobicContact CZ-CG2 4.49Å; F457-T550 HydrophobicContact CE1-CG2 3.68Å; F457-T550 HydrophobicContact CZ-CG2 3.72Å; L492-T550 HydrophobicContact CD1-CG2 4.01Å; Q499-T550 WeakPolarHBondContact CG-OG1 3.23Å; Q499-T550 PolarHBondContact O-OG1 2.89Å; T548-T550 VanDerWaalsContact C-N 3.32Å; T548-T550 PolarHBondContact O-N 2.98Å; T550-I553 PolarHBondContact O-N 3.24Å; T550-V554 PolarHBondContact O-N 3.27Å
551	V	87.9	Confident	84.4	Confident	10 Å²	10	50.6 Å²	50.6	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-41.7	177.8	-179.4	0	0	0	0	110.5	F412 T548 V549 I553 V554 E555 S571 D573	F412-V551 HydrophobicContact CE1-CB 4.44Å; F412-V551 HydrophobicContact CE1-CG1 4.37Å; F412-V551 HydrophobicContact CE1-CG2 4.23Å; F412-V551 HydrophobicContact CZ-CG2 4.37Å; T548-V551 PolarHBondContact O-N 2.97Å; T548-V551 VanDerWaalsContact O-N 3.13Å; V549-V551 VanDerWaalsContact C-N 3.32Å; V549-V551 PolarHBondContact O-N 2.98Å; V551-I553 PolarHBondContact O-N 3.18Å; V551-V554 PolarHBondContact O-N 3.45Å; V551-E555 HydrophobicContact CG1-CG 4.28Å; V551-E555 WeakPolarHBondContact O-CG 3.46Å; V551-E555 PolarHBondContact O-N 3.04Å; V551-S571 VanDerWaalsContact CG2-OG 3.23Å; V551-S571 WeakPolarHBondContact CG2-OG 3.37Å; V551-D573 HydrophobicContact CG2-CB 3.58Å; V551-D573 VanDerWaalsContact CG2-OD2 3.28Å; V551-D573 WeakPolarHBondContact CG2-OD2 3.3Å
552	K	89.3	Confident	84.8	Confident	64 Å²	64	50 Å²	50	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-38.3	178.5	-69	-73.6	163.3	-153.5	0	113	F541 E543 T548 V549 E555 Y556	F541-K552 HydrophobicContact CD1-CB 3.8Å; F541-K552 HydrophobicContact CE1-CB 4.03Å; E543-K552 HydrophobicContact CG-CG 4.18Å; E543-K552 WeakPolarHBondContact OE1-CD 3.11Å; E543-K552 WeakPolarHBondContact OE1-CE 3.37Å; T548-K552 WeakPolarHBondContact O-CG 3.48Å; T548-K552 PolarHBondContact O-N 3.38Å; V549-K552 PolarHBondContact O-N 3.17Å; K552-E555 WeakPolarHBondContact CD-OE2 3.45Å; K552-E555 IonicContact NZ-OE2 2.66Å; K552-E555 PolarHBondContact NZ-OE2 2.68Å; K552-E555 PolarHBondContact O-N 3.37Å; K552-Y556 VanDerWaalsContact O-CB 3.29Å; K552-Y556 WeakPolarHBondContact O-CB 3.22Å; K552-Y556 PolarHBondContact O-N 3.28Å
553	I	93.1	Very high	85.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-49.8	172.7	-67.2	162.5	0	0	0	109.5	A456 F457 I504 W521 F541 V549 T550 V551 Y556 I557	A456-I553 HydrophobicContact CB-CG2 4.18Å; F457-I553 HydrophobicContact CD1-CD1 4.19Å; F457-I553 HydrophobicContact CD1-CG2 4.35Å; F457-I553 HydrophobicContact CD2-CG2 4.1Å; F457-I553 HydrophobicContact CE1-CB 3.97Å; F457-I553 HydrophobicContact CE1-CD1 3.61Å; F457-I553 HydrophobicContact CE1-CG1 4.39Å; F457-I553 HydrophobicContact CE1-CG2 3.81Å; F457-I553 HydrophobicContact CE2-CB 4.28Å; F457-I553 HydrophobicContact CE2-CG2 3.56Å; F457-I553 HydrophobicContact CG-CG2 4.48Å; F457-I553 HydrophobicContact CZ-CB 3.63Å; F457-I553 HydrophobicContact CZ-CD1 4.2Å; F457-I553 HydrophobicContact CZ-CG2 3.39Å; I504-I553 HydrophobicContact CD1-CD1 4.01Å; I504-I553 HydrophobicContact CD1-CG1 4.32Å; W521-I553 HydrophobicContact CH2-CG2 4.18Å; F541-I553 HydrophobicContact CD2-CG1 4.16Å; F541-I553 HydrophobicContact CE1-CG1 4.14Å; F541-I553 HydrophobicContact CE2-CD1 4.22Å; F541-I553 HydrophobicContact CE2-CG1 3.43Å; F541-I553 VanDerWaalsContact CE2-CG1 3.43Å; F541-I553 HydrophobicContact CZ-CB 4.23Å; F541-I553 HydrophobicContact CZ-CG1 3.42Å; F541-I553 VanDerWaalsContact CZ-CG1 3.42Å; V549-I553 HydrophobicContact CG1-CD1 3.91Å; V549-I553 HydrophobicContact CG1-CG1 4.45Å; V549-I553 WeakPolarHBondContact O-CG1 3.48Å; V549-I553 PolarHBondContact O-N 3.07Å; T550-I553 PolarHBondContact O-N 3.24Å; V551-I553 PolarHBondContact O-N 3.18Å; I553-Y556 PolarHBondContact O-N 3.09Å; I553-I557 HydrophobicContact CG2-CG1 4.22Å; I553-I557 WeakPolarHBondContact O-CB 3.48Å; I553-I557 WeakPolarHBondContact O-CG1 3.34Å; I553-I557 PolarHBondContact O-N 2.81Å
554	V	94.3	Very high	87.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-49	178.4	175.1	0	0	0	0	111.4	F412 L453 F457 F490 L492 T550 V551 Y556 I557 M558 I569	F412-V554 HydrophobicContact CD1-CB 4.25Å; F412-V554 HydrophobicContact CD1-CG1 3.86Å; F412-V554 HydrophobicContact CD1-CG2 4.39Å; F412-V554 HydrophobicContact CE1-CB 3.73Å; F412-V554 HydrophobicContact CE1-CG1 3.87Å; F412-V554 HydrophobicContact CE1-CG2 3.77Å; F412-V554 HydrophobicContact CE2-CG2 3.93Å; F412-V554 HydrophobicContact CG-CG1 4.39Å; F412-V554 HydrophobicContact CZ-CB 4.02Å; F412-V554 HydrophobicContact CZ-CG1 4.44Å; F412-V554 HydrophobicContact CZ-CG2 3.52Å; L453-V554 HydrophobicContact CD2-CG2 4.14Å; F457-V554 HydrophobicContact CE2-CG2 3.87Å; F457-V554 HydrophobicContact CZ-CG2 3.94Å; F490-V554 HydrophobicContact CZ-CG1 4.05Å; L492-V554 HydrophobicContact CD1-CG2 4.25Å; T550-V554 PolarHBondContact O-N 3.27Å; V551-V554 PolarHBondContact O-N 3.45Å; V554-Y556 VanDerWaalsContact C-N 3.27Å; V554-Y556 PolarHBondContact O-N 2.72Å; V554-I557 PolarHBondContact O-N 2.91Å; V554-M558 HydrophobicContact CG1-CE 4.18Å; V554-M558 HydrophobicContact CG1-CG 3.91Å; V554-M558 VanDerWaalsContact O-CB 3.3Å; V554-M558 WeakPolarHBondContact O-CB 3.39Å; V554-M558 WeakPolarHBondContact O-CG 3.27Å; V554-M558 PolarHBondContact O-N 2.75Å; V554-I569 HydrophobicContact CG1-CG2 4.24Å
555	E	94.2	Very high	89.1	Confident	39 Å²	39	41.3 Å²	41.3	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-53.6	-45.9	177.3	-74.3	176.6	171.9	0	0	111.7	V551 K552 Q559 K566 I569	V551-E555 HydrophobicContact CG1-CG 4.28Å; V551-E555 WeakPolarHBondContact O-CG 3.46Å; V551-E555 PolarHBondContact O-N 3.04Å; K552-E555 WeakPolarHBondContact CD-OE2 3.45Å; K552-E555 IonicContact NZ-OE2 2.66Å; K552-E555 PolarHBondContact NZ-OE2 2.68Å; K552-E555 PolarHBondContact O-N 3.37Å; E555-Q559 WeakPolarHBondContact O-CB 3.4Å; E555-Q559 PolarHBondContact O-N 2.91Å; E555-Q559 VanDerWaalsContact O-N 3.08Å; E555-K566 HydrophobicContact CB-CB 4.37Å; E555-K566 HydrophobicContact CG-CB 4.07Å; E555-I569 HydrophobicContact CG-CD1 4.37Å
556	Y	95.7	Very high	90.5	Very high	50 Å²	50	42.8 Å²	42.8	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-50.3	179.1	-176.3	-98.1	0	0	0	112.4	W521 L524 K552 I553 V554 M558 Q559 R560	W521-Y556 AromaticContact CE3-CD1 3.93Å; W521-Y556 HydrophobicContact CE3-CD1 3.93Å; W521-Y556 AromaticContact CE3-CE1 3.88Å; W521-Y556 HydrophobicContact CE3-CE1 3.88Å; W521-Y556 AromaticContact CZ3-CD1 4Å; W521-Y556 HydrophobicContact CZ3-CD1 4Å; W521-Y556 HydrophobicContact CZ3-CE1 4.41Å; W521-Y556 PolarHBondContact O-OH 2.69Å; L524-Y556 HydrophobicContact CD1-CD1 3.76Å; L524-Y556 HydrophobicContact CD1-CD2 3.35Å; L524-Y556 HydrophobicContact CD1-CE1 3.77Å; L524-Y556 HydrophobicContact CD1-CE2 3.34Å; L524-Y556 HydrophobicContact CD1-CG 3.56Å; L524-Y556 HydrophobicContact CD2-CE2 4.49Å; L524-Y556 HydrophobicContact CG-CD2 4.04Å; L524-Y556 HydrophobicContact CG-CE1 4.26Å; L524-Y556 HydrophobicContact CG-CE2 3.51Å; K552-Y556 VanDerWaalsContact O-CB 3.29Å; K552-Y556 WeakPolarHBondContact O-CB 3.22Å; K552-Y556 PolarHBondContact O-N 3.28Å; I553-Y556 PolarHBondContact O-N 3.09Å; V554-Y556 VanDerWaalsContact C-N 3.27Å; V554-Y556 PolarHBondContact O-N 2.72Å; Y556-M558 VanDerWaalsContact C-N 3.34Å; Y556-M558 PolarHBondContact O-N 2.86Å; Y556-Q559 PolarHBondContact O-N 3.49Å; Y556-R560 HydrophobicContact CE1-CB 4.27Å; Y556-R560 VanDerWaalsContact O-CB 3.3Å; Y556-R560 WeakPolarHBondContact O-CB 3.26Å; Y556-R560 PolarHBondContact O-N 2.95Å; Y556-R560 WeakPolarHBondContact OH-CD 3.43Å
557	I	97.1	Very high	91.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-41.6	-177.2	-68.1	-62.8	0	0	0	111.2	T452 L453 A456 F520 W521 I553 V554 R560 H561	T452-I557 HydrophobicContact CG2-CG2 3.58Å; L453-I557 HydrophobicContact CD2-CG2 4.2Å; A456-I557 HydrophobicContact CB-CD1 3.58Å; A456-I557 HydrophobicContact CB-CG1 3.57Å; F520-I557 HydrophobicContact CE1-CD1 3.6Å; F520-I557 HydrophobicContact CZ-CD1 3.69Å; W521-I557 HydrophobicContact CE3-CD1 4.33Å; W521-I557 HydrophobicContact CH2-CD1 4.21Å; W521-I557 HydrophobicContact CZ3-CD1 3.93Å; W521-I557 HydrophobicContact CZ3-CG1 4.46Å; I553-I557 HydrophobicContact CG2-CG1 4.22Å; I553-I557 WeakPolarHBondContact O-CB 3.48Å; I553-I557 WeakPolarHBondContact O-CG1 3.34Å; I553-I557 PolarHBondContact O-N 2.81Å; V554-I557 PolarHBondContact O-N 2.91Å; I557-R560 PolarHBondContact O-N 3.43Å; I557-H561 WeakPolarHBondContact O-CB 3.36Å; I557-H561 PolarHBondContact O-N 3.02Å
558	M	97.6	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-43.7	176.9	-69.1	-55.9	143.6	0	0	111.8	L414 I449 L453 F490 V554 Y556 F562 S563 I564 I569	L414-M558 HydrophobicContact CD1-CG 4.49Å; L414-M558 HydrophobicContact CD1-SD 4.43Å; L414-M558 HydrophobicContact CD2-SD 4.46Å; I449-M558 HydrophobicContact CG2-CE 3.97Å; L453-M558 HydrophobicContact CD1-CE 3.83Å; L453-M558 HydrophobicContact CD2-CE 3.7Å; L453-M558 HydrophobicContact CG-CE 3.87Å; F490-M558 HydrophobicContact CZ-CE 4.3Å; V554-M558 HydrophobicContact CG1-CE 4.18Å; V554-M558 HydrophobicContact CG1-CG 3.91Å; V554-M558 VanDerWaalsContact O-CB 3.3Å; V554-M558 WeakPolarHBondContact O-CB 3.39Å; V554-M558 WeakPolarHBondContact O-CG 3.27Å; V554-M558 PolarHBondContact O-N 2.75Å; Y556-M558 VanDerWaalsContact C-N 3.34Å; Y556-M558 PolarHBondContact O-N 2.86Å; M558-F562 CarbonylContact O-C 3.36Å; M558-F562 WeakPolarHBondContact O-CA 3.47Å; M558-F562 WeakPolarHBondContact O-CB 3.46Å; M558-F562 PolarHBondContact O-N 2.84Å; M558-F562 VanDerWaalsContact O-N 3.13Å; M558-F562 HydrophobicContact SD-CD2 4.11Å; M558-S563 PolarHBondContact O-N 3.06Å; M558-I564 HydrophobicContact CB-CB 4.03Å; M558-I564 HydrophobicContact CB-CG2 4.38Å; M558-I564 PolarHBondContact O-N 3.21Å; M558-I564 VanDerWaalsContact O-N 3.09Å; M558-I564 HydrophobicContact SD-CD1 4.26Å; M558-I569 HydrophobicContact CB-CD1 3.4Å; M558-I569 VanDerWaalsContact CB-CD1 3.4Å; M558-I569 HydrophobicContact CB-CG1 4.45Å; M558-I569 HydrophobicContact CG-CD1 3.68Å; M558-I569 HydrophobicContact CG-CG1 4.46Å
559	Q	97.3	Very high	93.3	Very high	98 Å²	98	38.4 Å²	38.4	46%	0.458	19%	0.188	S	C	.	.	H	α-helix	trans	-64.3	-48	176	177.9	60	43	0	0	111.5	E555 Y556 S563 I564 P565	E555-Q559 WeakPolarHBondContact O-CB 3.4Å; E555-Q559 PolarHBondContact O-N 2.91Å; E555-Q559 VanDerWaalsContact O-N 3.08Å; Y556-Q559 PolarHBondContact O-N 3.49Å; Q559-S563 VanDerWaalsContact O-CA 3.25Å; Q559-S563 WeakPolarHBondContact O-CA 3.42Å; Q559-S563 PolarHBondContact O-N 3.39Å; Q559-S563 VanDerWaalsContact O-N 3.11Å; Q559-I564 WeakPolarHBondContact CA-O 3.48Å; Q559-I564 PolarHBondContact N-O 2.68Å; Q559-I564 PolarHBondContact OE1-O 2.86Å; Q559-I564 VanDerWaalsContact OE1-O 3.12Å; Q559-P565 VanDerWaalsContact OE1-CA 3.28Å
560	R	96.4	Very high	93.3	Very high	98 Å²	98	44.3 Å²	44.3	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-68.3	-47.4	-173.5	179.8	172.2	-176.7	73.6	7.3	113.2	E519 F520 Y556 I557	E519-R560 PolarHBondContact O-NH2 3.31Å; F520-R560 WeakPolarHBondContact O-CD 3.48Å; F520-R560 PolarHBondContact O-NE 3.34Å; Y556-R560 HydrophobicContact CE1-CB 4.27Å; Y556-R560 VanDerWaalsContact O-CB 3.3Å; Y556-R560 WeakPolarHBondContact O-CB 3.26Å; Y556-R560 PolarHBondContact O-N 2.95Å; Y556-R560 WeakPolarHBondContact OH-CD 3.43Å; I557-R560 PolarHBondContact O-N 3.43Å
561	H	96.6	Very high	93.1	Very high	55 Å²	55	45 Å²	45	26%	0.255	22%	0.215	S	C	.	.	H	α-helix	trans	-96.5	-20.1	-170.5	-66.4	-79.1	0	0	0	113.8	T452 F520 I557	T452-H561 HydrophobicContact CG2-CB 4.06Å; F520-H561 AromaticContact CD2-CE1 3.65Å; F520-H561 AromaticContact CD2-NE2 3.72Å; F520-H561 AromaticContact CE2-CE1 3.8Å; F520-H561 AromaticContact CE2-NE2 3.59Å; F520-H561 AromaticContact CZ-NE2 3.95Å; F520-H561 PolarHBondContact O-NE2 2.89Å; I557-H561 WeakPolarHBondContact O-CB 3.36Å; I557-H561 PolarHBondContact O-N 3.02Å
562	F	97	Very high	92.4	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-127.4	2.6	-174.9	-55.3	-82.3	0	0	0	113.4	L420 F423 K448 I449 T452 M558 I564	L420-F562 HydrophobicContact CD2-CB 4.3Å; L420-F562 HydrophobicContact CD2-CD1 4.06Å; L420-F562 HydrophobicContact CD2-CG 4.42Å; F423-F562 HydrophobicContact CD1-CD1 4.06Å; F423-F562 HydrophobicContact CD1-CE1 4.34Å; F423-F562 AromaticContact CD2-CD1 3.88Å; F423-F562 HydrophobicContact CD2-CD1 3.88Å; F423-F562 HydrophobicContact CD2-CE1 4.43Å; F423-F562 HydrophobicContact CE1-CD1 4.11Å; F423-F562 AromaticContact CE1-CE1 3.94Å; F423-F562 HydrophobicContact CE1-CE1 3.94Å; F423-F562 AromaticContact CE2-CD1 3.93Å; F423-F562 HydrophobicContact CE2-CD1 3.93Å; F423-F562 HydrophobicContact CE2-CE1 4.03Å; F423-F562 AromaticContact CG-CD1 3.96Å; F423-F562 HydrophobicContact CG-CD1 3.96Å; F423-F562 HydrophobicContact CZ-CD1 4.07Å; F423-F562 AromaticContact CZ-CE1 3.79Å; F423-F562 HydrophobicContact CZ-CE1 3.79Å; K448-F562 HydrophobicContact CB-CE1 4.48Å; K448-F562 HydrophobicContact CG-CE1 4.02Å; K448-F562 HydrophobicContact CG-CZ 4.12Å; I449-F562 HydrophobicContact CB-CZ 4.28Å; I449-F562 HydrophobicContact CG1-CD1 4.29Å; I449-F562 HydrophobicContact CG1-CE1 3.76Å; I449-F562 HydrophobicContact CG1-CE2 4.12Å; I449-F562 HydrophobicContact CG1-CZ 3.68Å; T452-F562 HydrophobicContact CG2-CE2 4.18Å; M558-F562 CarbonylContact O-C 3.36Å; M558-F562 WeakPolarHBondContact O-CA 3.47Å; M558-F562 WeakPolarHBondContact O-CB 3.46Å; M558-F562 PolarHBondContact O-N 2.84Å; M558-F562 VanDerWaalsContact O-N 3.13Å; M558-F562 HydrophobicContact SD-CD2 4.11Å; F562-I564 HydrophobicContact CB-CD1 3.57Å; F562-I564 HydrophobicContact CB-CG1 3.68Å; F562-I564 HydrophobicContact CG-CD1 4.39Å; F562-I564 PolarHBondContact O-N 3.15Å
563	S	97.1	Very high	91.3	Very high	85 Å²	85	41.9 Å²	41.9	59%	0.594	20%	0.201	S	C	*	.			trans	55.4	33.8	-175.8	-56.9	0	0	0	0	113	C419 M558 Q559	C419-S563 PolarHBondContact SG-O 2.8Å; M558-S563 PolarHBondContact O-N 3.06Å; Q559-S563 VanDerWaalsContact O-CA 3.25Å; Q559-S563 WeakPolarHBondContact O-CA 3.42Å; Q559-S563 PolarHBondContact O-N 3.39Å; Q559-S563 VanDerWaalsContact O-N 3.11Å
564	I	97.1	Very high	89.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.217	C	C	.	.			trans	-96.3	118.1	-178.1	-59.6	174.7	0	0	0	109.6	L414 A416 C419 L420 M558 Q559 F562 A568 I569	L414-I564 HydrophobicContact CD1-CD1 3.97Å; L414-I564 HydrophobicContact CD1-CG2 3.82Å; L414-I564 HydrophobicContact CD2-CD1 4Å; L414-I564 HydrophobicContact CG-CD1 4.34Å; A416-I564 HydrophobicContact CB-CB 4.19Å; A416-I564 HydrophobicContact CB-CD1 3.61Å; A416-I564 HydrophobicContact CB-CG1 3.71Å; A416-I564 HydrophobicContact CB-CG2 3.47Å; A416-I564 VanDerWaalsContact CB-CG2 3.47Å; C419-I564 HydrophobicContact CB-CG1 3.76Å; L420-I564 HydrophobicContact CD2-CD1 3.87Å; L420-I564 HydrophobicContact CG-CD1 4.08Å; M558-I564 HydrophobicContact CB-CB 4.03Å; M558-I564 HydrophobicContact CB-CG2 4.38Å; M558-I564 PolarHBondContact O-N 3.21Å; M558-I564 VanDerWaalsContact O-N 3.09Å; M558-I564 HydrophobicContact SD-CD1 4.26Å; Q559-I564 WeakPolarHBondContact CA-O 3.48Å; Q559-I564 PolarHBondContact N-O 2.68Å; Q559-I564 PolarHBondContact OE1-O 2.86Å; Q559-I564 VanDerWaalsContact OE1-O 3.12Å; F562-I564 HydrophobicContact CB-CD1 3.57Å; F562-I564 HydrophobicContact CB-CG1 3.68Å; F562-I564 HydrophobicContact CG-CD1 4.39Å; F562-I564 PolarHBondContact O-N 3.15Å; I564-A568 HydrophobicContact CG2-CB 3.86Å; I564-I569 HydrophobicContact CG2-CD1 4.27Å; I564-I569 HydrophobicContact CG2-CG1 4.12Å
565	P	95.8	Very high	87.7	Confident	48 Å²	48	46 Å²	46	31%	0.312	23%	0.226	S	C	.	.			trans	-69.9	150.2	180	31.2	-36.3	0	0	0	111.8	Q559 E567 A568	Q559-P565 VanDerWaalsContact OE1-CA 3.28Å; P565-E567 WeakPolarHBondContact CB-OE2 3.49Å; P565-E567 PolarHBondContact O-N 3.29Å; P565-E567 VanDerWaalsContact O-N 3.1Å; P565-A568 HydrophobicContact CG-CB 4.16Å; P565-A568 WeakPolarHBondContact O-CB 2.94Å; P565-A568 PolarHBondContact O-N 2.73Å
566	K	90.8	Very high	85.9	Confident	116 Å²	116	44.6 Å²	44.6	50%	0.504	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-55.7	-29.8	179.5	65.6	-176.4	179.7	-173.6	0	113.1	E555 A568 I569	E555-K566 HydrophobicContact CB-CB 4.37Å; E555-K566 HydrophobicContact CG-CB 4.07Å; K566-A568 PolarHBondContact O-N 2.84Å; K566-I569 PolarHBondContact O-N 3.23Å; K566-I569 VanDerWaalsContact O-N 3.08Å; K566-I569 VanDerWaalsContact O-O 3.13Å
567	E	89.8	Confident	83.7	Confident	116 Å²	116	44.3 Å²	44.3	54%	0.542	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-65.8	-25.3	179.4	-64.7	72	-156.4	0	0	113	P565 I569	P565-E567 WeakPolarHBondContact CB-OE2 3.49Å; P565-E567 PolarHBondContact O-N 3.29Å; P565-E567 VanDerWaalsContact O-N 3.1Å; E567-I569 VanDerWaalsContact C-N 3.27Å
568	A	90.1	Very high	81.4	Confident	16 Å²	16	47 Å²	47	13%	0.132	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-81.1	-6.6	176.3	0	0	0	0	0	113.1	N415 A416 I564 P565 K566	N415-A568 PolarHBondContact N-O 2.94Å; N415-A568 WeakPolarHBondContact O-CB 3.46Å; A416-A568 HydrophobicContact CB-CB 4.31Å; I564-A568 HydrophobicContact CG2-CB 3.86Å; P565-A568 HydrophobicContact CG-CB 4.16Å; P565-A568 WeakPolarHBondContact O-CB 2.94Å; P565-A568 PolarHBondContact O-N 2.73Å; K566-A568 PolarHBondContact O-N 2.84Å
569	I	89.2	Confident	79	Confident	7 Å²	7	49 Å²	49	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.9	-176.8	-54.7	164.9	0	0	0	108.6	F412 T413 L414 V554 E555 M558 I564 K566 E567	F412-I569 HydrophobicContact CD1-CG2 4.03Å; T413-I569 WeakPolarHBondContact O-CA 3.21Å; L414-I569 HydrophobicContact CD1-CG1 3.77Å; V554-I569 HydrophobicContact CG1-CG2 4.24Å; E555-I569 HydrophobicContact CG-CD1 4.37Å; M558-I569 HydrophobicContact CB-CD1 3.4Å; M558-I569 VanDerWaalsContact CB-CD1 3.4Å; M558-I569 HydrophobicContact CB-CG1 4.45Å; M558-I569 HydrophobicContact CG-CD1 3.68Å; M558-I569 HydrophobicContact CG-CG1 4.46Å; I564-I569 HydrophobicContact CG2-CD1 4.27Å; I564-I569 HydrophobicContact CG2-CG1 4.12Å; K566-I569 PolarHBondContact O-N 3.23Å; K566-I569 VanDerWaalsContact O-N 3.08Å; K566-I569 VanDerWaalsContact O-O 3.13Å; E567-I569 VanDerWaalsContact C-N 3.27Å
570	R	84.8	Confident	76.4	Confident	125 Å²	125	47 Å²	47	47%	0.472	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.9	173.9	-58.2	-66.7	172.3	151.9	-1.9	109.1	F412 T413	F412-R570 CarbonylContact C-O 3.55Å; F412-R570 WeakPolarHBondContact CA-O 3.04Å; T413-R570 PolarHBondContact N-O 2.92Å; T413-R570 PolarHBondContact O-N 3.47Å
571	S	84	Confident	74	Confident	16 Å²	16	49 Å²	49	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.9	177.2	67.9	0	0	0	0	112	C411 V551 D573 S574	C411-S571 VanDerWaalsContact O-CA 3.3Å; C411-S571 WeakPolarHBondContact O-CA 3.33Å; V551-S571 VanDerWaalsContact CG2-OG 3.23Å; V551-S571 WeakPolarHBondContact CG2-OG 3.37Å; S571-D573 VanDerWaalsContact C-N 3.31Å; S571-S574 PolarHBondContact O-OG 2.83Å
572	N	72.5	Confident	71.2	Confident	2 Å²	2	54 Å²	54	1%	0.011	28%	0.282	C	S	.	.	S	Bend	trans	-75	-15.5	172.8	65.3	-13.3	0	0	0	114.4	I410 C411 S574 L575 F821	I410-N572 WeakPolarHBondContact CA-OD1 3.36Å; I410-N572 VanDerWaalsContact CG2-OD1 3.25Å; I410-N572 WeakPolarHBondContact CG2-OD1 3.46Å; C411-N572 VanDerWaalsContact N-CG 3.34Å; C411-N572 PolarHBondContact N-ND2 3.15Å; C411-N572 PolarHBondContact N-OD1 2.97Å; C411-N572 PolarHBondContact O-N 3.17Å; C411-N572 VanDerWaalsContact O-N 3.07Å; C411-N572 PolarHBondContact O-OD1 3.2Å; N572-S574 VanDerWaalsContact C-N 3.32Å; N572-S574 PolarHBondContact O-N 3.27Å; N572-L575 HydrophobicContact CB-CD1 3.84Å; N572-L575 HydrophobicContact CB-CG 4.47Å; N572-L575 VanDerWaalsContact O-CB 3.27Å; N572-L575 WeakPolarHBondContact O-CB 3.32Å; N572-L575 PolarHBondContact O-N 3.47Å; N572-F821 HydrophobicContact CB-CD1 3.96Å; N572-F821 HydrophobicContact CB-CD2 4.14Å; N572-F821 HydrophobicContact CB-CE1 3.97Å; N572-F821 HydrophobicContact CB-CE2 4.23Å; N572-F821 HydrophobicContact CB-CG 4.03Å; N572-F821 HydrophobicContact CB-CZ 4.15Å; N572-F821 WeakPolarHBondContact ND2-CD1 3.26Å
573	D	67.5	Low	68.6	Low	5 Å²	5	55.4 Å²	55.4	3%	0.027	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-53.8	-44.3	175.6	171.6	52.1	0	0	0	112.4	V551 S571 L575 H819	V551-D573 HydrophobicContact CG2-CB 3.58Å; V551-D573 VanDerWaalsContact CG2-OD2 3.28Å; V551-D573 WeakPolarHBondContact CG2-OD2 3.3Å; S571-D573 VanDerWaalsContact C-N 3.31Å; D573-L575 PolarHBondContact O-N 3.24Å; D573-H819 IonicContact OD1-NE2 3.15Å
574	S	56.5	Low	66	Low	48 Å²	48	54.7 Å²	54.7	34%	0.336	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-74.5	-6.8	179.1	68.9	0	0	0	0	115	S571 N572 R922	S571-S574 PolarHBondContact O-OG 2.83Å; N572-S574 VanDerWaalsContact C-N 3.32Å; N572-S574 PolarHBondContact O-N 3.27Å; S574-R922 PolarHBondContact O-NH1 3.44Å
575	L	55	Low	63.4	Low	39 Å²	39	62.1 Å²	62.1	20%	0.204	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-84.4	-21.1	-166.3	-62.6	180	0	0	0	114.4	N572 D573 F821 R922	N572-L575 HydrophobicContact CB-CD1 3.84Å; N572-L575 HydrophobicContact CB-CG 4.47Å; N572-L575 VanDerWaalsContact O-CB 3.27Å; N572-L575 WeakPolarHBondContact O-CB 3.32Å; N572-L575 PolarHBondContact O-N 3.47Å; D573-L575 PolarHBondContact O-N 3.24Å; L575-F821 HydrophobicContact CB-CE2 4.35Å; L575-F821 HydrophobicContact CD1-CE2 4.28Å; L575-R922 VanDerWaalsContact C-CZ 3.46Å; L575-R922 VanDerWaalsContact O-CD 3.28Å; L575-R922 WeakPolarHBondContact O-CD 3.4Å; L575-R922 PolarHBondContact O-NE 3.29Å; L575-R922 PolarHBondContact O-NH1 3.37Å; L575-R922 PolarHBondContact O-NH2 2.88Å; L575-R922 VanDerWaalsContact O-NH2 3.16Å
576	I	56.2	Low	60.6	Low	10 Å²	10	69.7 Å²	69.7	5%	0.051	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	1.4	-176.4	-44.1	178.6	0	0	0	114.7	Y578 T781 F821 F824 F926	I576-Y578 PolarHBondContact O-N 3.42Å; I576-T781 HydrophobicContact CB-CG2 4.26Å; I576-T781 HydrophobicContact CD1-CG2 4.36Å; I576-T781 HydrophobicContact CG2-CG2 3.22Å; I576-F821 HydrophobicContact CD1-CD2 3.2Å; I576-F821 HydrophobicContact CD1-CE2 3.51Å; I576-F821 HydrophobicContact CD1-CG 4.24Å; I576-F821 HydrophobicContact CG1-CD2 3.69Å; I576-F821 HydrophobicContact CG1-CE2 4.01Å; I576-F824 HydrophobicContact CD1-CD1 3.35Å; I576-F824 HydrophobicContact CD1-CE1 3.79Å; I576-F824 HydrophobicContact CD1-CG 4.21Å; I576-F926 HydrophobicContact CG2-CE1 4.35Å; I576-F926 HydrophobicContact CG2-CE2 4.07Å; I576-F926 HydrophobicContact CG2-CZ 3.58Å
577	V	50.1	Low	58.4	Low	44 Å²	44	70.4 Å²	70.4	27%	0.267	34%	0.34	S	S	.	.			trans	-65	105.3	171.5	-174	0	0	0	0	109.4
578	Y	48.2	Very low	56	Low	56 Å²	56	69.3 Å²	69.3	22%	0.22	34%	0.343	C	S	.	.	S	Bend	trans	-107.8	139.5	168.5	-178.7	-83.6	0	0	0	108.4	I576 P580 I635 N636 Q994	I576-Y578 PolarHBondContact O-N 3.42Å; Y578-P580 HydrophobicContact CD2-CG 4.44Å; Y578-P580 HydrophobicContact CE2-CG 4.5Å; Y578-I635 HydrophobicContact CD1-CG2 4.34Å; Y578-N636 WeakPolarHBondContact CE1-OD1 2.98Å; Y578-Q994 PolarHBondContact OH-NE2 2.84Å
579	P	48	Very low	53.7	Low	41 Å²	41	78.9 Å²	78.9	27%	0.266	38%	0.382	S	S	.	.	S	Bend	cis	-66.4	153	-1.4	-18.1	30.7	0	0	0	114	A583 F584	P579-A583 HydrophobicContact CB-CB 3.94Å; P579-F584 HydrophobicContact CB-CD2 3.37Å; P579-F584 HydrophobicContact CB-CE2 3.51Å; P579-F584 HydrophobicContact CG-CD2 3.46Å; P579-F584 VanDerWaalsContact CG-CD2 3.46Å; P579-F584 HydrophobicContact CG-CE2 3.62Å
580	P	42.6	Very low	51.5	Low	58 Å²	58	83.3 Å²	83.3	38%	0.377	42%	0.42	S	S	.	.			trans	-55.3	145.8	172.6	-12.5	22.2	0	0	0	109.6	Y578 N582 A583	Y578-P580 HydrophobicContact CD2-CG 4.44Å; Y578-P580 HydrophobicContact CE2-CG 4.5Å; P580-N582 PolarHBondContact O-N 3.27Å; P580-A583 WeakPolarHBondContact O-CB 3.48Å; P580-A583 PolarHBondContact O-N 3.03Å
581	K	45.8	Very low	49.4	Very low	139 Å²	139	80.5 Å²	80.5	60%	0.604	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-25.3	-176	-63.4	-176.1	176.4	-172.9	0	115.7
582	N	37.9	Very low	47.4	Very low	159 Å²	159	84.2 Å²	84.2	85%	0.85	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-2	-176.2	-67.4	-6.4	0	0	0	115.1	P580	P580-N582 PolarHBondContact O-N 3.27Å
583	A	41.8	Very low	45.9	Very low	33 Å²	33	93.4 Å²	93.4	27%	0.273	50%	0.498	S	S	.	.	S	Bend	trans	-80.1	-26.1	-168.7	0	0	0	0	0	114.2	P579 P580	P579-A583 HydrophobicContact CB-CB 3.94Å; P580-A583 WeakPolarHBondContact O-CB 3.48Å; P580-A583 PolarHBondContact O-N 3.03Å
584	F	42.9	Very low	44.8	Very low	71 Å²	71	97 Å²	97	31%	0.311	53%	0.528	S	S	.	.	S	Bend	trans	-137.4	-6.5	-165	-68.8	-73.4	0	0	0	119.8	P579 Q948 P950	P579-F584 HydrophobicContact CB-CD2 3.37Å; P579-F584 HydrophobicContact CB-CE2 3.51Å; P579-F584 HydrophobicContact CG-CD2 3.46Å; P579-F584 VanDerWaalsContact CG-CD2 3.46Å; P579-F584 HydrophobicContact CG-CE2 3.62Å; F584-Q948 VanDerWaalsContact CE1-O 3.27Å; F584-Q948 WeakPolarHBondContact CE1-O 3.36Å; F584-Q948 WeakPolarHBondContact CZ-O 3.49Å; F584-P950 HydrophobicContact CD1-CB 4.1Å; F584-P950 HydrophobicContact CE1-CB 4.25Å
585	R	42	Very low	44.5	Very low	156 Å²	156	104.5 Å²	104.5	59%	0.589	56%	0.555	S	S	*	*			trans	-156.9	103.5	175.6	-106.5	162.9	-172	-155.2	-7.6	113	K587 E596	R585-K587 PolarHBondContact O-N 3.37Å; R585-E596 IonicContact CZ-OE1 3.92Å; R585-E596 IonicContact CZ-OE2 2.7Å; R585-E596 IonicContact NH1-OE1 3.85Å; R585-E596 IonicContact NH1-OE2 2.69Å; R585-E596 PolarHBondContact NH1-OE2 2.78Å; R585-E596 IonicContact NH2-OE1 2.75Å; R585-E596 PolarHBondContact NH2-OE1 3.25Å; R585-E596 IonicContact NH2-OE2 2.8Å; R585-E596 PolarHBondContact NH2-OE2 2.91Å
586	K	38.1	Very low	44.7	Very low	207 Å²	207	108.2 Å²	108.2	90%	0.9	57%	0.571	S	S	*	*			trans	-72.6	103.4	141.2	-79.5	-179.4	177.1	175.2	0	104.6	P588	K586-P588 VanDerWaalsContact O-CD 3.3Å; K586-P588 WeakPolarHBondContact O-CD 3.27Å; K586-P588 VanDerWaalsContact O-N 3.11Å
587	K	42.6	Very low	45.3	Very low	130 Å²	130	113.1 Å²	113.1	57%	0.565	59%	0.594	S	S	*	*			trans	-53.2	121.9	168.1	-81.5	-177.5	177.5	173.1	0	106.8	D544 R585 K589	D544-K587 IonicContact OD1-NZ 3.12Å; D544-K587 PolarHBondContact OD1-NZ 3.38Å; D544-K587 IonicContact OD2-NZ 3.63Å; D544-K587 PolarHBondContact OD2-NZ 3.26Å; R585-K587 PolarHBondContact O-N 3.37Å; K587-K589 PolarHBondContact O-N 2.88Å
588	P	39.8	Very low	47.1	Very low	94 Å²	94	113.9 Å²	113.9	61%	0.61	60%	0.599	S	S	*	*			trans	-58.2	126.3	167.8	21.1	-27.7	0	0	0	107	K586 A590 A591	K586-P588 VanDerWaalsContact O-CD 3.3Å; K586-P588 WeakPolarHBondContact O-CD 3.27Å; K586-P588 VanDerWaalsContact O-N 3.11Å; P588-A590 PolarHBondContact O-N 3.14Å; P588-A591 HydrophobicContact CG-CB 4.19Å; P588-A591 PolarHBondContact O-N 3.27Å
589	K	42.5	Very low	49.1	Very low	216 Å²	216	112 Å²	112	94%	0.939	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-13.1	-176.2	-75	-176.8	174.3	-179.5	0	113.9	K587	K587-K589 PolarHBondContact O-N 2.88Å
590	A	42.7	Very low	51.3	Low	101 Å²	101	112.8 Å²	112.8	84%	0.835	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-10.5	-174	0	0	0	0	0	115.7	P588 A592	P588-A590 PolarHBondContact O-N 3.14Å; A590-A592 PolarHBondContact O-N 3.45Å
591	A	41.8	Very low	53.8	Low	65 Å²	65	113.8 Å²	113.8	54%	0.537	59%	0.593	S	S	.	*			trans	-97.2	30.1	-176.5	0	0	0	0	0	113.8	P588 Q593	P588-A591 HydrophobicContact CG-CB 4.19Å; P588-A591 PolarHBondContact O-N 3.27Å; A591-Q593 VanDerWaalsContact C-N 3.27Å; A591-Q593 PolarHBondContact O-N 3.4Å
592	A	41.8	Very low	56.1	Low	94 Å²	94	107.3 Å²	107.3	78%	0.777	57%	0.565	S	S	*	*	S	Bend	trans	-77.6	5.6	-169.9	0	0	0	0	0	115.8	A590	A590-A592 PolarHBondContact O-N 3.45Å
593	Q	40.8	Very low	58.8	Low	195 Å²	195	99.7 Å²	99.7	91%	0.911	52%	0.524	S	S	*	.	S	Bend	trans	-129.7	-16.2	-175.5	-76.3	-175.6	-11.8	0	0	116.5	A591 K595	A591-Q593 VanDerWaalsContact C-N 3.27Å; A591-Q593 PolarHBondContact O-N 3.4Å; Q593-K595 PolarHBondContact O-N 2.89Å
594	A	43.9	Very low	61.4	Low	81 Å²	81	101.1 Å²	101.1	67%	0.669	53%	0.528	S	S	*	.	S	Bend	trans	-84.4	113.6	170.9	0	0	0	0	0	108.4	E596	A594-E596 PolarHBondContact O-N 2.81Å
595	K	50	Low	63.8	Low	206 Å²	206	101.9 Å²	101.9	90%	0.896	53%	0.532	S	S	*	.			trans	-57.9	103.7	166.5	-141.3	-174.7	-174.5	-170.1	0	105.9	Q593 Q597	Q593-K595 PolarHBondContact O-N 2.89Å; K595-Q597 PolarHBondContact O-N 2.93Å; K595-Q597 VanDerWaalsContact O-N 3.12Å
596	E	59.9	Low	66.4	Low	117 Å²	117	94.5 Å²	94.5	55%	0.547	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-54.5	122.5	176.1	-76.4	-179.7	157.3	0	0	108.1	R585 A594 T598	R585-E596 IonicContact CZ-OE1 3.92Å; R585-E596 IonicContact CZ-OE2 2.7Å; R585-E596 IonicContact NH1-OE1 3.85Å; R585-E596 IonicContact NH1-OE2 2.69Å; R585-E596 PolarHBondContact NH1-OE2 2.78Å; R585-E596 IonicContact NH2-OE1 2.75Å; R585-E596 PolarHBondContact NH2-OE1 3.25Å; R585-E596 IonicContact NH2-OE2 2.8Å; R585-E596 PolarHBondContact NH2-OE2 2.91Å; A594-E596 PolarHBondContact O-N 2.81Å; E596-T598 PolarHBondContact O-N 2.93Å
597	Q	68.9	Low	69.1	Low	113 Å²	113	87 Å²	87	53%	0.528	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-61.7	122.4	176.2	-173.6	176.2	8.9	0	0	108.4	K595 D601	K595-Q597 PolarHBondContact O-N 2.93Å; K595-Q597 VanDerWaalsContact O-N 3.12Å; Q597-D601 HydrophobicContact CG-CB 3.87Å
598	T	86.9	Confident	71.6	Confident	60 Å²	60	87.2 Å²	87.2	37%	0.368	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-81.5	164.2	-179.9	69.6	0	0	0	0	110.8	E596 K600 D601 T602	E596-T598 PolarHBondContact O-N 2.93Å; T598-K600 PolarHBondContact O-N 3.08Å; T598-K600 PolarHBondContact OG1-N 3.39Å; T598-D601 WeakPolarHBondContact CB-OD2 3.27Å; T598-D601 PolarHBondContact N-OD2 3.26Å; T598-D601 PolarHBondContact O-N 2.8Å; T598-D601 PolarHBondContact OG1-N 3.49Å; T598-D601 PolarHBondContact OG1-OD2 3.07Å; T598-T602 WeakPolarHBondContact O-CB 3.45Å; T598-T602 PolarHBondContact O-N 2.68Å; T598-T602 PolarHBondContact O-OG1 3Å
599	F	91.3	Very high	74.2	Confident	16 Å²	16	83.8 Å²	83.8	7%	0.07	45%	0.448	C	S	.	.	H	α-helix	trans	-61	-28.4	171.8	76.8	-88.2	0	0	0	112.3	T602 F603 A629 F630 P638 L671 Y726	F599-T602 PolarHBondContact O-N 2.85Å; F599-F603 WeakPolarHBondContact O-CB 3.43Å; F599-F603 PolarHBondContact O-N 3.4Å; F599-A629 HydrophobicContact CE2-CB 4.08Å; F599-A629 HydrophobicContact CZ-CB 3.91Å; F599-A629 WeakPolarHBondContact CZ-O 3.38Å; F599-F630 HydrophobicContact CD2-CE1 4.4Å; F599-F630 HydrophobicContact CE2-CD1 4.02Å; F599-F630 HydrophobicContact CE2-CE1 4.21Å; F599-P638 HydrophobicContact CD1-CB 4.19Å; F599-P638 HydrophobicContact CD1-CG 3.94Å; F599-P638 HydrophobicContact CD2-CG 4.39Å; F599-P638 HydrophobicContact CE1-CG 3.98Å; F599-P638 HydrophobicContact CE2-CG 4.41Å; F599-P638 HydrophobicContact CG-CB 4.28Å; F599-P638 HydrophobicContact CG-CG 4.16Å; F599-P638 HydrophobicContact CZ-CG 4.21Å; F599-L671 HydrophobicContact CB-CD1 4.13Å; F599-L671 HydrophobicContact CD2-CD1 3.57Å; F599-L671 HydrophobicContact CE2-CD1 4.32Å; F599-L671 HydrophobicContact CG-CD1 4.08Å; F599-Y726 HydrophobicContact CB-CD1 3.61Å; F599-Y726 HydrophobicContact CB-CD2 3.86Å; F599-Y726 HydrophobicContact CB-CE1 3.57Å; F599-Y726 HydrophobicContact CB-CE2 3.81Å; F599-Y726 HydrophobicContact CB-CG 3.74Å
600	K	94	Very high	76.7	Confident	57 Å²	57	73.6 Å²	73.6	25%	0.248	40%	0.404	C	S	.	.	H	α-helix	trans	-68	-48.7	175.5	-67.4	-177.8	175.4	-176.6	0	110.7	T598 T602 F603 D604 F630 D632	T598-K600 PolarHBondContact O-N 3.08Å; T598-K600 PolarHBondContact OG1-N 3.39Å; K600-T602 PolarHBondContact O-N 3.21Å; K600-F603 PolarHBondContact O-N 3.48Å; K600-F603 VanDerWaalsContact O-N 3.12Å; K600-D604 PolarHBondContact O-N 2.8Å; K600-F630 WeakPolarHBondContact CE-O 3.44Å; K600-F630 PolarHBondContact NZ-O 3.42Å; K600-D632 WeakPolarHBondContact CE-OD1 3.41Å; K600-D632 IonicContact NZ-OD1 2.78Å; K600-D632 PolarHBondContact NZ-OD1 3.35Å; K600-D632 IonicContact NZ-OD2 2.71Å; K600-D632 PolarHBondContact NZ-OD2 2.88Å
601	D	93.8	Very high	79	Confident	80 Å²	80	74 Å²	74	43%	0.428	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-38.1	174.8	-55.9	-52.5	0	0	0	111.4	Q597 T598 H605	Q597-D601 HydrophobicContact CG-CB 3.87Å; T598-D601 WeakPolarHBondContact CB-OD2 3.27Å; T598-D601 PolarHBondContact N-OD2 3.26Å; T598-D601 PolarHBondContact O-N 2.8Å; T598-D601 PolarHBondContact OG1-N 3.49Å; T598-D601 PolarHBondContact OG1-OD2 3.07Å; D601-H605 PolarHBondContact O-N 3.39Å
602	T	93.7	Very high	81.4	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.012	40%	0.397	C	S	.	.	H	α-helix	trans	-65.7	-42.7	176.4	-53.7	0	0	0	0	111.3	T598 F599 K600 H605 L606 E723 Y726 F728	T598-T602 WeakPolarHBondContact O-CB 3.45Å; T598-T602 PolarHBondContact O-N 2.68Å; T598-T602 PolarHBondContact O-OG1 3Å; F599-T602 PolarHBondContact O-N 2.85Å; K600-T602 PolarHBondContact O-N 3.21Å; T602-H605 WeakPolarHBondContact O-CB 3.21Å; T602-H605 PolarHBondContact O-N 2.81Å; T602-L606 PolarHBondContact O-N 2.88Å; T602-E723 HydrophobicContact CG2-CB 3.98Å; T602-E723 HydrophobicContact CG2-CG 3.64Å; T602-E723 VanDerWaalsContact CG2-O 3.31Å; T602-E723 WeakPolarHBondContact CG2-O 3.13Å; T602-Y726 HydrophobicContact CG2-CD2 4.21Å; T602-F728 HydrophobicContact CG2-CE2 4.05Å; T602-F728 HydrophobicContact CG2-CZ 4.34Å
603	F	96.6	Very high	83.7	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-43.8	176.1	-177	-97.8	0	0	0	112.1	F599 K600 H605 L606 E607 V623 K625 F630 V673 F728	F599-F603 WeakPolarHBondContact O-CB 3.43Å; F599-F603 PolarHBondContact O-N 3.4Å; K600-F603 PolarHBondContact O-N 3.48Å; K600-F603 VanDerWaalsContact O-N 3.12Å; F603-H605 PolarHBondContact O-N 2.71Å; F603-L606 HydrophobicContact CD2-CD2 4.38Å; F603-L606 CarbonylContact O-C 3.52Å; F603-L606 WeakPolarHBondContact O-CA 3.38Å; F603-L606 WeakPolarHBondContact O-CB 3.3Å; F603-L606 PolarHBondContact O-N 2.71Å; F603-E607 HydrophobicContact CD1-CB 4.49Å; F603-E607 HydrophobicContact CE1-CB 4.04Å; F603-E607 HydrophobicContact CE1-CG 4.43Å; F603-E607 HydrophobicContact CZ-CB 4.36Å; F603-E607 WeakPolarHBondContact O-CB 3.23Å; F603-E607 PolarHBondContact O-N 3.03Å; F603-V623 HydrophobicContact CZ-CG1 3.93Å; F603-K625 HydrophobicContact CD1-CD 4.38Å; F603-K625 HydrophobicContact CD1-CG 4.44Å; F603-K625 HydrophobicContact CE1-CD 4.19Å; F603-K625 HydrophobicContact CE1-CG 3.94Å; F603-K625 HydrophobicContact CZ-CG 4.42Å; F603-F630 HydrophobicContact CB-CE1 3.87Å; F603-F630 HydrophobicContact CB-CZ 4.37Å; F603-F630 AromaticContact CD1-CE1 3.92Å; F603-F630 HydrophobicContact CD1-CE1 3.92Å; F603-F630 HydrophobicContact CD1-CZ 4.38Å; F603-F630 HydrophobicContact CD2-CE1 4.21Å; F603-F630 AromaticContact CD2-CZ 3.98Å; F603-F630 HydrophobicContact CD2-CZ 3.98Å; F603-F630 HydrophobicContact CE2-CZ 4.45Å; F603-F630 AromaticContact CG-CE1 3.67Å; F603-F630 HydrophobicContact CG-CE1 3.67Å; F603-F630 AromaticContact CG-CZ 3.93Å; F603-F630 HydrophobicContact CG-CZ 3.93Å; F603-V673 HydrophobicContact CD2-CG1 4.24Å; F603-V673 HydrophobicContact CE2-CB 4.15Å; F603-V673 HydrophobicContact CE2-CG1 3.52Å; F603-V673 HydrophobicContact CE2-CG2 4.06Å; F603-V673 HydrophobicContact CZ-CB 4.32Å; F603-V673 HydrophobicContact CZ-CG1 3.79Å; F603-F728 HydrophobicContact CB-CD1 4.48Å; F603-F728 HydrophobicContact CB-CE1 3.64Å; F603-F728 HydrophobicContact CB-CZ 3.78Å; F603-F728 AromaticContact CD2-CD1 3.57Å; F603-F728 HydrophobicContact CD2-CD1 3.57Å; F603-F728 AromaticContact CD2-CE1 3.59Å; F603-F728 HydrophobicContact CD2-CE1 3.59Å; F603-F728 HydrophobicContact CD2-CG 4.2Å; F603-F728 HydrophobicContact CD2-CZ 4.22Å; F603-F728 HydrophobicContact CE2-CD1 4.34Å; F603-F728 HydrophobicContact CG-CD1 4.43Å; F603-F728 HydrophobicContact CG-CE1 4.02Å
604	D	95.4	Very high	85.5	Confident	63 Å²	63	69.6 Å²	69.6	34%	0.337	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-28.9	178.3	-66.2	-15.3	0	0	0	111.4	K600 K608 K625	K600-D604 PolarHBondContact O-N 2.8Å; D604-K608 WeakPolarHBondContact O-CG 3.48Å; D604-K608 PolarHBondContact O-N 2.94Å; D604-K625 IonicContact OD1-NZ 3.29Å; D604-K625 PolarHBondContact OD1-NZ 2.9Å
605	H	94.4	Very high	87.3	Confident	86 Å²	86	72.7 Å²	72.7	40%	0.398	36%	0.362	S	S	.	.	H	α-helix	trans	-71.2	-44.1	169.8	-171.8	56.9	0	0	0	112.3	D601 T602 F603 K608 K609 E723	D601-H605 PolarHBondContact O-N 3.39Å; T602-H605 WeakPolarHBondContact O-CB 3.21Å; T602-H605 PolarHBondContact O-N 2.81Å; F603-H605 PolarHBondContact O-N 2.71Å; H605-K608 WeakPolarHBondContact O-CB 3.28Å; H605-K608 PolarHBondContact O-N 2.93Å; H605-K609 WeakPolarHBondContact CD2-CE 3.49Å; H605-K609 WeakPolarHBondContact NE2-CE 3.49Å; H605-K609 PolarHBondContact O-N 3.3Å; H605-K609 VanDerWaalsContact O-N 3.1Å; H605-E723 IonicContact CD2-OE1 2.72Å
606	L	95.6	Very high	89.2	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-41	175.7	176.1	59.5	0	0	0	112.3	T602 F603 K608 K609 L610 L705 I721 F728	T602-L606 PolarHBondContact O-N 2.88Å; F603-L606 HydrophobicContact CD2-CD2 4.38Å; F603-L606 CarbonylContact O-C 3.52Å; F603-L606 WeakPolarHBondContact O-CA 3.38Å; F603-L606 WeakPolarHBondContact O-CB 3.3Å; F603-L606 PolarHBondContact O-N 2.71Å; L606-K608 VanDerWaalsContact C-N 3.31Å; L606-K608 PolarHBondContact O-N 2.84Å; L606-K609 CarbonylContact O-C 3.38Å; L606-K609 WeakPolarHBondContact O-CA 3.4Å; L606-K609 WeakPolarHBondContact O-CB 3.34Å; L606-K609 PolarHBondContact O-N 3.12Å; L606-L610 HydrophobicContact CG-CD1 4.44Å; L606-L610 PolarHBondContact O-N 3.14Å; L606-L705 HydrophobicContact CD1-CD2 4.22Å; L606-I721 HydrophobicContact CD1-CD1 4.36Å; L606-I721 HydrophobicContact CD1-CG2 3.79Å; L606-I721 HydrophobicContact CD2-CB 4.26Å; L606-I721 HydrophobicContact CD2-CD1 4.09Å; L606-I721 HydrophobicContact CD2-CG2 3.89Å; L606-F728 HydrophobicContact CD2-CB 3.94Å; L606-F728 HydrophobicContact CD2-CD2 3.54Å; L606-F728 HydrophobicContact CD2-CE2 4.24Å; L606-F728 HydrophobicContact CD2-CG 3.8Å
607	E	95.2	Very high	90.6	Very high	49 Å²	49	63.2 Å²	63.2	23%	0.229	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-40.8	177.1	-174.6	170.9	-148	0	0	111.1	F603 K609 L610 N611	F603-E607 HydrophobicContact CD1-CB 4.49Å; F603-E607 HydrophobicContact CE1-CB 4.04Å; F603-E607 HydrophobicContact CE1-CG 4.43Å; F603-E607 HydrophobicContact CZ-CB 4.36Å; F603-E607 WeakPolarHBondContact O-CB 3.23Å; F603-E607 PolarHBondContact O-N 3.03Å; E607-K609 PolarHBondContact O-N 2.88Å; E607-L610 PolarHBondContact O-N 3.41Å; E607-N611 PolarHBondContact O-N 3.31Å; E607-N611 PolarHBondContact O-ND2 3.1Å
608	K	94.7	Very high	91.7	Very high	136 Å²	136	58.2 Å²	58.2	59%	0.591	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-42.4	170.6	-69.8	169.6	-173.2	175.3	0	111.9	D604 H605 L606 N611 L612	D604-K608 WeakPolarHBondContact O-CG 3.48Å; D604-K608 PolarHBondContact O-N 2.94Å; H605-K608 WeakPolarHBondContact O-CB 3.28Å; H605-K608 PolarHBondContact O-N 2.93Å; L606-K608 VanDerWaalsContact C-N 3.31Å; L606-K608 PolarHBondContact O-N 2.84Å; K608-N611 PolarHBondContact O-N 3.22Å; K608-L612 WeakPolarHBondContact O-CG 3.46Å; K608-L612 PolarHBondContact O-N 3.45Å
609	K	94.7	Very high	91.9	Very high	21 Å²	21	60.3 Å²	60.3	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-41.5	176.2	-66.9	-176	-168	-180	0	111.8	H605 L606 E607 N611 L612 L613 L705 L708 C710 E723	H605-K609 WeakPolarHBondContact CD2-CE 3.49Å; H605-K609 WeakPolarHBondContact NE2-CE 3.49Å; H605-K609 PolarHBondContact O-N 3.3Å; H605-K609 VanDerWaalsContact O-N 3.1Å; L606-K609 CarbonylContact O-C 3.38Å; L606-K609 WeakPolarHBondContact O-CA 3.4Å; L606-K609 WeakPolarHBondContact O-CB 3.34Å; L606-K609 PolarHBondContact O-N 3.12Å; E607-K609 PolarHBondContact O-N 2.88Å; K609-N611 VanDerWaalsContact C-N 3.34Å; K609-L612 PolarHBondContact O-N 2.84Å; K609-L613 WeakPolarHBondContact O-CG 3.31Å; K609-L705 HydrophobicContact CB-CD2 4.1Å; K609-L708 HydrophobicContact CB-CD1 3.82Å; K609-L708 HydrophobicContact CD-CB 4.27Å; K609-L708 HydrophobicContact CG-CD1 4.28Å; K609-L708 WeakPolarHBondContact O-CD1 3.31Å; K609-C710 WeakPolarHBondContact CD-SG 2.91Å; K609-C710 PolarHBondContact NZ-SG 3.44Å; K609-C710 VanDerWaalsContact NZ-SG 3.36Å; K609-E723 IonicContact NZ-OE1 3.1Å; K609-E723 PolarHBondContact NZ-OE1 3.43Å; K609-E723 IonicContact NZ-OE2 3.09Å; K609-E723 PolarHBondContact NZ-OE2 2.98Å
610	L	94.8	Very high	92	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-43.5	174.9	-73.3	169.4	0	0	0	111.5	L606 E607 L612 L613 I620 V623 I701 L705 L730	L606-L610 HydrophobicContact CG-CD1 4.44Å; L606-L610 PolarHBondContact O-N 3.14Å; E607-L610 PolarHBondContact O-N 3.41Å; L610-L612 VanDerWaalsContact C-N 3.28Å; L610-L612 PolarHBondContact O-N 2.86Å; L610-L613 HydrophobicContact CD2-CD1 4.28Å; L610-L613 WeakPolarHBondContact O-CB 3.25Å; L610-L613 WeakPolarHBondContact O-CG 3.2Å; L610-L613 PolarHBondContact O-N 3.01Å; L610-I620 HydrophobicContact CB-CD1 4.41Å; L610-I620 HydrophobicContact CD2-CD1 4.35Å; L610-V623 HydrophobicContact CD1-CG1 4.37Å; L610-V623 HydrophobicContact CD1-CG2 4.31Å; L610-I701 HydrophobicContact CD2-CG2 3.91Å; L610-L705 HydrophobicContact CD2-CD1 3.95Å; L610-L705 HydrophobicContact CD2-CD2 4.09Å; L610-L705 HydrophobicContact CD2-CG 4.33Å; L610-L705 HydrophobicContact CG-CD2 4.46Å; L610-L730 HydrophobicContact CD1-CD1 4.41Å; L610-L730 HydrophobicContact CD2-CD2 4.3Å
611	N	91.3	Very high	91.9	Very high	109 Å²	109	63.5 Å²	63.5	58%	0.583	34%	0.335	S	S	*	.	H	α-helix	trans	-70.7	-20.2	177.6	-69.5	-30.9	0	0	0	113.8	E607 K608 K609 L613	E607-N611 PolarHBondContact O-N 3.31Å; E607-N611 PolarHBondContact O-ND2 3.1Å; K608-N611 PolarHBondContact O-N 3.22Å; K609-N611 VanDerWaalsContact C-N 3.34Å; N611-L613 VanDerWaalsContact C-N 3.31Å
612	L	91.2	Very high	91.9	Very high	122 Å²	122	63.7 Å²	63.7	64%	0.639	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.2	176.1	-73.9	168.8	0	0	0	113.5	K608 K609 L610 S614 L708	K608-L612 WeakPolarHBondContact O-CG 3.46Å; K608-L612 PolarHBondContact O-N 3.45Å; K609-L612 PolarHBondContact O-N 2.84Å; L610-L612 VanDerWaalsContact C-N 3.28Å; L610-L612 PolarHBondContact O-N 2.86Å; L612-S614 VanDerWaalsContact C-N 3.32Å; L612-S614 PolarHBondContact O-N 3.02Å; L612-L708 HydrophobicContact CB-CD1 4.49Å
613	L	91.5	Very high	92	Very high	23 Å²	23	64 Å²	64	12%	0.12	34%	0.337	C	S	.	.			trans	-74	82.3	178.6	-59.4	-179.7	0	0	0	110.6	K609 L610 N611 L616 I701 G704 L705 L708	K609-L613 WeakPolarHBondContact O-CG 3.31Å; L610-L613 HydrophobicContact CD2-CD1 4.28Å; L610-L613 WeakPolarHBondContact O-CB 3.25Å; L610-L613 WeakPolarHBondContact O-CG 3.2Å; L610-L613 PolarHBondContact O-N 3.01Å; N611-L613 VanDerWaalsContact C-N 3.31Å; L613-L616 HydrophobicContact CB-CD1 3.62Å; L613-L616 HydrophobicContact CB-CD2 4.22Å; L613-L616 HydrophobicContact CB-CG 3.74Å; L613-L616 HydrophobicContact CD1-CD1 4.11Å; L613-L616 HydrophobicContact CD1-CD2 4.38Å; L613-L616 WeakPolarHBondContact O-CG 3.5Å; L613-I701 HydrophobicContact CD1-CG2 4.07Å; L613-G704 VanDerWaalsContact CD2-C 3.49Å; L613-L705 HydrophobicContact CD1-CD2 4.32Å; L613-L705 HydrophobicContact CD1-CG 4.29Å; L613-L708 HydrophobicContact CD2-CD1 3.84Å
614	S	77.3	Confident	91.9	Very high	116 Å²	116	64.6 Å²	64.6	81%	0.811	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.2	-176.8	57.2	0	0	0	0	114.9	L612	L612-S614 VanDerWaalsContact C-N 3.32Å; L612-S614 PolarHBondContact O-N 3.02Å
615	E	82.1	Confident	91.9	Very high	147 Å²	147	64.9 Å²	64.9	69%	0.687	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	14.2	-175.2	-62.3	-178.7	166	0	0	113.5	K707	E615-K707 IonicContact OE2-NZ 3.18Å; E615-K707 PolarHBondContact OE2-NZ 3.18Å
616	L	89.1	Confident	91.9	Very high	27 Å²	27	61 Å²	61	14%	0.141	32%	0.323	C	S	.	.			trans	-76.5	139	-179.7	-60.4	178.5	0	0	0	110.5	L613 F618 I620 I700 I701	L613-L616 HydrophobicContact CB-CD1 3.62Å; L613-L616 HydrophobicContact CB-CD2 4.22Å; L613-L616 HydrophobicContact CB-CG 3.74Å; L613-L616 HydrophobicContact CD1-CD1 4.11Å; L613-L616 HydrophobicContact CD1-CD2 4.38Å; L613-L616 WeakPolarHBondContact O-CG 3.5Å; L616-F618 HydrophobicContact CB-CD2 4.42Å; L616-F618 HydrophobicContact CB-CE2 4.37Å; L616-F618 WeakPolarHBondContact CB-O 3.4Å; L616-F618 HydrophobicContact CD1-CD2 4.5Å; L616-F618 HydrophobicContact CD1-CE2 4.05Å; L616-F618 HydrophobicContact CD2-CZ 4.39Å; L616-F618 PolarHBondContact O-N 3.23Å; L616-I620 HydrophobicContact CD1-CD1 3.93Å; L616-I620 HydrophobicContact CD1-CG1 4.05Å; L616-I700 HydrophobicContact CD2-CG2 3.59Å; L616-I701 HydrophobicContact CD2-CG1 4.43Å
617	P	90.5	Very high	91.9	Very high	97 Å²	97	61.4 Å²	61.4	63%	0.63	33%	0.325	S	S	*	.	S	Bend	trans	-72.5	5.4	173.6	28.6	-29.5	0	0	0	113.2	I700	P617-I700 HydrophobicContact CG-CD1 3.93Å
618	F	92.5	Very high	91.9	Very high	7 Å²	7	60 Å²	60	3%	0.031	32%	0.321	C	S	.	.	S	Bend	trans	-149	159.7	179.5	50.9	-96.3	0	0	0	109.2	L616 I677 N678 L679 V697 I700 I701	L616-F618 HydrophobicContact CB-CD2 4.42Å; L616-F618 HydrophobicContact CB-CE2 4.37Å; L616-F618 WeakPolarHBondContact CB-O 3.4Å; L616-F618 HydrophobicContact CD1-CD2 4.5Å; L616-F618 HydrophobicContact CD1-CE2 4.05Å; L616-F618 HydrophobicContact CD2-CZ 4.39Å; L616-F618 PolarHBondContact O-N 3.23Å; F618-I677 HydrophobicContact CD2-CB 4.12Å; F618-I677 HydrophobicContact CD2-CD1 4.35Å; F618-I677 HydrophobicContact CD2-CG2 4.08Å; F618-I677 HydrophobicContact CE2-CG2 4.23Å; F618-N678 WeakPolarHBondContact CA-OD1 3.44Å; F618-N678 WeakPolarHBondContact CB-OD1 3.44Å; F618-L679 HydrophobicContact CB-CD1 4.06Å; F618-L679 HydrophobicContact CB-CD2 3.76Å; F618-L679 HydrophobicContact CB-CG 3.55Å; F618-L679 HydrophobicContact CD1-CD1 3.52Å; F618-L679 HydrophobicContact CD1-CD2 4.38Å; F618-L679 HydrophobicContact CD1-CG 4.02Å; F618-L679 HydrophobicContact CE1-CD1 4.17Å; F618-L679 HydrophobicContact CG-CD1 3.89Å; F618-L679 HydrophobicContact CG-CD2 4.45Å; F618-L679 HydrophobicContact CG-CG 3.94Å; F618-V697 HydrophobicContact CE1-CB 4.43Å; F618-V697 HydrophobicContact CE1-CG1 4.35Å; F618-V697 HydrophobicContact CE1-CG2 3.98Å; F618-V697 HydrophobicContact CE2-CG1 4.03Å; F618-V697 HydrophobicContact CZ-CB 4.19Å; F618-V697 HydrophobicContact CZ-CG1 3.67Å; F618-V697 HydrophobicContact CZ-CG2 4.15Å; F618-I700 HydrophobicContact CE1-CB 4.45Å; F618-I700 HydrophobicContact CE1-CD1 4.05Å; F618-I700 HydrophobicContact CE1-CG2 4.31Å; F618-I700 HydrophobicContact CZ-CB 4.44Å; F618-I700 HydrophobicContact CZ-CG2 4.31Å; F618-I701 HydrophobicContact CE2-CD1 4.15Å; F618-I701 HydrophobicContact CE2-CG1 4.13Å; F618-I701 HydrophobicContact CZ-CD1 4.36Å; F618-I701 HydrophobicContact CZ-CG1 4.05Å
619	N	90.8	Very high	91.9	Very high	105 Å²	105	53.6 Å²	53.6	56%	0.561	29%	0.293	S	S	*	.			trans	-97.2	134.3	174.8	-58.7	-28.8	0	0	0	109.8	I621 I677 N678	N619-I621 PolarHBondContact O-N 3.45Å; N619-I677 WeakPolarHBondContact O-CA 3.44Å; N619-N678 PolarHBondContact N-OD1 3.09Å; N619-N678 PolarHBondContact ND2-ND2 3.26Å; N619-N678 PolarHBondContact O-N 3.19Å; N619-N678 PolarHBondContact O-OD1 2.98Å
620	I	93.6	Very high	91.9	Very high	28 Å²	28	53.2 Å²	53.2	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	115.7	162.3	-58	174.1	0	0	0	106.4	L610 L616 V623 A675 I677 I701	L610-I620 HydrophobicContact CB-CD1 4.41Å; L610-I620 HydrophobicContact CD2-CD1 4.35Å; L616-I620 HydrophobicContact CD1-CD1 3.93Å; L616-I620 HydrophobicContact CD1-CG1 4.05Å; I620-V623 HydrophobicContact CG2-CG2 3.69Å; I620-A675 HydrophobicContact CG2-CB 4.36Å; I620-I677 HydrophobicContact CG1-CG2 4.32Å; I620-I701 HydrophobicContact CD1-CD1 4.4Å
621	I	92.2	Very high	91.9	Very high	112 Å²	112	53.7 Å²	53.7	57%	0.574	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-45.9	-177.6	-59.5	166.9	0	0	0	110.2	N619 S676 N678	N619-I621 PolarHBondContact O-N 3.45Å; I621-S676 WeakPolarHBondContact CB-O 3.39Å; I621-S676 PolarHBondContact N-O 3.35Å; I621-N678 HydrophobicContact CD1-CB 3.88Å; I621-N678 HydrophobicContact CG1-CB 4.06Å
622	D	92.6	Very high	91.9	Very high	84 Å²	84	52.1 Å²	52.1	45%	0.449	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153.1	-174.6	179.8	40.9	0	0	0	110.2	A675 S676	D622-A675 WeakPolarHBondContact O-CA 3.25Å; D622-S676 PolarHBondContact N-O 2.83Å; D622-S676 PolarHBondContact O-N 3.07Å
623	V	95.2	Very high	92	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	95	175	-173.4	0	0	0	0	109.3	F603 L610 I620 V673 L674 L730	F603-V623 HydrophobicContact CZ-CG1 3.93Å; L610-V623 HydrophobicContact CD1-CG1 4.37Å; L610-V623 HydrophobicContact CD1-CG2 4.31Å; I620-V623 HydrophobicContact CG2-CG2 3.69Å; V623-V673 HydrophobicContact CG1-CB 4.27Å; V623-L674 CarbonylContact C-O 3.59Å; V623-L674 WeakPolarHBondContact CA-O 3.19Å; V623-L730 HydrophobicContact CG1-CD1 4.46Å
624	A	95.2	Very high	92	Very high	12 Å²	12	45.9 Å²	45.9	10%	0.099	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	133.3	-177.2	0	0	0	0	0	112.3	V673 L674 V759	A624-V673 CarbonylContact O-C 3.49Å; A624-V673 VanDerWaalsContact O-CA 3.23Å; A624-V673 WeakPolarHBondContact O-CA 2.84Å; A624-L674 HydrophobicContact CB-CB 4.4Å; A624-L674 PolarHBondContact N-O 3.12Å; A624-L674 PolarHBondContact O-N 3.16Å; A624-V759 HydrophobicContact CB-CB 4.46Å; A624-V759 HydrophobicContact CB-CG1 3.83Å; A624-V759 HydrophobicContact CB-CG2 3.95Å
625	K	95.9	Very high	92.3	Very high	70 Å²	70	40.8 Å²	40.8	30%	0.304	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	113.9	175.9	-66.4	167.4	-175	-178.7	0	109.8	F603 D604 F630 A762	F603-K625 HydrophobicContact CD1-CD 4.38Å; F603-K625 HydrophobicContact CD1-CG 4.44Å; F603-K625 HydrophobicContact CE1-CD 4.19Å; F603-K625 HydrophobicContact CE1-CG 3.94Å; F603-K625 HydrophobicContact CZ-CG 4.42Å; D604-K625 IonicContact OD1-NZ 3.29Å; D604-K625 PolarHBondContact OD1-NZ 2.9Å; K625-F630 HydrophobicContact CB-CB 3.89Å; K625-F630 HydrophobicContact CB-CD1 4.16Å; K625-F630 HydrophobicContact CB-CD2 3.73Å; K625-F630 HydrophobicContact CB-CE2 4.24Å; K625-F630 HydrophobicContact CB-CG 3.67Å; K625-F630 HydrophobicContact CD-CB 4.38Å; K625-F630 HydrophobicContact CD-CD1 3.8Å; K625-F630 HydrophobicContact CD-CE1 4.25Å; K625-F630 HydrophobicContact CD-CG 4.14Å; K625-F630 HydrophobicContact CG-CB 4.48Å; K625-F630 HydrophobicContact CG-CD1 3.92Å; K625-F630 HydrophobicContact CG-CD2 4.24Å; K625-F630 HydrophobicContact CG-CE1 4.13Å; K625-F630 HydrophobicContact CG-CE2 4.42Å; K625-F630 HydrophobicContact CG-CG 3.97Å; K625-F630 HydrophobicContact CG-CZ 4.37Å; K625-A762 WeakPolarHBondContact O-CB 3.45Å
626	L	95.1	Very high	92.3	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.184	C	C	.	.			trans	-100.7	-41	-174.2	-63.6	-174.1	0	0	0	114.3	E672 L674 L731 R758 V759	L626-E672 HydrophobicContact CB-CB 4.15Å; L626-E672 WeakPolarHBondContact CB-O 3.39Å; L626-E672 PolarHBondContact N-O 2.87Å; L626-L674 HydrophobicContact CD1-CB 4Å; L626-L674 HydrophobicContact CG-CB 4.26Å; L626-L731 HydrophobicContact CD1-CD1 3.8Å; L626-R758 HydrophobicContact CD2-CB 4.22Å; L626-V759 HydrophobicContact CD2-CB 4.27Å; L626-V759 HydrophobicContact CD2-CG2 3.64Å
627	S	95.5	Very high	91.9	Very high	8 Å²	8	37.1 Å²	37.1	6%	0.056	21%	0.208	C	C	.	.	S	Bend	trans	-63.1	139.5	-175.7	-71.7	0	0	0	0	112.6	A629 F630 E672	S627-A629 PolarHBondContact O-N 3.48Å; S627-F630 PolarHBondContact O-N 2.95Å; S627-E672 PolarHBondContact N-O 3.45Å; S627-E672 PolarHBondContact OG-N 2.86Å
628	P	95.1	Very high	91.6	Very high	20 Å²	20	33.1 Å²	33.1	13%	0.13	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.9	-180	21.3	-28.3	0	0	0	114.7	F630 Y631 D632 C633 E634	P628-F630 VanDerWaalsContact C-N 3.26Å; P628-F630 PolarHBondContact O-N 3.11Å; P628-Y631 HydrophobicContact CB-CE1 4.43Å; P628-Y631 HydrophobicContact CB-CE2 3.75Å; P628-Y631 WeakPolarHBondContact CB-OH 3.26Å; P628-Y631 CarbonylContact O-C 3.53Å; P628-Y631 PolarHBondContact O-N 3.36Å; P628-D632 PolarHBondContact O-N 2.8Å; P628-D632 VanDerWaalsContact O-N 3.16Å; P628-C633 HydrophobicContact CB-CB 4Å; P628-C633 PolarHBondContact O-N 2.9Å; P628-E634 WeakPolarHBondContact CG-OE2 3.15Å; P628-E634 PolarHBondContact O-N 3.11Å
629	A	93.6	Very high	91	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.8	169.8	0	0	0	0	0	112.6	F599 S627 Y631 D632 E634 P638 L671	F599-A629 HydrophobicContact CE2-CB 4.08Å; F599-A629 HydrophobicContact CZ-CB 3.91Å; F599-A629 WeakPolarHBondContact CZ-O 3.38Å; S627-A629 PolarHBondContact O-N 3.48Å; A629-Y631 VanDerWaalsContact C-N 3.28Å; A629-Y631 PolarHBondContact O-N 2.93Å; A629-D632 PolarHBondContact O-N 3.42Å; A629-D632 VanDerWaalsContact O-N 3.11Å; A629-E634 HydrophobicContact CB-CB 3.98Å; A629-E634 HydrophobicContact CB-CG 4.4Å; A629-P638 HydrophobicContact CB-CG 3.55Å; A629-L671 HydrophobicContact CB-CD2 3.85Å
630	F	95.4	Very high	90.6	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.057	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.7	-177	-74.5	-71.6	0	0	0	113.2	F599 K600 F603 K625 S627 P628 L671 V673 F728	F599-F630 HydrophobicContact CD2-CE1 4.4Å; F599-F630 HydrophobicContact CE2-CD1 4.02Å; F599-F630 HydrophobicContact CE2-CE1 4.21Å; K600-F630 WeakPolarHBondContact CE-O 3.44Å; K600-F630 PolarHBondContact NZ-O 3.42Å; F603-F630 HydrophobicContact CB-CE1 3.87Å; F603-F630 HydrophobicContact CB-CZ 4.37Å; F603-F630 AromaticContact CD1-CE1 3.92Å; F603-F630 HydrophobicContact CD1-CE1 3.92Å; F603-F630 HydrophobicContact CD1-CZ 4.38Å; F603-F630 HydrophobicContact CD2-CE1 4.21Å; F603-F630 AromaticContact CD2-CZ 3.98Å; F603-F630 HydrophobicContact CD2-CZ 3.98Å; F603-F630 HydrophobicContact CE2-CZ 4.45Å; F603-F630 AromaticContact CG-CE1 3.67Å; F603-F630 HydrophobicContact CG-CE1 3.67Å; F603-F630 AromaticContact CG-CZ 3.93Å; F603-F630 HydrophobicContact CG-CZ 3.93Å; K625-F630 HydrophobicContact CB-CB 3.89Å; K625-F630 HydrophobicContact CB-CD1 4.16Å; K625-F630 HydrophobicContact CB-CD2 3.73Å; K625-F630 HydrophobicContact CB-CE2 4.24Å; K625-F630 HydrophobicContact CB-CG 3.67Å; K625-F630 HydrophobicContact CD-CB 4.38Å; K625-F630 HydrophobicContact CD-CD1 3.8Å; K625-F630 HydrophobicContact CD-CE1 4.25Å; K625-F630 HydrophobicContact CD-CG 4.14Å; K625-F630 HydrophobicContact CG-CB 4.48Å; K625-F630 HydrophobicContact CG-CD1 3.92Å; K625-F630 HydrophobicContact CG-CD2 4.24Å; K625-F630 HydrophobicContact CG-CE1 4.13Å; K625-F630 HydrophobicContact CG-CE2 4.42Å; K625-F630 HydrophobicContact CG-CG 3.97Å; K625-F630 HydrophobicContact CG-CZ 4.37Å; S627-F630 PolarHBondContact O-N 2.95Å; P628-F630 VanDerWaalsContact C-N 3.26Å; P628-F630 PolarHBondContact O-N 3.11Å; F630-L671 HydrophobicContact CE2-CB 4.21Å; F630-L671 HydrophobicContact CZ-CB 4.37Å; F630-V673 HydrophobicContact CE2-CG1 3.67Å; F630-V673 HydrophobicContact CZ-CG1 3.75Å; F630-F728 HydrophobicContact CZ-CD1 4.22Å; F630-F728 HydrophobicContact CZ-CE1 4.05Å
631	Y	94.3	Very high	89.7	Confident	12 Å²	12	31.5 Å²	31.5	5%	0.047	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	24.4	175.2	50.3	-92.8	0	0	0	112.9	P628 A629 C633 A762 M765	P628-Y631 HydrophobicContact CB-CE1 4.43Å; P628-Y631 HydrophobicContact CB-CE2 3.75Å; P628-Y631 WeakPolarHBondContact CB-OH 3.26Å; P628-Y631 CarbonylContact O-C 3.53Å; P628-Y631 PolarHBondContact O-N 3.36Å; A629-Y631 VanDerWaalsContact C-N 3.28Å; A629-Y631 PolarHBondContact O-N 2.93Å; Y631-C633 HydrophobicContact CD2-CB 3.57Å; Y631-C633 VanDerWaalsContact CD2-SG 3.57Å; Y631-C633 HydrophobicContact CE2-CB 3.54Å; Y631-C633 PolarHBondContact O-N 3.12Å; Y631-C633 VanDerWaalsContact O-N 3.09Å; Y631-A762 HydrophobicContact CD1-CB 4.36Å; Y631-A762 HydrophobicContact CE1-CB 3.74Å; Y631-M765 HydrophobicContact CD1-CB 4.37Å; Y631-M765 HydrophobicContact CD2-CB 3.53Å; Y631-M765 HydrophobicContact CD2-CG 4.36Å; Y631-M765 HydrophobicContact CE1-CB 4.45Å; Y631-M765 HydrophobicContact CE2-CB 3.62Å; Y631-M765 HydrophobicContact CE2-CG 4Å; Y631-M765 HydrophobicContact CG-CB 3.92Å
632	D	91.4	Very high	88.6	Confident	76 Å²	76	30.8 Å²	30.8	41%	0.406	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	18.1	173.2	-56.8	-49.1	0	0	0	115.4	K600 P628 A629 A776 R780	K600-D632 WeakPolarHBondContact CE-OD1 3.41Å; K600-D632 IonicContact NZ-OD1 2.78Å; K600-D632 PolarHBondContact NZ-OD1 3.35Å; K600-D632 IonicContact NZ-OD2 2.71Å; K600-D632 PolarHBondContact NZ-OD2 2.88Å; P628-D632 PolarHBondContact O-N 2.8Å; P628-D632 VanDerWaalsContact O-N 3.16Å; A629-D632 PolarHBondContact O-N 3.42Å; A629-D632 VanDerWaalsContact O-N 3.11Å; D632-A776 HydrophobicContact CB-CB 4.16Å; D632-R780 WeakPolarHBondContact O-CD 3.34Å; D632-R780 PolarHBondContact O-NH1 2.8Å
633	C	93.9	Very high	87.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.			trans	-90.7	1.7	177.5	-75.6	0	0	0	0	113.9	P628 Y631 C769 I779 K783	P628-C633 HydrophobicContact CB-CB 4Å; P628-C633 PolarHBondContact O-N 2.9Å; Y631-C633 HydrophobicContact CD2-CB 3.57Å; Y631-C633 VanDerWaalsContact CD2-SG 3.57Å; Y631-C633 HydrophobicContact CE2-CB 3.54Å; Y631-C633 PolarHBondContact O-N 3.12Å; Y631-C633 VanDerWaalsContact O-N 3.09Å; C633-C769 VanDerWaalsContact SG-SG 3.68Å; C633-I779 HydrophobicContact CB-CG2 3.76Å; C633-I779 WeakPolarHBondContact SG-CD1 3.25Å; C633-K783 PolarHBondContact O-NZ 3.42Å
634	E	89.9	Confident	85.9	Confident	15 Å²	15	28.9 Å²	28.9	7%	0.07	17%	0.166	C	C	.	.	S	Bend	trans	-75.7	132.8	174.2	-166.8	66.1	-94.9	0	0	111.1	P628 A629 N636 R780 W993	P628-E634 WeakPolarHBondContact CG-OE2 3.15Å; P628-E634 PolarHBondContact O-N 3.11Å; A629-E634 HydrophobicContact CB-CB 3.98Å; A629-E634 HydrophobicContact CB-CG 4.4Å; E634-N636 VanDerWaalsContact C-N 3.32Å; E634-N636 WeakPolarHBondContact CG-O 3.33Å; E634-N636 PolarHBondContact O-N 3.12Å; E634-R780 WeakPolarHBondContact O-CD 3.46Å; E634-R780 WeakPolarHBondContact O-CG 3.49Å; E634-W993 HydrophobicContact CG-CH2 4.27Å; E634-W993 WeakPolarHBondContact OE1-CH2 3.3Å; E634-W993 VanDerWaalsContact OE1-CZ2 3.24Å; E634-W993 WeakPolarHBondContact OE1-CZ2 3.42Å
635	I	85.5	Confident	84.6	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.041	19%	0.192	C	C	.	.	S	Bend	trans	-57.2	-47.1	-176.9	-61.4	-167.6	0	0	0	111.4	Y578 K783 Q784 W993	Y578-I635 HydrophobicContact CD1-CG2 4.34Å; I635-K783 HydrophobicContact CD1-CB 3.76Å; I635-K783 HydrophobicContact CG1-CB 3.94Å; I635-Q784 HydrophobicContact CD1-CB 4.09Å; I635-Q784 HydrophobicContact CG2-CB 4.48Å; I635-W993 HydrophobicContact CB-CD2 4.26Å; I635-W993 HydrophobicContact CB-CH2 4.37Å; I635-W993 HydrophobicContact CB-CZ2 4.07Å; I635-W993 HydrophobicContact CD1-CD2 4.16Å; I635-W993 HydrophobicContact CD1-CG 4.08Å; I635-W993 HydrophobicContact CD1-CZ2 4.24Å; I635-W993 VanDerWaalsContact CD1-NE1 3.27Å; I635-W993 HydrophobicContact CG1-CZ2 4.09Å
636	N	80.6	Confident	83.4	Confident	7 Å²	7	38.4 Å²	38.4	4%	0.037	21%	0.207	C	C	.	.	S	Bend	trans	-116.9	136.4	177	-59.9	-62.8	0	0	0	110.1	Y578 E634 Q948 W993	Y578-N636 WeakPolarHBondContact CE1-OD1 2.98Å; E634-N636 VanDerWaalsContact C-N 3.32Å; E634-N636 WeakPolarHBondContact CG-O 3.33Å; E634-N636 PolarHBondContact O-N 3.12Å; N636-Q948 VanDerWaalsContact CB-CD 3.43Å; N636-W993 HydrophobicContact CB-CZ3 4.32Å
637	S	80.9	Confident	82.5	Confident	90 Å²	90	40.3 Å²	40.3	63%	0.629	22%	0.215	S	C	*	.			trans	-58.6	143.6	175	-57.6	0	0	0	0	111.2	V639 Q948	S637-V639 PolarHBondContact O-N 3.27Å; S637-Q948 PolarHBondContact O-NE2 3.21Å
638	P	85.1	Confident	81.9	Confident	13 Å²	13	40.3 Å²	40.3	8%	0.084	22%	0.215	C	C	.	.			trans	-56.5	133.1	169.5	-23.7	34	0	0	0	110.5	F599 A629 L671 Y726	F599-P638 HydrophobicContact CD1-CB 4.19Å; F599-P638 HydrophobicContact CD1-CG 3.94Å; F599-P638 HydrophobicContact CD2-CG 4.39Å; F599-P638 HydrophobicContact CE1-CG 3.98Å; F599-P638 HydrophobicContact CE2-CG 4.41Å; F599-P638 HydrophobicContact CG-CB 4.28Å; F599-P638 HydrophobicContact CG-CG 4.16Å; F599-P638 HydrophobicContact CZ-CG 4.21Å; A629-P638 HydrophobicContact CB-CG 3.55Å; P638-L671 HydrophobicContact CB-CD1 4.26Å; P638-L671 HydrophobicContact CB-CD2 4.28Å; P638-L671 HydrophobicContact CG-CD1 4.27Å; P638-L671 HydrophobicContact CG-CD2 3.72Å; P638-Y726 HydrophobicContact CB-CD1 4.31Å; P638-Y726 HydrophobicContact CB-CE1 4.24Å
639	V	79.3	Confident	81.4	Confident	56 Å²	56	43.3 Å²	43.3	34%	0.339	23%	0.23	S	C	.	.			trans	-110.5	130.4	179.2	-174.8	0	0	0	0	108.3	S637 S641 R668	S637-V639 PolarHBondContact O-N 3.27Å; V639-S641 PolarHBondContact O-N 2.63Å; V639-R668 VanDerWaalsContact CB-NH1 3.35Å; V639-R668 VanDerWaalsContact CG1-NH1 3.33Å; V639-R668 PolarHBondContact O-NH1 3.32Å
640	A	81.9	Confident	81.1	Confident	24 Å²	24	47.7 Å²	47.7	20%	0.198	25%	0.252	C	S	.	.			trans	-56	138.6	174.9	0	0	0	0	0	110.5	R668 G725 Y726	A640-R668 PolarHBondContact O-NH1 3.01Å; A640-G725 CarbonylContact C-O 3.52Å; A640-G725 WeakPolarHBondContact CA-O 3.21Å; A640-Y726 HydrophobicContact CB-CE1 4.08Å; A640-Y726 HydrophobicContact CB-CE2 4.22Å; A640-Y726 VanDerWaalsContact N-CE1 3.34Å
641	S	76.1	Confident	80.6	Confident	26 Å²	26	50.3 Å²	50.3	18%	0.182	27%	0.269	C	S	.	.			trans	-70.8	136.6	178.9	-167	0	0	0	0	111.1	V639 D643 G725 P964	V639-S641 PolarHBondContact O-N 2.63Å; S641-D643 PolarHBondContact OG-OD1 3.25Å; S641-G725 PolarHBondContact N-O 2.69Å; S641-P964 VanDerWaalsContact OG-CB 3.28Å; S641-P964 WeakPolarHBondContact OG-CB 3.33Å
642	Q	68.6	Low	80.2	Confident	98 Å²	98	58.2 Å²	58.2	46%	0.458	30%	0.304	S	S	.	.			trans	-140.2	69.8	171.8	-71.5	-178.4	-17	0	0	106.6	S644 Q951	Q642-S644 PolarHBondContact O-N 3.36Å; Q642-Q951 VanDerWaalsContact CD-NE2 3.28Å
643	D	65.7	Low	79.9	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.193	31%	0.311	C	S	.	.			trans	-70.6	122.3	-179.5	-75	-19.4	0	0	0	109.9	S641 V648 P964 V965	S641-D643 PolarHBondContact OG-OD1 3.25Å; D643-V648 HydrophobicContact CB-CG2 4.24Å; D643-P964 VanDerWaalsContact OD2-CA 3.23Å; D643-P964 WeakPolarHBondContact OD2-CA 3.16Å; D643-P964 WeakPolarHBondContact OD2-CB 3.3Å; D643-V965 PolarHBondContact OD2-N 3.27Å
644	S	65.9	Low	79.6	Confident	16 Å²	16	61.2 Å²	61.2	11%	0.112	32%	0.323	C	S	.	.			trans	-81.7	134.2	172.8	-179.2	0	0	0	0	109.8	Q642 K646 F647	Q642-S644 PolarHBondContact O-N 3.36Å; S644-K646 PolarHBondContact O-N 2.9Å; S644-K646 WeakPolarHBondContact OG-CB 3.29Å; S644-K646 WeakPolarHBondContact OG-CG 3.5Å; S644-K646 PolarHBondContact OG-N 3.49Å; S644-F647 PolarHBondContact O-N 3.21Å
645	Q	66.4	Low	79.5	Confident	137 Å²	137	61 Å²	61	64%	0.64	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-11.1	170.1	-68.1	-176.2	-13.4	0	0	113.7	F647 K658	Q645-F647 VanDerWaalsContact C-N 3.34Å; Q645-K658 PolarHBondContact O-NZ 2.94Å
646	K	71.9	Confident	79.6	Confident	145 Å²	145	63.6 Å²	63.6	63%	0.63	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-42.8	170.3	-70.7	-179	179.4	-179.8	0	112.3	S644 K658	S644-K646 PolarHBondContact O-N 2.9Å; S644-K646 WeakPolarHBondContact OG-CB 3.29Å; S644-K646 WeakPolarHBondContact OG-CG 3.5Å; S644-K646 PolarHBondContact OG-N 3.49Å; K646-K658 PolarHBondContact O-NZ 3.43Å; K646-K658 VanDerWaalsContact O-NZ 3.1Å
647	F	75.6	Confident	79.8	Confident	44 Å²	44	64.8 Å²	64.8	19%	0.193	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-18	-167	-52.2	-65.3	0	0	0	114.6	S644 Q645 K658 Q663 P665	S644-F647 PolarHBondContact O-N 3.21Å; Q645-F647 VanDerWaalsContact C-N 3.34Å; F647-K658 PolarHBondContact O-N 3.33Å; F647-K658 VanDerWaalsContact O-N 3.14Å; F647-Q663 HydrophobicContact CD1-CB 4.3Å; F647-Q663 HydrophobicContact CD1-CG 4.31Å; F647-Q663 HydrophobicContact CE1-CB 4.04Å; F647-Q663 HydrophobicContact CE1-CG 3.93Å; F647-P665 HydrophobicContact CB-CB 4.32Å
648	V	82.1	Confident	80	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.8	-171.8	-59.4	0	0	0	0	111.3	D643 I650 A655 V656 K658 P665 V965	D643-V648 HydrophobicContact CB-CG2 4.24Å; V648-I650 HydrophobicContact CG2-CD1 4.47Å; V648-A655 HydrophobicContact CB-CB 4.05Å; V648-A655 HydrophobicContact CG1-CB 4.24Å; V648-A655 HydrophobicContact CG2-CB 4.05Å; V648-V656 CarbonylContact C-O 3.57Å; V648-V656 VanDerWaalsContact CA-O 3.22Å; V648-V656 WeakPolarHBondContact CA-O 3.25Å; V648-V656 WeakPolarHBondContact CB-O 3.35Å; V648-K658 WeakPolarHBondContact O-CE 3.11Å; V648-P665 HydrophobicContact CG1-CB 3.99Å; V648-P665 HydrophobicContact CG1-CG 4.08Å; V648-V965 HydrophobicContact CG1-CG2 3.88Å
649	D	86.1	Confident	79.2	Confident	84 Å²	84	73.8 Å²	73.8	45%	0.449	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	151.2	161.3	-65.1	-39.2	0	0	0	108.8	V651 A655 V656 K658	D649-V651 HydrophobicContact CB-CG2 4.5Å; D649-A655 CarbonylContact O-C 3.57Å; D649-A655 WeakPolarHBondContact O-CA 3.45Å; D649-V656 PolarHBondContact N-O 2.92Å; D649-V656 PolarHBondContact O-N 2.99Å; D649-K658 WeakPolarHBondContact OD1-CE 3.41Å; D649-K658 WeakPolarHBondContact OD2-CG 3.4Å
650	I	85.6	Confident	79	Confident	93 Å²	93	76.9 Å²	76.9	48%	0.477	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.7	173	-55.5	-54.1	0	0	0	108.5	V648 C654 A655 A962	V648-I650 HydrophobicContact CG2-CD1 4.47Å; I650-C654 WeakPolarHBondContact CA-O 3.18Å; I650-A655 HydrophobicContact CD1-CB 4Å; I650-A962 HydrophobicContact CD1-CB 3.76Å; I650-A962 HydrophobicContact CG2-CB 4.12Å
651	V	85.8	Confident	78.6	Confident	68 Å²	68	76.5 Å²	76.5	41%	0.412	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.5	179.2	-177	0	0	0	0	107.8	D649 D653 C654 V656	D649-V651 HydrophobicContact CB-CG2 4.5Å; V651-D653 VanDerWaalsContact C-N 3.31Å; V651-D653 PolarHBondContact O-N 2.99Å; V651-C654 PolarHBondContact N-O 3.39Å; V651-C654 WeakPolarHBondContact O-CB 3.45Å; V651-C654 PolarHBondContact O-N 3.01Å; V651-V656 HydrophobicContact CB-CG2 4.07Å; V651-V656 HydrophobicContact CG2-CG2 4.23Å
652	F	85.6	Confident	78.5	Confident	178 Å²	178	78.6 Å²	78.6	78%	0.781	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	44.6	-177.3	-53.3	-64.2	0	0	0	114.2	C654 K713	F652-C654 PolarHBondContact O-N 3.37Å; F652-K713 PolarHBondContact O-NZ 3.15Å
653	D	85.6	Confident	79.1	Confident	102 Å²	102	77.8 Å²	77.8	55%	0.545	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	23.1	-172.7	-27.1	-61.9	0	0	0	115.1	V651 K713 A962 M963	V651-D653 VanDerWaalsContact C-N 3.31Å; V651-D653 PolarHBondContact O-N 2.99Å; D653-K713 IonicContact OD2-NZ 3.67Å; D653-K713 PolarHBondContact OD2-NZ 3.2Å; D653-A962 CarbonylContact O-C 3.57Å; D653-A962 VanDerWaalsContact O-CA 3.28Å; D653-A962 WeakPolarHBondContact O-CA 3.5Å; D653-A962 WeakPolarHBondContact O-CB 3.42Å; D653-M963 PolarHBondContact O-N 3.32Å
654	C	88	Confident	79.8	Confident	38 Å²	38	77 Å²	77	26%	0.257	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.7	170.5	-63.3	0	0	0	0	108.9	I650 V651 F652 M963	I650-C654 WeakPolarHBondContact CA-O 3.18Å; V651-C654 PolarHBondContact N-O 3.39Å; V651-C654 WeakPolarHBondContact O-CB 3.45Å; V651-C654 PolarHBondContact O-N 3.01Å; F652-C654 PolarHBondContact O-N 3.37Å; C654-M963 CarbonylContact C-O 3.53Å; C654-M963 WeakPolarHBondContact CA-O 3.07Å
655	A	87.3	Confident	80.4	Confident	10 Å²	10	76.4 Å²	76.4	8%	0.083	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.1	167.4	0	0	0	0	0	109	V648 D649 I650 M963 V965	V648-A655 HydrophobicContact CB-CB 4.05Å; V648-A655 HydrophobicContact CG1-CB 4.24Å; V648-A655 HydrophobicContact CG2-CB 4.05Å; D649-A655 CarbonylContact O-C 3.57Å; D649-A655 WeakPolarHBondContact O-CA 3.45Å; I650-A655 HydrophobicContact CD1-CB 4Å; A655-M963 WeakPolarHBondContact CB-O 3.22Å; A655-M963 PolarHBondContact N-O 3.01Å; A655-V965 HydrophobicContact CB-CG2 4Å; A655-V965 VanDerWaalsContact O-CG2 3.28Å; A655-V965 WeakPolarHBondContact O-CG2 3.2Å
656	V	87.1	Confident	80.7	Confident	63 Å²	63	71.4 Å²	71.4	38%	0.382	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136	176.4	-177.2	0	0	0	0	108.2	V648 D649 V651 K658	V648-V656 CarbonylContact C-O 3.57Å; V648-V656 VanDerWaalsContact CA-O 3.22Å; V648-V656 WeakPolarHBondContact CA-O 3.25Å; V648-V656 WeakPolarHBondContact CB-O 3.35Å; D649-V656 PolarHBondContact N-O 2.92Å; D649-V656 PolarHBondContact O-N 2.99Å; V651-V656 HydrophobicContact CB-CG2 4.07Å; V651-V656 HydrophobicContact CG2-CG2 4.23Å; V656-K658 PolarHBondContact O-N 2.88Å
657	P	85.2	Confident	81	Confident	32 Å²	32	66.6 Å²	66.6	21%	0.208	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	134	175	-21.2	33	0	0	0	111.1	W659 L664 P665 V965 F968	P657-W659 PolarHBondContact O-N 3.29Å; P657-L664 HydrophobicContact CB-CD2 4.24Å; P657-P665 HydrophobicContact CB-CG 4.13Å; P657-P665 HydrophobicContact CG-CG 4.04Å; P657-V965 HydrophobicContact CG-CG1 3.83Å; P657-V965 HydrophobicContact CG-CG2 3.93Å; P657-F968 HydrophobicContact CG-CD1 4.14Å; P657-F968 HydrophobicContact CG-CE1 4.14Å
658	K	84.4	Confident	81.3	Confident	61 Å²	61	65.9 Å²	65.9	27%	0.265	35%	0.346	S	S	.	.			trans	-63.1	126.9	172.8	-77.6	177	-177.1	170.3	0	110.7	Q645 K646 F647 V648 D649 V656 N660 A661	Q645-K658 PolarHBondContact O-NZ 2.94Å; K646-K658 PolarHBondContact O-NZ 3.43Å; K646-K658 VanDerWaalsContact O-NZ 3.1Å; F647-K658 PolarHBondContact O-N 3.33Å; F647-K658 VanDerWaalsContact O-N 3.14Å; V648-K658 WeakPolarHBondContact O-CE 3.11Å; D649-K658 WeakPolarHBondContact OD1-CE 3.41Å; D649-K658 WeakPolarHBondContact OD2-CG 3.4Å; V656-K658 PolarHBondContact O-N 2.88Å; K658-N660 VanDerWaalsContact C-N 3.3Å; K658-N660 PolarHBondContact O-N 2.68Å; K658-N660 VanDerWaalsContact O-N 3.16Å; K658-A661 HydrophobicContact CB-CB 3.92Å; K658-A661 PolarHBondContact O-N 2.66Å
659	W	69.9	Low	81.5	Confident	231 Å²	231	67.1 Å²	67.1	88%	0.875	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-42.6	-175.7	176.7	-103.3	0	0	0	114	P657	P657-W659 PolarHBondContact O-N 3.29Å
660	N	73.5	Confident	81.8	Confident	120 Å²	120	63.5 Å²	63.5	64%	0.642	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	21.4	-177	-70.9	-20.9	0	0	0	114.4	K658 G662	K658-N660 VanDerWaalsContact C-N 3.3Å; K658-N660 PolarHBondContact O-N 2.68Å; K658-N660 VanDerWaalsContact O-N 3.16Å; N660-G662 PolarHBondContact O-N 2.85Å
661	A	73.2	Confident	82.3	Confident	17 Å²	17	59.2 Å²	59.2	14%	0.14	31%	0.31	C	S	.	.			trans	-64.6	130	178.1	0	0	0	0	0	110.4	K658 Q663 K943	K658-A661 HydrophobicContact CB-CB 3.92Å; K658-A661 PolarHBondContact O-N 2.66Å; A661-Q663 VanDerWaalsContact CB-O 3.24Å; A661-Q663 WeakPolarHBondContact CB-O 3.49Å; A661-Q663 PolarHBondContact O-N 2.9Å; A661-Q663 VanDerWaalsContact O-N 3.1Å; A661-K943 PolarHBondContact O-NZ 3.34Å
662	G	76.1	Confident	82.8	Confident	69 Å²	69	57.8 Å²	57.8	71%	0.711	30%	0.299	S	S	*	.	S	Bend	trans	-59	-20.2	171.6	0	0	0	0	0	112.6	N660	N660-G662 PolarHBondContact O-N 2.85Å
663	Q	79.7	Confident	83.3	Confident	81 Å²	81	49.3 Å²	49.3	38%	0.379	26%	0.262	S	S	.	.	S	Bend	trans	-135.2	128.6	178	-179.4	173.8	-22.6	0	0	110.4	F647 A661 G942	F647-Q663 HydrophobicContact CD1-CB 4.3Å; F647-Q663 HydrophobicContact CD1-CG 4.31Å; F647-Q663 HydrophobicContact CE1-CB 4.04Å; F647-Q663 HydrophobicContact CE1-CG 3.93Å; A661-Q663 VanDerWaalsContact CB-O 3.24Å; A661-Q663 WeakPolarHBondContact CB-O 3.49Å; A661-Q663 PolarHBondContact O-N 2.9Å; A661-Q663 VanDerWaalsContact O-N 3.1Å; Q663-G942 WeakPolarHBondContact CA-O 3.27Å
664	L	81	Confident	83.8	Confident	19 Å²	19	44.6 Å²	44.6	10%	0.099	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-81.3	155.1	174.5	-67.4	177	0	0	0	111.6	P657 G942 K943 T945 R949 F968	P657-L664 HydrophobicContact CB-CD2 4.24Å; L664-G942 PolarHBondContact N-O 2.99Å; L664-K943 HydrophobicContact CD1-CB 4.37Å; L664-K943 HydrophobicContact CD1-CD 4.34Å; L664-K943 WeakPolarHBondContact CD1-O 3.33Å; L664-K943 HydrophobicContact CG-CD 4.21Å; L664-T945 HydrophobicContact CB-CG2 3.64Å; L664-T945 HydrophobicContact CD1-CG2 3.71Å; L664-T945 HydrophobicContact CG-CG2 4.33Å; L664-R949 PolarHBondContact O-NH1 3Å; L664-F968 HydrophobicContact CD1-CE1 4.25Å
665	P	77.9	Confident	84.1	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.026	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-58.8	151.3	173.6	25	-33.8	0	0	0	111.3	F647 V648 P657 V965	F647-P665 HydrophobicContact CB-CB 4.32Å; V648-P665 HydrophobicContact CG1-CB 3.99Å; V648-P665 HydrophobicContact CG1-CG 4.08Å; P657-P665 HydrophobicContact CB-CG 4.13Å; P657-P665 HydrophobicContact CG-CG 4.04Å; P665-V965 HydrophobicContact CG-CB 4.19Å; P665-V965 HydrophobicContact CG-CG1 4.23Å; P665-V965 HydrophobicContact CG-CG2 4.06Å
666	P	73.1	Confident	84.5	Confident	32 Å²	32	43 Å²	43	21%	0.208	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-63.1	141.7	178	28	-34	0	0	0	110.4	R668	P666-R668 PolarHBondContact O-N 3.08Å
667	W	78.8	Confident	84.8	Confident	45 Å²	45	40 Å²	40	17%	0.17	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-62.1	133.6	176	174.1	74.5	0	0	0	111.5	Q669 T945 W993	W667-Q669 HydrophobicContact CH2-CB 3.72Å; W667-Q669 HydrophobicContact CH2-CG 4.28Å; W667-Q669 HydrophobicContact CZ2-CB 3.63Å; W667-Q669 HydrophobicContact CZ3-CB 4.4Å; W667-T945 VanDerWaalsContact CB-C 3.47Å; W667-T945 WeakPolarHBondContact CB-O 3.17Å; W667-T945 PolarHBondContact N-O 3.21Å; W667-W993 HydrophobicContact CH2-CH2 4.35Å; W667-W993 HydrophobicContact CH2-CZ3 4.18Å; W667-W993 HydrophobicContact CZ3-CE3 4.49Å; W667-W993 HydrophobicContact CZ3-CH2 4.46Å; W667-W993 AromaticContact CZ3-CZ3 3.85Å; W667-W993 HydrophobicContact CZ3-CZ3 3.85Å
668	R	82.2	Confident	85.1	Confident	29 Å²	29	41.9 Å²	41.9	11%	0.109	22%	0.216	C	C	.	.			trans	-125.4	121.5	174.6	-58.5	-60.6	179.1	159.5	-0	108.5	V639 A640 P666 I966 D967	V639-R668 VanDerWaalsContact CB-NH1 3.35Å; V639-R668 VanDerWaalsContact CG1-NH1 3.33Å; V639-R668 PolarHBondContact O-NH1 3.32Å; A640-R668 PolarHBondContact O-NH1 3.01Å; P666-R668 PolarHBondContact O-N 3.08Å; R668-I966 CarbonylContact O-C 3.49Å; R668-I966 WeakPolarHBondContact O-CA 3.28Å; R668-D967 PolarHBondContact O-N 3.46Å
669	Q	85.5	Confident	85.4	Confident	34 Å²	34	41.1 Å²	41.1	16%	0.159	21%	0.214	C	C	.	.			trans	-81.9	146.2	173.6	62.7	-174.7	-17.8	0	0	111.4	W667 D967	W667-Q669 HydrophobicContact CH2-CB 3.72Å; W667-Q669 HydrophobicContact CH2-CG 4.28Å; W667-Q669 HydrophobicContact CZ2-CB 3.63Å; W667-Q669 HydrophobicContact CZ3-CB 4.4Å; Q669-D967 WeakPolarHBondContact CA-OD1 3.25Å
670	S	93.1	Very high	86.4	Confident	8 Å²	8	34.4 Å²	34.4	6%	0.056	20%	0.196	C	C	.	.			trans	-80.1	144.9	161.8	67.9	0	0	0	0	111.3	V727 D967	S670-V727 WeakPolarHBondContact CA-O 3.46Å; S670-D967 WeakPolarHBondContact CB-OD2 3.35Å; S670-D967 PolarHBondContact N-OD1 3.3Å; S670-D967 PolarHBondContact OG-OD1 2.98Å; S670-D967 PolarHBondContact OG-OD2 3.16Å
671	L	96	Very high	87.1	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	105.6	175.3	-65	175.6	0	0	0	108.9	F599 A629 F630 P638 V727 F728 R729	F599-L671 HydrophobicContact CB-CD1 4.13Å; F599-L671 HydrophobicContact CD2-CD1 3.57Å; F599-L671 HydrophobicContact CE2-CD1 4.32Å; F599-L671 HydrophobicContact CG-CD1 4.08Å; A629-L671 HydrophobicContact CB-CD2 3.85Å; F630-L671 HydrophobicContact CE2-CB 4.21Å; F630-L671 HydrophobicContact CZ-CB 4.37Å; P638-L671 HydrophobicContact CB-CD1 4.26Å; P638-L671 HydrophobicContact CB-CD2 4.28Å; P638-L671 HydrophobicContact CG-CD1 4.27Å; P638-L671 HydrophobicContact CG-CD2 3.72Å; L671-V727 PolarHBondContact N-O 3.07Å; L671-F728 HydrophobicContact CB-CD1 3.7Å; L671-F728 HydrophobicContact CB-CE1 4.07Å; L671-F728 HydrophobicContact CD1-CD1 4.1Å; L671-F728 HydrophobicContact CD1-CE1 3.61Å; L671-F728 HydrophobicContact CD1-CZ 4.28Å; L671-F728 HydrophobicContact CG-CE1 4.49Å; L671-F728 CarbonylContact O-C 3.52Å; L671-F728 VanDerWaalsContact O-CA 3.29Å; L671-F728 WeakPolarHBondContact O-CA 3.26Å; L671-R729 PolarHBondContact O-N 2.93Å
672	E	96.2	Very high	87.8	Confident	39 Å²	39	34.7 Å²	34.7	18%	0.182	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.1	-175.1	-65.5	-172.1	171.2	0	0	112	L626 S627 R729 R758	L626-E672 HydrophobicContact CB-CB 4.15Å; L626-E672 WeakPolarHBondContact CB-O 3.39Å; L626-E672 PolarHBondContact N-O 2.87Å; S627-E672 PolarHBondContact N-O 3.45Å; S627-E672 PolarHBondContact OG-N 2.86Å; E672-R729 WeakPolarHBondContact CA-O 3.48Å; E672-R729 HydrophobicContact CG-CB 4.28Å; E672-R758 IonicContact OE2-CZ 2.84Å; E672-R758 IonicContact OE2-NH1 2.73Å; E672-R758 PolarHBondContact OE2-NH1 3.08Å; E672-R758 IonicContact OE2-NH2 3.67Å; E672-R758 PolarHBondContact OE2-NH2 2.87Å
673	V	96.6	Very high	88.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142	175.4	-64.1	0	0	0	0	109.3	F603 V623 A624 F630 R729 L730 L731	F603-V673 HydrophobicContact CD2-CG1 4.24Å; F603-V673 HydrophobicContact CE2-CB 4.15Å; F603-V673 HydrophobicContact CE2-CG1 3.52Å; F603-V673 HydrophobicContact CE2-CG2 4.06Å; F603-V673 HydrophobicContact CZ-CB 4.32Å; F603-V673 HydrophobicContact CZ-CG1 3.79Å; V623-V673 HydrophobicContact CG1-CB 4.27Å; A624-V673 CarbonylContact O-C 3.49Å; A624-V673 VanDerWaalsContact O-CA 3.23Å; A624-V673 WeakPolarHBondContact O-CA 2.84Å; F630-V673 HydrophobicContact CE2-CG1 3.67Å; F630-V673 HydrophobicContact CZ-CG1 3.75Å; V673-R729 PolarHBondContact N-O 3.24Å; V673-L730 HydrophobicContact CG2-CB 4.38Å; V673-L730 HydrophobicContact CG2-CD1 3.69Å; V673-L730 CarbonylContact O-C 3.51Å; V673-L730 WeakPolarHBondContact O-CA 3.35Å; V673-L731 PolarHBondContact O-N 3.1Å
674	L	95.3	Very high	88.7	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.2	-176.7	-176.6	73.8	0	0	0	110.6	V623 A624 L626 L731 R733 V759	V623-L674 CarbonylContact C-O 3.59Å; V623-L674 WeakPolarHBondContact CA-O 3.19Å; A624-L674 HydrophobicContact CB-CB 4.4Å; A624-L674 PolarHBondContact N-O 3.12Å; A624-L674 PolarHBondContact O-N 3.16Å; L626-L674 HydrophobicContact CD1-CB 4Å; L626-L674 HydrophobicContact CG-CB 4.26Å; L674-L731 WeakPolarHBondContact CA-O 3.42Å; L674-L731 HydrophobicContact CD1-CB 3.57Å; L674-R733 HydrophobicContact CD1-CB 4Å; L674-R733 HydrophobicContact CD2-CB 4.29Å; L674-R733 HydrophobicContact CG-CB 4.26Å; L674-V759 HydrophobicContact CB-CG2 4.44Å; L674-V759 HydrophobicContact CD2-CG2 3.36Å
675	A	95.1	Very high	88.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.4	168.5	0	0	0	0	0	110.4	I620 D622 L730 L731 I732 R733	I620-A675 HydrophobicContact CG2-CB 4.36Å; D622-A675 WeakPolarHBondContact O-CA 3.25Å; A675-L730 HydrophobicContact CB-CD1 3.72Å; A675-L730 HydrophobicContact CB-CD2 4.44Å; A675-L730 HydrophobicContact CB-CG 4.16Å; A675-L731 PolarHBondContact N-O 3.46Å; A675-I732 HydrophobicContact CB-CD1 4.23Å; A675-R733 PolarHBondContact O-N 2.88Å
676	S	93.7	Very high	89.1	Confident	15 Å²	15	45.8 Å²	45.8	11%	0.105	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.2	168.3	-64.3	0	0	0	0	109.3	I621 D622 R733	I621-S676 WeakPolarHBondContact CB-O 3.39Å; I621-S676 PolarHBondContact N-O 3.35Å; D622-S676 PolarHBondContact N-O 2.83Å; D622-S676 PolarHBondContact O-N 3.07Å; S676-R733 WeakPolarHBondContact CA-O 3.29Å
677	I	93.6	Very high	89.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.3	-176.8	69.7	-178.4	0	0	0	111.7	F618 N619 I620 L679 V697 I732 R733 A735	F618-I677 HydrophobicContact CD2-CB 4.12Å; F618-I677 HydrophobicContact CD2-CD1 4.35Å; F618-I677 HydrophobicContact CD2-CG2 4.08Å; F618-I677 HydrophobicContact CE2-CG2 4.23Å; N619-I677 WeakPolarHBondContact O-CA 3.44Å; I620-I677 HydrophobicContact CG1-CG2 4.32Å; I677-L679 HydrophobicContact CD1-CB 4.04Å; I677-L679 HydrophobicContact CD1-CD1 3.75Å; I677-L679 HydrophobicContact CD1-CG 4.05Å; I677-L679 HydrophobicContact CG1-CB 4.13Å; I677-L679 HydrophobicContact CG1-CG 4.41Å; I677-L679 PolarHBondContact O-N 3.45Å; I677-L679 VanDerWaalsContact O-N 3.09Å; I677-V697 HydrophobicContact CD1-CB 4.24Å; I677-V697 HydrophobicContact CD1-CG1 3.74Å; I677-V697 HydrophobicContact CD1-CG2 3.53Å; I677-I732 HydrophobicContact CD1-CG2 3.95Å; I677-R733 PolarHBondContact N-O 2.71Å; I677-A735 PolarHBondContact O-N 3.48Å
678	N	92.1	Very high	90.2	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	32	-179.5	74.3	-19.4	0	0	0	114.3	F618 N619 I621	F618-N678 WeakPolarHBondContact CA-OD1 3.44Å; F618-N678 WeakPolarHBondContact CB-OD1 3.44Å; N619-N678 PolarHBondContact N-OD1 3.09Å; N619-N678 PolarHBondContact ND2-ND2 3.26Å; N619-N678 PolarHBondContact O-N 3.19Å; N619-N678 PolarHBondContact O-OD1 2.98Å; I621-N678 HydrophobicContact CD1-CB 3.88Å; I621-N678 HydrophobicContact CG1-CB 4.06Å
679	L	91.6	Very high	90.6	Very high	45 Å²	45	47.1 Å²	47.1	24%	0.236	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.9	171.6	-73	-179.3	0	0	0	110.4	F618 I677 A681 L693 V697 C734 A735	F618-L679 HydrophobicContact CB-CD1 4.06Å; F618-L679 HydrophobicContact CB-CD2 3.76Å; F618-L679 HydrophobicContact CB-CG 3.55Å; F618-L679 HydrophobicContact CD1-CD1 3.52Å; F618-L679 HydrophobicContact CD1-CD2 4.38Å; F618-L679 HydrophobicContact CD1-CG 4.02Å; F618-L679 HydrophobicContact CE1-CD1 4.17Å; F618-L679 HydrophobicContact CG-CD1 3.89Å; F618-L679 HydrophobicContact CG-CD2 4.45Å; F618-L679 HydrophobicContact CG-CG 3.94Å; I677-L679 HydrophobicContact CD1-CB 4.04Å; I677-L679 HydrophobicContact CD1-CD1 3.75Å; I677-L679 HydrophobicContact CD1-CG 4.05Å; I677-L679 HydrophobicContact CG1-CB 4.13Å; I677-L679 HydrophobicContact CG1-CG 4.41Å; I677-L679 PolarHBondContact O-N 3.45Å; I677-L679 VanDerWaalsContact O-N 3.09Å; L679-A681 PolarHBondContact O-N 2.89Å; L679-L693 HydrophobicContact CD1-CD1 4.21Å; L679-V697 HydrophobicContact CD1-CG2 3.66Å; L679-C734 CarbonylContact O-C 3.57Å; L679-C734 WeakPolarHBondContact O-CB 3.36Å; L679-A735 PolarHBondContact O-N 3.37Å
680	N	89.4	Confident	90.9	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	111.4	-178.8	-174.8	-4.4	0	0	0	111.5	K682 H683 A735	N680-K682 VanDerWaalsContact OD1-CB 3.29Å; N680-K682 WeakPolarHBondContact OD1-CB 3.45Å; N680-K682 VanDerWaalsContact OD1-CG 3.27Å; N680-K682 WeakPolarHBondContact OD1-CG 3.38Å; N680-K682 PolarHBondContact OD1-N 3.42Å; N680-H683 PolarHBondContact O-CE1 2.99Å; N680-H683 PolarHBondContact O-ND1 2.94Å; N680-A735 CarbonylContact C-O 3.59Å; N680-A735 VanDerWaalsContact CA-O 3.31Å; N680-A735 WeakPolarHBondContact CA-O 3.4Å
681	A	89.5	Confident	90.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.			trans	-93.1	0.4	179.5	0	0	0	0	0	114.3	L679 H683 L684 L690 L693 C734 A735 E737	L679-A681 PolarHBondContact O-N 2.89Å; A681-H683 PolarHBondContact O-N 3.05Å; A681-H683 VanDerWaalsContact O-N 3.09Å; A681-L684 HydrophobicContact CB-CD1 3.86Å; A681-L684 HydrophobicContact CB-CG 4.4Å; A681-L684 WeakPolarHBondContact O-CB 3.39Å; A681-L684 VanDerWaalsContact O-CG 3.31Å; A681-L684 WeakPolarHBondContact O-CG 3.39Å; A681-L684 PolarHBondContact O-N 3.03Å; A681-L690 HydrophobicContact CB-CD1 3.94Å; A681-L693 HydrophobicContact CB-CD2 4.37Å; A681-C734 HydrophobicContact CB-CB 3.87Å; A681-A735 PolarHBondContact N-O 3.42Å; A681-E737 HydrophobicContact CB-CB 4.03Å
682	K	87.7	Confident	90.7	Very high	142 Å²	142	58.7 Å²	58.7	62%	0.617	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22	-176.3	-67.3	-173.7	-177	-171.3	0	115.1	N680 L684 S739	N680-K682 VanDerWaalsContact OD1-CB 3.29Å; N680-K682 WeakPolarHBondContact OD1-CB 3.45Å; N680-K682 VanDerWaalsContact OD1-CG 3.27Å; N680-K682 WeakPolarHBondContact OD1-CG 3.38Å; N680-K682 PolarHBondContact OD1-N 3.42Å; K682-L684 VanDerWaalsContact C-N 3.32Å; K682-S739 WeakPolarHBondContact CA-OG 3.34Å
683	H	85.7	Confident	90.5	Very high	136 Å²	136	59 Å²	59	63%	0.63	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.9	-179.7	66.3	-84.3	0	0	0	113	N680 A681	N680-H683 PolarHBondContact O-CE1 2.99Å; N680-H683 PolarHBondContact O-ND1 2.94Å; A681-H683 PolarHBondContact O-N 3.05Å; A681-H683 VanDerWaalsContact O-N 3.09Å
684	L	88	Confident	90.4	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.131	28%	0.28	C	S	.	.			trans	-74	138.7	179.6	-56	-179.2	0	0	0	109.9	A681 K682 E689 L690 L693 V740	A681-L684 HydrophobicContact CB-CD1 3.86Å; A681-L684 HydrophobicContact CB-CG 4.4Å; A681-L684 WeakPolarHBondContact O-CB 3.39Å; A681-L684 VanDerWaalsContact O-CG 3.31Å; A681-L684 WeakPolarHBondContact O-CG 3.39Å; A681-L684 PolarHBondContact O-N 3.03Å; K682-L684 VanDerWaalsContact C-N 3.32Å; L684-E689 WeakPolarHBondContact CA-OE2 3.4Å; L684-E689 HydrophobicContact CB-CB 4.29Å; L684-E689 HydrophobicContact CD2-CB 4.05Å; L684-L690 HydrophobicContact CD1-CB 3.94Å; L684-L690 HydrophobicContact CD1-CD1 3.98Å; L684-L693 HydrophobicContact CD1-CB 4.45Å; L684-L693 HydrophobicContact CD1-CD2 3.9Å; L684-V740 HydrophobicContact CB-CG2 3.96Å
685	K	82.6	Confident	90.4	Very high	179 Å²	179	63.5 Å²	63.5	78%	0.778	30%	0.297	S	S	*	.			trans	-99.3	-21.7	-173.1	-62.2	-176.6	-178.4	178.5	0	113.4	E689	K685-E689 PolarHBondContact N-OE2 2.94Å
686	D	84.9	Confident	90.4	Very high	66 Å²	66	65.6 Å²	65.6	35%	0.353	31%	0.314	S	S	.	.	S	Bend	trans	-140.9	153.2	-176.4	178.8	35.5	0	0	0	111.9	S688 E689 L690	D686-S688 PolarHBondContact O-N 3.43Å; D686-S688 WeakPolarHBondContact OD2-CB 3.47Å; D686-S688 PolarHBondContact OD2-N 2.98Å; D686-S688 PolarHBondContact OD2-OG 3.41Å; D686-E689 WeakPolarHBondContact O-CB 3.26Å; D686-E689 PolarHBondContact O-N 3.19Å; D686-E689 VanDerWaalsContact O-N 3.08Å; D686-L690 PolarHBondContact O-N 3.29Å
687	I	86.3	Confident	90.5	Very high	20 Å²	20	65 Å²	65	10%	0.103	31%	0.31	C	S	.	.	H	α-helix	trans	-53.9	-35.4	173.5	-104.6	-177.8	0	0	0	111.9	E689 L690 R691 V740 Y741 L744	I687-E689 VanDerWaalsContact C-N 3.27Å; I687-E689 PolarHBondContact O-N 3.41Å; I687-L690 PolarHBondContact O-N 3.42Å; I687-R691 HydrophobicContact CG2-CG 4.29Å; I687-R691 WeakPolarHBondContact O-CB 3.46Å; I687-R691 VanDerWaalsContact O-CG 3.29Å; I687-R691 WeakPolarHBondContact O-CG 3.22Å; I687-R691 PolarHBondContact O-N 2.97Å; I687-V740 HydrophobicContact CG1-CG1 4.49Å; I687-Y741 HydrophobicContact CD1-CD1 4.02Å; I687-Y741 HydrophobicContact CD1-CE1 3.84Å; I687-Y741 HydrophobicContact CG1-CD1 4.44Å; I687-Y741 HydrophobicContact CG1-CE1 4.18Å; I687-L744 HydrophobicContact CD1-CD1 3.12Å; I687-L744 HydrophobicContact CD1-CD2 4.29Å; I687-L744 HydrophobicContact CD1-CG 4.32Å; I687-L744 HydrophobicContact CG1-CD1 3.65Å
688	S	89.3	Confident	90.6	Very high	48 Å²	48	65 Å²	65	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-64.5	-34.9	-178.9	-50.1	0	0	0	0	111.6	D686 R692	D686-S688 PolarHBondContact O-N 3.43Å; D686-S688 WeakPolarHBondContact OD2-CB 3.47Å; D686-S688 PolarHBondContact OD2-N 2.98Å; D686-S688 PolarHBondContact OD2-OG 3.41Å; S688-R692 WeakPolarHBondContact O-CG 3.44Å; S688-R692 PolarHBondContact O-N 3.45Å; S688-R692 VanDerWaalsContact O-N 3.1Å
689	E	91.3	Very high	90.8	Very high	67 Å²	67	66.1 Å²	66.1	31%	0.313	32%	0.315	S	S	.	.	H	α-helix	trans	-68.6	-44.1	174.5	-59.3	-178.6	160.5	0	0	111.1	L684 K685 D686 I687 R691 R692 L693	L684-E689 WeakPolarHBondContact CA-OE2 3.4Å; L684-E689 HydrophobicContact CB-CB 4.29Å; L684-E689 HydrophobicContact CD2-CB 4.05Å; K685-E689 PolarHBondContact N-OE2 2.94Å; D686-E689 WeakPolarHBondContact O-CB 3.26Å; D686-E689 PolarHBondContact O-N 3.19Å; D686-E689 VanDerWaalsContact O-N 3.08Å; I687-E689 VanDerWaalsContact C-N 3.27Å; I687-E689 PolarHBondContact O-N 3.41Å; E689-R691 PolarHBondContact O-N 3.34Å; E689-R692 PolarHBondContact O-N 3.42Å; E689-L693 PolarHBondContact O-N 3.03Å
690	L	90.3	Very high	91	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-42	175.7	179.3	64.6	0	0	0	112	A681 L684 D686 I687 R692 L693 K694 C734 E737 V740 Y741	A681-L690 HydrophobicContact CB-CD1 3.94Å; L684-L690 HydrophobicContact CD1-CB 3.94Å; L684-L690 HydrophobicContact CD1-CD1 3.98Å; D686-L690 PolarHBondContact O-N 3.29Å; I687-L690 PolarHBondContact O-N 3.42Å; L690-R692 PolarHBondContact O-N 2.88Å; L690-L693 WeakPolarHBondContact O-CB 3.48Å; L690-L693 PolarHBondContact O-N 3.03Å; L690-K694 HydrophobicContact CD1-CG 4.36Å; L690-K694 HydrophobicContact CG-CD 4.48Å; L690-K694 WeakPolarHBondContact O-CG 3.44Å; L690-K694 PolarHBondContact O-N 2.96Å; L690-C734 HydrophobicContact CD1-CB 4.4Å; L690-E737 HydrophobicContact CD1-CB 3.91Å; L690-E737 HydrophobicContact CD2-CB 3.96Å; L690-V740 HydrophobicContact CB-CG1 4.19Å; L690-V740 HydrophobicContact CD2-CB 4.26Å; L690-V740 HydrophobicContact CD2-CG1 4.32Å; L690-Y741 HydrophobicContact CD2-CD2 4.22Å; L690-Y741 HydrophobicContact CD2-CE2 3.25Å
691	R	91.5	Very high	91.3	Very high	134 Å²	134	62.6 Å²	62.6	51%	0.506	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-45.3	175.1	-74	176.9	178	158.8	2	111.5	I687 E689 K694 Q695	I687-R691 HydrophobicContact CG2-CG 4.29Å; I687-R691 WeakPolarHBondContact O-CB 3.46Å; I687-R691 VanDerWaalsContact O-CG 3.29Å; I687-R691 WeakPolarHBondContact O-CG 3.22Å; I687-R691 PolarHBondContact O-N 2.97Å; E689-R691 PolarHBondContact O-N 3.34Å; R691-K694 PolarHBondContact O-N 3.39Å; R691-Q695 WeakPolarHBondContact O-CB 3.43Å; R691-Q695 VanDerWaalsContact O-CG 3.29Å; R691-Q695 WeakPolarHBondContact O-CG 3.46Å; R691-Q695 PolarHBondContact O-N 3.43Å
692	R	93.3	Very high	91.6	Very high	153 Å²	153	62.6 Å²	62.6	58%	0.577	30%	0.296	S	S	*	.	H	α-helix	trans	-62.9	-40.5	175.6	-75.8	-174.9	-70.8	-132	1.3	112.3	S688 E689 L690 Q695 A696	S688-R692 WeakPolarHBondContact O-CG 3.44Å; S688-R692 PolarHBondContact O-N 3.45Å; S688-R692 VanDerWaalsContact O-N 3.1Å; E689-R692 PolarHBondContact O-N 3.42Å; L690-R692 PolarHBondContact O-N 2.88Å; R692-Q695 WeakPolarHBondContact O-CB 3.38Å; R692-Q695 PolarHBondContact O-N 3.35Å; R692-A696 WeakPolarHBondContact O-CB 3.35Å; R692-A696 PolarHBondContact O-N 2.66Å
693	L	93.3	Very high	91.9	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.236	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-50.5	175.3	179.8	63.5	0	0	0	111.1	L679 A681 L684 E689 L690 Q695 A696 V697 C734	L679-L693 HydrophobicContact CD1-CD1 4.21Å; A681-L693 HydrophobicContact CB-CD2 4.37Å; L684-L693 HydrophobicContact CD1-CB 4.45Å; L684-L693 HydrophobicContact CD1-CD2 3.9Å; E689-L693 PolarHBondContact O-N 3.03Å; L690-L693 WeakPolarHBondContact O-CB 3.48Å; L690-L693 PolarHBondContact O-N 3.03Å; L693-Q695 VanDerWaalsContact C-N 3.31Å; L693-Q695 PolarHBondContact O-N 2.81Å; L693-A696 PolarHBondContact O-N 3.32Å; L693-V697 WeakPolarHBondContact O-CG2 3.49Å; L693-V697 PolarHBondContact O-N 2.82Å; L693-C734 HydrophobicContact CD2-CB 4.46Å
694	K	94.2	Very high	92.4	Very high	17 Å²	17	53.9 Å²	53.9	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-40.8	177.5	-69.3	-172.2	-179.2	-158.6	0	111.8	L690 R691 V697 C698 C717 I732 E737	L690-K694 HydrophobicContact CD1-CG 4.36Å; L690-K694 HydrophobicContact CG-CD 4.48Å; L690-K694 WeakPolarHBondContact O-CG 3.44Å; L690-K694 PolarHBondContact O-N 2.96Å; R691-K694 PolarHBondContact O-N 3.39Å; K694-V697 WeakPolarHBondContact O-CB 3.45Å; K694-V697 PolarHBondContact O-N 3Å; K694-C698 PolarHBondContact O-N 2.97Å; K694-C698 PolarHBondContact O-SG 3.24Å; K694-C698 VanDerWaalsContact O-SG 3.33Å; K694-C717 HydrophobicContact CB-CB 4.13Å; K694-C717 HydrophobicContact CD-CB 4.48Å; K694-I732 HydrophobicContact CB-CB 4.4Å; K694-I732 HydrophobicContact CB-CG2 4.47Å; K694-I732 HydrophobicContact CD-CB 4.43Å; K694-I732 VanDerWaalsContact CE-O 3.26Å; K694-I732 WeakPolarHBondContact CE-O 3.48Å; K694-I732 HydrophobicContact CG-CB 4.26Å; K694-I732 HydrophobicContact CG-CG2 4.09Å; K694-I732 PolarHBondContact NZ-O 2.81Å; K694-E737 WeakPolarHBondContact CE-OE2 3.43Å; K694-E737 IonicContact NZ-OE1 3.81Å; K694-E737 PolarHBondContact NZ-OE1 3.46Å; K694-E737 IonicContact NZ-OE2 3.76Å; K694-E737 PolarHBondContact NZ-OE2 2.84Å
695	Q	95.7	Very high	92.7	Very high	80 Å²	80	52.7 Å²	52.7	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-57.8	-47.9	172.5	-81.8	170.6	-10.6	0	0	112.8	R691 R692 L693 V697 C698 L699 G716	R691-Q695 WeakPolarHBondContact O-CB 3.43Å; R691-Q695 VanDerWaalsContact O-CG 3.29Å; R691-Q695 WeakPolarHBondContact O-CG 3.46Å; R691-Q695 PolarHBondContact O-N 3.43Å; R692-Q695 WeakPolarHBondContact O-CB 3.38Å; R692-Q695 PolarHBondContact O-N 3.35Å; L693-Q695 VanDerWaalsContact C-N 3.31Å; L693-Q695 PolarHBondContact O-N 2.81Å; Q695-V697 VanDerWaalsContact C-N 3.34Å; Q695-V697 PolarHBondContact O-N 3.3Å; Q695-C698 WeakPolarHBondContact O-CB 3.4Å; Q695-C698 PolarHBondContact O-N 3.38Å; Q695-L699 WeakPolarHBondContact O-CG 3.43Å; Q695-L699 PolarHBondContact O-N 2.56Å; Q695-G716 WeakPolarHBondContact CG-O 3.17Å; Q695-G716 PolarHBondContact NE2-O 3.41Å
696	A	94.9	Very high	93.2	Very high	44 Å²	44	49.2 Å²	49.2	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-42.4	178	0	0	0	0	0	111.7	R692 L693 C698 L699 I700	R692-A696 WeakPolarHBondContact O-CB 3.35Å; R692-A696 PolarHBondContact O-N 2.66Å; L693-A696 PolarHBondContact O-N 3.32Å; A696-C698 PolarHBondContact O-N 3.25Å; A696-L699 PolarHBondContact O-N 3.17Å; A696-I700 VanDerWaalsContact O-CG1 3.32Å; A696-I700 WeakPolarHBondContact O-CG1 3.34Å; A696-I700 PolarHBondContact O-N 3.16Å
697	V	95	Very high	93.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-48.5	173.2	168.6	0	0	0	0	111	F618 I677 L679 L693 K694 Q695 L699 I700 I701 I732	F618-V697 HydrophobicContact CE1-CB 4.43Å; F618-V697 HydrophobicContact CE1-CG1 4.35Å; F618-V697 HydrophobicContact CE1-CG2 3.98Å; F618-V697 HydrophobicContact CE2-CG1 4.03Å; F618-V697 HydrophobicContact CZ-CB 4.19Å; F618-V697 HydrophobicContact CZ-CG1 3.67Å; F618-V697 HydrophobicContact CZ-CG2 4.15Å; I677-V697 HydrophobicContact CD1-CB 4.24Å; I677-V697 HydrophobicContact CD1-CG1 3.74Å; I677-V697 HydrophobicContact CD1-CG2 3.53Å; L679-V697 HydrophobicContact CD1-CG2 3.66Å; L693-V697 WeakPolarHBondContact O-CG2 3.49Å; L693-V697 PolarHBondContact O-N 2.82Å; K694-V697 WeakPolarHBondContact O-CB 3.45Å; K694-V697 PolarHBondContact O-N 3Å; Q695-V697 VanDerWaalsContact C-N 3.34Å; Q695-V697 PolarHBondContact O-N 3.3Å; V697-L699 VanDerWaalsContact C-N 3.29Å; V697-L699 PolarHBondContact O-N 3.13Å; V697-I700 PolarHBondContact O-N 3.33Å; V697-I701 HydrophobicContact CG1-CD1 3.72Å; V697-I701 HydrophobicContact CG1-CG1 4.37Å; V697-I701 WeakPolarHBondContact O-CG1 3.39Å; V697-I701 PolarHBondContact O-N 3.13Å; V697-I732 HydrophobicContact CB-CG2 4.29Å; V697-I732 HydrophobicContact CG1-CD1 3.88Å; V697-I732 HydrophobicContact CG1-CG1 4.06Å; V697-I732 HydrophobicContact CG1-CG2 3.82Å
698	C	96.2	Very high	93.8	Very high	1 Å²	1	55 Å²	55	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-40.1	177.2	-73.1	0	0	0	0	112.2	K694 Q695 A696 S702 C717 D718 L719 I732	K694-C698 PolarHBondContact O-N 2.97Å; K694-C698 PolarHBondContact O-SG 3.24Å; K694-C698 VanDerWaalsContact O-SG 3.33Å; Q695-C698 WeakPolarHBondContact O-CB 3.4Å; Q695-C698 PolarHBondContact O-N 3.38Å; A696-C698 PolarHBondContact O-N 3.25Å; C698-S702 WeakPolarHBondContact O-CB 3.23Å; C698-S702 PolarHBondContact O-N 3.21Å; C698-C717 PolarHBondContact SG-O 3.26Å; C698-D718 VanDerWaalsContact SG-C 3.51Å; C698-L719 HydrophobicContact CB-CB 4.21Å; C698-I732 WeakPolarHBondContact SG-CG1 3.46Å
699	L	96.1	Very high	93.8	Very high	93 Å²	93	61.7 Å²	61.7	49%	0.487	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-45.8	176.7	-70	169.9	0	0	0	111.9	Q695 A696 V697 S702 D703 P714	Q695-L699 WeakPolarHBondContact O-CG 3.43Å; Q695-L699 PolarHBondContact O-N 2.56Å; A696-L699 PolarHBondContact O-N 3.17Å; V697-L699 VanDerWaalsContact C-N 3.29Å; V697-L699 PolarHBondContact O-N 3.13Å; L699-S702 WeakPolarHBondContact O-CB 3.1Å; L699-S702 PolarHBondContact O-N 3.2Å; L699-D703 PolarHBondContact O-N 3.44Å; L699-P714 HydrophobicContact CD2-CB 4.33Å; L699-P714 HydrophobicContact CD2-CG 3.82Å
700	I	95.3	Very high	93.8	Very high	62 Å²	62	58.8 Å²	58.8	32%	0.318	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-46.7	-179.8	-65.1	165.3	0	0	0	110.9	L616 P617 F618 A696 V697 S702 D703 G704	L616-I700 HydrophobicContact CD2-CG2 3.59Å; P617-I700 HydrophobicContact CG-CD1 3.93Å; F618-I700 HydrophobicContact CE1-CB 4.45Å; F618-I700 HydrophobicContact CE1-CD1 4.05Å; F618-I700 HydrophobicContact CE1-CG2 4.31Å; F618-I700 HydrophobicContact CZ-CB 4.44Å; F618-I700 HydrophobicContact CZ-CG2 4.31Å; A696-I700 VanDerWaalsContact O-CG1 3.32Å; A696-I700 WeakPolarHBondContact O-CG1 3.34Å; A696-I700 PolarHBondContact O-N 3.16Å; V697-I700 PolarHBondContact O-N 3.33Å; I700-S702 VanDerWaalsContact C-N 3.31Å; I700-S702 PolarHBondContact O-N 3.22Å; I700-D703 PolarHBondContact O-N 3.31Å; I700-G704 PolarHBondContact O-N 3.5Å
701	I	96.1	Very high	93.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-41.4	176.4	-65.3	174	0	0	0	110.2	L610 L613 L616 F618 I620 V697 D703 G704 L705 L719 L730 I732	L610-I701 HydrophobicContact CD2-CG2 3.91Å; L613-I701 HydrophobicContact CD1-CG2 4.07Å; L616-I701 HydrophobicContact CD2-CG1 4.43Å; F618-I701 HydrophobicContact CE2-CD1 4.15Å; F618-I701 HydrophobicContact CE2-CG1 4.13Å; F618-I701 HydrophobicContact CZ-CD1 4.36Å; F618-I701 HydrophobicContact CZ-CG1 4.05Å; I620-I701 HydrophobicContact CD1-CD1 4.4Å; V697-I701 HydrophobicContact CG1-CD1 3.72Å; V697-I701 HydrophobicContact CG1-CG1 4.37Å; V697-I701 WeakPolarHBondContact O-CG1 3.39Å; V697-I701 PolarHBondContact O-N 3.13Å; I701-D703 PolarHBondContact O-N 3.41Å; I701-G704 PolarHBondContact O-N 3.18Å; I701-L705 HydrophobicContact CG2-CD1 3.87Å; I701-L705 HydrophobicContact CG2-CG 4.19Å; I701-L705 WeakPolarHBondContact O-CB 3.39Å; I701-L705 WeakPolarHBondContact O-CG 3.26Å; I701-L705 PolarHBondContact O-N 3.12Å; I701-L719 HydrophobicContact CB-CD2 4.16Å; I701-L719 HydrophobicContact CG2-CD2 3.76Å; I701-L730 HydrophobicContact CD1-CD2 4.21Å; I701-L730 HydrophobicContact CG2-CD2 4.01Å; I701-I732 HydrophobicContact CD1-CD1 4.04Å
702	S	95.4	Very high	94	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.1	-47.1	176.6	-176.9	0	0	0	0	111.9	C698 L699 I700 L705 K706 T712	C698-S702 WeakPolarHBondContact O-CB 3.23Å; C698-S702 PolarHBondContact O-N 3.21Å; L699-S702 WeakPolarHBondContact O-CB 3.1Å; L699-S702 PolarHBondContact O-N 3.2Å; I700-S702 VanDerWaalsContact C-N 3.31Å; I700-S702 PolarHBondContact O-N 3.22Å; S702-L705 PolarHBondContact O-N 3.32Å; S702-K706 VanDerWaalsContact O-CG 3.27Å; S702-K706 WeakPolarHBondContact O-CG 3.44Å; S702-K706 PolarHBondContact O-N 2.87Å; S702-K706 WeakPolarHBondContact OG-CE 3.5Å; S702-T712 WeakPolarHBondContact OG-CB 3.46Å; S702-T712 PolarHBondContact OG-OG1 2.93Å
703	D	95.2	Very high	94	Very high	84 Å²	84	49.3 Å²	49.3	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-67.2	-38.3	179.6	-70.6	-15.3	0	0	0	112.1	L699 I700 I701 K706 K707	L699-D703 PolarHBondContact O-N 3.44Å; I700-D703 PolarHBondContact O-N 3.31Å; I701-D703 PolarHBondContact O-N 3.41Å; D703-K706 PolarHBondContact O-N 2.93Å; D703-K706 IonicContact OD1-NZ 3.04Å; D703-K706 PolarHBondContact OD1-NZ 3.1Å; D703-K707 WeakPolarHBondContact O-CG 3.22Å; D703-K707 PolarHBondContact O-N 3.05Å
704	G	94.7	Very high	94	Very high	12 Å²	12	50 Å²	50	12%	0.124	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-47.3	171.3	0	0	0	0	0	112.9	L613 I700 I701 K707 L708	L613-G704 VanDerWaalsContact CD2-C 3.49Å; I700-G704 PolarHBondContact O-N 3.5Å; I701-G704 PolarHBondContact O-N 3.18Å; G704-K707 WeakPolarHBondContact O-CB 3.19Å; G704-K707 PolarHBondContact O-N 3.04Å; G704-L708 PolarHBondContact O-N 2.98Å
705	L	95	Very high	93.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-33.7	179.5	-73.3	178.7	0	0	0	113.1	L606 K609 L610 L613 I701 S702 K707 L708 K709 C710 T712 L719 I721	L606-L705 HydrophobicContact CD1-CD2 4.22Å; K609-L705 HydrophobicContact CB-CD2 4.1Å; L610-L705 HydrophobicContact CD2-CD1 3.95Å; L610-L705 HydrophobicContact CD2-CD2 4.09Å; L610-L705 HydrophobicContact CD2-CG 4.33Å; L610-L705 HydrophobicContact CG-CD2 4.46Å; L613-L705 HydrophobicContact CD1-CD2 4.32Å; L613-L705 HydrophobicContact CD1-CG 4.29Å; I701-L705 HydrophobicContact CG2-CD1 3.87Å; I701-L705 HydrophobicContact CG2-CG 4.19Å; I701-L705 WeakPolarHBondContact O-CB 3.39Å; I701-L705 WeakPolarHBondContact O-CG 3.26Å; I701-L705 PolarHBondContact O-N 3.12Å; S702-L705 PolarHBondContact O-N 3.32Å; L705-K707 VanDerWaalsContact C-N 3.32Å; L705-K707 PolarHBondContact O-N 3.28Å; L705-L708 CarbonylContact O-C 3.5Å; L705-L708 VanDerWaalsContact O-C 3.31Å; L705-L708 WeakPolarHBondContact O-CA 3.48Å; L705-L708 PolarHBondContact O-N 3.28Å; L705-K709 PolarHBondContact O-N 3.01Å; L705-C710 HydrophobicContact CB-CB 3.97Å; L705-C710 WeakPolarHBondContact O-CB 3.39Å; L705-C710 PolarHBondContact O-N 3.48Å; L705-T712 HydrophobicContact CB-CG2 3.87Å; L705-T712 HydrophobicContact CD1-CG2 4.1Å; L705-L719 HydrophobicContact CD1-CD2 4.24Å; L705-I721 HydrophobicContact CD1-CD1 3.61Å; L705-I721 HydrophobicContact CD1-CG1 4.04Å; L705-I721 HydrophobicContact CD1-CG2 4.49Å
706	K	93	Very high	93.2	Very high	106 Å²	106	53.6 Å²	53.6	46%	0.461	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-38.6	173	-75.3	169.9	-169.2	162.5	0	112	S702 D703 L708 K709 T712	S702-K706 VanDerWaalsContact O-CG 3.27Å; S702-K706 WeakPolarHBondContact O-CG 3.44Å; S702-K706 PolarHBondContact O-N 2.87Å; S702-K706 WeakPolarHBondContact OG-CE 3.5Å; D703-K706 PolarHBondContact O-N 2.93Å; D703-K706 IonicContact OD1-NZ 3.04Å; D703-K706 PolarHBondContact OD1-NZ 3.1Å; K706-L708 PolarHBondContact O-N 3.37Å; K706-K709 PolarHBondContact O-N 3.16Å; K706-T712 WeakPolarHBondContact CE-OG1 3.49Å
707	K	92.9	Very high	93	Very high	143 Å²	143	53 Å²	53	62%	0.622	28%	0.275	S	S	*	.	H	α-helix	trans	-59.9	-31.3	172.3	-66	171.3	-179.9	176.4	0	111.6	E615 D703 G704 L705 K709	E615-K707 IonicContact OE2-NZ 3.18Å; E615-K707 PolarHBondContact OE2-NZ 3.18Å; D703-K707 WeakPolarHBondContact O-CG 3.22Å; D703-K707 PolarHBondContact O-N 3.05Å; G704-K707 WeakPolarHBondContact O-CB 3.19Å; G704-K707 PolarHBondContact O-N 3.04Å; L705-K707 VanDerWaalsContact C-N 3.32Å; L705-K707 PolarHBondContact O-N 3.28Å; K707-K709 VanDerWaalsContact C-N 3.27Å; K707-K709 PolarHBondContact O-N 3.16Å
708	L	92	Very high	92.9	Very high	63 Å²	63	54.2 Å²	54.2	33%	0.33	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	18.3	174.8	-58.3	178.9	0	0	0	113.7	K609 L612 L613 G704 L705 K706 C710	K609-L708 HydrophobicContact CB-CD1 3.82Å; K609-L708 HydrophobicContact CD-CB 4.27Å; K609-L708 HydrophobicContact CG-CD1 4.28Å; K609-L708 WeakPolarHBondContact O-CD1 3.31Å; L612-L708 HydrophobicContact CB-CD1 4.49Å; L613-L708 HydrophobicContact CD2-CD1 3.84Å; G704-L708 PolarHBondContact O-N 2.98Å; L705-L708 CarbonylContact O-C 3.5Å; L705-L708 VanDerWaalsContact O-C 3.31Å; L705-L708 WeakPolarHBondContact O-CA 3.48Å; L705-L708 PolarHBondContact O-N 3.28Å; K706-L708 PolarHBondContact O-N 3.37Å; L708-C710 PolarHBondContact O-N 3.19Å
709	K	89.3	Confident	92.9	Very high	189 Å²	189	54.1 Å²	54.1	82%	0.822	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	23.2	177.1	-54.2	-179.6	179.6	178.9	0	114.8	L705 K706 K707	L705-K709 PolarHBondContact O-N 3.01Å; K706-K709 PolarHBondContact O-N 3.16Å; K707-K709 VanDerWaalsContact C-N 3.27Å; K707-K709 PolarHBondContact O-N 3.16Å
710	C	90.5	Very high	92.9	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.041	26%	0.261	C	S	.	.			trans	-80.7	146.2	168.6	-57.9	0	0	0	0	110.4	K609 L705 L708 T712 I721 E723	K609-C710 WeakPolarHBondContact CD-SG 2.91Å; K609-C710 PolarHBondContact NZ-SG 3.44Å; K609-C710 VanDerWaalsContact NZ-SG 3.36Å; L705-C710 HydrophobicContact CB-CB 3.97Å; L705-C710 WeakPolarHBondContact O-CB 3.39Å; L705-C710 PolarHBondContact O-N 3.48Å; L708-C710 PolarHBondContact O-N 3.19Å; C710-T712 HydrophobicContact CB-CG2 4.24Å; C710-I721 HydrophobicContact CB-CG2 4.34Å; C710-E723 PolarHBondContact SG-OE2 3.31Å; C710-E723 VanDerWaalsContact SG-OE2 3.4Å
711	V	91.8	Very high	92.9	Very high	34 Å²	34	47.3 Å²	47.3	21%	0.206	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.9	169.8	173.3	0	0	0	0	109.2	I721 L722 L961	V711-I721 CarbonylContact O-C 3.51Å; V711-I721 WeakPolarHBondContact O-CA 3.47Å; V711-L722 HydrophobicContact CB-CB 4.09Å; V711-L722 HydrophobicContact CB-CD2 4.4Å; V711-L722 HydrophobicContact CG1-CB 4.26Å; V711-L722 HydrophobicContact CG1-CD2 4.31Å; V711-L722 PolarHBondContact O-N 3.36Å; V711-L961 HydrophobicContact CG2-CB 3.6Å; V711-L961 HydrophobicContact CG2-CD2 4.16Å; V711-L961 HydrophobicContact CG2-CG 4.35Å
712	T	94.4	Very high	92.7	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.6	-174.7	60.2	0	0	0	0	112.2	S702 L705 K706 C710 L720 I721	S702-T712 WeakPolarHBondContact OG-CB 3.46Å; S702-T712 PolarHBondContact OG-OG1 2.93Å; L705-T712 HydrophobicContact CB-CG2 3.87Å; L705-T712 HydrophobicContact CD1-CG2 4.1Å; K706-T712 WeakPolarHBondContact CE-OG1 3.49Å; C710-T712 HydrophobicContact CB-CG2 4.24Å; T712-L720 CarbonylContact C-O 3.42Å; T712-L720 WeakPolarHBondContact CA-O 3.32Å; T712-I721 HydrophobicContact CG2-CG1 4.18Å; T712-I721 HydrophobicContact CG2-CG2 4.3Å
713	K	93.7	Very high	92.5	Very high	47 Å²	47	49.2 Å²	49.2	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	110.2	172.9	-63.7	-70.6	174.3	173	0	109.6	F652 D653 F715 L720 M963	F652-K713 PolarHBondContact O-NZ 3.15Å; D653-K713 IonicContact OD2-NZ 3.67Å; D653-K713 PolarHBondContact OD2-NZ 3.2Å; K713-F715 PolarHBondContact O-N 3.23Å; K713-L720 HydrophobicContact CB-CB 4.47Å; K713-L720 PolarHBondContact N-O 2.95Å; K713-L720 WeakPolarHBondContact O-CB 3.19Å; K713-L720 PolarHBondContact O-N 2.92Å; K713-M963 HydrophobicContact CB-CE 3.9Å; K713-M963 HydrophobicContact CG-CB 3.93Å; K713-M963 HydrophobicContact CG-CE 3.74Å; K713-M963 HydrophobicContact CG-CG 4.18Å
714	P	92.4	Very high	92.1	Very high	59 Å²	59	47.3 Å²	47.3	38%	0.383	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.7	170	-20.6	31.7	0	0	0	110.2	L699 L719	L699-P714 HydrophobicContact CD2-CB 4.33Å; L699-P714 HydrophobicContact CD2-CG 3.82Å; P714-L719 HydrophobicContact CB-CD1 4.43Å; P714-L719 HydrophobicContact CG-CD1 4.08Å
715	F	86.7	Confident	91.7	Very high	122 Å²	122	47.7 Å²	47.7	54%	0.535	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	103.8	-177.9	-176.2	-97.4	0	0	0	110.1	K713 C717 D718 L720	K713-F715 PolarHBondContact O-N 3.23Å; F715-C717 PolarHBondContact O-N 3.16Å; F715-D718 PolarHBondContact N-O 3.06Å; F715-D718 PolarHBondContact O-N 3.49Å; F715-L720 HydrophobicContact CB-CD1 3.91Å; F715-L720 HydrophobicContact CB-CG 4.11Å; F715-L720 HydrophobicContact CG-CD1 4.32Å
716	G	86.8	Confident	91.5	Very high	52 Å²	52	49.2 Å²	49.2	54%	0.536	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	-118	-176.5	0	0	0	0	0	111.4	Q695	Q695-G716 WeakPolarHBondContact CG-O 3.17Å; Q695-G716 PolarHBondContact NE2-O 3.41Å
717	C	89.6	Confident	91.5	Very high	30 Å²	30	44.6 Å²	44.6	20%	0.203	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.9	176	-62.7	0	0	0	0	113.3	K694 C698 F715	K694-C717 HydrophobicContact CB-CB 4.13Å; K694-C717 HydrophobicContact CD-CB 4.48Å; C698-C717 PolarHBondContact SG-O 3.26Å; F715-C717 PolarHBondContact O-N 3.16Å
718	D	93	Very high	91.7	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.15	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	166.9	-173.4	-44.6	-31.5	0	0	0	110	C698 F715 R729 L730 L731	C698-D718 VanDerWaalsContact SG-C 3.51Å; F715-D718 PolarHBondContact N-O 3.06Å; F715-D718 PolarHBondContact O-N 3.49Å; D718-R729 HydrophobicContact CB-CG 4.22Å; D718-R729 IonicContact OD2-CZ 2.76Å; D718-R729 VanDerWaalsContact OD2-CZ 3.23Å; D718-R729 IonicContact OD2-NE 2.85Å; D718-R729 PolarHBondContact OD2-NE 3.2Å; D718-R729 IonicContact OD2-NH2 2.94Å; D718-R729 PolarHBondContact OD2-NH2 3.06Å; D718-L730 WeakPolarHBondContact CA-O 3.09Å; D718-L731 HydrophobicContact CB-CD2 4.13Å; D718-L731 VanDerWaalsContact CG-CD2 3.47Å; D718-L731 WeakPolarHBondContact OD1-CD2 3.48Å
719	L	96.6	Very high	91.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.1	176.1	178.9	67	0	0	0	110.8	C698 I701 L705 P714 I721 L730	C698-L719 HydrophobicContact CB-CB 4.21Å; I701-L719 HydrophobicContact CB-CD2 4.16Å; I701-L719 HydrophobicContact CG2-CD2 3.76Å; L705-L719 HydrophobicContact CD1-CD2 4.24Å; P714-L719 HydrophobicContact CB-CD1 4.43Å; P714-L719 HydrophobicContact CG-CD1 4.08Å; L719-I721 HydrophobicContact CD2-CD1 4.3Å; L719-I721 HydrophobicContact CD2-CG1 4.18Å; L719-I721 HydrophobicContact CG-CG1 4.05Å; L719-L730 HydrophobicContact CB-CB 4.18Å; L719-L730 HydrophobicContact CD2-CD2 4.23Å; L719-L730 PolarHBondContact N-O 3.44Å; L719-L730 PolarHBondContact O-N 3.49Å
720	L	95.5	Very high	92.3	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.063	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133	172.6	-57.5	170.3	0	0	0	109.6	T712 K713 F715 V727 F728 R729 M963 I966	T712-L720 CarbonylContact C-O 3.42Å; T712-L720 WeakPolarHBondContact CA-O 3.32Å; K713-L720 HydrophobicContact CB-CB 4.47Å; K713-L720 PolarHBondContact N-O 2.95Å; K713-L720 WeakPolarHBondContact O-CB 3.19Å; K713-L720 PolarHBondContact O-N 2.92Å; F715-L720 HydrophobicContact CB-CD1 3.91Å; F715-L720 HydrophobicContact CB-CG 4.11Å; F715-L720 HydrophobicContact CG-CD1 4.32Å; L720-V727 HydrophobicContact CB-CG1 4.36Å; L720-V727 HydrophobicContact CD2-CG1 4.32Å; L720-F728 CarbonylContact C-O 3.31Å; L720-F728 WeakPolarHBondContact CA-O 3.44Å; L720-R729 HydrophobicContact CD2-CB 4.02Å; L720-R729 HydrophobicContact CD2-CG 4.01Å; L720-M963 HydrophobicContact CB-CE 3.7Å; L720-M963 HydrophobicContact CB-SD 4.12Å; L720-I966 HydrophobicContact CD1-CD1 3.4Å; L720-I966 HydrophobicContact CD1-CG1 4.49Å; L720-I966 HydrophobicContact CD2-CD1 3.43Å; L720-I966 VanDerWaalsContact CD2-CD1 3.43Å; L720-I966 HydrophobicContact CG-CD1 3.95Å
721	I	95.4	Very high	92.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.8	-177.1	-52.4	165.7	0	0	0	108.6	L606 L705 C710 V711 T712 L719 V727 F728 L730	L606-I721 HydrophobicContact CD1-CD1 4.36Å; L606-I721 HydrophobicContact CD1-CG2 3.79Å; L606-I721 HydrophobicContact CD2-CB 4.26Å; L606-I721 HydrophobicContact CD2-CD1 4.09Å; L606-I721 HydrophobicContact CD2-CG2 3.89Å; L705-I721 HydrophobicContact CD1-CD1 3.61Å; L705-I721 HydrophobicContact CD1-CG1 4.04Å; L705-I721 HydrophobicContact CD1-CG2 4.49Å; C710-I721 HydrophobicContact CB-CG2 4.34Å; V711-I721 CarbonylContact O-C 3.51Å; V711-I721 WeakPolarHBondContact O-CA 3.47Å; T712-I721 HydrophobicContact CG2-CG1 4.18Å; T712-I721 HydrophobicContact CG2-CG2 4.3Å; L719-I721 HydrophobicContact CD2-CD1 4.3Å; L719-I721 HydrophobicContact CD2-CG1 4.18Å; L719-I721 HydrophobicContact CG-CG1 4.05Å; I721-V727 CarbonylContact O-C 3.51Å; I721-V727 WeakPolarHBondContact O-CA 3.35Å; I721-F728 HydrophobicContact CB-CB 4.44Å; I721-F728 PolarHBondContact N-O 3.39Å; I721-F728 PolarHBondContact O-N 3Å; I721-L730 HydrophobicContact CD1-CB 4.08Å; I721-L730 HydrophobicContact CD1-CD2 4.31Å
722	L	92.5	Very high	92.6	Very high	9 Å²	9	27 Å²	27	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.2	174.5	174	69.1	0	0	0	109.6	V711 Y726 V727 L961 A962 M963 P964	V711-L722 HydrophobicContact CB-CB 4.09Å; V711-L722 HydrophobicContact CB-CD2 4.4Å; V711-L722 HydrophobicContact CG1-CB 4.26Å; V711-L722 HydrophobicContact CG1-CD2 4.31Å; V711-L722 PolarHBondContact O-N 3.36Å; L722-Y726 WeakPolarHBondContact CA-O 3.25Å; L722-V727 HydrophobicContact CB-CG2 4.43Å; L722-V727 HydrophobicContact CD1-CG2 3.83Å; L722-L961 HydrophobicContact CD2-CB 4.13Å; L722-L961 HydrophobicContact CD2-CD2 4.14Å; L722-L961 HydrophobicContact CG-CD2 4.36Å; L722-A962 WeakPolarHBondContact CD2-O 3.23Å; L722-M963 HydrophobicContact CB-CE 4.14Å; L722-M963 HydrophobicContact CB-SD 4.19Å; L722-P964 HydrophobicContact CD1-CG 4.37Å
723	E	90.9	Very high	92.5	Very high	30 Å²	30	30.5 Å²	30.5	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	134	179.3	-174.2	75.8	-159.6	0	0	109.1	T602 H605 K609 C710 G725 Y726 F728	T602-E723 HydrophobicContact CG2-CB 3.98Å; T602-E723 HydrophobicContact CG2-CG 3.64Å; T602-E723 VanDerWaalsContact CG2-O 3.31Å; T602-E723 WeakPolarHBondContact CG2-O 3.13Å; H605-E723 IonicContact CD2-OE1 2.72Å; K609-E723 IonicContact NZ-OE1 3.1Å; K609-E723 PolarHBondContact NZ-OE1 3.43Å; K609-E723 IonicContact NZ-OE2 3.09Å; K609-E723 PolarHBondContact NZ-OE2 2.98Å; C710-E723 PolarHBondContact SG-OE2 3.31Å; C710-E723 VanDerWaalsContact SG-OE2 3.4Å; E723-G725 PolarHBondContact O-N 3.42Å; E723-Y726 PolarHBondContact N-O 2.87Å; E723-Y726 PolarHBondContact O-N 3.31Å; E723-Y726 VanDerWaalsContact O-O 3.13Å; E723-F728 HydrophobicContact CB-CE2 4.37Å
724	G	86.4	Confident	92.4	Very high	44 Å²	44	28.3 Å²	28.3	45%	0.454	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	20.1	178.8	0	0	0	0	0	115	Y726	G724-Y726 VanDerWaalsContact C-N 3.3Å; G724-Y726 WeakPolarHBondContact O-CD2 3.23Å
725	G	86.7	Confident	92.3	Very high	21 Å²	21	27.4 Å²	27.4	22%	0.216	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-1.4	-172.6	0	0	0	0	0	114.8	A640 S641 E723	A640-G725 CarbonylContact C-O 3.52Å; A640-G725 WeakPolarHBondContact CA-O 3.21Å; S641-G725 PolarHBondContact N-O 2.69Å; E723-G725 PolarHBondContact O-N 3.42Å
726	Y	91.3	Very high	92.3	Very high	32 Å²	32	22.2 Å²	22.2	13%	0.125	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146	175.3	-60.2	-77	0	0	0	110.9	F599 T602 P638 A640 L722 E723 G724	F599-Y726 HydrophobicContact CB-CD1 3.61Å; F599-Y726 HydrophobicContact CB-CD2 3.86Å; F599-Y726 HydrophobicContact CB-CE1 3.57Å; F599-Y726 HydrophobicContact CB-CE2 3.81Å; F599-Y726 HydrophobicContact CB-CG 3.74Å; T602-Y726 HydrophobicContact CG2-CD2 4.21Å; P638-Y726 HydrophobicContact CB-CD1 4.31Å; P638-Y726 HydrophobicContact CB-CE1 4.24Å; A640-Y726 HydrophobicContact CB-CE1 4.08Å; A640-Y726 HydrophobicContact CB-CE2 4.22Å; A640-Y726 VanDerWaalsContact N-CE1 3.34Å; L722-Y726 WeakPolarHBondContact CA-O 3.25Å; E723-Y726 PolarHBondContact N-O 2.87Å; E723-Y726 PolarHBondContact O-N 3.31Å; E723-Y726 VanDerWaalsContact O-O 3.13Å; G724-Y726 VanDerWaalsContact C-N 3.3Å; G724-Y726 WeakPolarHBondContact O-CD2 3.23Å
727	V	93.3	Very high	92.4	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.048	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.9	175.4	-178.9	0	0	0	0	109.9	S670 L671 L720 I721 L722 M963 P964 I966	S670-V727 WeakPolarHBondContact CA-O 3.46Å; L671-V727 PolarHBondContact N-O 3.07Å; L720-V727 HydrophobicContact CB-CG1 4.36Å; L720-V727 HydrophobicContact CD2-CG1 4.32Å; I721-V727 CarbonylContact O-C 3.51Å; I721-V727 WeakPolarHBondContact O-CA 3.35Å; L722-V727 HydrophobicContact CB-CG2 4.43Å; L722-V727 HydrophobicContact CD1-CG2 3.83Å; V727-M963 HydrophobicContact CG1-SD 4.02Å; V727-M963 HydrophobicContact CG2-SD 3.98Å; V727-P964 HydrophobicContact CG2-CG 3.58Å; V727-I966 HydrophobicContact CB-CG2 3.99Å; V727-I966 HydrophobicContact CG1-CD1 3.97Å; V727-I966 HydrophobicContact CG1-CG2 4.11Å; V727-I966 HydrophobicContact CG2-CG2 3.74Å
728	F	96.5	Very high	92.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.7	173.2	-57.7	-82.4	0	0	0	109.4	T602 F603 L606 F630 L671 L720 I721 E723	T602-F728 HydrophobicContact CG2-CE2 4.05Å; T602-F728 HydrophobicContact CG2-CZ 4.34Å; F603-F728 HydrophobicContact CB-CD1 4.48Å; F603-F728 HydrophobicContact CB-CE1 3.64Å; F603-F728 HydrophobicContact CB-CZ 3.78Å; F603-F728 AromaticContact CD2-CD1 3.57Å; F603-F728 HydrophobicContact CD2-CD1 3.57Å; F603-F728 AromaticContact CD2-CE1 3.59Å; F603-F728 HydrophobicContact CD2-CE1 3.59Å; F603-F728 HydrophobicContact CD2-CG 4.2Å; F603-F728 HydrophobicContact CD2-CZ 4.22Å; F603-F728 HydrophobicContact CE2-CD1 4.34Å; F603-F728 HydrophobicContact CG-CD1 4.43Å; F603-F728 HydrophobicContact CG-CE1 4.02Å; L606-F728 HydrophobicContact CD2-CB 3.94Å; L606-F728 HydrophobicContact CD2-CD2 3.54Å; L606-F728 HydrophobicContact CD2-CE2 4.24Å; L606-F728 HydrophobicContact CD2-CG 3.8Å; F630-F728 HydrophobicContact CZ-CD1 4.22Å; F630-F728 HydrophobicContact CZ-CE1 4.05Å; L671-F728 HydrophobicContact CB-CD1 3.7Å; L671-F728 HydrophobicContact CB-CE1 4.07Å; L671-F728 HydrophobicContact CD1-CD1 4.1Å; L671-F728 HydrophobicContact CD1-CE1 3.61Å; L671-F728 HydrophobicContact CD1-CZ 4.28Å; L671-F728 HydrophobicContact CG-CE1 4.49Å; L671-F728 CarbonylContact O-C 3.52Å; L671-F728 VanDerWaalsContact O-CA 3.29Å; L671-F728 WeakPolarHBondContact O-CA 3.26Å; L720-F728 CarbonylContact C-O 3.31Å; L720-F728 WeakPolarHBondContact CA-O 3.44Å; I721-F728 HydrophobicContact CB-CB 4.44Å; I721-F728 PolarHBondContact N-O 3.39Å; I721-F728 PolarHBondContact O-N 3Å; E723-F728 HydrophobicContact CB-CE2 4.37Å
729	R	96.5	Very high	91.5	Very high	50 Å²	50	21.9 Å²	21.9	19%	0.189	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	103.9	175.2	-178.2	175.9	-167.8	169.3	1.7	108.9	L671 E672 V673 D718 L720 L731 D967	L671-R729 PolarHBondContact O-N 2.93Å; E672-R729 WeakPolarHBondContact CA-O 3.48Å; E672-R729 HydrophobicContact CG-CB 4.28Å; V673-R729 PolarHBondContact N-O 3.24Å; D718-R729 HydrophobicContact CB-CG 4.22Å; D718-R729 IonicContact OD2-CZ 2.76Å; D718-R729 VanDerWaalsContact OD2-CZ 3.23Å; D718-R729 IonicContact OD2-NE 2.85Å; D718-R729 PolarHBondContact OD2-NE 3.2Å; D718-R729 IonicContact OD2-NH2 2.94Å; D718-R729 PolarHBondContact OD2-NH2 3.06Å; L720-R729 HydrophobicContact CD2-CB 4.02Å; L720-R729 HydrophobicContact CD2-CG 4.01Å; R729-L731 HydrophobicContact CG-CD2 4.09Å; R729-L731 PolarHBondContact O-N 2.99Å; R729-D967 IonicContact NH1-OD2 2.75Å
730	L	97	Very high	90.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.7	177.9	-171.1	72.8	0	0	0	109.6	L610 V623 V673 A675 I701 D718 L719 I721 I732	L610-L730 HydrophobicContact CD1-CD1 4.41Å; L610-L730 HydrophobicContact CD2-CD2 4.3Å; V623-L730 HydrophobicContact CG1-CD1 4.46Å; V673-L730 HydrophobicContact CG2-CB 4.38Å; V673-L730 HydrophobicContact CG2-CD1 3.69Å; V673-L730 CarbonylContact O-C 3.51Å; V673-L730 WeakPolarHBondContact O-CA 3.35Å; A675-L730 HydrophobicContact CB-CD1 3.72Å; A675-L730 HydrophobicContact CB-CD2 4.44Å; A675-L730 HydrophobicContact CB-CG 4.16Å; I701-L730 HydrophobicContact CD1-CD2 4.21Å; I701-L730 HydrophobicContact CG2-CD2 4.01Å; D718-L730 WeakPolarHBondContact CA-O 3.09Å; L719-L730 HydrophobicContact CB-CB 4.18Å; L719-L730 HydrophobicContact CD2-CD2 4.23Å; L719-L730 PolarHBondContact N-O 3.44Å; L719-L730 PolarHBondContact O-N 3.49Å; I721-L730 HydrophobicContact CD1-CB 4.08Å; I721-L730 HydrophobicContact CD1-CD2 4.31Å; L730-I732 HydrophobicContact CD2-CD1 4.19Å; L730-I732 HydrophobicContact CG-CD1 4.22Å
731	L	94.9	Very high	90.1	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.058	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	144.4	170.1	-53.8	-177.8	0	0	0	109.2	L626 V673 L674 A675 D718 R729	L626-L731 HydrophobicContact CD1-CD1 3.8Å; V673-L731 PolarHBondContact O-N 3.1Å; L674-L731 WeakPolarHBondContact CA-O 3.42Å; L674-L731 HydrophobicContact CD1-CB 3.57Å; A675-L731 PolarHBondContact N-O 3.46Å; D718-L731 HydrophobicContact CB-CD2 4.13Å; D718-L731 VanDerWaalsContact CG-CD2 3.47Å; D718-L731 WeakPolarHBondContact OD1-CD2 3.48Å; R729-L731 HydrophobicContact CG-CD2 4.09Å; R729-L731 PolarHBondContact O-N 2.99Å
732	I	93.7	Very high	89	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.7	-179.3	-56.5	-56.2	0	0	0	110.9	A675 I677 K694 V697 C698 I701 L730	A675-I732 HydrophobicContact CB-CD1 4.23Å; I677-I732 HydrophobicContact CD1-CG2 3.95Å; K694-I732 HydrophobicContact CB-CB 4.4Å; K694-I732 HydrophobicContact CB-CG2 4.47Å; K694-I732 HydrophobicContact CD-CB 4.43Å; K694-I732 VanDerWaalsContact CE-O 3.26Å; K694-I732 WeakPolarHBondContact CE-O 3.48Å; K694-I732 HydrophobicContact CG-CB 4.26Å; K694-I732 HydrophobicContact CG-CG2 4.09Å; K694-I732 PolarHBondContact NZ-O 2.81Å; V697-I732 HydrophobicContact CB-CG2 4.29Å; V697-I732 HydrophobicContact CG1-CD1 3.88Å; V697-I732 HydrophobicContact CG1-CG1 4.06Å; V697-I732 HydrophobicContact CG1-CG2 3.82Å; C698-I732 WeakPolarHBondContact SG-CG1 3.46Å; I701-I732 HydrophobicContact CD1-CD1 4.04Å; L730-I732 HydrophobicContact CD2-CD1 4.19Å; L730-I732 HydrophobicContact CG-CD1 4.22Å
733	R	92.2	Very high	88.1	Confident	81 Å²	81	32.9 Å²	32.9	31%	0.306	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.7	167.5	177.9	174.7	176.9	-124.9	3.1	110.6	L674 A675 S676 I677 E737 E738	L674-R733 HydrophobicContact CD1-CB 4Å; L674-R733 HydrophobicContact CD2-CB 4.29Å; L674-R733 HydrophobicContact CG-CB 4.26Å; A675-R733 PolarHBondContact O-N 2.88Å; S676-R733 WeakPolarHBondContact CA-O 3.29Å; I677-R733 PolarHBondContact N-O 2.71Å; R733-E737 HydrophobicContact CG-CG 4.44Å; R733-E738 IonicContact CZ-OE1 3.94Å; R733-E738 IonicContact NE-OE1 2.66Å; R733-E738 PolarHBondContact NE-OE1 3.38Å; R733-E738 IonicContact NH2-OE1 2.9Å; R733-E738 PolarHBondContact NH2-OE1 2.93Å
734	C	92.1	Very high	87	Confident	1 Å²	1	33 Å²	33	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	146.7	172.7	-60.3	0	0	0	0	110.3	L679 A681 L690 L693 G736 E737	L679-C734 CarbonylContact O-C 3.57Å; L679-C734 WeakPolarHBondContact O-CB 3.36Å; A681-C734 HydrophobicContact CB-CB 3.87Å; L690-C734 HydrophobicContact CD1-CB 4.4Å; L693-C734 HydrophobicContact CD2-CB 4.46Å; C734-G736 PolarHBondContact O-N 3.07Å; C734-E737 HydrophobicContact CB-CB 4.28Å; C734-E737 PolarHBondContact N-OE2 3Å; C734-E737 WeakPolarHBondContact O-CB 3.39Å; C734-E737 WeakPolarHBondContact O-CG 3.46Å; C734-E737 PolarHBondContact O-N 3.26Å
735	A	90.1	Very high	85.9	Confident	39 Å²	39	36.3 Å²	36.3	32%	0.322	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	126.5	177.3	0	0	0	0	0	111	I677 L679 N680 A681 E737	I677-A735 PolarHBondContact O-N 3.48Å; L679-A735 PolarHBondContact O-N 3.37Å; N680-A735 CarbonylContact C-O 3.59Å; N680-A735 VanDerWaalsContact CA-O 3.31Å; N680-A735 WeakPolarHBondContact CA-O 3.4Å; A681-A735 PolarHBondContact N-O 3.42Å; A735-E737 VanDerWaalsContact C-N 3.28Å; A735-E737 PolarHBondContact O-N 2.83Å
736	G	87.8	Confident	84.5	Confident	13 Å²	13	41.3 Å²	41.3	13%	0.134	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	13.8	177.3	0	0	0	0	0	115.1	C734 E738 S739	C734-G736 PolarHBondContact O-N 3.07Å; G736-E738 VanDerWaalsContact C-OE2 3.25Å; G736-E738 WeakPolarHBondContact CA-OE2 3.37Å; G736-E738 PolarHBondContact N-OE2 2.96Å; G736-E738 PolarHBondContact O-N 2.88Å; G736-S739 PolarHBondContact O-N 3.36Å; G736-S739 PolarHBondContact O-OG 3.22Å
737	E	88.2	Confident	82.6	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.037	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21	175.4	71	-179.5	-149.1	0	0	113.3	A681 L690 K694 R733 C734 A735 S739 V740 Y741	A681-E737 HydrophobicContact CB-CB 4.03Å; L690-E737 HydrophobicContact CD1-CB 3.91Å; L690-E737 HydrophobicContact CD2-CB 3.96Å; K694-E737 WeakPolarHBondContact CE-OE2 3.43Å; K694-E737 IonicContact NZ-OE1 3.81Å; K694-E737 PolarHBondContact NZ-OE1 3.46Å; K694-E737 IonicContact NZ-OE2 3.76Å; K694-E737 PolarHBondContact NZ-OE2 2.84Å; R733-E737 HydrophobicContact CG-CG 4.44Å; C734-E737 HydrophobicContact CB-CB 4.28Å; C734-E737 PolarHBondContact N-OE2 3Å; C734-E737 WeakPolarHBondContact O-CB 3.39Å; C734-E737 WeakPolarHBondContact O-CG 3.46Å; C734-E737 PolarHBondContact O-N 3.26Å; A735-E737 VanDerWaalsContact C-N 3.28Å; A735-E737 PolarHBondContact O-N 2.83Å; E737-S739 PolarHBondContact O-N 2.95Å; E737-V740 WeakPolarHBondContact O-CB 3.44Å; E737-V740 PolarHBondContact O-N 3.43Å; E737-Y741 VanDerWaalsContact O-CD2 3.25Å; E737-Y741 WeakPolarHBondContact O-CD2 3.36Å
738	E	82.6	Confident	80.5	Confident	53 Å²	53	43.6 Å²	43.6	25%	0.248	26%	0.255	C	S	.	.	H	α-helix	trans	-54.2	-40.4	178.4	-60.1	81.4	-176.4	0	0	111.9	R733 G736 V740 Y741 E742 V752	R733-E738 IonicContact CZ-OE1 3.94Å; R733-E738 IonicContact NE-OE1 2.66Å; R733-E738 PolarHBondContact NE-OE1 3.38Å; R733-E738 IonicContact NH2-OE1 2.9Å; R733-E738 PolarHBondContact NH2-OE1 2.93Å; G736-E738 VanDerWaalsContact C-OE2 3.25Å; G736-E738 WeakPolarHBondContact CA-OE2 3.37Å; G736-E738 PolarHBondContact N-OE2 2.96Å; G736-E738 PolarHBondContact O-N 2.88Å; E738-V740 PolarHBondContact O-N 3.04Å; E738-Y741 PolarHBondContact O-N 2.93Å; E738-E742 WeakPolarHBondContact O-CG 3.43Å; E738-E742 PolarHBondContact O-N 3.3Å; E738-V752 HydrophobicContact CG-CG1 3.94Å
739	S	82.4	Confident	78.3	Confident	42 Å²	42	48.3 Å²	48.3	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-28.3	177.9	61.2	0	0	0	0	113.9	K682 G736 E737 Y741	K682-S739 WeakPolarHBondContact CA-OG 3.34Å; G736-S739 PolarHBondContact O-N 3.36Å; G736-S739 PolarHBondContact O-OG 3.22Å; E737-S739 PolarHBondContact O-N 2.95Å; S739-Y741 VanDerWaalsContact C-N 3.34Å
740	V	82.7	Confident	76	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-76.2	-25.8	177.5	-172	0	0	0	0	111.2	L684 I687 L690 E737 E738 S743	L684-V740 HydrophobicContact CB-CG2 3.96Å; I687-V740 HydrophobicContact CG1-CG1 4.49Å; L690-V740 HydrophobicContact CB-CG1 4.19Å; L690-V740 HydrophobicContact CD2-CB 4.26Å; L690-V740 HydrophobicContact CD2-CG1 4.32Å; E737-V740 WeakPolarHBondContact O-CB 3.44Å; E737-V740 PolarHBondContact O-N 3.43Å; E738-V740 PolarHBondContact O-N 3.04Å; V740-S743 PolarHBondContact O-OG 2.64Å
741	Y	78.7	Confident	73.8	Confident	32 Å²	32	53.6 Å²	53.6	13%	0.125	31%	0.31	C	S	.	.	H	α-helix	trans	-86.9	-31.2	176.5	-67.8	-90.8	0	0	0	112.5	I687 L690 E737 E738 S739 S743 L744 V752	I687-Y741 HydrophobicContact CD1-CD1 4.02Å; I687-Y741 HydrophobicContact CD1-CE1 3.84Å; I687-Y741 HydrophobicContact CG1-CD1 4.44Å; I687-Y741 HydrophobicContact CG1-CE1 4.18Å; L690-Y741 HydrophobicContact CD2-CD2 4.22Å; L690-Y741 HydrophobicContact CD2-CE2 3.25Å; E737-Y741 VanDerWaalsContact O-CD2 3.25Å; E737-Y741 WeakPolarHBondContact O-CD2 3.36Å; E738-Y741 PolarHBondContact O-N 2.93Å; S739-Y741 VanDerWaalsContact C-N 3.34Å; Y741-S743 PolarHBondContact O-N 3.14Å; Y741-L744 HydrophobicContact CD1-CD1 4.23Å; Y741-L744 PolarHBondContact O-N 3.42Å; Y741-V752 HydrophobicContact CD1-CB 4.43Å; Y741-V752 HydrophobicContact CD1-CG2 3.8Å; Y741-V752 HydrophobicContact CD2-CB 3.86Å; Y741-V752 HydrophobicContact CD2-CG1 4.33Å; Y741-V752 HydrophobicContact CD2-CG2 3.18Å; Y741-V752 HydrophobicContact CE1-CG2 3.62Å; Y741-V752 HydrophobicContact CE2-CB 4.15Å; Y741-V752 HydrophobicContact CE2-CG2 2.99Å; Y741-V752 HydrophobicContact CG-CB 4Å; Y741-V752 HydrophobicContact CG-CG2 3.58Å
742	E	73.4	Confident	71.7	Confident	140 Å²	140	53.7 Å²	53.7	65%	0.654	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-29.3	175.2	-73	173.8	-179.8	0	0	112.9	E738 L744	E738-E742 WeakPolarHBondContact O-CG 3.43Å; E738-E742 PolarHBondContact O-N 3.3Å; E742-L744 PolarHBondContact O-N 3.2Å
743	S	72.3	Confident	70.4	Confident	79 Å²	79	57.5 Å²	57.5	55%	0.552	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.7	179.3	63.9	0	0	0	0	114.4	V740 Y741	V740-S743 PolarHBondContact O-OG 2.64Å; Y741-S743 PolarHBondContact O-N 3.14Å
744	L	68.1	Low	69.6	Low	33 Å²	33	55.7 Å²	55.7	17%	0.173	33%	0.327	C	S	.	.	S	Bend	trans	-96.3	148.7	-176.1	-61.5	156.2	0	0	0	112.3	I687 Y741 E742 S748	I687-L744 HydrophobicContact CD1-CD1 3.12Å; I687-L744 HydrophobicContact CD1-CD2 4.29Å; I687-L744 HydrophobicContact CD1-CG 4.32Å; I687-L744 HydrophobicContact CG1-CD1 3.65Å; Y741-L744 HydrophobicContact CD1-CD1 4.23Å; Y741-L744 PolarHBondContact O-N 3.42Å; E742-L744 PolarHBondContact O-N 3.2Å; L744-S748 WeakPolarHBondContact CB-OG 3.37Å; L744-S748 VanDerWaalsContact CD1-CB 3.48Å; L744-S748 WeakPolarHBondContact CD1-OG 3.46Å
745	P	62.9	Low	69.2	Low	114 Å²	114	58 Å²	58	74%	0.74	34%	0.34	S	S	*	.			trans	-58.6	147.5	169.9	22.9	-30.2	0	0	0	111	G747	P745-G747 PolarHBondContact O-N 3.48Å
746	D	59	Low	69	Low	126 Å²	126	58.1 Å²	58.1	67%	0.674	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	-7.2	-155	-75.1	-32.3	0	0	0	120.3	K749	D746-K749 IonicContact OD1-NZ 2.67Å; D746-K749 PolarHBondContact OD1-NZ 2.88Å
747	G	51.1	Low	69.1	Low	61 Å²	61	57.8 Å²	57.8	63%	0.629	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-29.8	-178.7	0	0	0	0	0	116.1	P745	P745-G747 PolarHBondContact O-N 3.48Å
748	S	47.9	Very low	69.3	Low	27 Å²	27	59.6 Å²	59.6	19%	0.189	34%	0.338	C	S	.	.	S	Bend	trans	-97.8	-9.4	-173.4	33.5	0	0	0	0	115	L744 L750 T751	L744-S748 WeakPolarHBondContact CB-OG 3.37Å; L744-S748 VanDerWaalsContact CD1-CB 3.48Å; L744-S748 WeakPolarHBondContact CD1-OG 3.46Å; S748-L750 PolarHBondContact O-N 2.9Å; S748-T751 PolarHBondContact O-N 3.18Å; S748-T751 PolarHBondContact O-OG1 3.06Å; S748-T751 VanDerWaalsContact O-OG1 3.14Å
749	K	50	Low	69.8	Low	99 Å²	99	58.8 Å²	58.8	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-55.7	-30.4	168.2	-69.6	177.5	-179.1	167.1	0	111.8	D746 T751	D746-K749 IonicContact OD1-NZ 2.67Å; D746-K749 PolarHBondContact OD1-NZ 2.88Å; K749-T751 PolarHBondContact O-N 3.13Å
750	L	49.1	Very low	70.3	Confident	80 Å²	80	57.4 Å²	57.4	42%	0.419	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-26.4	-177.5	-70.1	165.2	0	0	0	114.4	S748 M754	S748-L750 PolarHBondContact O-N 2.9Å; L750-M754 WeakPolarHBondContact O-CB 3.29Å; L750-M754 WeakPolarHBondContact O-CG 3.24Å
751	T	50.7	Low	70.9	Confident	81 Å²	81	57.9 Å²	57.9	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-84.2	-35.4	-171.3	42.8	0	0	0	0	115.4	S748 K749	S748-T751 PolarHBondContact O-N 3.18Å; S748-T751 PolarHBondContact O-OG1 3.06Å; S748-T751 VanDerWaalsContact O-OG1 3.14Å; K749-T751 PolarHBondContact O-N 3.13Å
752	V	50.9	Low	71.8	Confident	12 Å²	12	56.5 Å²	56.5	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-83	-36.4	179.6	165.3	0	0	0	0	113.3	E738 Y741 M754 N755 T756	E738-V752 HydrophobicContact CG-CG1 3.94Å; Y741-V752 HydrophobicContact CD1-CB 4.43Å; Y741-V752 HydrophobicContact CD1-CG2 3.8Å; Y741-V752 HydrophobicContact CD2-CB 3.86Å; Y741-V752 HydrophobicContact CD2-CG1 4.33Å; Y741-V752 HydrophobicContact CD2-CG2 3.18Å; Y741-V752 HydrophobicContact CE1-CG2 3.62Å; Y741-V752 HydrophobicContact CE2-CB 4.15Å; Y741-V752 HydrophobicContact CE2-CG2 2.99Å; Y741-V752 HydrophobicContact CG-CB 4Å; Y741-V752 HydrophobicContact CG-CG2 3.58Å; V752-M754 PolarHBondContact O-N 3Å; V752-N755 PolarHBondContact O-N 3.02Å; V752-T756 PolarHBondContact O-N 3.44Å; V752-T756 PolarHBondContact O-OG1 3.06Å
753	D	65.4	Low	72.8	Confident	86 Å²	86	56.2 Å²	56.2	46%	0.46	32%	0.317	S	S	.	.	H	α-helix	trans	-57.1	-31.2	170.1	-168.9	7.2	0	0	0	111	T756 S757	D753-T756 PolarHBondContact O-OG1 3.35Å; D753-T756 VanDerWaalsContact O-OG1 3.05Å; D753-S757 WeakPolarHBondContact O-CB 3.35Å; D753-S757 PolarHBondContact O-N 2.94Å; D753-S757 VanDerWaalsContact O-N 3.12Å; D753-S757 PolarHBondContact O-OG 3.35Å; D753-S757 PolarHBondContact OD1-OG 3.21Å
754	M	76.1	Confident	74	Confident	42 Å²	42	53.2 Å²	53.2	21%	0.207	29%	0.294	C	S	.	.	H	α-helix	trans	-73.1	-43.2	-179.7	-73	-71.2	-63.4	0	0	113.8	L750 V752 S757 R758 R883 W884	L750-M754 WeakPolarHBondContact O-CB 3.29Å; L750-M754 WeakPolarHBondContact O-CG 3.24Å; V752-M754 PolarHBondContact O-N 3Å; M754-S757 WeakPolarHBondContact O-CB 3.47Å; M754-S757 PolarHBondContact O-N 3.26Å; M754-R758 WeakPolarHBondContact O-CB 3.38Å; M754-R758 WeakPolarHBondContact O-CG 3.49Å; M754-R758 PolarHBondContact O-N 3.19Å; M754-R883 HydrophobicContact SD-CG 4.05Å; M754-W884 HydrophobicContact CE-CE3 3.85Å; M754-W884 HydrophobicContact CE-CH2 4.09Å; M754-W884 HydrophobicContact CE-CZ3 3.31Å; M754-W884 HydrophobicContact SD-CZ3 4.21Å
755	N	84.5	Confident	75.3	Confident	50 Å²	50	51.6 Å²	51.6	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-70.2	-41	-178.3	-82.9	-17.6	0	0	0	112.5	V752 S757 R758 V759	V752-N755 PolarHBondContact O-N 3.02Å; N755-S757 VanDerWaalsContact C-N 3.29Å; N755-S757 PolarHBondContact O-N 3.47Å; N755-R758 PolarHBondContact O-N 3.29Å; N755-R758 PolarHBondContact OD1-NH1 3.12Å; N755-V759 WeakPolarHBondContact O-CG2 3.29Å; N755-V759 PolarHBondContact O-N 2.85Å
756	T	84.9	Confident	76.9	Confident	42 Å²	42	48.6 Å²	48.6	26%	0.258	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-41.4	173.4	49.6	0	0	0	0	110.9	V752 D753 R758 V759 S760	V752-T756 PolarHBondContact O-N 3.44Å; V752-T756 PolarHBondContact O-OG1 3.06Å; D753-T756 PolarHBondContact O-OG1 3.35Å; D753-T756 VanDerWaalsContact O-OG1 3.05Å; T756-R758 PolarHBondContact O-N 3.37Å; T756-V759 WeakPolarHBondContact O-CB 3.24Å; T756-V759 PolarHBondContact O-N 3.41Å; T756-S760 PolarHBondContact O-N 3.37Å; T756-S760 VanDerWaalsContact O-N 3.09Å
757	S	89.7	Confident	78.7	Confident	5 Å²	5	46.3 Å²	46.3	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-39.9	173.2	-67.3	0	0	0	0	112.9	D753 M754 N755 S760 H761 R883	D753-S757 WeakPolarHBondContact O-CB 3.35Å; D753-S757 PolarHBondContact O-N 2.94Å; D753-S757 VanDerWaalsContact O-N 3.12Å; D753-S757 PolarHBondContact O-OG 3.35Å; D753-S757 PolarHBondContact OD1-OG 3.21Å; M754-S757 WeakPolarHBondContact O-CB 3.47Å; M754-S757 PolarHBondContact O-N 3.26Å; N755-S757 VanDerWaalsContact C-N 3.29Å; N755-S757 PolarHBondContact O-N 3.47Å; S757-S760 PolarHBondContact O-N 3.4Å; S757-H761 VanDerWaalsContact O-CB 3.25Å; S757-H761 WeakPolarHBondContact O-CB 3.38Å; S757-H761 PolarHBondContact O-N 3.15Å; S757-R883 WeakPolarHBondContact OG-CD 3.32Å; S757-R883 PolarHBondContact OG-NE 3.24Å; S757-R883 VanDerWaalsContact OG-NE 3.09Å; S757-R883 PolarHBondContact OG-NH1 2.85Å; S757-R883 VanDerWaalsContact OG-NH1 3.12Å
758	R	92.7	Very high	80.8	Confident	47 Å²	47	44.5 Å²	44.5	18%	0.177	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-39.2	176	-72.7	172.6	76.6	-148	-0.2	111.9	L626 E672 M754 N755 T756 S760 H761 A762 W884	L626-R758 HydrophobicContact CD2-CB 4.22Å; E672-R758 IonicContact OE2-CZ 2.84Å; E672-R758 IonicContact OE2-NH1 2.73Å; E672-R758 PolarHBondContact OE2-NH1 3.08Å; E672-R758 IonicContact OE2-NH2 3.67Å; E672-R758 PolarHBondContact OE2-NH2 2.87Å; M754-R758 WeakPolarHBondContact O-CB 3.38Å; M754-R758 WeakPolarHBondContact O-CG 3.49Å; M754-R758 PolarHBondContact O-N 3.19Å; N755-R758 PolarHBondContact O-N 3.29Å; N755-R758 PolarHBondContact OD1-NH1 3.12Å; T756-R758 PolarHBondContact O-N 3.37Å; R758-S760 VanDerWaalsContact C-N 3.34Å; R758-H761 PolarHBondContact O-N 2.97Å; R758-A762 WeakPolarHBondContact O-CB 3.34Å; R758-A762 PolarHBondContact O-N 3.41Å; R758-W884 HydrophobicContact CG-CH2 3.72Å; R758-W884 HydrophobicContact CG-CZ3 4.21Å
759	V	93.7	Very high	83	Confident	35 Å²	35	43.9 Å²	43.9	21%	0.212	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-50	173	172.8	0	0	0	0	110.1	A624 L626 L674 N755 T756 A762 R763	A624-V759 HydrophobicContact CB-CB 4.46Å; A624-V759 HydrophobicContact CB-CG1 3.83Å; A624-V759 HydrophobicContact CB-CG2 3.95Å; L626-V759 HydrophobicContact CD2-CB 4.27Å; L626-V759 HydrophobicContact CD2-CG2 3.64Å; L674-V759 HydrophobicContact CB-CG2 4.44Å; L674-V759 HydrophobicContact CD2-CG2 3.36Å; N755-V759 WeakPolarHBondContact O-CG2 3.29Å; N755-V759 PolarHBondContact O-N 2.85Å; T756-V759 WeakPolarHBondContact O-CB 3.24Å; T756-V759 PolarHBondContact O-N 3.41Å; V759-A762 PolarHBondContact O-N 3.34Å; V759-R763 WeakPolarHBondContact O-CB 3.42Å; V759-R763 PolarHBondContact O-N 3.17Å
760	S	93.4	Very high	85	Confident	14 Å²	14	45.3 Å²	45.3	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-43.4	-177.4	-159.3	0	0	0	0	112.2	T756 S757 R758 R763 H764 E877	T756-S760 PolarHBondContact O-N 3.37Å; T756-S760 VanDerWaalsContact O-N 3.09Å; S757-S760 PolarHBondContact O-N 3.4Å; R758-S760 VanDerWaalsContact C-N 3.34Å; S760-R763 PolarHBondContact O-N 2.83Å; S760-R763 PolarHBondContact OG-NH2 3.41Å; S760-H764 PolarHBondContact O-N 2.99Å; S760-H764 PolarHBondContact O-ND1 2.8Å; S760-E877 WeakPolarHBondContact CB-OE2 3.44Å; S760-E877 PolarHBondContact OG-OE1 2.8Å; S760-E877 PolarHBondContact OG-OE2 3.1Å
761	H	95.6	Very high	87	Confident	11 Å²	11	47.1 Å²	47.1	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-50.2	174.5	-177.1	87.8	0	0	0	111.9	S757 R758 R763 H764 M765 E801 W884	S757-H761 VanDerWaalsContact O-CB 3.25Å; S757-H761 WeakPolarHBondContact O-CB 3.38Å; S757-H761 PolarHBondContact O-N 3.15Å; R758-H761 PolarHBondContact O-N 2.97Å; H761-R763 VanDerWaalsContact C-N 3.32Å; H761-R763 PolarHBondContact O-N 2.94Å; H761-H764 PolarHBondContact O-N 3.31Å; H761-M765 WeakPolarHBondContact O-CG 3.26Å; H761-M765 PolarHBondContact O-N 2.64Å; H761-E801 IonicContact CD2-OE2 3.5Å; H761-E801 IonicContact CE1-OE2 3.1Å; H761-E801 IonicContact NE2-OE2 3.98Å; H761-E801 PolarHBondContact NE2-OE2 3.25Å; H761-W884 HydrophobicContact CB-CZ2 4.32Å
762	A	96.3	Very high	89	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-37.2	178.7	0	0	0	0	0	112.5	K625 Y631 R758 V759 M765 T766	K625-A762 WeakPolarHBondContact O-CB 3.45Å; Y631-A762 HydrophobicContact CD1-CB 4.36Å; Y631-A762 HydrophobicContact CE1-CB 3.74Å; R758-A762 WeakPolarHBondContact O-CB 3.34Å; R758-A762 PolarHBondContact O-N 3.41Å; V759-A762 PolarHBondContact O-N 3.34Å; A762-M765 PolarHBondContact O-N 2.76Å; A762-T766 WeakPolarHBondContact O-CB 3.3Å; A762-T766 PolarHBondContact O-N 2.96Å; A762-T766 PolarHBondContact O-OG1 3.39Å
763	R	95.6	Very high	90.7	Very high	135 Å²	135	46.8 Å²	46.8	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-46.1	173.7	179.9	-178.1	57.1	70	7.5	111.4	V759 S760 H761 T766 S767 E877	V759-R763 WeakPolarHBondContact O-CB 3.42Å; V759-R763 PolarHBondContact O-N 3.17Å; S760-R763 PolarHBondContact O-N 2.83Å; S760-R763 PolarHBondContact OG-NH2 3.41Å; H761-R763 VanDerWaalsContact C-N 3.32Å; H761-R763 PolarHBondContact O-N 2.94Å; R763-T766 PolarHBondContact O-N 3.48Å; R763-S767 PolarHBondContact O-N 3.36Å; R763-S767 VanDerWaalsContact O-N 3.14Å; R763-E877 IonicContact NH2-OE1 3.89Å
764	H	96.1	Very high	91.9	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.069	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-48.1	174.8	-66.3	143.1	0	0	0	111.3	S760 H761 T766 S767 L768 I845 E877	S760-H764 PolarHBondContact O-N 2.99Å; S760-H764 PolarHBondContact O-ND1 2.8Å; H761-H764 PolarHBondContact O-N 3.31Å; H764-T766 PolarHBondContact O-N 3Å; H764-S767 PolarHBondContact O-N 3.01Å; H764-L768 HydrophobicContact CB-CD1 4.33Å; H764-L768 WeakPolarHBondContact O-CB 3.5Å; H764-L768 WeakPolarHBondContact O-CD1 3.44Å; H764-L768 VanDerWaalsContact O-CG 3.26Å; H764-L768 WeakPolarHBondContact O-CG 3.3Å; H764-L768 PolarHBondContact O-N 3.14Å; H764-I845 HydrophobicContact CB-CD1 4.23Å; H764-I845 HydrophobicContact CB-CG2 4.33Å; H764-E877 IonicContact CE1-OE1 3.67Å; H764-E877 PolarHBondContact CE1-OE1 3.21Å
765	M	97	Very high	92.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-41.9	179.1	-69.6	-59	148	0	0	112.5	Y631 H761 A762 S767 L768 C769 I779 E801 L802 L805	Y631-M765 HydrophobicContact CD1-CB 4.37Å; Y631-M765 HydrophobicContact CD2-CB 3.53Å; Y631-M765 HydrophobicContact CD2-CG 4.36Å; Y631-M765 HydrophobicContact CE1-CB 4.45Å; Y631-M765 HydrophobicContact CE2-CB 3.62Å; Y631-M765 HydrophobicContact CE2-CG 4Å; Y631-M765 HydrophobicContact CG-CB 3.92Å; H761-M765 WeakPolarHBondContact O-CG 3.26Å; H761-M765 PolarHBondContact O-N 2.64Å; A762-M765 PolarHBondContact O-N 2.76Å; M765-S767 PolarHBondContact O-N 3.31Å; M765-L768 PolarHBondContact O-N 2.83Å; M765-C769 WeakPolarHBondContact O-CB 3.18Å; M765-C769 PolarHBondContact O-N 3.21Å; M765-C769 PolarHBondContact O-SG 3.42Å; M765-I779 HydrophobicContact SD-CD1 4.36Å; M765-E801 HydrophobicContact CE-CB 4.21Å; M765-E801 HydrophobicContact SD-CB 4.35Å; M765-L802 HydrophobicContact CE-CD2 4.08Å; M765-L805 HydrophobicContact CE-CB 4.25Å; M765-L805 HydrophobicContact CE-CD2 3.49Å; M765-L805 VanDerWaalsContact CE-CD2 3.49Å; M765-L805 HydrophobicContact CE-CG 4.44Å; M765-L805 HydrophobicContact SD-CD2 4.47Å
766	T	96	Very high	93.2	Very high	51 Å²	51	39 Å²	39	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-46.7	176.5	-58.5	0	0	0	0	111.3	A762 R763 H764 N770	A762-T766 WeakPolarHBondContact O-CB 3.3Å; A762-T766 PolarHBondContact O-N 2.96Å; A762-T766 PolarHBondContact O-OG1 3.39Å; R763-T766 PolarHBondContact O-N 3.48Å; H764-T766 PolarHBondContact O-N 3Å; T766-N770 VanDerWaalsContact O-CG 3.28Å; T766-N770 PolarHBondContact O-N 3.11Å; T766-N770 PolarHBondContact O-ND2 3.01Å
767	S	96	Very high	93.4	Very high	78 Å²	78	38.1 Å²	38.1	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-64.5	-48.5	177.8	-175	0	0	0	0	111.9	R763 H764 M765 N770 H771	R763-S767 PolarHBondContact O-N 3.36Å; R763-S767 VanDerWaalsContact O-N 3.14Å; H764-S767 PolarHBondContact O-N 3.01Å; M765-S767 PolarHBondContact O-N 3.31Å; S767-N770 PolarHBondContact O-N 3.37Å; S767-H771 PolarHBondContact O-N 2.83Å; S767-H771 VanDerWaalsContact O-N 3.1Å
768	L	96.3	Very high	93.6	Very high	22 Å²	22	37.9 Å²	37.9	12%	0.115	20%	0.196	C	C	.	.	H	α-helix	trans	-74.8	-32.9	-172.6	-67	164	0	0	0	112.9	H764 M765 N770 H771 F772 L775 L805 L809 I845	H764-L768 HydrophobicContact CB-CD1 4.33Å; H764-L768 WeakPolarHBondContact O-CB 3.5Å; H764-L768 WeakPolarHBondContact O-CD1 3.44Å; H764-L768 VanDerWaalsContact O-CG 3.26Å; H764-L768 WeakPolarHBondContact O-CG 3.3Å; H764-L768 PolarHBondContact O-N 3.14Å; M765-L768 PolarHBondContact O-N 2.83Å; L768-N770 VanDerWaalsContact C-N 3.28Å; L768-N770 PolarHBondContact O-N 2.78Å; L768-H771 PolarHBondContact O-N 3Å; L768-F772 HydrophobicContact CD2-CE2 4.16Å; L768-F772 WeakPolarHBondContact O-CD2 3.34Å; L768-F772 PolarHBondContact O-N 2.99Å; L768-L775 HydrophobicContact CB-CD2 3.9Å; L768-L805 HydrophobicContact CB-CD1 4.27Å; L768-L805 HydrophobicContact CD1-CD1 3.77Å; L768-L805 HydrophobicContact CD1-CD2 3.63Å; L768-L805 HydrophobicContact CD1-CG 4.35Å; L768-L805 HydrophobicContact CG-CD1 4.47Å; L768-L809 HydrophobicContact CD2-CD2 4.17Å; L768-I845 HydrophobicContact CD1-CG2 4.26Å
769	C	94.2	Very high	93.7	Very high	14 Å²	14	35.6 Å²	35.6	10%	0.095	19%	0.187	C	C	.	.	H	α-helix	trans	-69	-28.4	173.7	-68.2	0	0	0	0	112.2	C633 M765 A776	C633-C769 VanDerWaalsContact SG-SG 3.68Å; M765-C769 WeakPolarHBondContact O-CB 3.18Å; M765-C769 PolarHBondContact O-N 3.21Å; M765-C769 PolarHBondContact O-SG 3.42Å; C769-A776 HydrophobicContact CB-CB 4.27Å
770	N	91	Very high	93.7	Very high	130 Å²	130	37.8 Å²	37.8	70%	0.695	19%	0.192	S	C	*	.	H	α-helix	trans	-75	-30.8	171.2	-71.1	-26	0	0	0	112	T766 S767 L768	T766-N770 VanDerWaalsContact O-CG 3.28Å; T766-N770 PolarHBondContact O-N 3.11Å; T766-N770 PolarHBondContact O-ND2 3.01Å; S767-N770 PolarHBondContact O-N 3.37Å; L768-N770 VanDerWaalsContact C-N 3.28Å; L768-N770 PolarHBondContact O-N 2.78Å
771	H	91.8	Very high	93.6	Very high	117 Å²	117	37.7 Å²	37.7	54%	0.542	19%	0.191	S	C	.	.	H	α-helix	trans	-76	-43.9	177.3	-175.6	77.4	0	0	0	112.5	N497 S767 L768	N497-H771 PolarHBondContact ND2-O 3.15Å; N497-H771 VanDerWaalsContact ND2-O 3.09Å; S767-H771 PolarHBondContact O-N 2.83Å; S767-H771 VanDerWaalsContact O-N 3.1Å; L768-H771 PolarHBondContact O-N 3Å
772	F	92.3	Very high	93.6	Very high	23 Å²	23	37.2 Å²	37.2	10%	0.101	19%	0.188	C	C	.	.			trans	-107.3	101.5	-179.1	-62.8	-65.8	0	0	0	111.1	L768 A774 L775 F808 L809	L768-F772 HydrophobicContact CD2-CE2 4.16Å; L768-F772 WeakPolarHBondContact O-CD2 3.34Å; L768-F772 PolarHBondContact O-N 2.99Å; F772-A774 PolarHBondContact O-N 3.16Å; F772-A774 VanDerWaalsContact O-N 3.12Å; F772-L775 HydrophobicContact CB-CB 3.7Å; F772-L775 HydrophobicContact CB-CD2 4.47Å; F772-L775 HydrophobicContact CD2-CD2 4.28Å; F772-L775 WeakPolarHBondContact O-CB 3.43Å; F772-L775 PolarHBondContact O-N 3.3Å; F772-F808 HydrophobicContact CB-CD1 3.68Å; F772-F808 HydrophobicContact CB-CE1 4.05Å; F772-F808 HydrophobicContact CD1-CB 4.46Å; F772-F808 AromaticContact CD1-CD1 3.84Å; F772-F808 HydrophobicContact CD1-CD1 3.84Å; F772-F808 HydrophobicContact CD2-CB 3.99Å; F772-F808 HydrophobicContact CD2-CD1 4.19Å; F772-F808 HydrophobicContact CD2-CG 4.45Å; F772-F808 HydrophobicContact CE1-CB 4.41Å; F772-F808 HydrophobicContact CE1-CD1 4.5Å; F772-F808 HydrophobicContact CE2-CB 3.93Å; F772-F808 HydrophobicContact CG-CB 4.26Å; F772-F808 AromaticContact CG-CD1 3.66Å; F772-F808 HydrophobicContact CG-CD1 3.66Å; F772-F808 HydrophobicContact CG-CE1 4.49Å; F772-F808 HydrophobicContact CG-CG 4.35Å; F772-F808 HydrophobicContact CZ-CB 4.15Å; F772-L809 HydrophobicContact CE2-CD2 4.1Å; F772-L809 HydrophobicContact CZ-CD2 4.49Å
773	E	87.3	Confident	93.5	Very high	64 Å²	64	37.1 Å²	37.1	30%	0.299	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.9	-176.3	-173.8	-177	-172.1	0	0	113.6	N497 T500	N497-E773 WeakPolarHBondContact CA-OE2 3.13Å; N497-E773 HydrophobicContact CB-CB 4.25Å; T500-E773 VanDerWaalsContact CB-OE1 3.3Å; T500-E773 WeakPolarHBondContact CB-OE1 3.5Å; T500-E773 WeakPolarHBondContact CG2-OE1 3.26Å; T500-E773 PolarHBondContact OG1-OE1 3.45Å
774	A	90	Very high	93.2	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-8	-178.7	0	0	0	0	0	114.8	F772 S777 T778 F808 R818	F772-A774 PolarHBondContact O-N 3.16Å; F772-A774 VanDerWaalsContact O-N 3.12Å; A774-S777 PolarHBondContact O-N 2.88Å; A774-S777 PolarHBondContact O-OG 3.41Å; A774-T778 WeakPolarHBondContact O-CB 3.46Å; A774-T778 PolarHBondContact O-N 3.05Å; A774-T778 PolarHBondContact O-OG1 3.28Å; A774-F808 HydrophobicContact CB-CE1 4.22Å; A774-F808 HydrophobicContact CB-CZ 4.33Å; A774-R818 WeakPolarHBondContact CB-O 3.38Å
775	L	94.4	Very high	93.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-54.5	-172.4	175.6	59.8	0	0	0	111.6	L768 F772 S777 T778 I779 V804 L805 F808	L768-L775 HydrophobicContact CB-CD2 3.9Å; F772-L775 HydrophobicContact CB-CB 3.7Å; F772-L775 HydrophobicContact CB-CD2 4.47Å; F772-L775 HydrophobicContact CD2-CD2 4.28Å; F772-L775 WeakPolarHBondContact O-CB 3.43Å; F772-L775 PolarHBondContact O-N 3.3Å; L775-S777 VanDerWaalsContact C-N 3.3Å; L775-S777 PolarHBondContact O-N 3.16Å; L775-T778 WeakPolarHBondContact O-CB 3.46Å; L775-T778 PolarHBondContact O-N 2.77Å; L775-T778 VanDerWaalsContact O-N 3.13Å; L775-I779 HydrophobicContact CD1-CD1 3.71Å; L775-I779 HydrophobicContact CD1-CG1 4.1Å; L775-I779 HydrophobicContact CG-CD1 3.83Å; L775-I779 WeakPolarHBondContact O-CG1 3.31Å; L775-I779 PolarHBondContact O-N 3.21Å; L775-V804 HydrophobicContact CD1-CG1 3.95Å; L775-L805 HydrophobicContact CD1-CD1 4.41Å; L775-L805 HydrophobicContact CD2-CD1 3.86Å; L775-F808 HydrophobicContact CB-CD1 4.25Å; L775-F808 HydrophobicContact CB-CE1 4Å; L775-F808 HydrophobicContact CB-CE2 4.45Å; L775-F808 HydrophobicContact CB-CZ 4.12Å; L775-F808 HydrophobicContact CD1-CD1 4.5Å; L775-F808 HydrophobicContact CD1-CD2 3.56Å; L775-F808 HydrophobicContact CD1-CE2 3.67Å; L775-F808 HydrophobicContact CD1-CG 4.01Å; L775-F808 HydrophobicContact CD1-CZ 4.19Å
776	A	93	Very high	93	Very high	9 Å²	9	30.6 Å²	30.6	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-41.5	-178.7	0	0	0	0	0	112.1	D632 C769 I779 R780	D632-A776 HydrophobicContact CB-CB 4.16Å; C769-A776 HydrophobicContact CB-CB 4.27Å; A776-I779 PolarHBondContact O-N 2.87Å; A776-R780 WeakPolarHBondContact O-CG 3.26Å; A776-R780 PolarHBondContact O-N 2.88Å; A776-R780 PolarHBondContact O-NH1 3.37Å
777	S	88.9	Confident	92.8	Very high	24 Å²	24	28.3 Å²	28.3	17%	0.168	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-33.6	178	56.3	0	0	0	0	113.2	A774 L775 T781	A774-S777 PolarHBondContact O-N 2.88Å; A774-S777 PolarHBondContact O-OG 3.41Å; L775-S777 VanDerWaalsContact C-N 3.3Å; L775-S777 PolarHBondContact O-N 3.16Å; S777-T781 WeakPolarHBondContact O-CB 3.31Å; S777-T781 PolarHBondContact O-N 3.43Å; S777-T781 VanDerWaalsContact O-N 3.14Å; S777-T781 PolarHBondContact O-OG1 2.87Å
778	T	93.6	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-45.6	171.6	-54.9	0	0	0	0	111.1	A774 L775 T781 A782 V804 F808 H820 G823	A774-T778 WeakPolarHBondContact O-CB 3.46Å; A774-T778 PolarHBondContact O-N 3.05Å; A774-T778 PolarHBondContact O-OG1 3.28Å; L775-T778 WeakPolarHBondContact O-CB 3.46Å; L775-T778 PolarHBondContact O-N 2.77Å; L775-T778 VanDerWaalsContact O-N 3.13Å; T778-T781 WeakPolarHBondContact O-CB 3.28Å; T778-T781 PolarHBondContact O-N 3.05Å; T778-A782 PolarHBondContact O-N 3.38Å; T778-V804 HydrophobicContact CG2-CG1 3.51Å; T778-F808 HydrophobicContact CG2-CE2 4.28Å; T778-H820 WeakPolarHBondContact OG1-CA 3.19Å; T778-G823 VanDerWaalsContact CG2-C 3.4Å
779	I	96.1	Very high	92.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-50.6	177.8	-73.6	168.8	0	0	0	110.6	C633 M765 L775 A776 T781 A782 K783 E801 V804	C633-I779 HydrophobicContact CB-CG2 3.76Å; C633-I779 WeakPolarHBondContact SG-CD1 3.25Å; M765-I779 HydrophobicContact SD-CD1 4.36Å; L775-I779 HydrophobicContact CD1-CD1 3.71Å; L775-I779 HydrophobicContact CD1-CG1 4.1Å; L775-I779 HydrophobicContact CG-CD1 3.83Å; L775-I779 WeakPolarHBondContact O-CG1 3.31Å; L775-I779 PolarHBondContact O-N 3.21Å; A776-I779 PolarHBondContact O-N 2.87Å; I779-T781 PolarHBondContact O-N 3.11Å; I779-A782 PolarHBondContact O-N 3.35Å; I779-A782 VanDerWaalsContact O-N 3.12Å; I779-K783 HydrophobicContact CG2-CD 4.08Å; I779-K783 HydrophobicContact CG2-CG 4.29Å; I779-K783 WeakPolarHBondContact O-CG 3.45Å; I779-K783 PolarHBondContact O-N 2.91Å; I779-E801 HydrophobicContact CD1-CB 4.38Å; I779-E801 HydrophobicContact CD1-CG 4.16Å; I779-E801 HydrophobicContact CG1-CG 4.44Å; I779-E801 HydrophobicContact CG2-CG 3.59Å; I779-V804 HydrophobicContact CG1-CB 3.87Å; I779-V804 HydrophobicContact CG1-CG1 3.68Å; I779-V804 HydrophobicContact CG1-CG2 4.4Å
780	R	92.6	Very high	92.4	Very high	81 Å²	81	24.5 Å²	24.5	31%	0.306	12%	0.121	S	C	.	.	H	α-helix	trans	-56.2	-42.1	177.3	-70.4	-169.6	-53.5	-91.6	7.5	111.6	D632 E634 A776 Q784	D632-R780 WeakPolarHBondContact O-CD 3.34Å; D632-R780 PolarHBondContact O-NH1 2.8Å; E634-R780 WeakPolarHBondContact O-CD 3.46Å; E634-R780 WeakPolarHBondContact O-CG 3.49Å; A776-R780 WeakPolarHBondContact O-CG 3.26Å; A776-R780 PolarHBondContact O-N 2.88Å; A776-R780 PolarHBondContact O-NH1 3.37Å; R780-Q784 WeakPolarHBondContact O-CB 3.39Å; R780-Q784 PolarHBondContact O-N 3.48Å
781	T	90.9	Very high	92.6	Very high	12 Å²	12	18.3 Å²	18.3	7%	0.074	9%	0.087	C	C	.	.	H	α-helix	trans	-62.6	-46.2	177.3	-63	0	0	0	0	111.9	I576 S777 T778 I779 Q784 W785 F824 F926	I576-T781 HydrophobicContact CB-CG2 4.26Å; I576-T781 HydrophobicContact CD1-CG2 4.36Å; I576-T781 HydrophobicContact CG2-CG2 3.22Å; S777-T781 WeakPolarHBondContact O-CB 3.31Å; S777-T781 PolarHBondContact O-N 3.43Å; S777-T781 VanDerWaalsContact O-N 3.14Å; S777-T781 PolarHBondContact O-OG1 2.87Å; T778-T781 WeakPolarHBondContact O-CB 3.28Å; T778-T781 PolarHBondContact O-N 3.05Å; I779-T781 PolarHBondContact O-N 3.11Å; T781-Q784 PolarHBondContact O-N 3.06Å; T781-W785 PolarHBondContact O-N 3.45Å; T781-F824 HydrophobicContact CG2-CB 3.71Å; T781-F824 HydrophobicContact CG2-CD1 4.1Å; T781-F824 HydrophobicContact CG2-CD2 3.58Å; T781-F824 HydrophobicContact CG2-CE2 4.17Å; T781-F824 HydrophobicContact CG2-CG 3.51Å; T781-F926 HydrophobicContact CG2-CZ 4.4Å
782	A	95.4	Very high	92.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.5	-48.1	178.9	0	0	0	0	0	111.9	T778 I779 Q784 W785 I786 V800 V804 F827	T778-A782 PolarHBondContact O-N 3.38Å; I779-A782 PolarHBondContact O-N 3.35Å; I779-A782 VanDerWaalsContact O-N 3.12Å; A782-Q784 VanDerWaalsContact C-N 3.29Å; A782-Q784 PolarHBondContact O-N 3.48Å; A782-W785 WeakPolarHBondContact O-CB 3.25Å; A782-W785 PolarHBondContact O-N 3.09Å; A782-W785 VanDerWaalsContact O-N 3.14Å; A782-I786 WeakPolarHBondContact O-CG1 3.47Å; A782-I786 PolarHBondContact O-N 3.28Å; A782-V800 HydrophobicContact CB-CG1 3.73Å; A782-V804 HydrophobicContact CB-CG2 3.63Å; A782-F827 HydrophobicContact CB-CD1 3.82Å; A782-F827 HydrophobicContact CB-CD2 4.2Å; A782-F827 HydrophobicContact CB-CE1 3.76Å; A782-F827 HydrophobicContact CB-CE2 4.16Å; A782-F827 HydrophobicContact CB-CG 4.03Å; A782-F827 HydrophobicContact CB-CZ 3.92Å
783	K	95	Very high	92.7	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-59.5	-40.3	175.3	-70.2	-176.1	176.8	-170.7	0	112.1	C633 I635 I779 W785 I786 S787 D797 V800 E801	C633-K783 PolarHBondContact O-NZ 3.42Å; I635-K783 HydrophobicContact CD1-CB 3.76Å; I635-K783 HydrophobicContact CG1-CB 3.94Å; I779-K783 HydrophobicContact CG2-CD 4.08Å; I779-K783 HydrophobicContact CG2-CG 4.29Å; I779-K783 WeakPolarHBondContact O-CG 3.45Å; I779-K783 PolarHBondContact O-N 2.91Å; K783-W785 VanDerWaalsContact C-N 3.35Å; K783-I786 PolarHBondContact O-N 2.87Å; K783-S787 WeakPolarHBondContact O-CB 3.49Å; K783-S787 PolarHBondContact O-N 3.4Å; K783-S787 PolarHBondContact O-OG 3.21Å; K783-D797 HydrophobicContact CD-CB 4.39Å; K783-D797 WeakPolarHBondContact CD-OD2 3.3Å; K783-D797 VanDerWaalsContact CE-CG 3.44Å; K783-D797 VanDerWaalsContact CE-OD2 3.3Å; K783-D797 WeakPolarHBondContact CE-OD2 3.38Å; K783-D797 VanDerWaalsContact NZ-CG 3.34Å; K783-D797 IonicContact NZ-OD2 3.15Å; K783-D797 PolarHBondContact NZ-OD2 3.49Å; K783-V800 HydrophobicContact CG-CB 4.16Å; K783-V800 HydrophobicContact CG-CG1 3.82Å; K783-E801 WeakPolarHBondContact CE-OE1 3.19Å; K783-E801 IonicContact NZ-OE1 3.25Å; K783-E801 PolarHBondContact NZ-OE1 2.9Å
784	Q	90	Very high	93	Very high	9 Å²	9	12.4 Å²	12.4	4%	0.042	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-43.9	175.8	180	61.3	28.4	0	0	111.1	I635 R780 T781 A782 S787 C788 F926	I635-Q784 HydrophobicContact CD1-CB 4.09Å; I635-Q784 HydrophobicContact CG2-CB 4.48Å; R780-Q784 WeakPolarHBondContact O-CB 3.39Å; R780-Q784 PolarHBondContact O-N 3.48Å; T781-Q784 PolarHBondContact O-N 3.06Å; A782-Q784 VanDerWaalsContact C-N 3.29Å; A782-Q784 PolarHBondContact O-N 3.48Å; Q784-S787 PolarHBondContact O-N 2.98Å; Q784-C788 PolarHBondContact NE2-SG 3.01Å; Q784-C788 VanDerWaalsContact O-CB 3.27Å; Q784-C788 WeakPolarHBondContact O-CB 3.36Å; Q784-C788 PolarHBondContact O-N 3.44Å; Q784-C788 PolarHBondContact O-SG 3.33Å; Q784-F926 HydrophobicContact CB-CE1 4.45Å; Q784-F926 HydrophobicContact CG-CD1 4.2Å; Q784-F926 HydrophobicContact CG-CE1 4.08Å
785	W	93.1	Very high	93.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.8	-50.2	176.7	-179.6	79.8	0	0	0	111.5	T781 A782 K783 S787 C788 R789 F824 F827 L828 L831 L900 A901 A904 S925 F926	T781-W785 PolarHBondContact O-N 3.45Å; A782-W785 WeakPolarHBondContact O-CB 3.25Å; A782-W785 PolarHBondContact O-N 3.09Å; A782-W785 VanDerWaalsContact O-N 3.14Å; K783-W785 VanDerWaalsContact C-N 3.35Å; W785-S787 PolarHBondContact O-N 2.72Å; W785-C788 WeakPolarHBondContact O-CB 3.4Å; W785-C788 PolarHBondContact O-N 2.87Å; W785-C788 VanDerWaalsContact O-N 3.15Å; W785-R789 HydrophobicContact CD2-CG 4.03Å; W785-R789 HydrophobicContact CE3-CG 4.49Å; W785-R789 HydrophobicContact CG-CG 4.49Å; W785-R789 HydrophobicContact CH2-CG 4.34Å; W785-R789 HydrophobicContact CZ2-CG 3.85Å; W785-R789 VanDerWaalsContact O-CG 3.31Å; W785-R789 WeakPolarHBondContact O-CG 3.43Å; W785-R789 PolarHBondContact O-N 3.44Å; W785-F824 HydrophobicContact CB-CE2 3.53Å; W785-F824 HydrophobicContact CB-CZ 3.8Å; W785-F824 AromaticContact CD1-CZ 3.66Å; W785-F824 HydrophobicContact CD2-CE2 4.35Å; W785-F824 HydrophobicContact CD2-CZ 4.41Å; W785-F824 AromaticContact CG-CE2 3.74Å; W785-F824 HydrophobicContact CG-CE2 3.74Å; W785-F824 AromaticContact CG-CZ 3.67Å; W785-F824 HydrophobicContact CG-CZ 3.67Å; W785-F827 AromaticContact CE3-CE1 3.95Å; W785-F827 HydrophobicContact CE3-CE1 3.95Å; W785-F827 HydrophobicContact CZ3-CE1 4.28Å; W785-L828 HydrophobicContact CD2-CD2 3.72Å; W785-L828 HydrophobicContact CE3-CD2 3.84Å; W785-L828 HydrophobicContact CG-CD2 4.42Å; W785-L828 HydrophobicContact CH2-CD2 3.76Å; W785-L828 HydrophobicContact CZ2-CD2 3.64Å; W785-L828 HydrophobicContact CZ3-CD2 3.86Å; W785-L831 HydrophobicContact CZ3-CD1 4.07Å; W785-L900 HydrophobicContact CH2-CB 4.15Å; W785-L900 HydrophobicContact CZ2-CB 4.23Å; W785-A901 HydrophobicContact CH2-CB 3.93Å; W785-A904 HydrophobicContact CZ2-CB 4.04Å; W785-S925 PolarHBondContact NE1-O 3.42Å; W785-S925 VanDerWaalsContact NE1-O 3.16Å; W785-F926 HydrophobicContact CB-CD1 4.34Å; W785-F926 HydrophobicContact CB-CE1 3.71Å; W785-F926 HydrophobicContact CB-CZ 4.1Å; W785-F926 HydrophobicContact CG-CE1 4.41Å
786	I	95.4	Very high	93.3	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-52.3	-45.7	175.3	-68.1	-66.4	0	0	0	110.8	A782 K783 R789 M790 L791 L795 V800 F827	A782-I786 WeakPolarHBondContact O-CG1 3.47Å; A782-I786 PolarHBondContact O-N 3.28Å; K783-I786 PolarHBondContact O-N 2.87Å; I786-R789 CarbonylContact O-C 3.17Å; I786-R789 PolarHBondContact O-N 2.81Å; I786-M790 PolarHBondContact O-N 2.76Å; I786-L791 HydrophobicContact CG2-CB 3.83Å; I786-L791 WeakPolarHBondContact O-CB 3.38Å; I786-L791 PolarHBondContact O-N 2.77Å; I786-L795 HydrophobicContact CD1-CD2 3.89Å; I786-L795 HydrophobicContact CG1-CD2 4.37Å; I786-L795 HydrophobicContact CG2-CB 4.44Å; I786-V800 HydrophobicContact CG1-CG2 4.1Å; I786-F827 HydrophobicContact CD1-CZ 4.26Å; I786-F827 HydrophobicContact CG1-CZ 4.23Å
787	S	92.4	Very high	93.4	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-67.6	-44.1	179.3	-61.8	0	0	0	0	112.9	K783 Q784 W785 R789 M790 S792 N991 W993	K783-S787 WeakPolarHBondContact O-CB 3.49Å; K783-S787 PolarHBondContact O-N 3.4Å; K783-S787 PolarHBondContact O-OG 3.21Å; Q784-S787 PolarHBondContact O-N 2.98Å; W785-S787 PolarHBondContact O-N 2.72Å; S787-R789 PolarHBondContact O-N 2.72Å; S787-M790 WeakPolarHBondContact O-CA 3.42Å; S787-M790 PolarHBondContact O-N 2.95Å; S787-S792 WeakPolarHBondContact CA-OG 3.47Å; S787-S792 WeakPolarHBondContact CB-OG 3.39Å; S787-S792 PolarHBondContact OG-OG 2.87Å; S787-S792 VanDerWaalsContact OG-OG 3.06Å; S787-N991 WeakPolarHBondContact O-CA 3.49Å; S787-N991 WeakPolarHBondContact O-CB 3.49Å; S787-W993 VanDerWaalsContact OG-CD1 3.27Å
788	C	90.8	Very high	93.8	Very high	9 Å²	9	18.7 Å²	18.7	6%	0.061	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-33.8	172.9	-88.5	0	0	0	0	112.5	Q784 W785 M790 F926 P928	Q784-C788 PolarHBondContact NE2-SG 3.01Å; Q784-C788 VanDerWaalsContact O-CB 3.27Å; Q784-C788 WeakPolarHBondContact O-CB 3.36Å; Q784-C788 PolarHBondContact O-N 3.44Å; Q784-C788 PolarHBondContact O-SG 3.33Å; W785-C788 WeakPolarHBondContact O-CB 3.4Å; W785-C788 PolarHBondContact O-N 2.87Å; W785-C788 VanDerWaalsContact O-N 3.15Å; C788-M790 PolarHBondContact O-N 3.09Å; C788-F926 HydrophobicContact CB-CB 4.3Å; C788-F926 HydrophobicContact CB-CD1 4.18Å; C788-F926 WeakPolarHBondContact CB-O 3.39Å; C788-F926 PolarHBondContact SG-O 3.19Å; C788-P928 VanDerWaalsContact O-CA 3.3Å; C788-P928 WeakPolarHBondContact O-CA 3.4Å
789	R	92.6	Very high	94	Very high	22 Å²	22	18.7 Å²	18.7	8%	0.083	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	6.4	173.5	-60.9	-39.7	-68.1	-165.8	-13.6	113.9	W785 I786 S787 L791 L900 N924 S925 A927	W785-R789 HydrophobicContact CD2-CG 4.03Å; W785-R789 HydrophobicContact CE3-CG 4.49Å; W785-R789 HydrophobicContact CG-CG 4.49Å; W785-R789 HydrophobicContact CH2-CG 4.34Å; W785-R789 HydrophobicContact CZ2-CG 3.85Å; W785-R789 VanDerWaalsContact O-CG 3.31Å; W785-R789 WeakPolarHBondContact O-CG 3.43Å; W785-R789 PolarHBondContact O-N 3.44Å; I786-R789 CarbonylContact O-C 3.17Å; I786-R789 PolarHBondContact O-N 2.81Å; S787-R789 PolarHBondContact O-N 2.72Å; R789-L791 VanDerWaalsContact C-N 3.29Å; R789-L791 HydrophobicContact CB-CD1 3.79Å; R789-L791 HydrophobicContact CB-CG 4.3Å; R789-L791 PolarHBondContact O-N 3.17Å; R789-L900 HydrophobicContact CB-CD1 4.18Å; R789-L900 HydrophobicContact CG-CD1 4.45Å; R789-N924 PolarHBondContact NH1-O 3.3Å; R789-N924 VanDerWaalsContact NH1-O 3.12Å; R789-S925 WeakPolarHBondContact CD-O 3.43Å; R789-A927 PolarHBondContact NH1-O 3.2Å
790	M	94.3	Very high	94.1	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.015	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	30.5	178	-55.8	177	63.1	0	0	113.5	I786 S787 C788 P928 L930 F933 F989 Y990 N991 S997	I786-M790 PolarHBondContact O-N 2.76Å; S787-M790 WeakPolarHBondContact O-CA 3.42Å; S787-M790 PolarHBondContact O-N 2.95Å; C788-M790 PolarHBondContact O-N 3.09Å; M790-P928 HydrophobicContact CG-CB 4.01Å; M790-P928 HydrophobicContact SD-CB 3.49Å; M790-P928 WeakPolarHBondContact SD-CB 3.39Å; M790-L930 HydrophobicContact SD-CD2 4.2Å; M790-F933 HydrophobicContact CB-CZ 4.4Å; M790-F933 HydrophobicContact CE-CE2 4.06Å; M790-F933 HydrophobicContact CE-CZ 4.27Å; M790-F933 HydrophobicContact SD-CE2 3.53Å; M790-F933 VanDerWaalsContact SD-CE2 3.53Å; M790-F933 HydrophobicContact SD-CZ 3.88Å; M790-F989 HydrophobicContact CB-CB 3.92Å; M790-F989 WeakPolarHBondContact CE-O 3.08Å; M790-F989 CarbonylContact O-C 3.44Å; M790-F989 WeakPolarHBondContact O-CA 3.43Å; M790-F989 WeakPolarHBondContact O-CB 3.42Å; M790-Y990 CarbonylContact C-O 3.58Å; M790-Y990 VanDerWaalsContact CA-O 3.32Å; M790-Y990 WeakPolarHBondContact CA-O 3.32Å; M790-Y990 PolarHBondContact O-N 3.41Å; M790-N991 HydrophobicContact CG-CB 4.39Å; M790-S997 WeakPolarHBondContact CE-O 3.46Å
791	L	95.5	Very high	94.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-107.3	12.4	-175.8	-68.1	162	0	0	0	113.4	I786 R789 D793 Y794 L795 V893 W896 I897 L900 F989	I786-L791 HydrophobicContact CG2-CB 3.83Å; I786-L791 WeakPolarHBondContact O-CB 3.38Å; I786-L791 PolarHBondContact O-N 2.77Å; R789-L791 VanDerWaalsContact C-N 3.29Å; R789-L791 HydrophobicContact CB-CD1 3.79Å; R789-L791 HydrophobicContact CB-CG 4.3Å; R789-L791 PolarHBondContact O-N 3.17Å; L791-D793 PolarHBondContact O-N 3.4Å; L791-D793 VanDerWaalsContact O-N 3.14Å; L791-Y794 HydrophobicContact CD2-CD2 4.48Å; L791-Y794 PolarHBondContact O-N 3.05Å; L791-L795 PolarHBondContact O-N 2.78Å; L791-V893 HydrophobicContact CD2-CG1 3.96Å; L791-W896 HydrophobicContact CD2-CE3 3.95Å; L791-W896 HydrophobicContact CD2-CZ3 3.88Å; L791-I897 HydrophobicContact CD1-CD1 4.48Å; L791-I897 HydrophobicContact CD1-CG1 3.64Å; L791-I897 HydrophobicContact CD2-CD1 4.47Å; L791-I897 HydrophobicContact CD2-CG1 4.05Å; L791-I897 HydrophobicContact CG-CG1 4.43Å; L791-L900 HydrophobicContact CD1-CD1 3.99Å; L791-F989 HydrophobicContact CD2-CD1 4.21Å; L791-F989 HydrophobicContact CD2-CE1 4.23Å
792	S	92.6	Very high	94.8	Very high	19 Å²	19	14.4 Å²	14.4	13%	0.133	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.5	-174.7	-59.5	0	0	0	0	113.6	S787 Y990 H992	S787-S792 WeakPolarHBondContact CA-OG 3.47Å; S787-S792 WeakPolarHBondContact CB-OG 3.39Å; S787-S792 PolarHBondContact OG-OG 2.87Å; S787-S792 VanDerWaalsContact OG-OG 3.06Å; S792-Y990 PolarHBondContact OG-O 2.99Å; S792-H992 WeakPolarHBondContact CB-CD2 3.43Å; S792-H992 PolarHBondContact OG-N 2.98Å
793	D	92.2	Very high	94.9	Very high	49 Å²	49	14.4 Å²	14.4	26%	0.262	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.8	179.1	-66.6	-68.6	0	0	0	114.6	L791 R979 H992	L791-D793 PolarHBondContact O-N 3.4Å; L791-D793 VanDerWaalsContact O-N 3.14Å; D793-R979 VanDerWaalsContact CB-NH2 3.29Å; D793-R979 IonicContact OD1-NH1 3.52Å; D793-R979 PolarHBondContact OD1-NH1 2.85Å; D793-R979 IonicContact OD2-CZ 2.83Å; D793-R979 IonicContact OD2-NH1 2.91Å; D793-R979 PolarHBondContact OD2-NH1 2.91Å; D793-R979 IonicContact OD2-NH2 3.98Å; D793-R979 PolarHBondContact OD2-NH2 3.48Å; D793-H992 IonicContact OD1-CE1 3.23Å; D793-H992 PolarHBondContact OD1-CE1 3.17Å; D793-H992 IonicContact OD1-NE2 3.79Å; D793-H992 PolarHBondContact OD1-NE2 2.96Å; D793-H992 IonicContact OD2-CD2 2.92Å; D793-H992 IonicContact OD2-CE1 2.72Å; D793-H992 IonicContact OD2-NE2 3.63Å; D793-H992 PolarHBondContact OD2-NE2 3.3Å
794	Y	95	Very high	95.1	Very high	12 Å²	12	14.3 Å²	14.3	5%	0.047	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-14	-171.3	-72.5	-79.8	0	0	0	113.3	L791 Q888 P889 V893 F988 F989	L791-Y794 HydrophobicContact CD2-CD2 4.48Å; L791-Y794 PolarHBondContact O-N 3.05Å; Y794-Q888 HydrophobicContact CD1-CG 4.48Å; Y794-Q888 CarbonylContact O-C 3.57Å; Y794-Q888 WeakPolarHBondContact O-CB 3.44Å; Y794-P889 WeakPolarHBondContact O-CA 3.48Å; Y794-P889 WeakPolarHBondContact O-CB 3.34Å; Y794-P889 VanDerWaalsContact O-CD 3.32Å; Y794-P889 WeakPolarHBondContact O-CD 3.26Å; Y794-P889 VanDerWaalsContact O-N 3.13Å; Y794-V893 HydrophobicContact CD1-CB 4.35Å; Y794-V893 HydrophobicContact CD1-CG1 3.83Å; Y794-V893 HydrophobicContact CD1-CG2 3.99Å; Y794-V893 HydrophobicContact CE1-CG2 4.07Å; Y794-V893 HydrophobicContact CG-CG1 3.89Å; Y794-F988 WeakPolarHBondContact CE2-O 3.45Å; Y794-F988 PolarHBondContact OH-N 3.18Å; Y794-F988 PolarHBondContact OH-O 3.06Å; Y794-F989 AromaticContact CD2-CD1 3.61Å; Y794-F989 HydrophobicContact CD2-CD1 3.61Å; Y794-F989 AromaticContact CD2-CE1 3.72Å; Y794-F989 HydrophobicContact CD2-CE1 3.72Å; Y794-F989 HydrophobicContact CE1-CE1 4.27Å; Y794-F989 AromaticContact CE2-CD1 3.24Å; Y794-F989 HydrophobicContact CE2-CD1 3.24Å; Y794-F989 AromaticContact CE2-CE1 3.36Å; Y794-F989 HydrophobicContact CE2-CE1 3.36Å; Y794-F989 AromaticContact CE2-CG 4Å; Y794-F989 HydrophobicContact CE2-CG 4Å; Y794-F989 HydrophobicContact CE2-CZ 4.2Å; Y794-F989 HydrophobicContact CG-CE1 4.31Å; Y794-F989 AromaticContact CZ-CD1 3.99Å; Y794-F989 AromaticContact CZ-CE1 3.67Å
795	L	95.9	Very high	95.5	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.069	C	C	.	.	S	Bend	trans	-141	115	173.9	-172.8	63.5	0	0	0	108.4	I786 L791 A799 V800 F871 T885	I786-L795 HydrophobicContact CD1-CD2 3.89Å; I786-L795 HydrophobicContact CG1-CD2 4.37Å; I786-L795 HydrophobicContact CG2-CB 4.44Å; L791-L795 PolarHBondContact O-N 2.78Å; L795-A799 HydrophobicContact CD1-CB 3.71Å; L795-A799 HydrophobicContact CG-CB 4.26Å; L795-V800 HydrophobicContact CD2-CG2 3.65Å; L795-V800 HydrophobicContact CG-CG2 3.84Å; L795-F871 HydrophobicContact CD1-CD2 4.02Å; L795-F871 HydrophobicContact CD1-CE2 4.42Å; L795-T885 HydrophobicContact CD1-CG2 4.47Å
796	K	94.5	Very high	95.7	Very high	86 Å²	86	14.2 Å²	14.2	37%	0.374	7%	0.071	S	C	.	.			trans	-62	148.8	-179.5	-68.1	-170.1	-178.2	177.6	0	111.3	E798 A799 V800 W884	K796-E798 VanDerWaalsContact C-N 3.27Å; K796-E798 PolarHBondContact O-N 2.98Å; K796-A799 HydrophobicContact CB-CB 4.44Å; K796-A799 WeakPolarHBondContact O-CA 3.41Å; K796-A799 VanDerWaalsContact O-CB 3.31Å; K796-A799 WeakPolarHBondContact O-CB 3.27Å; K796-A799 PolarHBondContact O-N 3.02Å; K796-V800 PolarHBondContact O-N 3.17Å; K796-V800 VanDerWaalsContact O-N 3.09Å; K796-W884 HydrophobicContact CD-CE3 4.28Å; K796-W884 WeakPolarHBondContact CD-O 3.32Å
797	D	95.3	Very high	95.7	Very high	47 Å²	47	15 Å²	15	25%	0.251	8%	0.075	S	C	.	.	H	α-helix	trans	-55.4	-42.6	176.9	-91.4	19.4	0	0	0	112.2	K783 A799 V800 E801	K783-D797 HydrophobicContact CD-CB 4.39Å; K783-D797 WeakPolarHBondContact CD-OD2 3.3Å; K783-D797 VanDerWaalsContact CE-CG 3.44Å; K783-D797 VanDerWaalsContact CE-OD2 3.3Å; K783-D797 WeakPolarHBondContact CE-OD2 3.38Å; K783-D797 VanDerWaalsContact NZ-CG 3.34Å; K783-D797 IonicContact NZ-OD2 3.15Å; K783-D797 PolarHBondContact NZ-OD2 3.49Å; D797-A799 VanDerWaalsContact C-N 3.26Å; D797-A799 PolarHBondContact O-N 3.01Å; D797-V800 PolarHBondContact O-N 3.04Å; D797-V800 VanDerWaalsContact O-N 3.17Å; D797-E801 WeakPolarHBondContact O-CB 3.42Å; D797-E801 VanDerWaalsContact O-CG 3.24Å; D797-E801 WeakPolarHBondContact O-CG 3.33Å; D797-E801 PolarHBondContact O-N 3.32Å
798	E	96.6	Very high	95.9	Very high	36 Å²	36	15 Å²	15	17%	0.168	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-32.7	177.7	-59.9	89.8	163.5	0	0	112.1	K796 E801 L802 W884	K796-E798 VanDerWaalsContact C-N 3.27Å; K796-E798 PolarHBondContact O-N 2.98Å; E798-E801 PolarHBondContact O-N 2.98Å; E798-L802 WeakPolarHBondContact O-CG 3.39Å; E798-L802 PolarHBondContact O-N 2.98Å; E798-W884 HydrophobicContact CB-CD2 3.54Å; E798-W884 HydrophobicContact CB-CE3 3.63Å; E798-W884 HydrophobicContact CB-CG 3.93Å; E798-W884 HydrophobicContact CB-CH2 4.42Å; E798-W884 HydrophobicContact CB-CZ2 4.34Å; E798-W884 HydrophobicContact CB-CZ3 4.06Å; E798-W884 HydrophobicContact CG-CD2 4.15Å; E798-W884 HydrophobicContact CG-CE3 3.82Å; E798-W884 HydrophobicContact CG-CH2 4Å; E798-W884 HydrophobicContact CG-CZ2 4.29Å; E798-W884 HydrophobicContact CG-CZ3 3.72Å
799	A	98	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.1	-44.3	174.7	0	0	0	0	0	110.9	L795 K796 D797 E801 L802 I803 L873 W884 T885	L795-A799 HydrophobicContact CD1-CB 3.71Å; L795-A799 HydrophobicContact CG-CB 4.26Å; K796-A799 HydrophobicContact CB-CB 4.44Å; K796-A799 WeakPolarHBondContact O-CA 3.41Å; K796-A799 VanDerWaalsContact O-CB 3.31Å; K796-A799 WeakPolarHBondContact O-CB 3.27Å; K796-A799 PolarHBondContact O-N 3.02Å; D797-A799 VanDerWaalsContact C-N 3.26Å; D797-A799 PolarHBondContact O-N 3.01Å; A799-E801 VanDerWaalsContact C-N 3.31Å; A799-E801 PolarHBondContact O-N 3.1Å; A799-L802 PolarHBondContact O-N 3.41Å; A799-I803 WeakPolarHBondContact O-CD1 3.34Å; A799-I803 WeakPolarHBondContact O-CG1 3.16Å; A799-I803 PolarHBondContact O-N 2.94Å; A799-L873 HydrophobicContact CB-CD1 3.6Å; A799-W884 HydrophobicContact CB-CB 3.99Å; A799-T885 HydrophobicContact CB-CG2 3.9Å
800	V	98.4	Very high	96	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-43.9	174.2	-178.5	0	0	0	0	110.7	A782 K783 I786 L795 K796 D797 I803 V804 F827	A782-V800 HydrophobicContact CB-CG1 3.73Å; K783-V800 HydrophobicContact CG-CB 4.16Å; K783-V800 HydrophobicContact CG-CG1 3.82Å; I786-V800 HydrophobicContact CG1-CG2 4.1Å; L795-V800 HydrophobicContact CD2-CG2 3.65Å; L795-V800 HydrophobicContact CG-CG2 3.84Å; K796-V800 PolarHBondContact O-N 3.17Å; K796-V800 VanDerWaalsContact O-N 3.09Å; D797-V800 PolarHBondContact O-N 3.04Å; D797-V800 VanDerWaalsContact O-N 3.17Å; V800-I803 PolarHBondContact O-N 2.82Å; V800-V804 HydrophobicContact CG1-CG2 4.49Å; V800-V804 WeakPolarHBondContact O-CG2 3.45Å; V800-V804 PolarHBondContact O-N 3.49Å; V800-F827 HydrophobicContact CG1-CE2 4.21Å; V800-F827 HydrophobicContact CG1-CZ 4.24Å
801	E	98.4	Very high	96	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-44.6	178.5	-73.7	172.4	-173.2	0	0	112.6	H761 M765 I779 K783 D797 E798 A799 V804 L805	H761-E801 IonicContact CD2-OE2 3.5Å; H761-E801 IonicContact CE1-OE2 3.1Å; H761-E801 IonicContact NE2-OE2 3.98Å; H761-E801 PolarHBondContact NE2-OE2 3.25Å; M765-E801 HydrophobicContact CE-CB 4.21Å; M765-E801 HydrophobicContact SD-CB 4.35Å; I779-E801 HydrophobicContact CD1-CB 4.38Å; I779-E801 HydrophobicContact CD1-CG 4.16Å; I779-E801 HydrophobicContact CG1-CG 4.44Å; I779-E801 HydrophobicContact CG2-CG 3.59Å; K783-E801 WeakPolarHBondContact CE-OE1 3.19Å; K783-E801 IonicContact NZ-OE1 3.25Å; K783-E801 PolarHBondContact NZ-OE1 2.9Å; D797-E801 WeakPolarHBondContact O-CB 3.42Å; D797-E801 VanDerWaalsContact O-CG 3.24Å; D797-E801 WeakPolarHBondContact O-CG 3.33Å; D797-E801 PolarHBondContact O-N 3.32Å; E798-E801 PolarHBondContact O-N 2.98Å; A799-E801 VanDerWaalsContact C-N 3.31Å; A799-E801 PolarHBondContact O-N 3.1Å; E801-V804 PolarHBondContact O-N 3.25Å; E801-L805 WeakPolarHBondContact O-CB 3.47Å; E801-L805 PolarHBondContact O-N 3.42Å
802	L	98.5	Very high	95.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-39.9	177.4	-72.5	177.3	0	0	0	112.8	M765 E798 A799 V804 L805 S806 V843 L873 T875 W884	M765-L802 HydrophobicContact CE-CD2 4.08Å; E798-L802 WeakPolarHBondContact O-CG 3.39Å; E798-L802 PolarHBondContact O-N 2.98Å; A799-L802 PolarHBondContact O-N 3.41Å; L802-V804 VanDerWaalsContact C-N 3.33Å; L802-L805 HydrophobicContact CD2-CD2 4.48Å; L802-L805 PolarHBondContact O-N 2.96Å; L802-S806 PolarHBondContact O-N 3.47Å; L802-V843 HydrophobicContact CB-CG2 4.33Å; L802-V843 HydrophobicContact CD2-CG1 4.22Å; L802-L873 HydrophobicContact CB-CD1 4.23Å; L802-L873 HydrophobicContact CD1-CB 4.18Å; L802-L873 HydrophobicContact CD1-CD1 4.45Å; L802-T875 HydrophobicContact CD1-CG2 3.96Å; L802-T875 HydrophobicContact CD2-CG2 3.94Å; L802-W884 VanDerWaalsContact CD1-CD1 3.45Å
803	I	98.6	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-41.8	176.1	-65	166.4	0	0	0	110.2	A799 V800 S806 F827 L830 L831 W836 L841 L873	A799-I803 WeakPolarHBondContact O-CD1 3.34Å; A799-I803 WeakPolarHBondContact O-CG1 3.16Å; A799-I803 PolarHBondContact O-N 2.94Å; V800-I803 PolarHBondContact O-N 2.82Å; I803-S806 PolarHBondContact O-OG 3.34Å; I803-F827 HydrophobicContact CB-CD2 4.42Å; I803-F827 HydrophobicContact CB-CE2 4.22Å; I803-F827 HydrophobicContact CG2-CD2 3.68Å; I803-F827 HydrophobicContact CG2-CE2 3.73Å; I803-L830 HydrophobicContact CG2-CD2 3.7Å; I803-L831 HydrophobicContact CD1-CD2 4.25Å; I803-W836 HydrophobicContact CD1-CH2 4.4Å; I803-W836 HydrophobicContact CG1-CH2 4.38Å; I803-L841 HydrophobicContact CB-CD2 4.4Å; I803-L841 HydrophobicContact CG1-CD2 4.1Å; I803-L841 HydrophobicContact CG2-CD2 4.42Å; I803-L873 HydrophobicContact CD1-CD1 4.39Å; I803-L873 HydrophobicContact CD1-CD2 4.19Å; I803-L873 HydrophobicContact CG1-CD1 4.1Å; I803-L873 HydrophobicContact CG1-CD2 3.58Å
804	V	98.5	Very high	96	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-43.5	175.1	174.4	0	0	0	0	110.5	L775 T778 I779 A782 V800 E801 L802 S806 L807 F808 F827	L775-V804 HydrophobicContact CD1-CG1 3.95Å; T778-V804 HydrophobicContact CG2-CG1 3.51Å; I779-V804 HydrophobicContact CG1-CB 3.87Å; I779-V804 HydrophobicContact CG1-CG1 3.68Å; I779-V804 HydrophobicContact CG1-CG2 4.4Å; A782-V804 HydrophobicContact CB-CG2 3.63Å; V800-V804 HydrophobicContact CG1-CG2 4.49Å; V800-V804 WeakPolarHBondContact O-CG2 3.45Å; V800-V804 PolarHBondContact O-N 3.49Å; E801-V804 PolarHBondContact O-N 3.25Å; L802-V804 VanDerWaalsContact C-N 3.33Å; V804-S806 VanDerWaalsContact C-N 3.27Å; V804-S806 PolarHBondContact O-N 2.87Å; V804-L807 VanDerWaalsContact O-CB 3.29Å; V804-L807 WeakPolarHBondContact O-CB 3.25Å; V804-L807 PolarHBondContact O-N 2.91Å; V804-L807 VanDerWaalsContact O-N 3.09Å; V804-F808 HydrophobicContact CG1-CD2 4.37Å; V804-F808 HydrophobicContact CG1-CE2 3.92Å; V804-F808 WeakPolarHBondContact O-CD2 3.36Å; V804-F827 HydrophobicContact CG2-CB 4.41Å; V804-F827 HydrophobicContact CG2-CD2 3.65Å; V804-F827 HydrophobicContact CG2-CE2 4.19Å; V804-F827 HydrophobicContact CG2-CG 4.17Å
805	L	98.2	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-35.8	-178.9	176.6	60.9	0	0	0	112.6	M765 L768 L775 E801 L802 L807 F808 L809 V843 I845	M765-L805 HydrophobicContact CE-CB 4.25Å; M765-L805 HydrophobicContact CE-CD2 3.49Å; M765-L805 VanDerWaalsContact CE-CD2 3.49Å; M765-L805 HydrophobicContact CE-CG 4.44Å; M765-L805 HydrophobicContact SD-CD2 4.47Å; L768-L805 HydrophobicContact CB-CD1 4.27Å; L768-L805 HydrophobicContact CD1-CD1 3.77Å; L768-L805 HydrophobicContact CD1-CD2 3.63Å; L768-L805 HydrophobicContact CD1-CG 4.35Å; L768-L805 HydrophobicContact CG-CD1 4.47Å; L775-L805 HydrophobicContact CD1-CD1 4.41Å; L775-L805 HydrophobicContact CD2-CD1 3.86Å; E801-L805 WeakPolarHBondContact O-CB 3.47Å; E801-L805 PolarHBondContact O-N 3.42Å; L802-L805 HydrophobicContact CD2-CD2 4.48Å; L802-L805 PolarHBondContact O-N 2.96Å; L805-L807 PolarHBondContact O-N 3.5Å; L805-F808 PolarHBondContact O-N 3.03Å; L805-L809 HydrophobicContact CD1-CD1 4.08Å; L805-L809 HydrophobicContact CD1-CD2 4.31Å; L805-L809 HydrophobicContact CD1-CG 3.87Å; L805-L809 HydrophobicContact CD2-CD1 4.06Å; L805-L809 HydrophobicContact CG-CD1 3.79Å; L805-L809 HydrophobicContact CG-CG 4.04Å; L805-L809 PolarHBondContact O-N 2.78Å; L805-L809 VanDerWaalsContact O-N 3.1Å; L805-V843 HydrophobicContact CB-CG1 4.39Å; L805-V843 HydrophobicContact CD2-CG1 3.89Å; L805-V843 HydrophobicContact CG-CG1 4.01Å; L805-I845 HydrophobicContact CD2-CD1 4.27Å; L805-I845 HydrophobicContact CD2-CG1 4.18Å
806	S	97.2	Very high	95.9	Very high	7 Å²	7	22.6 Å²	22.6	5%	0.049	12%	0.123	C	C	.	.	H	α-helix	trans	-57.4	-32.8	177.7	77.3	0	0	0	0	112.3	L802 I803 V804 F808 L809 C810	L802-S806 PolarHBondContact O-N 3.47Å; I803-S806 PolarHBondContact O-OG 3.34Å; V804-S806 VanDerWaalsContact C-N 3.27Å; V804-S806 PolarHBondContact O-N 2.87Å; S806-F808 PolarHBondContact O-N 3.15Å; S806-L809 PolarHBondContact O-N 3.17Å; S806-C810 PolarHBondContact O-N 3.43Å
807	L	97	Very high	95.8	Very high	19 Å²	19	18.6 Å²	18.6	10%	0.099	11%	0.105	C	C	.	.	H	α-helix	trans	-69.3	-21.5	178.3	-54.8	170.3	0	0	0	113.4	V804 L805 P817 R826 F827 L830	V804-L807 VanDerWaalsContact O-CB 3.29Å; V804-L807 WeakPolarHBondContact O-CB 3.25Å; V804-L807 PolarHBondContact O-N 2.91Å; V804-L807 VanDerWaalsContact O-N 3.09Å; L805-L807 PolarHBondContact O-N 3.5Å; L807-P817 WeakPolarHBondContact O-CD 3.33Å; L807-R826 HydrophobicContact CD1-CB 4.05Å; L807-R826 HydrophobicContact CD2-CB 4.15Å; L807-F827 HydrophobicContact CD1-CB 3.88Å; L807-L830 HydrophobicContact CD2-CB 4.26Å; L807-L830 HydrophobicContact CD2-CD2 3.89Å; L807-L830 HydrophobicContact CG-CD2 4.42Å
808	F	96.5	Very high	95.5	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-93	-35.7	178.8	-74.2	-103.1	0	0	0	111.6	F772 A774 L775 T778 V804 L805 S806 S816 P817	F772-F808 HydrophobicContact CB-CD1 3.68Å; F772-F808 HydrophobicContact CB-CE1 4.05Å; F772-F808 HydrophobicContact CD1-CB 4.46Å; F772-F808 AromaticContact CD1-CD1 3.84Å; F772-F808 HydrophobicContact CD1-CD1 3.84Å; F772-F808 HydrophobicContact CD2-CB 3.99Å; F772-F808 HydrophobicContact CD2-CD1 4.19Å; F772-F808 HydrophobicContact CD2-CG 4.45Å; F772-F808 HydrophobicContact CE1-CB 4.41Å; F772-F808 HydrophobicContact CE1-CD1 4.5Å; F772-F808 HydrophobicContact CE2-CB 3.93Å; F772-F808 HydrophobicContact CG-CB 4.26Å; F772-F808 AromaticContact CG-CD1 3.66Å; F772-F808 HydrophobicContact CG-CD1 3.66Å; F772-F808 HydrophobicContact CG-CE1 4.49Å; F772-F808 HydrophobicContact CG-CG 4.35Å; F772-F808 HydrophobicContact CZ-CB 4.15Å; A774-F808 HydrophobicContact CB-CE1 4.22Å; A774-F808 HydrophobicContact CB-CZ 4.33Å; L775-F808 HydrophobicContact CB-CD1 4.25Å; L775-F808 HydrophobicContact CB-CE1 4Å; L775-F808 HydrophobicContact CB-CE2 4.45Å; L775-F808 HydrophobicContact CB-CZ 4.12Å; L775-F808 HydrophobicContact CD1-CD1 4.5Å; L775-F808 HydrophobicContact CD1-CD2 3.56Å; L775-F808 HydrophobicContact CD1-CE2 3.67Å; L775-F808 HydrophobicContact CD1-CG 4.01Å; L775-F808 HydrophobicContact CD1-CZ 4.19Å; T778-F808 HydrophobicContact CG2-CE2 4.28Å; V804-F808 HydrophobicContact CG1-CD2 4.37Å; V804-F808 HydrophobicContact CG1-CE2 3.92Å; V804-F808 WeakPolarHBondContact O-CD2 3.36Å; L805-F808 PolarHBondContact O-N 3.03Å; S806-F808 PolarHBondContact O-N 3.15Å; F808-S816 PolarHBondContact O-OG 2.86Å; F808-P817 HydrophobicContact CD2-CG 4.38Å; F808-P817 HydrophobicContact CE1-CB 4.01Å; F808-P817 HydrophobicContact CE1-CG 4.26Å; F808-P817 WeakPolarHBondContact CE1-O 3.49Å; F808-P817 HydrophobicContact CE2-CB 4.33Å; F808-P817 HydrophobicContact CE2-CG 4.01Å; F808-P817 HydrophobicContact CZ-CB 3.78Å; F808-P817 HydrophobicContact CZ-CG 3.94Å
809	L	94.5	Very high	95.1	Very high	46 Å²	46	18 Å²	18	24%	0.241	10%	0.098	C	C	.	.	H	α-helix	trans	-79.5	-38.2	179.8	-64.1	-178.8	0	0	0	113.1	L768 F772 L805 S806 P811 V843 I845	L768-L809 HydrophobicContact CD2-CD2 4.17Å; F772-L809 HydrophobicContact CE2-CD2 4.1Å; F772-L809 HydrophobicContact CZ-CD2 4.49Å; L805-L809 HydrophobicContact CD1-CD1 4.08Å; L805-L809 HydrophobicContact CD1-CD2 4.31Å; L805-L809 HydrophobicContact CD1-CG 3.87Å; L805-L809 HydrophobicContact CD2-CD1 4.06Å; L805-L809 HydrophobicContact CG-CD1 3.79Å; L805-L809 HydrophobicContact CG-CG 4.04Å; L805-L809 PolarHBondContact O-N 2.78Å; L805-L809 VanDerWaalsContact O-N 3.1Å; S806-L809 PolarHBondContact O-N 3.17Å; L809-P811 WeakPolarHBondContact O-CD 3.01Å; L809-V843 HydrophobicContact CD1-CG1 3.88Å; L809-I845 HydrophobicContact CD1-CG1 4.18Å
810	C	90.8	Very high	94.6	Very high	76 Å²	76	18.3 Å²	18.3	51%	0.514	10%	0.1	S	C	.	.	S	Bend	trans	-126.5	71.9	-179.6	-59.9	0	0	0	0	109.2	S806 F812	S806-C810 PolarHBondContact O-N 3.43Å; C810-F812 PolarHBondContact O-N 3.05Å
811	P	93.1	Very high	94.1	Very high	32 Å²	32	18.5 Å²	18.5	21%	0.208	10%	0.1	C	C	.	.			trans	-78.8	-16.4	-167.5	32.7	-38.6	0	0	0	114.7	L809 Y814 T815 S816	L809-P811 WeakPolarHBondContact O-CD 3.01Å; P811-Y814 CarbonylContact C-O 3.24Å; P811-Y814 WeakPolarHBondContact CB-O 3.46Å; P811-Y814 CarbonylContact O-C 3.5Å; P811-Y814 WeakPolarHBondContact O-CA 3.29Å; P811-Y814 WeakPolarHBondContact O-CB 3.39Å; P811-Y814 PolarHBondContact O-N 3.32Å; P811-Y814 VanDerWaalsContact O-O 3.08Å; P811-T815 VanDerWaalsContact CB-C 3.45Å; P811-S816 VanDerWaalsContact CB-N 3.35Å
812	F	93.5	Very high	93.7	Very high	46 Å²	46	18.4 Å²	18.4	20%	0.202	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	135.7	-177.8	-177.5	-96.4	0	0	0	110.8	A384 T393 L397 C810 Y814	A384-F812 HydrophobicContact CB-CB 4.42Å; A384-F812 HydrophobicContact CB-CD1 3.97Å; A384-F812 HydrophobicContact CB-CD2 3.34Å; A384-F812 HydrophobicContact CB-CE1 4.04Å; A384-F812 HydrophobicContact CB-CE2 3.46Å; A384-F812 VanDerWaalsContact CB-CE2 3.46Å; A384-F812 HydrophobicContact CB-CG 3.63Å; A384-F812 HydrophobicContact CB-CZ 3.82Å; T393-F812 WeakPolarHBondContact O-CE1 3.26Å; L397-F812 HydrophobicContact CD2-CZ 3.98Å; L397-F812 HydrophobicContact CG-CZ 4.06Å; C810-F812 PolarHBondContact O-N 3.05Å; F812-Y814 VanDerWaalsContact C-N 3.35Å; F812-Y814 PolarHBondContact N-O 3.32Å
813	P	93.5	Very high	93.4	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.019	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82	11.1	10.5	33.3	-37.8	0	0	0	116.7	Q400 L402	Q400-P813 VanDerWaalsContact CD-CG 3.49Å; Q400-P813 HydrophobicContact CG-CG 4.28Å; Q400-P813 VanDerWaalsContact OE1-CD 3.27Å; L402-P813 HydrophobicContact CD1-CB 4.19Å; L402-P813 HydrophobicContact CD1-CG 4.47Å; L402-P813 HydrophobicContact CD2-CB 3.89Å; L402-P813 HydrophobicContact CD2-CG 3.29Å; L402-P813 HydrophobicContact CG-CG 4.49Å
814	Y	94.7	Very high	93.2	Very high	18 Å²	18	18.4 Å²	18.4	7%	0.071	10%	0.1	C	C	.	.	S	Bend	trans	-106.7	176.6	177.1	-51.4	-72.3	0	0	0	112.2	L402 E406 K407 P811 F812 R826	L402-Y814 HydrophobicContact CB-CE1 4.05Å; L402-Y814 HydrophobicContact CD1-CE1 4.46Å; L402-Y814 HydrophobicContact CD2-CD1 4.49Å; L402-Y814 HydrophobicContact CD2-CE1 3.72Å; L402-Y814 HydrophobicContact CD2-CE2 4.43Å; L402-Y814 HydrophobicContact CG-CE1 4.28Å; E406-Y814 HydrophobicContact CB-CE1 4.07Å; E406-Y814 WeakPolarHBondContact CB-OH 3.31Å; E406-Y814 PolarHBondContact OE2-OH 3.32Å; K407-Y814 HydrophobicContact CB-CD1 4.47Å; K407-Y814 HydrophobicContact CB-CE1 4.37Å; P811-Y814 CarbonylContact C-O 3.24Å; P811-Y814 WeakPolarHBondContact CB-O 3.46Å; P811-Y814 CarbonylContact O-C 3.5Å; P811-Y814 WeakPolarHBondContact O-CA 3.29Å; P811-Y814 WeakPolarHBondContact O-CB 3.39Å; P811-Y814 PolarHBondContact O-N 3.32Å; P811-Y814 VanDerWaalsContact O-O 3.08Å; F812-Y814 VanDerWaalsContact C-N 3.35Å; F812-Y814 PolarHBondContact N-O 3.32Å; Y814-R826 HydrophobicContact CD2-CG 4.31Å; Y814-R826 HydrophobicContact CE2-CG 4.13Å
815	T	93.3	Very high	92.9	Very high	30 Å²	30	18.5 Å²	18.5	18%	0.184	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-84.8	159.9	160	55.2	0	0	0	0	110.7	L380 P811 R826	L380-T815 HydrophobicContact CD1-CG2 4.13Å; L380-T815 HydrophobicContact CD2-CG2 4.07Å; P811-T815 VanDerWaalsContact CB-C 3.45Å; T815-R826 PolarHBondContact O-NH1 3.07Å
816	S	93.9	Very high	92.7	Very high	25 Å²	25	18.8 Å²	18.8	18%	0.175	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-55.3	132.6	176.8	-53.7	0	0	0	0	110.9	F808 P811 R818	F808-S816 PolarHBondContact O-OG 2.86Å; P811-S816 VanDerWaalsContact CB-N 3.35Å; S816-R818 PolarHBondContact O-N 2.87Å
817	P	93	Very high	92.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-55.4	132.7	-178.1	-21.4	29.3	0	0	0	111.6	L807 F808	L807-P817 WeakPolarHBondContact O-CD 3.33Å; F808-P817 HydrophobicContact CD2-CG 4.38Å; F808-P817 HydrophobicContact CE1-CB 4.01Å; F808-P817 HydrophobicContact CE1-CG 4.26Å; F808-P817 WeakPolarHBondContact CE1-O 3.49Å; F808-P817 HydrophobicContact CE2-CB 4.33Å; F808-P817 HydrophobicContact CE2-CG 4.01Å; F808-P817 HydrophobicContact CZ-CB 3.78Å; F808-P817 HydrophobicContact CZ-CG 3.94Å
818	R	90.5	Very high	92.7	Very high	63 Å²	63	17.6 Å²	17.6	24%	0.238	10%	0.095	C	C	.	.	S	Bend	trans	-105.9	-2.4	172.7	-57.6	-58.1	-175.2	88.4	19.3	112.9	D409 M494 E495 S496 N497 Q499 A774 S816	D409-R818 PolarHBondContact OD1-N 2.6Å; M494-R818 HydrophobicContact CB-CB 3.87Å; M494-R818 HydrophobicContact CB-CG 4.13Å; M494-R818 HydrophobicContact CG-CB 4.35Å; E495-R818 VanDerWaalsContact O-CZ 3.3Å; E495-R818 PolarHBondContact O-NH1 3.2Å; E495-R818 PolarHBondContact O-NH2 3.14Å; S496-R818 VanDerWaalsContact C-NH1 3.26Å; N497-R818 PolarHBondContact OD1-NH1 2.61Å; Q499-R818 PolarHBondContact OE1-O 2.86Å; A774-R818 WeakPolarHBondContact CB-O 3.38Å; S816-R818 PolarHBondContact O-N 2.87Å
819	H	88.1	Confident	92.7	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.032	10%	0.103	C	C	.	.	S	Bend	trans	-137	146.8	175.7	-175.6	-110.9	0	0	0	111.7	D409 I410 Q499 D573 F821 S822 G823	D409-H819 HydrophobicContact CB-CB 3.76Å; D409-H819 WeakPolarHBondContact O-CB 3.49Å; D409-H819 PolarHBondContact O-ND1 2.89Å; I410-H819 HydrophobicContact CG1-CB 4.22Å; Q499-H819 PolarHBondContact NE2-CD2 2.92Å; D573-H819 IonicContact OD1-NE2 3.15Å; H819-F821 WeakPolarHBondContact ND1-CB 3.39Å; H819-F821 PolarHBondContact ND1-N 2.63Å; H819-F821 PolarHBondContact O-N 3.31Å; H819-S822 PolarHBondContact O-N 2.78Å; H819-S822 PolarHBondContact O-OG 3.21Å; H819-G823 PolarHBondContact O-N 3.4Å
820	H	87.3	Confident	92.7	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-30.4	-173.2	70.2	86.7	0	0	0	113.5	T778 F824	T778-H820 WeakPolarHBondContact OG1-CA 3.19Å; H820-F824 VanDerWaalsContact O-CB 3.25Å; H820-F824 WeakPolarHBondContact O-CB 3.49Å; H820-F824 PolarHBondContact O-N 3.34Å
821	F	86.8	Confident	93.1	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.013	7%	0.073	C	C	.	.	H	α-helix	trans	-69.9	-45.5	-178.5	-173.7	-90.6	0	0	0	112.1	N572 L575 I576 H819 F824 L825	N572-F821 HydrophobicContact CB-CD1 3.96Å; N572-F821 HydrophobicContact CB-CD2 4.14Å; N572-F821 HydrophobicContact CB-CE1 3.97Å; N572-F821 HydrophobicContact CB-CE2 4.23Å; N572-F821 HydrophobicContact CB-CG 4.03Å; N572-F821 HydrophobicContact CB-CZ 4.15Å; N572-F821 WeakPolarHBondContact ND2-CD1 3.26Å; L575-F821 HydrophobicContact CB-CE2 4.35Å; L575-F821 HydrophobicContact CD1-CE2 4.28Å; I576-F821 HydrophobicContact CD1-CD2 3.2Å; I576-F821 HydrophobicContact CD1-CE2 3.51Å; I576-F821 HydrophobicContact CD1-CG 4.24Å; I576-F821 HydrophobicContact CG1-CD2 3.69Å; I576-F821 HydrophobicContact CG1-CE2 4.01Å; H819-F821 WeakPolarHBondContact ND1-CB 3.39Å; H819-F821 PolarHBondContact ND1-N 2.63Å; H819-F821 PolarHBondContact O-N 3.31Å; F821-F824 PolarHBondContact O-N 2.88Å; F821-L825 HydrophobicContact CD1-CD1 3.91Å; F821-L825 HydrophobicContact CD1-CG 4.2Å; F821-L825 HydrophobicContact CE1-CD1 3.38Å; F821-L825 HydrophobicContact CE1-CD2 4.43Å; F821-L825 HydrophobicContact CE1-CG 3.87Å; F821-L825 HydrophobicContact CZ-CD1 4.06Å; F821-L825 HydrophobicContact CZ-CD2 4.35Å; F821-L825 HydrophobicContact CZ-CG 4.25Å; F821-L825 PolarHBondContact O-N 3.01Å
822	S	89.4	Confident	93.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-43.3	177.3	55.6	0	0	0	0	110.3	D409 H819 F824 L825 R826	D409-S822 PolarHBondContact OD1-OG 2.97Å; D409-S822 VanDerWaalsContact OD1-OG 3.05Å; H819-S822 PolarHBondContact O-N 2.78Å; H819-S822 PolarHBondContact O-OG 3.21Å; S822-F824 VanDerWaalsContact C-N 3.31Å; S822-F824 PolarHBondContact O-N 3.34Å; S822-L825 PolarHBondContact O-N 3.18Å; S822-R826 VanDerWaalsContact O-CG 3.27Å; S822-R826 WeakPolarHBondContact O-CG 3.17Å; S822-R826 PolarHBondContact O-N 2.79Å; S822-R826 VanDerWaalsContact O-N 3.09Å
823	G	93.3	Very high	93.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.3	-40.7	172.9	0	0	0	0	0	113	T778 H819 R826 F827	T778-G823 VanDerWaalsContact CG2-C 3.4Å; H819-G823 PolarHBondContact O-N 3.4Å; G823-R826 PolarHBondContact O-N 2.85Å; G823-F827 WeakPolarHBondContact O-CB 3.28Å; G823-F827 PolarHBondContact O-N 2.99Å
824	F	93.4	Very high	93.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.9	-43.2	178.5	174	-114.6	0	0	0	113.3	I576 T781 W785 H820 F821 S822 R826 F827 L828 L908 F926	I576-F824 HydrophobicContact CD1-CD1 3.35Å; I576-F824 HydrophobicContact CD1-CE1 3.79Å; I576-F824 HydrophobicContact CD1-CG 4.21Å; T781-F824 HydrophobicContact CG2-CB 3.71Å; T781-F824 HydrophobicContact CG2-CD1 4.1Å; T781-F824 HydrophobicContact CG2-CD2 3.58Å; T781-F824 HydrophobicContact CG2-CE2 4.17Å; T781-F824 HydrophobicContact CG2-CG 3.51Å; W785-F824 HydrophobicContact CB-CE2 3.53Å; W785-F824 HydrophobicContact CB-CZ 3.8Å; W785-F824 AromaticContact CD1-CZ 3.66Å; W785-F824 HydrophobicContact CD2-CE2 4.35Å; W785-F824 HydrophobicContact CD2-CZ 4.41Å; W785-F824 AromaticContact CG-CE2 3.74Å; W785-F824 HydrophobicContact CG-CE2 3.74Å; W785-F824 AromaticContact CG-CZ 3.67Å; W785-F824 HydrophobicContact CG-CZ 3.67Å; H820-F824 VanDerWaalsContact O-CB 3.25Å; H820-F824 WeakPolarHBondContact O-CB 3.49Å; H820-F824 PolarHBondContact O-N 3.34Å; F821-F824 PolarHBondContact O-N 2.88Å; S822-F824 VanDerWaalsContact C-N 3.31Å; S822-F824 PolarHBondContact O-N 3.34Å; F824-R826 VanDerWaalsContact C-N 3.29Å; F824-R826 PolarHBondContact O-N 3Å; F824-F827 HydrophobicContact CD2-CD1 4.13Å; F824-F827 HydrophobicContact CE2-CD1 4.25Å; F824-F827 WeakPolarHBondContact O-CB 3.44Å; F824-F827 PolarHBondContact O-N 3.42Å; F824-L828 HydrophobicContact CD1-CD1 4.31Å; F824-L828 HydrophobicContact CD2-CG 4.44Å; F824-L828 HydrophobicContact CE1-CD1 3.67Å; F824-L828 HydrophobicContact CE1-CG 4.31Å; F824-L828 HydrophobicContact CE2-CD1 4.19Å; F824-L828 HydrophobicContact CE2-CD2 3.99Å; F824-L828 HydrophobicContact CE2-CG 3.97Å; F824-L828 HydrophobicContact CZ-CD1 3.61Å; F824-L828 HydrophobicContact CZ-CD2 4.03Å; F824-L828 HydrophobicContact CZ-CG 3.92Å; F824-L828 WeakPolarHBondContact O-CG 3.46Å; F824-L828 PolarHBondContact O-N 3.45Å; F824-L908 HydrophobicContact CE1-CD1 3.92Å; F824-F926 HydrophobicContact CE1-CE2 4.05Å; F824-F926 AromaticContact CE1-CZ 3.97Å; F824-F926 HydrophobicContact CE1-CZ 3.97Å; F824-F926 HydrophobicContact CE2-CZ 4.37Å; F824-F926 HydrophobicContact CZ-CE2 4.08Å; F824-F926 AromaticContact CZ-CZ 3.72Å; F824-F926 HydrophobicContact CZ-CZ 3.72Å
825	L	92.4	Very high	93.1	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-43	175.3	-72.1	-177.6	0	0	0	111.1	A405 E406 F821 S822 F827 L828 R829 L908	A405-L825 HydrophobicContact CB-CD1 3.79Å; E406-L825 HydrophobicContact CG-CB 3.94Å; E406-L825 HydrophobicContact CG-CD1 4.33Å; F821-L825 HydrophobicContact CD1-CD1 3.91Å; F821-L825 HydrophobicContact CD1-CG 4.2Å; F821-L825 HydrophobicContact CE1-CD1 3.38Å; F821-L825 HydrophobicContact CE1-CD2 4.43Å; F821-L825 HydrophobicContact CE1-CG 3.87Å; F821-L825 HydrophobicContact CZ-CD1 4.06Å; F821-L825 HydrophobicContact CZ-CD2 4.35Å; F821-L825 HydrophobicContact CZ-CG 4.25Å; F821-L825 PolarHBondContact O-N 3.01Å; S822-L825 PolarHBondContact O-N 3.18Å; L825-F827 VanDerWaalsContact C-N 3.34Å; L825-F827 PolarHBondContact O-N 2.81Å; L825-L828 PolarHBondContact O-N 2.81Å; L825-R829 PolarHBondContact O-N 3.33Å; L825-L908 HydrophobicContact CD2-CB 3.97Å; L825-L908 HydrophobicContact CD2-CD1 3.86Å
826	R	95.4	Very high	93.2	Very high	6 Å²	6	19.9 Å²	19.9	2%	0.023	10%	0.098	C	C	.	.	H	α-helix	trans	-66.6	-34.3	177.1	-66.2	175.8	-165.4	179.3	6.6	112.6	E406 L807 Y814 T815 S822 G823 F824 R829 L830	E406-R826 HydrophobicContact CB-CG 4.32Å; E406-R826 VanDerWaalsContact O-CZ 3.23Å; E406-R826 PolarHBondContact O-NE 3.31Å; E406-R826 PolarHBondContact O-NH2 3.49Å; L807-R826 HydrophobicContact CD1-CB 4.05Å; L807-R826 HydrophobicContact CD2-CB 4.15Å; Y814-R826 HydrophobicContact CD2-CG 4.31Å; Y814-R826 HydrophobicContact CE2-CG 4.13Å; T815-R826 PolarHBondContact O-NH1 3.07Å; S822-R826 VanDerWaalsContact O-CG 3.27Å; S822-R826 WeakPolarHBondContact O-CG 3.17Å; S822-R826 PolarHBondContact O-N 2.79Å; S822-R826 VanDerWaalsContact O-N 3.09Å; G823-R826 PolarHBondContact O-N 2.85Å; F824-R826 VanDerWaalsContact C-N 3.29Å; F824-R826 PolarHBondContact O-N 3Å; R826-R829 PolarHBondContact O-N 3.28Å; R826-L830 WeakPolarHBondContact O-CB 3.04Å; R826-L830 PolarHBondContact O-N 2.73Å
827	F	97.4	Very high	93.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-47.4	170.5	164.8	-99	0	0	0	111.9	A782 W785 I786 V800 I803 V804 L807 G823 F824 L825 R829 L830 L831	A782-F827 HydrophobicContact CB-CD1 3.82Å; A782-F827 HydrophobicContact CB-CD2 4.2Å; A782-F827 HydrophobicContact CB-CE1 3.76Å; A782-F827 HydrophobicContact CB-CE2 4.16Å; A782-F827 HydrophobicContact CB-CG 4.03Å; A782-F827 HydrophobicContact CB-CZ 3.92Å; W785-F827 AromaticContact CE3-CE1 3.95Å; W785-F827 HydrophobicContact CE3-CE1 3.95Å; W785-F827 HydrophobicContact CZ3-CE1 4.28Å; I786-F827 HydrophobicContact CD1-CZ 4.26Å; I786-F827 HydrophobicContact CG1-CZ 4.23Å; V800-F827 HydrophobicContact CG1-CE2 4.21Å; V800-F827 HydrophobicContact CG1-CZ 4.24Å; I803-F827 HydrophobicContact CB-CD2 4.42Å; I803-F827 HydrophobicContact CB-CE2 4.22Å; I803-F827 HydrophobicContact CG2-CD2 3.68Å; I803-F827 HydrophobicContact CG2-CE2 3.73Å; V804-F827 HydrophobicContact CG2-CB 4.41Å; V804-F827 HydrophobicContact CG2-CD2 3.65Å; V804-F827 HydrophobicContact CG2-CE2 4.19Å; V804-F827 HydrophobicContact CG2-CG 4.17Å; L807-F827 HydrophobicContact CD1-CB 3.88Å; G823-F827 WeakPolarHBondContact O-CB 3.28Å; G823-F827 PolarHBondContact O-N 2.99Å; F824-F827 HydrophobicContact CD2-CD1 4.13Å; F824-F827 HydrophobicContact CE2-CD1 4.25Å; F824-F827 WeakPolarHBondContact O-CB 3.44Å; F824-F827 PolarHBondContact O-N 3.42Å; L825-F827 VanDerWaalsContact C-N 3.34Å; L825-F827 PolarHBondContact O-N 2.81Å; F827-R829 VanDerWaalsContact C-N 3.34Å; F827-R829 PolarHBondContact O-N 3.02Å; F827-L830 PolarHBondContact O-N 3.25Å; F827-L831 HydrophobicContact CD1-CD1 4.28Å; F827-L831 HydrophobicContact CE1-CD1 3.62Å; F827-L831 HydrophobicContact CE2-CD1 3.89Å; F827-L831 HydrophobicContact CE2-CG 4.26Å; F827-L831 HydrophobicContact CZ-CD1 3.41Å; F827-L831 VanDerWaalsContact CZ-CD1 3.41Å; F827-L831 HydrophobicContact CZ-CG 4.26Å; F827-L831 WeakPolarHBondContact O-CG 3.42Å; F827-L831 PolarHBondContact O-N 2.96Å
828	L	96.4	Very high	93.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-44.4	175.1	-64	177.1	0	0	0	111	W785 F824 L825 L830 L831 A832 A901 A904 I905 L908	W785-L828 HydrophobicContact CD2-CD2 3.72Å; W785-L828 HydrophobicContact CE3-CD2 3.84Å; W785-L828 HydrophobicContact CG-CD2 4.42Å; W785-L828 HydrophobicContact CH2-CD2 3.76Å; W785-L828 HydrophobicContact CZ2-CD2 3.64Å; W785-L828 HydrophobicContact CZ3-CD2 3.86Å; F824-L828 HydrophobicContact CD1-CD1 4.31Å; F824-L828 HydrophobicContact CD2-CG 4.44Å; F824-L828 HydrophobicContact CE1-CD1 3.67Å; F824-L828 HydrophobicContact CE1-CG 4.31Å; F824-L828 HydrophobicContact CE2-CD1 4.19Å; F824-L828 HydrophobicContact CE2-CD2 3.99Å; F824-L828 HydrophobicContact CE2-CG 3.97Å; F824-L828 HydrophobicContact CZ-CD1 3.61Å; F824-L828 HydrophobicContact CZ-CD2 4.03Å; F824-L828 HydrophobicContact CZ-CG 3.92Å; F824-L828 WeakPolarHBondContact O-CG 3.46Å; F824-L828 PolarHBondContact O-N 3.45Å; L825-L828 PolarHBondContact O-N 2.81Å; L828-L830 PolarHBondContact O-N 3.34Å; L828-L831 PolarHBondContact O-N 2.9Å; L828-A832 VanDerWaalsContact O-CB 3.27Å; L828-A832 WeakPolarHBondContact O-CB 3.16Å; L828-A832 PolarHBondContact O-N 3.44Å; L828-A901 HydrophobicContact CB-CB 4.48Å; L828-A901 HydrophobicContact CD2-CB 4.22Å; L828-A904 HydrophobicContact CD1-CB 3.86Å; L828-A904 HydrophobicContact CD2-CB 4.39Å; L828-I905 HydrophobicContact CB-CD1 4.08Å; L828-I905 HydrophobicContact CB-CG1 3.69Å; L828-I905 HydrophobicContact CD1-CG1 4.46Å; L828-L908 HydrophobicContact CD1-CD1 3.76Å
829	R	95.1	Very high	93.2	Very high	50 Å²	50	28.4 Å²	28.4	19%	0.189	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-50	178	-178	65.8	65.3	-167.8	1.4	111.2	E406 L825 R826 F827 L831 A832 T833 I905 E909	E406-R829 IonicContact OE1-CZ 2.91Å; E406-R829 VanDerWaalsContact OE1-CZ 3.29Å; E406-R829 IonicContact OE1-NE 3.35Å; E406-R829 PolarHBondContact OE1-NE 3.17Å; E406-R829 IonicContact OE1-NH2 2.66Å; E406-R829 PolarHBondContact OE1-NH2 3.43Å; E406-R829 IonicContact OE2-NE 3.47Å; L825-R829 PolarHBondContact O-N 3.33Å; R826-R829 PolarHBondContact O-N 3.28Å; F827-R829 VanDerWaalsContact C-N 3.34Å; F827-R829 PolarHBondContact O-N 3.02Å; R829-L831 PolarHBondContact O-N 2.72Å; R829-A832 PolarHBondContact O-N 3.46Å; R829-A832 VanDerWaalsContact O-N 3.07Å; R829-T833 PolarHBondContact O-N 2.72Å; R829-T833 PolarHBondContact O-OG1 3.18Å; R829-I905 VanDerWaalsContact CA-CD1 3.5Å; R829-I905 HydrophobicContact CB-CD1 4.24Å; R829-E909 IonicContact CZ-OE2 3.45Å; R829-E909 IonicContact NH2-OE1 2.77Å; R829-E909 PolarHBondContact NH2-OE1 3.4Å; R829-E909 IonicContact NH2-OE2 3.05Å; R829-E909 PolarHBondContact NH2-OE2 3.48Å
830	L	96.6	Very high	93.6	Very high	24 Å²	24	28.2 Å²	28.2	13%	0.126	14%	0.142	C	C	.	.	H	α-helix	trans	-56.8	-48.5	178	-176.1	68.2	0	0	0	111	I803 L807 R826 F827 L828 A832 Y834 L841	I803-L830 HydrophobicContact CG2-CD2 3.7Å; L807-L830 HydrophobicContact CD2-CB 4.26Å; L807-L830 HydrophobicContact CD2-CD2 3.89Å; L807-L830 HydrophobicContact CG-CD2 4.42Å; R826-L830 WeakPolarHBondContact O-CB 3.04Å; R826-L830 PolarHBondContact O-N 2.73Å; F827-L830 PolarHBondContact O-N 3.25Å; L828-L830 PolarHBondContact O-N 3.34Å; L830-A832 VanDerWaalsContact C-N 3.32Å; L830-A832 PolarHBondContact O-N 2.92Å; L830-Y834 HydrophobicContact CD1-CD2 3.69Å; L830-Y834 HydrophobicContact CD1-CE2 4.47Å; L830-Y834 HydrophobicContact CD1-CG 3.97Å; L830-Y834 WeakPolarHBondContact O-CB 3.08Å; L830-Y834 PolarHBondContact O-N 2.87Å; L830-L841 HydrophobicContact CD1-CD1 4.31Å; L830-L841 HydrophobicContact CD2-CD1 4.3Å; L830-L841 HydrophobicContact CD2-CD2 3.98Å
831	L	98.1	Very high	94	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-58.6	-43.7	174.6	-71.8	176.9	0	0	0	112.3	W785 I803 F827 L828 R829 W836 F871 I897 C898 A901	W785-L831 HydrophobicContact CZ3-CD1 4.07Å; I803-L831 HydrophobicContact CD1-CD2 4.25Å; F827-L831 HydrophobicContact CD1-CD1 4.28Å; F827-L831 HydrophobicContact CE1-CD1 3.62Å; F827-L831 HydrophobicContact CE2-CD1 3.89Å; F827-L831 HydrophobicContact CE2-CG 4.26Å; F827-L831 HydrophobicContact CZ-CD1 3.41Å; F827-L831 VanDerWaalsContact CZ-CD1 3.41Å; F827-L831 HydrophobicContact CZ-CG 4.26Å; F827-L831 WeakPolarHBondContact O-CG 3.42Å; F827-L831 PolarHBondContact O-N 2.96Å; L828-L831 PolarHBondContact O-N 2.9Å; R829-L831 PolarHBondContact O-N 2.72Å; L831-W836 HydrophobicContact CD2-CZ2 4.07Å; L831-W836 PolarHBondContact O-NE1 2.68Å; L831-F871 HydrophobicContact CD2-CZ 4.42Å; L831-I897 HydrophobicContact CD1-CG2 4.01Å; L831-I897 HydrophobicContact CD2-CG2 4.26Å; L831-C898 WeakPolarHBondContact O-CB 3.29Å; L831-C898 PolarHBondContact O-SG 3.22Å; L831-A901 HydrophobicContact CB-CB 3.74Å; L831-A901 HydrophobicContact CD1-CB 4.34Å
832	A	96.1	Very high	94.4	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-75.5	-30.4	-171.8	0	0	0	0	0	114.6	L828 R829 L830 A901 R902 I905	L828-A832 VanDerWaalsContact O-CB 3.27Å; L828-A832 WeakPolarHBondContact O-CB 3.16Å; L828-A832 PolarHBondContact O-N 3.44Å; R829-A832 PolarHBondContact O-N 3.46Å; R829-A832 VanDerWaalsContact O-N 3.07Å; L830-A832 VanDerWaalsContact C-N 3.32Å; L830-A832 PolarHBondContact O-N 2.92Å; A832-A901 HydrophobicContact CB-CB 4.1Å; A832-R902 HydrophobicContact CB-CB 4Å; A832-R902 PolarHBondContact O-NH2 3.13Å; A832-I905 HydrophobicContact CB-CD1 3.66Å
833	T	93.2	Very high	94.8	Very high	87 Å²	87	29.4 Å²	29.4	53%	0.534	15%	0.15	S	C	.	.	H	α-helix	trans	-124.4	-12.6	-168.7	65.8	0	0	0	0	114.8	R829	R829-T833 PolarHBondContact O-N 2.72Å; R829-T833 PolarHBondContact O-OG1 3.18Å
834	Y	94	Very high	94.8	Very high	48 Å²	48	31 Å²	31	19%	0.188	16%	0.158	C	C	.	.	S	Bend	trans	-68.6	140.5	177.8	-168.1	-99.5	0	0	0	111.4	L830 W836 N839 P840 L841	L830-Y834 HydrophobicContact CD1-CD2 3.69Å; L830-Y834 HydrophobicContact CD1-CE2 4.47Å; L830-Y834 HydrophobicContact CD1-CG 3.97Å; L830-Y834 WeakPolarHBondContact O-CB 3.08Å; L830-Y834 PolarHBondContact O-N 2.87Å; Y834-W836 VanDerWaalsContact C-N 3.33Å; Y834-W836 AromaticContact CD1-CD2 3.73Å; Y834-W836 HydrophobicContact CD1-CD2 3.73Å; Y834-W836 AromaticContact CD1-CE2 3.89Å; Y834-W836 AromaticContact CD1-CE3 3.92Å; Y834-W836 HydrophobicContact CD1-CE3 3.92Å; Y834-W836 HydrophobicContact CD1-CG 4.13Å; Y834-W836 HydrophobicContact CD1-CH2 4.45Å; Y834-W836 HydrophobicContact CD1-CZ2 4.25Å; Y834-W836 HydrophobicContact CD1-CZ3 4.29Å; Y834-W836 HydrophobicContact CE1-CE3 4.29Å; Y834-W836 PolarHBondContact O-N 3.21Å; Y834-N839 HydrophobicContact CE1-CB 4.11Å; Y834-N839 WeakPolarHBondContact OH-CB 3.34Å; Y834-P840 PolarHBondContact OH-O 2.72Å; Y834-L841 HydrophobicContact CE1-CB 4.35Å; Y834-L841 HydrophobicContact CE2-CD1 4.31Å
835	D	92.5	Very high	94.9	Very high	66 Å²	66	31.4 Å²	31.4	35%	0.353	16%	0.16	S	C	.	.			trans	-84.2	77.8	179.2	-176.2	3.3	0	0	0	111.5	T837 F838 N839	D835-T837 PolarHBondContact O-N 3.36Å; D835-T837 VanDerWaalsContact O-N 3.12Å; D835-T837 WeakPolarHBondContact OD1-CB 3.33Å; D835-T837 PolarHBondContact OD1-N 2.6Å; D835-T837 VanDerWaalsContact OD1-N 3.1Å; D835-F838 PolarHBondContact O-N 3.25Å; D835-F838 WeakPolarHBondContact OD1-CD2 3.15Å; D835-F838 PolarHBondContact OD1-N 2.92Å; D835-F838 VanDerWaalsContact OD1-N 3.14Å; D835-F838 WeakPolarHBondContact OD2-CB 3.3Å; D835-F838 VanDerWaalsContact OD2-CD2 3.22Å; D835-F838 WeakPolarHBondContact OD2-CD2 3.4Å; D835-N839 WeakPolarHBondContact O-CB 3.49Å; D835-N839 PolarHBondContact O-N 2.62Å
836	W	95	Very high	94.8	Very high	20 Å²	20	34.7 Å²	34.7	8%	0.076	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-12	175.2	-57.7	101.1	0	0	0	113.8	I803 L831 Y834 L841 R865 F871 L873	I803-W836 HydrophobicContact CD1-CH2 4.4Å; I803-W836 HydrophobicContact CG1-CH2 4.38Å; L831-W836 HydrophobicContact CD2-CZ2 4.07Å; L831-W836 PolarHBondContact O-NE1 2.68Å; Y834-W836 VanDerWaalsContact C-N 3.33Å; Y834-W836 AromaticContact CD1-CD2 3.73Å; Y834-W836 HydrophobicContact CD1-CD2 3.73Å; Y834-W836 AromaticContact CD1-CE2 3.89Å; Y834-W836 AromaticContact CD1-CE3 3.92Å; Y834-W836 HydrophobicContact CD1-CE3 3.92Å; Y834-W836 HydrophobicContact CD1-CG 4.13Å; Y834-W836 HydrophobicContact CD1-CH2 4.45Å; Y834-W836 HydrophobicContact CD1-CZ2 4.25Å; Y834-W836 HydrophobicContact CD1-CZ3 4.29Å; Y834-W836 HydrophobicContact CE1-CE3 4.29Å; Y834-W836 PolarHBondContact O-N 3.21Å; W836-L841 HydrophobicContact CH2-CB 4.34Å; W836-L841 HydrophobicContact CH2-CD2 3.97Å; W836-L841 HydrophobicContact CZ3-CB 3.95Å; W836-L841 HydrophobicContact CZ3-CD2 4.37Å; W836-R865 PolarHBondContact O-NH2 2.98Å; W836-F871 HydrophobicContact CB-CD1 4.39Å; W836-F871 AromaticContact CD1-CE1 3.99Å; W836-F871 AromaticContact CD2-CD1 3.42Å; W836-F871 HydrophobicContact CD2-CD1 3.42Å; W836-F871 VanDerWaalsContact CD2-CD1 3.42Å; W836-F871 AromaticContact CD2-CE1 3.73Å; W836-F871 HydrophobicContact CD2-CE1 3.73Å; W836-F871 AromaticContact CE2-CD1 3.84Å; W836-F871 AromaticContact CE2-CE1 3.78Å; W836-F871 HydrophobicContact CE3-CB 4.24Å; W836-F871 AromaticContact CE3-CD1 3.49Å; W836-F871 HydrophobicContact CE3-CD1 3.49Å; W836-F871 VanDerWaalsContact CE3-CD1 3.49Å; W836-F871 HydrophobicContact CE3-CE1 4.26Å; W836-F871 HydrophobicContact CE3-CG 4.23Å; W836-F871 AromaticContact CG-CD1 3.85Å; W836-F871 HydrophobicContact CG-CD1 3.85Å; W836-F871 AromaticContact CG-CE1 3.88Å; W836-F871 HydrophobicContact CG-CE1 3.88Å; W836-F871 HydrophobicContact CH2-CD1 4.3Å; W836-F871 HydrophobicContact CZ2-CD1 4.28Å; W836-F871 HydrophobicContact CZ2-CE1 4.35Å; W836-F871 HydrophobicContact CZ3-CB 4.16Å; W836-F871 AromaticContact CZ3-CD1 3.94Å; W836-F871 HydrophobicContact CZ3-CD1 3.94Å; W836-F871 HydrophobicContact CZ3-CG 4.3Å; W836-F871 AromaticContact NE1-CE1 3.93Å; W836-L873 HydrophobicContact CH2-CD2 4.37Å; W836-L873 HydrophobicContact CZ3-CD2 4.08Å
837	T	93.4	Very high	94.6	Very high	79 Å²	79	36.9 Å²	36.9	49%	0.485	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-48	-179.9	-55	0	0	0	0	109.9	D835 R865	D835-T837 PolarHBondContact O-N 3.36Å; D835-T837 VanDerWaalsContact O-N 3.12Å; D835-T837 WeakPolarHBondContact OD1-CB 3.33Å; D835-T837 PolarHBondContact OD1-N 2.6Å; D835-T837 VanDerWaalsContact OD1-N 3.1Å; T837-R865 VanDerWaalsContact O-CD 3.3Å; T837-R865 WeakPolarHBondContact O-CD 3.41Å; T837-R865 PolarHBondContact O-NE 3.2Å
838	F	91.4	Very high	94.3	Very high	138 Å²	138	42.3 Å²	42.3	61%	0.605	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-11.9	-172.7	-60.3	-75.3	0	0	0	114.4	D835 F861	D835-F838 PolarHBondContact O-N 3.25Å; D835-F838 WeakPolarHBondContact OD1-CD2 3.15Å; D835-F838 PolarHBondContact OD1-N 2.92Å; D835-F838 VanDerWaalsContact OD1-N 3.14Å; D835-F838 WeakPolarHBondContact OD2-CB 3.3Å; D835-F838 VanDerWaalsContact OD2-CD2 3.22Å; D835-F838 WeakPolarHBondContact OD2-CD2 3.4Å; F838-F861 WeakPolarHBondContact O-CE1 3.45Å
839	N	92.5	Very high	94.2	Very high	52 Å²	52	42.7 Å²	42.7	28%	0.278	25%	0.246	S	C	.	.			trans	-129.5	136.6	-177.4	-64	-78.2	0	0	0	113.3	Y834 D835	Y834-N839 HydrophobicContact CE1-CB 4.11Å; Y834-N839 WeakPolarHBondContact OH-CB 3.34Å; D835-N839 WeakPolarHBondContact O-CB 3.49Å; D835-N839 PolarHBondContact O-N 2.62Å
840	P	95.7	Very high	94	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.013	27%	0.268	C	S	.	.			trans	-81.7	144.1	164.7	32.7	-29.8	0	0	0	110.8	Y834 V842 F861 C872 V874	Y834-P840 PolarHBondContact OH-O 2.72Å; P840-V842 PolarHBondContact O-N 3.3Å; P840-F861 HydrophobicContact CB-CD2 3.74Å; P840-F861 HydrophobicContact CB-CE2 3.97Å; P840-F861 HydrophobicContact CB-CG 4.08Å; P840-F861 HydrophobicContact CB-CZ 4.49Å; P840-F861 HydrophobicContact CG-CB 4.09Å; P840-F861 HydrophobicContact CG-CD1 4.25Å; P840-F861 HydrophobicContact CG-CD2 4.06Å; P840-F861 HydrophobicContact CG-CG 3.86Å; P840-C872 HydrophobicContact CB-CB 4.18Å; P840-V874 HydrophobicContact CB-CG2 3.79Å; P840-V874 HydrophobicContact CG-CG2 4.41Å
841	L	96.6	Very high	93.5	Very high	11 Å²	11	49 Å²	49	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	109.3	172.9	-176.4	65.4	0	0	0	109.6	I803 L830 Y834 W836 C872 L873 V874	I803-L841 HydrophobicContact CB-CD2 4.4Å; I803-L841 HydrophobicContact CG1-CD2 4.1Å; I803-L841 HydrophobicContact CG2-CD2 4.42Å; L830-L841 HydrophobicContact CD1-CD1 4.31Å; L830-L841 HydrophobicContact CD2-CD1 4.3Å; L830-L841 HydrophobicContact CD2-CD2 3.98Å; Y834-L841 HydrophobicContact CE1-CB 4.35Å; Y834-L841 HydrophobicContact CE2-CD1 4.31Å; W836-L841 HydrophobicContact CH2-CB 4.34Å; W836-L841 HydrophobicContact CH2-CD2 3.97Å; W836-L841 HydrophobicContact CZ3-CB 3.95Å; W836-L841 HydrophobicContact CZ3-CD2 4.37Å; L841-C872 PolarHBondContact N-O 2.93Å; L841-L873 HydrophobicContact CB-CD2 4.14Å; L841-L873 HydrophobicContact CD2-CD2 3.9Å; L841-L873 CarbonylContact O-C 3.34Å; L841-V874 PolarHBondContact O-N 3.28Å
842	V	95.3	Very high	93.1	Very high	26 Å²	26	55.5 Å²	55.5	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117	-180	-176.5	0	0	0	0	110.7	P840 N844 L849 I854 V874	P840-V842 PolarHBondContact O-N 3.3Å; V842-N844 HydrophobicContact CG1-CB 4.36Å; V842-L849 HydrophobicContact CG1-CD1 3.99Å; V842-I854 HydrophobicContact CG1-CG1 4.4Å; V842-V874 HydrophobicContact CG1-CG1 4.33Å; V842-V874 HydrophobicContact CG2-CB 4.28Å; V842-V874 HydrophobicContact CG2-CG1 4.39Å
843	V	96.4	Very high	93	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.319	C	S	.	.			trans	-106.1	83.8	175.2	-167.1	0	0	0	0	108	L802 L805 L809 I845 V874 T875	L802-V843 HydrophobicContact CB-CG2 4.33Å; L802-V843 HydrophobicContact CD2-CG1 4.22Å; L805-V843 HydrophobicContact CB-CG1 4.39Å; L805-V843 HydrophobicContact CD2-CG1 3.89Å; L805-V843 HydrophobicContact CG-CG1 4.01Å; L809-V843 HydrophobicContact CD1-CG1 3.88Å; V843-I845 VanDerWaalsContact C-N 3.3Å; V843-I845 HydrophobicContact CG1-CG1 4.17Å; V843-I845 PolarHBondContact O-N 3.05Å; V843-V874 WeakPolarHBondContact CA-O 3.48Å; V843-V874 WeakPolarHBondContact CB-O 3.42Å; V843-V874 PolarHBondContact N-O 2.94Å; V843-T875 HydrophobicContact CB-CG2 4.31Å
844	N	94.3	Very high	92.9	Very high	32 Å²	32	53.5 Å²	53.5	17%	0.171	30%	0.297	C	S	.	.			trans	-78.7	73.6	-173.3	-168.7	7.2	0	0	0	112.4	V842 G846 G847 Q848 L849	V842-N844 HydrophobicContact CG1-CB 4.36Å; N844-G846 PolarHBondContact O-N 3.37Å; N844-G847 PolarHBondContact O-N 3.39Å; N844-G847 WeakPolarHBondContact OD1-CA 3.46Å; N844-Q848 PolarHBondContact OD1-N 2.85Å; N844-L849 PolarHBondContact ND2-O 3.2Å; N844-L849 WeakPolarHBondContact OD1-CB 3.29Å; N844-L849 PolarHBondContact OD1-N 3.47Å
845	I	94.7	Very high	92.8	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.051	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.1	119.3	-177.8	-59.6	172.8	0	0	0	110.1	H764 L768 L805 L809 V843 G847 Q848 T875 P876	H764-I845 HydrophobicContact CB-CD1 4.23Å; H764-I845 HydrophobicContact CB-CG2 4.33Å; L768-I845 HydrophobicContact CD1-CG2 4.26Å; L805-I845 HydrophobicContact CD2-CD1 4.27Å; L805-I845 HydrophobicContact CD2-CG1 4.18Å; L809-I845 HydrophobicContact CD1-CG1 4.18Å; V843-I845 VanDerWaalsContact C-N 3.3Å; V843-I845 HydrophobicContact CG1-CG1 4.17Å; V843-I845 PolarHBondContact O-N 3.05Å; I845-G847 PolarHBondContact O-N 3.34Å; I845-Q848 WeakPolarHBondContact O-CG 3.43Å; I845-T875 HydrophobicContact CD1-CG2 4.48Å; I845-P876 HydrophobicContact CB-CG 4.45Å
846	G	90.9	Very high	92.9	Very high	71 Å²	71	54.6 Å²	54.6	73%	0.732	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	69	14.8	178.1	0	0	0	0	0	115.1	N844 Q848	N844-G846 PolarHBondContact O-N 3.37Å; G846-Q848 VanDerWaalsContact C-N 3.26Å; G846-Q848 PolarHBondContact O-N 2.89Å
847	G	90.1	Very high	92.9	Very high	52 Å²	52	53.8 Å²	53.8	54%	0.536	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	66	25.6	-179.9	0	0	0	0	0	114	N844 I845	N844-G847 PolarHBondContact O-N 3.39Å; N844-G847 WeakPolarHBondContact OD1-CA 3.46Å; I845-G847 PolarHBondContact O-N 3.34Å
848	Q	92.8	Very high	92.9	Very high	114 Å²	114	51.4 Å²	51.4	53%	0.533	29%	0.291	S	S	.	.			trans	-72.6	-27.8	-175.5	-66.9	178.9	11.9	0	0	113.6	N844 I845 G846 P876	N844-Q848 PolarHBondContact OD1-N 2.85Å; I845-Q848 WeakPolarHBondContact O-CG 3.43Å; G846-Q848 VanDerWaalsContact C-N 3.26Å; G846-Q848 PolarHBondContact O-N 2.89Å; Q848-P876 HydrophobicContact CB-CB 3.95Å; Q848-P876 HydrophobicContact CB-CG 3.82Å; Q848-P876 HydrophobicContact CG-CG 4.44Å
849	L	92.6	Very high	93	Very high	8 Å²	8	51 Å²	51	4%	0.042	29%	0.286	C	S	.	.	S	Bend	trans	-87.4	121.4	174.2	-60.8	172.2	0	0	0	109	V842 N844 D853 I854 I857 V874 P876	V842-L849 HydrophobicContact CG1-CD1 3.99Å; N844-L849 PolarHBondContact ND2-O 3.2Å; N844-L849 WeakPolarHBondContact OD1-CB 3.29Å; N844-L849 PolarHBondContact OD1-N 3.47Å; L849-D853 HydrophobicContact CB-CB 4.35Å; L849-D853 HydrophobicContact CD2-CB 4.17Å; L849-I854 HydrophobicContact CB-CG1 4.13Å; L849-I857 HydrophobicContact CD1-CD1 4.09Å; L849-I857 HydrophobicContact CD2-CD1 4.01Å; L849-V874 HydrophobicContact CD1-CG1 4.11Å; L849-P876 HydrophobicContact CG-CB 4.45Å; L849-P876 HydrophobicContact CG-CG 4.2Å
850	K	91.4	Very high	93.1	Very high	149 Å²	149	52.2 Å²	52.2	65%	0.648	29%	0.29	S	S	*	.			trans	-83.2	170.5	173.9	-61	-179.5	179.5	179.7	0	110.8	D852 D853 I854	K850-D852 VanDerWaalsContact C-N 3.3Å; K850-D852 PolarHBondContact O-N 3.21Å; K850-D853 WeakPolarHBondContact CB-OD2 3.43Å; K850-D853 PolarHBondContact N-OD2 3.4Å; K850-D853 WeakPolarHBondContact O-CB 3.36Å; K850-D853 PolarHBondContact O-N 2.93Å; K850-D853 VanDerWaalsContact O-N 3.08Å; K850-I854 WeakPolarHBondContact O-CG1 3.47Å; K850-I854 PolarHBondContact O-N 3.46Å
851	N	86.8	Confident	93.1	Very high	57 Å²	57	52.5 Å²	52.5	31%	0.305	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-42.4	179.1	-68.5	-19.2	0	0	0	112.4	E388 Q389 D853 I854 A855	E388-N851 WeakPolarHBondContact CB-ND2 3.44Å; E388-N851 PolarHBondContact OE2-ND2 3.08Å; Q389-N851 PolarHBondContact NE2-OD1 3.23Å; N851-D853 PolarHBondContact O-N 3.37Å; N851-I854 PolarHBondContact O-N 3.16Å; N851-A855 PolarHBondContact O-N 3.05Å
852	D	90.3	Very high	93	Very high	139 Å²	139	59.6 Å²	59.6	74%	0.743	32%	0.317	S	S	*	.	H	α-helix	trans	-61.9	-40.9	175.5	-65.8	-25.8	0	0	0	112.5	K850 I854 A855 E856	K850-D852 VanDerWaalsContact C-N 3.3Å; K850-D852 PolarHBondContact O-N 3.21Å; D852-I854 VanDerWaalsContact C-N 3.34Å; D852-I854 PolarHBondContact O-N 3.49Å; D852-A855 PolarHBondContact O-N 3.34Å; D852-E856 WeakPolarHBondContact O-CB 3.43Å; D852-E856 PolarHBondContact O-N 3.22Å
853	D	93.6	Very high	93	Very high	35 Å²	35	64.3 Å²	64.3	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-43.3	175.7	-64.3	-67.2	0	0	0	110.6	L849 K850 N851 E856 I857 R879	L849-D853 HydrophobicContact CB-CB 4.35Å; L849-D853 HydrophobicContact CD2-CB 4.17Å; K850-D853 WeakPolarHBondContact CB-OD2 3.43Å; K850-D853 PolarHBondContact N-OD2 3.4Å; K850-D853 WeakPolarHBondContact O-CB 3.36Å; K850-D853 PolarHBondContact O-N 2.93Å; K850-D853 VanDerWaalsContact O-N 3.08Å; N851-D853 PolarHBondContact O-N 3.37Å; D853-E856 PolarHBondContact O-N 2.94Å; D853-I857 WeakPolarHBondContact O-CB 3.24Å; D853-I857 WeakPolarHBondContact O-CD1 3.46Å; D853-I857 WeakPolarHBondContact O-CG1 3.4Å; D853-I857 PolarHBondContact O-N 3.49Å; D853-R879 IonicContact OD1-CZ 2.92Å; D853-R879 IonicContact OD1-NH1 3.92Å; D853-R879 IonicContact OD1-NH2 3.1Å; D853-R879 PolarHBondContact OD1-NH2 3.46Å
854	I	91.6	Very high	93	Very high	15 Å²	15	67.4 Å²	67.4	8%	0.077	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-42.2	179.6	-66.1	169.4	0	0	0	110.6	V842 L849 K850 N851 D852 I857 K858	V842-I854 HydrophobicContact CG1-CG1 4.4Å; L849-I854 HydrophobicContact CB-CG1 4.13Å; K850-I854 WeakPolarHBondContact O-CG1 3.47Å; K850-I854 PolarHBondContact O-N 3.46Å; N851-I854 PolarHBondContact O-N 3.16Å; D852-I854 VanDerWaalsContact C-N 3.34Å; D852-I854 PolarHBondContact O-N 3.49Å; I854-I857 PolarHBondContact O-N 3.26Å; I854-K858 HydrophobicContact CG2-CD 4.46Å; I854-K858 WeakPolarHBondContact O-CG 3.5Å; I854-K858 PolarHBondContact O-N 3.32Å
855	A	90.2	Very high	93	Very high	56 Å²	56	68.4 Å²	68.4	46%	0.463	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-42.6	177.1	0	0	0	0	0	111.8	N851 D852 K858 R859	N851-A855 PolarHBondContact O-N 3.05Å; D852-A855 PolarHBondContact O-N 3.34Å; A855-K858 PolarHBondContact O-N 2.95Å; A855-R859 PolarHBondContact O-N 2.84Å
856	E	94.9	Very high	92.9	Very high	81 Å²	81	74.1 Å²	74.1	38%	0.379	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-47.1	173.7	172.2	162.1	-122.1	0	0	112.1	D852 D853 K858 R859 E860 R879	D852-E856 WeakPolarHBondContact O-CB 3.43Å; D852-E856 PolarHBondContact O-N 3.22Å; D853-E856 PolarHBondContact O-N 2.94Å; E856-K858 VanDerWaalsContact C-N 3.34Å; E856-K858 PolarHBondContact O-N 2.94Å; E856-R859 WeakPolarHBondContact O-CB 3.05Å; E856-R859 PolarHBondContact O-N 3.48Å; E856-R859 VanDerWaalsContact O-N 3.12Å; E856-R859 IonicContact OE1-NH2 2.8Å; E856-R859 PolarHBondContact OE1-NH2 2.95Å; E856-R859 VanDerWaalsContact OE1-NH2 3.15Å; E856-E860 PolarHBondContact O-N 3.07Å; E856-R879 IonicContact OE2-NH1 2.89Å
857	I	95.2	Very high	93	Very high	3 Å²	3	75.3 Å²	75.3	2%	0.015	39%	0.393	C	S	.	.	H	α-helix	trans	-59.1	-45.3	177.9	-71.6	162.8	0	0	0	110.9	L849 D853 I854 R859 E860 F861 V874 R879	L849-I857 HydrophobicContact CD1-CD1 4.09Å; L849-I857 HydrophobicContact CD2-CD1 4.01Å; D853-I857 WeakPolarHBondContact O-CB 3.24Å; D853-I857 WeakPolarHBondContact O-CD1 3.46Å; D853-I857 WeakPolarHBondContact O-CG1 3.4Å; D853-I857 PolarHBondContact O-N 3.49Å; I854-I857 PolarHBondContact O-N 3.26Å; I857-R859 VanDerWaalsContact C-N 3.31Å; I857-R859 PolarHBondContact O-N 2.93Å; I857-E860 PolarHBondContact O-N 3.39Å; I857-F861 VanDerWaalsContact O-CB 3.25Å; I857-F861 WeakPolarHBondContact O-CB 3.33Å; I857-F861 PolarHBondContact O-N 3.24Å; I857-V874 HydrophobicContact CD1-CG1 4.02Å; I857-V874 HydrophobicContact CG2-CG1 4.07Å; I857-V874 HydrophobicContact CG2-CG2 3.92Å; I857-R879 HydrophobicContact CD1-CB 4.37Å; I857-R879 HydrophobicContact CD1-CG 4.08Å; I857-R879 HydrophobicContact CG1-CB 4.22Å; I857-R879 HydrophobicContact CG1-CG 4.31Å
858	K	93.1	Very high	93.2	Very high	28 Å²	28	73.6 Å²	73.6	12%	0.122	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-39.4	176.2	-77.3	-179.6	171.9	-178.6	0	111.7	D391 I854 A855 E856 R862	D391-K858 IonicContact OD2-NZ 2.81Å; D391-K858 PolarHBondContact OD2-NZ 3.12Å; D391-K858 VanDerWaalsContact OD2-NZ 3.1Å; I854-K858 HydrophobicContact CG2-CD 4.46Å; I854-K858 WeakPolarHBondContact O-CG 3.5Å; I854-K858 PolarHBondContact O-N 3.32Å; A855-K858 PolarHBondContact O-N 2.95Å; E856-K858 VanDerWaalsContact C-N 3.34Å; E856-K858 PolarHBondContact O-N 2.94Å; K858-R862 WeakPolarHBondContact O-CG 3.36Å; K858-R862 PolarHBondContact O-N 3.27Å; K858-R862 VanDerWaalsContact O-N 3.16Å; K858-R862 PolarHBondContact O-NE 3.06Å
859	R	93.7	Very high	93.4	Very high	130 Å²	130	68.8 Å²	68.8	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-48.6	176	-178	-177	64.5	-141.8	-2	111.3	A855 E856 I857 R862 N863	A855-R859 PolarHBondContact O-N 2.84Å; E856-R859 WeakPolarHBondContact O-CB 3.05Å; E856-R859 PolarHBondContact O-N 3.48Å; E856-R859 VanDerWaalsContact O-N 3.12Å; E856-R859 IonicContact OE1-NH2 2.8Å; E856-R859 PolarHBondContact OE1-NH2 2.95Å; E856-R859 VanDerWaalsContact OE1-NH2 3.15Å; I857-R859 VanDerWaalsContact C-N 3.31Å; I857-R859 PolarHBondContact O-N 2.93Å; R859-R862 PolarHBondContact O-N 2.71Å; R859-N863 PolarHBondContact O-N 2.92Å
860	E	95.5	Very high	93.6	Very high	77 Å²	77	69.6 Å²	69.6	36%	0.36	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-43.7	178.2	-171.9	178.8	-172.9	0	0	111.8	E856 I857 R862 N863 L864 L880	E856-E860 PolarHBondContact O-N 3.07Å; I857-E860 PolarHBondContact O-N 3.39Å; E860-R862 VanDerWaalsContact C-N 3.32Å; E860-R862 PolarHBondContact O-N 3.29Å; E860-N863 WeakPolarHBondContact O-CB 3.37Å; E860-N863 PolarHBondContact O-N 2.94Å; E860-N863 VanDerWaalsContact O-N 3.11Å; E860-L864 HydrophobicContact CG-CD1 3.89Å; E860-L864 HydrophobicContact CG-CG 4.46Å; E860-L864 PolarHBondContact O-N 3.37Å; E860-L880 HydrophobicContact CG-CD2 4.43Å
861	F	95.8	Very high	93.9	Very high	9 Å²	9	62.6 Å²	62.6	4%	0.039	33%	0.326	C	S	.	.	H	α-helix	trans	-54.5	-46.2	174.9	172.4	-93.1	0	0	0	112	F838 P840 I857 N863 L864 R865 L868 C872	F838-F861 WeakPolarHBondContact O-CE1 3.45Å; P840-F861 HydrophobicContact CB-CD2 3.74Å; P840-F861 HydrophobicContact CB-CE2 3.97Å; P840-F861 HydrophobicContact CB-CG 4.08Å; P840-F861 HydrophobicContact CB-CZ 4.49Å; P840-F861 HydrophobicContact CG-CB 4.09Å; P840-F861 HydrophobicContact CG-CD1 4.25Å; P840-F861 HydrophobicContact CG-CD2 4.06Å; P840-F861 HydrophobicContact CG-CG 3.86Å; I857-F861 VanDerWaalsContact O-CB 3.25Å; I857-F861 WeakPolarHBondContact O-CB 3.33Å; I857-F861 PolarHBondContact O-N 3.24Å; F861-N863 VanDerWaalsContact C-N 3.33Å; F861-N863 PolarHBondContact O-N 3.28Å; F861-L864 CarbonylContact O-C 3.55Å; F861-L864 PolarHBondContact O-N 3.11Å; F861-R865 WeakPolarHBondContact O-CA 3.39Å; F861-R865 WeakPolarHBondContact O-CB 3.4Å; F861-R865 PolarHBondContact O-N 3.47Å; F861-L868 HydrophobicContact CD2-CD1 3.66Å; F861-L868 HydrophobicContact CE2-CD1 4.17Å; F861-L868 HydrophobicContact CG-CD1 4.44Å; F861-C872 HydrophobicContact CD2-CB 4.2Å; F861-C872 HydrophobicContact CE2-CB 3.72Å
862	R	94.2	Very high	94.4	Very high	160 Å²	160	60 Å²	60	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-62.5	-40.1	177.9	-73.9	-177.6	-68.2	-149.9	1.4	112.1	K858 R859 E860	K858-R862 WeakPolarHBondContact O-CG 3.36Å; K858-R862 PolarHBondContact O-N 3.27Å; K858-R862 VanDerWaalsContact O-N 3.16Å; K858-R862 PolarHBondContact O-NE 3.06Å; R859-R862 PolarHBondContact O-N 2.71Å; E860-R862 VanDerWaalsContact C-N 3.32Å; E860-R862 PolarHBondContact O-N 3.29Å
863	N	95.4	Very high	94.8	Very high	125 Å²	125	53.4 Å²	53.4	67%	0.668	28%	0.277	S	S	*	.	H	α-helix	trans	-67.7	-37.5	178.7	-67.3	-16.4	0	0	0	112.4	R859 E860 F861	R859-N863 PolarHBondContact O-N 2.92Å; E860-N863 WeakPolarHBondContact O-CB 3.37Å; E860-N863 PolarHBondContact O-N 2.94Å; E860-N863 VanDerWaalsContact O-N 3.11Å; F861-N863 VanDerWaalsContact C-N 3.33Å; F861-N863 PolarHBondContact O-N 3.28Å
864	L	95.7	Very high	94.9	Very high	64 Å²	64	51.8 Å²	51.8	34%	0.335	27%	0.268	S	S	.	.	H	α-helix	trans	-96.8	0.4	-177	-63.6	178.6	0	0	0	113.8	E860 F861 P866 S867 L868 L880	E860-L864 HydrophobicContact CG-CD1 3.89Å; E860-L864 HydrophobicContact CG-CG 4.46Å; E860-L864 PolarHBondContact O-N 3.37Å; F861-L864 CarbonylContact O-C 3.55Å; F861-L864 PolarHBondContact O-N 3.11Å; L864-P866 VanDerWaalsContact C-N 3.32Å; L864-P866 WeakPolarHBondContact O-CD 3.27Å; L864-S867 PolarHBondContact O-N 3.12Å; L864-S867 PolarHBondContact O-OG 3.46Å; L864-L868 HydrophobicContact CB-CD1 3.99Å; L864-L868 HydrophobicContact CB-CG 4.17Å; L864-L868 PolarHBondContact O-N 2.83Å; L864-L880 HydrophobicContact CD1-CD2 3.8Å
865	R	94.4	Very high	95.1	Very high	54 Å²	54	51.5 Å²	51.5	20%	0.204	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-48	-41.9	-169.4	-178.2	62	-173.5	102.9	-16.6	115.5	W836 T837 F861 S867 L868	W836-R865 PolarHBondContact O-NH2 2.98Å; T837-R865 VanDerWaalsContact O-CD 3.3Å; T837-R865 WeakPolarHBondContact O-CD 3.41Å; T837-R865 PolarHBondContact O-NE 3.2Å; F861-R865 WeakPolarHBondContact O-CA 3.39Å; F861-R865 WeakPolarHBondContact O-CB 3.4Å; F861-R865 PolarHBondContact O-N 3.47Å; R865-S867 PolarHBondContact O-N 2.8Å; R865-L868 PolarHBondContact NH1-O 3.28Å; R865-L868 PolarHBondContact O-N 3.09Å
866	P	92.8	Very high	95.3	Very high	129 Å²	129	50 Å²	50	84%	0.838	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-64.2	-24.2	-179.6	-23.2	35.3	0	0	0	114.7	L864	L864-P866 VanDerWaalsContact C-N 3.32Å; L864-P866 WeakPolarHBondContact O-CD 3.27Å
867	S	92.6	Very high	95.2	Very high	96 Å²	96	49.8 Å²	49.8	67%	0.671	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-95.9	-7.5	179.4	66.6	0	0	0	0	113.6	L864 R865	L864-S867 PolarHBondContact O-N 3.12Å; L864-S867 PolarHBondContact O-OG 3.46Å; R865-S867 PolarHBondContact O-N 2.8Å
868	L	95.2	Very high	95.1	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.089	26%	0.255	C	S	.	.	S	Bend	trans	-93.7	148.9	-175.9	-68.9	176.6	0	0	0	112.6	F861 L864 R865 L880 N882	F861-L868 HydrophobicContact CD2-CD1 3.66Å; F861-L868 HydrophobicContact CE2-CD1 4.17Å; F861-L868 HydrophobicContact CG-CD1 4.44Å; L864-L868 HydrophobicContact CB-CD1 3.99Å; L864-L868 HydrophobicContact CB-CG 4.17Å; L864-L868 PolarHBondContact O-N 2.83Å; R865-L868 PolarHBondContact NH1-O 3.28Å; R865-L868 PolarHBondContact O-N 3.09Å; L868-L880 HydrophobicContact CD2-CB 4.43Å; L868-N882 HydrophobicContact CD2-CB 4.43Å
869	P	96.1	Very high	95.1	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.084	27%	0.266	C	S	.	.			trans	-63	158.9	178.5	27.2	-34.6	0	0	0	112	F871 C872 N882 T885	P869-F871 VanDerWaalsContact C-N 3.27Å; P869-F871 PolarHBondContact O-N 3.41Å; P869-C872 PolarHBondContact O-SG 3.18Å; P869-N882 HydrophobicContact CG-CB 3.71Å; P869-T885 WeakPolarHBondContact CB-O 3.36Å; P869-T885 WeakPolarHBondContact CG-OG1 3.36Å
870	P	96.8	Very high	95.1	Very high	24 Å²	24	50.2 Å²	50.2	16%	0.156	26%	0.257	C	S	.	.	S	Bend	trans	-55.9	-40.6	179.9	-25.5	34.3	0	0	0	113.5	P889 A891 A894	P870-P889 VanDerWaalsContact CD-O 3.28Å; P870-P889 WeakPolarHBondContact CD-O 3.32Å; P870-P889 WeakPolarHBondContact CG-O 3.29Å; P870-A891 HydrophobicContact CG-CB 4.17Å; P870-A894 HydrophobicContact CB-CB 3.45Å; P870-A894 VanDerWaalsContact CB-CB 3.45Å; P870-A894 HydrophobicContact CG-CB 3.91Å
871	F	97.8	Very high	95.1	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	24%	0.24	C	C	.	.	S	Bend	trans	-103.3	109.2	175.1	-60.5	-29.1	0	0	0	109.4	L795 L831 W836 P869 T885 P889 A894 I897	L795-F871 HydrophobicContact CD1-CD2 4.02Å; L795-F871 HydrophobicContact CD1-CE2 4.42Å; L831-F871 HydrophobicContact CD2-CZ 4.42Å; W836-F871 HydrophobicContact CB-CD1 4.39Å; W836-F871 AromaticContact CD1-CE1 3.99Å; W836-F871 AromaticContact CD2-CD1 3.42Å; W836-F871 HydrophobicContact CD2-CD1 3.42Å; W836-F871 VanDerWaalsContact CD2-CD1 3.42Å; W836-F871 AromaticContact CD2-CE1 3.73Å; W836-F871 HydrophobicContact CD2-CE1 3.73Å; W836-F871 AromaticContact CE2-CD1 3.84Å; W836-F871 AromaticContact CE2-CE1 3.78Å; W836-F871 HydrophobicContact CE3-CB 4.24Å; W836-F871 AromaticContact CE3-CD1 3.49Å; W836-F871 HydrophobicContact CE3-CD1 3.49Å; W836-F871 VanDerWaalsContact CE3-CD1 3.49Å; W836-F871 HydrophobicContact CE3-CE1 4.26Å; W836-F871 HydrophobicContact CE3-CG 4.23Å; W836-F871 AromaticContact CG-CD1 3.85Å; W836-F871 HydrophobicContact CG-CD1 3.85Å; W836-F871 AromaticContact CG-CE1 3.88Å; W836-F871 HydrophobicContact CG-CE1 3.88Å; W836-F871 HydrophobicContact CH2-CD1 4.3Å; W836-F871 HydrophobicContact CZ2-CD1 4.28Å; W836-F871 HydrophobicContact CZ2-CE1 4.35Å; W836-F871 HydrophobicContact CZ3-CB 4.16Å; W836-F871 AromaticContact CZ3-CD1 3.94Å; W836-F871 HydrophobicContact CZ3-CD1 3.94Å; W836-F871 HydrophobicContact CZ3-CG 4.3Å; W836-F871 AromaticContact NE1-CE1 3.93Å; P869-F871 VanDerWaalsContact C-N 3.27Å; P869-F871 PolarHBondContact O-N 3.41Å; F871-T885 HydrophobicContact CB-CG2 4.02Å; F871-T885 WeakPolarHBondContact O-CB 3.49Å; F871-T885 PolarHBondContact O-OG1 3.14Å; F871-P889 HydrophobicContact CD2-CG 3.55Å; F871-P889 HydrophobicContact CE2-CG 3.62Å; F871-P889 HydrophobicContact CG-CG 4.47Å; F871-A894 HydrophobicContact CE1-CB 4.05Å; F871-A894 HydrophobicContact CE2-CB 4.2Å; F871-A894 HydrophobicContact CZ-CB 3.83Å; F871-I897 HydrophobicContact CE2-CD1 3.99Å; F871-I897 HydrophobicContact CE2-CG2 4.43Å; F871-I897 HydrophobicContact CZ-CB 4.39Å; F871-I897 HydrophobicContact CZ-CG2 4.31Å
872	C	97.7	Very high	95	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	25%	0.247	C	C	.	.			trans	-104	115.3	172.9	-70.4	0	0	0	0	109.9	P840 L841 F861 P869 G881	P840-C872 HydrophobicContact CB-CB 4.18Å; L841-C872 PolarHBondContact N-O 2.93Å; F861-C872 HydrophobicContact CD2-CB 4.2Å; F861-C872 HydrophobicContact CE2-CB 3.72Å; P869-C872 PolarHBondContact O-SG 3.18Å; C872-G881 CarbonylContact C-O 3.5Å; C872-G881 WeakPolarHBondContact CA-O 3.49Å
873	L	97.7	Very high	94.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	85.9	-174.2	-52.4	179.8	0	0	0	109.6	A799 L802 I803 W836 L841 G881 T885	A799-L873 HydrophobicContact CB-CD1 3.6Å; L802-L873 HydrophobicContact CB-CD1 4.23Å; L802-L873 HydrophobicContact CD1-CB 4.18Å; L802-L873 HydrophobicContact CD1-CD1 4.45Å; I803-L873 HydrophobicContact CD1-CD1 4.39Å; I803-L873 HydrophobicContact CD1-CD2 4.19Å; I803-L873 HydrophobicContact CG1-CD1 4.1Å; I803-L873 HydrophobicContact CG1-CD2 3.58Å; W836-L873 HydrophobicContact CH2-CD2 4.37Å; W836-L873 HydrophobicContact CZ3-CD2 4.08Å; L841-L873 HydrophobicContact CB-CD2 4.14Å; L841-L873 HydrophobicContact CD2-CD2 3.9Å; L841-L873 CarbonylContact O-C 3.34Å; L873-G881 PolarHBondContact N-O 3.26Å; L873-G881 WeakPolarHBondContact O-CA 3.44Å; L873-T885 HydrophobicContact CD1-CG2 4.06Å; L873-T885 HydrophobicContact CG-CG2 4.42Å
874	V	97	Very high	94.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.5	-175	170	0	0	0	0	110	P840 L841 V842 V843 L849 I857 R879	P840-V874 HydrophobicContact CB-CG2 3.79Å; P840-V874 HydrophobicContact CG-CG2 4.41Å; L841-V874 PolarHBondContact O-N 3.28Å; V842-V874 HydrophobicContact CG1-CG1 4.33Å; V842-V874 HydrophobicContact CG2-CB 4.28Å; V842-V874 HydrophobicContact CG2-CG1 4.39Å; V843-V874 WeakPolarHBondContact CA-O 3.48Å; V843-V874 WeakPolarHBondContact CB-O 3.42Å; V843-V874 PolarHBondContact N-O 2.94Å; L849-V874 HydrophobicContact CD1-CG1 4.11Å; I857-V874 HydrophobicContact CD1-CG1 4.02Å; I857-V874 HydrophobicContact CG2-CG1 4.07Å; I857-V874 HydrophobicContact CG2-CG2 3.92Å; V874-R879 WeakPolarHBondContact CG2-O 3.43Å
875	T	96.2	Very high	94.8	Very high	9 Å²	9	33.5 Å²	33.5	6%	0.055	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-134.2	164.4	170.7	64.4	0	0	0	0	108.6	L802 V843 I845 E877 N878	L802-T875 HydrophobicContact CD1-CG2 3.96Å; L802-T875 HydrophobicContact CD2-CG2 3.94Å; V843-T875 HydrophobicContact CB-CG2 4.31Å; I845-T875 HydrophobicContact CD1-CG2 4.48Å; T875-E877 PolarHBondContact O-N 3.46Å; T875-E877 VanDerWaalsContact O-N 3.07Å; T875-N878 PolarHBondContact N-O 3.3Å; T875-N878 VanDerWaalsContact N-O 3.15Å; T875-N878 CarbonylContact O-C 3.55Å; T875-N878 PolarHBondContact O-N 2.9Å; T875-N878 WeakPolarHBondContact OG1-CB 3.19Å; T875-N878 PolarHBondContact OG1-N 2.96Å
876	P	94.6	Very high	94.7	Very high	25 Å²	25	35.6 Å²	35.6	16%	0.162	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.4	175.8	-26.8	34.1	0	0	0	113.9	I845 Q848 L849	I845-P876 HydrophobicContact CB-CG 4.45Å; Q848-P876 HydrophobicContact CB-CB 3.95Å; Q848-P876 HydrophobicContact CB-CG 3.82Å; Q848-P876 HydrophobicContact CG-CG 4.44Å; L849-P876 HydrophobicContact CG-CB 4.45Å; L849-P876 HydrophobicContact CG-CG 4.2Å
877	E	91.6	Very high	94.6	Very high	77 Å²	77	35.7 Å²	35.7	36%	0.36	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.2	-178.8	-60.4	175.8	-178.3	0	0	113.9	S760 R763 H764 T875 R883	S760-E877 WeakPolarHBondContact CB-OE2 3.44Å; S760-E877 PolarHBondContact OG-OE1 2.8Å; S760-E877 PolarHBondContact OG-OE2 3.1Å; R763-E877 IonicContact NH2-OE1 3.89Å; H764-E877 IonicContact CE1-OE1 3.67Å; H764-E877 PolarHBondContact CE1-OE1 3.21Å; T875-E877 PolarHBondContact O-N 3.46Å; T875-E877 VanDerWaalsContact O-N 3.07Å; E877-R883 PolarHBondContact O-NH2 2.82Å
878	N	92.9	Very high	94.6	Very high	14 Å²	14	34.5 Å²	34.5	8%	0.075	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-151.2	80.5	-178.6	177.4	24.9	0	0	0	110.1	T875 L880 G881 N882 R883	T875-N878 PolarHBondContact N-O 3.3Å; T875-N878 VanDerWaalsContact N-O 3.15Å; T875-N878 CarbonylContact O-C 3.55Å; T875-N878 PolarHBondContact O-N 2.9Å; T875-N878 WeakPolarHBondContact OG1-CB 3.19Å; T875-N878 PolarHBondContact OG1-N 2.96Å; N878-L880 VanDerWaalsContact C-N 3.31Å; N878-L880 PolarHBondContact O-N 3.1Å; N878-G881 WeakPolarHBondContact ND2-CA 3.35Å; N878-G881 PolarHBondContact O-N 3.22Å; N878-G881 VanDerWaalsContact O-N 3.14Å; N878-G881 PolarHBondContact OD1-N 2.88Å; N878-N882 PolarHBondContact ND2-N 3.25Å; N878-R883 WeakPolarHBondContact ND2-CB 3.42Å; N878-R883 PolarHBondContact ND2-N 2.93Å
879	R	94.5	Very high	94.6	Very high	98 Å²	98	33.8 Å²	33.8	37%	0.37	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.1	-176.8	-70.8	-172.8	171.2	-152	-8.8	114.2	D853 E856 I857 V874 G881	D853-R879 IonicContact OD1-CZ 2.92Å; D853-R879 IonicContact OD1-NH1 3.92Å; D853-R879 IonicContact OD1-NH2 3.1Å; D853-R879 PolarHBondContact OD1-NH2 3.46Å; E856-R879 IonicContact OE2-NH1 2.89Å; I857-R879 HydrophobicContact CD1-CB 4.37Å; I857-R879 HydrophobicContact CD1-CG 4.08Å; I857-R879 HydrophobicContact CG1-CB 4.22Å; I857-R879 HydrophobicContact CG1-CG 4.31Å; V874-R879 WeakPolarHBondContact CG2-O 3.43Å; R879-G881 VanDerWaalsContact C-N 3.34Å
880	L	92.8	Very high	94.4	Very high	57 Å²	57	35.4 Å²	35.4	30%	0.298	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.8	175.2	-66.4	179.5	0	0	0	113.1	E860 L864 L868 N878 N882	E860-L880 HydrophobicContact CG-CD2 4.43Å; L864-L880 HydrophobicContact CD1-CD2 3.8Å; L868-L880 HydrophobicContact CD2-CB 4.43Å; N878-L880 VanDerWaalsContact C-N 3.31Å; N878-L880 PolarHBondContact O-N 3.1Å; L880-N882 PolarHBondContact O-N 2.89Å
881	G	95	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.			trans	67.9	12.8	177.9	0	0	0	0	0	115.9	C872 L873 N878 R879	C872-G881 CarbonylContact C-O 3.5Å; C872-G881 WeakPolarHBondContact CA-O 3.49Å; L873-G881 PolarHBondContact N-O 3.26Å; L873-G881 WeakPolarHBondContact O-CA 3.44Å; N878-G881 WeakPolarHBondContact ND2-CA 3.35Å; N878-G881 PolarHBondContact O-N 3.22Å; N878-G881 VanDerWaalsContact O-N 3.14Å; N878-G881 PolarHBondContact OD1-N 2.88Å; R879-G881 VanDerWaalsContact C-N 3.34Å
882	N	94.1	Very high	94	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	22%	0.218	C	C	.	.			trans	-93.8	-21.1	-172.6	63.8	-10.6	0	0	0	114.9	L868 P869 N878 L880 W884 T885 Q886	L868-N882 HydrophobicContact CD2-CB 4.43Å; P869-N882 HydrophobicContact CG-CB 3.71Å; N878-N882 PolarHBondContact ND2-N 3.25Å; L880-N882 PolarHBondContact O-N 2.89Å; N882-W884 VanDerWaalsContact C-N 3.33Å; N882-W884 PolarHBondContact O-N 3.19Å; N882-W884 VanDerWaalsContact O-N 3.07Å; N882-T885 CarbonylContact O-C 3.59Å; N882-T885 PolarHBondContact O-N 2.96Å; N882-T885 PolarHBondContact O-OG1 3.33Å; N882-Q886 WeakPolarHBondContact O-CA 3.5Å; N882-Q886 WeakPolarHBondContact O-CB 3.48Å; N882-Q886 PolarHBondContact O-N 3.14Å
883	R	91.9	Very high	93.8	Very high	43 Å²	43	41.3 Å²	41.3	16%	0.162	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.3	-50.3	-173.4	-175	177.6	-69.9	155.7	1.7	115.7	M754 S757 E877 N878	M754-R883 HydrophobicContact SD-CG 4.05Å; S757-R883 WeakPolarHBondContact OG-CD 3.32Å; S757-R883 PolarHBondContact OG-NE 3.24Å; S757-R883 VanDerWaalsContact OG-NE 3.09Å; S757-R883 PolarHBondContact OG-NH1 2.85Å; S757-R883 VanDerWaalsContact OG-NH1 3.12Å; E877-R883 PolarHBondContact O-NH2 2.82Å; N878-R883 WeakPolarHBondContact ND2-CB 3.42Å; N878-R883 PolarHBondContact ND2-N 2.93Å
884	W	94.2	Very high	93.8	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.027	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-6.9	-174.6	-54	113.9	0	0	0	114.1	M754 R758 H761 K796 E798 A799 L802 N882	M754-W884 HydrophobicContact CE-CE3 3.85Å; M754-W884 HydrophobicContact CE-CH2 4.09Å; M754-W884 HydrophobicContact CE-CZ3 3.31Å; M754-W884 HydrophobicContact SD-CZ3 4.21Å; R758-W884 HydrophobicContact CG-CH2 3.72Å; R758-W884 HydrophobicContact CG-CZ3 4.21Å; H761-W884 HydrophobicContact CB-CZ2 4.32Å; K796-W884 HydrophobicContact CD-CE3 4.28Å; K796-W884 WeakPolarHBondContact CD-O 3.32Å; E798-W884 HydrophobicContact CB-CD2 3.54Å; E798-W884 HydrophobicContact CB-CE3 3.63Å; E798-W884 HydrophobicContact CB-CG 3.93Å; E798-W884 HydrophobicContact CB-CH2 4.42Å; E798-W884 HydrophobicContact CB-CZ2 4.34Å; E798-W884 HydrophobicContact CB-CZ3 4.06Å; E798-W884 HydrophobicContact CG-CD2 4.15Å; E798-W884 HydrophobicContact CG-CE3 3.82Å; E798-W884 HydrophobicContact CG-CH2 4Å; E798-W884 HydrophobicContact CG-CZ2 4.29Å; E798-W884 HydrophobicContact CG-CZ3 3.72Å; A799-W884 HydrophobicContact CB-CB 3.99Å; L802-W884 VanDerWaalsContact CD1-CD1 3.45Å; N882-W884 VanDerWaalsContact C-N 3.33Å; N882-W884 PolarHBondContact O-N 3.19Å; N882-W884 VanDerWaalsContact O-N 3.07Å
885	T	95.4	Very high	93.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	0.8	-170.5	53	0	0	0	0	114	L795 A799 P869 F871 L873 N882 Q887 Q888	L795-T885 HydrophobicContact CD1-CG2 4.47Å; A799-T885 HydrophobicContact CB-CG2 3.9Å; P869-T885 WeakPolarHBondContact CB-O 3.36Å; P869-T885 WeakPolarHBondContact CG-OG1 3.36Å; F871-T885 HydrophobicContact CB-CG2 4.02Å; F871-T885 WeakPolarHBondContact O-CB 3.49Å; F871-T885 PolarHBondContact O-OG1 3.14Å; L873-T885 HydrophobicContact CD1-CG2 4.06Å; L873-T885 HydrophobicContact CG-CG2 4.42Å; N882-T885 CarbonylContact O-C 3.59Å; N882-T885 PolarHBondContact O-N 2.96Å; N882-T885 PolarHBondContact O-OG1 3.33Å; T885-Q887 VanDerWaalsContact C-N 3.29Å; T885-Q887 PolarHBondContact O-N 3.08Å; T885-Q888 CarbonylContact C-O 3.48Å; T885-Q888 WeakPolarHBondContact CA-O 3.49Å; T885-Q888 CarbonylContact O-C 3.6Å; T885-Q888 PolarHBondContact O-N 2.99Å; T885-Q888 VanDerWaalsContact O-O 3.09Å
886	Q	92.4	Very high	93.8	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.463	24%	0.241	S	C	.	.	S	Bend	trans	-56.9	-40.2	-175.8	-173.7	-179.3	20.8	0	0	112.8	N882	N882-Q886 WeakPolarHBondContact O-CA 3.5Å; N882-Q886 WeakPolarHBondContact O-CB 3.48Å; N882-Q886 PolarHBondContact O-N 3.14Å
887	Q	89.4	Confident	93.9	Very high	131 Å²	131	44.7 Å²	44.7	61%	0.612	23%	0.234	S	C	*	.	S	Bend	trans	-90.6	-38.6	-177.3	-62.8	-62.6	-22.5	0	0	112.7	T885	T885-Q887 VanDerWaalsContact C-N 3.29Å; T885-Q887 PolarHBondContact O-N 3.08Å
888	Q	92.7	Very high	94.2	Very high	70 Å²	70	41.7 Å²	41.7	33%	0.327	22%	0.221	S	C	.	.	S	Bend	trans	-149.5	148.8	-179	-68.9	-61	-25.7	0	0	109.6	Y794 T885	Y794-Q888 HydrophobicContact CD1-CG 4.48Å; Y794-Q888 CarbonylContact O-C 3.57Å; Y794-Q888 WeakPolarHBondContact O-CB 3.44Å; T885-Q888 CarbonylContact C-O 3.48Å; T885-Q888 WeakPolarHBondContact CA-O 3.49Å; T885-Q888 CarbonylContact O-C 3.6Å; T885-Q888 PolarHBondContact O-N 2.99Å; T885-Q888 VanDerWaalsContact O-O 3.09Å
889	P	95.5	Very high	94.4	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.013	24%	0.241	C	C	.	.			cis	-80.5	148.7	1.6	30.1	-33.2	0	0	0	112.3	Y794 P870 F871 V893 A894 I897	Y794-P889 WeakPolarHBondContact O-CA 3.48Å; Y794-P889 WeakPolarHBondContact O-CB 3.34Å; Y794-P889 VanDerWaalsContact O-CD 3.32Å; Y794-P889 WeakPolarHBondContact O-CD 3.26Å; Y794-P889 VanDerWaalsContact O-N 3.13Å; P870-P889 VanDerWaalsContact CD-O 3.28Å; P870-P889 WeakPolarHBondContact CD-O 3.32Å; P870-P889 WeakPolarHBondContact CG-O 3.29Å; F871-P889 HydrophobicContact CD2-CG 3.55Å; F871-P889 HydrophobicContact CE2-CG 3.62Å; F871-P889 HydrophobicContact CG-CG 4.47Å; P889-V893 HydrophobicContact CB-CB 4Å; P889-V893 HydrophobicContact CB-CG1 3.89Å; P889-A894 HydrophobicContact CB-CB 4.24Å; P889-A894 HydrophobicContact CG-CB 3.92Å; P889-I897 HydrophobicContact CB-CD1 4.17Å; P889-I897 HydrophobicContact CG-CD1 4.16Å
890	C	92.4	Very high	94.4	Very high	48 Å²	48	42.9 Å²	42.9	32%	0.324	23%	0.225	S	C	.	.			trans	-68.9	163.5	163.2	68.7	0	0	0	0	111.1	S892 V893 A894	C890-S892 VanDerWaalsContact C-N 3.3Å; C890-S892 PolarHBondContact O-N 3.32Å; C890-S892 PolarHBondContact SG-OG 3.35Å; C890-V893 PolarHBondContact O-N 3.06Å; C890-V893 VanDerWaalsContact SG-CG2 3.57Å; C890-A894 PolarHBondContact O-N 3.23Å
891	A	93	Very high	94.6	Very high	73 Å²	73	40.1 Å²	40.1	60%	0.603	21%	0.211	S	C	*	.	H	α-helix	trans	-53.8	-40.9	-172.8	0	0	0	0	0	114.4	P870 A894 D895	P870-A891 HydrophobicContact CG-CB 4.17Å; A891-A894 PolarHBondContact O-N 2.99Å; A891-D895 WeakPolarHBondContact O-CB 3.33Å; A891-D895 PolarHBondContact O-N 2.91Å
892	S	92.1	Very high	94.5	Very high	75 Å²	75	45.7 Å²	45.7	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-69.4	-35.4	178.8	52.9	0	0	0	0	113.2	C890 W896	C890-S892 VanDerWaalsContact C-N 3.3Å; C890-S892 PolarHBondContact O-N 3.32Å; C890-S892 PolarHBondContact SG-OG 3.35Å; S892-W896 WeakPolarHBondContact O-CB 3.18Å; S892-W896 PolarHBondContact O-N 2.99Å; S892-W896 VanDerWaalsContact O-N 3.11Å
893	V	95.3	Very high	94.4	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-74.2	-38.5	175.8	177.3	0	0	0	0	110.4	L791 Y794 P889 C890 W896 I897 L987 F989	L791-V893 HydrophobicContact CD2-CG1 3.96Å; Y794-V893 HydrophobicContact CD1-CB 4.35Å; Y794-V893 HydrophobicContact CD1-CG1 3.83Å; Y794-V893 HydrophobicContact CD1-CG2 3.99Å; Y794-V893 HydrophobicContact CE1-CG2 4.07Å; Y794-V893 HydrophobicContact CG-CG1 3.89Å; P889-V893 HydrophobicContact CB-CB 4Å; P889-V893 HydrophobicContact CB-CG1 3.89Å; C890-V893 PolarHBondContact O-N 3.06Å; C890-V893 VanDerWaalsContact SG-CG2 3.57Å; V893-W896 WeakPolarHBondContact O-CB 3.22Å; V893-W896 PolarHBondContact O-N 3.1Å; V893-I897 HydrophobicContact CG1-CD1 4.2Å; V893-I897 HydrophobicContact CG1-CG1 4.49Å; V893-I897 VanDerWaalsContact O-CG1 3.3Å; V893-I897 WeakPolarHBondContact O-CG1 3.44Å; V893-I897 PolarHBondContact O-N 2.87Å; V893-L987 HydrophobicContact CG2-CD1 4.28Å; V893-F989 HydrophobicContact CG2-CE1 4.34Å; V893-F989 HydrophobicContact CG2-CZ 4.34Å
894	A	97.3	Very high	94.3	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-49.3	174.4	0	0	0	0	0	111.5	P870 F871 P889 C890 A891 W896 I897 C898	P870-A894 HydrophobicContact CB-CB 3.45Å; P870-A894 VanDerWaalsContact CB-CB 3.45Å; P870-A894 HydrophobicContact CG-CB 3.91Å; F871-A894 HydrophobicContact CE1-CB 4.05Å; F871-A894 HydrophobicContact CE2-CB 4.2Å; F871-A894 HydrophobicContact CZ-CB 3.83Å; P889-A894 HydrophobicContact CB-CB 4.24Å; P889-A894 HydrophobicContact CG-CB 3.92Å; C890-A894 PolarHBondContact O-N 3.23Å; A891-A894 PolarHBondContact O-N 2.99Å; A894-W896 VanDerWaalsContact C-N 3.27Å; A894-W896 PolarHBondContact O-N 3.22Å; A894-I897 WeakPolarHBondContact O-CB 3.18Å; A894-I897 PolarHBondContact O-N 3.35Å; A894-I897 VanDerWaalsContact O-N 3.16Å; A894-C898 PolarHBondContact O-N 2.52Å; A894-C898 PolarHBondContact O-SG 3.19Å
895	D	96.1	Very high	94	Very high	79 Å²	79	45.6 Å²	45.6	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-58	-40.4	173.9	170.2	72.2	0	0	0	112	A891 C898 R899	A891-D895 WeakPolarHBondContact O-CB 3.33Å; A891-D895 PolarHBondContact O-N 2.91Å; D895-C898 PolarHBondContact O-N 2.85Å; D895-R899 PolarHBondContact O-N 3.41Å; D895-R899 IonicContact OD1-NE 2.68Å; D895-R899 IonicContact OD2-CZ 2.77Å; D895-R899 IonicContact OD2-NE 3.21Å; D895-R899 PolarHBondContact OD2-NE 2.88Å; D895-R899 IonicContact OD2-NH2 2.82Å; D895-R899 PolarHBondContact OD2-NH2 2.94Å
896	W	96	Very high	93.5	Very high	24 Å²	24	49.9 Å²	49.9	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-41.5	176.2	-171.1	40.2	0	0	0	112.4	L791 S892 V893 A894 C898 R899 L900 P929 H932 F933 F989	L791-W896 HydrophobicContact CD2-CE3 3.95Å; L791-W896 HydrophobicContact CD2-CZ3 3.88Å; S892-W896 WeakPolarHBondContact O-CB 3.18Å; S892-W896 PolarHBondContact O-N 2.99Å; S892-W896 VanDerWaalsContact O-N 3.11Å; V893-W896 WeakPolarHBondContact O-CB 3.22Å; V893-W896 PolarHBondContact O-N 3.1Å; A894-W896 VanDerWaalsContact C-N 3.27Å; A894-W896 PolarHBondContact O-N 3.22Å; W896-C898 VanDerWaalsContact C-N 3.31Å; W896-C898 PolarHBondContact O-N 2.86Å; W896-R899 PolarHBondContact O-N 3.09Å; W896-L900 HydrophobicContact CD2-CD1 4.05Å; W896-L900 HydrophobicContact CE3-CD1 4.5Å; W896-L900 HydrophobicContact CG-CD1 4.42Å; W896-L900 HydrophobicContact CG-CG 4.47Å; W896-L900 HydrophobicContact CZ2-CD1 4.1Å; W896-L900 WeakPolarHBondContact O-CB 3.32Å; W896-L900 VanDerWaalsContact O-CG 3.27Å; W896-L900 WeakPolarHBondContact O-CG 3.43Å; W896-L900 PolarHBondContact O-N 2.78Å; W896-P929 HydrophobicContact CH2-CG 3.96Å; W896-P929 HydrophobicContact CZ2-CB 4.13Å; W896-P929 HydrophobicContact CZ2-CG 3.87Å; W896-H932 HydrophobicContact CZ2-CB 4.2Å; W896-F933 AromaticContact CH2-CE1 3.65Å; W896-F933 HydrophobicContact CH2-CE1 3.65Å; W896-F933 AromaticContact CH2-CZ 3.88Å; W896-F933 HydrophobicContact CH2-CZ 3.88Å; W896-F933 HydrophobicContact CZ2-CE1 4.4Å; W896-F933 HydrophobicContact CZ3-CE1 4.46Å; W896-F989 HydrophobicContact CE3-CD1 4.45Å; W896-F989 AromaticContact CE3-CE1 3.88Å; W896-F989 HydrophobicContact CE3-CE1 3.88Å; W896-F989 HydrophobicContact CE3-CZ 4.17Å; W896-F989 HydrophobicContact CH2-CD1 4.33Å; W896-F989 HydrophobicContact CH2-CE1 4.44Å; W896-F989 HydrophobicContact CH2-CG 4.48Å; W896-F989 AromaticContact CZ3-CD1 3.54Å; W896-F989 HydrophobicContact CZ3-CD1 3.54Å; W896-F989 HydrophobicContact CZ3-CD2 4.45Å; W896-F989 AromaticContact CZ3-CE1 3.38Å; W896-F989 HydrophobicContact CZ3-CE1 3.38Å; W896-F989 HydrophobicContact CZ3-CE2 4.31Å; W896-F989 HydrophobicContact CZ3-CG 4.08Å; W896-F989 AromaticContact CZ3-CZ 3.78Å; W896-F989 HydrophobicContact CZ3-CZ 3.78Å
897	I	97.7	Very high	92.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.5	-47.9	172.7	-68.7	165.8	0	0	0	110.2	L791 L831 F871 P889 V893 A894 R899 L900 A901	L791-I897 HydrophobicContact CD1-CD1 4.48Å; L791-I897 HydrophobicContact CD1-CG1 3.64Å; L791-I897 HydrophobicContact CD2-CD1 4.47Å; L791-I897 HydrophobicContact CD2-CG1 4.05Å; L791-I897 HydrophobicContact CG-CG1 4.43Å; L831-I897 HydrophobicContact CD1-CG2 4.01Å; L831-I897 HydrophobicContact CD2-CG2 4.26Å; F871-I897 HydrophobicContact CE2-CD1 3.99Å; F871-I897 HydrophobicContact CE2-CG2 4.43Å; F871-I897 HydrophobicContact CZ-CB 4.39Å; F871-I897 HydrophobicContact CZ-CG2 4.31Å; P889-I897 HydrophobicContact CB-CD1 4.17Å; P889-I897 HydrophobicContact CG-CD1 4.16Å; V893-I897 HydrophobicContact CG1-CD1 4.2Å; V893-I897 HydrophobicContact CG1-CG1 4.49Å; V893-I897 VanDerWaalsContact O-CG1 3.3Å; V893-I897 WeakPolarHBondContact O-CG1 3.44Å; V893-I897 PolarHBondContact O-N 2.87Å; A894-I897 WeakPolarHBondContact O-CB 3.18Å; A894-I897 PolarHBondContact O-N 3.35Å; A894-I897 VanDerWaalsContact O-N 3.16Å; I897-R899 PolarHBondContact O-N 2.89Å; I897-L900 PolarHBondContact O-N 2.86Å; I897-A901 WeakPolarHBondContact O-CB 3.34Å; I897-A901 PolarHBondContact O-N 2.81Å
898	C	98	Very high	92.4	Very high	14 Å²	14	41.2 Å²	41.2	10%	0.095	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-41.6	179.9	-58.9	0	0	0	0	112.2	L831 A894 D895 W896 A901 R902	L831-C898 WeakPolarHBondContact O-CB 3.29Å; L831-C898 PolarHBondContact O-SG 3.22Å; A894-C898 PolarHBondContact O-N 2.52Å; A894-C898 PolarHBondContact O-SG 3.19Å; D895-C898 PolarHBondContact O-N 2.85Å; W896-C898 VanDerWaalsContact C-N 3.31Å; W896-C898 PolarHBondContact O-N 2.86Å; C898-A901 PolarHBondContact O-N 2.89Å; C898-R902 PolarHBondContact O-N 2.98Å
899	R	95.9	Very high	91.5	Very high	130 Å²	130	40.6 Å²	40.6	49%	0.491	22%	0.215	S	C	.	.	H	α-helix	trans	-65.6	-40.4	175.3	-75.2	-171.4	-79.6	156.9	-4.8	112.6	D895 W896 I897 A901 R902 N903	D895-R899 PolarHBondContact O-N 3.41Å; D895-R899 IonicContact OD1-NE 2.68Å; D895-R899 IonicContact OD2-CZ 2.77Å; D895-R899 IonicContact OD2-NE 3.21Å; D895-R899 PolarHBondContact OD2-NE 2.88Å; D895-R899 IonicContact OD2-NH2 2.82Å; D895-R899 PolarHBondContact OD2-NH2 2.94Å; W896-R899 PolarHBondContact O-N 3.09Å; I897-R899 PolarHBondContact O-N 2.89Å; R899-A901 VanDerWaalsContact C-N 3.34Å; R899-R902 PolarHBondContact O-N 3.39Å; R899-N903 PolarHBondContact O-N 3.42Å
900	L	95.4	Very high	90.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-41.3	174.5	-74.2	-179.3	0	0	0	111.7	W785 R789 L791 W896 I897 N903 A904	W785-L900 HydrophobicContact CH2-CB 4.15Å; W785-L900 HydrophobicContact CZ2-CB 4.23Å; R789-L900 HydrophobicContact CB-CD1 4.18Å; R789-L900 HydrophobicContact CG-CD1 4.45Å; L791-L900 HydrophobicContact CD1-CD1 3.99Å; W896-L900 HydrophobicContact CD2-CD1 4.05Å; W896-L900 HydrophobicContact CE3-CD1 4.5Å; W896-L900 HydrophobicContact CG-CD1 4.42Å; W896-L900 HydrophobicContact CG-CG 4.47Å; W896-L900 HydrophobicContact CZ2-CD1 4.1Å; W896-L900 WeakPolarHBondContact O-CB 3.32Å; W896-L900 VanDerWaalsContact O-CG 3.27Å; W896-L900 WeakPolarHBondContact O-CG 3.43Å; W896-L900 PolarHBondContact O-N 2.78Å; I897-L900 PolarHBondContact O-N 2.86Å; L900-N903 PolarHBondContact O-N 2.89Å; L900-A904 WeakPolarHBondContact O-CB 3.35Å; L900-A904 PolarHBondContact O-N 2.68Å
901	A	96	Very high	88.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-45.2	176	0	0	0	0	0	111.1	W785 L828 L831 A832 I897 C898 R899 N903 A904 I905	W785-A901 HydrophobicContact CH2-CB 3.93Å; L828-A901 HydrophobicContact CB-CB 4.48Å; L828-A901 HydrophobicContact CD2-CB 4.22Å; L831-A901 HydrophobicContact CB-CB 3.74Å; L831-A901 HydrophobicContact CD1-CB 4.34Å; A832-A901 HydrophobicContact CB-CB 4.1Å; I897-A901 WeakPolarHBondContact O-CB 3.34Å; I897-A901 PolarHBondContact O-N 2.81Å; C898-A901 PolarHBondContact O-N 2.89Å; R899-A901 VanDerWaalsContact C-N 3.34Å; A901-N903 PolarHBondContact O-N 3.35Å; A901-A904 WeakPolarHBondContact O-CB 3.17Å; A901-A904 PolarHBondContact O-N 2.82Å; A901-A904 VanDerWaalsContact O-N 3.17Å; A901-I905 VanDerWaalsContact O-CG1 3.32Å; A901-I905 WeakPolarHBondContact O-CG1 3.33Å; A901-I905 PolarHBondContact O-N 3Å
902	R	94.4	Very high	86.4	Confident	117 Å²	117	46.4 Å²	46.4	44%	0.442	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-48.5	175.6	-167.2	175.6	-59.1	125.1	6.4	112.2	A832 C898 R899 A904 I905 D906	A832-R902 HydrophobicContact CB-CB 4Å; A832-R902 PolarHBondContact O-NH2 3.13Å; C898-R902 PolarHBondContact O-N 2.98Å; R899-R902 PolarHBondContact O-N 3.39Å; R902-A904 VanDerWaalsContact C-N 3.31Å; R902-A904 PolarHBondContact O-N 2.92Å; R902-I905 WeakPolarHBondContact O-CB 3.49Å; R902-I905 PolarHBondContact O-N 2.8Å; R902-D906 VanDerWaalsContact O-CG 3.29Å; R902-D906 PolarHBondContact O-N 3.14Å
903	N	91.4	Very high	84.4	Confident	75 Å²	75	43.7 Å²	43.7	40%	0.401	22%	0.218	S	C	.	.	H	α-helix	trans	-61.2	-40.2	176.6	-171.5	-62.4	0	0	0	111.8	R899 L900 A901 D906 Q907	R899-N903 PolarHBondContact O-N 3.42Å; L900-N903 PolarHBondContact O-N 2.89Å; A901-N903 PolarHBondContact O-N 3.35Å; N903-D906 PolarHBondContact O-N 3.13Å; N903-Q907 VanDerWaalsContact O-CG 3.31Å; N903-Q907 WeakPolarHBondContact O-CG 3.3Å; N903-Q907 PolarHBondContact O-N 2.78Å; N903-Q907 PolarHBondContact OD1-NE2 3.06Å
904	A	89.6	Confident	82.5	Confident	3 Å²	3	44.9 Å²	44.9	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-41.2	176.9	0	0	0	0	0	112.2	W785 L828 L900 A901 R902 Q907 L908	W785-A904 HydrophobicContact CZ2-CB 4.04Å; L828-A904 HydrophobicContact CD1-CB 3.86Å; L828-A904 HydrophobicContact CD2-CB 4.39Å; L900-A904 WeakPolarHBondContact O-CB 3.35Å; L900-A904 PolarHBondContact O-N 2.68Å; A901-A904 WeakPolarHBondContact O-CB 3.17Å; A901-A904 PolarHBondContact O-N 2.82Å; A901-A904 VanDerWaalsContact O-N 3.17Å; R902-A904 VanDerWaalsContact C-N 3.31Å; R902-A904 PolarHBondContact O-N 2.92Å; A904-Q907 PolarHBondContact O-N 3.01Å; A904-L908 WeakPolarHBondContact O-CB 3.5Å; A904-L908 WeakPolarHBondContact O-CG 3.47Å; A904-L908 PolarHBondContact O-N 2.88Å
905	I	88.5	Confident	80.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-52.5	173	-66.3	166	0	0	0	110.3	L828 R829 A832 A901 R902 Q907 L908 E909	L828-I905 HydrophobicContact CB-CD1 4.08Å; L828-I905 HydrophobicContact CB-CG1 3.69Å; L828-I905 HydrophobicContact CD1-CG1 4.46Å; R829-I905 VanDerWaalsContact CA-CD1 3.5Å; R829-I905 HydrophobicContact CB-CD1 4.24Å; A832-I905 HydrophobicContact CB-CD1 3.66Å; A901-I905 VanDerWaalsContact O-CG1 3.32Å; A901-I905 WeakPolarHBondContact O-CG1 3.33Å; A901-I905 PolarHBondContact O-N 3Å; R902-I905 WeakPolarHBondContact O-CB 3.49Å; R902-I905 PolarHBondContact O-N 2.8Å; I905-Q907 PolarHBondContact O-N 3.17Å; I905-Q907 VanDerWaalsContact O-N 3.1Å; I905-L908 PolarHBondContact O-N 3.4Å; I905-E909 VanDerWaalsContact CG2-CD 3.43Å; I905-E909 HydrophobicContact CG2-CG 3.76Å; I905-E909 WeakPolarHBondContact CG2-OE2 3.27Å; I905-E909 WeakPolarHBondContact O-CB 3.46Å; I905-E909 WeakPolarHBondContact O-CG 3.3Å; I905-E909 PolarHBondContact O-N 2.99Å
906	D	84.2	Confident	78	Confident	91 Å²	91	45.1 Å²	45.1	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-58.2	-30.4	-178.9	-65.4	-26.1	0	0	0	112.1	R902 N903 K910	R902-D906 VanDerWaalsContact O-CG 3.29Å; R902-D906 PolarHBondContact O-N 3.14Å; N903-D906 PolarHBondContact O-N 3.13Å; D906-K910 WeakPolarHBondContact O-CE 3.12Å; D906-K910 WeakPolarHBondContact O-CG 3.4Å
907	Q	80	Confident	75.6	Confident	37 Å²	37	48.4 Å²	48.4	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-75.4	-43	173	-71	-177.6	18.8	0	0	112.8	N903 A904 I905 V913	N903-Q907 VanDerWaalsContact O-CG 3.31Å; N903-Q907 WeakPolarHBondContact O-CG 3.3Å; N903-Q907 PolarHBondContact O-N 2.78Å; N903-Q907 PolarHBondContact OD1-NE2 3.06Å; A904-Q907 PolarHBondContact O-N 3.01Å; I905-Q907 PolarHBondContact O-N 3.17Å; I905-Q907 VanDerWaalsContact O-N 3.1Å; Q907-V913 WeakPolarHBondContact O-CG2 3.42Å
908	L	79.6	Confident	73.2	Confident	11 Å²	11	54.8 Å²	54.8	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-80.7	-28.3	-173.2	-70.4	170.2	0	0	0	113.8	F824 L825 L828 A904 I905 V913	F824-L908 HydrophobicContact CE1-CD1 3.92Å; L825-L908 HydrophobicContact CD2-CB 3.97Å; L825-L908 HydrophobicContact CD2-CD1 3.86Å; L828-L908 HydrophobicContact CD1-CD1 3.76Å; A904-L908 WeakPolarHBondContact O-CB 3.5Å; A904-L908 WeakPolarHBondContact O-CG 3.47Å; A904-L908 PolarHBondContact O-N 2.88Å; I905-L908 PolarHBondContact O-N 3.4Å; L908-V913 HydrophobicContact CD2-CG1 4.48Å; L908-V913 WeakPolarHBondContact O-CB 3.43Å; L908-V913 WeakPolarHBondContact O-CG1 3.19Å
909	E	73.3	Confident	70.8	Confident	57 Å²	57	61.3 Å²	61.3	27%	0.266	30%	0.299	S	S	.	.	S	Bend	trans	-84.6	-11.3	-179.6	-67.3	-163.4	134.3	0	0	114	P403 R829 I905	P403-E909 WeakPolarHBondContact CB-OE1 3.45Å; P403-E909 WeakPolarHBondContact CG-OE1 3.17Å; R829-E909 IonicContact CZ-OE2 3.45Å; R829-E909 IonicContact NH2-OE1 2.77Å; R829-E909 PolarHBondContact NH2-OE1 3.4Å; R829-E909 IonicContact NH2-OE2 3.05Å; R829-E909 PolarHBondContact NH2-OE2 3.48Å; I905-E909 VanDerWaalsContact CG2-CD 3.43Å; I905-E909 HydrophobicContact CG2-CG 3.76Å; I905-E909 WeakPolarHBondContact CG2-OE2 3.27Å; I905-E909 WeakPolarHBondContact O-CB 3.46Å; I905-E909 WeakPolarHBondContact O-CG 3.3Å; I905-E909 PolarHBondContact O-N 2.99Å
910	K	66.9	Low	68.6	Low	111 Å²	111	62.4 Å²	62.4	48%	0.483	31%	0.307	S	S	.	.	S	Bend	trans	-52.6	130.6	175	-79.9	170.9	-172.1	-177.3	0	108.6	D906 A912 V913	D906-K910 WeakPolarHBondContact O-CE 3.12Å; D906-K910 WeakPolarHBondContact O-CG 3.4Å; K910-A912 PolarHBondContact O-N 2.9Å; K910-V913 HydrophobicContact CB-CG2 4.21Å; K910-V913 WeakPolarHBondContact O-CB 3.46Å; K910-V913 PolarHBondContact O-N 3.31Å
911	P	56.8	Low	66.6	Low	97 Å²	97	63.7 Å²	63.7	63%	0.63	31%	0.314	S	S	*	.	H	α-helix	trans	-51.9	-29	177.6	-28.3	33.8	0	0	0	113	V913 L914 T915	P911-V913 VanDerWaalsContact C-N 3.3Å; P911-V913 PolarHBondContact O-N 2.93Å; P911-L914 PolarHBondContact O-N 3.37Å; P911-T915 WeakPolarHBondContact O-CB 3.42Å; P911-T915 WeakPolarHBondContact O-CG2 3.18Å; P911-T915 PolarHBondContact O-N 2.84Å; P911-T915 PolarHBondContact O-OG1 3.35Å
912	A	49.8	Very low	64.9	Low	38 Å²	38	65.6 Å²	65.6	31%	0.314	32%	0.321	S	S	.	.	H	α-helix	trans	-57	-35.1	172.3	0	0	0	0	0	113.9	K910 L914 T915 T916	K910-A912 PolarHBondContact O-N 2.9Å; A912-L914 VanDerWaalsContact C-N 3.33Å; A912-L914 PolarHBondContact O-N 2.92Å; A912-T915 VanDerWaalsContact CA-OG1 3.27Å; A912-T915 WeakPolarHBondContact CA-OG1 3.2Å; A912-T915 PolarHBondContact O-N 2.74Å; A912-T916 WeakPolarHBondContact O-CA 3.45Å; A912-T916 WeakPolarHBondContact O-CB 3.39Å; A912-T916 PolarHBondContact O-N 3.46Å; A912-T916 PolarHBondContact O-OG1 2.87Å
913	V	50.4	Low	63.2	Low	18 Å²	18	62.8 Å²	62.8	11%	0.109	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-35	-179.7	179.7	0	0	0	0	111.9	Q907 L908 K910 P911 N921	Q907-V913 WeakPolarHBondContact O-CG2 3.42Å; L908-V913 HydrophobicContact CD2-CG1 4.48Å; L908-V913 WeakPolarHBondContact O-CB 3.43Å; L908-V913 WeakPolarHBondContact O-CG1 3.19Å; K910-V913 HydrophobicContact CB-CG2 4.21Å; K910-V913 WeakPolarHBondContact O-CB 3.46Å; K910-V913 PolarHBondContact O-N 3.31Å; P911-V913 VanDerWaalsContact C-N 3.3Å; P911-V913 PolarHBondContact O-N 2.93Å; V913-N921 HydrophobicContact CG2-CB 4.26Å
914	L	55	Low	62.3	Low	27 Å²	27	63.1 Å²	63.1	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-74.7	-44.3	170.6	-61.7	172.8	0	0	0	109.7	A405 C411 T413 V489 P911 A912	A405-L914 HydrophobicContact CB-CD1 4.42Å; C411-L914 HydrophobicContact CB-CD2 3.93Å; T413-L914 VanDerWaalsContact CB-O 3.25Å; T413-L914 WeakPolarHBondContact CB-O 3.22Å; T413-L914 PolarHBondContact OG1-O 2.66Å; V489-L914 HydrophobicContact CG1-CB 4.03Å; V489-L914 HydrophobicContact CG1-CD1 3.86Å; V489-L914 HydrophobicContact CG1-CG 4.45Å; V489-L914 HydrophobicContact CG2-CB 4.33Å; P911-L914 PolarHBondContact O-N 3.37Å; A912-L914 VanDerWaalsContact C-N 3.33Å; A912-L914 PolarHBondContact O-N 2.92Å
915	T	53.2	Low	61.6	Low	31 Å²	31	63 Å²	63	19%	0.19	32%	0.324	C	S	.	.	H	α-helix	trans	-86.1	-18.3	-166.8	53	0	0	0	0	116.8	T413 P487 V489 P911 A912	T413-T915 HydrophobicContact CG2-CG2 4.32Å; P487-T915 HydrophobicContact CB-CG2 4.46Å; V489-T915 HydrophobicContact CG2-CG2 3.54Å; P911-T915 WeakPolarHBondContact O-CB 3.42Å; P911-T915 WeakPolarHBondContact O-CG2 3.18Å; P911-T915 PolarHBondContact O-N 2.84Å; P911-T915 PolarHBondContact O-OG1 3.35Å; A912-T915 VanDerWaalsContact CA-OG1 3.27Å; A912-T915 WeakPolarHBondContact CA-OG1 3.2Å; A912-T915 PolarHBondContact O-N 2.74Å
916	T	46.7	Very low	61.3	Low	58 Å²	58	64.7 Å²	64.7	36%	0.356	33%	0.331	S	S	.	.	S	Bend	trans	-132.3	157.5	-167.8	66.4	0	0	0	0	114	A912 Y918	A912-T916 WeakPolarHBondContact O-CA 3.45Å; A912-T916 WeakPolarHBondContact O-CB 3.39Å; A912-T916 PolarHBondContact O-N 3.46Å; A912-T916 PolarHBondContact O-OG1 2.87Å; T916-Y918 PolarHBondContact O-N 3.36Å; T916-Y918 WeakPolarHBondContact OG1-CD2 3.23Å
917	T	44.7	Very low	61.2	Low	93 Å²	93	61.8 Å²	61.8	57%	0.571	32%	0.32	S	S	*	.			trans	-67.7	25.1	177.7	39.6	0	0	0	0	115	W919	T917-W919 VanDerWaalsContact C-N 3.26Å; T917-W919 PolarHBondContact O-N 3.38Å
918	Y	48.4	Very low	61.5	Low	133 Å²	133	63 Å²	63	52%	0.522	33%	0.331	S	S	.	.			trans	-80.2	71.8	-175.9	-85.5	-99.6	0	0	0	112.5	T916 K920 N921	T916-Y918 PolarHBondContact O-N 3.36Å; T916-Y918 WeakPolarHBondContact OG1-CD2 3.23Å; Y918-K920 HydrophobicContact CD1-CB 4.26Å; Y918-K920 PolarHBondContact O-N 2.81Å; Y918-N921 PolarHBondContact O-N 3.11Å; Y918-N921 VanDerWaalsContact O-N 3.17Å
919	W	46.3	Very low	62	Low	151 Å²	151	62.8 Å²	62.8	57%	0.572	33%	0.331	S	S	*	.	H	α-helix	trans	-47.5	-23.5	157.1	-84.4	88.1	0	0	0	113	T917 R922 A923	T917-W919 VanDerWaalsContact C-N 3.26Å; T917-W919 PolarHBondContact O-N 3.38Å; W919-R922 WeakPolarHBondContact O-CB 3.41Å; W919-R922 PolarHBondContact O-N 2.87Å; W919-A923 WeakPolarHBondContact O-CB 3.32Å; W919-A923 PolarHBondContact O-N 2.89Å
920	K	49.9	Very low	62.7	Low	153 Å²	153	63 Å²	63	67%	0.665	33%	0.333	S	S	*	.	H	α-helix	trans	-65.2	-42.7	177	-67.7	-174.2	178.5	-179.1	0	113.4	Y918 R922 A923 N924	Y918-K920 HydrophobicContact CD1-CB 4.26Å; Y918-K920 PolarHBondContact O-N 2.81Å; K920-R922 VanDerWaalsContact C-N 3.32Å; K920-R922 PolarHBondContact O-N 3.04Å; K920-A923 PolarHBondContact O-N 3.33Å; K920-N924 WeakPolarHBondContact O-CB 3.28Å; K920-N924 PolarHBondContact O-N 3.04Å; K920-N924 PolarHBondContact O-ND2 3.47Å; K920-N924 PolarHBondContact O-OD1 3.32Å
921	N	54.3	Low	63.7	Low	34 Å²	34	67.2 Å²	67.2	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-67.6	-35.9	178.2	-68.5	-8.9	0	0	0	110.9	V913 Y918 N924 S925	V913-N921 HydrophobicContact CG2-CB 4.26Å; Y918-N921 PolarHBondContact O-N 3.11Å; Y918-N921 VanDerWaalsContact O-N 3.17Å; N921-N924 PolarHBondContact O-N 2.92Å; N921-S925 PolarHBondContact O-N 3.49Å; N921-S925 VanDerWaalsContact O-N 3.1Å
922	R	59.5	Low	65.2	Low	41 Å²	41	67.3 Å²	67.3	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-49.2	169.4	172	-171.9	173.4	159	12.6	112	S574 L575 W919 K920 N924 S925 F926	S574-R922 PolarHBondContact O-NH1 3.44Å; L575-R922 VanDerWaalsContact C-CZ 3.46Å; L575-R922 VanDerWaalsContact O-CD 3.28Å; L575-R922 WeakPolarHBondContact O-CD 3.4Å; L575-R922 PolarHBondContact O-NE 3.29Å; L575-R922 PolarHBondContact O-NH1 3.37Å; L575-R922 PolarHBondContact O-NH2 2.88Å; L575-R922 VanDerWaalsContact O-NH2 3.16Å; W919-R922 WeakPolarHBondContact O-CB 3.41Å; W919-R922 PolarHBondContact O-N 2.87Å; K920-R922 VanDerWaalsContact C-N 3.32Å; K920-R922 PolarHBondContact O-N 3.04Å; R922-N924 PolarHBondContact O-N 3.25Å; R922-S925 PolarHBondContact O-N 3.17Å; R922-S925 PolarHBondContact O-OG 3.12Å; R922-F926 PolarHBondContact O-N 3.02Å
923	A	59.7	Low	67.3	Low	58 Å²	58	65.6 Å²	65.6	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-58.7	-35.8	178.1	0	0	0	0	0	110.4	W919 K920 F926 A927	W919-A923 WeakPolarHBondContact O-CB 3.32Å; W919-A923 PolarHBondContact O-N 2.89Å; K920-A923 PolarHBondContact O-N 3.33Å; A923-F926 CarbonylContact O-C 3.52Å; A923-A927 VanDerWaalsContact O-CA 3.31Å; A923-A927 WeakPolarHBondContact O-CA 3.42Å; A923-A927 WeakPolarHBondContact O-CB 3.3Å; A923-A927 PolarHBondContact O-N 3.11Å
924	N	71.2	Confident	69.2	Low	81 Å²	81	66.9 Å²	66.9	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-71.4	-41	179.2	-66.8	-12.4	0	0	0	113.5	R789 K920 N921 R922 F926 A927	R789-N924 PolarHBondContact NH1-O 3.3Å; R789-N924 VanDerWaalsContact NH1-O 3.12Å; K920-N924 WeakPolarHBondContact O-CB 3.28Å; K920-N924 PolarHBondContact O-N 3.04Å; K920-N924 PolarHBondContact O-ND2 3.47Å; K920-N924 PolarHBondContact O-OD1 3.32Å; N921-N924 PolarHBondContact O-N 2.92Å; R922-N924 PolarHBondContact O-N 3.25Å; N924-F926 VanDerWaalsContact C-N 3.33Å; N924-F926 PolarHBondContact O-N 2.89Å; N924-A927 PolarHBondContact O-N 3.3Å
925	S	75.1	Confident	71	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.014	32%	0.323	C	S	.	.	H	α-helix	trans	-69.4	-31.7	-180	66.3	0	0	0	0	112.8	W785 R789 N921 R922	W785-S925 PolarHBondContact NE1-O 3.42Å; W785-S925 VanDerWaalsContact NE1-O 3.16Å; R789-S925 WeakPolarHBondContact CD-O 3.43Å; N921-S925 PolarHBondContact O-N 3.49Å; N921-S925 VanDerWaalsContact O-N 3.1Å; R922-S925 PolarHBondContact O-N 3.17Å; R922-S925 PolarHBondContact O-OG 3.12Å
926	F	82.3	Confident	73	Confident	36 Å²	36	64.5 Å²	64.5	16%	0.158	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	7.3	172.5	-74.4	-95.6	0	0	0	113.7	I576 T781 Q784 W785 C788 F824 R922 A923 N924	I576-F926 HydrophobicContact CG2-CE1 4.35Å; I576-F926 HydrophobicContact CG2-CE2 4.07Å; I576-F926 HydrophobicContact CG2-CZ 3.58Å; T781-F926 HydrophobicContact CG2-CZ 4.4Å; Q784-F926 HydrophobicContact CB-CE1 4.45Å; Q784-F926 HydrophobicContact CG-CD1 4.2Å; Q784-F926 HydrophobicContact CG-CE1 4.08Å; W785-F926 HydrophobicContact CB-CD1 4.34Å; W785-F926 HydrophobicContact CB-CE1 3.71Å; W785-F926 HydrophobicContact CB-CZ 4.1Å; W785-F926 HydrophobicContact CG-CE1 4.41Å; C788-F926 HydrophobicContact CB-CB 4.3Å; C788-F926 HydrophobicContact CB-CD1 4.18Å; C788-F926 WeakPolarHBondContact CB-O 3.39Å; C788-F926 PolarHBondContact SG-O 3.19Å; F824-F926 HydrophobicContact CE1-CE2 4.05Å; F824-F926 AromaticContact CE1-CZ 3.97Å; F824-F926 HydrophobicContact CE1-CZ 3.97Å; F824-F926 HydrophobicContact CE2-CZ 4.37Å; F824-F926 HydrophobicContact CZ-CE2 4.08Å; F824-F926 AromaticContact CZ-CZ 3.72Å; F824-F926 HydrophobicContact CZ-CZ 3.72Å; R922-F926 PolarHBondContact O-N 3.02Å; A923-F926 CarbonylContact O-C 3.52Å; N924-F926 VanDerWaalsContact C-N 3.33Å; N924-F926 PolarHBondContact O-N 2.89Å
927	A	83	Confident	75.4	Confident	30 Å²	30	61.8 Å²	61.8	25%	0.248	30%	0.299	C	S	.	.	S	Bend	trans	-78	153.1	173.5	0	0	0	0	0	110.4	R789 A923 N924	R789-A927 PolarHBondContact NH1-O 3.2Å; A923-A927 VanDerWaalsContact O-CA 3.31Å; A923-A927 WeakPolarHBondContact O-CA 3.42Å; A923-A927 WeakPolarHBondContact O-CB 3.3Å; A923-A927 PolarHBondContact O-N 3.11Å; N924-A927 PolarHBondContact O-N 3.3Å
928	P	86.2	Confident	77.8	Confident	62 Å²	62	59.7 Å²	59.7	40%	0.403	28%	0.283	S	S	.	.			trans	-63	137.6	166.2	25.3	-32.3	0	0	0	111.2	C788 M790 L930	C788-P928 VanDerWaalsContact O-CA 3.3Å; C788-P928 WeakPolarHBondContact O-CA 3.4Å; M790-P928 HydrophobicContact CG-CB 4.01Å; M790-P928 HydrophobicContact SD-CB 3.49Å; M790-P928 WeakPolarHBondContact SD-CB 3.39Å; P928-L930 HydrophobicContact CB-CD2 3.87Å; P928-L930 HydrophobicContact CB-CG 3.99Å; P928-L930 HydrophobicContact CG-CD1 4.21Å; P928-L930 HydrophobicContact CG-CD2 4.12Å; P928-L930 HydrophobicContact CG-CG 3.91Å; P928-L930 PolarHBondContact O-N 3.41Å
929	P	89	Confident	79.9	Confident	8 Å²	8	53.5 Å²	53.5	5%	0.052	26%	0.259	C	S	.	.			trans	-72.3	50.8	178.1	25	-30.6	0	0	0	113.7	W896 R931 H932 F933	W896-P929 HydrophobicContact CH2-CG 3.96Å; W896-P929 HydrophobicContact CZ2-CB 4.13Å; W896-P929 HydrophobicContact CZ2-CG 3.87Å; P929-R931 PolarHBondContact O-N 2.88Å; P929-H932 PolarHBondContact O-N 3.39Å; P929-F933 HydrophobicContact CG-CE2 4.26Å; P929-F933 HydrophobicContact CG-CZ 4.02Å
930	L	89.1	Confident	82	Confident	62 Å²	62	47.5 Å²	47.5	33%	0.325	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-56.2	-32.4	-166.6	-65.5	-177.8	0	0	0	114.1	M790 P928 H932 F933 I936 Q1045	M790-L930 HydrophobicContact SD-CD2 4.2Å; P928-L930 HydrophobicContact CB-CD2 3.87Å; P928-L930 HydrophobicContact CB-CG 3.99Å; P928-L930 HydrophobicContact CG-CD1 4.21Å; P928-L930 HydrophobicContact CG-CD2 4.12Å; P928-L930 HydrophobicContact CG-CG 3.91Å; P928-L930 PolarHBondContact O-N 3.41Å; L930-H932 PolarHBondContact O-N 3.43Å; L930-F933 HydrophobicContact CD2-CD2 4.27Å; L930-F933 HydrophobicContact CD2-CE2 4.27Å; L930-F933 PolarHBondContact O-N 2.99Å; L930-I936 HydrophobicContact CB-CD1 3.87Å; L930-I936 HydrophobicContact CD1-CD1 4.49Å; L930-I936 HydrophobicContact CD2-CD1 4.02Å; L930-I936 HydrophobicContact CD2-CG1 4.44Å; L930-I936 HydrophobicContact CD2-CG2 4.42Å; L930-I936 HydrophobicContact CG-CD1 4.33Å; L930-Q1045 PolarHBondContact O-NE2 3.08Å; L930-Q1045 PolarHBondContact O-OE1 2.79Å
931	R	87.4	Confident	83.7	Confident	198 Å²	198	45.3 Å²	45.3	75%	0.747	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-67.4	-15.6	-179.5	-62.6	-176.1	-177.8	176.5	0.4	114.7	P929 Q1045	P929-R931 PolarHBondContact O-N 2.88Å; R931-Q1045 PolarHBondContact O-OE1 2.84Å
932	H	88.3	Confident	85	Confident	100 Å²	100	44.9 Å²	44.9	46%	0.463	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-90.9	-6.2	-179	-61.1	-47	0	0	0	113	W896 P929 L930	W896-H932 HydrophobicContact CZ2-CB 4.2Å; P929-H932 PolarHBondContact O-N 3.39Å; L930-H932 PolarHBondContact O-N 3.43Å
933	F	92.7	Very high	86.2	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.009	24%	0.237	C	C	.	.			trans	-94.1	136.8	-177.2	-58.4	-54.3	0	0	0	111.8	M790 W896 P929 L930 A935 I936 F989 V1000 I1001 Q1045	M790-F933 HydrophobicContact CB-CZ 4.4Å; M790-F933 HydrophobicContact CE-CE2 4.06Å; M790-F933 HydrophobicContact CE-CZ 4.27Å; M790-F933 HydrophobicContact SD-CE2 3.53Å; M790-F933 VanDerWaalsContact SD-CE2 3.53Å; M790-F933 HydrophobicContact SD-CZ 3.88Å; W896-F933 AromaticContact CH2-CE1 3.65Å; W896-F933 HydrophobicContact CH2-CE1 3.65Å; W896-F933 AromaticContact CH2-CZ 3.88Å; W896-F933 HydrophobicContact CH2-CZ 3.88Å; W896-F933 HydrophobicContact CZ2-CE1 4.4Å; W896-F933 HydrophobicContact CZ3-CE1 4.46Å; P929-F933 HydrophobicContact CG-CE2 4.26Å; P929-F933 HydrophobicContact CG-CZ 4.02Å; L930-F933 HydrophobicContact CD2-CD2 4.27Å; L930-F933 HydrophobicContact CD2-CE2 4.27Å; L930-F933 PolarHBondContact O-N 2.99Å; F933-A935 VanDerWaalsContact C-N 3.28Å; F933-A935 WeakPolarHBondContact CB-O 3.44Å; F933-A935 PolarHBondContact O-N 2.98Å; F933-I936 HydrophobicContact CB-CG1 4.28Å; F933-I936 HydrophobicContact CD2-CG1 4.47Å; F933-F989 HydrophobicContact CD1-CD2 4.13Å; F933-F989 HydrophobicContact CE1-CB 3.75Å; F933-F989 AromaticContact CE1-CD2 3.54Å; F933-F989 HydrophobicContact CE1-CD2 3.54Å; F933-F989 HydrophobicContact CE1-CE2 4.34Å; F933-F989 AromaticContact CE1-CG 3.76Å; F933-F989 HydrophobicContact CE1-CG 3.76Å; F933-F989 HydrophobicContact CZ-CB 3.89Å; F933-F989 HydrophobicContact CZ-CD2 4.49Å; F933-F989 HydrophobicContact CZ-CG 4.32Å; F933-V1000 CarbonylContact C-O 3.14Å; F933-I1001 HydrophobicContact CD1-CD1 4.03Å; F933-I1001 HydrophobicContact CD1-CG1 3.69Å; F933-I1001 HydrophobicContact CE1-CD1 4.25Å; F933-I1001 HydrophobicContact CE1-CG1 4.29Å; F933-Q1045 WeakPolarHBondContact O-CG 3.26Å; F933-Q1045 PolarHBondContact O-OE1 3.39Å
934	N	91.6	Very high	87.3	Confident	44 Å²	44	41.9 Å²	41.9	24%	0.235	21%	0.214	C	C	.	.	S	Bend	trans	-68.6	-30.2	174	-59.1	114	0	0	0	112.2	V1000 I1001 W1002 Q1045	N934-V1000 PolarHBondContact N-O 3.38Å; N934-I1001 WeakPolarHBondContact OD1-CA 3.42Å; N934-W1002 HydrophobicContact CB-CG 4.19Å; N934-W1002 PolarHBondContact OD1-N 2.68Å; N934-Q1045 PolarHBondContact O-N 3.24Å
935	A	92.7	Very high	87.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.8	171.7	0	0	0	0	0	111	F933 V1000 I1042 I1043	F933-A935 VanDerWaalsContact C-N 3.28Å; F933-A935 WeakPolarHBondContact CB-O 3.44Å; F933-A935 PolarHBondContact O-N 2.98Å; A935-V1000 HydrophobicContact CB-CB 4.14Å; A935-V1000 HydrophobicContact CB-CG2 4.42Å; A935-V1000 PolarHBondContact N-O 3.19Å; A935-V1000 WeakPolarHBondContact O-CB 3.49Å; A935-V1000 PolarHBondContact O-N 3.21Å; A935-I1042 HydrophobicContact CB-CG2 4.29Å; A935-I1043 CarbonylContact C-O 3.58Å; A935-I1043 VanDerWaalsContact CA-O 3.24Å; A935-I1043 WeakPolarHBondContact CA-O 3.33Å
936	I	95.1	Very high	87.1	Confident	9 Å²	9	38 Å²	38	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.3	177.1	-57.9	166.9	0	0	0	108	L930 F933 Q938 I998 I1042 I1043	L930-I936 HydrophobicContact CB-CD1 3.87Å; L930-I936 HydrophobicContact CD1-CD1 4.49Å; L930-I936 HydrophobicContact CD2-CD1 4.02Å; L930-I936 HydrophobicContact CD2-CG1 4.44Å; L930-I936 HydrophobicContact CD2-CG2 4.42Å; L930-I936 HydrophobicContact CG-CD1 4.33Å; F933-I936 HydrophobicContact CB-CG1 4.28Å; F933-I936 HydrophobicContact CD2-CG1 4.47Å; I936-Q938 HydrophobicContact CG2-CG 4.26Å; I936-Q938 PolarHBondContact O-N 2.69Å; I936-I998 WeakPolarHBondContact CA-O 3.34Å; I936-I1042 WeakPolarHBondContact O-CA 3.31Å; I936-I1043 HydrophobicContact CB-CB 4.44Å; I936-I1043 PolarHBondContact N-O 3.42Å; I936-I1043 PolarHBondContact O-N 3.32Å
937	I	96	Very high	86	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111	172.8	-54.5	171	0	0	0	107.1	L939 Y974 L978 S997 I998 V1000 F1031 V1039 I1042	I937-L939 HydrophobicContact CG2-CD2 4.12Å; I937-Y974 HydrophobicContact CG2-CE1 4.34Å; I937-L978 HydrophobicContact CD1-CD1 4.04Å; I937-S997 CarbonylContact O-C 3.51Å; I937-S997 WeakPolarHBondContact O-CA 3.42Å; I937-I998 HydrophobicContact CB-CB 4.15Å; I937-I998 HydrophobicContact CD1-CB 4.42Å; I937-I998 HydrophobicContact CD1-CG2 4.44Å; I937-I998 PolarHBondContact N-O 3.28Å; I937-I998 PolarHBondContact O-N 2.97Å; I937-V1000 HydrophobicContact CD1-CG2 3.9Å; I937-V1000 HydrophobicContact CG1-CG2 3.99Å; I937-F1031 HydrophobicContact CD1-CB 4.19Å; I937-F1031 HydrophobicContact CD1-CD2 4.12Å; I937-F1031 HydrophobicContact CD1-CG 4.31Å; I937-V1039 HydrophobicContact CG2-CB 4.32Å; I937-V1039 HydrophobicContact CG2-CG1 3.76Å; I937-V1039 HydrophobicContact CG2-CG2 3.62Å; I937-I1042 HydrophobicContact CB-CG1 4.41Å; I937-I1042 HydrophobicContact CG1-CD1 4.25Å; I937-I1042 HydrophobicContact CG1-CG1 4.19Å; I937-I1042 HydrophobicContact CG1-CG2 4.31Å; I937-I1042 HydrophobicContact CG2-CG1 4.21Å
938	Q	95.1	Very high	84.8	Confident	50 Å²	50	40.1 Å²	40.1	23%	0.234	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.4	175.1	-64.1	-165.1	-26.7	0	0	110.3	I936 Q1040 K1041 I1043	I936-Q938 HydrophobicContact CG2-CG 4.26Å; I936-Q938 PolarHBondContact O-N 2.69Å; Q938-Q1040 PolarHBondContact O-N 3.18Å; Q938-K1041 WeakPolarHBondContact CA-O 3.46Å; Q938-K1041 HydrophobicContact CB-CG 4.06Å; Q938-K1041 WeakPolarHBondContact CB-O 3.26Å; Q938-K1041 HydrophobicContact CG-CG 4.44Å; Q938-K1041 PolarHBondContact N-O 3.45Å; Q938-K1041 PolarHBondContact O-N 2.97Å; Q938-I1043 HydrophobicContact CG-CD1 4.16Å; Q938-I1043 VanDerWaalsContact NE2-CD1 3.3Å
939	L	94	Very high	83.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145	-176.1	-52.4	174.3	0	0	0	110.3	I937 E941 V944 V971 Y974 Y990 T996 I998 L1038 V1039	I937-L939 HydrophobicContact CG2-CD2 4.12Å; L939-E941 PolarHBondContact O-N 3.45Å; L939-V944 HydrophobicContact CB-CG2 3.7Å; L939-V944 HydrophobicContact CD1-CG2 4.05Å; L939-V971 HydrophobicContact CD1-CB 4.35Å; L939-V971 HydrophobicContact CD1-CG1 3.64Å; L939-V971 HydrophobicContact CD1-CG2 3.71Å; L939-Y974 HydrophobicContact CD2-CD1 4.44Å; L939-Y974 HydrophobicContact CD2-CE1 4.32Å; L939-Y990 HydrophobicContact CD1-CE2 4.01Å; L939-T996 PolarHBondContact N-O 3.1Å; L939-I998 HydrophobicContact CD1-CD1 4.32Å; L939-I998 HydrophobicContact CD1-CG1 4.24Å; L939-I998 HydrophobicContact CD2-CD1 4.03Å; L939-L1038 CarbonylContact C-O 3.19Å; L939-L1038 WeakPolarHBondContact CA-O 3.37Å; L939-L1038 HydrophobicContact CD2-CG 4.18Å; L939-V1039 HydrophobicContact CD2-CG2 4.35Å
940	A	90.8	Very high	81.4	Confident	25 Å²	25	43.8 Å²	43.8	21%	0.207	21%	0.211	C	C	.	.			trans	-66.7	113	173	0	0	0	0	0	109.8	G942 K943 V944 L1038 Q1040	A940-G942 PolarHBondContact O-N 2.84Å; A940-G942 VanDerWaalsContact O-N 3.08Å; A940-K943 HydrophobicContact CB-CB 4.36Å; A940-K943 HydrophobicContact CB-CG 4.17Å; A940-K943 WeakPolarHBondContact O-CA 3.36Å; A940-K943 PolarHBondContact O-N 3.4Å; A940-V944 PolarHBondContact O-N 2.97Å; A940-L1038 PolarHBondContact N-O 3.44Å; A940-Q1040 HydrophobicContact CB-CB 4.41Å
941	E	84	Confident	79.3	Confident	107 Å²	107	45.1 Å²	45.1	50%	0.5	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-55.8	-33.5	-171.6	-61.3	-157	133.5	0	0	114.1	L939 K943 V944 R947 R949 T996	L939-E941 PolarHBondContact O-N 3.45Å; E941-K943 PolarHBondContact O-N 3.22Å; E941-V944 PolarHBondContact O-N 3.04Å; E941-R947 IonicContact OE1-CZ 2.81Å; E941-R947 IonicContact OE1-NH1 2.7Å; E941-R947 PolarHBondContact OE1-NH1 3.48Å; E941-R947 IonicContact OE1-NH2 3.92Å; E941-R947 IonicContact OE2-NH1 3.67Å; E941-R949 PolarHBondContact O-NH2 3.45Å; E941-T996 HydrophobicContact CG-CG2 3.92Å
942	G	81.7	Confident	77.2	Confident	26 Å²	26	42.6 Å²	42.6	27%	0.268	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-64.8	-25.2	177	0	0	0	0	0	113.9	Q663 L664 A940 R949	Q663-G942 WeakPolarHBondContact CA-O 3.27Å; L664-G942 PolarHBondContact N-O 2.99Å; A940-G942 PolarHBondContact O-N 2.84Å; A940-G942 VanDerWaalsContact O-N 3.08Å; G942-R949 PolarHBondContact O-NH2 2.95Å
943	K	84.8	Confident	74.9	Confident	35 Å²	35	42.7 Å²	42.7	15%	0.152	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-99.9	-3.9	-178.2	-57.5	-67.4	-167.3	167.7	0	113.4	A661 L664 A940 E941 S970 L1038	A661-K943 PolarHBondContact O-NZ 3.34Å; L664-K943 HydrophobicContact CD1-CB 4.37Å; L664-K943 HydrophobicContact CD1-CD 4.34Å; L664-K943 WeakPolarHBondContact CD1-O 3.33Å; L664-K943 HydrophobicContact CG-CD 4.21Å; A940-K943 HydrophobicContact CB-CB 4.36Å; A940-K943 HydrophobicContact CB-CG 4.17Å; A940-K943 WeakPolarHBondContact O-CA 3.36Å; A940-K943 PolarHBondContact O-N 3.4Å; E941-K943 PolarHBondContact O-N 3.22Å; K943-S970 PolarHBondContact O-OG 2.9Å; K943-L1038 HydrophobicContact CB-CD1 3.67Å
944	V	83.3	Confident	72.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.			trans	-84.7	113	171.9	178.2	0	0	0	0	108.9	L939 A940 E941 R949 V971	L939-V944 HydrophobicContact CB-CG2 3.7Å; L939-V944 HydrophobicContact CD1-CG2 4.05Å; A940-V944 PolarHBondContact O-N 2.97Å; E941-V944 PolarHBondContact O-N 3.04Å; V944-R949 PolarHBondContact O-NH2 3.45Å; V944-V971 HydrophobicContact CB-CG2 4.48Å; V944-V971 HydrophobicContact CG1-CG2 4.14Å; V944-V971 HydrophobicContact CG2-CG2 4.18Å
945	T	75.5	Confident	70.1	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.012	28%	0.277	C	S	.	.			trans	-85.5	-30.5	-177.8	55.7	0	0	0	0	113.1	L664 W667 R947 F968 N969 S970	L664-T945 HydrophobicContact CB-CG2 3.64Å; L664-T945 HydrophobicContact CD1-CG2 3.71Å; L664-T945 HydrophobicContact CG-CG2 4.33Å; W667-T945 VanDerWaalsContact CB-C 3.47Å; W667-T945 WeakPolarHBondContact CB-O 3.17Å; W667-T945 PolarHBondContact N-O 3.21Å; T945-R947 PolarHBondContact O-N 3.11Å; T945-F968 WeakPolarHBondContact CB-O 3.43Å; T945-F968 HydrophobicContact CG2-CD1 4.02Å; T945-F968 HydrophobicContact CG2-CE1 4.13Å; T945-F968 PolarHBondContact OG1-O 2.87Å; T945-N969 WeakPolarHBondContact OG1-CA 3.29Å; T945-S970 PolarHBondContact OG1-N 3.04Å
946	C	67.2	Low	67.7	Low	1 Å²	1	54.9 Å²	54.9	1%	0.007	30%	0.297	C	S	.	.			trans	-65.2	-9.4	-169.6	74.7	0	0	0	0	115.9	Q948 Y990 H992	C946-Q948 PolarHBondContact O-N 3.17Å; C946-Y990 PolarHBondContact SG-OH 3.15Å; C946-H992 WeakPolarHBondContact CB-O 3.34Å; C946-H992 PolarHBondContact SG-O 3.35Å
947	R	59.4	Low	65.2	Low	70 Å²	70	59.3 Å²	59.3	26%	0.264	33%	0.327	S	S	.	.	S	Bend	trans	-72.2	116.7	172.2	-75.1	-177.1	162	-177.7	-4.4	109.2	E941 T945 R949	E941-R947 IonicContact OE1-CZ 2.81Å; E941-R947 IonicContact OE1-NH1 2.7Å; E941-R947 PolarHBondContact OE1-NH1 3.48Å; E941-R947 IonicContact OE1-NH2 3.92Å; E941-R947 IonicContact OE2-NH1 3.67Å; T945-R947 PolarHBondContact O-N 3.11Å; R947-R949 VanDerWaalsContact C-N 3.26Å; R947-R949 HydrophobicContact CB-CG 4.29Å; R947-R949 PolarHBondContact O-N 3.02Å
948	Q	56.8	Low	62.8	Low	39 Å²	39	68 Å²	68	18%	0.182	37%	0.367	C	S	.	.			trans	-62.2	97.1	155.5	-71.3	-163.7	-4.5	0	0	107.3	F584 N636 S637 C946	F584-Q948 VanDerWaalsContact CE1-O 3.27Å; F584-Q948 WeakPolarHBondContact CE1-O 3.36Å; F584-Q948 WeakPolarHBondContact CZ-O 3.49Å; N636-Q948 VanDerWaalsContact CB-CD 3.43Å; S637-Q948 PolarHBondContact O-NE2 3.21Å; C946-Q948 PolarHBondContact O-N 3.17Å
949	R	56.5	Low	60.6	Low	69 Å²	69	69.4 Å²	69.4	26%	0.26	38%	0.379	S	S	.	.			trans	-74.3	141.2	173	-66.3	-178.3	-176.6	147.3	4.2	107.6	L664 E941 G942 V944 R947 Q951	L664-R949 PolarHBondContact O-NH1 3Å; E941-R949 PolarHBondContact O-NH2 3.45Å; G942-R949 PolarHBondContact O-NH2 2.95Å; V944-R949 PolarHBondContact O-NH2 3.45Å; R947-R949 VanDerWaalsContact C-N 3.26Å; R947-R949 HydrophobicContact CB-CG 4.29Å; R947-R949 PolarHBondContact O-N 3.02Å; R949-Q951 PolarHBondContact O-N 3.43Å
950	P	48	Very low	58.5	Low	78 Å²	78	74.9 Å²	74.9	51%	0.506	42%	0.415	S	S	.	.			trans	-52.5	135.5	172.5	13.8	-21.2	0	0	0	108.7	F584 E952	F584-P950 HydrophobicContact CD1-CB 4.1Å; F584-P950 HydrophobicContact CE1-CB 4.25Å; P950-E952 PolarHBondContact O-N 3.34Å
951	Q	45.6	Very low	57.2	Low	90 Å²	90	79 Å²	79	42%	0.421	43%	0.433	S	S	.	.			trans	-54	112	166.8	-88	177.4	-47.3	0	0	106.3	Q642 R949 A953	Q642-Q951 VanDerWaalsContact CD-NE2 3.28Å; R949-Q951 PolarHBondContact O-N 3.43Å; Q951-A953 PolarHBondContact O-N 3.26Å
952	E	41.7	Very low	57.1	Low	145 Å²	145	75 Å²	75	68%	0.678	42%	0.418	S	S	*	.			trans	-54	126.9	148.2	-71.2	-178.9	179.3	0	0	104.4	P950 I954	P950-E952 PolarHBondContact O-N 3.34Å; E952-I954 HydrophobicContact CB-CD1 4.27Å; E952-I954 HydrophobicContact CB-CG1 3.68Å; E952-I954 WeakPolarHBondContact O-CG1 3.24Å; E952-I954 PolarHBondContact O-N 3.33Å
953	A	39.5	Very low	57.4	Low	102 Å²	102	74 Å²	74	84%	0.843	41%	0.406	S	S	*	.			trans	-65.2	80.4	169	0	0	0	0	0	106.2	Q951 D955	Q951-A953 PolarHBondContact O-N 3.26Å; A953-D955 PolarHBondContact O-N 3.49Å
954	I	43.7	Very low	57.5	Low	66 Å²	66	72.7 Å²	72.7	34%	0.338	40%	0.402	S	S	.	.			trans	-87.9	108.4	172	-40.8	179.2	0	0	0	104.1	E952 V956	E952-I954 HydrophobicContact CB-CD1 4.27Å; E952-I954 HydrophobicContact CB-CG1 3.68Å; E952-I954 WeakPolarHBondContact O-CG1 3.24Å; E952-I954 PolarHBondContact O-N 3.33Å; I954-V956 HydrophobicContact CB-CG2 3.7Å; I954-V956 HydrophobicContact CG2-CB 4.42Å; I954-V956 HydrophobicContact CG2-CG2 3.11Å; I954-V956 PolarHBondContact O-N 2.71Å
955	D	39.9	Very low	57.6	Low	166 Å²	166	73.3 Å²	73.3	89%	0.888	41%	0.405	S	S	*	.			trans	-65.1	56	163.7	-76.5	-34.1	0	0	0	109.3	A953 P957	A953-D955 PolarHBondContact O-N 3.49Å; D955-P957 WeakPolarHBondContact O-CD 3.5Å
956	V	43.7	Very low	58.2	Low	70 Å²	70	74.7 Å²	74.7	42%	0.424	41%	0.412	S	S	.	.			trans	-82.4	124	168.2	-159.7	0	0	0	0	106.4	I954 H958	I954-V956 HydrophobicContact CB-CG2 3.7Å; I954-V956 HydrophobicContact CG2-CB 4.42Å; I954-V956 HydrophobicContact CG2-CG2 3.11Å; I954-V956 PolarHBondContact O-N 2.71Å; V956-H958 PolarHBondContact O-N 3.21Å
957	P	42.4	Very low	59.1	Low	103 Å²	103	77.7 Å²	77.7	67%	0.669	43%	0.428	S	S	*	.			trans	-49.3	137.2	165.6	-17.9	27	0	0	0	108.5	D955 T959	D955-P957 WeakPolarHBondContact O-CD 3.5Å; P957-T959 PolarHBondContact O-N 3.5Å; P957-T959 PolarHBondContact O-OG1 2.86Å
958	H	44.7	Very low	60.4	Low	182 Å²	182	77.5 Å²	77.5	84%	0.843	43%	0.43	S	S	*	.			trans	-53.8	87.6	173.5	-69	-74.6	0	0	0	110.1	V956	V956-H958 PolarHBondContact O-N 3.21Å
959	T	50.4	Low	61.9	Low	80 Å²	80	76.4 Å²	76.4	49%	0.491	43%	0.425	S	S	.	.			trans	-70.5	147.8	173.3	12.2	0	0	0	0	109.3	P957	P957-T959 PolarHBondContact O-N 3.5Å; P957-T959 PolarHBondContact O-OG1 2.86Å
960	P	49.3	Very low	63.3	Low	117 Å²	117	73.9 Å²	73.9	76%	0.76	42%	0.418	S	S	*	.			trans	-65.9	149.2	-156.6	22.6	-30.1	0	0	0	114.4	A962	P960-A962 PolarHBondContact O-N 3Å
961	L	64.3	Low	65.4	Low	111 Å²	111	70.2 Å²	70.2	58%	0.581	39%	0.394	S	S	*	.			trans	-61.2	74.4	-161.2	-63.8	109.3	0	0	0	116.2	V711 L722	V711-L961 HydrophobicContact CG2-CB 3.6Å; V711-L961 HydrophobicContact CG2-CD2 4.16Å; V711-L961 HydrophobicContact CG2-CG 4.35Å; L722-L961 HydrophobicContact CD2-CB 4.13Å; L722-L961 HydrophobicContact CD2-CD2 4.14Å; L722-L961 HydrophobicContact CG-CD2 4.36Å
962	A	80.6	Confident	67.5	Low	23 Å²	23	67.8 Å²	67.8	19%	0.19	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-74.5	147.8	159.6	0	0	0	0	0	110.7	I650 D653 L722 P960 P964	I650-A962 HydrophobicContact CD1-CB 3.76Å; I650-A962 HydrophobicContact CG2-CB 4.12Å; D653-A962 CarbonylContact O-C 3.57Å; D653-A962 VanDerWaalsContact O-CA 3.28Å; D653-A962 WeakPolarHBondContact O-CA 3.5Å; D653-A962 WeakPolarHBondContact O-CB 3.42Å; L722-A962 WeakPolarHBondContact CD2-O 3.23Å; P960-A962 PolarHBondContact O-N 3Å; A962-P964 WeakPolarHBondContact O-CD 3.38Å
963	M	87.8	Confident	69.9	Low	5 Å²	5	64.3 Å²	64.3	3%	0.025	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-62.7	121	172.6	-174.9	65.2	66.3	0	0	109	D653 C654 A655 K713 L720 L722 V727	D653-M963 PolarHBondContact O-N 3.32Å; C654-M963 CarbonylContact C-O 3.53Å; C654-M963 WeakPolarHBondContact CA-O 3.07Å; A655-M963 WeakPolarHBondContact CB-O 3.22Å; A655-M963 PolarHBondContact N-O 3.01Å; K713-M963 HydrophobicContact CB-CE 3.9Å; K713-M963 HydrophobicContact CG-CB 3.93Å; K713-M963 HydrophobicContact CG-CE 3.74Å; K713-M963 HydrophobicContact CG-CG 4.18Å; L720-M963 HydrophobicContact CB-CE 3.7Å; L720-M963 HydrophobicContact CB-SD 4.12Å; L722-M963 HydrophobicContact CB-CE 4.14Å; L722-M963 HydrophobicContact CB-SD 4.19Å; V727-M963 HydrophobicContact CG1-SD 4.02Å; V727-M963 HydrophobicContact CG2-SD 3.98Å
964	P	87	Confident	72.6	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.052	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-69.7	169.3	-175.9	28.5	-35.4	0	0	0	112.4	S641 D643 L722 V727 A962 I966	S641-P964 VanDerWaalsContact OG-CB 3.28Å; S641-P964 WeakPolarHBondContact OG-CB 3.33Å; D643-P964 VanDerWaalsContact OD2-CA 3.23Å; D643-P964 WeakPolarHBondContact OD2-CA 3.16Å; D643-P964 WeakPolarHBondContact OD2-CB 3.3Å; L722-P964 HydrophobicContact CD1-CG 4.37Å; V727-P964 HydrophobicContact CG2-CG 3.58Å; A962-P964 WeakPolarHBondContact O-CD 3.38Å; P964-I966 HydrophobicContact CG-CG2 3.94Å; P964-I966 PolarHBondContact O-N 3.33Å; P964-I966 VanDerWaalsContact O-N 3.09Å
965	V	86.1	Confident	75	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.079	32%	0.318	C	S	.	.			trans	-67.9	108.8	169.3	-179.7	0	0	0	0	108.2	D643 V648 A655 P657 P665 F968	D643-V965 PolarHBondContact OD2-N 3.27Å; V648-V965 HydrophobicContact CG1-CG2 3.88Å; A655-V965 HydrophobicContact CB-CG2 4Å; A655-V965 VanDerWaalsContact O-CG2 3.28Å; A655-V965 WeakPolarHBondContact O-CG2 3.2Å; P657-V965 HydrophobicContact CG-CG1 3.83Å; P657-V965 HydrophobicContact CG-CG2 3.93Å; P665-V965 HydrophobicContact CG-CB 4.19Å; P665-V965 HydrophobicContact CG-CG1 4.23Å; P665-V965 HydrophobicContact CG-CG2 4.06Å; V965-F968 HydrophobicContact CG1-CB 3.63Å; V965-F968 HydrophobicContact CG1-CD1 4.26Å; V965-F968 HydrophobicContact CG1-CG 4.19Å
966	I	87.3	Confident	77.6	Confident	31 Å²	31	54.7 Å²	54.7	16%	0.159	30%	0.298	C	S	.	.			trans	-114	154	-178.1	61.2	166.6	0	0	0	112.2	R668 L720 V727 P964 F968	R668-I966 CarbonylContact O-C 3.49Å; R668-I966 WeakPolarHBondContact O-CA 3.28Å; L720-I966 HydrophobicContact CD1-CD1 3.4Å; L720-I966 HydrophobicContact CD1-CG1 4.49Å; L720-I966 HydrophobicContact CD2-CD1 3.43Å; L720-I966 VanDerWaalsContact CD2-CD1 3.43Å; L720-I966 HydrophobicContact CG-CD1 3.95Å; V727-I966 HydrophobicContact CB-CG2 3.99Å; V727-I966 HydrophobicContact CG1-CD1 3.97Å; V727-I966 HydrophobicContact CG1-CG2 4.11Å; V727-I966 HydrophobicContact CG2-CG2 3.74Å; P964-I966 HydrophobicContact CG-CG2 3.94Å; P964-I966 PolarHBondContact O-N 3.33Å; P964-I966 VanDerWaalsContact O-N 3.09Å; I966-F968 PolarHBondContact O-N 3.4Å
967	D	87	Confident	80.2	Confident	64 Å²	64	53.8 Å²	53.8	34%	0.342	29%	0.291	S	S	.	.	S	Bend	trans	51.1	15.6	175.6	-61.1	-27.2	0	0	0	114.9	R668 Q669 S670 R729 N969	R668-D967 PolarHBondContact O-N 3.46Å; Q669-D967 WeakPolarHBondContact CA-OD1 3.25Å; S670-D967 WeakPolarHBondContact CB-OD2 3.35Å; S670-D967 PolarHBondContact N-OD1 3.3Å; S670-D967 PolarHBondContact OG-OD1 2.98Å; S670-D967 PolarHBondContact OG-OD2 3.16Å; R729-D967 IonicContact NH1-OD2 2.75Å; D967-N969 PolarHBondContact O-N 3.32Å
968	F	86.9	Confident	82.8	Confident	66 Å²	66	48.9 Å²	48.9	29%	0.289	26%	0.259	S	S	.	.			trans	-86.9	97.6	-177.3	-177.3	-111.6	0	0	0	111	P657 L664 T945 V965 I966 L973	P657-F968 HydrophobicContact CG-CD1 4.14Å; P657-F968 HydrophobicContact CG-CE1 4.14Å; L664-F968 HydrophobicContact CD1-CE1 4.25Å; T945-F968 WeakPolarHBondContact CB-O 3.43Å; T945-F968 HydrophobicContact CG2-CD1 4.02Å; T945-F968 HydrophobicContact CG2-CE1 4.13Å; T945-F968 PolarHBondContact OG1-O 2.87Å; V965-F968 HydrophobicContact CG1-CB 3.63Å; V965-F968 HydrophobicContact CG1-CD1 4.26Å; V965-F968 HydrophobicContact CG1-CG 4.19Å; I966-F968 PolarHBondContact O-N 3.4Å; F968-L973 HydrophobicContact CD2-CD1 4.32Å; F968-L973 HydrophobicContact CE2-CD1 3.82Å
969	N	86.9	Confident	85.2	Confident	16 Å²	16	43.7 Å²	43.7	9%	0.086	23%	0.232	C	C	.	.			trans	-110.1	100	172.8	-170.4	-19.6	0	0	0	110.7	T945 D967 V971 S972 L973	T945-N969 WeakPolarHBondContact OG1-CA 3.29Å; D967-N969 PolarHBondContact O-N 3.32Å; N969-V971 PolarHBondContact O-N 2.92Å; N969-V971 PolarHBondContact OD1-N 3Å; N969-S972 PolarHBondContact ND2-OG 3.29Å; N969-S972 PolarHBondContact O-N 3.02Å; N969-S972 PolarHBondContact OD1-N 3.48Å; N969-S972 VanDerWaalsContact OD1-N 3.16Å; N969-L973 PolarHBondContact O-N 3.4Å; N969-L973 VanDerWaalsContact O-N 3.15Å
970	S	87.2	Confident	87.4	Confident	16 Å²	16	46.7 Å²	46.7	11%	0.112	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-35.9	179.1	53.5	0	0	0	0	112.3	K943 T945 Y974	K943-S970 PolarHBondContact O-OG 2.9Å; T945-S970 PolarHBondContact OG1-N 3.04Å; S970-Y974 PolarHBondContact O-N 3.14Å; S970-Y974 VanDerWaalsContact O-N 3.08Å
971	V	91.6	Very high	89.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-75.7	-36.7	-178.8	-169.5	0	0	0	0	111.5	L939 V944 N969 L973 Y974 L975 Y990 I998	L939-V971 HydrophobicContact CD1-CB 4.35Å; L939-V971 HydrophobicContact CD1-CG1 3.64Å; L939-V971 HydrophobicContact CD1-CG2 3.71Å; V944-V971 HydrophobicContact CB-CG2 4.48Å; V944-V971 HydrophobicContact CG1-CG2 4.14Å; V944-V971 HydrophobicContact CG2-CG2 4.18Å; N969-V971 PolarHBondContact O-N 2.92Å; N969-V971 PolarHBondContact OD1-N 3Å; V971-L973 VanDerWaalsContact C-N 3.33Å; V971-Y974 PolarHBondContact O-N 3.25Å; V971-L975 HydrophobicContact CG1-CD1 4.1Å; V971-L975 HydrophobicContact CG1-CG 4.32Å; V971-L975 WeakPolarHBondContact O-CB 3.26Å; V971-L975 VanDerWaalsContact O-CG 3.31Å; V971-L975 WeakPolarHBondContact O-CG 3.28Å; V971-L975 PolarHBondContact O-N 2.65Å; V971-Y990 HydrophobicContact CB-CE1 3.95Å; V971-Y990 HydrophobicContact CG1-CD1 4.06Å; V971-Y990 HydrophobicContact CG1-CD2 4.13Å; V971-Y990 HydrophobicContact CG1-CE1 3.62Å; V971-Y990 HydrophobicContact CG1-CE2 3.67Å; V971-Y990 HydrophobicContact CG1-CG 4.32Å; V971-Y990 VanDerWaalsContact CG1-CZ 3.42Å; V971-I998 HydrophobicContact CG1-CD1 4.02Å; V971-I998 HydrophobicContact CG1-CG1 4.38Å
972	S	90.6	Very high	91.1	Very high	40 Å²	40	41.7 Å²	41.7	28%	0.28	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-39.7	173.9	-62.8	0	0	0	0	112.1	N969 L975 R976	N969-S972 PolarHBondContact ND2-OG 3.29Å; N969-S972 PolarHBondContact O-N 3.02Å; N969-S972 PolarHBondContact OD1-N 3.48Å; N969-S972 VanDerWaalsContact OD1-N 3.16Å; S972-L975 PolarHBondContact O-N 2.72Å; S972-R976 PolarHBondContact O-N 2.94Å
973	L	91.4	Very high	91.7	Very high	71 Å²	71	41.3 Å²	41.3	37%	0.372	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-48.2	173.9	-66	173.7	0	0	0	110.7	F968 N969 V971 L975 R976 D977	F968-L973 HydrophobicContact CD2-CD1 4.32Å; F968-L973 HydrophobicContact CE2-CD1 3.82Å; N969-L973 PolarHBondContact O-N 3.4Å; N969-L973 VanDerWaalsContact O-N 3.15Å; V971-L973 VanDerWaalsContact C-N 3.33Å; L973-L975 PolarHBondContact O-N 3.21Å; L973-R976 WeakPolarHBondContact O-CB 3.47Å; L973-R976 PolarHBondContact O-N 2.77Å; L973-D977 VanDerWaalsContact O-CG 3.3Å; L973-D977 PolarHBondContact O-N 2.83Å; L973-D977 VanDerWaalsContact O-N 3.1Å
974	Y	95.1	Very high	91.9	Very high	8 Å²	8	48.5 Å²	48.5	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-40.4	176.8	176.1	-128.6	0	0	0	113.2	I937 L939 S970 V971 R976 D977 L978 I998 F1031 L1034 G1035 L1038 V1039	I937-Y974 HydrophobicContact CG2-CE1 4.34Å; L939-Y974 HydrophobicContact CD2-CD1 4.44Å; L939-Y974 HydrophobicContact CD2-CE1 4.32Å; S970-Y974 PolarHBondContact O-N 3.14Å; S970-Y974 VanDerWaalsContact O-N 3.08Å; V971-Y974 PolarHBondContact O-N 3.25Å; Y974-R976 VanDerWaalsContact C-N 3.33Å; Y974-R976 PolarHBondContact O-N 2.74Å; Y974-D977 PolarHBondContact O-N 3.12Å; Y974-L978 HydrophobicContact CD1-CD1 3.96Å; Y974-L978 HydrophobicContact CD2-CD1 4.37Å; Y974-L978 HydrophobicContact CD2-CG 4.11Å; Y974-L978 HydrophobicContact CE1-CD1 3.48Å; Y974-L978 VanDerWaalsContact CE1-CD1 3.48Å; Y974-L978 HydrophobicContact CE1-CG 4.16Å; Y974-L978 HydrophobicContact CE2-CD1 3.92Å; Y974-L978 HydrophobicContact CE2-CD2 3.97Å; Y974-L978 HydrophobicContact CE2-CG 3.64Å; Y974-L978 HydrophobicContact CG-CD1 4.38Å; Y974-L978 VanDerWaalsContact CZ-CD1 3.46Å; Y974-L978 WeakPolarHBondContact O-CB 3.17Å; Y974-L978 WeakPolarHBondContact O-CG 3.4Å; Y974-L978 PolarHBondContact O-N 3.28Å; Y974-I998 HydrophobicContact CD1-CD1 3.74Å; Y974-I998 HydrophobicContact CE1-CD1 3.73Å; Y974-F1031 PolarHBondContact OH-O 3.5Å; Y974-L1034 HydrophobicContact CD2-CB 4.5Å; Y974-L1034 HydrophobicContact CE2-CB 3.87Å; Y974-G1035 VanDerWaalsContact CE2-N 3.27Å; Y974-L1038 HydrophobicContact CD1-CD2 3.84Å; Y974-L1038 HydrophobicContact CG-CD2 3.88Å; Y974-V1039 HydrophobicContact CE1-CG2 3.78Å; Y974-V1039 WeakPolarHBondContact OH-CG2 3.47Å
975	L	95.4	Very high	92.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-37.5	176	-81.2	167.5	0	0	0	112.4	V971 S972 L973 L978 R979 F988 Y990 I998	V971-L975 HydrophobicContact CG1-CD1 4.1Å; V971-L975 HydrophobicContact CG1-CG 4.32Å; V971-L975 WeakPolarHBondContact O-CB 3.26Å; V971-L975 VanDerWaalsContact O-CG 3.31Å; V971-L975 WeakPolarHBondContact O-CG 3.28Å; V971-L975 PolarHBondContact O-N 2.65Å; S972-L975 PolarHBondContact O-N 2.72Å; L973-L975 PolarHBondContact O-N 3.21Å; L975-L978 HydrophobicContact CD2-CD1 4.47Å; L975-R979 WeakPolarHBondContact O-CB 3.32Å; L975-R979 WeakPolarHBondContact O-CD 3.38Å; L975-R979 WeakPolarHBondContact O-CG 3.41Å; L975-R979 PolarHBondContact O-N 3.49Å; L975-F988 HydrophobicContact CD2-CB 3.9Å; L975-Y990 HydrophobicContact CD1-CD1 3.52Å; L975-Y990 HydrophobicContact CD1-CE1 4.41Å; L975-Y990 HydrophobicContact CD1-CG 3.67Å; L975-I998 HydrophobicContact CD2-CD1 3.82Å; L975-I998 HydrophobicContact CD2-CG1 4.15Å; L975-I998 HydrophobicContact CD2-CG2 3.81Å; L975-I998 HydrophobicContact CG-CD1 4.09Å
976	R	95.1	Very high	92.5	Very high	123 Å²	123	49.7 Å²	49.7	46%	0.464	25%	0.245	S	C	.	.	H	α-helix	trans	-59.6	-52.4	172.7	179.4	-167.8	63.8	-163.9	-2.5	109.7	S972 L973 Y974 L978 R979 E980	S972-R976 PolarHBondContact O-N 2.94Å; L973-R976 WeakPolarHBondContact O-CB 3.47Å; L973-R976 PolarHBondContact O-N 2.77Å; Y974-R976 VanDerWaalsContact C-N 3.33Å; Y974-R976 PolarHBondContact O-N 2.74Å; R976-L978 VanDerWaalsContact C-N 3.33Å; R976-L978 PolarHBondContact O-N 2.89Å; R976-R979 PolarHBondContact O-N 3.47Å; R976-R979 VanDerWaalsContact O-N 3.1Å; R976-E980 HydrophobicContact CG-CG 4.43Å; R976-E980 VanDerWaalsContact CG-OE1 3.28Å; R976-E980 WeakPolarHBondContact CG-OE1 3.38Å; R976-E980 WeakPolarHBondContact O-CG 3.49Å; R976-E980 PolarHBondContact O-N 3.17Å
977	D	96.6	Very high	92.8	Very high	52 Å²	52	49.8 Å²	49.8	28%	0.278	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-38.2	-177.6	-57.4	-7	0	0	0	111.5	L973 Y974 T981	L973-D977 VanDerWaalsContact O-CG 3.3Å; L973-D977 PolarHBondContact O-N 2.83Å; L973-D977 VanDerWaalsContact O-N 3.1Å; Y974-D977 PolarHBondContact O-N 3.12Å; D977-T981 VanDerWaalsContact O-CB 3.28Å; D977-T981 WeakPolarHBondContact O-CB 3.3Å; D977-T981 PolarHBondContact O-N 2.89Å; D977-T981 PolarHBondContact O-OG1 2.83Å
978	L	97.1	Very high	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-44.7	171.7	-82.5	175.5	0	0	0	112.5	I937 Y974 L975 R976 Y982 F988 I998 F1031 L1034	I937-L978 HydrophobicContact CD1-CD1 4.04Å; Y974-L978 HydrophobicContact CD1-CD1 3.96Å; Y974-L978 HydrophobicContact CD2-CD1 4.37Å; Y974-L978 HydrophobicContact CD2-CG 4.11Å; Y974-L978 HydrophobicContact CE1-CD1 3.48Å; Y974-L978 VanDerWaalsContact CE1-CD1 3.48Å; Y974-L978 HydrophobicContact CE1-CG 4.16Å; Y974-L978 HydrophobicContact CE2-CD1 3.92Å; Y974-L978 HydrophobicContact CE2-CD2 3.97Å; Y974-L978 HydrophobicContact CE2-CG 3.64Å; Y974-L978 HydrophobicContact CG-CD1 4.38Å; Y974-L978 VanDerWaalsContact CZ-CD1 3.46Å; Y974-L978 WeakPolarHBondContact O-CB 3.17Å; Y974-L978 WeakPolarHBondContact O-CG 3.4Å; Y974-L978 PolarHBondContact O-N 3.28Å; L975-L978 HydrophobicContact CD2-CD1 4.47Å; R976-L978 VanDerWaalsContact C-N 3.33Å; R976-L978 PolarHBondContact O-N 2.89Å; L978-Y982 HydrophobicContact CD2-CD2 4.09Å; L978-Y982 WeakPolarHBondContact O-CA 3.46Å; L978-Y982 WeakPolarHBondContact O-CB 3.39Å; L978-Y982 PolarHBondContact O-N 2.93Å; L978-F988 HydrophobicContact CB-CD1 4.4Å; L978-F988 HydrophobicContact CB-CD2 4.31Å; L978-F988 HydrophobicContact CB-CE1 4.23Å; L978-F988 HydrophobicContact CB-CE2 4.14Å; L978-F988 HydrophobicContact CB-CG 4.44Å; L978-F988 HydrophobicContact CB-CZ 4.1Å; L978-F988 HydrophobicContact CD1-CD1 3.94Å; L978-F988 HydrophobicContact CD1-CE1 4.02Å; L978-F988 HydrophobicContact CD2-CE1 4.02Å; L978-F988 HydrophobicContact CD2-CZ 4.15Å; L978-F988 HydrophobicContact CG-CE1 4.34Å; L978-F988 WeakPolarHBondContact O-CE2 3.43Å; L978-I998 HydrophobicContact CD1-CD1 4.25Å; L978-F1031 HydrophobicContact CD2-CB 4.19Å; L978-F1031 HydrophobicContact CD2-CD1 3.67Å; L978-F1031 HydrophobicContact CD2-CE1 4.38Å; L978-F1031 HydrophobicContact CD2-CG 4.13Å; L978-L1034 HydrophobicContact CD2-CD1 4.3Å
979	R	95.4	Very high	93.7	Very high	73 Å²	73	43.8 Å²	43.8	28%	0.275	22%	0.217	S	C	.	.	H	α-helix	trans	-71.7	-38.6	-178.5	-74	167.8	-180	157.3	6.3	111.7	D793 L975 R976 G983 F988	D793-R979 VanDerWaalsContact CB-NH2 3.29Å; D793-R979 IonicContact OD1-NH1 3.52Å; D793-R979 PolarHBondContact OD1-NH1 2.85Å; D793-R979 IonicContact OD2-CZ 2.83Å; D793-R979 IonicContact OD2-NH1 2.91Å; D793-R979 PolarHBondContact OD2-NH1 2.91Å; D793-R979 IonicContact OD2-NH2 3.98Å; D793-R979 PolarHBondContact OD2-NH2 3.48Å; L975-R979 WeakPolarHBondContact O-CB 3.32Å; L975-R979 WeakPolarHBondContact O-CD 3.38Å; L975-R979 WeakPolarHBondContact O-CG 3.41Å; L975-R979 PolarHBondContact O-N 3.49Å; R976-R979 PolarHBondContact O-N 3.47Å; R976-R979 VanDerWaalsContact O-N 3.1Å; R979-G983 WeakPolarHBondContact O-CA 3.19Å; R979-G983 PolarHBondContact O-N 3.09Å; R979-F988 HydrophobicContact CG-CD2 3.93Å; R979-F988 PolarHBondContact NH2-O 2.95Å
980	E	95.9	Very high	94.1	Very high	143 Å²	143	43 Å²	43	67%	0.668	21%	0.213	S	C	*	.	H	α-helix	trans	-64.9	-43.4	174.9	-73.2	176.1	-173.5	0	0	111.2	R976	R976-E980 HydrophobicContact CG-CG 4.43Å; R976-E980 VanDerWaalsContact CG-OE1 3.28Å; R976-E980 WeakPolarHBondContact CG-OE1 3.38Å; R976-E980 WeakPolarHBondContact O-CG 3.49Å; R976-E980 PolarHBondContact O-N 3.17Å
981	T	96	Very high	94.2	Very high	79 Å²	79	42.9 Å²	42.9	49%	0.485	21%	0.211	S	C	.	.	H	α-helix	trans	-79.6	-42.3	-176.7	-49.7	0	0	0	0	112.8	D977 L1034	D977-T981 VanDerWaalsContact O-CB 3.28Å; D977-T981 WeakPolarHBondContact O-CB 3.3Å; D977-T981 PolarHBondContact O-N 2.89Å; D977-T981 PolarHBondContact O-OG1 2.83Å; T981-L1034 HydrophobicContact CG2-CD1 4.15Å
982	Y	95.4	Very high	94	Very high	43 Å²	43	45.2 Å²	45.2	17%	0.169	22%	0.222	C	C	.	.	H	α-helix	trans	-125	2.9	-167.8	-59.1	-68.2	0	0	0	114.4	L978 Q984 L985 A986 I1027 G1030 F1031 L1034	L978-Y982 HydrophobicContact CD2-CD2 4.09Å; L978-Y982 WeakPolarHBondContact O-CA 3.46Å; L978-Y982 WeakPolarHBondContact O-CB 3.39Å; L978-Y982 PolarHBondContact O-N 2.93Å; Y982-Q984 PolarHBondContact O-N 3.02Å; Y982-Q984 VanDerWaalsContact O-N 3.07Å; Y982-L985 HydrophobicContact CD1-CD1 4.35Å; Y982-L985 PolarHBondContact O-N 3.14Å; Y982-A986 PolarHBondContact O-N 3.07Å; Y982-I1027 HydrophobicContact CD1-CG2 4.06Å; Y982-I1027 HydrophobicContact CE1-CG2 4.26Å; Y982-G1030 WeakPolarHBondContact OH-CA 3.43Å; Y982-F1031 HydrophobicContact CD1-CE1 4.14Å; Y982-F1031 AromaticContact CD2-CD1 3.55Å; Y982-F1031 HydrophobicContact CD2-CD1 3.55Å; Y982-F1031 AromaticContact CD2-CE1 3.54Å; Y982-F1031 HydrophobicContact CD2-CE1 3.54Å; Y982-F1031 AromaticContact CE2-CD1 3.72Å; Y982-F1031 HydrophobicContact CE2-CD1 3.72Å; Y982-F1031 HydrophobicContact CE2-CE1 4.07Å; Y982-F1031 HydrophobicContact CG-CD1 4.09Å; Y982-F1031 AromaticContact CG-CE1 3.58Å; Y982-F1031 HydrophobicContact CG-CE1 3.58Å; Y982-L1034 HydrophobicContact CD2-CD1 3.93Å; Y982-L1034 HydrophobicContact CE2-CD1 3.43Å; Y982-L1034 VanDerWaalsContact CE2-CD1 3.43Å; Y982-L1034 HydrophobicContact CE2-CG 4.26Å
983	G	93.2	Very high	93.3	Very high	16 Å²	16	44.3 Å²	44.3	17%	0.165	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.5	-178.3	0	0	0	0	0	114.1	R979 L985 K1003	R979-G983 WeakPolarHBondContact O-CA 3.19Å; R979-G983 PolarHBondContact O-N 3.09Å; G983-L985 VanDerWaalsContact C-N 3.33Å; G983-K1003 WeakPolarHBondContact O-CE 3.39Å; G983-K1003 PolarHBondContact O-NZ 3.12Å
984	Q	92.1	Very high	92.5	Very high	156 Å²	156	44.6 Å²	44.6	73%	0.729	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-22	172	-62.9	-62.3	-4.5	0	0	113.4	Y982 K1003	Y982-Q984 PolarHBondContact O-N 3.02Å; Y982-Q984 VanDerWaalsContact O-N 3.07Å; Q984-K1003 WeakPolarHBondContact O-CD 3.42Å
985	L	92.5	Very high	91.8	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.236	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-34.1	-175.9	-51.6	-178.7	0	0	0	112.2	Y982 G983 K1003 F1006 I1027	Y982-L985 HydrophobicContact CD1-CD1 4.35Å; Y982-L985 PolarHBondContact O-N 3.14Å; G983-L985 VanDerWaalsContact C-N 3.33Å; L985-K1003 WeakPolarHBondContact O-CB 3.37Å; L985-K1003 PolarHBondContact O-N 3.45Å; L985-F1006 HydrophobicContact CB-CB 4.4Å; L985-F1006 HydrophobicContact CB-CD2 4.29Å; L985-F1006 HydrophobicContact CB-CG 4.15Å; L985-F1006 HydrophobicContact CD2-CB 4.43Å; L985-F1006 HydrophobicContact CD2-CD2 3.8Å; L985-F1006 HydrophobicContact CD2-CG 4.32Å; L985-F1006 HydrophobicContact CG-CD2 4.45Å; L985-I1027 HydrophobicContact CD1-CD1 3.8Å; L985-I1027 HydrophobicContact CD1-CG1 4.28Å
986	A	93.4	Very high	91.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	160.7	-172.9	0	0	0	0	0	113.4	Y982 F988 V1000 I1001 W1002	Y982-A986 PolarHBondContact O-N 3.07Å; A986-F988 HydrophobicContact CB-CE2 4.13Å; A986-F988 HydrophobicContact CB-CZ 3.97Å; A986-V1000 HydrophobicContact CB-CG1 3.79Å; A986-I1001 CarbonylContact C-O 3.54Å; A986-I1001 VanDerWaalsContact CA-O 3.27Å; A986-I1001 WeakPolarHBondContact CA-O 3.28Å; A986-W1002 HydrophobicContact CB-CE3 3.78Å; A986-W1002 HydrophobicContact CB-CZ3 3.87Å
987	L	94.7	Very high	91.4	Very high	33 Å²	33	41.2 Å²	41.2	17%	0.173	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.1	166.5	-63.8	175.9	0	0	0	109.2	V893 F989 V1000 I1001 K1003	V893-L987 HydrophobicContact CG2-CD1 4.28Å; L987-F989 HydrophobicContact CB-CD2 4.43Å; L987-F989 HydrophobicContact CB-CE2 3.53Å; L987-F989 HydrophobicContact CB-CZ 3.84Å; L987-F989 HydrophobicContact CD1-CE2 4.44Å; L987-F989 HydrophobicContact CD1-CZ 4.08Å; L987-V1000 WeakPolarHBondContact O-CA 3.17Å; L987-I1001 PolarHBondContact N-O 3.06Å; L987-I1001 PolarHBondContact O-N 3.12Å; L987-K1003 HydrophobicContact CG-CG 4.28Å
988	F	96.3	Very high	91.4	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114.3	-174.3	-61.3	-82.8	0	0	0	110.6	Y794 L975 L978 R979 A986 I998 G999 V1000 F1031	Y794-F988 WeakPolarHBondContact CE2-O 3.45Å; Y794-F988 PolarHBondContact OH-N 3.18Å; Y794-F988 PolarHBondContact OH-O 3.06Å; L975-F988 HydrophobicContact CD2-CB 3.9Å; L978-F988 HydrophobicContact CB-CD1 4.4Å; L978-F988 HydrophobicContact CB-CD2 4.31Å; L978-F988 HydrophobicContact CB-CE1 4.23Å; L978-F988 HydrophobicContact CB-CE2 4.14Å; L978-F988 HydrophobicContact CB-CG 4.44Å; L978-F988 HydrophobicContact CB-CZ 4.1Å; L978-F988 HydrophobicContact CD1-CD1 3.94Å; L978-F988 HydrophobicContact CD1-CE1 4.02Å; L978-F988 HydrophobicContact CD2-CE1 4.02Å; L978-F988 HydrophobicContact CD2-CZ 4.15Å; L978-F988 HydrophobicContact CG-CE1 4.34Å; L978-F988 WeakPolarHBondContact O-CE2 3.43Å; R979-F988 HydrophobicContact CG-CD2 3.93Å; R979-F988 PolarHBondContact NH2-O 2.95Å; A986-F988 HydrophobicContact CB-CE2 4.13Å; A986-F988 HydrophobicContact CB-CZ 3.97Å; F988-I998 HydrophobicContact CB-CG2 4.11Å; F988-I998 HydrophobicContact CD1-CG2 4.18Å; F988-G999 WeakPolarHBondContact CA-O 3.2Å; F988-V1000 HydrophobicContact CD1-CG1 4.5Å; F988-V1000 HydrophobicContact CD1-CG2 4Å; F988-V1000 HydrophobicContact CE1-CG1 4.18Å; F988-V1000 HydrophobicContact CE1-CG2 4.05Å; F988-F1031 HydrophobicContact CE1-CD1 4.48Å; F988-F1031 HydrophobicContact CE1-CE1 4.05Å; F988-F1031 HydrophobicContact CE1-CE2 4.36Å; F988-F1031 AromaticContact CE1-CZ 3.97Å; F988-F1031 HydrophobicContact CE1-CZ 3.97Å; F988-F1031 HydrophobicContact CZ-CD1 4.46Å; F988-F1031 AromaticContact CZ-CE1 3.78Å; F988-F1031 HydrophobicContact CZ-CE1 3.78Å; F988-F1031 AromaticContact CZ-CZ 3.94Å; F988-F1031 HydrophobicContact CZ-CZ 3.94Å
989	F	96.1	Very high	91.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.9	-174.1	-62.8	-82.6	0	0	0	110.4	M790 L791 Y794 V893 W896 F933 L987 I998 G999 I1001	M790-F989 HydrophobicContact CB-CB 3.92Å; M790-F989 WeakPolarHBondContact CE-O 3.08Å; M790-F989 CarbonylContact O-C 3.44Å; M790-F989 WeakPolarHBondContact O-CA 3.43Å; M790-F989 WeakPolarHBondContact O-CB 3.42Å; L791-F989 HydrophobicContact CD2-CD1 4.21Å; L791-F989 HydrophobicContact CD2-CE1 4.23Å; Y794-F989 AromaticContact CD2-CD1 3.61Å; Y794-F989 HydrophobicContact CD2-CD1 3.61Å; Y794-F989 AromaticContact CD2-CE1 3.72Å; Y794-F989 HydrophobicContact CD2-CE1 3.72Å; Y794-F989 HydrophobicContact CE1-CE1 4.27Å; Y794-F989 AromaticContact CE2-CD1 3.24Å; Y794-F989 HydrophobicContact CE2-CD1 3.24Å; Y794-F989 AromaticContact CE2-CE1 3.36Å; Y794-F989 HydrophobicContact CE2-CE1 3.36Å; Y794-F989 AromaticContact CE2-CG 4Å; Y794-F989 HydrophobicContact CE2-CG 4Å; Y794-F989 HydrophobicContact CE2-CZ 4.2Å; Y794-F989 HydrophobicContact CG-CE1 4.31Å; Y794-F989 AromaticContact CZ-CD1 3.99Å; Y794-F989 AromaticContact CZ-CE1 3.67Å; V893-F989 HydrophobicContact CG2-CE1 4.34Å; V893-F989 HydrophobicContact CG2-CZ 4.34Å; W896-F989 HydrophobicContact CE3-CD1 4.45Å; W896-F989 AromaticContact CE3-CE1 3.88Å; W896-F989 HydrophobicContact CE3-CE1 3.88Å; W896-F989 HydrophobicContact CE3-CZ 4.17Å; W896-F989 HydrophobicContact CH2-CD1 4.33Å; W896-F989 HydrophobicContact CH2-CE1 4.44Å; W896-F989 HydrophobicContact CH2-CG 4.48Å; W896-F989 AromaticContact CZ3-CD1 3.54Å; W896-F989 HydrophobicContact CZ3-CD1 3.54Å; W896-F989 HydrophobicContact CZ3-CD2 4.45Å; W896-F989 AromaticContact CZ3-CE1 3.38Å; W896-F989 HydrophobicContact CZ3-CE1 3.38Å; W896-F989 HydrophobicContact CZ3-CE2 4.31Å; W896-F989 HydrophobicContact CZ3-CG 4.08Å; W896-F989 AromaticContact CZ3-CZ 3.78Å; W896-F989 HydrophobicContact CZ3-CZ 3.78Å; F933-F989 HydrophobicContact CD1-CD2 4.13Å; F933-F989 HydrophobicContact CE1-CB 3.75Å; F933-F989 AromaticContact CE1-CD2 3.54Å; F933-F989 HydrophobicContact CE1-CD2 3.54Å; F933-F989 HydrophobicContact CE1-CE2 4.34Å; F933-F989 AromaticContact CE1-CG 3.76Å; F933-F989 HydrophobicContact CE1-CG 3.76Å; F933-F989 HydrophobicContact CZ-CB 3.89Å; F933-F989 HydrophobicContact CZ-CD2 4.49Å; F933-F989 HydrophobicContact CZ-CG 4.32Å; L987-F989 HydrophobicContact CB-CD2 4.43Å; L987-F989 HydrophobicContact CB-CE2 3.53Å; L987-F989 HydrophobicContact CB-CZ 3.84Å; L987-F989 HydrophobicContact CD1-CE2 4.44Å; L987-F989 HydrophobicContact CD1-CZ 4.08Å; F989-I998 CarbonylContact O-C 3.55Å; F989-I998 WeakPolarHBondContact O-CA 3.4Å; F989-I998 WeakPolarHBondContact O-CG2 3.38Å; F989-G999 PolarHBondContact N-O 2.96Å; F989-G999 PolarHBondContact O-N 3.38Å; F989-I1001 HydrophobicContact CD2-CD1 4.25Å; F989-I1001 HydrophobicContact CD2-CG1 4.15Å; F989-I1001 HydrophobicContact CE2-CB 4.02Å; F989-I1001 HydrophobicContact CE2-CD1 3.57Å; F989-I1001 HydrophobicContact CE2-CG1 3.66Å; F989-I1001 HydrophobicContact CZ-CD1 4.13Å
990	Y	94.4	Very high	91.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-149.9	149.9	-175.7	-174	-120.6	0	0	0	112.8	M790 S792 L939 C946 V971 L975 H992 G995 S997 I998	M790-Y990 CarbonylContact C-O 3.58Å; M790-Y990 VanDerWaalsContact CA-O 3.32Å; M790-Y990 WeakPolarHBondContact CA-O 3.32Å; M790-Y990 PolarHBondContact O-N 3.41Å; S792-Y990 PolarHBondContact OG-O 2.99Å; L939-Y990 HydrophobicContact CD1-CE2 4.01Å; C946-Y990 PolarHBondContact SG-OH 3.15Å; V971-Y990 HydrophobicContact CB-CE1 3.95Å; V971-Y990 HydrophobicContact CG1-CD1 4.06Å; V971-Y990 HydrophobicContact CG1-CD2 4.13Å; V971-Y990 HydrophobicContact CG1-CE1 3.62Å; V971-Y990 HydrophobicContact CG1-CE2 3.67Å; V971-Y990 HydrophobicContact CG1-CG 4.32Å; V971-Y990 VanDerWaalsContact CG1-CZ 3.42Å; L975-Y990 HydrophobicContact CD1-CD1 3.52Å; L975-Y990 HydrophobicContact CD1-CE1 4.41Å; L975-Y990 HydrophobicContact CD1-CG 3.67Å; Y990-H992 AromaticContact CD1-CD2 3.47Å; Y990-H992 VanDerWaalsContact CD1-CD2 3.47Å; Y990-H992 WeakPolarHBondContact CD1-CD2 3.43Å; Y990-G995 PolarHBondContact OH-O 2.89Å; Y990-S997 WeakPolarHBondContact CD2-O 3.31Å; Y990-I998 HydrophobicContact CD2-CG1 3.78Å; Y990-I998 HydrophobicContact CE2-CG1 4.38Å; Y990-I998 HydrophobicContact CG-CG1 4.4Å
991	N	91	Very high	91.2	Very high	14 Å²	14	30.3 Å²	30.3	8%	0.075	16%	0.159	C	C	.	.			trans	-100.8	106.7	172.5	176.7	-9.3	0	0	0	108.6	S787 M790 W993 Q994 G995	S787-N991 WeakPolarHBondContact O-CA 3.49Å; S787-N991 WeakPolarHBondContact O-CB 3.49Å; M790-N991 HydrophobicContact CG-CB 4.39Å; N991-W993 PolarHBondContact O-N 2.67Å; N991-W993 VanDerWaalsContact O-N 3.14Å; N991-W993 PolarHBondContact OD1-N 2.94Å; N991-Q994 PolarHBondContact OD1-N 3.37Å; N991-G995 WeakPolarHBondContact O-CA 3.31Å; N991-G995 PolarHBondContact O-N 3.44Å
992	H	85.4	Confident	91	Very high	49 Å²	49	27.6 Å²	27.6	23%	0.227	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.7	-176.3	-78.8	-148.5	0	0	0	113.9	S792 D793 C946 Y990	S792-H992 WeakPolarHBondContact CB-CD2 3.43Å; S792-H992 PolarHBondContact OG-N 2.98Å; D793-H992 IonicContact OD1-CE1 3.23Å; D793-H992 PolarHBondContact OD1-CE1 3.17Å; D793-H992 IonicContact OD1-NE2 3.79Å; D793-H992 PolarHBondContact OD1-NE2 2.96Å; D793-H992 IonicContact OD2-CD2 2.92Å; D793-H992 IonicContact OD2-CE1 2.72Å; D793-H992 IonicContact OD2-NE2 3.63Å; D793-H992 PolarHBondContact OD2-NE2 3.3Å; C946-H992 WeakPolarHBondContact CB-O 3.34Å; C946-H992 PolarHBondContact SG-O 3.35Å; Y990-H992 AromaticContact CD1-CD2 3.47Å; Y990-H992 VanDerWaalsContact CD1-CD2 3.47Å; Y990-H992 WeakPolarHBondContact CD1-CD2 3.43Å
993	W	77.2	Confident	90.9	Very high	20 Å²	20	28.1 Å²	28.1	8%	0.076	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-34	-171.8	-64.5	97.5	0	0	0	114.4	E634 I635 N636 W667 S787 N991	E634-W993 HydrophobicContact CG-CH2 4.27Å; E634-W993 WeakPolarHBondContact OE1-CH2 3.3Å; E634-W993 VanDerWaalsContact OE1-CZ2 3.24Å; E634-W993 WeakPolarHBondContact OE1-CZ2 3.42Å; I635-W993 HydrophobicContact CB-CD2 4.26Å; I635-W993 HydrophobicContact CB-CH2 4.37Å; I635-W993 HydrophobicContact CB-CZ2 4.07Å; I635-W993 HydrophobicContact CD1-CD2 4.16Å; I635-W993 HydrophobicContact CD1-CG 4.08Å; I635-W993 HydrophobicContact CD1-CZ2 4.24Å; I635-W993 VanDerWaalsContact CD1-NE1 3.27Å; I635-W993 HydrophobicContact CG1-CZ2 4.09Å; N636-W993 HydrophobicContact CB-CZ3 4.32Å; W667-W993 HydrophobicContact CH2-CH2 4.35Å; W667-W993 HydrophobicContact CH2-CZ3 4.18Å; W667-W993 HydrophobicContact CZ3-CE3 4.49Å; W667-W993 HydrophobicContact CZ3-CH2 4.46Å; W667-W993 AromaticContact CZ3-CZ3 3.85Å; W667-W993 HydrophobicContact CZ3-CZ3 3.85Å; S787-W993 VanDerWaalsContact OG-CD1 3.27Å; N991-W993 PolarHBondContact O-N 2.67Å; N991-W993 VanDerWaalsContact O-N 3.14Å; N991-W993 PolarHBondContact OD1-N 2.94Å
994	Q	73.8	Confident	90.6	Very high	77 Å²	77	32.5 Å²	32.5	36%	0.36	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	1.1	-177.2	-70.5	-164.5	-15.6	0	0	114.9	Y578 N991 T996	Y578-Q994 PolarHBondContact OH-NE2 2.84Å; N991-Q994 PolarHBondContact OD1-N 3.37Å; Q994-T996 PolarHBondContact O-N 2.95Å
995	G	81.7	Confident	90.4	Very high	7 Å²	7	28.7 Å²	28.7	7%	0.072	16%	0.159	C	C	.	.			trans	-60.4	126.4	-171.7	0	0	0	0	0	112.8	Y990 N991	Y990-G995 PolarHBondContact OH-O 2.89Å; N991-G995 WeakPolarHBondContact O-CA 3.31Å; N991-G995 PolarHBondContact O-N 3.44Å
996	T	88.2	Confident	90.1	Very high	35 Å²	35	27 Å²	27	22%	0.215	15%	0.15	C	C	.	.	S	Bend	trans	-111.8	12.8	163.2	49	0	0	0	0	111.3	L939 E941 Q994	L939-T996 PolarHBondContact N-O 3.1Å; E941-T996 HydrophobicContact CG-CG2 3.92Å; Q994-T996 PolarHBondContact O-N 2.95Å
997	S	93	Very high	89.6	Confident	19 Å²	19	29.2 Å²	29.2	13%	0.133	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141	-177.5	-61.4	0	0	0	0	109.9	M790 I937 Y990	M790-S997 WeakPolarHBondContact CE-O 3.46Å; I937-S997 CarbonylContact O-C 3.51Å; I937-S997 WeakPolarHBondContact O-CA 3.42Å; Y990-S997 WeakPolarHBondContact CD2-O 3.31Å
998	I	96.1	Very high	89.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.9	170.3	-59.1	164.8	0	0	0	107.3	I936 I937 L939 V971 Y974 L975 L978 F988 F989 Y990	I936-I998 WeakPolarHBondContact CA-O 3.34Å; I937-I998 HydrophobicContact CB-CB 4.15Å; I937-I998 HydrophobicContact CD1-CB 4.42Å; I937-I998 HydrophobicContact CD1-CG2 4.44Å; I937-I998 PolarHBondContact N-O 3.28Å; I937-I998 PolarHBondContact O-N 2.97Å; L939-I998 HydrophobicContact CD1-CD1 4.32Å; L939-I998 HydrophobicContact CD1-CG1 4.24Å; L939-I998 HydrophobicContact CD2-CD1 4.03Å; V971-I998 HydrophobicContact CG1-CD1 4.02Å; V971-I998 HydrophobicContact CG1-CG1 4.38Å; Y974-I998 HydrophobicContact CD1-CD1 3.74Å; Y974-I998 HydrophobicContact CE1-CD1 3.73Å; L975-I998 HydrophobicContact CD2-CD1 3.82Å; L975-I998 HydrophobicContact CD2-CG1 4.15Å; L975-I998 HydrophobicContact CD2-CG2 3.81Å; L975-I998 HydrophobicContact CG-CD1 4.09Å; L978-I998 HydrophobicContact CD1-CD1 4.25Å; F988-I998 HydrophobicContact CB-CG2 4.11Å; F988-I998 HydrophobicContact CD1-CG2 4.18Å; F989-I998 CarbonylContact O-C 3.55Å; F989-I998 WeakPolarHBondContact O-CA 3.4Å; F989-I998 WeakPolarHBondContact O-CG2 3.38Å; Y990-I998 HydrophobicContact CD2-CG1 3.78Å; Y990-I998 HydrophobicContact CE2-CG1 4.38Å; Y990-I998 HydrophobicContact CG-CG1 4.4Å
999	G	96	Very high	88.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.7	176.4	0	0	0	0	0	110.3	F988 F989	F988-G999 WeakPolarHBondContact CA-O 3.2Å; F989-G999 PolarHBondContact N-O 2.96Å; F989-G999 PolarHBondContact O-N 3.38Å
1000	V	95.8	Very high	87.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128	-178.4	-172.3	0	0	0	0	109.7	F933 N934 A935 I937 A986 L987 F988 W1002 F1031	F933-V1000 CarbonylContact C-O 3.14Å; N934-V1000 PolarHBondContact N-O 3.38Å; A935-V1000 HydrophobicContact CB-CB 4.14Å; A935-V1000 HydrophobicContact CB-CG2 4.42Å; A935-V1000 PolarHBondContact N-O 3.19Å; A935-V1000 WeakPolarHBondContact O-CB 3.49Å; A935-V1000 PolarHBondContact O-N 3.21Å; I937-V1000 HydrophobicContact CD1-CG2 3.9Å; I937-V1000 HydrophobicContact CG1-CG2 3.99Å; A986-V1000 HydrophobicContact CB-CG1 3.79Å; L987-V1000 WeakPolarHBondContact O-CA 3.17Å; F988-V1000 HydrophobicContact CD1-CG1 4.5Å; F988-V1000 HydrophobicContact CD1-CG2 4Å; F988-V1000 HydrophobicContact CE1-CG1 4.18Å; F988-V1000 HydrophobicContact CE1-CG2 4.05Å; V1000-W1002 HydrophobicContact CG1-CZ3 4.48Å; V1000-F1031 HydrophobicContact CG1-CE2 4.04Å; V1000-F1031 HydrophobicContact CG1-CZ 4.3Å; V1000-F1031 HydrophobicContact CG2-CE2 4.36Å
1001	I	93.8	Very high	86.5	Confident	40 Å²	40	43.9 Å²	43.9	21%	0.205	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.9	170.7	-58.3	-175.1	0	0	0	109.3	F933 N934 A986 L987 F989	F933-I1001 HydrophobicContact CD1-CD1 4.03Å; F933-I1001 HydrophobicContact CD1-CG1 3.69Å; F933-I1001 HydrophobicContact CE1-CD1 4.25Å; F933-I1001 HydrophobicContact CE1-CG1 4.29Å; N934-I1001 WeakPolarHBondContact OD1-CA 3.42Å; A986-I1001 CarbonylContact C-O 3.54Å; A986-I1001 VanDerWaalsContact CA-O 3.27Å; A986-I1001 WeakPolarHBondContact CA-O 3.28Å; L987-I1001 PolarHBondContact N-O 3.06Å; L987-I1001 PolarHBondContact O-N 3.12Å; F989-I1001 HydrophobicContact CD2-CD1 4.25Å; F989-I1001 HydrophobicContact CD2-CG1 4.15Å; F989-I1001 HydrophobicContact CE2-CB 4.02Å; F989-I1001 HydrophobicContact CE2-CD1 3.57Å; F989-I1001 HydrophobicContact CE2-CG1 3.66Å; F989-I1001 HydrophobicContact CZ-CD1 4.13Å
1002	W	91.6	Very high	85.6	Confident	21 Å²	21	51.3 Å²	51.3	8%	0.08	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.5	174.6	-61.6	128.4	0	0	0	111.1	N934 A986 V1000 F1006 I1007 A1024 I1027 I1028 F1031	N934-W1002 HydrophobicContact CB-CG 4.19Å; N934-W1002 PolarHBondContact OD1-N 2.68Å; A986-W1002 HydrophobicContact CB-CE3 3.78Å; A986-W1002 HydrophobicContact CB-CZ3 3.87Å; V1000-W1002 HydrophobicContact CG1-CZ3 4.48Å; W1002-F1006 HydrophobicContact CB-CD1 4.06Å; W1002-F1006 AromaticContact CD2-CD1 3.84Å; W1002-F1006 HydrophobicContact CD2-CD1 3.84Å; W1002-F1006 AromaticContact CD2-CE1 3.72Å; W1002-F1006 HydrophobicContact CD2-CE1 3.72Å; W1002-F1006 AromaticContact CE3-CD1 3.5Å; W1002-F1006 HydrophobicContact CE3-CD1 3.5Å; W1002-F1006 VanDerWaalsContact CE3-CD1 3.5Å; W1002-F1006 AromaticContact CE3-CE1 3.47Å; W1002-F1006 HydrophobicContact CE3-CE1 3.47Å; W1002-F1006 VanDerWaalsContact CE3-CE1 3.47Å; W1002-F1006 HydrophobicContact CG-CD1 4.07Å; W1002-F1006 HydrophobicContact CG-CE1 4.23Å; W1002-F1006 HydrophobicContact CH2-CE1 4.43Å; W1002-F1006 HydrophobicContact CZ3-CD1 4.23Å; W1002-F1006 AromaticContact CZ3-CE1 3.86Å; W1002-F1006 HydrophobicContact CZ3-CE1 3.86Å; W1002-I1007 HydrophobicContact CB-CD1 4.12Å; W1002-I1007 HydrophobicContact CB-CG1 3.91Å; W1002-A1024 HydrophobicContact CZ2-CB 4.11Å; W1002-I1027 HydrophobicContact CH2-CB 4.37Å; W1002-I1027 HydrophobicContact CH2-CG2 3.88Å; W1002-I1027 HydrophobicContact CZ3-CG2 3.97Å; W1002-I1028 HydrophobicContact CH2-CG1 4.27Å; W1002-I1028 HydrophobicContact CZ2-CD1 4.15Å; W1002-I1028 HydrophobicContact CZ2-CG1 4.19Å; W1002-F1031 AromaticContact CH2-CE2 3.79Å; W1002-F1031 HydrophobicContact CH2-CE2 3.79Å; W1002-F1031 AromaticContact CH2-CZ 3.74Å; W1002-F1031 HydrophobicContact CH2-CZ 3.74Å; W1002-F1031 HydrophobicContact CZ3-CE2 4.35Å; W1002-F1031 AromaticContact CZ3-CZ 3.88Å; W1002-F1031 HydrophobicContact CZ3-CZ 3.88Å
1003	K	91.7	Very high	84.6	Confident	55 Å²	55	54.5 Å²	54.5	24%	0.239	28%	0.279	C	S	.	.			trans	-68.1	146.6	174.8	-73.7	-177.6	168.7	-175.9	0	110.4	G983 Q984 L985 L987 S1005 F1006 I1007	G983-K1003 WeakPolarHBondContact O-CE 3.39Å; G983-K1003 PolarHBondContact O-NZ 3.12Å; Q984-K1003 WeakPolarHBondContact O-CD 3.42Å; L985-K1003 WeakPolarHBondContact O-CB 3.37Å; L985-K1003 PolarHBondContact O-N 3.45Å; L987-K1003 HydrophobicContact CG-CG 4.28Å; K1003-S1005 PolarHBondContact O-N 3.21Å; K1003-F1006 WeakPolarHBondContact O-CB 3.4Å; K1003-F1006 PolarHBondContact O-N 3.12Å; K1003-I1007 PolarHBondContact O-N 3.22Å; K1003-I1007 VanDerWaalsContact O-N 3.1Å
1004	P	87.9	Confident	83.6	Confident	107 Å²	107	56.7 Å²	56.7	70%	0.695	29%	0.292	S	S	*	.	H	α-helix	trans	-56.5	-34.3	178.2	-27.3	35.1	0	0	0	114.3	F1006 I1007 S1008	P1004-F1006 VanDerWaalsContact C-N 3.33Å; P1004-F1006 PolarHBondContact O-N 3.06Å; P1004-I1007 PolarHBondContact O-N 3.31Å; P1004-S1008 WeakPolarHBondContact O-CB 3.39Å; P1004-S1008 PolarHBondContact O-N 3.29Å
1005	S	87.8	Confident	82.7	Confident	76 Å²	76	57.9 Å²	57.9	53%	0.531	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-42.9	174.6	49.2	0	0	0	0	112.1	K1003 S1008 M1009	K1003-S1005 PolarHBondContact O-N 3.21Å; S1005-S1008 PolarHBondContact O-N 3.39Å; S1005-M1009 WeakPolarHBondContact O-CB 3.5Å; S1005-M1009 PolarHBondContact O-N 3.22Å
1006	F	86.6	Confident	81.1	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.039	34%	0.344	C	S	.	.	H	α-helix	trans	-68.9	-44	177.6	177.9	-119.8	0	0	0	111.5	L985 W1002 K1003 P1004 S1008 M1009 L1010 I1027	L985-F1006 HydrophobicContact CB-CB 4.4Å; L985-F1006 HydrophobicContact CB-CD2 4.29Å; L985-F1006 HydrophobicContact CB-CG 4.15Å; L985-F1006 HydrophobicContact CD2-CB 4.43Å; L985-F1006 HydrophobicContact CD2-CD2 3.8Å; L985-F1006 HydrophobicContact CD2-CG 4.32Å; L985-F1006 HydrophobicContact CG-CD2 4.45Å; W1002-F1006 HydrophobicContact CB-CD1 4.06Å; W1002-F1006 AromaticContact CD2-CD1 3.84Å; W1002-F1006 HydrophobicContact CD2-CD1 3.84Å; W1002-F1006 AromaticContact CD2-CE1 3.72Å; W1002-F1006 HydrophobicContact CD2-CE1 3.72Å; W1002-F1006 AromaticContact CE3-CD1 3.5Å; W1002-F1006 HydrophobicContact CE3-CD1 3.5Å; W1002-F1006 VanDerWaalsContact CE3-CD1 3.5Å; W1002-F1006 AromaticContact CE3-CE1 3.47Å; W1002-F1006 HydrophobicContact CE3-CE1 3.47Å; W1002-F1006 VanDerWaalsContact CE3-CE1 3.47Å; W1002-F1006 HydrophobicContact CG-CD1 4.07Å; W1002-F1006 HydrophobicContact CG-CE1 4.23Å; W1002-F1006 HydrophobicContact CH2-CE1 4.43Å; W1002-F1006 HydrophobicContact CZ3-CD1 4.23Å; W1002-F1006 AromaticContact CZ3-CE1 3.86Å; W1002-F1006 HydrophobicContact CZ3-CE1 3.86Å; K1003-F1006 WeakPolarHBondContact O-CB 3.4Å; K1003-F1006 PolarHBondContact O-N 3.12Å; P1004-F1006 VanDerWaalsContact C-N 3.33Å; P1004-F1006 PolarHBondContact O-N 3.06Å; F1006-S1008 VanDerWaalsContact C-N 3.27Å; F1006-S1008 PolarHBondContact O-N 3.04Å; F1006-M1009 WeakPolarHBondContact O-CB 3.49Å; F1006-M1009 PolarHBondContact O-N 2.88Å; F1006-M1009 VanDerWaalsContact O-N 3.17Å; F1006-L1010 HydrophobicContact CD1-CD1 4.21Å; F1006-L1010 HydrophobicContact CD2-CG 4.32Å; F1006-L1010 HydrophobicContact CE1-CD1 3.57Å; F1006-L1010 HydrophobicContact CE1-CG 4.16Å; F1006-L1010 HydrophobicContact CE2-CD1 4.15Å; F1006-L1010 HydrophobicContact CE2-CD2 3.82Å; F1006-L1010 HydrophobicContact CE2-CG 3.82Å; F1006-L1010 HydrophobicContact CZ-CD1 3.51Å; F1006-L1010 HydrophobicContact CZ-CD2 3.77Å; F1006-L1010 HydrophobicContact CZ-CG 3.7Å; F1006-L1010 WeakPolarHBondContact O-CG 3.24Å; F1006-L1010 PolarHBondContact O-N 2.79Å; F1006-I1027 HydrophobicContact CD2-CD1 4.45Å; F1006-I1027 HydrophobicContact CE1-CD1 3.99Å; F1006-I1027 HydrophobicContact CE2-CD1 3.39Å; F1006-I1027 HydrophobicContact CZ-CD1 3.12Å
1007	I	83.8	Confident	79.2	Confident	48 Å²	48	70.3 Å²	70.3	25%	0.246	38%	0.378	C	S	.	.	H	α-helix	trans	-59	-40.9	174.5	-60.9	171.7	0	0	0	111	W1002 K1003 P1004 L1010 R1011	W1002-I1007 HydrophobicContact CB-CD1 4.12Å; W1002-I1007 HydrophobicContact CB-CG1 3.91Å; K1003-I1007 PolarHBondContact O-N 3.22Å; K1003-I1007 VanDerWaalsContact O-N 3.1Å; P1004-I1007 PolarHBondContact O-N 3.31Å; I1007-L1010 PolarHBondContact O-N 2.84Å; I1007-R1011 WeakPolarHBondContact O-CG 3.39Å; I1007-R1011 PolarHBondContact O-N 3.23Å
1008	S	84	Confident	77	Confident	54 Å²	54	75.5 Å²	75.5	38%	0.378	40%	0.399	S	S	.	.	H	α-helix	trans	-64.5	-43.9	175.9	-176.5	0	0	0	0	112.1	P1004 S1005 F1006 L1010 R1011 K1012	P1004-S1008 WeakPolarHBondContact O-CB 3.39Å; P1004-S1008 PolarHBondContact O-N 3.29Å; S1005-S1008 PolarHBondContact O-N 3.39Å; F1006-S1008 VanDerWaalsContact C-N 3.27Å; F1006-S1008 PolarHBondContact O-N 3.04Å; S1008-L1010 PolarHBondContact O-N 3.32Å; S1008-R1011 PolarHBondContact O-N 2.85Å; S1008-K1012 WeakPolarHBondContact O-CG 3.22Å; S1008-K1012 PolarHBondContact O-N 2.7Å
1009	M	82	Confident	74.8	Confident	102 Å²	102	80 Å²	80	50%	0.502	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-45.5	174.8	-178.4	-177	179.9	0	0	111.6	S1005 F1006 R1011 K1012 N1013	S1005-M1009 WeakPolarHBondContact O-CB 3.5Å; S1005-M1009 PolarHBondContact O-N 3.22Å; F1006-M1009 WeakPolarHBondContact O-CB 3.49Å; F1006-M1009 PolarHBondContact O-N 2.88Å; F1006-M1009 VanDerWaalsContact O-N 3.17Å; M1009-R1011 PolarHBondContact O-N 3.49Å; M1009-K1012 PolarHBondContact O-N 2.78Å; M1009-N1013 PolarHBondContact O-N 3.48Å; M1009-N1013 VanDerWaalsContact O-N 3.14Å
1010	L	74.5	Confident	72.9	Confident	9 Å²	9	83.2 Å²	83.2	5%	0.047	44%	0.443	C	S	.	.	H	α-helix	trans	-60.7	-43.5	176.1	-70.4	-177	0	0	0	112.3	F1006 I1007 S1008 K1012 N1013 N1014 L1020 A1023	F1006-L1010 HydrophobicContact CD1-CD1 4.21Å; F1006-L1010 HydrophobicContact CD2-CG 4.32Å; F1006-L1010 HydrophobicContact CE1-CD1 3.57Å; F1006-L1010 HydrophobicContact CE1-CG 4.16Å; F1006-L1010 HydrophobicContact CE2-CD1 4.15Å; F1006-L1010 HydrophobicContact CE2-CD2 3.82Å; F1006-L1010 HydrophobicContact CE2-CG 3.82Å; F1006-L1010 HydrophobicContact CZ-CD1 3.51Å; F1006-L1010 HydrophobicContact CZ-CD2 3.77Å; F1006-L1010 HydrophobicContact CZ-CG 3.7Å; F1006-L1010 WeakPolarHBondContact O-CG 3.24Å; F1006-L1010 PolarHBondContact O-N 2.79Å; I1007-L1010 PolarHBondContact O-N 2.84Å; S1008-L1010 PolarHBondContact O-N 3.32Å; L1010-K1012 PolarHBondContact O-N 3.09Å; L1010-N1013 PolarHBondContact O-N 2.78Å; L1010-N1014 WeakPolarHBondContact O-CB 3.18Å; L1010-N1014 PolarHBondContact O-N 3.33Å; L1010-L1020 HydrophobicContact CB-CD1 4.31Å; L1010-L1020 HydrophobicContact CB-CG 4.27Å; L1010-L1020 HydrophobicContact CD1-CD2 4.16Å; L1010-L1020 HydrophobicContact CD1-CG 4.01Å; L1010-A1023 HydrophobicContact CD2-CB 3.41Å; L1010-A1023 VanDerWaalsContact CD2-CB 3.41Å
1011	R	74.8	Confident	71.5	Confident	180 Å²	180	86 Å²	86	68%	0.679	46%	0.462	S	S	*	.	H	α-helix	trans	-65.6	-36.4	178.1	-73.9	177	-179.9	-179.7	-1.2	113	I1007 S1008 M1009 L1020	I1007-R1011 WeakPolarHBondContact O-CG 3.39Å; I1007-R1011 PolarHBondContact O-N 3.23Å; S1008-R1011 PolarHBondContact O-N 2.85Å; M1009-R1011 PolarHBondContact O-N 3.49Å; R1011-L1020 HydrophobicContact CG-CD1 4.22Å
1012	K	72.4	Confident	70.4	Confident	169 Å²	169	88.7 Å²	88.7	74%	0.735	47%	0.474	S	S	*	.	H	α-helix	trans	-71.7	-32.5	179.1	-74.1	180	-179.6	-174.1	0	113	S1008 M1009 L1010	S1008-K1012 WeakPolarHBondContact O-CG 3.22Å; S1008-K1012 PolarHBondContact O-N 2.7Å; M1009-K1012 PolarHBondContact O-N 2.78Å; L1010-K1012 PolarHBondContact O-N 3.09Å
1013	N	63.6	Low	69.4	Low	117 Å²	117	89.8 Å²	89.8	63%	0.626	49%	0.488	S	S	*	.	H	α-helix	trans	-79.6	-17.8	178.1	-71.4	-7.1	0	0	0	113	M1009 L1010 A1015	M1009-N1013 PolarHBondContact O-N 3.48Å; M1009-N1013 VanDerWaalsContact O-N 3.14Å; L1010-N1013 PolarHBondContact O-N 2.78Å; N1013-A1015 PolarHBondContact O-N 2.81Å
1014	N	56.9	Low	68.9	Low	66 Å²	66	87.6 Å²	87.6	35%	0.353	48%	0.479	S	S	.	.			trans	-96.3	86.6	-176.6	-75.2	3.6	0	0	0	112.4	L1010 K1018	L1010-N1014 WeakPolarHBondContact O-CB 3.18Å; L1010-N1014 PolarHBondContact O-N 3.33Å; N1014-K1018 PolarHBondContact ND2-O 3.05Å; N1014-K1018 VanDerWaalsContact ND2-O 3.12Å
1015	A	54.3	Low	68.7	Low	101 Å²	101	85.1 Å²	85.1	84%	0.835	46%	0.461	S	S	*	.	S	Bend	trans	-84.3	-22.5	160.5	0	0	0	0	0	112.4	N1013	N1013-A1015 PolarHBondContact O-N 2.81Å
1016	D	49.2	Very low	68.6	Low	130 Å²	130	86.9 Å²	86.9	70%	0.695	46%	0.46	S	S	*	.	S	Bend	trans	-103.5	138	177.4	-69.4	-39.1	0	0	0	110.2	K1018	D1016-K1018 PolarHBondContact O-N 3.43Å
1017	N	46.9	Very low	68.7	Low	173 Å²	173	87.7 Å²	87.7	93%	0.925	47%	0.465	S	S	*	.			trans	-59.1	19.5	-177.6	-88.7	-24.8	0	0	0	116.2	T1019	N1017-T1019 PolarHBondContact O-N 3.12Å
1018	K	47.2	Very low	69.1	Low	129 Å²	129	86.2 Å²	86.2	56%	0.561	46%	0.457	S	S	*	.			trans	-68.3	105.6	166	-73.7	-175.6	167.5	-160.7	0	108.4	N1014 D1016 E1022	N1014-K1018 PolarHBondContact ND2-O 3.05Å; N1014-K1018 VanDerWaalsContact ND2-O 3.12Å; D1016-K1018 PolarHBondContact O-N 3.43Å; K1018-E1022 WeakPolarHBondContact CD-OE2 3.48Å; K1018-E1022 IonicContact NZ-OE2 2.73Å
1019	T	51.1	Low	69.4	Low	93 Å²	93	88.6 Å²	88.6	57%	0.571	46%	0.461	S	S	*	.			trans	-45.5	140.7	-174.4	46.6	0	0	0	0	111.6	N1017 S1021 E1022	N1017-T1019 PolarHBondContact O-N 3.12Å; T1019-S1021 WeakPolarHBondContact O-CA 3.31Å; T1019-S1021 PolarHBondContact O-N 2.81Å; T1019-S1021 WeakPolarHBondContact OG1-CB 3.39Å; T1019-E1022 PolarHBondContact O-N 3.41Å
1020	L	55.7	Low	70	Confident	69 Å²	69	84.2 Å²	84.2	36%	0.361	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.9	-25.2	168.1	-134.7	98.8	0	0	0	114.5	L1010 R1011	L1010-L1020 HydrophobicContact CB-CD1 4.31Å; L1010-L1020 HydrophobicContact CB-CG 4.27Å; L1010-L1020 HydrophobicContact CD1-CD2 4.16Å; L1010-L1020 HydrophobicContact CD1-CG 4.01Å; R1011-L1020 HydrophobicContact CG-CD1 4.22Å
1021	S	66.5	Low	71	Confident	58 Å²	58	83.8 Å²	83.8	41%	0.406	44%	0.439	S	S	.	.	H	α-helix	trans	-47.6	-50.4	169.7	179.3	0	0	0	0	115.9	T1019 A1024 N1025	T1019-S1021 WeakPolarHBondContact O-CA 3.31Å; T1019-S1021 PolarHBondContact O-N 2.81Å; T1019-S1021 WeakPolarHBondContact OG1-CB 3.39Å; S1021-A1024 PolarHBondContact O-N 2.9Å; S1021-N1025 WeakPolarHBondContact O-CB 3.33Å; S1021-N1025 PolarHBondContact O-N 2.94Å; S1021-N1025 PolarHBondContact O-ND2 2.93Å; S1021-N1025 PolarHBondContact O-OD1 2.75Å; S1021-N1025 PolarHBondContact OG-ND2 3.47Å
1022	E	70.3	Confident	71.8	Confident	97 Å²	97	80.5 Å²	80.5	45%	0.453	43%	0.428	S	S	.	.	H	α-helix	trans	-64.9	-50.4	-167.9	-73.7	-175.7	-172.3	0	0	113.1	K1018 T1019 A1024 N1025 E1026	K1018-E1022 WeakPolarHBondContact CD-OE2 3.48Å; K1018-E1022 IonicContact NZ-OE2 2.73Å; T1019-E1022 PolarHBondContact O-N 3.41Å; E1022-A1024 VanDerWaalsContact C-N 3.33Å; E1022-A1024 PolarHBondContact O-N 3.41Å; E1022-N1025 WeakPolarHBondContact O-CB 3.42Å; E1022-N1025 PolarHBondContact O-N 2.82Å; E1022-N1025 VanDerWaalsContact O-N 3.12Å; E1022-E1026 PolarHBondContact O-N 3.41Å; E1022-E1026 VanDerWaalsContact O-N 3.15Å
1023	A	70.8	Confident	72.8	Confident	44 Å²	44	79.1 Å²	79.1	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-67.4	-34.2	178.8	0	0	0	0	0	112.4	L1010 N1025 I1027	L1010-A1023 HydrophobicContact CD2-CB 3.41Å; L1010-A1023 VanDerWaalsContact CD2-CB 3.41Å; A1023-N1025 VanDerWaalsContact C-N 3.32Å; A1023-I1027 PolarHBondContact O-N 2.92Å
1024	A	80.4	Confident	74.3	Confident	8 Å²	8	77 Å²	77	7%	0.066	41%	0.412	C	S	.	.	H	α-helix	trans	-64	-38.9	171.1	0	0	0	0	0	111.3	W1002 S1021 E1022 E1026 I1027 I1028	W1002-A1024 HydrophobicContact CZ2-CB 4.11Å; S1021-A1024 PolarHBondContact O-N 2.9Å; E1022-A1024 VanDerWaalsContact C-N 3.33Å; E1022-A1024 PolarHBondContact O-N 3.41Å; A1024-E1026 PolarHBondContact O-N 3.36Å; A1024-I1027 PolarHBondContact O-N 3.33Å; A1024-I1028 WeakPolarHBondContact O-CB 3.35Å; A1024-I1028 WeakPolarHBondContact O-CD1 3.37Å; A1024-I1028 WeakPolarHBondContact O-CG1 3.37Å; A1024-I1028 PolarHBondContact O-N 2.96Å
1025	N	84.1	Confident	76	Confident	56 Å²	56	74 Å²	74	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-37.5	179	-70.2	-28.8	0	0	0	112.6	S1021 E1022 A1023 I1028 K1029	S1021-N1025 WeakPolarHBondContact O-CB 3.33Å; S1021-N1025 PolarHBondContact O-N 2.94Å; S1021-N1025 PolarHBondContact O-ND2 2.93Å; S1021-N1025 PolarHBondContact O-OD1 2.75Å; S1021-N1025 PolarHBondContact OG-ND2 3.47Å; E1022-N1025 WeakPolarHBondContact O-CB 3.42Å; E1022-N1025 PolarHBondContact O-N 2.82Å; E1022-N1025 VanDerWaalsContact O-N 3.12Å; A1023-N1025 VanDerWaalsContact C-N 3.32Å; N1025-I1028 PolarHBondContact O-N 3.07Å; N1025-K1029 WeakPolarHBondContact O-CG 3.29Å; N1025-K1029 PolarHBondContact O-N 3.26Å
1026	E	85.3	Confident	77.7	Confident	112 Å²	112	72 Å²	72	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-41.6	174.9	-69.8	-52.9	132	0	0	112.3	E1022 A1024 I1028 K1029 G1030	E1022-E1026 PolarHBondContact O-N 3.41Å; E1022-E1026 VanDerWaalsContact O-N 3.15Å; A1024-E1026 PolarHBondContact O-N 3.36Å; E1026-I1028 VanDerWaalsContact C-N 3.3Å; E1026-I1028 PolarHBondContact O-N 2.96Å; E1026-K1029 WeakPolarHBondContact O-CB 3.22Å; E1026-K1029 PolarHBondContact O-N 3.48Å; E1026-K1029 IonicContact OE1-NZ 2.74Å; E1026-K1029 PolarHBondContact OE1-NZ 3.48Å; E1026-K1029 IonicContact OE2-NZ 3.67Å; E1026-K1029 PolarHBondContact OE2-NZ 2.84Å; E1026-G1030 PolarHBondContact O-N 3.4Å
1027	I	89.8	Confident	79.5	Confident	26 Å²	26	72.3 Å²	72.3	13%	0.133	38%	0.378	C	S	.	.	H	α-helix	trans	-64.9	-39	174.7	-67.7	160.9	0	0	0	110.7	Y982 L985 W1002 F1006 A1023 A1024 K1029 G1030 F1031	Y982-I1027 HydrophobicContact CD1-CG2 4.06Å; Y982-I1027 HydrophobicContact CE1-CG2 4.26Å; L985-I1027 HydrophobicContact CD1-CD1 3.8Å; L985-I1027 HydrophobicContact CD1-CG1 4.28Å; W1002-I1027 HydrophobicContact CH2-CB 4.37Å; W1002-I1027 HydrophobicContact CH2-CG2 3.88Å; W1002-I1027 HydrophobicContact CZ3-CG2 3.97Å; F1006-I1027 HydrophobicContact CD2-CD1 4.45Å; F1006-I1027 HydrophobicContact CE1-CD1 3.99Å; F1006-I1027 HydrophobicContact CE2-CD1 3.39Å; F1006-I1027 HydrophobicContact CZ-CD1 3.12Å; A1023-I1027 PolarHBondContact O-N 2.92Å; A1024-I1027 PolarHBondContact O-N 3.33Å; I1027-K1029 VanDerWaalsContact C-N 3.34Å; I1027-K1029 PolarHBondContact O-N 3.36Å; I1027-G1030 VanDerWaalsContact O-CA 3.32Å; I1027-G1030 WeakPolarHBondContact O-CA 3.17Å; I1027-G1030 PolarHBondContact O-N 3.29Å; I1027-F1031 HydrophobicContact CG2-CD1 4.38Å; I1027-F1031 HydrophobicContact CG2-CE1 3.55Å; I1027-F1031 HydrophobicContact CG2-CE2 4.34Å; I1027-F1031 HydrophobicContact CG2-CZ 3.53Å; I1027-F1031 WeakPolarHBondContact O-CD1 3.24Å; I1027-F1031 PolarHBondContact O-N 3.32Å
1028	I	91.1	Very high	81.6	Confident	17 Å²	17	65 Å²	65	9%	0.087	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-37.2	176.8	-72.3	160.7	0	0	0	111.9	W1002 A1024 N1025 E1026 G1030 F1031 Y1032 I1042 V1044	W1002-I1028 HydrophobicContact CH2-CG1 4.27Å; W1002-I1028 HydrophobicContact CZ2-CD1 4.15Å; W1002-I1028 HydrophobicContact CZ2-CG1 4.19Å; A1024-I1028 WeakPolarHBondContact O-CB 3.35Å; A1024-I1028 WeakPolarHBondContact O-CD1 3.37Å; A1024-I1028 WeakPolarHBondContact O-CG1 3.37Å; A1024-I1028 PolarHBondContact O-N 2.96Å; N1025-I1028 PolarHBondContact O-N 3.07Å; E1026-I1028 VanDerWaalsContact C-N 3.3Å; E1026-I1028 PolarHBondContact O-N 2.96Å; I1028-G1030 PolarHBondContact O-N 2.95Å; I1028-F1031 HydrophobicContact CB-CD2 4.42Å; I1028-F1031 HydrophobicContact CG1-CD2 4.1Å; I1028-F1031 HydrophobicContact CG1-CE2 4.04Å; I1028-F1031 WeakPolarHBondContact O-CB 3.49Å; I1028-F1031 PolarHBondContact O-N 2.95Å; I1028-F1031 VanDerWaalsContact O-N 3.14Å; I1028-Y1032 PolarHBondContact O-N 2.85Å; I1028-Y1032 VanDerWaalsContact O-N 3.16Å; I1028-I1042 HydrophobicContact CG2-CB 4.04Å; I1028-I1042 HydrophobicContact CG2-CD1 3.83Å; I1028-I1042 HydrophobicContact CG2-CG2 3.77Å; I1028-V1044 HydrophobicContact CD1-CG1 4.31Å; I1028-V1044 HydrophobicContact CD1-CG2 3.53Å
1029	K	91.6	Very high	83.9	Confident	104 Å²	104	59 Å²	59	45%	0.452	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-41.2	170.1	-70.3	173.7	-176.1	171	0	110.9	N1025 E1026 I1027 F1031 Y1032 H1033	N1025-K1029 WeakPolarHBondContact O-CG 3.29Å; N1025-K1029 PolarHBondContact O-N 3.26Å; E1026-K1029 WeakPolarHBondContact O-CB 3.22Å; E1026-K1029 PolarHBondContact O-N 3.48Å; E1026-K1029 IonicContact OE1-NZ 2.74Å; E1026-K1029 PolarHBondContact OE1-NZ 3.48Å; E1026-K1029 IonicContact OE2-NZ 3.67Å; E1026-K1029 PolarHBondContact OE2-NZ 2.84Å; I1027-K1029 VanDerWaalsContact C-N 3.34Å; I1027-K1029 PolarHBondContact O-N 3.36Å; K1029-F1031 VanDerWaalsContact C-N 3.33Å; K1029-F1031 PolarHBondContact O-N 2.89Å; K1029-Y1032 WeakPolarHBondContact O-CB 3.34Å; K1029-Y1032 PolarHBondContact O-N 3.37Å; K1029-Y1032 VanDerWaalsContact O-N 3.12Å; K1029-H1033 PolarHBondContact O-CD2 3.48Å; K1029-H1033 PolarHBondContact O-N 3.48Å
1030	G	93.3	Very high	85.9	Confident	10 Å²	10	60.5 Å²	60.5	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-56.2	-42.8	172.8	0	0	0	0	0	113.7	Y982 E1026 I1027 I1028 Y1032 H1033 L1034	Y982-G1030 WeakPolarHBondContact OH-CA 3.43Å; E1026-G1030 PolarHBondContact O-N 3.4Å; I1027-G1030 VanDerWaalsContact O-CA 3.32Å; I1027-G1030 WeakPolarHBondContact O-CA 3.17Å; I1027-G1030 PolarHBondContact O-N 3.29Å; I1028-G1030 PolarHBondContact O-N 2.95Å; G1030-Y1032 VanDerWaalsContact C-N 3.32Å; G1030-Y1032 PolarHBondContact O-N 2.95Å; G1030-H1033 PolarHBondContact O-N 3.33Å; G1030-L1034 PolarHBondContact O-N 3.42Å
1031	F	95.2	Very high	87.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-43.6	173.9	-56.4	-19.8	0	0	0	111.7	I937 Y974 L978 Y982 F988 V1000 W1002 I1027 I1028 K1029 G1035 I1042	I937-F1031 HydrophobicContact CD1-CB 4.19Å; I937-F1031 HydrophobicContact CD1-CD2 4.12Å; I937-F1031 HydrophobicContact CD1-CG 4.31Å; Y974-F1031 PolarHBondContact OH-O 3.5Å; L978-F1031 HydrophobicContact CD2-CB 4.19Å; L978-F1031 HydrophobicContact CD2-CD1 3.67Å; L978-F1031 HydrophobicContact CD2-CE1 4.38Å; L978-F1031 HydrophobicContact CD2-CG 4.13Å; Y982-F1031 HydrophobicContact CD1-CE1 4.14Å; Y982-F1031 AromaticContact CD2-CD1 3.55Å; Y982-F1031 HydrophobicContact CD2-CD1 3.55Å; Y982-F1031 AromaticContact CD2-CE1 3.54Å; Y982-F1031 HydrophobicContact CD2-CE1 3.54Å; Y982-F1031 AromaticContact CE2-CD1 3.72Å; Y982-F1031 HydrophobicContact CE2-CD1 3.72Å; Y982-F1031 HydrophobicContact CE2-CE1 4.07Å; Y982-F1031 HydrophobicContact CG-CD1 4.09Å; Y982-F1031 AromaticContact CG-CE1 3.58Å; Y982-F1031 HydrophobicContact CG-CE1 3.58Å; F988-F1031 HydrophobicContact CE1-CD1 4.48Å; F988-F1031 HydrophobicContact CE1-CE1 4.05Å; F988-F1031 HydrophobicContact CE1-CE2 4.36Å; F988-F1031 AromaticContact CE1-CZ 3.97Å; F988-F1031 HydrophobicContact CE1-CZ 3.97Å; F988-F1031 HydrophobicContact CZ-CD1 4.46Å; F988-F1031 AromaticContact CZ-CE1 3.78Å; F988-F1031 HydrophobicContact CZ-CE1 3.78Å; F988-F1031 AromaticContact CZ-CZ 3.94Å; F988-F1031 HydrophobicContact CZ-CZ 3.94Å; V1000-F1031 HydrophobicContact CG1-CE2 4.04Å; V1000-F1031 HydrophobicContact CG1-CZ 4.3Å; V1000-F1031 HydrophobicContact CG2-CE2 4.36Å; W1002-F1031 AromaticContact CH2-CE2 3.79Å; W1002-F1031 HydrophobicContact CH2-CE2 3.79Å; W1002-F1031 AromaticContact CH2-CZ 3.74Å; W1002-F1031 HydrophobicContact CH2-CZ 3.74Å; W1002-F1031 HydrophobicContact CZ3-CE2 4.35Å; W1002-F1031 AromaticContact CZ3-CZ 3.88Å; W1002-F1031 HydrophobicContact CZ3-CZ 3.88Å; I1027-F1031 HydrophobicContact CG2-CD1 4.38Å; I1027-F1031 HydrophobicContact CG2-CE1 3.55Å; I1027-F1031 HydrophobicContact CG2-CE2 4.34Å; I1027-F1031 HydrophobicContact CG2-CZ 3.53Å; I1027-F1031 WeakPolarHBondContact O-CD1 3.24Å; I1027-F1031 PolarHBondContact O-N 3.32Å; I1028-F1031 HydrophobicContact CB-CD2 4.42Å; I1028-F1031 HydrophobicContact CG1-CD2 4.1Å; I1028-F1031 HydrophobicContact CG1-CE2 4.04Å; I1028-F1031 WeakPolarHBondContact O-CB 3.49Å; I1028-F1031 PolarHBondContact O-N 2.95Å; I1028-F1031 VanDerWaalsContact O-N 3.14Å; K1029-F1031 VanDerWaalsContact C-N 3.33Å; K1029-F1031 PolarHBondContact O-N 2.89Å; F1031-G1035 PolarHBondContact O-N 3.33Å; F1031-G1035 VanDerWaalsContact O-N 3.09Å; F1031-I1042 HydrophobicContact CB-CD1 3.73Å; F1031-I1042 HydrophobicContact CD2-CD1 4.47Å
1032	Y	93.1	Very high	89	Confident	112 Å²	112	61.2 Å²	61.2	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-42.3	178.3	-171.5	-91.2	0	0	0	111.9	I1028 K1029 G1030 G1035 A1036 V1039	I1028-Y1032 PolarHBondContact O-N 2.85Å; I1028-Y1032 VanDerWaalsContact O-N 3.16Å; K1029-Y1032 WeakPolarHBondContact O-CB 3.34Å; K1029-Y1032 PolarHBondContact O-N 3.37Å; K1029-Y1032 VanDerWaalsContact O-N 3.12Å; G1030-Y1032 VanDerWaalsContact C-N 3.32Å; G1030-Y1032 PolarHBondContact O-N 2.95Å; Y1032-G1035 CarbonylContact O-C 3.59Å; Y1032-G1035 PolarHBondContact O-N 2.9Å; Y1032-A1036 PolarHBondContact O-N 2.96Å; Y1032-V1039 HydrophobicContact CD2-CB 4.35Å; Y1032-V1039 HydrophobicContact CD2-CG1 3.81Å; Y1032-V1039 HydrophobicContact CE2-CG1 4.3Å
1033	H	93.4	Very high	90	Very high	140 Å²	140	59.6 Å²	59.6	65%	0.648	30%	0.301	S	S	*	.	H	α-helix	trans	-64.4	-45.5	178.2	-72.4	-55.5	0	0	0	112.9	K1029 G1030 G1035 A1036	K1029-H1033 PolarHBondContact O-CD2 3.48Å; K1029-H1033 PolarHBondContact O-N 3.48Å; G1030-H1033 PolarHBondContact O-N 3.33Å; H1033-G1035 PolarHBondContact O-N 3.02Å; H1033-A1036 PolarHBondContact O-N 3.44Å
1034	L	94	Very high	90.8	Very high	71 Å²	71	60.5 Å²	60.5	37%	0.372	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-34.1	175.4	-76.5	-176.8	0	0	0	112.4	Y974 L978 T981 Y982 G1030	Y974-L1034 HydrophobicContact CD2-CB 4.5Å; Y974-L1034 HydrophobicContact CE2-CB 3.87Å; L978-L1034 HydrophobicContact CD2-CD1 4.3Å; T981-L1034 HydrophobicContact CG2-CD1 4.15Å; Y982-L1034 HydrophobicContact CD2-CD1 3.93Å; Y982-L1034 HydrophobicContact CE2-CD1 3.43Å; Y982-L1034 VanDerWaalsContact CE2-CD1 3.43Å; Y982-L1034 HydrophobicContact CE2-CG 4.26Å; G1030-L1034 PolarHBondContact O-N 3.42Å
1035	G	92.9	Very high	90.9	Very high	3 Å²	3	62.8 Å²	62.8	3%	0.031	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	21.6	-176.9	0	0	0	0	0	113.8	Y974 F1031 Y1032 H1033 E1037 L1038 V1039	Y974-G1035 VanDerWaalsContact CE2-N 3.27Å; F1031-G1035 PolarHBondContact O-N 3.33Å; F1031-G1035 VanDerWaalsContact O-N 3.09Å; Y1032-G1035 CarbonylContact O-C 3.59Å; Y1032-G1035 PolarHBondContact O-N 2.9Å; H1033-G1035 PolarHBondContact O-N 3.02Å; G1035-E1037 PolarHBondContact O-N 3.3Å; G1035-L1038 CarbonylContact O-C 3.58Å; G1035-L1038 PolarHBondContact O-N 3.4Å; G1035-V1039 WeakPolarHBondContact O-CB 3.36Å; G1035-V1039 WeakPolarHBondContact O-CG2 3.49Å; G1035-V1039 PolarHBondContact O-N 3.49Å
1036	A	90.4	Very high	90.1	Very high	61 Å²	61	68.5 Å²	68.5	50%	0.504	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	139.4	-176.6	0	0	0	0	0	111.2	Y1032 H1033 L1038	Y1032-A1036 PolarHBondContact O-N 2.96Å; H1033-A1036 PolarHBondContact O-N 3.44Å; A1036-L1038 PolarHBondContact O-N 3.04Å
1037	E	86.9	Confident	88.4	Confident	135 Å²	135	68.5 Å²	68.5	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-26.9	-173	-48.2	-172.8	170.4	0	0	116.9	G1035	G1035-E1037 PolarHBondContact O-N 3.3Å
1038	L	91.2	Very high	86	Confident	19 Å²	19	70.2 Å²	70.2	10%	0.099	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-38.1	173.6	178	62.1	0	0	0	111.6	L939 A940 K943 Y974 G1035 A1036	L939-L1038 CarbonylContact C-O 3.19Å; L939-L1038 WeakPolarHBondContact CA-O 3.37Å; L939-L1038 HydrophobicContact CD2-CG 4.18Å; A940-L1038 PolarHBondContact N-O 3.44Å; K943-L1038 HydrophobicContact CB-CD1 3.67Å; Y974-L1038 HydrophobicContact CD1-CD2 3.84Å; Y974-L1038 HydrophobicContact CG-CD2 3.88Å; G1035-L1038 CarbonylContact O-C 3.58Å; G1035-L1038 PolarHBondContact O-N 3.4Å; A1036-L1038 PolarHBondContact O-N 3.04Å
1039	V	94.4	Very high	83.6	Confident	5 Å²	5	77.9 Å²	77.9	3%	0.03	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.2	179.9	176.3	0	0	0	0	109.4	I937 L939 Y974 Y1032 G1035 I1042	I937-V1039 HydrophobicContact CG2-CB 4.32Å; I937-V1039 HydrophobicContact CG2-CG1 3.76Å; I937-V1039 HydrophobicContact CG2-CG2 3.62Å; L939-V1039 HydrophobicContact CD2-CG2 4.35Å; Y974-V1039 HydrophobicContact CE1-CG2 3.78Å; Y974-V1039 WeakPolarHBondContact OH-CG2 3.47Å; Y1032-V1039 HydrophobicContact CD2-CB 4.35Å; Y1032-V1039 HydrophobicContact CD2-CG1 3.81Å; Y1032-V1039 HydrophobicContact CE2-CG1 4.3Å; G1035-V1039 WeakPolarHBondContact O-CB 3.36Å; G1035-V1039 WeakPolarHBondContact O-CG2 3.49Å; G1035-V1039 PolarHBondContact O-N 3.49Å; V1039-I1042 HydrophobicContact CG1-CD1 4.3Å; V1039-I1042 HydrophobicContact CG1-CG1 3.87Å
1040	Q	93.3	Very high	80.8	Confident	123 Å²	123	78.1 Å²	78.1	58%	0.575	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	-47.3	176.7	-175.3	179.5	17	0	0	111.5	Q938 A940	Q938-Q1040 PolarHBondContact O-N 3.18Å; A940-Q1040 HydrophobicContact CB-CB 4.41Å
1041	K	93.6	Very high	78	Confident	109 Å²	109	86.5 Å²	86.5	47%	0.474	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	162.6	175.4	62.7	179.5	-179.6	-179.9	0	110.8	Q938	Q938-K1041 WeakPolarHBondContact CA-O 3.46Å; Q938-K1041 HydrophobicContact CB-CG 4.06Å; Q938-K1041 WeakPolarHBondContact CB-O 3.26Å; Q938-K1041 HydrophobicContact CG-CG 4.44Å; Q938-K1041 PolarHBondContact N-O 3.45Å; Q938-K1041 PolarHBondContact O-N 2.97Å
1042	I	93.6	Very high	75.2	Confident	33 Å²	33	91 Å²	91	17%	0.169	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.5	173.8	-55	177.1	0	0	0	108.4	A935 I936 I937 I1028 F1031 V1039	A935-I1042 HydrophobicContact CB-CG2 4.29Å; I936-I1042 WeakPolarHBondContact O-CA 3.31Å; I937-I1042 HydrophobicContact CB-CG1 4.41Å; I937-I1042 HydrophobicContact CG1-CD1 4.25Å; I937-I1042 HydrophobicContact CG1-CG1 4.19Å; I937-I1042 HydrophobicContact CG1-CG2 4.31Å; I937-I1042 HydrophobicContact CG2-CG1 4.21Å; I1028-I1042 HydrophobicContact CG2-CB 4.04Å; I1028-I1042 HydrophobicContact CG2-CD1 3.83Å; I1028-I1042 HydrophobicContact CG2-CG2 3.77Å; F1031-I1042 HydrophobicContact CB-CD1 3.73Å; F1031-I1042 HydrophobicContact CD2-CD1 4.47Å; V1039-I1042 HydrophobicContact CG1-CD1 4.3Å; V1039-I1042 HydrophobicContact CG1-CG1 3.87Å
1043	I	91.6	Very high	72.3	Confident	63 Å²	63	92.2 Å²	92.2	32%	0.323	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.2	177.6	-58.7	171	0	0	0	107.5	A935 I936 Q938	A935-I1043 CarbonylContact C-O 3.58Å; A935-I1043 VanDerWaalsContact CA-O 3.24Å; A935-I1043 WeakPolarHBondContact CA-O 3.33Å; I936-I1043 HydrophobicContact CB-CB 4.44Å; I936-I1043 PolarHBondContact N-O 3.42Å; I936-I1043 PolarHBondContact O-N 3.32Å; Q938-I1043 HydrophobicContact CG-CD1 4.16Å; Q938-I1043 VanDerWaalsContact NE2-CD1 3.3Å
1044	V	88.2	Confident	69.5	Low	63 Å²	63	93 Å²	93	38%	0.382	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.3	172.6	-168.4	0	0	0	0	108.1	I1028	I1028-V1044 HydrophobicContact CD1-CG1 4.31Å; I1028-V1044 HydrophobicContact CD1-CG2 3.53Å
1045	Q	82	Confident	66.4	Low	56 Å²	56	100.1 Å²	100.1	26%	0.262	52%	0.519	S	S	.	.			trans	-87.6	111.6	173.3	-63.6	-166.6	0.4	0	0	108.2	L930 R931 F933 N934	L930-Q1045 PolarHBondContact O-NE2 3.08Å; L930-Q1045 PolarHBondContact O-OE1 2.79Å; R931-Q1045 PolarHBondContact O-OE1 2.84Å; F933-Q1045 WeakPolarHBondContact O-CG 3.26Å; F933-Q1045 PolarHBondContact O-OE1 3.39Å; N934-Q1045 PolarHBondContact O-N 3.24Å
1046	E	66.8	Low	65.1	Low	177 Å²	177	105 Å²	105	83%	0.827	54%	0.544	S	S	*	.			trans	-60	144.5	165.9	-67.7	-177	168.7	0	0	109.1	A1048	E1046-A1048 VanDerWaalsContact C-N 3.34Å; E1046-A1048 PolarHBondContact O-N 3.31Å
1047	D	50.9	Low	63.8	Low	112 Å²	112	107.3 Å²	107.3	60%	0.599	55%	0.546	S	S	*	.			trans	-49	89.8	-172.8	-94.4	-38.3	0	0	0	112.1	K1049	D1047-K1049 PolarHBondContact O-N 3.12Å
1048	A	39.6	Very low	62.5	Low	62 Å²	62	105.7 Å²	105.7	51%	0.512	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-66.1	-1.6	173.1	0	0	0	0	0	112.3	E1046 S1050 K1051	E1046-A1048 VanDerWaalsContact C-N 3.34Å; E1046-A1048 PolarHBondContact O-N 3.31Å; A1048-S1050 PolarHBondContact O-N 2.66Å; A1048-S1050 VanDerWaalsContact O-N 3.1Å; A1048-K1051 PolarHBondContact O-N 2.71Å
1049	K	39.8	Very low	60.8	Low	177 Å²	177	110.8 Å²	110.8	77%	0.77	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-60.8	-12.3	173.5	-74	-175.2	175.8	178.9	0	114.1	D1047 K1051	D1047-K1049 PolarHBondContact O-N 3.12Å; K1049-K1051 VanDerWaalsContact C-N 3.27Å; K1049-K1051 PolarHBondContact O-N 3.21Å
1050	S	33.3	Very low	58.7	Low	109 Å²	109	117.4 Å²	117.4	76%	0.762	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-79.3	-1.8	170.7	72.1	0	0	0	0	114.4	A1048	A1048-S1050 PolarHBondContact O-N 2.66Å; A1048-S1050 VanDerWaalsContact O-N 3.1Å
1051	K	33.6	Very low	56.4	Low	187 Å²	187	117.1 Å²	117.1	81%	0.813	60%	0.603	S	S	*	*	S	Bend	trans	-116.3	-5.5	178.7	-77.2	-169.4	176.4	-179.7	0	116.7	A1048 K1049	A1048-K1051 PolarHBondContact O-N 2.71Å; K1049-K1051 VanDerWaalsContact C-N 3.27Å; K1049-K1051 PolarHBondContact O-N 3.21Å
1052	E	36.1	Very low	53.7	Low	95 Å²	95	117.6 Å²	117.6	44%	0.444	61%	0.612	S	S	.	*			trans	-132.8	44.3	-168.5	-76.7	178.5	-178.7	0	0	115	N1054	E1052-N1054 PolarHBondContact O-N 2.85Å
1053	T	33.8	Very low	50.7	Low	137 Å²	137	124.2 Å²	124.2	84%	0.84	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	19.2	157.6	38.8	0	0	0	0	113.5
1054	N	33.4	Very low	47.3	Very low	155 Å²	155	129.3 Å²	129.3	83%	0.829	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.1	17	-174.6	-90	-19.8	0	0	0	116.1	E1052	E1052-N1054 PolarHBondContact O-N 2.85Å
1055	E	29.8	Very low	43.5	Very low	221 Å²	221	135.3 Å²	135.3	100%	1.033	70%	0.699	S	S	*	*			trans	-130.4	0	163	-74.5	-168.7	176.1	0	0	109.9

Retrieved 1,055 of 1,055 residues in 841.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).