GT2D2_MOUSE Loading...

General transcription factor II-I repeat domain-containing protein 2

AlphaFold DB , UniProt , Accession Q99NI3, Species MOUSE (Mus musculus, Mouse), Gene Gtf2ird2, Length 936 aa.

						>GT2D2_MOUSE|Q99NI3|Gtf2ird2
MAQVAVTTQPTDEPSDGRMVVTFLMSALESMCKELAKSKAEVACIAVYETDVYVVGTERGCAFVNARQDLQKDFAQHCQGEGLPEEKPLCLGNGEACPGEAQLLRRAVQDHFCLCYRKALGTTAMVPVPYEQMLQDEAAVVVRGLPEGLAFQHPDNYSLATLKWILENKAGISFAVKRPFLGAESQLGGLGMVTDAGRPTVPPNDSYGPVSVKTEPMEDSGTSPRAAAMLIKTESEDPNYNVCNVQGSQHFSASSDVTGMELPSEESTRMVALETNEDPETEVKMEGNASPSNLVNSAAGVEDLRIIQVTVADNEKERLSGLEKIKQLREQVNDLFSRKFGEAIGVDFPVKVPYRKITFNPGCVVIDGMPPGVVFKAPGYLEISSMRRILDAADFIKFTVIRPLPGLELSNVGKRKIDQEGRVFQEKWERAYFFVEVQNIPTCLICKQSVSVSKEYNLRRHYQTNHSRHYDQYSGQAREEKLRELKRGLRKYLLGASEIVCPEQPFPNASPPTNSAVQPAEEVAGSLWEKLRQKIRSFVAYSIAIDEITDINDTTQLAIFIRGVDDNFDVSEELLDTVPMTGAKSGNEIFLRVEKSLKKFSIDWSKLVSVASTGTPAMMDANSGLVTKLRARAASCCKGADLKSVRCIIHPEWLCAQKLRMGHVMDVVVDSVNWICSRGLNHGDFTTLLYELDSQYGSLLYHTALKWLGRGLVLRRFFESLEEIDSFMSSRGKPVPQLSSRDWILDLAFLVDMTTHLNTLDASLQGHSQIVTQMYDFIRAFLAKLCLWETHLARNNLAHFPTLKSVSRSESDGLNYIPKIVELKAEFQRRLSDFKSCESELTLFSSPFSTTIDSVREELQMEVIDLQCNTVLRTKYDKVGVPDFYKHLWSSYPKYRSHCARMLSMFSSTHICEQLFSILKLSKKEAQWGAALQVAT
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	30.8	Very low	199 Å²	199	118 Å²	118	98%	0.98	71%	0.707	S	S	*	*				0	138.5	0	-73.2	157.8	160.4	0	0	107.6	F74	M1-F74 HydrophobicContact CE-CE2 4.29Å
2	A	27.6	Very low	30.9	Very low	98 Å²	98	122 Å²	122	81%	0.81	72%	0.722	S	S	*	*			trans	-130.4	129.5	167	0	0	0	0	0	106.1
3	Q	33.9	Very low	31.2	Very low	178 Å²	178	123.3 Å²	123.3	83%	0.832	72%	0.716	S	S	*	*			trans	-117.5	109.2	-174.6	-166.5	176.2	14.1	0	0	106.8
4	V	32.7	Very low	32	Very low	121 Å²	121	123.1 Å²	123.1	73%	0.733	72%	0.721	S	S	*	*			trans	-103.5	98.9	-176.7	-176.8	0	0	0	0	108	V6	V4-V6 HydrophobicContact CG1-CG2 4.11Å; V4-V6 PolarHBondContact O-N 3.26Å
5	A	30.4	Very low	33.1	Very low	94 Å²	94	119.3 Å²	119.3	78%	0.777	70%	0.704	S	S	*	*			trans	-76.9	109.5	172.1	0	0	0	0	0	109.4
6	V	32.7	Very low	34.4	Very low	87 Å²	87	115.9 Å²	115.9	53%	0.527	68%	0.681	S	S	.	*			trans	-96.5	114.8	171.9	-179.8	0	0	0	0	108.1	V4 T8	V4-V6 HydrophobicContact CG1-CG2 4.11Å; V4-V6 PolarHBondContact O-N 3.26Å; V6-T8 HydrophobicContact CG1-CG2 4.26Å
7	T	28.6	Very low	35.6	Very low	119 Å²	119	110.8 Å²	110.8	73%	0.73	66%	0.659	S	S	*	*			trans	-94.5	91.8	176.3	53.1	0	0	0	0	110.7
8	T	32.8	Very low	37	Very low	83 Å²	83	115.6 Å²	115.6	51%	0.509	66%	0.664	S	S	.	*			trans	-96.3	137.6	166	38.9	0	0	0	0	110.3	V6	V6-T8 HydrophobicContact CG1-CG2 4.26Å
9	Q	30.2	Very low	38.4	Very low	84 Å²	84	114.3 Å²	114.3	39%	0.393	65%	0.652	S	S	.	*			trans	-77.7	144.3	170.7	-76.8	-179.9	-38.1	0	0	109.6	T11 P88	Q9-T11 PolarHBondContact O-N 2.99Å; Q9-T11 PolarHBondContact O-OG1 2.99Å; Q9-P88 HydrophobicContact CG-CG 4.4Å; Q9-P88 PolarHBondContact NE2-O 3.34Å
10	P	29.7	Very low	39.8	Very low	118 Å²	118	110.1 Å²	110.1	77%	0.766	63%	0.629	S	S	*	*			trans	-63.5	114.2	176.7	26.7	-33.8	0	0	0	110.1
11	T	29.7	Very low	41.3	Very low	117 Å²	117	106 Å²	106	72%	0.718	61%	0.606	S	S	*	*			trans	-132.1	126.2	173.3	-38.2	0	0	0	0	106.7	Q9 E13	Q9-T11 PolarHBondContact O-N 2.99Å; Q9-T11 PolarHBondContact O-OG1 2.99Å; T11-E13 VanDerWaalsContact C-N 3.31Å; T11-E13 PolarHBondContact O-N 3.35Å
12	D	32.2	Very low	43.3	Very low	166 Å²	166	100.9 Å²	100.9	89%	0.888	59%	0.586	S	S	*	*	S	Bend	trans	-73.8	71.4	-164.8	-63.3	-69.9	0	0	0	114.4
13	E	34.4	Very low	45.6	Very low	139 Å²	139	103.9 Å²	103.9	65%	0.65	58%	0.581	S	S	*	*			trans	-136.9	119	172.8	-90.3	-66.3	160	0	0	111.1	T11 S15	T11-E13 VanDerWaalsContact C-N 3.31Å; T11-E13 PolarHBondContact O-N 3.35Å; E13-S15 PolarHBondContact O-N 3.13Å
14	P	42.4	Very low	47.6	Very low	121 Å²	121	98 Å²	98	79%	0.786	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	17.3	-176.9	32.1	-37.3	0	0	0	114.4
15	S	48.4	Very low	49.9	Very low	66 Å²	66	92.7 Å²	92.7	46%	0.462	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-33.1	-179.9	-165.8	0	0	0	0	112.8	E13 R18	E13-S15 PolarHBondContact O-N 3.13Å; S15-R18 PolarHBondContact O-N 3.26Å
16	D	53.8	Low	52.1	Low	64 Å²	64	91.8 Å²	91.8	34%	0.342	51%	0.51	S	S	.	.	H	α-helix	trans	-72.5	-48	-161.6	-160.2	40.7	0	0	0	113.7	R18 M19 V20	D16-R18 PolarHBondContact O-N 3.1Å; D16-R18 VanDerWaalsContact O-N 3.15Å; D16-M19 WeakPolarHBondContact O-CA 3.38Å; D16-M19 WeakPolarHBondContact O-CB 3.43Å; D16-M19 PolarHBondContact O-N 2.76Å; D16-M19 WeakPolarHBondContact OD1-CE 3.37Å; D16-V20 PolarHBondContact O-N 3.32Å; D16-V20 VanDerWaalsContact O-N 3.12Å
17	G	55	Low	54.2	Low	29 Å²	29	90.7 Å²	90.7	30%	0.299	51%	0.51	S	S	.	.	H	α-helix	trans	-58	-31.6	178.4	0	0	0	0	0	113.8	M19 V20 V21	G17-M19 VanDerWaalsContact C-N 3.34Å; G17-M19 PolarHBondContact O-N 2.91Å; G17-V20 PolarHBondContact O-N 3.01Å; G17-V21 WeakPolarHBondContact O-CG2 3.35Å; G17-V21 PolarHBondContact O-N 3.43Å
18	R	61.1	Low	56.9	Low	198 Å²	198	86.2 Å²	86.2	75%	0.747	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-35	173.2	-73	-176.2	173.4	-179	-0.5	112.2	S15 D16 T22	S15-R18 PolarHBondContact O-N 3.26Å; D16-R18 PolarHBondContact O-N 3.1Å; D16-R18 VanDerWaalsContact O-N 3.15Å; R18-T22 VanDerWaalsContact O-CB 3.28Å; R18-T22 WeakPolarHBondContact O-CB 3.39Å; R18-T22 PolarHBondContact O-N 3.08Å; R18-T22 PolarHBondContact O-OG1 2.92Å
19	M	63	Low	59.1	Low	90 Å²	90	84.5 Å²	84.5	44%	0.443	47%	0.468	S	S	.	.	H	α-helix	trans	-68.7	-43.9	174.2	-64.7	-168.6	-69.5	0	0	110.8	D16 G17 V21 T22 F23	D16-M19 WeakPolarHBondContact O-CA 3.38Å; D16-M19 WeakPolarHBondContact O-CB 3.43Å; D16-M19 PolarHBondContact O-N 2.76Å; D16-M19 WeakPolarHBondContact OD1-CE 3.37Å; G17-M19 VanDerWaalsContact C-N 3.34Å; G17-M19 PolarHBondContact O-N 2.91Å; M19-V21 PolarHBondContact O-N 3.3Å; M19-T22 WeakPolarHBondContact O-CB 3.12Å; M19-T22 PolarHBondContact O-N 3.03Å; M19-T22 VanDerWaalsContact O-N 3.15Å; M19-F23 VanDerWaalsContact O-CD2 3.27Å; M19-F23 WeakPolarHBondContact O-CD2 3.5Å; M19-F23 PolarHBondContact O-N 3Å
20	V	66.6	Low	61.4	Low	30 Å²	30	83.7 Å²	83.7	18%	0.182	47%	0.471	C	S	.	.	H	α-helix	trans	-59.3	-49.3	179	-178.9	0	0	0	0	111.7	D16 G17 T22 F23 L24 Y48	D16-V20 PolarHBondContact O-N 3.32Å; D16-V20 VanDerWaalsContact O-N 3.12Å; G17-V20 PolarHBondContact O-N 3.01Å; V20-T22 VanDerWaalsContact C-N 3.32Å; V20-T22 PolarHBondContact O-N 3.21Å; V20-F23 PolarHBondContact O-N 2.97Å; V20-L24 WeakPolarHBondContact O-CB 3.33Å; V20-L24 PolarHBondContact O-N 3.12Å; V20-Y48 HydrophobicContact CB-CE2 4.25Å; V20-Y48 HydrophobicContact CG1-CD2 4.15Å; V20-Y48 HydrophobicContact CG1-CE2 3.68Å
21	V	72.4	Confident	63.9	Low	24 Å²	24	82.2 Å²	82.2	15%	0.145	46%	0.456	C	S	.	.	H	α-helix	trans	-61.4	-40.5	174.9	173.9	0	0	0	0	111.2	G17 M19 L24 M25 Y48 Y53	G17-V21 WeakPolarHBondContact O-CG2 3.35Å; G17-V21 PolarHBondContact O-N 3.43Å; M19-V21 PolarHBondContact O-N 3.3Å; V21-L24 PolarHBondContact O-N 3Å; V21-M25 HydrophobicContact CG1-CG 4.22Å; V21-M25 WeakPolarHBondContact O-CB 3.47Å; V21-M25 WeakPolarHBondContact O-CG 3.32Å; V21-M25 PolarHBondContact O-N 3.21Å; V21-Y48 HydrophobicContact CG2-CD1 3.58Å; V21-Y48 HydrophobicContact CG2-CD2 4.32Å; V21-Y48 HydrophobicContact CG2-CE1 4Å; V21-Y48 HydrophobicContact CG2-CG 3.8Å; V21-Y53 HydrophobicContact CG1-CE1 3.86Å; V21-Y53 HydrophobicContact CG1-CE2 4.43Å
22	T	72.8	Confident	66.4	Low	92 Å²	92	76.7 Å²	76.7	56%	0.564	42%	0.422	S	S	*	.	H	α-helix	trans	-62.4	-45.4	178.2	-59.1	0	0	0	0	112.3	R18 M19 V20 M25 S26	R18-T22 VanDerWaalsContact O-CB 3.28Å; R18-T22 WeakPolarHBondContact O-CB 3.39Å; R18-T22 PolarHBondContact O-N 3.08Å; R18-T22 PolarHBondContact O-OG1 2.92Å; M19-T22 WeakPolarHBondContact O-CB 3.12Å; M19-T22 PolarHBondContact O-N 3.03Å; M19-T22 VanDerWaalsContact O-N 3.15Å; V20-T22 VanDerWaalsContact C-N 3.32Å; V20-T22 PolarHBondContact O-N 3.21Å; T22-M25 PolarHBondContact O-N 3.41Å; T22-S26 WeakPolarHBondContact O-CB 3.14Å; T22-S26 PolarHBondContact O-N 2.64Å
23	F	74.7	Confident	68.6	Low	161 Å²	161	72.5 Å²	72.5	71%	0.706	40%	0.395	S	S	*	.	H	α-helix	trans	-63.7	-42.5	175.7	-84.7	-68.8	0	0	0	112.1	M19 V20 S26 A27	M19-F23 VanDerWaalsContact O-CD2 3.27Å; M19-F23 WeakPolarHBondContact O-CD2 3.5Å; M19-F23 PolarHBondContact O-N 3Å; V20-F23 PolarHBondContact O-N 2.97Å; F23-S26 PolarHBondContact O-N 2.9Å; F23-A27 WeakPolarHBondContact O-CB 3.3Å; F23-A27 PolarHBondContact O-N 3.16Å
24	L	77.1	Confident	70.6	Confident	54 Å²	54	71 Å²	71	28%	0.283	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-48.6	176.9	-178.9	64.4	0	0	0	111.5	V20 V21 A27 L28 A46	V20-L24 WeakPolarHBondContact O-CB 3.33Å; V20-L24 PolarHBondContact O-N 3.12Å; V21-L24 PolarHBondContact O-N 3Å; L24-A27 PolarHBondContact O-N 3.14Å; L24-L28 HydrophobicContact CD1-CD1 4.16Å; L24-L28 HydrophobicContact CG-CD1 4.06Å; L24-L28 VanDerWaalsContact O-CG 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 2.78Å; L24-A46 HydrophobicContact CD2-CB 4.22Å
25	M	79.2	Confident	72.1	Confident	11 Å²	11	69 Å²	69	5%	0.054	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-44.3	177.9	-69.1	-56.4	103.5	0	0	111.8	V21 T22 A27 L28 E29 A46 Y53 V55 I306	V21-M25 HydrophobicContact CG1-CG 4.22Å; V21-M25 WeakPolarHBondContact O-CB 3.47Å; V21-M25 WeakPolarHBondContact O-CG 3.32Å; V21-M25 PolarHBondContact O-N 3.21Å; T22-M25 PolarHBondContact O-N 3.41Å; M25-A27 PolarHBondContact O-N 2.94Å; M25-L28 HydrophobicContact CE-CD1 3.86Å; M25-L28 PolarHBondContact O-N 3.41Å; M25-E29 WeakPolarHBondContact O-CB 3.46Å; M25-E29 PolarHBondContact O-N 2.85Å; M25-A46 HydrophobicContact CE-CB 4.34Å; M25-Y53 VanDerWaalsContact CE-CB 3.48Å; M25-Y53 HydrophobicContact CE-CD1 4.03Å; M25-Y53 HydrophobicContact CE-CD2 4.11Å; M25-Y53 HydrophobicContact CE-CG 3.61Å; M25-Y53 HydrophobicContact SD-CD1 3.9Å; M25-Y53 HydrophobicContact SD-CG 4Å; M25-V55 HydrophobicContact CE-CG2 4.41Å; M25-V55 HydrophobicContact SD-CG2 3.5Å; M25-V55 VanDerWaalsContact SD-CG2 3.5Å; M25-I306 HydrophobicContact CB-CD1 3.95Å; M25-I306 HydrophobicContact CG-CD1 4.1Å; M25-I306 HydrophobicContact SD-CD1 4.44Å; M25-I306 HydrophobicContact SD-CG1 4.46Å; M25-I306 HydrophobicContact SD-CG2 3.91Å
26	S	77.9	Confident	73.4	Confident	75 Å²	75	67.6 Å²	67.6	52%	0.524	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-41.4	178.2	-178	0	0	0	0	112.8	T22 F23 E29 S30	T22-S26 WeakPolarHBondContact O-CB 3.14Å; T22-S26 PolarHBondContact O-N 2.64Å; F23-S26 PolarHBondContact O-N 2.9Å; S26-E29 PolarHBondContact O-N 3.26Å; S26-S30 WeakPolarHBondContact O-CB 3.3Å; S26-S30 PolarHBondContact O-N 3.39Å
27	A	77.3	Confident	74.6	Confident	63 Å²	63	71 Å²	71	52%	0.521	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-42.2	175.5	0	0	0	0	0	112.3	F23 L24 M25 S30 M31	F23-A27 WeakPolarHBondContact O-CB 3.3Å; F23-A27 PolarHBondContact O-N 3.16Å; L24-A27 PolarHBondContact O-N 3.14Å; M25-A27 PolarHBondContact O-N 2.94Å; A27-S30 PolarHBondContact O-N 2.92Å; A27-M31 WeakPolarHBondContact O-CB 3.26Å; A27-M31 PolarHBondContact O-N 3.23Å
28	L	84.1	Confident	75.3	Confident	25 Å²	25	73.5 Å²	73.5	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-68.4	-38.9	177.2	-68.2	169.9	0	0	0	112.2	L24 M25 M31 C32 C44 A46 V55	L24-L28 HydrophobicContact CD1-CD1 4.16Å; L24-L28 HydrophobicContact CG-CD1 4.06Å; L24-L28 VanDerWaalsContact O-CG 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 2.78Å; M25-L28 HydrophobicContact CE-CD1 3.86Å; M25-L28 PolarHBondContact O-N 3.41Å; L28-M31 HydrophobicContact CD2-CE 3.85Å; L28-C32 VanDerWaalsContact O-CB 3.32Å; L28-C32 WeakPolarHBondContact O-CB 3.3Å; L28-C32 PolarHBondContact O-N 3.07Å; L28-C32 PolarHBondContact O-SG 3.48Å; L28-C44 HydrophobicContact CD2-CB 4.11Å; L28-A46 HydrophobicContact CD1-CB 3.57Å; L28-V55 HydrophobicContact CB-CB 4.31Å; L28-V55 HydrophobicContact CB-CG1 4.34Å; L28-V55 HydrophobicContact CB-CG2 4.35Å
29	E	78.7	Confident	76.1	Confident	47 Å²	47	71.2 Å²	71.2	22%	0.22	38%	0.383	C	S	.	.	H	α-helix	trans	-59.2	-49.6	171.3	-87.8	-163.9	-157.7	0	0	111.6	M25 S26 M31 C32 K33 V55 L304	M25-E29 WeakPolarHBondContact O-CB 3.46Å; M25-E29 PolarHBondContact O-N 2.85Å; S26-E29 PolarHBondContact O-N 3.26Å; E29-M31 PolarHBondContact O-N 3.03Å; E29-C32 CarbonylContact O-C 3.59Å; E29-C32 PolarHBondContact O-N 3.18Å; E29-C32 VanDerWaalsContact O-N 3.15Å; E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 3.13Å; E29-K33 IonicContact OE2-NZ 3.72Å; E29-K33 PolarHBondContact OE2-NZ 3.28Å; E29-V55 HydrophobicContact CG-CG1 3.86Å; E29-L304 HydrophobicContact CG-CB 4.46Å
30	S	79.1	Confident	76.5	Confident	67 Å²	67	68.8 Å²	68.8	47%	0.469	38%	0.378	S	S	.	.	H	α-helix	trans	-58.6	-48	179.8	-172.7	0	0	0	0	111.1	S26 A27 C32 K33 E34	S26-S30 WeakPolarHBondContact O-CB 3.3Å; S26-S30 PolarHBondContact O-N 3.39Å; A27-S30 PolarHBondContact O-N 2.92Å; S30-C32 VanDerWaalsContact C-N 3.34Å; S30-C32 PolarHBondContact O-N 3.2Å; S30-K33 PolarHBondContact O-N 3.26Å; S30-E34 PolarHBondContact O-N 2.84Å
31	M	81.7	Confident	77.4	Confident	88 Å²	88	71.7 Å²	71.7	43%	0.433	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-40.2	174.9	-173.3	178	64.2	0	0	112.4	A27 L28 E29 L35 C44	A27-M31 WeakPolarHBondContact O-CB 3.26Å; A27-M31 PolarHBondContact O-N 3.23Å; L28-M31 HydrophobicContact CD2-CE 3.85Å; E29-M31 PolarHBondContact O-N 3.03Å; M31-L35 HydrophobicContact CG-CD1 4.09Å; M31-L35 WeakPolarHBondContact O-CB 3.45Å; M31-L35 VanDerWaalsContact O-CG 3.27Å; M31-L35 WeakPolarHBondContact O-CG 3.21Å; M31-L35 PolarHBondContact O-N 3.35Å; M31-C44 WeakPolarHBondContact CE-SG 3.22Å
32	C	83	Confident	78	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.007	39%	0.39	C	S	.	.	H	α-helix	trans	-69.7	-34	176.2	-69.5	0	0	0	0	112.7	L28 E29 S30 A36 L304	L28-C32 VanDerWaalsContact O-CB 3.32Å; L28-C32 WeakPolarHBondContact O-CB 3.3Å; L28-C32 PolarHBondContact O-N 3.07Å; L28-C32 PolarHBondContact O-SG 3.48Å; E29-C32 CarbonylContact O-C 3.59Å; E29-C32 PolarHBondContact O-N 3.18Å; E29-C32 VanDerWaalsContact O-N 3.15Å; S30-C32 VanDerWaalsContact C-N 3.34Å; S30-C32 PolarHBondContact O-N 3.2Å; C32-A36 WeakPolarHBondContact O-CB 3.21Å; C32-A36 PolarHBondContact O-N 2.96Å; C32-L304 HydrophobicContact CB-CD2 3.55Å
33	K	78.2	Confident	78.7	Confident	77 Å²	77	69 Å²	69	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-48.3	173.2	-73	171.6	-168.3	166.7	0	110.3	E29 S30 L35 A36 K37 V301 L304	E29-K33 WeakPolarHBondContact O-CG 3.47Å; E29-K33 PolarHBondContact O-N 3.13Å; E29-K33 IonicContact OE2-NZ 3.72Å; E29-K33 PolarHBondContact OE2-NZ 3.28Å; S30-K33 PolarHBondContact O-N 3.26Å; K33-L35 PolarHBondContact O-N 3.3Å; K33-A36 PolarHBondContact O-N 2.84Å; K33-K37 PolarHBondContact O-N 3.29Å; K33-V301 HydrophobicContact CG-CG1 4.4Å; K33-L304 HydrophobicContact CD-CD1 4.04Å; K33-L304 HydrophobicContact CG-CD1 3.39Å
34	E	75.6	Confident	79.3	Confident	108 Å²	108	62.5 Å²	62.5	51%	0.505	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.2	-66.9	-49.3	125.1	0	0	112.7	S30 K37	S30-E34 PolarHBondContact O-N 2.84Å; E34-K37 WeakPolarHBondContact O-CB 3.48Å; E34-K37 PolarHBondContact O-N 3.17Å; E34-K37 VanDerWaalsContact OE1-CE 3.28Å; E34-K37 WeakPolarHBondContact OE1-CE 3.39Å; E34-K37 IonicContact OE1-NZ 3.32Å; E34-K37 PolarHBondContact OE1-NZ 3.02Å; E34-K37 WeakPolarHBondContact OE2-CE 3.5Å; E34-K37 IonicContact OE2-NZ 3.5Å; E34-K37 PolarHBondContact OE2-NZ 3.12Å
35	L	75.5	Confident	79.8	Confident	79 Å²	79	61.7 Å²	61.7	41%	0.414	35%	0.346	S	S	.	.	H	α-helix	trans	-66.5	-37.1	176.5	-70.1	171.1	0	0	0	112.3	M31 K33 K37 S38 V42	M31-L35 HydrophobicContact CG-CD1 4.09Å; M31-L35 WeakPolarHBondContact O-CB 3.45Å; M31-L35 VanDerWaalsContact O-CG 3.27Å; M31-L35 WeakPolarHBondContact O-CG 3.21Å; M31-L35 PolarHBondContact O-N 3.35Å; K33-L35 PolarHBondContact O-N 3.3Å; L35-K37 VanDerWaalsContact C-N 3.28Å; L35-K37 PolarHBondContact O-N 3.09Å; L35-S38 WeakPolarHBondContact O-CB 3.32Å; L35-S38 PolarHBondContact O-N 3.28Å; L35-S38 VanDerWaalsContact O-N 3.11Å; L35-S38 PolarHBondContact O-OG 3.35Å; L35-V42 HydrophobicContact CB-CB 4.45Å; L35-V42 HydrophobicContact CB-CG1 4.05Å; L35-V42 HydrophobicContact CB-CG2 3.97Å
36	A	75.8	Confident	80	Confident	36 Å²	36	61.7 Å²	61.7	30%	0.298	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-26.4	178.3	0	0	0	0	0	113.2	C32 K33 S38 K39 T57	C32-A36 WeakPolarHBondContact O-CB 3.21Å; C32-A36 PolarHBondContact O-N 2.96Å; K33-A36 PolarHBondContact O-N 2.84Å; A36-S38 PolarHBondContact O-N 3.03Å; A36-K39 PolarHBondContact O-N 3.36Å; A36-T57 HydrophobicContact CB-CG2 4Å
37	K	77.5	Confident	80.2	Confident	136 Å²	136	59.7 Å²	59.7	59%	0.591	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.2	171.3	-65.9	175.6	-171.9	173	0	112.6	K33 E34 L35 K39	K33-K37 PolarHBondContact O-N 3.29Å; E34-K37 WeakPolarHBondContact O-CB 3.48Å; E34-K37 PolarHBondContact O-N 3.17Å; E34-K37 VanDerWaalsContact OE1-CE 3.28Å; E34-K37 WeakPolarHBondContact OE1-CE 3.39Å; E34-K37 IonicContact OE1-NZ 3.32Å; E34-K37 PolarHBondContact OE1-NZ 3.02Å; E34-K37 WeakPolarHBondContact OE2-CE 3.5Å; E34-K37 IonicContact OE2-NZ 3.5Å; E34-K37 PolarHBondContact OE2-NZ 3.12Å; L35-K37 VanDerWaalsContact C-N 3.28Å; L35-K37 PolarHBondContact O-N 3.09Å; K37-K39 VanDerWaalsContact C-N 3.25Å; K37-K39 PolarHBondContact O-N 2.88Å
38	S	71.4	Confident	80.2	Confident	82 Å²	82	59.5 Å²	59.5	57%	0.573	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.5	175.7	75.1	0	0	0	0	115.2	L35 A36 A40	L35-S38 WeakPolarHBondContact O-CB 3.32Å; L35-S38 PolarHBondContact O-N 3.28Å; L35-S38 VanDerWaalsContact O-N 3.11Å; L35-S38 PolarHBondContact O-OG 3.35Å; A36-S38 PolarHBondContact O-N 3.03Å; S38-A40 PolarHBondContact O-N 2.83Å; S38-A40 WeakPolarHBondContact OG-CB 3.41Å
39	K	75.8	Confident	79.6	Confident	150 Å²	150	65.1 Å²	65.1	65%	0.652	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	28.7	-172.3	-54.8	174.3	-177.8	169.7	0	113.4	A36 K37	A36-K39 PolarHBondContact O-N 3.36Å; K37-K39 VanDerWaalsContact C-N 3.25Å; K37-K39 PolarHBondContact O-N 2.88Å
40	A	72.9	Confident	79.2	Confident	39 Å²	39	68.3 Å²	68.3	32%	0.322	37%	0.366	S	S	.	.			trans	-89.3	136.5	168.8	0	0	0	0	0	110.9	S38 V42	S38-A40 PolarHBondContact O-N 2.83Å; S38-A40 WeakPolarHBondContact OG-CB 3.41Å; A40-V42 HydrophobicContact CB-CG1 3.98Å; A40-V42 PolarHBondContact O-N 2.85Å; A40-V42 VanDerWaalsContact O-N 3.15Å
41	E	84.5	Confident	78.9	Confident	91 Å²	91	67.1 Å²	67.1	43%	0.425	36%	0.355	S	S	.	.			trans	-76.6	97.3	169.9	-50.8	-66.6	176.6	0	0	108	T57 R59	E41-T57 WeakPolarHBondContact CA-OG1 3.34Å; E41-R59 HydrophobicContact CB-CB 4.27Å; E41-R59 HydrophobicContact CG-CB 4.12Å; E41-R59 WeakPolarHBondContact OE1-CD 3.38Å; E41-R59 IonicContact OE1-CZ 2.79Å; E41-R59 IonicContact OE1-NE 2.82Å; E41-R59 IonicContact OE1-NH1 3.85Å; E41-R59 PolarHBondContact OE1-NH1 2.91Å; E41-R59 WeakPolarHBondContact OE2-CB 3.4Å
42	V	86.1	Confident	78.8	Confident	27 Å²	27	63.7 Å²	63.7	16%	0.164	34%	0.339	C	S	.	.			trans	-108.9	147.1	-177.3	-68.3	0	0	0	0	112.4	L35 A40 G56 T57	L35-V42 HydrophobicContact CB-CB 4.45Å; L35-V42 HydrophobicContact CB-CG1 4.05Å; L35-V42 HydrophobicContact CB-CG2 3.97Å; A40-V42 HydrophobicContact CB-CG1 3.98Å; A40-V42 PolarHBondContact O-N 2.85Å; A40-V42 VanDerWaalsContact O-N 3.15Å; V42-G56 CarbonylContact O-C 3.58Å; V42-G56 WeakPolarHBondContact O-CA 3.32Å; V42-T57 HydrophobicContact CG2-CG2 3.92Å; V42-T57 PolarHBondContact N-OG1 2.82Å; V42-T57 PolarHBondContact O-N 3.01Å; V42-T57 PolarHBondContact O-OG1 3.25Å
43	A	87.3	Confident	78.8	Confident	31 Å²	31	64.6 Å²	64.6	26%	0.256	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.2	162.9	0	0	0	0	0	110.4	V54 V55 G60 V64	A43-V54 HydrophobicContact CB-CG1 4.42Å; A43-V55 CarbonylContact C-O 3.51Å; A43-V55 VanDerWaalsContact CA-O 3.27Å; A43-V55 WeakPolarHBondContact CA-O 3.26Å; A43-G60 VanDerWaalsContact CB-C 3.4Å; A43-V64 HydrophobicContact CB-CG2 3.9Å
44	C	87.4	Confident	79.2	Confident	26 Å²	26	61 Å²	61	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.8	173.5	-66.5	0	0	0	0	109.5	L28 M31 V54 V55	L28-C44 HydrophobicContact CD2-CB 4.11Å; M31-C44 WeakPolarHBondContact CE-SG 3.22Å; C44-V54 WeakPolarHBondContact O-CA 3.46Å; C44-V55 PolarHBondContact N-O 3.08Å; C44-V55 PolarHBondContact O-N 3.07Å
45	I	86.4	Confident	79.7	Confident	37 Å²	37	55.9 Å²	55.9	19%	0.19	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.3	169.3	-49.7	176.4	0	0	0	106.6	V52 Y53 V64 Q71 F74	I45-V52 HydrophobicContact CG2-CG1 3.69Å; I45-Y53 WeakPolarHBondContact CA-O 3.46Å; I45-V64 HydrophobicContact CD1-CG1 3.84Å; I45-V64 HydrophobicContact CG1-CG1 3.76Å; I45-Q71 HydrophobicContact CD1-CG 4.43Å; I45-F74 HydrophobicContact CB-CD1 3.87Å; I45-F74 HydrophobicContact CB-CE1 4.05Å; I45-F74 HydrophobicContact CB-CG 4.4Å; I45-F74 HydrophobicContact CG2-CD1 3.45Å; I45-F74 VanDerWaalsContact CG2-CD1 3.45Å; I45-F74 HydrophobicContact CG2-CE1 3.93Å; I45-F74 HydrophobicContact CG2-CG 4.2Å; I45-F74 WeakPolarHBondContact O-CE1 3.39Å
46	A	83.5	Confident	80.2	Confident	10 Å²	10	52.1 Å²	52.1	8%	0.083	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.9	169.9	0	0	0	0	0	109.7	L24 M25 L28 Y53	L24-A46 HydrophobicContact CD2-CB 4.22Å; M25-A46 HydrophobicContact CE-CB 4.34Å; L28-A46 HydrophobicContact CD1-CB 3.57Å; A46-Y53 PolarHBondContact N-O 3.21Å; A46-Y53 PolarHBondContact O-N 3.49Å
47	V	81.6	Confident	80.7	Confident	33 Å²	33	51.5 Å²	51.5	20%	0.2	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131	177.2	-175.5	0	0	0	0	107.2	D51 V52 F74 A75 C78	V47-D51 WeakPolarHBondContact CA-O 2.99Å; V47-V52 HydrophobicContact CG2-CG2 4.38Å; V47-F74 HydrophobicContact CG2-CD1 3.74Å; V47-F74 HydrophobicContact CG2-CE1 3.92Å; V47-A75 HydrophobicContact CG2-CB 4.42Å; V47-C78 HydrophobicContact CB-CB 4.31Å; V47-C78 HydrophobicContact CG1-CB 4.47Å; V47-C78 HydrophobicContact CG2-CB 4.4Å
48	Y	77.6	Confident	80.8	Confident	60 Å²	60	50.7 Å²	50.7	24%	0.235	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.4	172.2	175.6	-85.2	0	0	0	107.6	V20 V21 T50 D51	V20-Y48 HydrophobicContact CB-CE2 4.25Å; V20-Y48 HydrophobicContact CG1-CD2 4.15Å; V20-Y48 HydrophobicContact CG1-CE2 3.68Å; V21-Y48 HydrophobicContact CG2-CD1 3.58Å; V21-Y48 HydrophobicContact CG2-CD2 4.32Å; V21-Y48 HydrophobicContact CG2-CE1 4Å; V21-Y48 HydrophobicContact CG2-CG 3.8Å; Y48-T50 PolarHBondContact O-N 2.75Å; Y48-D51 PolarHBondContact N-O 2.97Å; Y48-D51 PolarHBondContact O-N 2.81Å
49	E	72.2	Confident	81.2	Confident	142 Å²	142	55 Å²	55	66%	0.664	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	-101.6	-169	-64.5	172.4	-150.9	0	0	112.3
50	T	69.9	Low	81.6	Confident	115 Å²	115	48.2 Å²	48.2	71%	0.706	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-10.1	176.6	51.6	0	0	0	0	113.8	Y48	Y48-T50 PolarHBondContact O-N 2.75Å
51	D	74	Confident	82.2	Confident	42 Å²	42	46.5 Å²	46.5	23%	0.225	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.2	-177.4	-88.6	-47.7	0	0	0	111.8	V47 Y48 Y53 Q308	V47-D51 WeakPolarHBondContact CA-O 2.99Å; Y48-D51 PolarHBondContact N-O 2.97Å; Y48-D51 PolarHBondContact O-N 2.81Å; D51-Y53 HydrophobicContact CB-CD2 4.3Å; D51-Y53 HydrophobicContact CB-CE2 3.44Å; D51-Y53 VanDerWaalsContact CB-CE2 3.44Å; D51-Y53 PolarHBondContact OD2-OH 2.84Å; D51-Q308 PolarHBondContact OD1-NE2 3.27Å; D51-Q308 PolarHBondContact OD2-NE2 3.13Å; D51-Q308 VanDerWaalsContact OD2-NE2 3.1Å
52	V	79.7	Confident	82.2	Confident	16 Å²	16	44.9 Å²	44.9	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.4	171.8	-172.8	0	0	0	0	109.4	I45 V47 Q71 A75	I45-V52 HydrophobicContact CG2-CG1 3.69Å; V47-V52 HydrophobicContact CG2-CG2 4.38Å; V52-Q71 HydrophobicContact CG1-CB 4.34Å; V52-A75 HydrophobicContact CG2-CB 4.15Å
53	Y	83	Confident	82.1	Confident	20 Å²	20	49.6 Å²	49.6	8%	0.078	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.1	179.5	-59.6	-91.6	0	0	0	110.2	V21 M25 I45 A46 D51 I306	V21-Y53 HydrophobicContact CG1-CE1 3.86Å; V21-Y53 HydrophobicContact CG1-CE2 4.43Å; M25-Y53 VanDerWaalsContact CE-CB 3.48Å; M25-Y53 HydrophobicContact CE-CD1 4.03Å; M25-Y53 HydrophobicContact CE-CD2 4.11Å; M25-Y53 HydrophobicContact CE-CG 3.61Å; M25-Y53 HydrophobicContact SD-CD1 3.9Å; M25-Y53 HydrophobicContact SD-CG 4Å; I45-Y53 WeakPolarHBondContact CA-O 3.46Å; A46-Y53 PolarHBondContact N-O 3.21Å; A46-Y53 PolarHBondContact O-N 3.49Å; D51-Y53 HydrophobicContact CB-CD2 4.3Å; D51-Y53 HydrophobicContact CB-CE2 3.44Å; D51-Y53 VanDerWaalsContact CB-CE2 3.44Å; D51-Y53 PolarHBondContact OD2-OH 2.84Å; Y53-I306 HydrophobicContact CD1-CG2 4.43Å
54	V	85.3	Confident	82	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.2	173.2	-175.3	0	0	0	0	109.3	A43 C44 C61 V64 I306 I307	A43-V54 HydrophobicContact CB-CG1 4.42Å; C44-V54 WeakPolarHBondContact O-CA 3.46Å; V54-C61 HydrophobicContact CG1-CB 4.27Å; V54-V64 HydrophobicContact CB-CG1 4.38Å; V54-V64 HydrophobicContact CG1-CB 3.94Å; V54-V64 HydrophobicContact CG1-CG1 3.69Å; V54-V64 HydrophobicContact CG2-CG1 3.69Å; V54-I306 WeakPolarHBondContact O-CA 3.09Å; V54-I307 PolarHBondContact N-O 3.46Å; V54-I307 PolarHBondContact O-N 2.85Å
55	V	86.7	Confident	81.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.6	-178.5	-175.9	0	0	0	0	109.3	M25 L28 E29 A43 C44 L304 I306	M25-V55 HydrophobicContact CE-CG2 4.41Å; M25-V55 HydrophobicContact SD-CG2 3.5Å; M25-V55 VanDerWaalsContact SD-CG2 3.5Å; L28-V55 HydrophobicContact CB-CB 4.31Å; L28-V55 HydrophobicContact CB-CG1 4.34Å; L28-V55 HydrophobicContact CB-CG2 4.35Å; E29-V55 HydrophobicContact CG-CG1 3.86Å; A43-V55 CarbonylContact C-O 3.51Å; A43-V55 VanDerWaalsContact CA-O 3.27Å; A43-V55 WeakPolarHBondContact CA-O 3.26Å; C44-V55 PolarHBondContact N-O 3.08Å; C44-V55 PolarHBondContact O-N 3.07Å; V55-L304 HydrophobicContact CG1-CD2 3.95Å; V55-I306 HydrophobicContact CG2-CG1 4.24Å
56	G	86.3	Confident	81.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-172.4	-179.4	0	0	0	0	0	115.9	V42 C61 L304	V42-G56 CarbonylContact O-C 3.58Å; V42-G56 WeakPolarHBondContact O-CA 3.32Å; G56-C61 VanDerWaalsContact CA-SG 3.54Å; G56-C61 PolarHBondContact N-SG 3.13Å; G56-L304 WeakPolarHBondContact O-CD2 3.31Å
57	T	85.3	Confident	81.5	Confident	24 Å²	24	55.7 Å²	55.7	15%	0.147	29%	0.287	C	S	.	.			trans	-58.7	153	167.2	58.6	0	0	0	0	111.2	A36 E41 V42 R59 G60 C61	A36-T57 HydrophobicContact CB-CG2 4Å; E41-T57 WeakPolarHBondContact CA-OG1 3.34Å; V42-T57 HydrophobicContact CG2-CG2 3.92Å; V42-T57 PolarHBondContact N-OG1 2.82Å; V42-T57 PolarHBondContact O-N 3.01Å; V42-T57 PolarHBondContact O-OG1 3.25Å; T57-R59 VanDerWaalsContact C-N 3.33Å; T57-R59 PolarHBondContact O-N 2.97Å; T57-G60 WeakPolarHBondContact O-CA 3.3Å; T57-G60 PolarHBondContact O-N 3.37Å; T57-G60 PolarHBondContact OG1-N 3.1Å; T57-C61 PolarHBondContact O-N 2.91Å
58	E	79.5	Confident	81.4	Confident	118 Å²	118	58.6 Å²	58.6	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-56.5	-43.2	-177.1	-172.9	174.7	-140.7	0	0	112.8	A62 R305	E58-A62 VanDerWaalsContact O-CB 3.24Å; E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 3.09Å; E58-R305 IonicContact OE1-CZ 3.21Å; E58-R305 IonicContact OE1-NH1 3.8Å; E58-R305 PolarHBondContact OE1-NH1 3.37Å; E58-R305 IonicContact OE1-NH2 3.2Å; E58-R305 PolarHBondContact OE1-NH2 3.22Å
59	R	79.2	Confident	81.5	Confident	174 Å²	174	59 Å²	59	66%	0.657	31%	0.305	S	S	*	.	H	α-helix	trans	-72.5	-33.4	176.6	-55	-165.1	178.5	117.1	-1.4	112.8	E41 T57 A62 F63	E41-R59 HydrophobicContact CB-CB 4.27Å; E41-R59 HydrophobicContact CG-CB 4.12Å; E41-R59 WeakPolarHBondContact OE1-CD 3.38Å; E41-R59 IonicContact OE1-CZ 2.79Å; E41-R59 IonicContact OE1-NE 2.82Å; E41-R59 IonicContact OE1-NH1 3.85Å; E41-R59 PolarHBondContact OE1-NH1 2.91Å; E41-R59 WeakPolarHBondContact OE2-CB 3.4Å; T57-R59 VanDerWaalsContact C-N 3.33Å; T57-R59 PolarHBondContact O-N 2.97Å; R59-A62 PolarHBondContact O-N 3.19Å; R59-F63 VanDerWaalsContact O-CB 3.31Å; R59-F63 WeakPolarHBondContact O-CB 3.4Å; R59-F63 PolarHBondContact O-N 3.4Å
60	G	86	Confident	81.8	Confident	6 Å²	6	55 Å²	55	6%	0.062	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-51.9	173.8	0	0	0	0	0	111.5	A43 T57 A62 F63 V64	A43-G60 VanDerWaalsContact CB-C 3.4Å; T57-G60 WeakPolarHBondContact O-CA 3.3Å; T57-G60 PolarHBondContact O-N 3.37Å; T57-G60 PolarHBondContact OG1-N 3.1Å; G60-A62 PolarHBondContact O-N 3.38Å; G60-F63 PolarHBondContact O-N 2.69Å; G60-V64 WeakPolarHBondContact O-CG2 3.33Å; G60-V64 PolarHBondContact O-N 3.31Å
61	C	85	Confident	82.3	Confident	4 Å²	4	50 Å²	50	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-41.2	176.2	-67	0	0	0	0	111.6	V54 G56 T57 F63 V64 N65	V54-C61 HydrophobicContact CG1-CB 4.27Å; G56-C61 VanDerWaalsContact CA-SG 3.54Å; G56-C61 PolarHBondContact N-SG 3.13Å; T57-C61 PolarHBondContact O-N 2.91Å; C61-F63 VanDerWaalsContact C-N 3.35Å; C61-F63 PolarHBondContact O-N 3.3Å; C61-V64 PolarHBondContact O-N 3.3Å; C61-N65 VanDerWaalsContact O-CB 3.26Å; C61-N65 WeakPolarHBondContact O-CB 3.24Å; C61-N65 VanDerWaalsContact O-CG 3.23Å; C61-N65 PolarHBondContact O-N 2.66Å; C61-N65 PolarHBondContact O-ND2 2.72Å
62	A	83.2	Confident	82.5	Confident	57 Å²	57	52.5 Å²	52.5	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-39.5	175.2	0	0	0	0	0	112.6	E58 R59 G60 A66	E58-A62 VanDerWaalsContact O-CB 3.24Å; E58-A62 WeakPolarHBondContact O-CB 3.45Å; E58-A62 PolarHBondContact O-N 3.09Å; R59-A62 PolarHBondContact O-N 3.19Å; G60-A62 PolarHBondContact O-N 3.38Å; A62-A66 VanDerWaalsContact O-CB 3.25Å; A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 2.97Å
63	F	84.8	Confident	82.3	Confident	126 Å²	126	56.3 Å²	56.3	55%	0.553	29%	0.285	S	S	*	.	H	α-helix	trans	-64.9	-44.6	175.8	175.2	-92.6	0	0	0	112.1	R59 G60 C61 A66 R67 L70	R59-F63 VanDerWaalsContact O-CB 3.31Å; R59-F63 WeakPolarHBondContact O-CB 3.4Å; R59-F63 PolarHBondContact O-N 3.4Å; G60-F63 PolarHBondContact O-N 2.69Å; C61-F63 VanDerWaalsContact C-N 3.35Å; C61-F63 PolarHBondContact O-N 3.3Å; F63-A66 PolarHBondContact O-N 2.83Å; F63-R67 WeakPolarHBondContact O-CG 3.45Å; F63-R67 PolarHBondContact O-N 3.38Å; F63-L70 HydrophobicContact CE1-CD1 4.11Å
64	V	84.7	Confident	82.2	Confident	12 Å²	12	58 Å²	58	7%	0.073	29%	0.292	C	S	.	.	H	α-helix	trans	-69.6	-37.6	178.4	171.8	0	0	0	0	111.7	A43 I45 V54 G60 C61 A66 R67 Q71	A43-V64 HydrophobicContact CB-CG2 3.9Å; I45-V64 HydrophobicContact CD1-CG1 3.84Å; I45-V64 HydrophobicContact CG1-CG1 3.76Å; V54-V64 HydrophobicContact CB-CG1 4.38Å; V54-V64 HydrophobicContact CG1-CB 3.94Å; V54-V64 HydrophobicContact CG1-CG1 3.69Å; V54-V64 HydrophobicContact CG2-CG1 3.69Å; G60-V64 WeakPolarHBondContact O-CG2 3.33Å; G60-V64 PolarHBondContact O-N 3.31Å; C61-V64 PolarHBondContact O-N 3.3Å; V64-A66 VanDerWaalsContact C-N 3.35Å; V64-R67 CarbonylContact O-C 3.34Å; V64-R67 PolarHBondContact O-N 3.07Å; V64-R67 VanDerWaalsContact O-N 3.08Å; V64-Q71 HydrophobicContact CG1-CG 4.02Å; V64-Q71 PolarHBondContact O-NE2 2.86Å
65	N	81	Confident	81.7	Confident	46 Å²	46	58.7 Å²	58.7	25%	0.246	30%	0.298	C	S	.	.	H	α-helix	trans	-73.9	-25.4	176.9	-69.6	-14.7	0	0	0	113	C61 R67 Q71 I307	C61-N65 VanDerWaalsContact O-CB 3.26Å; C61-N65 WeakPolarHBondContact O-CB 3.24Å; C61-N65 VanDerWaalsContact O-CG 3.23Å; C61-N65 PolarHBondContact O-N 2.66Å; C61-N65 PolarHBondContact O-ND2 2.72Å; N65-R67 PolarHBondContact O-N 3.15Å; N65-Q71 PolarHBondContact OD1-NE2 2.7Å; N65-I307 VanDerWaalsContact ND2-CD1 3.33Å; N65-I307 WeakPolarHBondContact ND2-CD1 3.39Å
66	A	83.6	Confident	81.1	Confident	82 Å²	82	64 Å²	64	68%	0.678	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-1	167.4	0	0	0	0	0	113.7	A62 F63 V64	A62-A66 VanDerWaalsContact O-CB 3.25Å; A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 2.97Å; F63-A66 PolarHBondContact O-N 2.83Å; V64-A66 VanDerWaalsContact C-N 3.35Å
67	R	83.2	Confident	80.6	Confident	92 Å²	92	69.5 Å²	69.5	35%	0.347	35%	0.348	S	S	.	.			trans	-130.5	67	-177.6	-69.8	-64.9	-61.5	-85.5	0.9	110.9	F63 V64 N65 D69 L70 Q71	F63-R67 WeakPolarHBondContact O-CG 3.45Å; F63-R67 PolarHBondContact O-N 3.38Å; V64-R67 CarbonylContact O-C 3.34Å; V64-R67 PolarHBondContact O-N 3.07Å; V64-R67 VanDerWaalsContact O-N 3.08Å; N65-R67 PolarHBondContact O-N 3.15Å; R67-D69 VanDerWaalsContact C-OD1 3.23Å; R67-D69 WeakPolarHBondContact CA-OD1 3.44Å; R67-D69 WeakPolarHBondContact CB-OD1 3.46Å; R67-D69 WeakPolarHBondContact CD-OD1 3.34Å; R67-D69 IonicContact CZ-OD1 2.78Å; R67-D69 IonicContact CZ-OD2 3.01Å; R67-D69 VanDerWaalsContact CZ-OD2 3.23Å; R67-D69 VanDerWaalsContact NE-CG 3.31Å; R67-D69 IonicContact NE-OD1 3.25Å; R67-D69 PolarHBondContact NE-OD1 3.28Å; R67-D69 IonicContact NE-OD2 3.83Å; R67-D69 PolarHBondContact NE-OD2 2.94Å; R67-D69 IonicContact NH2-OD1 2.37Å; R67-D69 IonicContact NH2-OD2 3.72Å; R67-D69 PolarHBondContact NH2-OD2 3.23Å; R67-D69 PolarHBondContact O-N 3.26Å; R67-L70 HydrophobicContact CB-CB 4.07Å; R67-L70 HydrophobicContact CB-CD1 3.69Å; R67-L70 HydrophobicContact CB-CG 3.84Å; R67-L70 HydrophobicContact CG-CD1 3.99Å; R67-L70 HydrophobicContact CG-CG 4.45Å; R67-L70 WeakPolarHBondContact O-CB 3.4Å; R67-L70 PolarHBondContact O-N 3.42Å; R67-Q71 PolarHBondContact O-N 3.03Å
68	Q	78.8	Confident	79.7	Confident	93 Å²	93	71.4 Å²	71.4	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-57.5	-26.6	173.3	-72.9	-174.7	-22	0	0	112.5	Q71 K72	Q68-Q71 PolarHBondContact O-N 3.19Å; Q68-K72 WeakPolarHBondContact O-CB 3.45Å; Q68-K72 PolarHBondContact O-N 2.69Å
69	D	80.1	Confident	78.9	Confident	70 Å²	70	71.6 Å²	71.6	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-44.2	169.7	62.3	-42	0	0	0	112.3	R67 Q71 K72 D73	R67-D69 VanDerWaalsContact C-OD1 3.23Å; R67-D69 WeakPolarHBondContact CA-OD1 3.44Å; R67-D69 WeakPolarHBondContact CB-OD1 3.46Å; R67-D69 WeakPolarHBondContact CD-OD1 3.34Å; R67-D69 IonicContact CZ-OD1 2.78Å; R67-D69 IonicContact CZ-OD2 3.01Å; R67-D69 VanDerWaalsContact CZ-OD2 3.23Å; R67-D69 VanDerWaalsContact NE-CG 3.31Å; R67-D69 IonicContact NE-OD1 3.25Å; R67-D69 PolarHBondContact NE-OD1 3.28Å; R67-D69 IonicContact NE-OD2 3.83Å; R67-D69 PolarHBondContact NE-OD2 2.94Å; R67-D69 IonicContact NH2-OD1 2.37Å; R67-D69 IonicContact NH2-OD2 3.72Å; R67-D69 PolarHBondContact NH2-OD2 3.23Å; R67-D69 PolarHBondContact O-N 3.26Å; D69-Q71 VanDerWaalsContact C-N 3.3Å; D69-Q71 PolarHBondContact O-N 3.37Å; D69-K72 PolarHBondContact O-N 3.31Å; D69-D73 VanDerWaalsContact O-CB 3.3Å; D69-D73 WeakPolarHBondContact O-CB 3.41Å; D69-D73 VanDerWaalsContact O-CG 3.23Å; D69-D73 PolarHBondContact O-N 2.88Å
70	L	78.6	Confident	77.3	Confident	56 Å²	56	66.3 Å²	66.3	29%	0.293	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-33.3	175.5	-66.6	178.2	0	0	0	112.6	F63 R67 F74	F63-L70 HydrophobicContact CE1-CD1 4.11Å; R67-L70 HydrophobicContact CB-CB 4.07Å; R67-L70 HydrophobicContact CB-CD1 3.69Å; R67-L70 HydrophobicContact CB-CG 3.84Å; R67-L70 HydrophobicContact CG-CD1 3.99Å; R67-L70 HydrophobicContact CG-CG 4.45Å; R67-L70 WeakPolarHBondContact O-CB 3.4Å; R67-L70 PolarHBondContact O-N 3.42Å; L70-F74 VanDerWaalsContact O-CB 3.24Å; L70-F74 WeakPolarHBondContact O-CB 3.46Å; L70-F74 PolarHBondContact O-N 3.43Å
71	Q	80.2	Confident	74.9	Confident	10 Å²	10	72.1 Å²	72.1	5%	0.047	39%	0.388	C	S	.	.	H	α-helix	trans	-70.8	-41.2	175.1	-60.3	-172.5	25.7	0	0	111.4	I45 V52 V64 N65 R67 Q68 D69 F74 A75	I45-Q71 HydrophobicContact CD1-CG 4.43Å; V52-Q71 HydrophobicContact CG1-CB 4.34Å; V64-Q71 HydrophobicContact CG1-CG 4.02Å; V64-Q71 PolarHBondContact O-NE2 2.86Å; N65-Q71 PolarHBondContact OD1-NE2 2.7Å; R67-Q71 PolarHBondContact O-N 3.03Å; Q68-Q71 PolarHBondContact O-N 3.19Å; D69-Q71 VanDerWaalsContact C-N 3.3Å; D69-Q71 PolarHBondContact O-N 3.37Å; Q71-F74 PolarHBondContact O-N 3.29Å; Q71-A75 VanDerWaalsContact O-CB 3.31Å; Q71-A75 WeakPolarHBondContact O-CB 3.2Å; Q71-A75 PolarHBondContact O-N 3.26Å
72	K	77.7	Confident	72.3	Confident	95 Å²	95	74.9 Å²	74.9	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-71.2	-44.2	-179.6	-166.9	171.6	-172.5	169.3	0	112	Q68 D69 F74 A75 Q76 E315	Q68-K72 WeakPolarHBondContact O-CB 3.45Å; Q68-K72 PolarHBondContact O-N 2.69Å; D69-K72 PolarHBondContact O-N 3.31Å; K72-F74 VanDerWaalsContact C-N 3.31Å; K72-F74 PolarHBondContact O-N 3.34Å; K72-A75 PolarHBondContact O-N 3.47Å; K72-Q76 VanDerWaalsContact O-CB 3.31Å; K72-Q76 WeakPolarHBondContact O-CB 3.43Å; K72-Q76 VanDerWaalsContact O-CG 3.26Å; K72-Q76 WeakPolarHBondContact O-CG 3.26Å; K72-Q76 PolarHBondContact O-N 3.08Å; K72-E315 IonicContact NZ-OE2 3.63Å
73	D	76.7	Confident	69.7	Low	97 Å²	97	80.2 Å²	80.2	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-42.3	172.9	-73.7	-3.3	0	0	0	110.8	D69 H77	D69-D73 VanDerWaalsContact O-CB 3.3Å; D69-D73 WeakPolarHBondContact O-CB 3.41Å; D69-D73 VanDerWaalsContact O-CG 3.23Å; D69-D73 PolarHBondContact O-N 2.88Å; D73-H77 VanDerWaalsContact O-CB 3.3Å; D73-H77 WeakPolarHBondContact O-CB 3.1Å; D73-H77 PolarHBondContact O-N 3.49Å
74	F	79.4	Confident	67	Low	55 Å²	55	80 Å²	80	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-70.2	-42.9	178.2	-169.8	-103.8	0	0	0	112.3	M1 I45 V47 L70 Q71 K72 H77 C78	M1-F74 HydrophobicContact CE-CE2 4.29Å; I45-F74 HydrophobicContact CB-CD1 3.87Å; I45-F74 HydrophobicContact CB-CE1 4.05Å; I45-F74 HydrophobicContact CB-CG 4.4Å; I45-F74 HydrophobicContact CG2-CD1 3.45Å; I45-F74 VanDerWaalsContact CG2-CD1 3.45Å; I45-F74 HydrophobicContact CG2-CE1 3.93Å; I45-F74 HydrophobicContact CG2-CG 4.2Å; I45-F74 WeakPolarHBondContact O-CE1 3.39Å; V47-F74 HydrophobicContact CG2-CD1 3.74Å; V47-F74 HydrophobicContact CG2-CE1 3.92Å; L70-F74 VanDerWaalsContact O-CB 3.24Å; L70-F74 WeakPolarHBondContact O-CB 3.46Å; L70-F74 PolarHBondContact O-N 3.43Å; Q71-F74 PolarHBondContact O-N 3.29Å; K72-F74 VanDerWaalsContact C-N 3.31Å; K72-F74 PolarHBondContact O-N 3.34Å; F74-H77 WeakPolarHBondContact O-CB 3.23Å; F74-H77 PolarHBondContact O-N 2.95Å; F74-C78 PolarHBondContact O-N 2.96Å; F74-C78 PolarHBondContact O-SG 2.95Å; F74-C78 VanDerWaalsContact O-SG 3.38Å
75	A	76.3	Confident	64.4	Low	14 Å²	14	88.6 Å²	88.6	12%	0.116	49%	0.487	C	S	.	.	H	α-helix	trans	-62.8	-41.9	174.2	0	0	0	0	0	112.2	V47 V52 Q71 K72 H77 C78 Q79	V47-A75 HydrophobicContact CG2-CB 4.42Å; V52-A75 HydrophobicContact CG2-CB 4.15Å; Q71-A75 VanDerWaalsContact O-CB 3.31Å; Q71-A75 WeakPolarHBondContact O-CB 3.2Å; Q71-A75 PolarHBondContact O-N 3.26Å; K72-A75 PolarHBondContact O-N 3.47Å; A75-H77 VanDerWaalsContact C-N 3.34Å; A75-C78 PolarHBondContact O-N 3.02Å; A75-Q79 WeakPolarHBondContact O-CB 3.33Å; A75-Q79 WeakPolarHBondContact O-CG 3.48Å; A75-Q79 PolarHBondContact O-N 2.73Å
76	Q	74.3	Confident	61.9	Low	114 Å²	114	95.8 Å²	95.8	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-35	174	-73.8	179.8	-2.8	0	0	112.3	K72 Q79 G80	K72-Q76 VanDerWaalsContact O-CB 3.31Å; K72-Q76 WeakPolarHBondContact O-CB 3.43Å; K72-Q76 VanDerWaalsContact O-CG 3.26Å; K72-Q76 WeakPolarHBondContact O-CG 3.26Å; K72-Q76 PolarHBondContact O-N 3.08Å; Q76-Q79 PolarHBondContact O-N 2.71Å; Q76-G80 WeakPolarHBondContact O-CA 3.32Å; Q76-G80 PolarHBondContact O-N 3.38Å
77	H	74.1	Confident	59.2	Low	114 Å²	114	100.7 Å²	100.7	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-41.1	172.4	-176.5	46.5	0	0	0	111.8	D73 F74 A75 G80	D73-H77 VanDerWaalsContact O-CB 3.3Å; D73-H77 WeakPolarHBondContact O-CB 3.1Å; D73-H77 PolarHBondContact O-N 3.49Å; F74-H77 WeakPolarHBondContact O-CB 3.23Å; F74-H77 PolarHBondContact O-N 2.95Å; A75-H77 VanDerWaalsContact C-N 3.34Å; H77-G80 PolarHBondContact O-N 3.35Å
78	C	66.7	Low	56.5	Low	64 Å²	64	99.3 Å²	99.3	43%	0.432	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-34.4	174.8	-68.9	0	0	0	0	113.6	V47 F74 A75	V47-C78 HydrophobicContact CB-CB 4.31Å; V47-C78 HydrophobicContact CG1-CB 4.47Å; V47-C78 HydrophobicContact CG2-CB 4.4Å; F74-C78 PolarHBondContact O-N 2.96Å; F74-C78 PolarHBondContact O-SG 2.95Å; F74-C78 VanDerWaalsContact O-SG 3.38Å; A75-C78 PolarHBondContact O-N 3.02Å
79	Q	62.6	Low	54.1	Low	123 Å²	123	102.6 Å²	102.6	58%	0.575	55%	0.548	S	S	*	.	H	α-helix	trans	-82.9	-13.9	176.7	-69.7	175.3	-4.2	0	0	113.3	A75 Q76	A75-Q79 WeakPolarHBondContact O-CB 3.33Å; A75-Q79 WeakPolarHBondContact O-CG 3.48Å; A75-Q79 PolarHBondContact O-N 2.73Å; Q76-Q79 PolarHBondContact O-N 2.71Å
80	G	46.7	Very low	51.5	Low	63 Å²	63	104 Å²	104	65%	0.649	56%	0.562	S	S	*	*	H	α-helix	trans	-82.8	-22.2	-174.8	0	0	0	0	0	116	Q76 H77 G82	Q76-G80 WeakPolarHBondContact O-CA 3.32Å; Q76-G80 PolarHBondContact O-N 3.38Å; H77-G80 PolarHBondContact O-N 3.35Å; G80-G82 PolarHBondContact O-N 2.88Å
81	E	36	Very low	49.2	Very low	128 Å²	128	109.9 Å²	109.9	60%	0.598	59%	0.593	S	S	*	*			trans	-91.7	74.3	169.9	-82.4	-150.4	129.4	0	0	110.8	R106	E81-R106 IonicContact OE1-CZ 3.98Å; E81-R106 IonicContact OE1-NH2 2.61Å; E81-R106 PolarHBondContact OE1-NH2 3.17Å
82	G	28.8	Very low	46.4	Very low	61 Å²	61	112.7 Å²	112.7	63%	0.629	62%	0.624	S	S	*	*			trans	-113.2	104.5	174.1	0	0	0	0	0	113.3	G80	G80-G82 PolarHBondContact O-N 2.88Å
83	L	28.7	Very low	43.9	Very low	169 Å²	169	116.7 Å²	116.7	89%	0.885	65%	0.651	S	S	*	*			trans	-143.6	160.2	165.9	-119.2	89.5	0	0	0	108
84	P	29.3	Very low	41.6	Very low	121 Å²	121	115.8 Å²	115.8	79%	0.786	66%	0.664	S	S	*	*				-88.2	166.7	-123.1	-15.3	33.2	0	0	0	117.2
85	E	29.2	Very low	39.1	Very low	193 Å²	193	122.8 Å²	122.8	90%	0.902	70%	0.697	S	S	*	*			trans	-63.6	143.4	173.8	-55.5	176.9	103.8	0	0	113.3
86	E	28.4	Very low	36.9	Very low	197 Å²	197	125.4 Å²	125.4	92%	0.921	72%	0.719	S	S	*	*			trans	-150.1	151.1	146.3	-130.5	172.6	-157	0	0	110.9
87	K	26.2	Very low	35.1	Very low	185 Å²	185	124.2 Å²	124.2	80%	0.804	72%	0.722	S	S	*	*			trans	-81.4	142.9	-161.3	-74	177.9	175.2	176.6	0	114.3
88	P	27.5	Very low	34	Very low	64 Å²	64	123.6 Å²	123.6	42%	0.416	73%	0.729	S	S	.	*			trans	-71.7	146.9	163.9	-7.8	23.6	0	0	0	111.5	Q9	Q9-P88 HydrophobicContact CG-CG 4.4Å; Q9-P88 PolarHBondContact NE2-O 3.34Å
89	L	28.2	Very low	33.6	Very low	162 Å²	162	122.5 Å²	122.5	85%	0.848	73%	0.728	S	S	*	*			trans	-138	159	161.9	-88.1	173.8	0	0	0	110.6
90	C	25.1	Very low	34.1	Very low	100 Å²	100	120.4 Å²	120.4	68%	0.676	72%	0.718	S	S	*	*			trans	-93.9	173.2	-155	-66.7	0	0	0	0	116.2
91	L	30	Very low	35.4	Very low	178 Å²	178	118 Å²	118	93%	0.932	69%	0.693	S	S	*	*			trans	-35.2	127	-174.3	-69.4	71.4	0	0	0	116.2
92	G	23.5	Very low	37.4	Very low	69 Å²	69	118 Å²	118	71%	0.711	69%	0.692	S	S	*	*			trans	-161.9	131	163.2	0	0	0	0	0	110.3	G94	G92-G94 PolarHBondContact O-N 3.25Å
93	N	24.8	Very low	39.8	Very low	180 Å²	180	121.1 Å²	121.1	96%	0.963	69%	0.694	S	S	*	*	S	Bend	trans	-46.2	114.7	-171	-65.7	-27.2	0	0	0	115.6
94	G	27.3	Very low	42.6	Very low	78 Å²	78	114.3 Å²	114.3	80%	0.804	66%	0.658	S	S	*	*	S	Bend	trans	98.8	47.3	144.8	0	0	0	0	0	119.2	G92	G92-G94 PolarHBondContact O-N 3.25Å
95	E	26.9	Very low	45.7	Very low	201 Å²	201	112 Å²	112	94%	0.939	63%	0.634	S	S	*	*			trans	-140.8	164.5	163.9	-114.3	164.3	-173.4	0	0	112.3
96	A	31.6	Very low	48.6	Very low	69 Å²	69	110.4 Å²	110.4	57%	0.57	62%	0.62	S	S	*	*			trans	-81.2	146	-164.5	0	0	0	0	0	114.3	L159	A96-L159 HydrophobicContact CB-CD1 3.7Å
97	C	35.8	Very low	51.5	Low	89 Å²	89	102.9 Å²	102.9	60%	0.601	59%	0.592	S	S	*	*			trans	-79.5	127.9	-172.2	-167.2	0	0	0	0	112.5	G99 E100	C97-G99 VanDerWaalsContact C-N 3.34Å; C97-G99 PolarHBondContact O-N 2.85Å; C97-E100 WeakPolarHBondContact O-CB 3.42Å; C97-E100 PolarHBondContact O-N 2.92Å; C97-E100 VanDerWaalsContact O-N 3.08Å
98	P	49.7	Very low	54.8	Low	102 Å²	102	94.1 Å²	94.1	66%	0.662	55%	0.553	S	S	*	*	H	α-helix	trans	-63.3	-32.8	-169.8	22	-33.5	0	0	0	114.4	E100 A101 Q102	P98-E100 PolarHBondContact O-N 3.25Å; P98-A101 WeakPolarHBondContact O-CB 3.33Å; P98-A101 PolarHBondContact O-N 3.35Å; P98-A101 VanDerWaalsContact O-N 3.14Å; P98-Q102 PolarHBondContact O-N 2.95Å
99	G	59.7	Low	58	Low	41 Å²	41	93.3 Å²	93.3	42%	0.423	54%	0.544	S	S	.	.	H	α-helix	trans	-62.1	-27.6	176.6	0	0	0	0	0	113.9	C97 L103	C97-G99 VanDerWaalsContact C-N 3.34Å; C97-G99 PolarHBondContact O-N 2.85Å; G99-L103 WeakPolarHBondContact O-CG 3.46Å; G99-L103 PolarHBondContact O-N 2.88Å
100	E	71.7	Confident	61	Low	79 Å²	79	90.3 Å²	90.3	37%	0.369	53%	0.529	S	S	.	.	H	α-helix	trans	-67.4	-40	175.8	-158.4	-170.5	-156	0	0	110.9	C97 P98 L103 L104 K163	C97-E100 WeakPolarHBondContact O-CB 3.42Å; C97-E100 PolarHBondContact O-N 2.92Å; C97-E100 VanDerWaalsContact O-N 3.08Å; P98-E100 PolarHBondContact O-N 3.25Å; E100-L103 PolarHBondContact O-N 3.41Å; E100-L104 HydrophobicContact CG-CD1 3.86Å; E100-L104 HydrophobicContact CG-CG 4.49Å; E100-L104 WeakPolarHBondContact O-CB 3.28Å; E100-L104 WeakPolarHBondContact O-CD1 3.16Å; E100-L104 WeakPolarHBondContact O-CG 3.48Å; E100-L104 PolarHBondContact O-N 3.29Å; E100-K163 WeakPolarHBondContact OE1-CE 3.33Å; E100-K163 IonicContact OE1-NZ 3.83Å; E100-K163 PolarHBondContact OE1-NZ 3.05Å; E100-K163 WeakPolarHBondContact OE2-CE 3.42Å; E100-K163 IonicContact OE2-NZ 2.79Å; E100-K163 PolarHBondContact OE2-NZ 3.01Å
101	A	75.8	Confident	64.2	Low	13 Å²	13	87.6 Å²	87.6	11%	0.107	51%	0.506	C	S	.	.	H	α-helix	trans	-64.7	-42.8	177.6	0	0	0	0	0	111.9	P98 L103 L104 R105 L159	P98-A101 WeakPolarHBondContact O-CB 3.33Å; P98-A101 PolarHBondContact O-N 3.35Å; P98-A101 VanDerWaalsContact O-N 3.14Å; A101-L103 PolarHBondContact O-N 3.25Å; A101-L104 PolarHBondContact O-N 3.25Å; A101-R105 WeakPolarHBondContact O-CB 3.36Å; A101-R105 WeakPolarHBondContact O-CD 3.21Å; A101-R105 VanDerWaalsContact O-CG 3.24Å; A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 3.16Å; A101-L159 HydrophobicContact CB-CD1 4.42Å; A101-L159 HydrophobicContact CB-CD2 3.95Å; A101-L159 HydrophobicContact CB-CG 4.15Å
102	Q	77.1	Confident	67.3	Low	126 Å²	126	79.1 Å²	79.1	59%	0.589	46%	0.462	S	S	*	.	H	α-helix	trans	-59	-46.7	176.7	-128.2	75.2	-18.4	0	0	111.8	P98 R106	P98-Q102 PolarHBondContact O-N 2.95Å; Q102-R106 PolarHBondContact O-N 3Å; Q102-R106 VanDerWaalsContact O-N 3.1Å
103	L	79.1	Confident	70.5	Confident	128 Å²	128	76.7 Å²	76.7	67%	0.67	43%	0.434	S	S	*	.	H	α-helix	trans	-65.1	-43.8	178.8	-74.2	167.3	0	0	0	112.2	G99 E100 A101 R106 A107	G99-L103 WeakPolarHBondContact O-CG 3.46Å; G99-L103 PolarHBondContact O-N 2.88Å; E100-L103 PolarHBondContact O-N 3.41Å; A101-L103 PolarHBondContact O-N 3.25Å; L103-R106 PolarHBondContact O-N 2.82Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 2.86Å
104	L	88.3	Confident	73.7	Confident	25 Å²	25	71 Å²	71	13%	0.131	40%	0.403	C	S	.	.	H	α-helix	trans	-66.7	-39.5	179.4	-70.9	165.9	0	0	0	112	E100 A101 A107 V108 L159 L162 K163 L166	E100-L104 HydrophobicContact CG-CD1 3.86Å; E100-L104 HydrophobicContact CG-CG 4.49Å; E100-L104 WeakPolarHBondContact O-CB 3.28Å; E100-L104 WeakPolarHBondContact O-CD1 3.16Å; E100-L104 WeakPolarHBondContact O-CG 3.48Å; E100-L104 PolarHBondContact O-N 3.29Å; A101-L104 PolarHBondContact O-N 3.25Å; L104-A107 PolarHBondContact O-N 2.81Å; L104-V108 WeakPolarHBondContact O-CG2 3.39Å; L104-V108 PolarHBondContact O-N 3.34Å; L104-L159 HydrophobicContact CD1-CD2 3.47Å; L104-L159 VanDerWaalsContact CD1-CD2 3.47Å; L104-L162 HydrophobicContact CB-CB 4.04Å; L104-L162 HydrophobicContact CB-CD1 4.23Å; L104-K163 HydrophobicContact CD1-CD 4.33Å; L104-K163 HydrophobicContact CD1-CG 3.78Å; L104-K163 HydrophobicContact CD2-CG 4.08Å; L104-L166 HydrophobicContact CD2-CD1 3.55Å
105	R	94	Very high	76.7	Confident	74 Å²	74	67.8 Å²	67.8	28%	0.279	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-50.4	172.3	-75.2	162.3	170.5	162.4	-10.9	111.9	A101 A107 V108 Q109 P154 D155 L162	A101-R105 WeakPolarHBondContact O-CB 3.36Å; A101-R105 WeakPolarHBondContact O-CD 3.21Å; A101-R105 VanDerWaalsContact O-CG 3.24Å; A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 3.16Å; R105-A107 PolarHBondContact O-N 2.93Å; R105-V108 PolarHBondContact O-N 3.41Å; R105-Q109 WeakPolarHBondContact O-CB 3.1Å; R105-Q109 PolarHBondContact O-N 3.23Å; R105-P154 HydrophobicContact CB-CB 4.49Å; R105-D155 VanDerWaalsContact CD-OD1 3.3Å; R105-D155 WeakPolarHBondContact CD-OD1 3.29Å; R105-D155 IonicContact NE-OD1 2.71Å; R105-D155 PolarHBondContact NH2-O 3.34Å; R105-L162 HydrophobicContact CG-CD1 3.79Å
106	R	89.3	Confident	79.9	Confident	158 Å²	158	58.8 Å²	58.8	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-42.6	179.8	-146.6	168.3	-172.4	174	0.9	110.8	E81 Q102 L103 Q109 D110	E81-R106 IonicContact OE1-CZ 3.98Å; E81-R106 IonicContact OE1-NH2 2.61Å; E81-R106 PolarHBondContact OE1-NH2 3.17Å; Q102-R106 PolarHBondContact O-N 3Å; Q102-R106 VanDerWaalsContact O-N 3.1Å; L103-R106 PolarHBondContact O-N 2.82Å; R106-Q109 WeakPolarHBondContact O-CB 3.11Å; R106-Q109 PolarHBondContact O-N 2.92Å; R106-D110 PolarHBondContact O-N 3.35Å
107	A	91	Very high	82.6	Confident	40 Å²	40	57.4 Å²	57.4	33%	0.331	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-36.2	176.5	0	0	0	0	0	114.3	L103 L104 R105 H111 L166	L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 2.86Å; L104-A107 PolarHBondContact O-N 2.81Å; R105-A107 PolarHBondContact O-N 2.93Å; A107-H111 WeakPolarHBondContact O-CB 3.49Å; A107-H111 PolarHBondContact O-N 2.92Å; A107-L166 HydrophobicContact CB-CD1 3.88Å; A107-L166 HydrophobicContact CB-CD2 4.13Å
108	V	94.7	Very high	85	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-71.7	-40.7	174.1	172.4	0	0	0	0	111.1	L104 R105 D110 H111 F112 P154 L162 I165 L166	L104-V108 WeakPolarHBondContact O-CG2 3.39Å; L104-V108 PolarHBondContact O-N 3.34Å; R105-V108 PolarHBondContact O-N 3.41Å; V108-D110 PolarHBondContact O-N 3.38Å; V108-H111 PolarHBondContact O-N 3.06Å; V108-F112 HydrophobicContact CG1-CD1 4.13Å; V108-F112 HydrophobicContact CG1-CD2 4.19Å; V108-F112 HydrophobicContact CG1-CE1 3.87Å; V108-F112 HydrophobicContact CG1-CE2 3.95Å; V108-F112 HydrophobicContact CG1-CG 4.3Å; V108-F112 HydrophobicContact CG1-CZ 3.78Å; V108-F112 PolarHBondContact O-N 2.73Å; V108-P154 HydrophobicContact CB-CB 4.32Å; V108-P154 HydrophobicContact CB-CG 4.41Å; V108-P154 HydrophobicContact CG1-CB 4.16Å; V108-P154 HydrophobicContact CG1-CG 3.93Å; V108-L162 HydrophobicContact CB-CD2 4.04Å; V108-L162 HydrophobicContact CG1-CD2 4.32Å; V108-L162 HydrophobicContact CG2-CB 4.48Å; V108-L162 HydrophobicContact CG2-CD2 3.74Å; V108-I165 HydrophobicContact CB-CG2 4.45Å; V108-I165 HydrophobicContact CG1-CG2 3.87Å; V108-I165 HydrophobicContact CG2-CB 4.31Å; V108-I165 HydrophobicContact CG2-CG2 3.75Å; V108-L166 HydrophobicContact CG2-CD1 4.04Å; V108-L166 HydrophobicContact CG2-CD2 3.84Å; V108-L166 HydrophobicContact CG2-CG 3.69Å
109	Q	93.8	Very high	86.9	Confident	47 Å²	47	54.8 Å²	54.8	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-56.2	-49.9	174.6	-174.8	77	-34.1	0	0	111.3	R105 R106 H111 F112 C113 Y130 H153 P154	R105-Q109 WeakPolarHBondContact O-CB 3.1Å; R105-Q109 PolarHBondContact O-N 3.23Å; R106-Q109 WeakPolarHBondContact O-CB 3.11Å; R106-Q109 PolarHBondContact O-N 2.92Å; Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 3.23Å; Q109-F112 PolarHBondContact O-N 3.42Å; Q109-C113 WeakPolarHBondContact O-CB 3.24Å; Q109-C113 PolarHBondContact O-N 3.42Å; Q109-C113 PolarHBondContact O-SG 3.04Å; Q109-Y130 PolarHBondContact OE1-OH 3.37Å; Q109-H153 PolarHBondContact NE2-NE2 3.45Å; Q109-P154 HydrophobicContact CB-CG 4.25Å
110	D	91.2	Very high	88.2	Confident	100 Å²	100	55.6 Å²	55.6	54%	0.535	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-39.8	177.9	-72.3	-23	0	0	0	112.3	R106 V108 L114	R106-D110 PolarHBondContact O-N 3.35Å; V108-D110 PolarHBondContact O-N 3.38Å; D110-L114 WeakPolarHBondContact O-CB 3.34Å; D110-L114 PolarHBondContact O-N 3.4Å
111	H	93.2	Very high	88.7	Confident	42 Å²	42	54.3 Å²	54.3	19%	0.194	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-41.4	177.6	-177.8	56	0	0	0	112.6	A107 V108 Q109 L114 C115 K169	A107-H111 WeakPolarHBondContact O-CB 3.49Å; A107-H111 PolarHBondContact O-N 2.92Å; V108-H111 PolarHBondContact O-N 3.06Å; Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 3.23Å; H111-L114 WeakPolarHBondContact O-CB 3.36Å; H111-L114 PolarHBondContact O-N 3.15Å; H111-C115 PolarHBondContact NE2-SG 2.87Å; H111-C115 PolarHBondContact O-N 2.94Å; H111-C115 PolarHBondContact O-SG 3.43Å; H111-K169 PolarHBondContact NE2-O 3.16Å
112	F	94.6	Very high	88.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-41.7	175.6	-75.9	6.8	0	0	0	111.4	V108 Q109 L114 C115 Y116 V128 Y130 L145 F151 Y157 I165 I172 F174	V108-F112 HydrophobicContact CG1-CD1 4.13Å; V108-F112 HydrophobicContact CG1-CD2 4.19Å; V108-F112 HydrophobicContact CG1-CE1 3.87Å; V108-F112 HydrophobicContact CG1-CE2 3.95Å; V108-F112 HydrophobicContact CG1-CG 4.3Å; V108-F112 HydrophobicContact CG1-CZ 3.78Å; V108-F112 PolarHBondContact O-N 2.73Å; Q109-F112 PolarHBondContact O-N 3.42Å; F112-L114 VanDerWaalsContact C-N 3.34Å; F112-L114 PolarHBondContact O-N 3.04Å; F112-C115 PolarHBondContact O-N 3.27Å; F112-Y116 WeakPolarHBondContact O-CB 3.17Å; F112-Y116 PolarHBondContact O-N 3.09Å; F112-V128 HydrophobicContact CB-CG2 4.14Å; F112-Y130 HydrophobicContact CD2-CE1 4.17Å; F112-Y130 WeakPolarHBondContact CD2-OH 3.31Å; F112-L145 HydrophobicContact CZ-CD2 4.27Å; F112-F151 AromaticContact CD2-CE2 3.86Å; F112-F151 HydrophobicContact CD2-CE2 3.86Å; F112-F151 HydrophobicContact CE2-CD2 4.29Å; F112-F151 AromaticContact CE2-CE2 3.75Å; F112-F151 HydrophobicContact CE2-CE2 3.75Å; F112-Y157 HydrophobicContact CE2-CE2 4.13Å; F112-Y157 HydrophobicContact CZ-CE2 4.26Å; F112-I165 HydrophobicContact CE1-CG2 3.94Å; F112-I165 HydrophobicContact CZ-CD1 4.3Å; F112-I165 HydrophobicContact CZ-CG2 4.31Å; F112-I172 HydrophobicContact CE1-CD1 4.47Å; F112-I172 HydrophobicContact CE1-CG2 4.25Å; F112-F174 HydrophobicContact CB-CE2 4.45Å; F112-F174 HydrophobicContact CB-CZ 4.04Å; F112-F174 HydrophobicContact CD1-CE2 4.3Å; F112-F174 HydrophobicContact CD1-CZ 4.46Å; F112-F174 HydrophobicContact CD2-CZ 4.41Å; F112-F174 HydrophobicContact CG-CE2 4.35Å; F112-F174 HydrophobicContact CG-CZ 4.08Å
113	C	91.9	Very high	88.4	Confident	18 Å²	18	53.5 Å²	53.5	12%	0.122	28%	0.284	C	S	.	.	H	α-helix	trans	-57.5	-43.7	171	-72.2	0	0	0	0	112	Q109 C115 Y116 R117	Q109-C113 WeakPolarHBondContact O-CB 3.24Å; Q109-C113 PolarHBondContact O-N 3.42Å; Q109-C113 PolarHBondContact O-SG 3.04Å; C113-C115 PolarHBondContact O-N 2.84Å; C113-Y116 PolarHBondContact O-N 2.93Å; C113-R117 WeakPolarHBondContact O-CB 3.26Å; C113-R117 PolarHBondContact O-N 3.14Å
114	L	90.4	Very high	88.1	Confident	60 Å²	60	49.6 Å²	49.6	31%	0.314	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-41.2	176.6	-175.7	68	0	0	0	112.6	D110 H111 F112 K118	D110-L114 WeakPolarHBondContact O-CB 3.34Å; D110-L114 PolarHBondContact O-N 3.4Å; H111-L114 WeakPolarHBondContact O-CB 3.36Å; H111-L114 PolarHBondContact O-N 3.15Å; F112-L114 VanDerWaalsContact C-N 3.34Å; F112-L114 PolarHBondContact O-N 3.04Å; L114-K118 WeakPolarHBondContact O-CG 3.47Å; L114-K118 PolarHBondContact O-N 3.48Å; L114-K118 VanDerWaalsContact O-N 3.12Å
115	C	92	Very high	87.1	Confident	12 Å²	12	55.4 Å²	55.4	8%	0.081	30%	0.299	C	S	.	.	H	α-helix	trans	-72.4	-38.4	179	-72.2	0	0	0	0	112.6	H111 F112 C113 K118 A119 F174	H111-C115 PolarHBondContact NE2-SG 2.87Å; H111-C115 PolarHBondContact O-N 2.94Å; H111-C115 PolarHBondContact O-SG 3.43Å; F112-C115 PolarHBondContact O-N 3.27Å; C113-C115 PolarHBondContact O-N 2.84Å; C115-K118 PolarHBondContact O-N 3.38Å; C115-A119 PolarHBondContact O-N 2.64Å; C115-F174 HydrophobicContact CB-CD2 3.56Å; C115-F174 HydrophobicContact CB-CE2 3.91Å; C115-F174 HydrophobicContact CB-CG 4.39Å
116	Y	92.7	Very high	86.4	Confident	12 Å²	12	53.8 Å²	53.8	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-66.6	-43.8	174.6	-176.3	-121.8	0	0	0	112.1	F112 C113 K118 A119 L120 V126 V128 P129 V140 F174 V176	F112-Y116 WeakPolarHBondContact O-CB 3.17Å; F112-Y116 PolarHBondContact O-N 3.09Å; C113-Y116 PolarHBondContact O-N 2.93Å; Y116-K118 VanDerWaalsContact C-N 3.34Å; Y116-K118 PolarHBondContact O-N 3.45Å; Y116-A119 CarbonylContact O-C 3.45Å; Y116-A119 WeakPolarHBondContact O-CA 3.4Å; Y116-A119 WeakPolarHBondContact O-CB 3.42Å; Y116-A119 PolarHBondContact O-N 3.26Å; Y116-L120 HydrophobicContact CD1-CD1 3.97Å; Y116-L120 HydrophobicContact CE1-CD1 3.56Å; Y116-L120 HydrophobicContact CE1-CG 4.43Å; Y116-L120 HydrophobicContact CE2-CD1 4.29Å; Y116-L120 HydrophobicContact CE2-CG 4.31Å; Y116-L120 HydrophobicContact CG-CD1 4.49Å; Y116-L120 PolarHBondContact O-N 2.91Å; Y116-V126 HydrophobicContact CD1-CG1 4.22Å; Y116-V126 HydrophobicContact CE1-CG1 3.84Å; Y116-V128 HydrophobicContact CD1-CG2 4.29Å; Y116-V128 HydrophobicContact CG-CG2 4.26Å; Y116-P129 HydrophobicContact CE1-CG 4.16Å; Y116-P129 VanDerWaalsContact CZ-CD 3.47Å; Y116-P129 WeakPolarHBondContact OH-CG 3.39Å; Y116-V140 HydrophobicContact CD2-CG1 4.43Å; Y116-V140 HydrophobicContact CE2-CG1 4.32Å; Y116-V140 HydrophobicContact CE2-CG2 4.34Å; Y116-F174 AromaticContact CD2-CD1 3.95Å; Y116-F174 HydrophobicContact CD2-CD1 3.95Å; Y116-F174 HydrophobicContact CD2-CE1 4.49Å; Y116-F174 HydrophobicContact CG-CD1 4.42Å; Y116-V176 HydrophobicContact CE2-CG2 4.14Å
117	R	89.3	Confident	86.3	Confident	39 Å²	39	51 Å²	51	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-52.9	-47.5	171	179.9	-169.3	-154.2	171.3	7.5	112.4	C113 A119 L120 G121 T122 T123 A124	C113-R117 WeakPolarHBondContact O-CB 3.26Å; C113-R117 PolarHBondContact O-N 3.14Å; R117-A119 VanDerWaalsContact C-N 3.32Å; R117-A119 PolarHBondContact O-N 3.3Å; R117-L120 PolarHBondContact O-N 3.3Å; R117-G121 PolarHBondContact O-N 3.25Å; R117-T122 HydrophobicContact CG-CG2 4.19Å; R117-T122 WeakPolarHBondContact CG-O 3.45Å; R117-T123 PolarHBondContact NH2-O 3.39Å; R117-A124 WeakPolarHBondContact CG-O 3.43Å; R117-A124 PolarHBondContact NE-O 3.5Å
118	K	86.7	Confident	86.4	Confident	108 Å²	108	49.7 Å²	49.7	47%	0.47	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-34.7	175.3	-81.1	-177	163.8	-170.3	0	113.1	L114 C115 Y116 L120 G121	L114-K118 WeakPolarHBondContact O-CG 3.47Å; L114-K118 PolarHBondContact O-N 3.48Å; L114-K118 VanDerWaalsContact O-N 3.12Å; C115-K118 PolarHBondContact O-N 3.38Å; Y116-K118 VanDerWaalsContact C-N 3.34Å; Y116-K118 PolarHBondContact O-N 3.45Å; K118-L120 VanDerWaalsContact C-N 3.29Å; K118-G121 PolarHBondContact O-N 3.21Å
119	A	88.9	Confident	86.2	Confident	29 Å²	29	51 Å²	51	24%	0.24	30%	0.295	C	S	.	.	H	α-helix	trans	-73.9	-18.9	176.2	0	0	0	0	0	113.8	C115 Y116 R117 F174 V176	C115-A119 PolarHBondContact O-N 2.64Å; Y116-A119 CarbonylContact O-C 3.45Å; Y116-A119 WeakPolarHBondContact O-CA 3.4Å; Y116-A119 WeakPolarHBondContact O-CB 3.42Å; Y116-A119 PolarHBondContact O-N 3.26Å; R117-A119 VanDerWaalsContact C-N 3.32Å; R117-A119 PolarHBondContact O-N 3.3Å; A119-F174 HydrophobicContact CB-CB 3.69Å; A119-F174 VanDerWaalsContact CB-O 3.23Å; A119-F174 WeakPolarHBondContact CB-O 3.31Å; A119-V176 HydrophobicContact CB-CG2 3.96Å
120	L	86.2	Confident	86.2	Confident	57 Å²	57	49.6 Å²	49.6	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-91.2	-16.3	174.4	-73.9	172.4	0	0	0	114.1	Y116 R117 K118 T122 V126 V176	Y116-L120 HydrophobicContact CD1-CD1 3.97Å; Y116-L120 HydrophobicContact CE1-CD1 3.56Å; Y116-L120 HydrophobicContact CE1-CG 4.43Å; Y116-L120 HydrophobicContact CE2-CD1 4.29Å; Y116-L120 HydrophobicContact CE2-CG 4.31Å; Y116-L120 HydrophobicContact CG-CD1 4.49Å; Y116-L120 PolarHBondContact O-N 2.91Å; R117-L120 PolarHBondContact O-N 3.3Å; K118-L120 VanDerWaalsContact C-N 3.29Å; L120-T122 HydrophobicContact CB-CG2 3.81Å; L120-T122 HydrophobicContact CD1-CG2 4.37Å; L120-V126 HydrophobicContact CD1-CB 4.23Å; L120-V126 HydrophobicContact CD1-CG1 3.9Å; L120-V126 HydrophobicContact CD1-CG2 4.34Å; L120-V176 HydrophobicContact CD2-CG2 4.05Å; L120-V176 HydrophobicContact CG-CG2 4.39Å
121	G	82.7	Confident	85.9	Confident	53 Å²	53	52.1 Å²	52.1	55%	0.546	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	47.9	-174.7	0	0	0	0	0	112.6	R117 K118 T936	R117-G121 PolarHBondContact O-N 3.25Å; K118-G121 PolarHBondContact O-N 3.21Å; G121-T936 CarbonylContact C-O 3.57Å
122	T	77	Confident	85.5	Confident	43 Å²	43	54 Å²	54	26%	0.264	31%	0.306	S	S	.	.			trans	-132.1	140.3	-175.7	-175.2	0	0	0	0	113.2	R117 L120 A124 V126	R117-T122 HydrophobicContact CG-CG2 4.19Å; R117-T122 WeakPolarHBondContact CG-O 3.45Å; L120-T122 HydrophobicContact CB-CG2 3.81Å; L120-T122 HydrophobicContact CD1-CG2 4.37Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact OG1-N 2.98Å; T122-V126 HydrophobicContact CG2-CG2 3.75Å
123	T	70.4	Confident	85.3	Confident	78 Å²	78	54.2 Å²	54.2	48%	0.479	31%	0.307	S	S	.	.	S	Bend	trans	-84.4	-9.5	177.3	67.4	0	0	0	0	112.5	R117 V934 A935	R117-T123 PolarHBondContact NH2-O 3.39Å; T123-V934 VanDerWaalsContact CB-O 3.27Å; T123-V934 WeakPolarHBondContact CB-O 3.26Å; T123-V934 VanDerWaalsContact CG2-O 3.31Å; T123-V934 WeakPolarHBondContact CG2-O 3.32Å; T123-A935 VanDerWaalsContact CG2-C 3.48Å
124	A	71.4	Confident	85	Confident	47 Å²	47	57.7 Å²	57.7	39%	0.388	32%	0.324	S	S	.	.	S	Bend	trans	-73	156.1	174.8	0	0	0	0	0	112.2	R117 T122 V126	R117-A124 WeakPolarHBondContact CG-O 3.43Å; R117-A124 PolarHBondContact NE-O 3.5Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact OG1-N 2.98Å; A124-V126 HydrophobicContact CB-CG2 4.29Å
125	M	68.7	Low	84.6	Confident	146 Å²	146	63 Å²	63	72%	0.719	35%	0.347	S	S	*	.			trans	-73.5	123.4	161	-84	-80	-78.5	0	0	108.1
126	V	79.4	Confident	84.3	Confident	41 Å²	41	64.4 Å²	64.4	25%	0.248	35%	0.354	C	S	.	.			trans	-127.8	117.9	177.8	-173	0	0	0	0	108.6	Y116 L120 T122 A124	Y116-V126 HydrophobicContact CD1-CG1 4.22Å; Y116-V126 HydrophobicContact CE1-CG1 3.84Å; L120-V126 HydrophobicContact CD1-CB 4.23Å; L120-V126 HydrophobicContact CD1-CG1 3.9Å; L120-V126 HydrophobicContact CD1-CG2 4.34Å; T122-V126 HydrophobicContact CG2-CG2 3.75Å; A124-V126 HydrophobicContact CB-CG2 4.29Å
127	P	87.2	Confident	83.8	Confident	100 Å²	100	70.6 Å²	70.6	65%	0.649	38%	0.383	S	S	*	.			trans	-68.7	152.2	175.4	29.9	-34.4	0	0	0	110.8	P129	P127-P129 WeakPolarHBondContact O-CD 3.48Å
128	V	91.9	Very high	83.4	Confident	11 Å²	11	71.6 Å²	71.6	7%	0.067	40%	0.399	C	S	.	.			trans	-77.2	124.2	-179.7	-175.2	0	0	0	0	110.3	F112 Y116 Y130 M133 F151 F174	F112-V128 HydrophobicContact CB-CG2 4.14Å; Y116-V128 HydrophobicContact CD1-CG2 4.29Å; Y116-V128 HydrophobicContact CG-CG2 4.26Å; V128-Y130 VanDerWaalsContact C-N 3.27Å; V128-Y130 HydrophobicContact CB-CD2 4.14Å; V128-Y130 HydrophobicContact CB-CE1 4.42Å; V128-Y130 HydrophobicContact CB-CE2 3.72Å; V128-Y130 HydrophobicContact CG1-CD1 4.25Å; V128-Y130 HydrophobicContact CG1-CD2 4.31Å; V128-Y130 HydrophobicContact CG1-CE1 4.07Å; V128-Y130 HydrophobicContact CG1-CE2 4.17Å; V128-Y130 HydrophobicContact CG1-CG 4.37Å; V128-Y130 WeakPolarHBondContact O-CD2 3.48Å; V128-Y130 PolarHBondContact O-N 3.17Å; V128-M133 HydrophobicContact CG1-SD 3.64Å; V128-F151 HydrophobicContact CG1-CZ 4Å; V128-F174 HydrophobicContact CG1-CE1 4.06Å
129	P	91.3	Very high	83.3	Confident	27 Å²	27	66.5 Å²	66.5	18%	0.175	38%	0.378	C	S	.	.			trans	-84.5	69.7	-178.5	35.2	-36.1	0	0	0	110.7	Y116 P127 E131 Q132 M133 F180	Y116-P129 HydrophobicContact CE1-CG 4.16Å; Y116-P129 VanDerWaalsContact CZ-CD 3.47Å; Y116-P129 WeakPolarHBondContact OH-CG 3.39Å; P127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-E131 VanDerWaalsContact C-N 3.29Å; P129-E131 PolarHBondContact O-N 3.36Å; P129-Q132 HydrophobicContact CB-CB 4.16Å; P129-Q132 HydrophobicContact CB-CG 4.26Å; P129-Q132 PolarHBondContact O-N 3.2Å; P129-M133 HydrophobicContact CG-CG 4.42Å; P129-M133 PolarHBondContact O-N 3.07Å; P129-F180 HydrophobicContact CG-CD2 3.91Å; P129-F180 HydrophobicContact CG-CE2 4.33Å
130	Y	92.4	Very high	83.3	Confident	18 Å²	18	65.3 Å²	65.3	7%	0.071	37%	0.368	C	S	.	.	H	α-helix	trans	-49.4	-45.5	-174.6	-68.5	-82.7	0	0	0	113.5	Q109 F112 V128 Q132 M133 L134 F151 Q152 H153 P154	Q109-Y130 PolarHBondContact OE1-OH 3.37Å; F112-Y130 HydrophobicContact CD2-CE1 4.17Å; F112-Y130 WeakPolarHBondContact CD2-OH 3.31Å; V128-Y130 VanDerWaalsContact C-N 3.27Å; V128-Y130 HydrophobicContact CB-CD2 4.14Å; V128-Y130 HydrophobicContact CB-CE1 4.42Å; V128-Y130 HydrophobicContact CB-CE2 3.72Å; V128-Y130 HydrophobicContact CG1-CD1 4.25Å; V128-Y130 HydrophobicContact CG1-CD2 4.31Å; V128-Y130 HydrophobicContact CG1-CE1 4.07Å; V128-Y130 HydrophobicContact CG1-CE2 4.17Å; V128-Y130 HydrophobicContact CG1-CG 4.37Å; V128-Y130 WeakPolarHBondContact O-CD2 3.48Å; V128-Y130 PolarHBondContact O-N 3.17Å; Y130-Q132 VanDerWaalsContact C-N 3.31Å; Y130-Q132 PolarHBondContact O-N 2.67Å; Y130-M133 PolarHBondContact O-N 2.76Å; Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 VanDerWaalsContact O-CG 3.25Å; Y130-L134 WeakPolarHBondContact O-CG 3.5Å; Y130-L134 PolarHBondContact O-N 3.44Å; Y130-F151 AromaticContact CD1-CE1 3.65Å; Y130-F151 HydrophobicContact CD1-CE1 3.65Å; Y130-F151 HydrophobicContact CD1-CE2 4.41Å; Y130-F151 AromaticContact CD1-CZ 3.47Å; Y130-F151 HydrophobicContact CD1-CZ 3.47Å; Y130-F151 VanDerWaalsContact CD1-CZ 3.47Å; Y130-F151 HydrophobicContact CE1-CE1 4.07Å; Y130-F151 HydrophobicContact CE1-CE2 4.01Å; Y130-F151 AromaticContact CE1-CZ 3.39Å; Y130-F151 HydrophobicContact CE1-CZ 3.39Å; Y130-Q152 WeakPolarHBondContact CE1-O 3.3Å; Y130-H153 HydrophobicContact CD1-CB 4.3Å; Y130-H153 AromaticContact CD2-CD2 3.49Å; Y130-H153 VanDerWaalsContact CD2-CD2 3.49Å; Y130-H153 WeakPolarHBondContact CD2-CD2 3.33Å; Y130-H153 AromaticContact CE2-CD2 3.57Å; Y130-H153 HydrophobicContact CG-CB 4.36Å; Y130-H153 AromaticContact CG-CD2 3.99Å; Y130-P154 WeakPolarHBondContact OH-CD 3.27Å
131	E	85.9	Confident	83.4	Confident	153 Å²	153	64.5 Å²	64.5	72%	0.715	37%	0.365	S	S	*	.	H	α-helix	trans	-63.2	-35.8	-178.7	-60	168.1	142.6	0	0	112.5	P129 Q135	P129-E131 VanDerWaalsContact C-N 3.29Å; P129-E131 PolarHBondContact O-N 3.36Å; E131-Q135 VanDerWaalsContact O-CG 3.29Å; E131-Q135 WeakPolarHBondContact O-CG 3.41Å; E131-Q135 PolarHBondContact O-N 2.98Å
132	Q	85.8	Confident	83.8	Confident	82 Å²	82	63.5 Å²	63.5	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-78.7	-38.7	179.9	-58.8	171	-0.4	0	0	110.5	P129 Y130 L134 Q135 D136 F180	P129-Q132 HydrophobicContact CB-CB 4.16Å; P129-Q132 HydrophobicContact CB-CG 4.26Å; P129-Q132 PolarHBondContact O-N 3.2Å; Y130-Q132 VanDerWaalsContact C-N 3.31Å; Y130-Q132 PolarHBondContact O-N 2.67Å; Q132-L134 VanDerWaalsContact C-N 3.32Å; Q132-L134 PolarHBondContact O-N 2.7Å; Q132-Q135 PolarHBondContact O-N 3.44Å; Q132-Q135 VanDerWaalsContact O-N 3.16Å; Q132-D136 PolarHBondContact O-N 3.21Å; Q132-F180 VanDerWaalsContact C-CZ 3.44Å; Q132-F180 HydrophobicContact CB-CD1 3.86Å; Q132-F180 HydrophobicContact CB-CD2 4.04Å; Q132-F180 HydrophobicContact CB-CE1 3.83Å; Q132-F180 HydrophobicContact CB-CE2 4Å; Q132-F180 HydrophobicContact CB-CG 3.97Å; Q132-F180 HydrophobicContact CB-CZ 3.9Å; Q132-F180 VanDerWaalsContact O-CZ 3.29Å; Q132-F180 WeakPolarHBondContact O-CZ 3.17Å
133	M	88.6	Confident	84.4	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.025	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-34.4	172.8	-70.9	-177.3	59.7	0	0	112.9	V128 P129 Y130 Q135 D136 E137 V140 V142 F151 F174 F180	V128-M133 HydrophobicContact CG1-SD 3.64Å; P129-M133 HydrophobicContact CG-CG 4.42Å; P129-M133 PolarHBondContact O-N 3.07Å; Y130-M133 PolarHBondContact O-N 2.76Å; M133-Q135 VanDerWaalsContact C-N 3.3Å; M133-D136 CarbonylContact O-C 3.6Å; M133-E137 PolarHBondContact O-N 3.2Å; M133-V140 HydrophobicContact CE-CB 3.94Å; M133-V140 HydrophobicContact CE-CG1 3.68Å; M133-V140 HydrophobicContact CG-CB 4.16Å; M133-V140 HydrophobicContact CG-CG2 4.39Å; M133-V140 HydrophobicContact SD-CB 4.3Å; M133-V140 HydrophobicContact SD-CG1 4.15Å; M133-V142 HydrophobicContact CE-CG2 3.55Å; M133-F151 HydrophobicContact CB-CD1 4.47Å; M133-F151 HydrophobicContact CB-CE1 4.06Å; M133-F151 HydrophobicContact CE-CD1 3.91Å; M133-F151 HydrophobicContact CE-CE1 3.44Å; M133-F151 VanDerWaalsContact CE-CE1 3.44Å; M133-F151 HydrophobicContact CE-CE2 4.46Å; M133-F151 HydrophobicContact CE-CZ 3.75Å; M133-F151 HydrophobicContact SD-CE1 3.87Å; M133-F151 HydrophobicContact SD-CZ 4.12Å; M133-F174 HydrophobicContact CE-CD1 4Å; M133-F174 HydrophobicContact CE-CE1 3.76Å; M133-F174 HydrophobicContact SD-CE1 4.15Å; M133-F180 HydrophobicContact CG-CE2 3.77Å; M133-F180 HydrophobicContact CG-CZ 4.35Å
134	L	85.7	Confident	85.1	Confident	91 Å²	91	67 Å²	67	48%	0.476	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.7	174.6	-72.9	166.8	0	0	0	113.4	Y130 Q132 F151	Y130-L134 WeakPolarHBondContact O-CB 3.39Å; Y130-L134 VanDerWaalsContact O-CG 3.25Å; Y130-L134 WeakPolarHBondContact O-CG 3.5Å; Y130-L134 PolarHBondContact O-N 3.44Å; Q132-L134 VanDerWaalsContact C-N 3.32Å; Q132-L134 PolarHBondContact O-N 2.7Å; L134-F151 WeakPolarHBondContact CD2-O 3.43Å
135	Q	83.4	Confident	85.9	Confident	170 Å²	170	66.3 Å²	66.3	79%	0.794	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-31.5	175.3	-74	175.5	17.3	0	0	113.1	E131 Q132 M133	E131-Q135 VanDerWaalsContact O-CG 3.29Å; E131-Q135 WeakPolarHBondContact O-CG 3.41Å; E131-Q135 PolarHBondContact O-N 2.98Å; Q132-Q135 PolarHBondContact O-N 3.44Å; Q132-Q135 VanDerWaalsContact O-N 3.16Å; M133-Q135 VanDerWaalsContact C-N 3.3Å
136	D	85.1	Confident	86.6	Confident	43 Å²	43	61.1 Å²	61.1	23%	0.23	32%	0.324	C	S	.	.			trans	-133.7	80.4	172.7	-170.5	-11.1	0	0	0	111	Q132 M133 A138 A139 R178 F180	Q132-D136 PolarHBondContact O-N 3.21Å; M133-D136 CarbonylContact O-C 3.6Å; D136-A138 PolarHBondContact O-N 3.26Å; D136-A138 VanDerWaalsContact O-N 3.08Å; D136-A138 WeakPolarHBondContact OD1-CA 3.36Å; D136-A138 WeakPolarHBondContact OD1-CB 3.35Å; D136-A138 PolarHBondContact OD1-N 3.1Å; D136-A139 HydrophobicContact CB-CB 4.04Å; D136-A139 WeakPolarHBondContact O-CB 3.34Å; D136-A139 PolarHBondContact O-N 3.31Å; D136-A139 PolarHBondContact OD1-N 2.91Å; D136-A139 VanDerWaalsContact OD1-N 3.08Å; D136-R178 IonicContact OD2-CZ 3.53Å; D136-R178 IonicContact OD2-NH1 3.03Å; D136-R178 PolarHBondContact OD2-NH1 3.49Å; D136-R178 IonicContact OD2-NH2 3.23Å; D136-F180 HydrophobicContact CB-CE1 4.27Å
137	E	81	Confident	86.5	Confident	142 Å²	142	68.9 Å²	68.9	66%	0.664	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.3	174	-62.7	-171.2	146.6	0	0	112.9	M133	M133-E137 PolarHBondContact O-N 3.2Å
138	A	82.4	Confident	86.1	Confident	59 Å²	59	68.4 Å²	68.4	49%	0.488	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-15	176.5	0	0	0	0	0	113	D136 K177	D136-A138 PolarHBondContact O-N 3.26Å; D136-A138 VanDerWaalsContact O-N 3.08Å; D136-A138 WeakPolarHBondContact OD1-CA 3.36Å; D136-A138 WeakPolarHBondContact OD1-CB 3.35Å; D136-A138 PolarHBondContact OD1-N 3.1Å; A138-K177 WeakPolarHBondContact O-CD 3.28Å
139	A	84.8	Confident	85.8	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.008	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-37.2	176.6	0	0	0	0	0	113	D136 K177 R178 F180	D136-A139 HydrophobicContact CB-CB 4.04Å; D136-A139 WeakPolarHBondContact O-CB 3.34Å; D136-A139 PolarHBondContact O-N 3.31Å; D136-A139 PolarHBondContact OD1-N 2.91Å; D136-A139 VanDerWaalsContact OD1-N 3.08Å; A139-K177 WeakPolarHBondContact O-CA 3.46Å; A139-K177 PolarHBondContact O-N 3.21Å; A139-R178 HydrophobicContact CB-CB 4.26Å; A139-R178 PolarHBondContact O-N 3.08Å; A139-F180 HydrophobicContact CB-CE1 3.81Å; A139-F180 HydrophobicContact CB-CE2 4.33Å; A139-F180 HydrophobicContact CB-CZ 3.59Å
140	V	87.3	Confident	85.5	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.03	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	108.9	179.6	-174.6	0	0	0	0	110.5	Y116 M133 F174 V176 F180	Y116-V140 HydrophobicContact CD2-CG1 4.43Å; Y116-V140 HydrophobicContact CE2-CG1 4.32Å; Y116-V140 HydrophobicContact CE2-CG2 4.34Å; M133-V140 HydrophobicContact CE-CB 3.94Å; M133-V140 HydrophobicContact CE-CG1 3.68Å; M133-V140 HydrophobicContact CG-CB 4.16Å; M133-V140 HydrophobicContact CG-CG2 4.39Å; M133-V140 HydrophobicContact SD-CB 4.3Å; M133-V140 HydrophobicContact SD-CG1 4.15Å; V140-F174 HydrophobicContact CG1-CD1 4.1Å; V140-V176 HydrophobicContact CG1-CG2 4.22Å; V140-V176 HydrophobicContact CG2-CG1 4.44Å; V140-V176 HydrophobicContact CG2-CG2 4.15Å; V140-F180 HydrophobicContact CG2-CD2 4.32Å; V140-F180 HydrophobicContact CG2-CE2 3.66Å; V140-F180 HydrophobicContact CG2-CZ 4.39Å
141	V	88.8	Confident	85.5	Confident	40 Å²	40	72 Å²	72	24%	0.242	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.5	-178.3	-178.8	0	0	0	0	110.3	R143 F174 A175 K177	V141-R143 HydrophobicContact CG1-CG 4.42Å; V141-F174 CarbonylContact O-C 3.51Å; V141-A175 HydrophobicContact CB-CB 4.49Å; V141-A175 PolarHBondContact N-O 2.89Å; V141-A175 PolarHBondContact O-N 3.1Å; V141-K177 HydrophobicContact CG2-CD 4.07Å
142	V	91.1	Very high	85.7	Confident	31 Å²	31	68 Å²	68	19%	0.188	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143	171.5	-174.6	0	0	0	0	109.9	M133 L145 F151 F174	M133-V142 HydrophobicContact CE-CG2 3.55Å; V142-L145 HydrophobicContact CG1-CD1 3.99Å; V142-L145 HydrophobicContact CG1-CG 4.16Å; V142-F151 HydrophobicContact CB-CD2 4.38Å; V142-F151 HydrophobicContact CG1-CD2 4.23Å; V142-F151 HydrophobicContact CG2-CD2 3.83Å; V142-F151 HydrophobicContact CG2-CE2 4.13Å; V142-F151 HydrophobicContact CG2-CG 4.03Å; V142-F174 HydrophobicContact CG1-CD2 4.35Å; V142-F174 HydrophobicContact CG1-CE2 4.17Å; V142-F174 HydrophobicContact CG2-CD1 3.96Å; V142-F174 HydrophobicContact CG2-CD2 4.43Å; V142-F174 HydrophobicContact CG2-CE1 3.91Å; V142-F174 HydrophobicContact CG2-CE2 4.37Å; V142-F174 HydrophobicContact CG2-CG 4.24Å; V142-F174 HydrophobicContact CG2-CZ 4.12Å
143	R	90.7	Very high	86.1	Confident	162 Å²	162	67.9 Å²	67.9	61%	0.611	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.2	178.5	-64.6	179.5	174	-177.2	-3	110.2	V141 I172 S173	V141-R143 HydrophobicContact CG1-CG 4.42Å; R143-I172 WeakPolarHBondContact O-CA 3.19Å; R143-S173 PolarHBondContact N-O 3.24Å; R143-S173 PolarHBondContact O-N 2.99Å
144	G	85.1	Confident	86.3	Confident	33 Å²	33	67.7 Å²	67.7	34%	0.34	38%	0.376	S	S	.	.	S	Bend	trans	87.2	5.8	175.6	0	0	0	0	0	115.6	W164 I172	G144-W164 WeakPolarHBondContact O-CZ3 3.44Å; G144-I172 WeakPolarHBondContact O-CG1 3.43Å
145	L	88.1	Confident	86.5	Confident	33 Å²	33	66.9 Å²	66.9	17%	0.173	37%	0.372	C	S	.	.	S	Bend	trans	-72.8	160	164.7	-65.1	175.5	0	0	0	110.5	F112 V142 F151 I165	F112-L145 HydrophobicContact CZ-CD2 4.27Å; V142-L145 HydrophobicContact CG1-CD1 3.99Å; V142-L145 HydrophobicContact CG1-CG 4.16Å; L145-F151 HydrophobicContact CD1-CB 4.07Å; L145-F151 HydrophobicContact CD1-CD2 4.32Å; L145-I165 HydrophobicContact CD2-CD1 4.31Å; L145-I165 HydrophobicContact CD2-CG1 4.38Å
146	P	83	Confident	86.9	Confident	36 Å²	36	64 Å²	64	23%	0.234	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-56.7	148	173.8	-21.8	31.8	0	0	0	112.6	G148 L149 W164	P146-G148 PolarHBondContact O-N 3.48Å; P146-L149 HydrophobicContact CB-CB 4.09Å; P146-L149 HydrophobicContact CG-CB 4.26Å; P146-L149 HydrophobicContact CG-CD2 4.05Å; P146-L149 WeakPolarHBondContact O-CB 3.38Å; P146-L149 PolarHBondContact O-N 2.94Å; P146-W164 HydrophobicContact CB-CH2 4.46Å; P146-W164 HydrophobicContact CB-CZ2 4.5Å; P146-W164 VanDerWaalsContact CD-CZ3 3.41Å; P146-W164 HydrophobicContact CG-CD2 3.8Å; P146-W164 HydrophobicContact CG-CE3 3.52Å; P146-W164 HydrophobicContact CG-CH2 3.89Å; P146-W164 HydrophobicContact CG-CZ2 4.11Å; P146-W164 HydrophobicContact CG-CZ3 3.59Å
147	E	76.6	Confident	87.2	Confident	205 Å²	205	62.5 Å²	62.5	96%	0.958	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	128.6	172.8	-66.9	-168	134	0	0	110.8	L149	E147-L149 VanDerWaalsContact C-N 3.35Å
148	G	78.5	Confident	87.6	Confident	90 Å²	90	58.7 Å²	58.7	93%	0.928	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-4.9	-176.9	0	0	0	0	0	116	P146	P146-G148 PolarHBondContact O-N 3.48Å
149	L	86	Confident	87.9	Confident	55 Å²	55	58.3 Å²	58.3	29%	0.288	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-88.9	122.4	176.4	-167.6	80.8	0	0	0	111.8	P146 E147 Y157 T161	P146-L149 HydrophobicContact CB-CB 4.09Å; P146-L149 HydrophobicContact CG-CB 4.26Å; P146-L149 HydrophobicContact CG-CD2 4.05Å; P146-L149 WeakPolarHBondContact O-CB 3.38Å; P146-L149 PolarHBondContact O-N 2.94Å; E147-L149 VanDerWaalsContact C-N 3.35Å; L149-Y157 HydrophobicContact CD1-CD1 4.44Å; L149-Y157 HydrophobicContact CD1-CE1 4.15Å; L149-Y157 HydrophobicContact CD2-CD1 4.28Å; L149-Y157 HydrophobicContact CD2-CE1 3.68Å; L149-Y157 HydrophobicContact CG-CE1 3.98Å; L149-T161 HydrophobicContact CD1-CG2 4.04Å; L149-T161 HydrophobicContact CD2-CG2 3.48Å; L149-T161 VanDerWaalsContact CD2-CG2 3.48Å; L149-T161 HydrophobicContact CG-CG2 4.43Å
150	A	85.7	Confident	88	Confident	53 Å²	53	61.8 Å²	61.8	44%	0.438	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-70.8	150.9	172.2	0	0	0	0	0	112.5	Q152 Y157	A150-Q152 HydrophobicContact CB-CG 4.49Å; A150-Y157 WeakPolarHBondContact O-CE1 3.34Å; A150-Y157 PolarHBondContact O-OH 3.41Å
151	F	91.9	Very high	88.2	Confident	24 Å²	24	62.9 Å²	62.9	11%	0.105	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-72.4	127.9	169.5	175.9	-105.1	0	0	0	110.3	F112 V128 Y130 M133 L134 V142 L145 Y157 F174	F112-F151 AromaticContact CD2-CE2 3.86Å; F112-F151 HydrophobicContact CD2-CE2 3.86Å; F112-F151 HydrophobicContact CE2-CD2 4.29Å; F112-F151 AromaticContact CE2-CE2 3.75Å; F112-F151 HydrophobicContact CE2-CE2 3.75Å; V128-F151 HydrophobicContact CG1-CZ 4Å; Y130-F151 AromaticContact CD1-CE1 3.65Å; Y130-F151 HydrophobicContact CD1-CE1 3.65Å; Y130-F151 HydrophobicContact CD1-CE2 4.41Å; Y130-F151 AromaticContact CD1-CZ 3.47Å; Y130-F151 HydrophobicContact CD1-CZ 3.47Å; Y130-F151 VanDerWaalsContact CD1-CZ 3.47Å; Y130-F151 HydrophobicContact CE1-CE1 4.07Å; Y130-F151 HydrophobicContact CE1-CE2 4.01Å; Y130-F151 AromaticContact CE1-CZ 3.39Å; Y130-F151 HydrophobicContact CE1-CZ 3.39Å; M133-F151 HydrophobicContact CB-CD1 4.47Å; M133-F151 HydrophobicContact CB-CE1 4.06Å; M133-F151 HydrophobicContact CE-CD1 3.91Å; M133-F151 HydrophobicContact CE-CE1 3.44Å; M133-F151 VanDerWaalsContact CE-CE1 3.44Å; M133-F151 HydrophobicContact CE-CE2 4.46Å; M133-F151 HydrophobicContact CE-CZ 3.75Å; M133-F151 HydrophobicContact SD-CE1 3.87Å; M133-F151 HydrophobicContact SD-CZ 4.12Å; L134-F151 WeakPolarHBondContact CD2-O 3.43Å; V142-F151 HydrophobicContact CB-CD2 4.38Å; V142-F151 HydrophobicContact CG1-CD2 4.23Å; V142-F151 HydrophobicContact CG2-CD2 3.83Å; V142-F151 HydrophobicContact CG2-CE2 4.13Å; V142-F151 HydrophobicContact CG2-CG 4.03Å; L145-F151 HydrophobicContact CD1-CB 4.07Å; L145-F151 HydrophobicContact CD1-CD2 4.32Å; F151-Y157 WeakPolarHBondContact CA-OH 3.41Å; F151-F174 HydrophobicContact CE2-CE1 4.16Å; F151-F174 AromaticContact CE2-CZ 3.78Å; F151-F174 HydrophobicContact CE2-CZ 3.78Å; F151-F174 HydrophobicContact CZ-CE1 4.13Å; F151-F174 HydrophobicContact CZ-CZ 4.17Å
152	Q	91.2	Very high	88.5	Confident	69 Å²	69	61 Å²	61	32%	0.322	36%	0.356	S	S	.	.			trans	-147.9	172	-178.3	-60.4	-166.8	21.6	0	0	111.3	Y130 A150 N156 Y157	Y130-Q152 WeakPolarHBondContact CE1-O 3.3Å; A150-Q152 HydrophobicContact CB-CG 4.49Å; Q152-N156 HydrophobicContact CB-CB 4.25Å; Q152-N156 PolarHBondContact OE1-ND2 3.05Å; Q152-Y157 HydrophobicContact CB-CE1 4.1Å; Q152-Y157 HydrophobicContact CG-CE1 4.48Å; Q152-Y157 PolarHBondContact N-OH 3.02Å
153	H	93.8	Very high	88.4	Confident	78 Å²	78	63 Å²	63	36%	0.361	36%	0.362	S	S	.	.			trans	-65.3	141.7	169.7	-168	-82.1	0	0	0	110.7	Q109 Y130 D155 N156	Q109-H153 PolarHBondContact NE2-NE2 3.45Å; Y130-H153 HydrophobicContact CD1-CB 4.3Å; Y130-H153 AromaticContact CD2-CD2 3.49Å; Y130-H153 VanDerWaalsContact CD2-CD2 3.49Å; Y130-H153 WeakPolarHBondContact CD2-CD2 3.33Å; Y130-H153 AromaticContact CE2-CD2 3.57Å; Y130-H153 HydrophobicContact CG-CB 4.36Å; Y130-H153 AromaticContact CG-CD2 3.99Å; H153-D155 IonicContact CE1-OD1 2.65Å; H153-D155 IonicContact CE1-OD2 2.7Å; H153-D155 PolarHBondContact CE1-OD2 2.85Å; H153-D155 PolarHBondContact ND1-N 3.42Å; H153-D155 IonicContact ND1-OD2 2.7Å; H153-D155 PolarHBondContact ND1-OD2 3.19Å; H153-D155 PolarHBondContact O-N 3.4Å; H153-N156 WeakPolarHBondContact O-CB 3.35Å; H153-N156 PolarHBondContact O-N 2.94Å
154	P	92.3	Very high	88.5	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-56	-26.6	-176	-29.3	36.9	0	0	0	115.3	R105 V108 Q109 Y130 N156 Y157 L162	R105-P154 HydrophobicContact CB-CB 4.49Å; V108-P154 HydrophobicContact CB-CB 4.32Å; V108-P154 HydrophobicContact CB-CG 4.41Å; V108-P154 HydrophobicContact CG1-CB 4.16Å; V108-P154 HydrophobicContact CG1-CG 3.93Å; Q109-P154 HydrophobicContact CB-CG 4.25Å; Y130-P154 WeakPolarHBondContact OH-CD 3.27Å; P154-N156 PolarHBondContact O-N 3.24Å; P154-Y157 PolarHBondContact O-N 3.22Å; P154-L162 HydrophobicContact CB-CD2 4.29Å
155	D	89.7	Confident	88.9	Confident	75 Å²	75	58 Å²	58	40%	0.401	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-63.8	-28.8	178.5	-66	-30.2	0	0	0	113	R105 H153	R105-D155 VanDerWaalsContact CD-OD1 3.3Å; R105-D155 WeakPolarHBondContact CD-OD1 3.29Å; R105-D155 IonicContact NE-OD1 2.71Å; R105-D155 PolarHBondContact NH2-O 3.34Å; H153-D155 IonicContact CE1-OD1 2.65Å; H153-D155 IonicContact CE1-OD2 2.7Å; H153-D155 PolarHBondContact CE1-OD2 2.85Å; H153-D155 PolarHBondContact ND1-N 3.42Å; H153-D155 IonicContact ND1-OD2 2.7Å; H153-D155 PolarHBondContact ND1-OD2 3.19Å; H153-D155 PolarHBondContact O-N 3.4Å
156	N	91.3	Very high	89	Confident	108 Å²	108	58 Å²	58	58%	0.578	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-82.3	-9.7	-179.6	-60.6	-3.8	0	0	0	113.7	Q152 H153 P154	Q152-N156 HydrophobicContact CB-CB 4.25Å; Q152-N156 PolarHBondContact OE1-ND2 3.05Å; H153-N156 WeakPolarHBondContact O-CB 3.35Å; H153-N156 PolarHBondContact O-N 2.94Å; P154-N156 PolarHBondContact O-N 3.24Å
157	Y	92.2	Very high	89.4	Confident	13 Å²	13	63.2 Å²	63.2	5%	0.051	35%	0.354	C	S	.	.	S	Bend	trans	-87.1	144.3	-179.6	-73.4	-40.8	0	0	0	112.5	F112 L149 A150 F151 Q152 P154 T161 L162 I165	F112-Y157 HydrophobicContact CE2-CE2 4.13Å; F112-Y157 HydrophobicContact CZ-CE2 4.26Å; L149-Y157 HydrophobicContact CD1-CD1 4.44Å; L149-Y157 HydrophobicContact CD1-CE1 4.15Å; L149-Y157 HydrophobicContact CD2-CD1 4.28Å; L149-Y157 HydrophobicContact CD2-CE1 3.68Å; L149-Y157 HydrophobicContact CG-CE1 3.98Å; A150-Y157 WeakPolarHBondContact O-CE1 3.34Å; A150-Y157 PolarHBondContact O-OH 3.41Å; F151-Y157 WeakPolarHBondContact CA-OH 3.41Å; Q152-Y157 HydrophobicContact CB-CE1 4.1Å; Q152-Y157 HydrophobicContact CG-CE1 4.48Å; Q152-Y157 PolarHBondContact N-OH 3.02Å; P154-Y157 PolarHBondContact O-N 3.22Å; Y157-T161 HydrophobicContact CD1-CG2 3.75Å; Y157-T161 HydrophobicContact CE1-CG2 4.33Å; Y157-T161 HydrophobicContact CG-CG2 3.92Å; Y157-L162 HydrophobicContact CD2-CD2 4.32Å; Y157-I165 HydrophobicContact CD2-CD1 3.82Å; Y157-I165 HydrophobicContact CE2-CD1 3.78Å; Y157-I165 HydrophobicContact CG-CD1 4.46Å
158	S	90.2	Very high	90	Very high	62 Å²	62	56.6 Å²	56.6	43%	0.434	33%	0.325	S	S	.	.			trans	-67.8	156.2	174.2	84.4	0	0	0	0	111.6	A160 T161 L162	S158-A160 PolarHBondContact O-N 3.3Å; S158-A160 PolarHBondContact OG-N 3.12Å; S158-T161 WeakPolarHBondContact O-CA 3.29Å; S158-T161 WeakPolarHBondContact O-CB 3.42Å; S158-T161 PolarHBondContact O-N 3.12Å; S158-T161 PolarHBondContact OG-N 2.82Å; S158-T161 VanDerWaalsContact OG-N 3.13Å; S158-T161 PolarHBondContact OG-OG1 3.48Å; S158-L162 WeakPolarHBondContact O-CG 3.25Å; S158-L162 PolarHBondContact O-N 2.96Å
159	L	87.1	Confident	90.5	Very high	51 Å²	51	57.4 Å²	57.4	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-52.5	-39.2	174.4	-96.9	169.3	0	0	0	113.1	A96 A101 L104 K163	A96-L159 HydrophobicContact CB-CD1 3.7Å; A101-L159 HydrophobicContact CB-CD1 4.42Å; A101-L159 HydrophobicContact CB-CD2 3.95Å; A101-L159 HydrophobicContact CB-CG 4.15Å; L104-L159 HydrophobicContact CD1-CD2 3.47Å; L104-L159 VanDerWaalsContact CD1-CD2 3.47Å; L159-K163 WeakPolarHBondContact O-CG 3.39Å; L159-K163 PolarHBondContact O-N 3.42Å; L159-K163 VanDerWaalsContact O-N 3.14Å
160	A	88.5	Confident	90.3	Very high	74 Å²	74	59.8 Å²	59.8	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-67.9	-40.9	176.6	0	0	0	0	0	111.9	S158 K163 W164	S158-A160 PolarHBondContact O-N 3.3Å; S158-A160 PolarHBondContact OG-N 3.12Å; A160-K163 PolarHBondContact O-N 2.71Å; A160-W164 WeakPolarHBondContact O-CB 3.48Å; A160-W164 PolarHBondContact O-N 2.99Å
161	T	91.7	Very high	90.4	Very high	27 Å²	27	59.5 Å²	59.5	17%	0.166	33%	0.333	C	S	.	.	H	α-helix	trans	-63.3	-44.1	176.3	-48.9	0	0	0	0	111.5	L149 Y157 S158 W164 I165	L149-T161 HydrophobicContact CD1-CG2 4.04Å; L149-T161 HydrophobicContact CD2-CG2 3.48Å; L149-T161 VanDerWaalsContact CD2-CG2 3.48Å; L149-T161 HydrophobicContact CG-CG2 4.43Å; Y157-T161 HydrophobicContact CD1-CG2 3.75Å; Y157-T161 HydrophobicContact CE1-CG2 4.33Å; Y157-T161 HydrophobicContact CG-CG2 3.92Å; S158-T161 WeakPolarHBondContact O-CA 3.29Å; S158-T161 WeakPolarHBondContact O-CB 3.42Å; S158-T161 PolarHBondContact O-N 3.12Å; S158-T161 PolarHBondContact OG-N 2.82Å; S158-T161 VanDerWaalsContact OG-N 3.13Å; S158-T161 PolarHBondContact OG-OG1 3.48Å; T161-W164 PolarHBondContact O-N 2.78Å; T161-I165 HydrophobicContact CG2-CD1 3.99Å; T161-I165 WeakPolarHBondContact O-CB 3.47Å; T161-I165 VanDerWaalsContact O-CG1 3.28Å; T161-I165 WeakPolarHBondContact O-CG1 3.43Å; T161-I165 PolarHBondContact O-N 2.95Å
162	L	93.6	Very high	90.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-42.2	178.5	-68.2	167.9	0	0	0	112.2	L104 R105 V108 P154 Y157 S158 I165 L166	L104-L162 HydrophobicContact CB-CB 4.04Å; L104-L162 HydrophobicContact CB-CD1 4.23Å; R105-L162 HydrophobicContact CG-CD1 3.79Å; V108-L162 HydrophobicContact CB-CD2 4.04Å; V108-L162 HydrophobicContact CG1-CD2 4.32Å; V108-L162 HydrophobicContact CG2-CB 4.48Å; V108-L162 HydrophobicContact CG2-CD2 3.74Å; P154-L162 HydrophobicContact CB-CD2 4.29Å; Y157-L162 HydrophobicContact CD2-CD2 4.32Å; S158-L162 WeakPolarHBondContact O-CG 3.25Å; S158-L162 PolarHBondContact O-N 2.96Å; L162-I165 PolarHBondContact O-N 3.1Å; L162-L166 WeakPolarHBondContact O-CG 3.44Å; L162-L166 PolarHBondContact O-N 2.85Å
163	K	89.4	Confident	90.4	Very high	74 Å²	74	58 Å²	58	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-49.4	174.3	-72.4	-179.7	-180	-178.6	0	111.2	E100 L104 L159 A160 I165 L166 E167	E100-K163 WeakPolarHBondContact OE1-CE 3.33Å; E100-K163 IonicContact OE1-NZ 3.83Å; E100-K163 PolarHBondContact OE1-NZ 3.05Å; E100-K163 WeakPolarHBondContact OE2-CE 3.42Å; E100-K163 IonicContact OE2-NZ 2.79Å; E100-K163 PolarHBondContact OE2-NZ 3.01Å; L104-K163 HydrophobicContact CD1-CD 4.33Å; L104-K163 HydrophobicContact CD1-CG 3.78Å; L104-K163 HydrophobicContact CD2-CG 4.08Å; L159-K163 WeakPolarHBondContact O-CG 3.39Å; L159-K163 PolarHBondContact O-N 3.42Å; L159-K163 VanDerWaalsContact O-N 3.14Å; A160-K163 PolarHBondContact O-N 2.71Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 3.25Å; K163-L166 PolarHBondContact O-N 3.44Å; K163-L166 VanDerWaalsContact O-N 3.09Å; K163-E167 WeakPolarHBondContact O-CG 3.42Å; K163-E167 PolarHBondContact O-N 2.93Å
164	W	93.7	Very high	90.4	Very high	89 Å²	89	55 Å²	55	34%	0.337	32%	0.318	S	S	.	.	H	α-helix	trans	-56.4	-42.4	177.6	-171.6	100.1	0	0	0	112.5	G144 P146 A160 T161 L166 E167 N168	G144-W164 WeakPolarHBondContact O-CZ3 3.44Å; P146-W164 HydrophobicContact CB-CH2 4.46Å; P146-W164 HydrophobicContact CB-CZ2 4.5Å; P146-W164 VanDerWaalsContact CD-CZ3 3.41Å; P146-W164 HydrophobicContact CG-CD2 3.8Å; P146-W164 HydrophobicContact CG-CE3 3.52Å; P146-W164 HydrophobicContact CG-CH2 3.89Å; P146-W164 HydrophobicContact CG-CZ2 4.11Å; P146-W164 HydrophobicContact CG-CZ3 3.59Å; A160-W164 WeakPolarHBondContact O-CB 3.48Å; A160-W164 PolarHBondContact O-N 2.99Å; T161-W164 PolarHBondContact O-N 2.78Å; W164-L166 VanDerWaalsContact C-N 3.33Å; W164-L166 PolarHBondContact O-N 3.08Å; W164-E167 PolarHBondContact O-N 3.27Å; W164-N168 HydrophobicContact CD2-CB 4.29Å; W164-N168 VanDerWaalsContact CE2-ND2 3.28Å; W164-N168 HydrophobicContact CE3-CB 3.97Å; W164-N168 HydrophobicContact CH2-CB 3.79Å; W164-N168 HydrophobicContact CZ2-CB 4.14Å; W164-N168 HydrophobicContact CZ3-CB 3.69Å; W164-N168 WeakPolarHBondContact O-CB 3.41Å; W164-N168 PolarHBondContact O-N 2.82Å; W164-N168 PolarHBondContact O-ND2 3.28Å
165	I	92.9	Very high	90.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-40.1	178.1	-76.6	167.7	0	0	0	111.5	V108 F112 L145 Y157 T161 L162 K163 K169 I172	V108-I165 HydrophobicContact CB-CG2 4.45Å; V108-I165 HydrophobicContact CG1-CG2 3.87Å; V108-I165 HydrophobicContact CG2-CB 4.31Å; V108-I165 HydrophobicContact CG2-CG2 3.75Å; F112-I165 HydrophobicContact CE1-CG2 3.94Å; F112-I165 HydrophobicContact CZ-CD1 4.3Å; F112-I165 HydrophobicContact CZ-CG2 4.31Å; L145-I165 HydrophobicContact CD2-CD1 4.31Å; L145-I165 HydrophobicContact CD2-CG1 4.38Å; Y157-I165 HydrophobicContact CD2-CD1 3.82Å; Y157-I165 HydrophobicContact CE2-CD1 3.78Å; Y157-I165 HydrophobicContact CG-CD1 4.46Å; T161-I165 HydrophobicContact CG2-CD1 3.99Å; T161-I165 WeakPolarHBondContact O-CB 3.47Å; T161-I165 VanDerWaalsContact O-CG1 3.28Å; T161-I165 WeakPolarHBondContact O-CG1 3.43Å; T161-I165 PolarHBondContact O-N 2.95Å; L162-I165 PolarHBondContact O-N 3.1Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 3.25Å; I165-K169 WeakPolarHBondContact O-CA 3.4Å; I165-K169 PolarHBondContact O-N 3.44Å; I165-I172 HydrophobicContact CB-CD1 4.31Å; I165-I172 HydrophobicContact CG1-CD1 4.43Å; I165-I172 HydrophobicContact CG2-CD1 3.72Å
166	L	91	Very high	90.1	Very high	34 Å²	34	55.2 Å²	55.2	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-78.9	-27.2	-179.6	-67.1	171.9	0	0	0	113.5	L104 A107 V108 L162 K163 W164 K169	L104-L166 HydrophobicContact CD2-CD1 3.55Å; A107-L166 HydrophobicContact CB-CD1 3.88Å; A107-L166 HydrophobicContact CB-CD2 4.13Å; V108-L166 HydrophobicContact CG2-CD1 4.04Å; V108-L166 HydrophobicContact CG2-CD2 3.84Å; V108-L166 HydrophobicContact CG2-CG 3.69Å; L162-L166 WeakPolarHBondContact O-CG 3.44Å; L162-L166 PolarHBondContact O-N 2.85Å; K163-L166 PolarHBondContact O-N 3.44Å; K163-L166 VanDerWaalsContact O-N 3.09Å; W164-L166 VanDerWaalsContact C-N 3.33Å; W164-L166 PolarHBondContact O-N 3.08Å; L166-K169 WeakPolarHBondContact O-CD 3.45Å; L166-K169 WeakPolarHBondContact O-CE 3.45Å; L166-K169 WeakPolarHBondContact O-CG 3.5Å
167	E	89.8	Confident	89.8	Confident	145 Å²	145	57.5 Å²	57.5	68%	0.678	33%	0.331	S	S	*	.	H	α-helix	trans	-70.2	-44.5	170.4	-70.6	166.9	171.5	0	0	110.9	K163 W164	K163-E167 WeakPolarHBondContact O-CG 3.42Å; K163-E167 PolarHBondContact O-N 2.93Å; W164-E167 PolarHBondContact O-N 3.27Å
168	N	89.7	Confident	89.2	Confident	65 Å²	65	63.4 Å²	63.4	35%	0.348	35%	0.353	S	S	.	.	S	Bend	trans	-93.6	8.6	-175.5	-66.3	-88	0	0	0	114.2	W164 A170 G171	W164-N168 HydrophobicContact CD2-CB 4.29Å; W164-N168 VanDerWaalsContact CE2-ND2 3.28Å; W164-N168 HydrophobicContact CE3-CB 3.97Å; W164-N168 HydrophobicContact CH2-CB 3.79Å; W164-N168 HydrophobicContact CZ2-CB 4.14Å; W164-N168 HydrophobicContact CZ3-CB 3.69Å; W164-N168 WeakPolarHBondContact O-CB 3.41Å; W164-N168 PolarHBondContact O-N 2.82Å; W164-N168 PolarHBondContact O-ND2 3.28Å; N168-A170 PolarHBondContact O-N 2.99Å; N168-G171 PolarHBondContact O-N 3.48Å
169	K	90.1	Very high	88.1	Confident	107 Å²	107	64.4 Å²	64.4	47%	0.465	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-22.4	-175.6	66.6	-176	167	-156.4	0	116.6	H111 I165 L166 G171	H111-K169 PolarHBondContact NE2-O 3.16Å; I165-K169 WeakPolarHBondContact O-CA 3.4Å; I165-K169 PolarHBondContact O-N 3.44Å; L166-K169 WeakPolarHBondContact O-CD 3.45Å; L166-K169 WeakPolarHBondContact O-CE 3.45Å; L166-K169 WeakPolarHBondContact O-CG 3.5Å; K169-G171 VanDerWaalsContact C-N 3.32Å
170	A	81.2	Confident	87.3	Confident	105 Å²	105	64.6 Å²	64.6	87%	0.868	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.9	176.8	0	0	0	0	0	113.6	N168	N168-A170 PolarHBondContact O-N 2.99Å
171	G	86.4	Confident	85.2	Confident	47 Å²	47	69.6 Å²	69.6	49%	0.485	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-14.9	175.4	0	0	0	0	0	114.3	N168 K169	N168-G171 PolarHBondContact O-N 3.48Å; K169-G171 VanDerWaalsContact C-N 3.32Å
172	I	91.6	Very high	82.8	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.041	40%	0.396	C	S	.	.			trans	-78.7	125.8	-174.2	-63.7	176.1	0	0	0	110.3	F112 R143 G144 I165 F174	F112-I172 HydrophobicContact CE1-CD1 4.47Å; F112-I172 HydrophobicContact CE1-CG2 4.25Å; R143-I172 WeakPolarHBondContact O-CA 3.19Å; G144-I172 WeakPolarHBondContact O-CG1 3.43Å; I165-I172 HydrophobicContact CB-CD1 4.31Å; I165-I172 HydrophobicContact CG1-CD1 4.43Å; I165-I172 HydrophobicContact CG2-CD1 3.72Å; I172-F174 HydrophobicContact CG2-CE2 4.46Å
173	S	92.1	Very high	79.6	Confident	54 Å²	54	76 Å²	76	38%	0.378	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148	-178.7	49.9	0	0	0	0	112.2	R143	R143-S173 PolarHBondContact N-O 3.24Å; R143-S173 PolarHBondContact O-N 2.99Å
174	F	93.2	Very high	76.7	Confident	16 Å²	16	81.9 Å²	81.9	7%	0.07	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.7	177.1	-74.8	-128.1	0	0	0	108.2	F112 C115 Y116 A119 V128 M133 V140 V141 V142 F151 I172	F112-F174 HydrophobicContact CB-CE2 4.45Å; F112-F174 HydrophobicContact CB-CZ 4.04Å; F112-F174 HydrophobicContact CD1-CE2 4.3Å; F112-F174 HydrophobicContact CD1-CZ 4.46Å; F112-F174 HydrophobicContact CD2-CZ 4.41Å; F112-F174 HydrophobicContact CG-CE2 4.35Å; F112-F174 HydrophobicContact CG-CZ 4.08Å; C115-F174 HydrophobicContact CB-CD2 3.56Å; C115-F174 HydrophobicContact CB-CE2 3.91Å; C115-F174 HydrophobicContact CB-CG 4.39Å; Y116-F174 AromaticContact CD2-CD1 3.95Å; Y116-F174 HydrophobicContact CD2-CD1 3.95Å; Y116-F174 HydrophobicContact CD2-CE1 4.49Å; Y116-F174 HydrophobicContact CG-CD1 4.42Å; A119-F174 HydrophobicContact CB-CB 3.69Å; A119-F174 VanDerWaalsContact CB-O 3.23Å; A119-F174 WeakPolarHBondContact CB-O 3.31Å; V128-F174 HydrophobicContact CG1-CE1 4.06Å; M133-F174 HydrophobicContact CE-CD1 4Å; M133-F174 HydrophobicContact CE-CE1 3.76Å; M133-F174 HydrophobicContact SD-CE1 4.15Å; V140-F174 HydrophobicContact CG1-CD1 4.1Å; V141-F174 CarbonylContact O-C 3.51Å; V142-F174 HydrophobicContact CG1-CD2 4.35Å; V142-F174 HydrophobicContact CG1-CE2 4.17Å; V142-F174 HydrophobicContact CG2-CD1 3.96Å; V142-F174 HydrophobicContact CG2-CD2 4.43Å; V142-F174 HydrophobicContact CG2-CE1 3.91Å; V142-F174 HydrophobicContact CG2-CE2 4.37Å; V142-F174 HydrophobicContact CG2-CG 4.24Å; V142-F174 HydrophobicContact CG2-CZ 4.12Å; F151-F174 HydrophobicContact CE2-CE1 4.16Å; F151-F174 AromaticContact CE2-CZ 3.78Å; F151-F174 HydrophobicContact CE2-CZ 3.78Å; F151-F174 HydrophobicContact CZ-CE1 4.13Å; F151-F174 HydrophobicContact CZ-CZ 4.17Å; I172-F174 HydrophobicContact CG2-CE2 4.46Å
175	A	89.8	Confident	73.5	Confident	40 Å²	40	82.9 Å²	82.9	33%	0.331	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	102.5	177.6	0	0	0	0	0	110.3	V141 K177	V141-A175 HydrophobicContact CB-CB 4.49Å; V141-A175 PolarHBondContact N-O 2.89Å; V141-A175 PolarHBondContact O-N 3.1Å; A175-K177 PolarHBondContact O-N 3.46Å
176	V	86.5	Confident	70.3	Confident	40 Å²	40	91.3 Å²	91.3	24%	0.242	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.3	177.4	-179.3	0	0	0	0	109.3	Y116 A119 L120 V140 P179	Y116-V176 HydrophobicContact CE2-CG2 4.14Å; A119-V176 HydrophobicContact CB-CG2 3.96Å; L120-V176 HydrophobicContact CD2-CG2 4.05Å; L120-V176 HydrophobicContact CG-CG2 4.39Å; V140-V176 HydrophobicContact CG1-CG2 4.22Å; V140-V176 HydrophobicContact CG2-CG1 4.44Å; V140-V176 HydrophobicContact CG2-CG2 4.15Å; V176-P179 HydrophobicContact CG1-CG 4.24Å
177	K	85	Confident	67.3	Low	156 Å²	156	97.9 Å²	97.9	68%	0.678	56%	0.558	S	S	*	*	S	Bend	trans	-94.8	-30.1	170.5	-71.5	-179	175	175.1	0	112.3	A138 A139 V141 A175	A138-K177 WeakPolarHBondContact O-CD 3.28Å; A139-K177 WeakPolarHBondContact O-CA 3.46Å; A139-K177 PolarHBondContact O-N 3.21Å; V141-K177 HydrophobicContact CG2-CD 4.07Å; A175-K177 PolarHBondContact O-N 3.46Å
178	R	79.4	Confident	64.4	Low	137 Å²	137	94.9 Å²	94.9	52%	0.517	57%	0.566	S	S	.	*	S	Bend	trans	-145.5	123.3	173.7	-156.9	-169.7	-49.6	118.8	5.7	108.8	D136 A139	D136-R178 IonicContact OD2-CZ 3.53Å; D136-R178 IonicContact OD2-NH1 3.03Å; D136-R178 PolarHBondContact OD2-NH1 3.49Å; D136-R178 IonicContact OD2-NH2 3.23Å; A139-R178 HydrophobicContact CB-CB 4.26Å; A139-R178 PolarHBondContact O-N 3.08Å
179	P	68.5	Low	61.4	Low	83 Å²	83	94.8 Å²	94.8	54%	0.539	58%	0.58	S	S	.	*			trans	-65.8	143.8	174.1	-20.2	32.8	0	0	0	111.5	V176	V176-P179 HydrophobicContact CG1-CG 4.24Å
180	F	69.4	Low	58.4	Low	55 Å²	55	98.6 Å²	98.6	24%	0.241	61%	0.605	C	S	.	*			trans	-79.1	120.3	166.4	-61.1	-69.7	0	0	0	109.4	P129 Q132 M133 D136 A139 V140	P129-F180 HydrophobicContact CG-CD2 3.91Å; P129-F180 HydrophobicContact CG-CE2 4.33Å; Q132-F180 VanDerWaalsContact C-CZ 3.44Å; Q132-F180 HydrophobicContact CB-CD1 3.86Å; Q132-F180 HydrophobicContact CB-CD2 4.04Å; Q132-F180 HydrophobicContact CB-CE1 3.83Å; Q132-F180 HydrophobicContact CB-CE2 4Å; Q132-F180 HydrophobicContact CB-CG 3.97Å; Q132-F180 HydrophobicContact CB-CZ 3.9Å; Q132-F180 VanDerWaalsContact O-CZ 3.29Å; Q132-F180 WeakPolarHBondContact O-CZ 3.17Å; M133-F180 HydrophobicContact CG-CE2 3.77Å; M133-F180 HydrophobicContact CG-CZ 4.35Å; D136-F180 HydrophobicContact CB-CE1 4.27Å; A139-F180 HydrophobicContact CB-CE1 3.81Å; A139-F180 HydrophobicContact CB-CE2 4.33Å; A139-F180 HydrophobicContact CB-CZ 3.59Å; V140-F180 HydrophobicContact CG2-CD2 4.32Å; V140-F180 HydrophobicContact CG2-CE2 3.66Å; V140-F180 HydrophobicContact CG2-CZ 4.39Å
181	L	43.9	Very low	55.8	Low	178 Å²	178	96.8 Å²	96.8	93%	0.932	60%	0.596	S	S	*	*			trans	-89.3	108.5	179	-73.4	169.6	0	0	0	110.2
182	G	41.1	Very low	53.1	Low	65 Å²	65	103.4 Å²	103.4	67%	0.67	62%	0.617	S	S	*	*			trans	-105.9	105.7	-176.7	0	0	0	0	0	114.4	E184	G182-E184 PolarHBondContact O-N 2.89Å
183	A	26.8	Very low	50.1	Low	98 Å²	98	109.4 Å²	109.4	81%	0.81	65%	0.653	S	S	*	*	S	Bend	trans	57	43.9	145.1	0	0	0	0	0	121.1
184	E	29.2	Very low	47.1	Very low	197 Å²	197	112.8 Å²	112.8	92%	0.921	67%	0.671	S	S	*	*			trans	-115.1	85.2	152.3	-75.8	-164.7	161.1	0	0	110.4	G182	G182-E184 PolarHBondContact O-N 2.89Å
185	S	25.3	Very low	44	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	71%	0.708	S	S	*	*			trans	-154.1	44.7	-174.3	60.9	0	0	0	0	115.5
186	Q	26.5	Very low	41.2	Very low	178 Å²	178	121.8 Å²	121.8	83%	0.832	73%	0.727	S	S	*	*			trans	-134.7	133.1	166.4	-62.5	-167	20.3	0	0	110.9
187	L	28.6	Very low	38.5	Very low	171 Å²	171	123.4 Å²	123.4	90%	0.895	75%	0.752	S	S	*	*			trans	60	113.5	-170.4	-64.1	76.1	0	0	0	113
188	G	27.7	Very low	35.9	Very low	83 Å²	83	128 Å²	128	86%	0.856	77%	0.765	S	S	*	*			cis	93.3	121.3	11.8	0	0	0	0	0	111.8
189	G	26.3	Very low	33.9	Very low	62 Å²	62	126.7 Å²	126.7	64%	0.639	77%	0.774	S	S	*	*			cis	179	175.2	-3.6	0	0	0	0	0	111.9
190	L	27.8	Very low	32.2	Very low	188 Å²	188	129.8 Å²	129.8	98%	0.984	79%	0.792	S	S	*	*			trans	66.1	152.8	-173.2	-62.3	89.3	0	0	0	115.3
191	G	26.3	Very low	30.4	Very low	66 Å²	66	133.4 Å²	133.4	68%	0.68	82%	0.818	S	S	*	*			cis	165.4	80.6	-9.7	0	0	0	0	0	116.7
192	M	29.5	Very low	30.3	Very low	187 Å²	187	130.3 Å²	130.3	92%	0.921	81%	0.809	S	S	*	*			trans	64.6	169.8	160.8	-66.7	-149.4	75.7	0	0	120.8
193	V	30	Very low	30.3	Very low	133 Å²	133	132.5 Å²	132.5	81%	0.806	81%	0.811	S	S	*	*			trans	85.1	162.1	168.1	-164.2	0	0	0	0	115.3
194	T	27.7	Very low	30.5	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	81%	0.807	S	S	*	*			trans	-131.6	154.3	-140.2	50.9	0	0	0	0	115.7
195	D	29.1	Very low	30.8	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	80%	0.795	S	S	*	*			trans	87.1	148.8	148.1	-152.5	17.9	0	0	0	120.3
196	A	29.8	Very low	31.1	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	79%	0.787	S	S	*	*			trans	40.6	134.3	161.4	0	0	0	0	0	122.6
197	G	30.8	Very low	31.1	Very low	74 Å²	74	131.9 Å²	131.9	76%	0.763	79%	0.789	S	S	*	*			trans	152.8	21.9	136.4	0	0	0	0	0	126.2
198	R	31.2	Very low	31.3	Very low	253 Å²	253	127 Å²	127	96%	0.955	78%	0.78	S	S	*	*			trans	62.5	167.1	165.4	-100.1	-160.4	160.1	-173.6	-6	119.3
199	P	37	Very low	31.8	Very low	109 Å²	109	129 Å²	129	71%	0.708	78%	0.778	S	S	*	*			trans	-121.6	171.3	-163.7	44.2	-34.8	0	0	0	117.3
200	T	31.4	Very low	31.9	Very low	148 Å²	148	132.8 Å²	132.8	91%	0.908	79%	0.788	S	S	*	*			trans	-144.5	171.5	160.6	-41.2	0	0	0	0	110.9
201	V	32.4	Very low	32	Very low	132 Å²	132	128.4 Å²	128.4	80%	0.8	77%	0.773	S	S	*	*			trans	-117	147.9	-157.8	159.6	0	0	0	0	114.9
202	P	42.5	Very low	32.1	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	77%	0.77	S	S	*	*			trans	-98.3	174.9	173.2	40.4	-37.9	0	0	0	114.4
203	P	40.5	Very low	32	Very low	111 Å²	111	130.5 Å²	130.5	72%	0.721	77%	0.767	S	S	*	*				-157	-176.2	119.8	43.8	-26.5	0	0	0	117.5
204	N	31.8	Very low	32	Very low	136 Å²	136	130.4 Å²	130.4	73%	0.727	77%	0.767	S	S	*	*			trans	71	152.5	158.9	-75.6	37	0	0	0	119.8
205	D	33.6	Very low	32	Very low	126 Å²	126	131.3 Å²	131.3	67%	0.674	76%	0.762	S	S	*	*			cis	-159.6	-170.8	7.2	-129.2	-41.4	0	0	0	109.9
206	S	31.8	Very low	32.3	Very low	85 Å²	85	128.8 Å²	128.8	59%	0.594	76%	0.755	S	S	*	*			cis	-168.2	132.8	-1.6	163.2	0	0	0	0	112.7
207	Y	28	Very low	32.3	Very low	224 Å²	224	131.3 Å²	131.3	88%	0.878	75%	0.753	S	S	*	*			trans	54.9	169.8	148.5	-66.9	-124.5	0	0	0	119.9
208	G	31.3	Very low	32.3	Very low	68 Å²	68	135.2 Å²	135.2	70%	0.701	75%	0.751	S	S	*	*			cis	-170.3	177.2	0.4	0	0	0	0	0	114.3
209	P	38.7	Very low	32.2	Very low	125 Å²	125	129.5 Å²	129.5	81%	0.812	74%	0.739	S	S	*	*			trans	-139.6	-156.5	-151.3	40.7	-19.6	0	0	0	119.7
210	V	28.3	Very low	31.9	Very low	141 Å²	141	129.1 Å²	129.1	86%	0.855	74%	0.739	S	S	*	*			trans	89.4	147.3	171.7	-177.1	0	0	0	0	116
211	S	31.4	Very low	31.7	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	73%	0.728	S	S	*	*			cis	-142.5	170.4	9.8	-149.5	0	0	0	0	110.1
212	V	26.4	Very low	31.6	Very low	102 Å²	102	126 Å²	126	62%	0.618	73%	0.734	S	S	*	*			cis	91.3	109.8	7.2	-173.8	0	0	0	0	118.8
213	K	29.1	Very low	30.9	Very low	195 Å²	195	125.6 Å²	125.6	85%	0.848	73%	0.734	S	S	*	*			trans	-175.4	99.1	158.3	-158	176	-171.5	-178.1	0	113.5
214	T	28.8	Very low	30.7	Very low	132 Å²	132	125.8 Å²	125.8	81%	0.81	74%	0.735	S	S	*	*				78.9	145.6	96.2	12	0	0	0	0	121.9
215	E	28	Very low	30.5	Very low	144 Å²	144	131.4 Å²	131.4	67%	0.673	75%	0.746	S	S	*	*			trans	-94.5	-151.7	-168.3	-46.5	177.7	129.4	0	0	113.8	N314	E215-N314 PolarHBondContact OE1-ND2 3.29Å
216	P	34.6	Very low	30.1	Very low	103 Å²	103	130.1 Å²	130.1	67%	0.669	75%	0.752	S	S	*	*			cis	-144.5	-166.4	-7.7	39.2	-15.7	0	0	0	118.2
217	M	30.1	Very low	30	Very low	141 Å²	141	131.1 Å²	131.1	70%	0.695	77%	0.766	S	S	*	*			trans	111.2	129.1	131.8	-108.2	169.2	62.1	0	0	123.7
218	E	31.3	Very low	29.9	Very low	157 Å²	157	125.3 Å²	125.3	73%	0.734	76%	0.764	S	S	*	*			trans	66.9	149.4	139.7	-88.6	168.5	-142.7	0	0	122.6
219	D	29.6	Very low	29.6	Very low	132 Å²	132	131.5 Å²	131.5	71%	0.706	78%	0.777	S	S	*	*			cis	-156.5	166.3	-4.7	-167.5	30	0	0	0	114.6
220	S	29.8	Very low	28.9	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	78%	0.777	S	S	*	*			trans	14.9	157.8	155.5	70.9	0	0	0	0	125.8
221	G	28.8	Very low	28.7	Very low	65 Å²	65	133.1 Å²	133.1	67%	0.67	77%	0.772	S	S	*	*			trans	177.6	36.9	170	0	0	0	0	0	125.5
222	T	28.8	Very low	28.5	Very low	151 Å²	151	138 Å²	138	93%	0.926	78%	0.781	S	S	*	*			trans	75.4	157.2	151.8	-36.6	0	0	0	0	120.9
223	S	27.8	Very low	28.4	Very low	103 Å²	103	139.5 Å²	139.5	72%	0.72	79%	0.791	S	S	*	*			trans	-142.8	-151.8	178.4	67.6	0	0	0	0	109.9
224	P	37.3	Very low	28.3	Very low	115 Å²	115	139.7 Å²	139.7	75%	0.747	80%	0.795	S	S	*	*				-122.2	178.4	-52.6	39.3	-26.4	0	0	0	112.1
225	R	27.5	Very low	28.3	Very low	254 Å²	254	139 Å²	139	96%	0.958	80%	0.795	S	S	*	*			trans	-165.8	156.2	137.9	-145.2	158.5	-178.5	138.3	0.5	113.3
226	A	25.7	Very low	28.2	Very low	98 Å²	98	141.1 Å²	141.1	81%	0.81	81%	0.805	S	S	*	*			trans	-110.9	161.5	-177.5	0	0	0	0	0	113.9
227	A	29.6	Very low	27.9	Very low	106 Å²	106	142.9 Å²	142.9	88%	0.876	81%	0.809	S	S	*	*			trans	-146.5	145.7	159.1	0	0	0	0	0	108.7
228	A	24.1	Very low	27.8	Very low	102 Å²	102	142 Å²	142	84%	0.843	81%	0.814	S	S	*	*			trans	-118	150.3	-173.1	0	0	0	0	0	112.5
229	M	25.3	Very low	27.7	Very low	198 Å²	198	141.3 Å²	141.3	98%	0.975	82%	0.815	S	S	*	*			trans	-142.5	160.2	161.2	-108.2	-175	173.5	0	0	110.3
230	L	25.1	Very low	27.8	Very low	154 Å²	154	144.7 Å²	144.7	81%	0.806	82%	0.819	S	S	*	*			trans	-145.3	160.8	-157.6	-147.1	157.8	0	0	0	108.9
231	I	24.7	Very low	27.7	Very low	147 Å²	147	146 Å²	146	75%	0.754	82%	0.819	S	S	*	*			trans	80.2	130.5	176.7	-48.1	166.9	0	0	0	110.4
232	K	27	Very low	27.6	Very low	198 Å²	198	149.2 Å²	149.2	86%	0.861	83%	0.825	S	S	*	*			cis	-147.5	154.8	34.2	-145.2	153.5	-170.7	177.9	0	113.2
233	T	24.3	Very low	27.5	Very low	134 Å²	134	148 Å²	148	82%	0.822	82%	0.821	S	S	*	*			trans	-94.5	146.6	175.6	5.1	0	0	0	0	112.7
234	E	25.8	Very low	27.4	Very low	198 Å²	198	149 Å²	149	93%	0.925	82%	0.818	S	S	*	*			trans	-129.2	168.6	158.4	-69	-163.4	151.5	0	0	110
235	S	28.3	Very low	27.1	Very low	118 Å²	118	149.5 Å²	149.5	83%	0.825	82%	0.819	S	S	*	*			trans	-100.6	145.2	-148.1	53.7	0	0	0	0	117.1
236	E	27.1	Very low	27.2	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	81%	0.811	S	S	*	*			trans	-70.4	151.5	166.4	-59.6	-178.3	131.1	0	0	112.6	P238	E236-P238 WeakPolarHBondContact O-CD 3.25Å
237	D	28.1	Very low	27.2	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	81%	0.81	S	S	*	*			trans	-85.7	111.6	178.7	-179.4	5.2	0	0	0	111.9	N239	D237-N239 PolarHBondContact O-N 2.87Å; D237-N239 VanDerWaalsContact O-N 3.13Å
238	P	27.2	Very low	27.1	Very low	123 Å²	123	144.3 Å²	144.3	80%	0.799	80%	0.802	S	S	*	*			trans	-92	58	-169.8	38.3	-35.9	0	0	0	112.6	E236	E236-P238 WeakPolarHBondContact O-CD 3.25Å
239	N	30.6	Very low	27.2	Very low	143 Å²	143	147.2 Å²	147.2	77%	0.765	80%	0.798	S	S	*	*			trans	-133.3	34.4	-174.4	-127.1	-28.6	0	0	0	116.6	D237	D237-N239 PolarHBondContact O-N 2.87Å; D237-N239 VanDerWaalsContact O-N 3.13Å
240	Y	30.4	Very low	27.3	Very low	202 Å²	202	144.4 Å²	144.4	79%	0.792	78%	0.783	S	S	*	*	S	Bend	trans	-129.8	93.3	168.1	-157.6	-101.4	0	0	0	113.2
241	N	28.3	Very low	27.4	Very low	129 Å²	129	146.1 Å²	146.1	69%	0.69	78%	0.784	S	S	*	*	S	Bend	trans	65	61.4	161.5	-62.6	-65	0	0	0	119
242	V	27.1	Very low	27.6	Very low	132 Å²	132	144.5 Å²	144.5	80%	0.8	79%	0.786	S	S	*	*			trans	-129.8	105	151.8	-176.8	0	0	0	0	110.1	N244	V242-N244 HydrophobicContact CG1-CB 4.14Å
243	C	26.4	Very low	27.5	Very low	125 Å²	125	140 Å²	140	85%	0.845	79%	0.786	S	S	*	*			trans	-101.7	78.1	175.8	-164.8	0	0	0	0	110.2	V245	C243-V245 PolarHBondContact O-N 3.41Å
244	N	24.6	Very low	27.8	Very low	125 Å²	125	139.5 Å²	139.5	67%	0.668	79%	0.787	S	S	*	*			trans	-90.3	100.9	-175.4	-150.2	13.9	0	0	0	110.7	V242 Q246	V242-N244 HydrophobicContact CG1-CB 4.14Å; N244-Q246 PolarHBondContact O-N 3.18Å
245	V	31.6	Very low	27.9	Very low	126 Å²	126	134.7 Å²	134.7	76%	0.764	78%	0.776	S	S	*	*			trans	-91.9	83.2	178.5	-175.3	0	0	0	0	110	C243 G247	C243-V245 PolarHBondContact O-N 3.41Å; V245-G247 PolarHBondContact O-N 2.95Å
246	Q	29.1	Very low	28.1	Very low	170 Å²	170	136 Å²	136	79%	0.794	77%	0.773	S	S	*	*			trans	-76.4	96.2	164.7	-80.2	-179.3	-56.4	0	0	109.7	N244 S248	N244-Q246 PolarHBondContact O-N 3.18Å; Q246-S248 PolarHBondContact O-N 3.37Å
247	G	25.9	Very low	28.4	Very low	75 Å²	75	133.1 Å²	133.1	77%	0.773	77%	0.769	S	S	*	*			trans	-81.5	94.8	173	0	0	0	0	0	112	V245	V245-G247 PolarHBondContact O-N 2.95Å
248	S	27.6	Very low	28.6	Very low	103 Å²	103	133 Å²	133	72%	0.72	77%	0.773	S	S	*	*			trans	-93.8	99.9	174.8	58.3	0	0	0	0	112.8	Q246	Q246-S248 PolarHBondContact O-N 3.37Å
249	Q	26.9	Very low	28.7	Very low	163 Å²	163	130.4 Å²	130.4	76%	0.762	77%	0.769	S	S	*	*			trans	60.2	137.5	141	-52.8	177	-40.6	0	0	122.4
250	H	27.1	Very low	28.9	Very low	140 Å²	140	131.3 Å²	131.3	65%	0.648	77%	0.77	S	S	*	*			trans	109.8	134.9	142	-71.4	-65.8	0	0	0	120.9
251	F	28.1	Very low	28.9	Very low	189 Å²	189	130.1 Å²	130.1	83%	0.829	77%	0.772	S	S	*	*			trans	67	142.9	168.7	-46.9	-63.8	0	0	0	117.4
252	S	27.9	Very low	29	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	78%	0.78	S	S	*	*			cis	-161.7	164.1	-24.1	-108.7	0	0	0	0	109.1
253	A	25.6	Very low	29.5	Very low	103 Å²	103	131.2 Å²	131.2	85%	0.851	78%	0.779	S	S	*	*			trans	-86.8	154.7	-173.8	0	0	0	0	0	115.1
254	S	31.2	Very low	29.8	Very low	123 Å²	123	130 Å²	130	86%	0.86	77%	0.772	S	S	*	*			trans	-135.6	156	144.3	61.9	0	0	0	0	108.8
255	S	27.8	Very low	30.2	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	78%	0.783	S	S	*	*			trans	-116.6	-167.8	-160	58.7	0	0	0	0	114.4
256	D	30.8	Very low	30.2	Very low	144 Å²	144	136 Å²	136	77%	0.77	79%	0.788	S	S	*	*			trans	83.8	137.9	168.3	-42.6	-11.4	0	0	0	113.5
257	V	34.7	Very low	30.3	Very low	130 Å²	130	132.1 Å²	132.1	79%	0.788	78%	0.78	S	S	*	*			cis	-138.6	131.3	22.2	171.5	0	0	0	0	113.1
258	T	31.3	Very low	30.6	Very low	135 Å²	135	135 Å²	135	83%	0.828	78%	0.783	S	S	*	*			trans	29.2	129.7	144.3	-45.6	0	0	0	0	123.5
259	G	30.5	Very low	30.8	Very low	69 Å²	69	140.4 Å²	140.4	71%	0.711	79%	0.787	S	S	*	*			trans	178.3	130.3	155	0	0	0	0	0	115.6
260	M	34.8	Very low	30.8	Very low	163 Å²	163	140.7 Å²	140.7	80%	0.803	79%	0.791	S	S	*	*			trans	-51.6	160.5	176.9	-77.2	83.1	165.4	0	0	115.8
261	E	30.4	Very low	31	Very low	177 Å²	177	140.5 Å²	140.5	83%	0.827	80%	0.799	S	S	*	*			cis	-157.2	-180	6.6	-124	158.7	174.4	0	0	112.6
262	L	29.6	Very low	30.8	Very low	163 Å²	163	135.9 Å²	135.9	85%	0.853	80%	0.796	S	S	*	*			trans	-128.1	-153.3	-172.6	-73.5	165.3	0	0	0	113.6
263	P	37.4	Very low	30.9	Very low	120 Å²	120	138.8 Å²	138.8	78%	0.779	80%	0.801	S	S	*	*				-137	-171.3	-99.2	45.7	-27.3	0	0	0	116.6
264	S	32.8	Very low	30.9	Very low	101 Å²	101	142 Å²	142	71%	0.706	80%	0.799	S	S	*	*			trans	-163.1	119	155.9	57.3	0	0	0	0	109.7
265	E	34.3	Very low	30.8	Very low	190 Å²	190	141.7 Å²	141.7	89%	0.888	79%	0.792	S	S	*	*				65.3	137.3	91.3	-63.2	-172.9	151.3	0	0	114.2
266	E	31.6	Very low	30.9	Very low	185 Å²	185	143 Å²	143	86%	0.864	79%	0.791	S	S	*	*			cis	-130	-169.8	14.4	-74.4	-166.8	87.2	0	0	113.3
267	S	30.2	Very low	31	Very low	90 Å²	90	143.7 Å²	143.7	63%	0.629	79%	0.79	S	S	*	*			cis	155.6	73.6	-47.2	-169	0	0	0	0	114.9
268	T	32.2	Very low	30.9	Very low	136 Å²	136	144.7 Å²	144.7	83%	0.834	79%	0.791	S	S	*	*			trans	-160.1	103.8	167.1	-71.8	0	0	0	0	109.6
269	R	31.6	Very low	31.4	Very low	215 Å²	215	142.9 Å²	142.9	81%	0.811	78%	0.781	S	S	*	*				59.6	98.2	70.8	-72.4	-169.2	174.5	-179.5	0.5	114.2
270	M	27.5	Very low	31.6	Very low	170 Å²	170	147.9 Å²	147.9	84%	0.837	79%	0.786	S	S	*	*				90.9	125	83.2	-88.6	-171	76.7	0	0	114
271	V	30.1	Very low	31.5	Very low	135 Å²	135	147.3 Å²	147.3	82%	0.818	79%	0.792	S	S	*	*				174	146.2	121.4	151.4	0	0	0	0	108.8
272	A	24.2	Very low	31.5	Very low	93 Å²	93	146.3 Å²	146.3	77%	0.769	79%	0.787	S	S	*	*			trans	-140.9	144.1	168.9	0	0	0	0	0	109.4
273	L	30.9	Very low	31.7	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	79%	0.79	S	S	*	*			trans	-168.4	163.6	166.1	-110.4	153.7	0	0	0	109.8
274	E	25.3	Very low	31.5	Very low	171 Å²	171	147 Å²	147	80%	0.799	78%	0.783	S	S	*	*			trans	-119.4	-175.7	-160.2	-57.1	179	121.8	0	0	113.4
275	T	29	Very low	31.7	Very low	115 Å²	115	150.8 Å²	150.8	71%	0.706	79%	0.792	S	S	*	*			trans	82.1	121.8	156.6	57.3	0	0	0	0	121.3
276	N	30.7	Very low	31.5	Very low	125 Å²	125	150.2 Å²	150.2	67%	0.668	79%	0.789	S	S	*	*			trans	67.1	149.5	134.9	-61	32.9	0	0	0	120.5
277	E	32.1	Very low	31.6	Very low	160 Å²	160	144.5 Å²	144.5	75%	0.748	78%	0.781	S	S	*	*			cis	-164.5	139.4	-14.1	-111.9	165.7	151	0	0	109.2
278	D	32.8	Very low	31.5	Very low	151 Å²	151	148.4 Å²	148.4	81%	0.807	79%	0.794	S	S	*	*			trans	44.2	172.1	136	-93.8	21.6	0	0	0	124.3
279	P	42.6	Very low	31.6	Very low	97 Å²	97	146.3 Å²	146.3	63%	0.63	79%	0.79	S	S	*	*			cis	-140.6	-162.7	-26.4	37.6	-17.1	0	0	0	115.4
280	E	34	Very low	31.5	Very low	173 Å²	173	141.5 Å²	141.5	81%	0.808	79%	0.79	S	S	*	*			trans	83.5	112.3	145.8	-82.4	177.6	-168.5	0	0	123.7
281	T	33.4	Very low	31.8	Very low	152 Å²	152	139.2 Å²	139.2	93%	0.933	79%	0.788	S	S	*	*				-166.6	148.2	110.3	12.1	0	0	0	0	113.6
282	E	29.9	Very low	31.8	Very low	155 Å²	155	137 Å²	137	72%	0.724	78%	0.778	S	S	*	*			trans	-87.8	170.3	-167.5	-54.1	177.7	94.9	0	0	116.7
283	V	34.3	Very low	32	Very low	151 Å²	151	139.3 Å²	139.3	92%	0.915	78%	0.778	S	S	*	*				-164.5	154.5	116.5	150.1	0	0	0	0	109.9
284	K	32.4	Very low	32	Very low	147 Å²	147	138.8 Å²	138.8	64%	0.639	78%	0.775	S	S	*	*			trans	-106.9	156.8	-162.4	-63.3	173.3	176.5	176.3	0	116.9
285	M	35.9	Very low	32	Very low	181 Å²	181	136.3 Å²	136.3	89%	0.892	77%	0.771	S	S	*	*				-180	106.6	120.7	-92.6	-174	-168.2	0	0	108.1
286	E	31.7	Very low	31.8	Very low	177 Å²	177	137.8 Å²	137.8	83%	0.827	78%	0.775	S	S	*	*				64.6	122.3	85.2	-72.7	-172.3	-169.1	0	0	115.5
287	G	31.9	Very low	31.5	Very low	66 Å²	66	137 Å²	137	68%	0.68	78%	0.779	S	S	*	*			cis	171.7	-177.8	-6.4	0	0	0	0	0	115.7
288	N	29.9	Very low	31.2	Very low	172 Å²	172	134.1 Å²	134.1	92%	0.92	78%	0.783	S	S	*	*			trans	61.2	136.1	163.1	-69.4	-15.1	0	0	0	119.7
289	A	32.7	Very low	31	Very low	91 Å²	91	132 Å²	132	75%	0.752	79%	0.787	S	S	*	*			cis	-149.7	163.1	2.4	0	0	0	0	0	113.4
290	S	29.4	Very low	30.4	Very low	114 Å²	114	131.1 Å²	131.1	80%	0.797	80%	0.795	S	S	*	*			trans	-130.3	163.1	168	-46.9	0	0	0	0	108.2
291	P	34.4	Very low	30.3	Very low	122 Å²	122	127.7 Å²	127.7	79%	0.792	79%	0.785	S	S	*	*				-147.9	176.3	79.1	25.5	-1.9	0	0	0	113.7
292	S	30.8	Very low	30.4	Very low	88 Å²	88	129.2 Å²	129.2	62%	0.615	78%	0.782	S	S	*	*			cis	164.8	146.7	-25.4	64.5	0	0	0	0	106.8
293	N	28.4	Very low	31	Very low	143 Å²	143	128.3 Å²	128.3	77%	0.765	78%	0.782	S	S	*	*			trans	73.2	108.5	160	-49.6	-22.9	0	0	0	120.2
294	L	30.7	Very low	31.3	Very low	163 Å²	163	123 Å²	123	85%	0.853	75%	0.748	S	S	*	*				179	101.8	109.6	-98.2	157.1	0	0	0	114.3
295	V	25.2	Very low	32	Very low	119 Å²	119	122.5 Å²	122.5	72%	0.721	74%	0.742	S	S	*	*			trans	24	130.7	136.6	-178.5	0	0	0	0	121.1
296	N	25.6	Very low	32.4	Very low	147 Å²	147	117.6 Å²	117.6	79%	0.786	72%	0.719	S	S	*	*			trans	104.1	127.9	154.9	-75.3	-19.2	0	0	0	122
297	S	23.9	Very low	33.4	Very low	107 Å²	107	111.7 Å²	111.7	75%	0.748	69%	0.693	S	S	*	*			trans	59.2	111.3	138.8	-61	0	0	0	0	123.7
298	A	26.1	Very low	34	Very low	101 Å²	101	114 Å²	114	84%	0.835	69%	0.686	S	S	*	*			trans	70.6	174.5	137.2	0	0	0	0	0	119.2
299	A	27.6	Very low	34.6	Very low	107 Å²	107	107.5 Å²	107.5	88%	0.884	65%	0.652	S	S	*	*			trans	65.3	140	-174.6	0	0	0	0	0	116.6
300	G	29.9	Very low	34.7	Very low	78 Å²	78	109.2 Å²	109.2	80%	0.804	65%	0.653	S	S	*	*			trans	-153.9	52.5	178.2	0	0	0	0	0	110.3
301	V	31.7	Very low	35	Very low	100 Å²	100	108.9 Å²	108.9	61%	0.606	65%	0.646	S	S	*	*			trans	-143.7	66.9	-174.5	-168.8	0	0	0	0	110.6	K33	K33-V301 HydrophobicContact CG-CG1 4.4Å
302	E	36.3	Very low	35.1	Very low	184 Å²	184	107.5 Å²	107.5	86%	0.86	65%	0.645	S	S	*	*			trans	-151.7	141	171.1	-95.9	149	-150	0	0	106.2
303	D	42.3	Very low	35.2	Very low	136 Å²	136	110.4 Å²	110.4	73%	0.727	65%	0.654	S	S	*	*			cis	-116.9	156.7	0.5	-77.1	-46.1	0	0	0	112.3
304	L	39.7	Very low	35.7	Very low	40 Å²	40	109.2 Å²	109.2	21%	0.209	65%	0.648	C	S	.	*	P	Polyproline II helix	trans	-102.5	139.6	157	-86.1	115.1	0	0	0	109.9	E29 C32 K33 V55 G56	E29-L304 HydrophobicContact CG-CB 4.46Å; C32-L304 HydrophobicContact CB-CD2 3.55Å; K33-L304 HydrophobicContact CD-CD1 4.04Å; K33-L304 HydrophobicContact CG-CD1 3.39Å; V55-L304 HydrophobicContact CG1-CD2 3.95Å; G56-L304 WeakPolarHBondContact O-CD2 3.31Å
305	R	47.7	Very low	36.6	Very low	136 Å²	136	105.7 Å²	105.7	51%	0.513	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	120.7	172.5	-65.7	-167.8	-172.9	139.2	16.4	110.5	E58 I307	E58-R305 IonicContact OE1-CZ 3.21Å; E58-R305 IonicContact OE1-NH1 3.8Å; E58-R305 PolarHBondContact OE1-NH1 3.37Å; E58-R305 IonicContact OE1-NH2 3.2Å; E58-R305 PolarHBondContact OE1-NH2 3.22Å; R305-I307 HydrophobicContact CB-CD1 4.38Å; R305-I307 HydrophobicContact CB-CG1 4.33Å
306	I	45	Very low	37.3	Very low	78 Å²	78	109.1 Å²	109.1	40%	0.4	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.9	130	158.4	-56.7	170.1	0	0	0	107.2	M25 Y53 V54 V55	M25-I306 HydrophobicContact CB-CD1 3.95Å; M25-I306 HydrophobicContact CG-CD1 4.1Å; M25-I306 HydrophobicContact SD-CD1 4.44Å; M25-I306 HydrophobicContact SD-CG1 4.46Å; M25-I306 HydrophobicContact SD-CG2 3.91Å; Y53-I306 HydrophobicContact CD1-CG2 4.43Å; V54-I306 WeakPolarHBondContact O-CA 3.09Å; V55-I306 HydrophobicContact CG2-CG1 4.24Å
307	I	52.4	Low	38.1	Very low	54 Å²	54	108.6 Å²	108.6	28%	0.277	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.7	125.6	174.3	-60.8	172.7	0	0	0	108.6	V54 N65 R305 V309	V54-I307 PolarHBondContact N-O 3.46Å; V54-I307 PolarHBondContact O-N 2.85Å; N65-I307 VanDerWaalsContact ND2-CD1 3.33Å; N65-I307 WeakPolarHBondContact ND2-CD1 3.39Å; R305-I307 HydrophobicContact CB-CD1 4.38Å; R305-I307 HydrophobicContact CB-CG1 4.33Å; I307-V309 HydrophobicContact CG2-CG2 3.83Å
308	Q	45	Very low	39.1	Very low	115 Å²	115	114.2 Å²	114.2	54%	0.537	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	135.5	169.9	-176.7	-178.4	6.6	0	0	108.2	D51	D51-Q308 PolarHBondContact OD1-NE2 3.27Å; D51-Q308 PolarHBondContact OD2-NE2 3.13Å; D51-Q308 VanDerWaalsContact OD2-NE2 3.1Å
309	V	42.1	Very low	40	Very low	35 Å²	35	113.7 Å²	113.7	21%	0.212	61%	0.612	C	S	.	*			trans	-130.8	112.9	-176.5	-175.1	0	0	0	0	110.9	I307	I307-V309 HydrophobicContact CG2-CG2 3.83Å
310	T	35.1	Very low	41.3	Very low	127 Å²	127	111.6 Å²	111.6	78%	0.779	59%	0.591	S	S	*	*			trans	-83.1	132.4	165	45.2	0	0	0	0	109.9
311	V	36.2	Very low	42.9	Very low	106 Å²	106	109.5 Å²	109.5	64%	0.642	57%	0.57	S	S	*	*			trans	-98.2	126.8	-175.3	-178.3	0	0	0	0	110.3
312	A	35.1	Very low	44.6	Very low	94 Å²	94	110.4 Å²	110.4	78%	0.777	57%	0.57	S	S	*	*			trans	-126.3	142	175.2	0	0	0	0	0	110.9	N314	A312-N314 PolarHBondContact O-N 2.91Å
313	D	34.1	Very low	46.3	Very low	149 Å²	149	105.4 Å²	105.4	80%	0.797	55%	0.547	S	S	*	.			trans	-73	120	-170.9	-83.3	-55.9	0	0	0	114.1
314	N	38.1	Very low	47.9	Very low	118 Å²	118	105 Å²	105	63%	0.631	54%	0.539	S	S	*	.			trans	-155.6	25.3	160.1	-126.2	-3.6	0	0	0	115.5	E215 A312 K316	E215-N314 PolarHBondContact OE1-ND2 3.29Å; A312-N314 PolarHBondContact O-N 2.91Å; N314-K316 PolarHBondContact O-N 2.77Å
315	E	48.7	Very low	49.9	Very low	88 Å²	88	105.7 Å²	105.7	41%	0.411	54%	0.542	S	S	.	.			trans	-73.8	-21.2	-164.2	-62.1	-159.8	87.1	0	0	117.3	K72 E317 R318 L319	K72-E315 IonicContact NZ-OE2 3.63Å; E315-E317 PolarHBondContact O-N 3.31Å; E315-E317 VanDerWaalsContact O-N 3.11Å; E315-R318 PolarHBondContact O-N 3.25Å; E315-L319 HydrophobicContact CB-CD1 3.9Å; E315-L319 HydrophobicContact CB-CG 4.32Å
316	K	41.2	Very low	51.5	Low	192 Å²	192	103.6 Å²	103.6	84%	0.835	54%	0.537	S	S	*	.	H	α-helix	trans	-59.1	-33.5	-154.2	-90	-179.5	176.9	171	0	117.1	N314	N314-K316 PolarHBondContact O-N 2.77Å
317	E	41.8	Very low	53.4	Low	136 Å²	136	104.3 Å²	104.3	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-82.4	-38.8	-178.4	-73	-167.1	136.7	0	0	113.5	E315 L319 S320	E315-E317 PolarHBondContact O-N 3.31Å; E315-E317 VanDerWaalsContact O-N 3.11Å; E317-L319 VanDerWaalsContact C-N 3.33Å; E317-L319 PolarHBondContact O-N 2.96Å; E317-S320 WeakPolarHBondContact O-CB 3.27Å; E317-S320 PolarHBondContact O-N 3.29Å; E317-S320 PolarHBondContact O-OG 2.85Å
318	R	45.1	Very low	55.1	Low	225 Å²	225	102.7 Å²	102.7	85%	0.849	53%	0.53	S	S	*	.	H	α-helix	trans	-63.4	-37.7	-178.3	-103.8	-176.5	164.5	120.3	-3.3	112.5	E315 S320 G321	E315-R318 PolarHBondContact O-N 3.25Å; R318-S320 PolarHBondContact O-N 3.41Å; R318-G321 PolarHBondContact O-N 3.37Å
319	L	45	Very low	57.3	Low	90 Å²	90	102.2 Å²	102.2	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-55.7	-35.9	176.8	-66.7	170	0	0	0	112.3	E315 E317 G321 L322 E323	E315-L319 HydrophobicContact CB-CD1 3.9Å; E315-L319 HydrophobicContact CB-CG 4.32Å; E317-L319 VanDerWaalsContact C-N 3.33Å; E317-L319 PolarHBondContact O-N 2.96Å; L319-G321 VanDerWaalsContact C-N 3.26Å; L319-G321 PolarHBondContact O-N 3.46Å; L319-L322 PolarHBondContact O-N 3.17Å; L319-E323 PolarHBondContact O-N 3.37Å
320	S	54.6	Low	59.6	Low	62 Å²	62	105.4 Å²	105.4	43%	0.434	54%	0.536	S	S	.	.	H	α-helix	trans	-65.4	-23.9	-177.2	79.4	0	0	0	0	114.6	E317 R318 K324	E317-S320 WeakPolarHBondContact O-CB 3.27Å; E317-S320 PolarHBondContact O-N 3.29Å; E317-S320 PolarHBondContact O-OG 2.85Å; R318-S320 PolarHBondContact O-N 3.41Å; S320-K324 VanDerWaalsContact O-CD 3.26Å; S320-K324 WeakPolarHBondContact O-CD 3.32Å; S320-K324 VanDerWaalsContact O-CG 3.32Å; S320-K324 WeakPolarHBondContact O-CG 3.47Å
321	G	63.9	Low	62.3	Low	35 Å²	35	104.2 Å²	104.2	36%	0.361	52%	0.521	S	S	.	.	H	α-helix	trans	-82.9	-42.4	176	0	0	0	0	0	112.4	R318 L319 K324 I325	R318-G321 PolarHBondContact O-N 3.37Å; L319-G321 VanDerWaalsContact C-N 3.26Å; L319-G321 PolarHBondContact O-N 3.46Å; G321-K324 PolarHBondContact O-N 3.41Å; G321-I325 WeakPolarHBondContact O-CG1 3.24Å; G321-I325 PolarHBondContact O-N 3.02Å
322	L	68	Low	65.1	Low	118 Å²	118	99.1 Å²	99.1	62%	0.618	49%	0.491	S	S	*	.	H	α-helix	trans	-64.6	-43.3	177.3	-80.9	158.6	0	0	0	111.8	L319 K324 I325 K326	L319-L322 PolarHBondContact O-N 3.17Å; L322-K324 VanDerWaalsContact C-N 3.32Å; L322-K324 PolarHBondContact O-N 2.98Å; L322-I325 PolarHBondContact O-N 3.03Å; L322-I325 VanDerWaalsContact O-N 3.09Å; L322-K326 PolarHBondContact O-N 3.48Å
323	E	72.2	Confident	67.9	Low	79 Å²	79	97.9 Å²	97.9	37%	0.369	47%	0.471	S	S	.	.	H	α-helix	trans	-64.2	-36.6	-179.5	-162.1	60.6	-156.7	0	0	112	L319 I325 K326 Q327	L319-E323 PolarHBondContact O-N 3.37Å; E323-I325 VanDerWaalsContact C-N 3.33Å; E323-I325 PolarHBondContact O-N 3.42Å; E323-K326 WeakPolarHBondContact O-CB 3.47Å; E323-K326 PolarHBondContact O-N 3.4Å; E323-K326 IonicContact OE1-NZ 3.6Å; E323-K326 PolarHBondContact OE1-NZ 2.92Å; E323-K326 IonicContact OE2-NZ 2.75Å; E323-K326 PolarHBondContact OE2-NZ 3.05Å; E323-Q327 WeakPolarHBondContact O-CB 3.21Å; E323-Q327 VanDerWaalsContact O-CG 3.29Å; E323-Q327 WeakPolarHBondContact O-CG 3.4Å; E323-Q327 PolarHBondContact O-N 3.45Å
324	K	76	Confident	70.7	Confident	129 Å²	129	93.7 Å²	93.7	56%	0.561	45%	0.449	S	S	*	.	H	α-helix	trans	-63.9	-35.4	173	-72.4	168.5	-173.8	162.2	0	112.8	S320 G321 L322 L328	S320-K324 VanDerWaalsContact O-CD 3.26Å; S320-K324 WeakPolarHBondContact O-CD 3.32Å; S320-K324 VanDerWaalsContact O-CG 3.32Å; S320-K324 WeakPolarHBondContact O-CG 3.47Å; G321-K324 PolarHBondContact O-N 3.41Å; L322-K324 VanDerWaalsContact C-N 3.32Å; L322-K324 PolarHBondContact O-N 2.98Å; K324-L328 WeakPolarHBondContact O-CB 3.35Å; K324-L328 PolarHBondContact O-N 3.48Å; K324-L328 VanDerWaalsContact O-N 3.12Å
325	I	80.2	Confident	73.4	Confident	53 Å²	53	88.3 Å²	88.3	27%	0.272	42%	0.42	S	S	.	.	H	α-helix	trans	-71.9	-38	176.7	-65.1	167.2	0	0	0	110.6	G321 L322 E323 R329 I383	G321-I325 WeakPolarHBondContact O-CG1 3.24Å; G321-I325 PolarHBondContact O-N 3.02Å; L322-I325 PolarHBondContact O-N 3.03Å; L322-I325 VanDerWaalsContact O-N 3.09Å; E323-I325 VanDerWaalsContact C-N 3.33Å; E323-I325 PolarHBondContact O-N 3.42Å; I325-R329 WeakPolarHBondContact O-CG 3.47Å; I325-R329 PolarHBondContact O-N 2.97Å; I325-R329 VanDerWaalsContact O-N 3.12Å; I325-I383 HydrophobicContact CD1-CD1 3.87Å; I325-I383 HydrophobicContact CG1-CD1 3.77Å; I325-I383 HydrophobicContact CG1-CG1 4.24Å
326	K	81.8	Confident	75.7	Confident	93 Å²	93	84.1 Å²	84.1	40%	0.404	40%	0.4	S	S	.	.	H	α-helix	trans	-63.6	-50.1	174.2	174.5	179.4	157.1	-140.2	0	111.4	L322 E323 L328 R329 E330	L322-K326 PolarHBondContact O-N 3.48Å; E323-K326 WeakPolarHBondContact O-CB 3.47Å; E323-K326 PolarHBondContact O-N 3.4Å; E323-K326 IonicContact OE1-NZ 3.6Å; E323-K326 PolarHBondContact OE1-NZ 2.92Å; E323-K326 IonicContact OE2-NZ 2.75Å; E323-K326 PolarHBondContact OE2-NZ 3.05Å; K326-L328 VanDerWaalsContact C-N 3.33Å; K326-L328 PolarHBondContact O-N 3.34Å; K326-R329 WeakPolarHBondContact O-CB 3.47Å; K326-R329 PolarHBondContact O-N 3.46Å; K326-E330 VanDerWaalsContact CE-OE1 3.24Å; K326-E330 WeakPolarHBondContact CE-OE1 3.37Å; K326-E330 VanDerWaalsContact CG-OE1 3.26Å; K326-E330 WeakPolarHBondContact CG-OE1 3.37Å; K326-E330 WeakPolarHBondContact O-CG 3.22Å; K326-E330 PolarHBondContact O-N 3.37Å
327	Q	84.3	Confident	78.2	Confident	93 Å²	93	75.2 Å²	75.2	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-55.2	-44.6	174.2	-72.7	170.9	-2.4	0	0	112.5	E323 R329 E330 Q331	E323-Q327 WeakPolarHBondContact O-CB 3.21Å; E323-Q327 VanDerWaalsContact O-CG 3.29Å; E323-Q327 WeakPolarHBondContact O-CG 3.4Å; E323-Q327 PolarHBondContact O-N 3.45Å; Q327-R329 VanDerWaalsContact C-N 3.33Å; Q327-R329 PolarHBondContact O-N 3.34Å; Q327-E330 PolarHBondContact O-N 3.33Å; Q327-Q331 WeakPolarHBondContact O-CB 3.44Å; Q327-Q331 VanDerWaalsContact O-CG 3.28Å; Q327-Q331 WeakPolarHBondContact O-CG 3.36Å; Q327-Q331 PolarHBondContact O-N 2.98Å
328	L	88.9	Confident	80.7	Confident	19 Å²	19	73.8 Å²	73.8	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-38.5	175.3	-93	159.1	0	0	0	113.1	K324 K326 V332 I383 M386 R387 L390	K324-L328 WeakPolarHBondContact O-CB 3.35Å; K324-L328 PolarHBondContact O-N 3.48Å; K324-L328 VanDerWaalsContact O-N 3.12Å; K326-L328 VanDerWaalsContact C-N 3.33Å; K326-L328 PolarHBondContact O-N 3.34Å; L328-V332 WeakPolarHBondContact O-CG2 3.26Å; L328-V332 PolarHBondContact O-N 2.8Å; L328-V332 VanDerWaalsContact O-N 3.16Å; L328-I383 HydrophobicContact CD1-CG2 4.06Å; L328-M386 HydrophobicContact CB-CE 4.19Å; L328-M386 HydrophobicContact CB-SD 4.41Å; L328-M386 HydrophobicContact CD2-CB 4.19Å; L328-R387 HydrophobicContact CD2-CG 3.95Å; L328-L390 HydrophobicContact CD2-CD1 3.77Å
329	R	91	Very high	83	Confident	106 Å²	106	64.3 Å²	64.3	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-68.9	-39.7	176.1	-75	172.7	164.7	174	-2.1	112.1	I325 K326 Q327 N333 P378 G379 M386	I325-R329 WeakPolarHBondContact O-CG 3.47Å; I325-R329 PolarHBondContact O-N 2.97Å; I325-R329 VanDerWaalsContact O-N 3.12Å; K326-R329 WeakPolarHBondContact O-CB 3.47Å; K326-R329 PolarHBondContact O-N 3.46Å; Q327-R329 VanDerWaalsContact C-N 3.33Å; Q327-R329 PolarHBondContact O-N 3.34Å; R329-N333 VanDerWaalsContact O-CB 3.29Å; R329-N333 WeakPolarHBondContact O-CB 3.18Å; R329-N333 PolarHBondContact O-N 3.44Å; R329-P378 HydrophobicContact CB-CB 4.08Å; R329-P378 HydrophobicContact CG-CB 4.12Å; R329-P378 PolarHBondContact NE-O 2.91Å; R329-G379 PolarHBondContact NH2-O 3.28Å; R329-M386 HydrophobicContact CB-SD 4.33Å; R329-M386 HydrophobicContact CG-CE 3.99Å; R329-M386 HydrophobicContact CG-SD 3.55Å; R329-M386 VanDerWaalsContact CG-SD 3.55Å
330	E	89.9	Confident	85.3	Confident	102 Å²	102	60.2 Å²	60.2	48%	0.477	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-47.7	177	-72.1	164.8	-176.7	0	0	110.9	K326 Q327 V332 N333 D334	K326-E330 VanDerWaalsContact CE-OE1 3.24Å; K326-E330 WeakPolarHBondContact CE-OE1 3.37Å; K326-E330 VanDerWaalsContact CG-OE1 3.26Å; K326-E330 WeakPolarHBondContact CG-OE1 3.37Å; K326-E330 WeakPolarHBondContact O-CG 3.22Å; K326-E330 PolarHBondContact O-N 3.37Å; Q327-E330 PolarHBondContact O-N 3.33Å; E330-V332 PolarHBondContact O-N 2.87Å; E330-N333 PolarHBondContact O-N 2.94Å; E330-D334 WeakPolarHBondContact O-CB 3.47Å; E330-D334 PolarHBondContact O-N 2.98Å
331	Q	92	Very high	86.9	Confident	101 Å²	101	57.2 Å²	57.2	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-56.2	-46.6	175.5	-74.9	174	-22.1	0	0	112.8	Q327 L335 L390	Q327-Q331 WeakPolarHBondContact O-CB 3.44Å; Q327-Q331 VanDerWaalsContact O-CG 3.28Å; Q327-Q331 WeakPolarHBondContact O-CG 3.36Å; Q327-Q331 PolarHBondContact O-N 2.98Å; Q331-L335 WeakPolarHBondContact O-CB 3.48Å; Q331-L335 PolarHBondContact O-N 3.15Å; Q331-L390 HydrophobicContact CB-CD1 4.03Å; Q331-L390 HydrophobicContact CB-CD2 3.95Å
332	V	95.1	Very high	88.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.1	-35.4	178.4	177	0	0	0	0	111.7	L328 E330 F336 P378 L381 M386 I389 L390	L328-V332 WeakPolarHBondContact O-CG2 3.26Å; L328-V332 PolarHBondContact O-N 2.8Å; L328-V332 VanDerWaalsContact O-N 3.16Å; E330-V332 PolarHBondContact O-N 2.87Å; V332-F336 HydrophobicContact CG1-CD2 3.66Å; V332-F336 HydrophobicContact CG1-CE2 3.42Å; V332-F336 VanDerWaalsContact CG1-CE2 3.42Å; V332-F336 HydrophobicContact CG1-CZ 4.11Å; V332-F336 WeakPolarHBondContact O-CD2 3.48Å; V332-F336 WeakPolarHBondContact O-CG 3.48Å; V332-F336 PolarHBondContact O-N 3.35Å; V332-P378 HydrophobicContact CB-CG 4.1Å; V332-P378 HydrophobicContact CG1-CG 3.87Å; V332-L381 HydrophobicContact CG1-CD1 4.25Å; V332-M386 HydrophobicContact CG2-CB 3.81Å; V332-M386 HydrophobicContact CG2-CG 4.05Å; V332-I389 HydrophobicContact CG1-CD1 4.47Å; V332-I389 HydrophobicContact CG1-CG2 3.8Å; V332-I389 HydrophobicContact CG2-CG2 4.22Å; V332-L390 HydrophobicContact CG2-CD1 4.17Å; V332-L390 HydrophobicContact CG2-CD2 3.95Å; V332-L390 HydrophobicContact CG2-CG 3.83Å
333	N	94.1	Very high	89.1	Confident	68 Å²	68	56.4 Å²	56.4	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-41	176.2	-173	75.2	0	0	0	112	R329 E330 S337 Y354 P378	R329-N333 VanDerWaalsContact O-CB 3.29Å; R329-N333 WeakPolarHBondContact O-CB 3.18Å; R329-N333 PolarHBondContact O-N 3.44Å; E330-N333 PolarHBondContact O-N 2.94Å; N333-S337 VanDerWaalsContact O-CB 3.24Å; N333-S337 WeakPolarHBondContact O-CB 3.41Å; N333-S337 PolarHBondContact O-N 3.14Å; N333-S337 PolarHBondContact O-OG 2.86Å; N333-Y354 PolarHBondContact OD1-OH 3.05Å; N333-P378 HydrophobicContact CB-CG 4.05Å
334	D	92.6	Very high	89.6	Confident	61 Å²	61	54.6 Å²	54.6	33%	0.326	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-47.6	175	172.2	62.8	0	0	0	111.5	E330 F336 S337 R338	E330-D334 WeakPolarHBondContact O-CB 3.47Å; E330-D334 PolarHBondContact O-N 2.98Å; D334-F336 PolarHBondContact O-N 2.74Å; D334-S337 PolarHBondContact O-N 2.69Å; D334-R338 PolarHBondContact O-N 3.05Å; D334-R338 IonicContact OD1-NE 2.6Å; D334-R338 PolarHBondContact OD1-NE 3.36Å; D334-R338 IonicContact OD2-CZ 2.79Å; D334-R338 IonicContact OD2-NE 2.88Å; D334-R338 PolarHBondContact OD2-NE 3.33Å; D334-R338 IonicContact OD2-NH2 2.63Å; D334-R338 PolarHBondContact OD2-NH2 3.42Å
335	L	95.9	Very high	89.9	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-52.9	-53.3	174.4	172.4	61.8	0	0	0	111.6	Q331 S337 R338 K339 I389 L390 A393 I396	Q331-L335 WeakPolarHBondContact O-CB 3.48Å; Q331-L335 PolarHBondContact O-N 3.15Å; L335-S337 VanDerWaalsContact C-N 3.3Å; L335-S337 PolarHBondContact O-N 2.79Å; L335-R338 PolarHBondContact O-N 2.93Å; L335-K339 HydrophobicContact CD1-CG 3.89Å; L335-K339 WeakPolarHBondContact O-CB 3.41Å; L335-K339 VanDerWaalsContact O-CG 3.29Å; L335-K339 WeakPolarHBondContact O-CG 3.44Å; L335-K339 PolarHBondContact O-N 3.34Å; L335-I389 HydrophobicContact CD2-CG2 3.92Å; L335-L390 HydrophobicContact CD2-CD2 4.06Å; L335-A393 HydrophobicContact CD1-CB 3.73Å; L335-A393 HydrophobicContact CD2-CB 3.72Å; L335-A393 HydrophobicContact CG-CB 4.4Å; L335-I396 HydrophobicContact CD2-CD1 4.36Å
336	F	96.4	Very high	89.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-34.3	177.8	-70.4	-39.1	0	0	0	112.2	V332 D334 F340 V352 Y354 M369 F375 L381 I389 I396 F398	V332-F336 HydrophobicContact CG1-CD2 3.66Å; V332-F336 HydrophobicContact CG1-CE2 3.42Å; V332-F336 VanDerWaalsContact CG1-CE2 3.42Å; V332-F336 HydrophobicContact CG1-CZ 4.11Å; V332-F336 WeakPolarHBondContact O-CD2 3.48Å; V332-F336 WeakPolarHBondContact O-CG 3.48Å; V332-F336 PolarHBondContact O-N 3.35Å; D334-F336 PolarHBondContact O-N 2.74Å; F336-F340 WeakPolarHBondContact O-CB 3.25Å; F336-F340 PolarHBondContact O-N 2.87Å; F336-V352 VanDerWaalsContact C-CG2 3.43Å; F336-V352 HydrophobicContact CB-CG2 3.94Å; F336-V352 VanDerWaalsContact O-CG2 3.31Å; F336-V352 WeakPolarHBondContact O-CG2 3.47Å; F336-Y354 HydrophobicContact CB-CE1 4.42Å; F336-Y354 AromaticContact CD2-CE1 3.78Å; F336-Y354 HydrophobicContact CD2-CE1 3.78Å; F336-Y354 HydrophobicContact CE2-CE1 4.4Å; F336-Y354 HydrophobicContact CG-CE1 4.44Å; F336-M369 HydrophobicContact CE1-SD 4Å; F336-M369 HydrophobicContact CZ-CE 4.48Å; F336-M369 HydrophobicContact CZ-SD 4.11Å; F336-F375 HydrophobicContact CD1-CE2 4.13Å; F336-F375 HydrophobicContact CD2-CE2 4.08Å; F336-F375 HydrophobicContact CE1-CD2 4.03Å; F336-F375 HydrophobicContact CE1-CE2 4.07Å; F336-F375 HydrophobicContact CE2-CD2 4.15Å; F336-F375 HydrophobicContact CE2-CE2 4.01Å; F336-F375 HydrophobicContact CG-CE2 4.14Å; F336-F375 AromaticContact CZ-CD2 3.81Å; F336-F375 HydrophobicContact CZ-CD2 3.81Å; F336-F375 AromaticContact CZ-CE2 3.99Å; F336-F375 HydrophobicContact CZ-CE2 3.99Å; F336-L381 HydrophobicContact CE2-CD1 4.31Å; F336-I389 HydrophobicContact CE1-CG2 4.05Å; F336-I389 HydrophobicContact CE2-CD1 4.45Å; F336-I389 HydrophobicContact CE2-CG2 4.48Å; F336-I389 HydrophobicContact CZ-CD1 3.97Å; F336-I389 HydrophobicContact CZ-CG1 4.42Å; F336-I389 HydrophobicContact CZ-CG2 3.84Å; F336-I396 HydrophobicContact CD1-CG2 4.4Å; F336-I396 HydrophobicContact CE1-CD1 4.37Å; F336-I396 HydrophobicContact CE1-CG2 4.32Å; F336-F398 HydrophobicContact CB-CE2 4.47Å; F336-F398 HydrophobicContact CB-CZ 4.18Å; F336-F398 AromaticContact CD1-CE2 3.91Å; F336-F398 HydrophobicContact CD1-CE2 3.91Å; F336-F398 AromaticContact CD1-CZ 3.87Å; F336-F398 HydrophobicContact CD1-CZ 3.87Å; F336-F398 HydrophobicContact CG-CZ 4.29Å
337	S	93.8	Very high	89.8	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-38.9	178.4	-60	0	0	0	0	112.3	N333 D334 L335 G341 P349 V350	N333-S337 VanDerWaalsContact O-CB 3.24Å; N333-S337 WeakPolarHBondContact O-CB 3.41Å; N333-S337 PolarHBondContact O-N 3.14Å; N333-S337 PolarHBondContact O-OG 2.86Å; D334-S337 PolarHBondContact O-N 2.69Å; L335-S337 VanDerWaalsContact C-N 3.3Å; L335-S337 PolarHBondContact O-N 2.79Å; S337-G341 PolarHBondContact O-N 3.16Å; S337-P349 WeakPolarHBondContact O-CA 3.37Å; S337-V350 WeakPolarHBondContact CA-O 3.47Å; S337-V350 WeakPolarHBondContact CB-O 3.33Å; S337-V350 PolarHBondContact O-N 3.02Å
338	R	93.4	Very high	89.7	Confident	105 Å²	105	52.6 Å²	52.6	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-52.3	171.8	-75.2	-175.1	-78	114.5	-5	111.6	D334 L335 F340 G341 E342 P349	D334-R338 PolarHBondContact O-N 3.05Å; D334-R338 IonicContact OD1-NE 2.6Å; D334-R338 PolarHBondContact OD1-NE 3.36Å; D334-R338 IonicContact OD2-CZ 2.79Å; D334-R338 IonicContact OD2-NE 2.88Å; D334-R338 PolarHBondContact OD2-NE 3.33Å; D334-R338 IonicContact OD2-NH2 2.63Å; D334-R338 PolarHBondContact OD2-NH2 3.42Å; L335-R338 PolarHBondContact O-N 2.93Å; R338-F340 VanDerWaalsContact C-N 3.29Å; R338-F340 PolarHBondContact O-N 3.43Å; R338-G341 CarbonylContact O-C 3.55Å; R338-G341 WeakPolarHBondContact O-CA 3.45Å; R338-G341 PolarHBondContact O-N 2.89Å; R338-E342 PolarHBondContact O-N 2.78Å; R338-P349 HydrophobicContact CG-CB 4Å; R338-P349 HydrophobicContact CG-CG 3.74Å
339	K	94.2	Very high	89.5	Confident	27 Å²	27	54.9 Å²	54.9	12%	0.117	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-30.7	-179.8	-66.6	-63.9	-166.2	155.2	0	113.5	L335 E342 A343 A393 I396 F398	L335-K339 HydrophobicContact CD1-CG 3.89Å; L335-K339 WeakPolarHBondContact O-CB 3.41Å; L335-K339 VanDerWaalsContact O-CG 3.29Å; L335-K339 WeakPolarHBondContact O-CG 3.44Å; L335-K339 PolarHBondContact O-N 3.34Å; K339-E342 WeakPolarHBondContact CD-OE2 3.36Å; K339-E342 IonicContact NZ-OE2 2.95Å; K339-A343 PolarHBondContact O-N 3.35Å; K339-A393 WeakPolarHBondContact CE-O 3.48Å; K339-A393 PolarHBondContact NZ-O 3.11Å; K339-I396 HydrophobicContact CB-CG2 4.46Å; K339-I396 WeakPolarHBondContact CD-O 3.23Å; K339-I396 WeakPolarHBondContact CE-O 3.23Å; K339-I396 HydrophobicContact CG-CG2 4.27Å; K339-I396 PolarHBondContact NZ-O 3.48Å; K339-F398 HydrophobicContact CB-CD2 3.67Å; K339-F398 HydrophobicContact CB-CE2 3.79Å
340	F	93.3	Very high	89.4	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-72.4	-39.7	170	-176.8	-113.6	0	0	0	111.5	F336 R338 A343 I344 V350 V352 P353 I357 F398 L407 L409	F336-F340 WeakPolarHBondContact O-CB 3.25Å; F336-F340 PolarHBondContact O-N 2.87Å; R338-F340 VanDerWaalsContact C-N 3.29Å; R338-F340 PolarHBondContact O-N 3.43Å; F340-A343 PolarHBondContact O-N 3.02Å; F340-I344 HydrophobicContact CE1-CG2 4.38Å; F340-I344 HydrophobicContact CE2-CG2 4.16Å; F340-I344 HydrophobicContact CZ-CG2 4.02Å; F340-I344 WeakPolarHBondContact O-CG1 3.48Å; F340-I344 PolarHBondContact O-N 3.42Å; F340-I344 VanDerWaalsContact O-N 3.15Å; F340-V350 HydrophobicContact CD1-CB 4.27Å; F340-V350 HydrophobicContact CD1-CG1 4.05Å; F340-V350 HydrophobicContact CE1-CG1 4.03Å; F340-V352 HydrophobicContact CB-CG1 4.47Å; F340-V352 HydrophobicContact CB-CG2 3.88Å; F340-V352 HydrophobicContact CD1-CG2 4.43Å; F340-V352 HydrophobicContact CG-CG1 4.36Å; F340-V352 HydrophobicContact CG-CG2 4.33Å; F340-P353 VanDerWaalsContact CE1-CD 3.46Å; F340-P353 HydrophobicContact CE1-CG 4.22Å; F340-P353 HydrophobicContact CE2-CG 4.41Å; F340-P353 VanDerWaalsContact CZ-CD 3.47Å; F340-P353 HydrophobicContact CZ-CG 3.81Å; F340-I357 HydrophobicContact CD2-CD1 4.23Å; F340-I357 HydrophobicContact CE2-CD1 4.03Å; F340-F398 HydrophobicContact CB-CD1 4.29Å; F340-F398 HydrophobicContact CB-CE1 4.34Å; F340-F398 HydrophobicContact CB-CG 4.39Å; F340-F398 AromaticContact CD2-CD1 3.77Å; F340-F398 HydrophobicContact CD2-CD1 3.77Å; F340-F398 HydrophobicContact CD2-CE1 4.21Å; F340-F398 HydrophobicContact CD2-CG 4.35Å; F340-L407 HydrophobicContact CZ-CD2 4.39Å; F340-L409 HydrophobicContact CZ-CD2 4.08Å
341	G	88.1	Confident	89.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.9	-50.9	173.8	0	0	0	0	0	112.9	S337 R338 A343 I344 G345 V346	S337-G341 PolarHBondContact O-N 3.16Å; R338-G341 CarbonylContact O-C 3.55Å; R338-G341 WeakPolarHBondContact O-CA 3.45Å; R338-G341 PolarHBondContact O-N 2.89Å; G341-A343 PolarHBondContact O-N 3.46Å; G341-I344 CarbonylContact O-C 3.53Å; G341-I344 VanDerWaalsContact O-CG1 3.31Å; G341-I344 WeakPolarHBondContact O-CG1 3.45Å; G341-I344 PolarHBondContact O-N 3.11Å; G341-I344 VanDerWaalsContact O-N 3.07Å; G341-G345 PolarHBondContact O-N 2.78Å; G341-G345 VanDerWaalsContact O-N 3.16Å; G341-V346 CarbonylContact C-O 3.55Å; G341-V346 VanDerWaalsContact C-O 3.29Å; G341-V346 PolarHBondContact O-N 3.31Å
342	E	89.5	Confident	89.4	Confident	107 Å²	107	51.3 Å²	51.3	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-49.2	-45.1	172.9	-71	166.2	-150.6	0	0	111.6	R338 K339 I344 G345 V346	R338-E342 PolarHBondContact O-N 2.78Å; K339-E342 WeakPolarHBondContact CD-OE2 3.36Å; K339-E342 IonicContact NZ-OE2 2.95Å; E342-I344 VanDerWaalsContact C-N 3.35Å; E342-I344 PolarHBondContact O-N 3.5Å; E342-G345 PolarHBondContact O-N 3.08Å; E342-V346 PolarHBondContact N-O 2.75Å
343	A	89.2	Confident	89.1	Confident	28 Å²	28	52.4 Å²	52.4	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-75.5	-17.1	-176.3	0	0	0	0	0	115.3	K339 F340 G341 F398 V400	K339-A343 PolarHBondContact O-N 3.35Å; F340-A343 PolarHBondContact O-N 3.02Å; G341-A343 PolarHBondContact O-N 3.46Å; A343-F398 VanDerWaalsContact CB-C 3.49Å; A343-F398 HydrophobicContact CB-CB 3.42Å; A343-F398 VanDerWaalsContact CB-CB 3.42Å; A343-F398 WeakPolarHBondContact CB-O 3.43Å; A343-V400 HydrophobicContact CB-CG2 4.3Å; A343-V400 WeakPolarHBondContact O-CG2 3.27Å
344	I	82.6	Confident	89	Confident	42 Å²	42	50.5 Å²	50.5	22%	0.215	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.2	171.8	62.8	152.4	0	0	0	112.2	F340 G341 E342 V346 V350 V400 L409	F340-I344 HydrophobicContact CE1-CG2 4.38Å; F340-I344 HydrophobicContact CE2-CG2 4.16Å; F340-I344 HydrophobicContact CZ-CG2 4.02Å; F340-I344 WeakPolarHBondContact O-CG1 3.48Å; F340-I344 PolarHBondContact O-N 3.42Å; F340-I344 VanDerWaalsContact O-N 3.15Å; G341-I344 CarbonylContact O-C 3.53Å; G341-I344 VanDerWaalsContact O-CG1 3.31Å; G341-I344 WeakPolarHBondContact O-CG1 3.45Å; G341-I344 PolarHBondContact O-N 3.11Å; G341-I344 VanDerWaalsContact O-N 3.07Å; E342-I344 VanDerWaalsContact C-N 3.35Å; E342-I344 PolarHBondContact O-N 3.5Å; I344-V346 HydrophobicContact CD1-CG1 3.98Å; I344-V346 HydrophobicContact CD1-CG2 4.27Å; I344-V346 HydrophobicContact CG1-CG1 4.02Å; I344-V346 HydrophobicContact CG1-CG2 4.21Å; I344-V350 HydrophobicContact CD1-CB 4.21Å; I344-V350 HydrophobicContact CD1-CG1 3.96Å; I344-V350 HydrophobicContact CD1-CG2 4.13Å; I344-V400 HydrophobicContact CG2-CG2 3.86Å; I344-L409 HydrophobicContact CG2-CD1 4.3Å; I344-L409 HydrophobicContact CG2-CD2 3.72Å
345	G	81.7	Confident	88.7	Confident	63 Å²	63	54.5 Å²	54.5	65%	0.649	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	31.6	174.4	0	0	0	0	0	114.5	G341 E342	G341-G345 PolarHBondContact O-N 2.78Å; G341-G345 VanDerWaalsContact O-N 3.16Å; E342-G345 PolarHBondContact O-N 3.08Å
346	V	79.9	Confident	88.1	Confident	15 Å²	15	57.8 Å²	57.8	9%	0.091	29%	0.292	C	S	.	.			trans	-125.5	153.6	-178.9	-37.5	0	0	0	0	112.5	G341 E342 I344 F348 V350 V412	G341-V346 CarbonylContact C-O 3.55Å; G341-V346 VanDerWaalsContact C-O 3.29Å; G341-V346 PolarHBondContact O-N 3.31Å; E342-V346 PolarHBondContact N-O 2.75Å; I344-V346 HydrophobicContact CD1-CG1 3.98Å; I344-V346 HydrophobicContact CD1-CG2 4.27Å; I344-V346 HydrophobicContact CG1-CG1 4.02Å; I344-V346 HydrophobicContact CG1-CG2 4.21Å; V346-F348 HydrophobicContact CG2-CD2 4.4Å; V346-F348 HydrophobicContact CG2-CE2 4.49Å; V346-F348 WeakPolarHBondContact CG2-O 3.48Å; V346-V350 HydrophobicContact CG2-CG2 3.61Å; V346-V412 HydrophobicContact CB-CB 4.01Å; V346-V412 HydrophobicContact CB-CG2 3.74Å; V346-V412 HydrophobicContact CG1-CB 3.56Å; V346-V412 HydrophobicContact CG1-CG1 4.49Å; V346-V412 HydrophobicContact CG1-CG2 3.6Å
347	D	80.4	Confident	87.6	Confident	149 Å²	149	58 Å²	58	80%	0.797	29%	0.293	S	S	*	.	S	Bend	trans	-97.7	3.7	-172.6	58.1	-21.2	0	0	0	114.4
348	F	82	Confident	87.2	Confident	99 Å²	99	61.6 Å²	61.6	43%	0.434	32%	0.315	S	S	.	.	S	Bend	trans	-127.5	160.8	178.7	59.1	-107.5	0	0	0	113.3	V346 V350 V412	V346-F348 HydrophobicContact CG2-CD2 4.4Å; V346-F348 HydrophobicContact CG2-CE2 4.49Å; V346-F348 WeakPolarHBondContact CG2-O 3.48Å; F348-V350 HydrophobicContact CD2-CG2 3.86Å; F348-V350 HydrophobicContact CE2-CG2 3.69Å; F348-V350 PolarHBondContact O-N 3.44Å; F348-V412 HydrophobicContact CD1-CG2 4.24Å; F348-V412 HydrophobicContact CE1-CG2 3.21Å; F348-V412 HydrophobicContact CE2-CG2 4.4Å; F348-V412 HydrophobicContact CZ-CG2 3.31Å
349	P	84.9	Confident	86.4	Confident	67 Å²	67	61.2 Å²	61.2	44%	0.435	32%	0.316	S	S	.	.			trans	-65.8	126.3	-178.8	-12.1	24.8	0	0	0	111.7	S337 R338	S337-P349 WeakPolarHBondContact O-CA 3.37Å; R338-P349 HydrophobicContact CG-CB 4Å; R338-P349 HydrophobicContact CG-CG 3.74Å
350	V	87.4	Confident	85.4	Confident	34 Å²	34	62.4 Å²	62.4	21%	0.206	32%	0.324	C	S	.	.			trans	-113.9	132.9	178.2	171.7	0	0	0	0	111.7	S337 F340 I344 V346 F348 V352	S337-V350 WeakPolarHBondContact CA-O 3.47Å; S337-V350 WeakPolarHBondContact CB-O 3.33Å; S337-V350 PolarHBondContact O-N 3.02Å; F340-V350 HydrophobicContact CD1-CB 4.27Å; F340-V350 HydrophobicContact CD1-CG1 4.05Å; F340-V350 HydrophobicContact CE1-CG1 4.03Å; I344-V350 HydrophobicContact CD1-CB 4.21Å; I344-V350 HydrophobicContact CD1-CG1 3.96Å; I344-V350 HydrophobicContact CD1-CG2 4.13Å; V346-V350 HydrophobicContact CG2-CG2 3.61Å; F348-V350 HydrophobicContact CD2-CG2 3.86Å; F348-V350 HydrophobicContact CE2-CG2 3.69Å; F348-V350 PolarHBondContact O-N 3.44Å; V350-V352 PolarHBondContact O-N 3.39Å
351	K	90	Very high	84.3	Confident	193 Å²	193	66.6 Å²	66.6	84%	0.839	35%	0.351	S	S	*	.			trans	-52	105.6	-178.3	-178	174.7	-178.4	172.1	0	111.9	P353	K351-P353 WeakPolarHBondContact O-CD 3.42Å
352	V	91.8	Very high	83.7	Confident	6 Å²	6	68.3 Å²	68.3	4%	0.036	37%	0.369	C	S	.	.			trans	-66.6	124.4	-174.3	-168.8	0	0	0	0	110.8	F336 F340 V350 Y354 I357 F375 F398	F336-V352 VanDerWaalsContact C-CG2 3.43Å; F336-V352 HydrophobicContact CB-CG2 3.94Å; F336-V352 VanDerWaalsContact O-CG2 3.31Å; F336-V352 WeakPolarHBondContact O-CG2 3.47Å; F340-V352 HydrophobicContact CB-CG1 4.47Å; F340-V352 HydrophobicContact CB-CG2 3.88Å; F340-V352 HydrophobicContact CD1-CG2 4.43Å; F340-V352 HydrophobicContact CG-CG1 4.36Å; F340-V352 HydrophobicContact CG-CG2 4.33Å; V350-V352 PolarHBondContact O-N 3.39Å; V352-Y354 HydrophobicContact CB-CD1 4.35Å; V352-Y354 HydrophobicContact CB-CD2 4.19Å; V352-Y354 HydrophobicContact CB-CE1 4.02Å; V352-Y354 HydrophobicContact CB-CE2 3.87Å; V352-Y354 HydrophobicContact CB-CG 4.42Å; V352-Y354 HydrophobicContact CG1-CD1 4Å; V352-Y354 HydrophobicContact CG1-CE1 3.96Å; V352-Y354 HydrophobicContact CG1-CG 4.29Å; V352-Y354 WeakPolarHBondContact O-CD2 3.24Å; V352-Y354 PolarHBondContact O-N 2.97Å; V352-I357 HydrophobicContact CG1-CD1 3.76Å; V352-F375 HydrophobicContact CG1-CZ 3.91Å; V352-F398 HydrophobicContact CG1-CE1 4.14Å; V352-F398 HydrophobicContact CG1-CZ 4.42Å
353	P	89.5	Confident	83.4	Confident	23 Å²	23	63.7 Å²	63.7	15%	0.149	35%	0.348	C	S	.	.			trans	-83.3	58.6	-179	36	-37.8	0	0	0	110.4	F340 K351 R355 K356 I357 L404 L407	F340-P353 VanDerWaalsContact CE1-CD 3.46Å; F340-P353 HydrophobicContact CE1-CG 4.22Å; F340-P353 HydrophobicContact CE2-CG 4.41Å; F340-P353 VanDerWaalsContact CZ-CD 3.47Å; F340-P353 HydrophobicContact CZ-CG 3.81Å; K351-P353 WeakPolarHBondContact O-CD 3.42Å; P353-R355 PolarHBondContact O-N 3.38Å; P353-R355 VanDerWaalsContact O-N 3.12Å; P353-K356 HydrophobicContact CB-CB 4.22Å; P353-K356 HydrophobicContact CB-CG 4.46Å; P353-K356 WeakPolarHBondContact O-CA 3.41Å; P353-K356 PolarHBondContact O-N 3.29Å; P353-I357 HydrophobicContact CG-CD1 4.02Å; P353-I357 HydrophobicContact CG-CG1 4.17Å; P353-I357 PolarHBondContact O-N 2.64Å; P353-L404 HydrophobicContact CG-CD1 3.88Å; P353-L407 HydrophobicContact CB-CD1 4.11Å; P353-L407 HydrophobicContact CB-CD2 4.31Å; P353-L407 HydrophobicContact CG-CD1 4.36Å; P353-L407 HydrophobicContact CG-CD2 3.73Å
354	Y	92.1	Very high	83.2	Confident	29 Å²	29	62.6 Å²	62.6	11%	0.114	34%	0.338	C	S	.	.	H	α-helix	trans	-39.1	-56.9	-170.1	-63.6	-80.9	0	0	0	113.7	N333 F336 V352 K356 I357 T358 F375 A377 P378	N333-Y354 PolarHBondContact OD1-OH 3.05Å; F336-Y354 HydrophobicContact CB-CE1 4.42Å; F336-Y354 AromaticContact CD2-CE1 3.78Å; F336-Y354 HydrophobicContact CD2-CE1 3.78Å; F336-Y354 HydrophobicContact CE2-CE1 4.4Å; F336-Y354 HydrophobicContact CG-CE1 4.44Å; V352-Y354 HydrophobicContact CB-CD1 4.35Å; V352-Y354 HydrophobicContact CB-CD2 4.19Å; V352-Y354 HydrophobicContact CB-CE1 4.02Å; V352-Y354 HydrophobicContact CB-CE2 3.87Å; V352-Y354 HydrophobicContact CB-CG 4.42Å; V352-Y354 HydrophobicContact CG1-CD1 4Å; V352-Y354 HydrophobicContact CG1-CE1 3.96Å; V352-Y354 HydrophobicContact CG1-CG 4.29Å; V352-Y354 WeakPolarHBondContact O-CD2 3.24Å; V352-Y354 PolarHBondContact O-N 2.97Å; Y354-K356 PolarHBondContact O-N 3.37Å; Y354-I357 PolarHBondContact O-N 2.92Å; Y354-T358 PolarHBondContact O-N 3.48Å; Y354-T358 PolarHBondContact O-OG1 3.36Å; Y354-T358 VanDerWaalsContact O-OG1 3.1Å; Y354-F375 AromaticContact CD1-CE1 3.98Å; Y354-F375 HydrophobicContact CD1-CE1 3.98Å; Y354-F375 AromaticContact CD1-CE2 3.9Å; Y354-F375 HydrophobicContact CD1-CE2 3.9Å; Y354-F375 AromaticContact CD1-CZ 3.37Å; Y354-F375 HydrophobicContact CD1-CZ 3.37Å; Y354-F375 AromaticContact CE1-CE2 3.94Å; Y354-F375 HydrophobicContact CE1-CE2 3.94Å; Y354-F375 AromaticContact CE1-CZ 3.82Å; Y354-F375 HydrophobicContact CE1-CZ 3.82Å; Y354-F375 HydrophobicContact CG-CZ 4.42Å; Y354-A377 HydrophobicContact CD1-CB 4Å; Y354-A377 HydrophobicContact CD2-CB 3.59Å; Y354-A377 HydrophobicContact CE1-CB 4.35Å; Y354-A377 HydrophobicContact CE2-CB 3.95Å; Y354-A377 HydrophobicContact CG-CB 3.62Å; Y354-P378 WeakPolarHBondContact OH-CD 3.26Å
355	R	86.2	Confident	83.5	Confident	144 Å²	144	63 Å²	63	54%	0.543	34%	0.343	S	S	.	.	H	α-helix	trans	-53.5	-47.2	177.4	-75.8	-174.2	178.7	131.8	0.4	112.7	P353 I357 T358 F359 N681	P353-R355 PolarHBondContact O-N 3.38Å; P353-R355 VanDerWaalsContact O-N 3.12Å; R355-I357 VanDerWaalsContact C-N 3.32Å; R355-I357 PolarHBondContact O-N 3.42Å; R355-T358 PolarHBondContact O-N 2.9Å; R355-F359 HydrophobicContact CB-CD2 4.34Å; R355-F359 HydrophobicContact CB-CE2 4.38Å; R355-F359 WeakPolarHBondContact O-CB 3.4Å; R355-F359 WeakPolarHBondContact O-CD2 3.27Å; R355-F359 PolarHBondContact O-N 2.93Å; R355-N681 PolarHBondContact NE-OD1 3.4Å; R355-N681 PolarHBondContact NH2-OD1 3.27Å
356	K	83.2	Confident	84	Confident	73 Å²	73	61.7 Å²	61.7	32%	0.317	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-37.7	-177.5	-65.1	-162.1	174.3	-161.8	0	111.9	P353 Y354 N360 L404 P405 G406 L407	P353-K356 HydrophobicContact CB-CB 4.22Å; P353-K356 HydrophobicContact CB-CG 4.46Å; P353-K356 WeakPolarHBondContact O-CA 3.41Å; P353-K356 PolarHBondContact O-N 3.29Å; Y354-K356 PolarHBondContact O-N 3.37Å; K356-N360 WeakPolarHBondContact O-CB 3.42Å; K356-N360 PolarHBondContact O-N 3.46Å; K356-N360 PolarHBondContact O-ND2 3.42Å; K356-L404 HydrophobicContact CB-CD1 4.26Å; K356-L404 HydrophobicContact CB-CD2 4.24Å; K356-L404 WeakPolarHBondContact O-CD2 3.41Å; K356-P405 PolarHBondContact NZ-O 2.92Å; K356-G406 PolarHBondContact NZ-O 2.88Å; K356-L407 HydrophobicContact CD-CB 4.36Å
357	I	86.9	Confident	84.5	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-51.3	176	-65	165.6	0	0	0	110	F340 V352 P353 Y354 R355 F359 N360 V364 I366 F375 F398 L404	F340-I357 HydrophobicContact CD2-CD1 4.23Å; F340-I357 HydrophobicContact CE2-CD1 4.03Å; V352-I357 HydrophobicContact CG1-CD1 3.76Å; P353-I357 HydrophobicContact CG-CD1 4.02Å; P353-I357 HydrophobicContact CG-CG1 4.17Å; P353-I357 PolarHBondContact O-N 2.64Å; Y354-I357 PolarHBondContact O-N 2.92Å; R355-I357 VanDerWaalsContact C-N 3.32Å; R355-I357 PolarHBondContact O-N 3.42Å; I357-F359 VanDerWaalsContact C-N 3.26Å; I357-F359 PolarHBondContact O-N 3.05Å; I357-N360 CarbonylContact O-C 3.46Å; I357-N360 PolarHBondContact O-N 3.32Å; I357-V364 HydrophobicContact CG1-CB 4.18Å; I357-V364 HydrophobicContact CG1-CG2 4.29Å; I357-V364 HydrophobicContact CG2-CB 4.21Å; I357-I366 HydrophobicContact CG2-CD1 4.06Å; I357-F375 HydrophobicContact CB-CE1 4.03Å; I357-F375 HydrophobicContact CD1-CE1 4.27Å; I357-F375 HydrophobicContact CD1-CZ 4.33Å; I357-F375 HydrophobicContact CG2-CD1 4.16Å; I357-F375 HydrophobicContact CG2-CE1 3.79Å; I357-F398 HydrophobicContact CD1-CD1 4.41Å; I357-F398 HydrophobicContact CD1-CE1 4.08Å; I357-L404 HydrophobicContact CG1-CD1 3.75Å
358	T	83.8	Confident	84.9	Confident	80 Å²	80	59 Å²	59	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-57.9	-37.2	178	-53.4	0	0	0	0	112.4	Y354 R355	Y354-T358 PolarHBondContact O-N 3.48Å; Y354-T358 PolarHBondContact O-OG1 3.36Å; Y354-T358 VanDerWaalsContact O-OG1 3.1Å; R355-T358 PolarHBondContact O-N 2.9Å
359	F	77.5	Confident	85.5	Confident	98 Å²	98	56.1 Å²	56.1	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-79.9	-11.7	174.8	-73.4	-56	0	0	0	114.9	R355 I357	R355-F359 HydrophobicContact CB-CD2 4.34Å; R355-F359 HydrophobicContact CB-CE2 4.38Å; R355-F359 WeakPolarHBondContact O-CB 3.4Å; R355-F359 WeakPolarHBondContact O-CD2 3.27Å; R355-F359 PolarHBondContact O-N 2.93Å; I357-F359 VanDerWaalsContact C-N 3.26Å; I357-F359 PolarHBondContact O-N 3.05Å
360	N	72.8	Confident	85.8	Confident	51 Å²	51	53.4 Å²	53.4	27%	0.273	29%	0.285	S	S	.	.			trans	-138	64.3	-177.5	-61.5	-99.2	0	0	0	111.4	K356 I357 G362 C363 L404	K356-N360 WeakPolarHBondContact O-CB 3.42Å; K356-N360 PolarHBondContact O-N 3.46Å; K356-N360 PolarHBondContact O-ND2 3.42Å; I357-N360 CarbonylContact O-C 3.46Å; I357-N360 PolarHBondContact O-N 3.32Å; N360-G362 PolarHBondContact O-N 2.84Å; N360-G362 VanDerWaalsContact O-N 3.13Å; N360-C363 HydrophobicContact CB-CB 4Å; N360-C363 WeakPolarHBondContact O-CB 3.3Å; N360-C363 PolarHBondContact O-N 2.83Å; N360-L404 HydrophobicContact CB-CD2 3.7Å
361	P	71.7	Confident	85.8	Confident	92 Å²	92	57 Å²	57	60%	0.597	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.9	179.3	24	-34.2	0	0	0	112.8	C363	P361-C363 PolarHBondContact O-N 2.89Å
362	G	75.7	Confident	85.5	Confident	35 Å²	35	51.8 Å²	51.8	36%	0.361	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	10	172.3	0	0	0	0	0	115.8	N360 R402	N360-G362 PolarHBondContact O-N 2.84Å; N360-G362 VanDerWaalsContact O-N 3.13Å; G362-R402 PolarHBondContact O-NE 3.48Å; G362-R402 VanDerWaalsContact O-NE 3.08Å; G362-R402 PolarHBondContact O-NH2 3.35Å
363	C	81.7	Confident	85.4	Confident	11 Å²	11	52.1 Å²	52.1	7%	0.074	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-41.2	171.7	-71.8	0	0	0	0	112.1	N360 P361 V400 I401 R402 L404	N360-C363 HydrophobicContact CB-CB 4Å; N360-C363 WeakPolarHBondContact O-CB 3.3Å; N360-C363 PolarHBondContact O-N 2.83Å; P361-C363 PolarHBondContact O-N 2.89Å; C363-V400 CarbonylContact O-C 3.49Å; C363-I401 PolarHBondContact O-N 2.88Å; C363-R402 WeakPolarHBondContact CB-O 3.19Å; C363-R402 PolarHBondContact O-N 2.73Å; C363-R402 VanDerWaalsContact O-O 3.09Å; C363-L404 HydrophobicContact CB-CD2 3.48Å; C363-L404 VanDerWaalsContact CB-CD2 3.48Å; C363-L404 HydrophobicContact CB-CG 4.03Å
364	V	86.2	Confident	85.4	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	116	177.7	-173.6	0	0	0	0	109.5	I357 F398 T399 V400 L404	I357-V364 HydrophobicContact CG1-CB 4.18Å; I357-V364 HydrophobicContact CG1-CG2 4.29Å; I357-V364 HydrophobicContact CG2-CB 4.21Å; V364-F398 HydrophobicContact CG1-CB 4.35Å; V364-F398 HydrophobicContact CG1-CD1 3.96Å; V364-T399 WeakPolarHBondContact CA-O 3.34Å; V364-V400 HydrophobicContact CG1-CG2 4.34Å; V364-V400 HydrophobicContact CG2-CG1 4.36Å; V364-V400 HydrophobicContact CG2-CG2 4.1Å; V364-L404 HydrophobicContact CG2-CD1 3.73Å; V364-L404 HydrophobicContact CG2-CD2 4.33Å; V364-L404 HydrophobicContact CG2-CG 3.91Å
365	V	88	Confident	85.5	Confident	52 Å²	52	55.6 Å²	55.6	32%	0.315	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	150.4	171.2	167	0	0	0	0	109.3	F398 T399 I401	V365-F398 CarbonylContact O-C 3.52Å; V365-F398 WeakPolarHBondContact O-CA 3.06Å; V365-T399 PolarHBondContact N-O 3.11Å; V365-T399 PolarHBondContact O-N 3.27Å; V365-I401 HydrophobicContact CB-CD1 4.31Å; V365-I401 HydrophobicContact CG2-CD1 3.53Å; V365-I401 HydrophobicContact CG2-CG1 4.4Å
366	I	91.7	Very high	85.7	Confident	34 Å²	34	52.5 Å²	52.5	17%	0.174	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	107	177	-52.8	176.5	0	0	0	108.1	I357 M369 F375 K397 F398	I357-I366 HydrophobicContact CG2-CD1 4.06Å; I366-M369 HydrophobicContact CG2-CG 3.85Å; I366-M369 HydrophobicContact CG2-SD 4.41Å; I366-F375 HydrophobicContact CD1-CB 4.03Å; I366-F375 HydrophobicContact CD1-CD1 3.41Å; I366-F375 VanDerWaalsContact CD1-CD1 3.41Å; I366-F375 HydrophobicContact CD1-CD2 3.45Å; I366-F375 VanDerWaalsContact CD1-CD2 3.45Å; I366-F375 HydrophobicContact CD1-CE1 3.6Å; I366-F375 HydrophobicContact CD1-CE2 3.64Å; I366-F375 HydrophobicContact CD1-CG 3.32Å; I366-F375 HydrophobicContact CD1-CZ 3.69Å; I366-K397 CarbonylContact C-O 3.57Å; I366-K397 WeakPolarHBondContact CA-O 3.36Å; I366-F398 HydrophobicContact CD1-CD1 3.81Å; I366-F398 HydrophobicContact CD1-CE1 3.38Å; I366-F398 HydrophobicContact CD1-CZ 3.88Å; I366-F398 HydrophobicContact CG1-CD1 3.66Å; I366-F398 HydrophobicContact CG1-CE1 3.79Å; I366-F398 HydrophobicContact CG1-CG 4.16Å; I366-F398 HydrophobicContact CG1-CZ 4.38Å; I366-F398 HydrophobicContact CG2-CD2 4.44Å; I366-F398 HydrophobicContact CG2-CE2 4.37Å
367	D	91.1	Very high	86.2	Confident	74 Å²	74	50 Å²	50	40%	0.396	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	157.1	176.7	-53.9	-64.4	0	0	0	109.9	M369 I396 K397 T399	D367-M369 PolarHBondContact O-N 2.78Å; D367-I396 WeakPolarHBondContact O-CA 3.15Å; D367-K397 HydrophobicContact CB-CB 4.41Å; D367-K397 PolarHBondContact N-O 3.27Å; D367-K397 PolarHBondContact O-N 2.68Å; D367-T399 PolarHBondContact OD2-OG1 3.21Å
368	G	89.8	Confident	86.3	Confident	34 Å²	34	50.1 Å²	50.1	35%	0.351	32%	0.318	S	S	.	.	S	Bend	trans	77.2	6.6	172.4	0	0	0	0	0	117.3	F395 I396	G368-F395 WeakPolarHBondContact CA-O 3.44Å; G368-I396 WeakPolarHBondContact O-CG1 3.42Å
369	M	93.8	Very high	86.4	Confident	39 Å²	39	48.6 Å²	48.6	19%	0.192	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-62	141.2	173.3	-77.8	-66.9	-62.7	0	0	112	F336 I366 D367 V373 F375 I389 I396	F336-M369 HydrophobicContact CE1-SD 4Å; F336-M369 HydrophobicContact CZ-CE 4.48Å; F336-M369 HydrophobicContact CZ-SD 4.11Å; I366-M369 HydrophobicContact CG2-CG 3.85Å; I366-M369 HydrophobicContact CG2-SD 4.41Å; D367-M369 PolarHBondContact O-N 2.78Å; M369-V373 HydrophobicContact CE-CB 4.26Å; M369-V373 HydrophobicContact CE-CG1 3.87Å; M369-V373 VanDerWaalsContact CE-O 3.22Å; M369-V373 WeakPolarHBondContact CE-O 3.39Å; M369-F375 HydrophobicContact CE-CB 4.29Å; M369-I389 HydrophobicContact CE-CD1 4.12Å; M369-I389 HydrophobicContact CE-CG1 4.11Å; M369-I396 HydrophobicContact SD-CD1 4.29Å
370	P	92.1	Very high	87	Confident	10 Å²	10	50.9 Å²	50.9	7%	0.065	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-62.8	143.7	-178.7	-20.7	30.3	0	0	0	113.1	G372 V373 R388 I389 A392	P370-G372 PolarHBondContact O-N 2.88Å; P370-V373 HydrophobicContact CB-CB 4.22Å; P370-V373 HydrophobicContact CB-CG2 3.87Å; P370-V373 HydrophobicContact CG-CB 4.45Å; P370-V373 HydrophobicContact CG-CG2 4.36Å; P370-V373 WeakPolarHBondContact O-CB 3.28Å; P370-V373 PolarHBondContact O-N 2.86Å; P370-R388 HydrophobicContact CB-CB 4.15Å; P370-R388 HydrophobicContact CG-CB 4.11Å; P370-R388 WeakPolarHBondContact CG-O 3.38Å; P370-I389 HydrophobicContact CG-CG1 4.2Å; P370-A392 HydrophobicContact CG-CB 3.86Å
371	P	85.5	Confident	87.8	Confident	109 Å²	109	49 Å²	49	71%	0.708	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	123.3	179.8	-29.9	35.7	0	0	0	113.3	V373 R388	P371-V373 VanDerWaalsContact C-N 3.35Å; P371-R388 PolarHBondContact O-NH1 3.37Å; P371-R388 PolarHBondContact O-NH2 3.41Å
372	G	84.4	Confident	88.6	Confident	84 Å²	84	50.9 Å²	50.9	87%	0.866	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	1.2	-177.7	0	0	0	0	0	115.9	P370	P370-G372 PolarHBondContact O-N 2.88Å
373	V	90	Very high	89.1	Confident	12 Å²	12	52.6 Å²	52.6	7%	0.073	32%	0.316	C	S	.	.			trans	-99.6	108.1	177.1	-174.2	0	0	0	0	110.4	M369 P370 P371 L381 I389	M369-V373 HydrophobicContact CE-CB 4.26Å; M369-V373 HydrophobicContact CE-CG1 3.87Å; M369-V373 VanDerWaalsContact CE-O 3.22Å; M369-V373 WeakPolarHBondContact CE-O 3.39Å; P370-V373 HydrophobicContact CB-CB 4.22Å; P370-V373 HydrophobicContact CB-CG2 3.87Å; P370-V373 HydrophobicContact CG-CB 4.45Å; P370-V373 HydrophobicContact CG-CG2 4.36Å; P370-V373 WeakPolarHBondContact O-CB 3.28Å; P370-V373 PolarHBondContact O-N 2.86Å; P371-V373 VanDerWaalsContact C-N 3.35Å; V373-L381 HydrophobicContact CG1-CD2 4.25Å; V373-I389 HydrophobicContact CG1-CD1 3.73Å; V373-I389 HydrophobicContact CG1-CG1 4.01Å
374	V	89.7	Confident	89.5	Confident	101 Å²	101	54.9 Å²	54.9	61%	0.612	33%	0.332	S	S	*	.			trans	-73.9	138	176.6	-178.2	0	0	0	0	110.6	K376	V374-K376 WeakPolarHBondContact O-CG 3.29Å; V374-K376 PolarHBondContact O-N 3.37Å
375	F	92.9	Very high	89.8	Confident	24 Å²	24	55.6 Å²	55.6	11%	0.105	34%	0.337	C	S	.	.			trans	-69.9	122.9	174.5	174.6	-101.4	0	0	0	112.3	F336 V352 Y354 I357 I366 M369 F398	F336-F375 HydrophobicContact CD1-CE2 4.13Å; F336-F375 HydrophobicContact CD2-CE2 4.08Å; F336-F375 HydrophobicContact CE1-CD2 4.03Å; F336-F375 HydrophobicContact CE1-CE2 4.07Å; F336-F375 HydrophobicContact CE2-CD2 4.15Å; F336-F375 HydrophobicContact CE2-CE2 4.01Å; F336-F375 HydrophobicContact CG-CE2 4.14Å; F336-F375 AromaticContact CZ-CD2 3.81Å; F336-F375 HydrophobicContact CZ-CD2 3.81Å; F336-F375 AromaticContact CZ-CE2 3.99Å; F336-F375 HydrophobicContact CZ-CE2 3.99Å; V352-F375 HydrophobicContact CG1-CZ 3.91Å; Y354-F375 AromaticContact CD1-CE1 3.98Å; Y354-F375 HydrophobicContact CD1-CE1 3.98Å; Y354-F375 AromaticContact CD1-CE2 3.9Å; Y354-F375 HydrophobicContact CD1-CE2 3.9Å; Y354-F375 AromaticContact CD1-CZ 3.37Å; Y354-F375 HydrophobicContact CD1-CZ 3.37Å; Y354-F375 AromaticContact CE1-CE2 3.94Å; Y354-F375 HydrophobicContact CE1-CE2 3.94Å; Y354-F375 AromaticContact CE1-CZ 3.82Å; Y354-F375 HydrophobicContact CE1-CZ 3.82Å; Y354-F375 HydrophobicContact CG-CZ 4.42Å; I357-F375 HydrophobicContact CB-CE1 4.03Å; I357-F375 HydrophobicContact CD1-CE1 4.27Å; I357-F375 HydrophobicContact CD1-CZ 4.33Å; I357-F375 HydrophobicContact CG2-CD1 4.16Å; I357-F375 HydrophobicContact CG2-CE1 3.79Å; I366-F375 HydrophobicContact CD1-CB 4.03Å; I366-F375 HydrophobicContact CD1-CD1 3.41Å; I366-F375 VanDerWaalsContact CD1-CD1 3.41Å; I366-F375 HydrophobicContact CD1-CD2 3.45Å; I366-F375 VanDerWaalsContact CD1-CD2 3.45Å; I366-F375 HydrophobicContact CD1-CE1 3.6Å; I366-F375 HydrophobicContact CD1-CE2 3.64Å; I366-F375 HydrophobicContact CD1-CG 3.32Å; I366-F375 HydrophobicContact CD1-CZ 3.69Å; M369-F375 HydrophobicContact CE-CB 4.29Å; F375-F398 AromaticContact CE2-CE1 3.99Å; F375-F398 HydrophobicContact CE2-CE1 3.99Å; F375-F398 AromaticContact CE2-CZ 3.69Å; F375-F398 HydrophobicContact CE2-CZ 3.69Å; F375-F398 AromaticContact CZ-CE1 3.86Å; F375-F398 HydrophobicContact CZ-CE1 3.86Å; F375-F398 HydrophobicContact CZ-CZ 4.01Å
376	K	91.9	Very high	90.1	Very high	80 Å²	80	53.2 Å²	53.2	35%	0.348	32%	0.323	S	S	.	.			trans	-162.1	163.9	178.9	30.9	171.8	176.4	159.5	0	109.3	V374 Y380 L381	V374-K376 WeakPolarHBondContact O-CG 3.29Å; V374-K376 PolarHBondContact O-N 3.37Å; K376-Y380 WeakPolarHBondContact CD-O 3.32Å; K376-Y380 WeakPolarHBondContact CE-O 3.13Å; K376-Y380 PolarHBondContact NZ-O 2.88Å; K376-L381 HydrophobicContact CD-CD2 4.33Å; K376-L381 HydrophobicContact CG-CD2 3.94Å; K376-L381 HydrophobicContact CG-CG 4.27Å
377	A	92.1	Very high	90.1	Very high	21 Å²	21	58.6 Å²	58.6	17%	0.174	34%	0.341	C	S	.	.			trans	-62.1	146.9	-179.9	0	0	0	0	0	112	Y354 G379 Y380	Y354-A377 HydrophobicContact CD1-CB 4Å; Y354-A377 HydrophobicContact CD2-CB 3.59Å; Y354-A377 HydrophobicContact CE1-CB 4.35Å; Y354-A377 HydrophobicContact CE2-CB 3.95Å; Y354-A377 HydrophobicContact CG-CB 3.62Å; A377-G379 PolarHBondContact O-N 3.17Å; A377-Y380 HydrophobicContact CB-CD2 4.04Å; A377-Y380 HydrophobicContact CB-CE2 4.36Å; A377-Y380 PolarHBondContact O-N 2.81Å
378	P	90.1	Very high	90.3	Very high	7 Å²	7	60 Å²	60	5%	0.045	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-57.2	-21.4	-176.3	-30.7	39	0	0	0	116.6	R329 V332 N333 Y354 Y380 L381 M386	R329-P378 HydrophobicContact CB-CB 4.08Å; R329-P378 HydrophobicContact CG-CB 4.12Å; R329-P378 PolarHBondContact NE-O 2.91Å; V332-P378 HydrophobicContact CB-CG 4.1Å; V332-P378 HydrophobicContact CG1-CG 3.87Å; N333-P378 HydrophobicContact CB-CG 4.05Å; Y354-P378 WeakPolarHBondContact OH-CD 3.26Å; P378-Y380 PolarHBondContact O-N 3.42Å; P378-L381 PolarHBondContact O-N 3.33Å; P378-M386 HydrophobicContact CB-SD 4.33Å
379	G	86.7	Confident	90.6	Very high	49 Å²	49	58.4 Å²	58.4	51%	0.505	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23.6	170	0	0	0	0	0	114.3	R329 A377	R329-G379 PolarHBondContact NH2-O 3.28Å; A377-G379 PolarHBondContact O-N 3.17Å
380	Y	89.9	Confident	90.6	Very high	146 Å²	146	58.9 Å²	58.9	57%	0.573	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-109.9	10.2	-178.2	-52.2	-71.4	0	0	0	113.7	K376 A377 P378	K376-Y380 WeakPolarHBondContact CD-O 3.32Å; K376-Y380 WeakPolarHBondContact CE-O 3.13Å; K376-Y380 PolarHBondContact NZ-O 2.88Å; A377-Y380 HydrophobicContact CB-CD2 4.04Å; A377-Y380 HydrophobicContact CB-CE2 4.36Å; A377-Y380 PolarHBondContact O-N 2.81Å; P378-Y380 PolarHBondContact O-N 3.42Å
381	L	88.8	Confident	90.7	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.052	36%	0.357	C	S	.	.			trans	-103.6	139.9	176.9	-72.9	169.2	0	0	0	110.7	V332 F336 V373 K376 P378 M386 I389	V332-L381 HydrophobicContact CG1-CD1 4.25Å; F336-L381 HydrophobicContact CE2-CD1 4.31Å; V373-L381 HydrophobicContact CG1-CD2 4.25Å; K376-L381 HydrophobicContact CD-CD2 4.33Å; K376-L381 HydrophobicContact CG-CD2 3.94Å; K376-L381 HydrophobicContact CG-CG 4.27Å; P378-L381 PolarHBondContact O-N 3.33Å; L381-M386 HydrophobicContact CB-CG 3.64Å; L381-M386 HydrophobicContact CB-SD 4.34Å; L381-M386 HydrophobicContact CD1-CG 4.35Å; L381-I389 HydrophobicContact CD1-CD1 3.55Å; L381-I389 HydrophobicContact CD2-CD1 4.12Å; L381-I389 HydrophobicContact CG-CD1 4.49Å
382	E	88.3	Confident	91.1	Very high	133 Å²	133	60 Å²	60	62%	0.621	33%	0.329	S	S	*	.			trans	-72.4	158.9	171.1	-68.3	175.5	-162.8	0	0	111.4	S384 S385 M386	E382-S384 WeakPolarHBondContact CB-OG 3.41Å; E382-S384 PolarHBondContact O-N 2.87Å; E382-S384 PolarHBondContact OE2-OG 2.95Å; E382-S385 PolarHBondContact O-N 3.19Å; E382-M386 WeakPolarHBondContact O-CG 3.23Å; E382-M386 PolarHBondContact O-N 3.02Å
383	I	87.2	Confident	91.5	Very high	70 Å²	70	57 Å²	57	36%	0.359	30%	0.296	S	S	.	.	H	α-helix	trans	-55.5	-40.4	173.6	-61.1	168.8	0	0	0	111.1	I325 L328 M386 R387	I325-I383 HydrophobicContact CD1-CD1 3.87Å; I325-I383 HydrophobicContact CG1-CD1 3.77Å; I325-I383 HydrophobicContact CG1-CG1 4.24Å; L328-I383 HydrophobicContact CD1-CG2 4.06Å; I383-M386 HydrophobicContact CG1-CE 4.4Å; I383-R387 WeakPolarHBondContact O-CG 3.34Å; I383-R387 PolarHBondContact O-N 3.24Å; I383-R387 VanDerWaalsContact O-N 3.12Å
384	S	90.1	Very high	91.5	Very high	59 Å²	59	63.5 Å²	63.5	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-55.3	-50.4	172.7	56.9	0	0	0	0	112	E382 R388	E382-S384 WeakPolarHBondContact CB-OG 3.41Å; E382-S384 PolarHBondContact O-N 2.87Å; E382-S384 PolarHBondContact OE2-OG 2.95Å; S384-R388 WeakPolarHBondContact O-CG 3.44Å; S384-R388 PolarHBondContact O-N 3.3Å
385	S	92.2	Very high	91.6	Very high	20 Å²	20	66.2 Å²	66.2	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-70.4	-40.9	-177.7	-63	0	0	0	0	112	E382 R388 I389	E382-S385 PolarHBondContact O-N 3.19Å; S385-R388 PolarHBondContact O-N 3.16Å; S385-I389 WeakPolarHBondContact O-CD1 3.38Å; S385-I389 WeakPolarHBondContact O-CG1 3.36Å; S385-I389 PolarHBondContact O-N 2.86Å
386	M	94.4	Very high	91.7	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-43.2	178.3	-71.8	-171.7	-69	0	0	111.8	L328 R329 V332 P378 L381 E382 I383 I389 L390	L328-M386 HydrophobicContact CB-CE 4.19Å; L328-M386 HydrophobicContact CB-SD 4.41Å; L328-M386 HydrophobicContact CD2-CB 4.19Å; R329-M386 HydrophobicContact CB-SD 4.33Å; R329-M386 HydrophobicContact CG-CE 3.99Å; R329-M386 HydrophobicContact CG-SD 3.55Å; R329-M386 VanDerWaalsContact CG-SD 3.55Å; V332-M386 HydrophobicContact CG2-CB 3.81Å; V332-M386 HydrophobicContact CG2-CG 4.05Å; P378-M386 HydrophobicContact CB-SD 4.33Å; L381-M386 HydrophobicContact CB-CG 3.64Å; L381-M386 HydrophobicContact CB-SD 4.34Å; L381-M386 HydrophobicContact CD1-CG 4.35Å; E382-M386 WeakPolarHBondContact O-CG 3.23Å; E382-M386 PolarHBondContact O-N 3.02Å; I383-M386 HydrophobicContact CG1-CE 4.4Å; M386-I389 PolarHBondContact O-N 2.94Å; M386-L390 WeakPolarHBondContact O-CG 3.2Å; M386-L390 PolarHBondContact O-N 2.86Å; M386-L390 VanDerWaalsContact O-N 3.13Å
387	R	91.8	Very high	91.7	Very high	147 Å²	147	67 Å²	67	56%	0.555	34%	0.338	S	S	*	.	H	α-helix	trans	-58.9	-52.4	173.3	-72.9	176.9	-178.6	173.7	0.7	111.6	L328 I383 I389 L390 D391	L328-R387 HydrophobicContact CD2-CG 3.95Å; I383-R387 WeakPolarHBondContact O-CG 3.34Å; I383-R387 PolarHBondContact O-N 3.24Å; I383-R387 VanDerWaalsContact O-N 3.12Å; R387-I389 PolarHBondContact O-N 2.82Å; R387-I389 VanDerWaalsContact O-N 3.14Å; R387-L390 CarbonylContact O-C 3.54Å; R387-L390 WeakPolarHBondContact O-CA 3.36Å; R387-L390 WeakPolarHBondContact O-CB 3.45Å; R387-L390 PolarHBondContact O-N 3.01Å; R387-D391 PolarHBondContact O-N 3.37Å; R387-D391 VanDerWaalsContact O-OD2 3.13Å
388	R	95.1	Very high	91.8	Very high	104 Å²	104	66.2 Å²	66.2	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-31.1	178.7	-68.4	179.7	71.4	-147.5	-4.3	113.6	P370 P371 S384 S385 D391 A392	P370-R388 HydrophobicContact CB-CB 4.15Å; P370-R388 HydrophobicContact CG-CB 4.11Å; P370-R388 WeakPolarHBondContact CG-O 3.38Å; P371-R388 PolarHBondContact O-NH1 3.37Å; P371-R388 PolarHBondContact O-NH2 3.41Å; S384-R388 WeakPolarHBondContact O-CG 3.44Å; S384-R388 PolarHBondContact O-N 3.3Å; S385-R388 PolarHBondContact O-N 3.16Å; R388-D391 WeakPolarHBondContact CA-OD2 3.44Å; R388-A392 WeakPolarHBondContact O-CB 3.5Å; R388-A392 PolarHBondContact O-N 2.84Å
389	I	95.5	Very high	91.8	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-70.5	-39.2	174.3	-76.2	160.6	0	0	0	111.5	V332 L335 F336 M369 P370 V373 L381 S385 M386 R387 A392 A393 I396	V332-I389 HydrophobicContact CG1-CD1 4.47Å; V332-I389 HydrophobicContact CG1-CG2 3.8Å; V332-I389 HydrophobicContact CG2-CG2 4.22Å; L335-I389 HydrophobicContact CD2-CG2 3.92Å; F336-I389 HydrophobicContact CE1-CG2 4.05Å; F336-I389 HydrophobicContact CE2-CD1 4.45Å; F336-I389 HydrophobicContact CE2-CG2 4.48Å; F336-I389 HydrophobicContact CZ-CD1 3.97Å; F336-I389 HydrophobicContact CZ-CG1 4.42Å; F336-I389 HydrophobicContact CZ-CG2 3.84Å; M369-I389 HydrophobicContact CE-CD1 4.12Å; M369-I389 HydrophobicContact CE-CG1 4.11Å; P370-I389 HydrophobicContact CG-CG1 4.2Å; V373-I389 HydrophobicContact CG1-CD1 3.73Å; V373-I389 HydrophobicContact CG1-CG1 4.01Å; L381-I389 HydrophobicContact CD1-CD1 3.55Å; L381-I389 HydrophobicContact CD2-CD1 4.12Å; L381-I389 HydrophobicContact CG-CD1 4.49Å; S385-I389 WeakPolarHBondContact O-CD1 3.38Å; S385-I389 WeakPolarHBondContact O-CG1 3.36Å; S385-I389 PolarHBondContact O-N 2.86Å; M386-I389 PolarHBondContact O-N 2.94Å; R387-I389 PolarHBondContact O-N 2.82Å; R387-I389 VanDerWaalsContact O-N 3.14Å; I389-A392 CarbonylContact O-C 3.53Å; I389-A392 PolarHBondContact O-N 2.84Å; I389-A393 PolarHBondContact O-N 3.06Å; I389-I396 HydrophobicContact CB-CD1 4.47Å; I389-I396 HydrophobicContact CG2-CD1 3.79Å; I389-I396 WeakPolarHBondContact O-CD1 3.31Å
390	L	94	Very high	91.7	Very high	49 Å²	49	68 Å²	68	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-69.9	-39.6	174.5	-62.8	169.6	0	0	0	111.5	L328 Q331 V332 L335 M386 R387 A392 A393	L328-L390 HydrophobicContact CD2-CD1 3.77Å; Q331-L390 HydrophobicContact CB-CD1 4.03Å; Q331-L390 HydrophobicContact CB-CD2 3.95Å; V332-L390 HydrophobicContact CG2-CD1 4.17Å; V332-L390 HydrophobicContact CG2-CD2 3.95Å; V332-L390 HydrophobicContact CG2-CG 3.83Å; L335-L390 HydrophobicContact CD2-CD2 4.06Å; M386-L390 WeakPolarHBondContact O-CG 3.2Å; M386-L390 PolarHBondContact O-N 2.86Å; M386-L390 VanDerWaalsContact O-N 3.13Å; R387-L390 CarbonylContact O-C 3.54Å; R387-L390 WeakPolarHBondContact O-CA 3.36Å; R387-L390 WeakPolarHBondContact O-CB 3.45Å; R387-L390 PolarHBondContact O-N 3.01Å; L390-A392 PolarHBondContact O-N 3.02Å; L390-A393 WeakPolarHBondContact O-CB 3.31Å; L390-A393 PolarHBondContact O-N 2.89Å; L390-A393 VanDerWaalsContact O-N 3.09Å
391	D	93.3	Very high	91.4	Very high	129 Å²	129	66 Å²	66	69%	0.69	33%	0.329	S	S	*	.	H	α-helix	trans	-60.9	-22.6	173.5	-55.5	-37.4	0	0	0	112.4	R387 R388	R387-D391 PolarHBondContact O-N 3.37Å; R387-D391 VanDerWaalsContact O-OD2 3.13Å; R388-D391 WeakPolarHBondContact CA-OD2 3.44Å
392	A	93.8	Very high	90.9	Very high	14 Å²	14	72.7 Å²	72.7	12%	0.116	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	10.5	178.3	0	0	0	0	0	113.9	P370 R388 I389 L390 D394 F395 I396	P370-A392 HydrophobicContact CG-CB 3.86Å; R388-A392 WeakPolarHBondContact O-CB 3.5Å; R388-A392 PolarHBondContact O-N 2.84Å; I389-A392 CarbonylContact O-C 3.53Å; I389-A392 PolarHBondContact O-N 2.84Å; L390-A392 PolarHBondContact O-N 3.02Å; A392-D394 VanDerWaalsContact C-N 3.26Å; A392-D394 PolarHBondContact O-N 2.97Å; A392-D394 VanDerWaalsContact O-N 3.11Å; A392-F395 PolarHBondContact O-N 2.95Å; A392-I396 HydrophobicContact CB-CD1 4.34Å; A392-I396 HydrophobicContact CB-CG1 4.47Å; A392-I396 WeakPolarHBondContact O-CG1 3.29Å; A392-I396 PolarHBondContact O-N 2.86Å; A392-I396 VanDerWaalsContact O-N 3.13Å
393	A	92.7	Very high	90.1	Very high	22 Å²	22	71 Å²	71	18%	0.182	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37	-170.1	0	0	0	0	0	114.6	L335 K339 I389 L390	L335-A393 HydrophobicContact CD1-CB 3.73Å; L335-A393 HydrophobicContact CD2-CB 3.72Å; L335-A393 HydrophobicContact CG-CB 4.4Å; K339-A393 WeakPolarHBondContact CE-O 3.48Å; K339-A393 PolarHBondContact NZ-O 3.11Å; I389-A393 PolarHBondContact O-N 3.06Å; L390-A393 WeakPolarHBondContact O-CB 3.31Å; L390-A393 PolarHBondContact O-N 2.89Å; L390-A393 VanDerWaalsContact O-N 3.09Å
394	D	90.3	Very high	89.3	Confident	147 Å²	147	67.9 Å²	67.9	79%	0.786	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-34.9	-180	-65.2	-33.9	0	0	0	112.6	A392	A392-D394 VanDerWaalsContact C-N 3.26Å; A392-D394 PolarHBondContact O-N 2.97Å; A392-D394 VanDerWaalsContact O-N 3.11Å
395	F	92.8	Very high	87.8	Confident	159 Å²	159	68.8 Å²	68.8	70%	0.697	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-29.6	-179.9	-58.3	-76.7	0	0	0	112.8	G368 A392 K397	G368-F395 WeakPolarHBondContact CA-O 3.44Å; A392-F395 PolarHBondContact O-N 2.95Å; F395-K397 PolarHBondContact O-N 2.81Å
396	I	94.5	Very high	86.2	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.373	C	S	.	.			trans	-63.2	127.3	-178.2	-70.3	168.8	0	0	0	110.1	L335 F336 K339 D367 G368 M369 I389 A392 F398	L335-I396 HydrophobicContact CD2-CD1 4.36Å; F336-I396 HydrophobicContact CD1-CG2 4.4Å; F336-I396 HydrophobicContact CE1-CD1 4.37Å; F336-I396 HydrophobicContact CE1-CG2 4.32Å; K339-I396 HydrophobicContact CB-CG2 4.46Å; K339-I396 WeakPolarHBondContact CD-O 3.23Å; K339-I396 WeakPolarHBondContact CE-O 3.23Å; K339-I396 HydrophobicContact CG-CG2 4.27Å; K339-I396 PolarHBondContact NZ-O 3.48Å; D367-I396 WeakPolarHBondContact O-CA 3.15Å; G368-I396 WeakPolarHBondContact O-CG1 3.42Å; M369-I396 HydrophobicContact SD-CD1 4.29Å; I389-I396 HydrophobicContact CB-CD1 4.47Å; I389-I396 HydrophobicContact CG2-CD1 3.79Å; I389-I396 WeakPolarHBondContact O-CD1 3.31Å; A392-I396 HydrophobicContact CB-CD1 4.34Å; A392-I396 HydrophobicContact CB-CG1 4.47Å; A392-I396 WeakPolarHBondContact O-CG1 3.29Å; A392-I396 PolarHBondContact O-N 2.86Å; A392-I396 VanDerWaalsContact O-N 3.13Å; I396-F398 HydrophobicContact CG2-CE2 4.26Å
397	K	92.9	Very high	84.3	Confident	121 Å²	121	73.8 Å²	73.8	53%	0.526	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	134.6	-179.8	178.8	-178.8	176.9	-174.8	0	110.1	I366 D367 F395	I366-K397 CarbonylContact C-O 3.57Å; I366-K397 WeakPolarHBondContact CA-O 3.36Å; D367-K397 HydrophobicContact CB-CB 4.41Å; D367-K397 PolarHBondContact N-O 3.27Å; D367-K397 PolarHBondContact O-N 2.68Å; F395-K397 PolarHBondContact O-N 2.81Å
398	F	93.8	Very high	82.4	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147	170.4	-68.8	-117.1	0	0	0	109.1	F336 K339 F340 A343 V352 I357 V364 V365 I366 F375 I396	F336-F398 HydrophobicContact CB-CE2 4.47Å; F336-F398 HydrophobicContact CB-CZ 4.18Å; F336-F398 AromaticContact CD1-CE2 3.91Å; F336-F398 HydrophobicContact CD1-CE2 3.91Å; F336-F398 AromaticContact CD1-CZ 3.87Å; F336-F398 HydrophobicContact CD1-CZ 3.87Å; F336-F398 HydrophobicContact CG-CZ 4.29Å; K339-F398 HydrophobicContact CB-CD2 3.67Å; K339-F398 HydrophobicContact CB-CE2 3.79Å; F340-F398 HydrophobicContact CB-CD1 4.29Å; F340-F398 HydrophobicContact CB-CE1 4.34Å; F340-F398 HydrophobicContact CB-CG 4.39Å; F340-F398 AromaticContact CD2-CD1 3.77Å; F340-F398 HydrophobicContact CD2-CD1 3.77Å; F340-F398 HydrophobicContact CD2-CE1 4.21Å; F340-F398 HydrophobicContact CD2-CG 4.35Å; A343-F398 VanDerWaalsContact CB-C 3.49Å; A343-F398 HydrophobicContact CB-CB 3.42Å; A343-F398 VanDerWaalsContact CB-CB 3.42Å; A343-F398 WeakPolarHBondContact CB-O 3.43Å; V352-F398 HydrophobicContact CG1-CE1 4.14Å; V352-F398 HydrophobicContact CG1-CZ 4.42Å; I357-F398 HydrophobicContact CD1-CD1 4.41Å; I357-F398 HydrophobicContact CD1-CE1 4.08Å; V364-F398 HydrophobicContact CG1-CB 4.35Å; V364-F398 HydrophobicContact CG1-CD1 3.96Å; V365-F398 CarbonylContact O-C 3.52Å; V365-F398 WeakPolarHBondContact O-CA 3.06Å; I366-F398 HydrophobicContact CD1-CD1 3.81Å; I366-F398 HydrophobicContact CD1-CE1 3.38Å; I366-F398 HydrophobicContact CD1-CZ 3.88Å; I366-F398 HydrophobicContact CG1-CD1 3.66Å; I366-F398 HydrophobicContact CG1-CE1 3.79Å; I366-F398 HydrophobicContact CG1-CG 4.16Å; I366-F398 HydrophobicContact CG1-CZ 4.38Å; I366-F398 HydrophobicContact CG2-CD2 4.44Å; I366-F398 HydrophobicContact CG2-CE2 4.37Å; F375-F398 AromaticContact CE2-CE1 3.99Å; F375-F398 HydrophobicContact CE2-CE1 3.99Å; F375-F398 AromaticContact CE2-CZ 3.69Å; F375-F398 HydrophobicContact CE2-CZ 3.69Å; F375-F398 AromaticContact CZ-CE1 3.86Å; F375-F398 HydrophobicContact CZ-CE1 3.86Å; F375-F398 HydrophobicContact CZ-CZ 4.01Å; I396-F398 HydrophobicContact CG2-CE2 4.26Å
399	T	89.7	Confident	80.3	Confident	48 Å²	48	69.8 Å²	69.8	29%	0.294	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	104.8	-180	-63	0	0	0	0	108.6	V364 V365 D367 I401	V364-T399 WeakPolarHBondContact CA-O 3.34Å; V365-T399 PolarHBondContact N-O 3.11Å; V365-T399 PolarHBondContact O-N 3.27Å; D367-T399 PolarHBondContact OD2-OG1 3.21Å; T399-I401 HydrophobicContact CG2-CG1 4.41Å; T399-I401 PolarHBondContact O-N 3.48Å
400	V	85.3	Confident	77.5	Confident	45 Å²	45	71 Å²	71	27%	0.273	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	100.4	-179.6	-176.4	0	0	0	0	110	A343 I344 C363 V364 L409	A343-V400 HydrophobicContact CB-CG2 4.3Å; A343-V400 WeakPolarHBondContact O-CG2 3.27Å; I344-V400 HydrophobicContact CG2-CG2 3.86Å; C363-V400 CarbonylContact O-C 3.49Å; V364-V400 HydrophobicContact CG1-CG2 4.34Å; V364-V400 HydrophobicContact CG2-CG1 4.36Å; V364-V400 HydrophobicContact CG2-CG2 4.1Å; V400-L409 HydrophobicContact CG1-CD1 3.93Å
401	I	82.9	Confident	74.7	Confident	103 Å²	103	76.3 Å²	76.3	53%	0.528	42%	0.416	S	S	.	.	S	Bend	trans	-77	-39.6	177.8	-56.6	-176.3	0	0	0	110.7	C363 V365 T399	C363-I401 PolarHBondContact O-N 2.88Å; V365-I401 HydrophobicContact CB-CD1 4.31Å; V365-I401 HydrophobicContact CG2-CD1 3.53Å; V365-I401 HydrophobicContact CG2-CG1 4.4Å; T399-I401 HydrophobicContact CG2-CG1 4.41Å; T399-I401 PolarHBondContact O-N 3.48Å
402	R	78.9	Confident	72	Confident	151 Å²	151	73 Å²	73	57%	0.57	40%	0.401	S	S	*	.	S	Bend	trans	-146.6	147.9	177.7	-71.9	179.7	-68.3	-175.3	-1.5	110.7	G362 C363 L404	G362-R402 PolarHBondContact O-NE 3.48Å; G362-R402 VanDerWaalsContact O-NE 3.08Å; G362-R402 PolarHBondContact O-NH2 3.35Å; C363-R402 WeakPolarHBondContact CB-O 3.19Å; C363-R402 PolarHBondContact O-N 2.73Å; C363-R402 VanDerWaalsContact O-O 3.09Å; R402-L404 PolarHBondContact O-N 2.92Å
403	P	71.3	Confident	68.9	Low	98 Å²	98	75.1 Å²	75.1	64%	0.636	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-56.9	134.2	174.6	-24.6	34.4	0	0	0	112.3
404	L	70.4	Confident	65.9	Low	4 Å²	4	82.8 Å²	82.8	2%	0.021	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-68.8	136	178.9	-76.8	164.1	0	0	0	111	P353 K356 I357 N360 C363 V364 R402 G406 L407	P353-L404 HydrophobicContact CG-CD1 3.88Å; K356-L404 HydrophobicContact CB-CD1 4.26Å; K356-L404 HydrophobicContact CB-CD2 4.24Å; K356-L404 WeakPolarHBondContact O-CD2 3.41Å; I357-L404 HydrophobicContact CG1-CD1 3.75Å; N360-L404 HydrophobicContact CB-CD2 3.7Å; C363-L404 HydrophobicContact CB-CD2 3.48Å; C363-L404 VanDerWaalsContact CB-CD2 3.48Å; C363-L404 HydrophobicContact CB-CG 4.03Å; V364-L404 HydrophobicContact CG2-CD1 3.73Å; V364-L404 HydrophobicContact CG2-CD2 4.33Å; V364-L404 HydrophobicContact CG2-CG 3.91Å; R402-L404 PolarHBondContact O-N 2.92Å; L404-G406 PolarHBondContact O-N 2.77Å; L404-L407 HydrophobicContact CB-CB 3.84Å; L404-L407 HydrophobicContact CB-CD2 3.84Å; L404-L407 HydrophobicContact CD1-CD2 3.66Å; L404-L407 HydrophobicContact CG-CD2 4.35Å; L404-L407 WeakPolarHBondContact O-CB 3.46Å; L404-L407 PolarHBondContact O-N 3.13Å
405	P	57.6	Low	63	Low	79 Å²	79	82.4 Å²	82.4	51%	0.513	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	124.5	-179.7	-29.6	36.2	0	0	0	113.5	K356 L407	K356-P405 PolarHBondContact NZ-O 2.92Å; P405-L407 VanDerWaalsContact C-N 3.27Å; P405-L407 PolarHBondContact O-N 3.44Å
406	G	59.3	Low	60.1	Low	76 Å²	76	80.8 Å²	80.8	78%	0.784	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	29.7	-178.2	0	0	0	0	0	114.3	K356 L404	K356-G406 PolarHBondContact NZ-O 2.88Å; L404-G406 PolarHBondContact O-N 2.77Å
407	L	54.2	Low	57.6	Low	49 Å²	49	86.5 Å²	86.5	26%	0.257	46%	0.462	S	S	.	.			trans	-119.9	111.2	170.8	-172.4	80.1	0	0	0	108.4	F340 P353 K356 L404 P405 L409	F340-L407 HydrophobicContact CZ-CD2 4.39Å; P353-L407 HydrophobicContact CB-CD1 4.11Å; P353-L407 HydrophobicContact CB-CD2 4.31Å; P353-L407 HydrophobicContact CG-CD1 4.36Å; P353-L407 HydrophobicContact CG-CD2 3.73Å; K356-L407 HydrophobicContact CD-CB 4.36Å; L404-L407 HydrophobicContact CB-CB 3.84Å; L404-L407 HydrophobicContact CB-CD2 3.84Å; L404-L407 HydrophobicContact CD1-CD2 3.66Å; L404-L407 HydrophobicContact CG-CD2 4.35Å; L404-L407 WeakPolarHBondContact O-CB 3.46Å; L404-L407 PolarHBondContact O-N 3.13Å; P405-L407 VanDerWaalsContact C-N 3.27Å; P405-L407 PolarHBondContact O-N 3.44Å; L407-L409 HydrophobicContact CD2-CD2 3.43Å; L407-L409 VanDerWaalsContact CD2-CD2 3.43Å; L407-L409 HydrophobicContact CD2-CG 3.97Å; L407-L409 HydrophobicContact CG-CD2 4.05Å; L407-L409 HydrophobicContact CG-CG 4.38Å; L407-L409 PolarHBondContact O-N 3.21Å; L407-L409 VanDerWaalsContact O-N 3.12Å
408	E	51.4	Low	55	Low	119 Å²	119	86 Å²	86	56%	0.556	47%	0.465	S	S	*	.			trans	-79.5	96.4	176.8	-64.2	-160	121.9	0	0	109.7	S410 R422	E408-S410 PolarHBondContact O-N 2.71Å; E408-R422 IonicContact OE1-CZ 3.29Å; E408-R422 VanDerWaalsContact OE1-CZ 3.25Å; E408-R422 IonicContact OE1-NH1 3.27Å; E408-R422 PolarHBondContact OE1-NH1 2.88Å; E408-R422 IonicContact OE1-NH2 2.76Å; E408-R422 PolarHBondContact OE1-NH2 3.5Å
409	L	51.4	Low	52.2	Low	48 Å²	48	90.4 Å²	90.4	25%	0.251	49%	0.486	S	S	.	.			trans	-77.3	55.6	177.5	-69.1	-179.8	0	0	0	111.8	F340 I344 V400 L407	F340-L409 HydrophobicContact CZ-CD2 4.08Å; I344-L409 HydrophobicContact CG2-CD1 4.3Å; I344-L409 HydrophobicContact CG2-CD2 3.72Å; V400-L409 HydrophobicContact CG1-CD1 3.93Å; L407-L409 HydrophobicContact CD2-CD2 3.43Å; L407-L409 VanDerWaalsContact CD2-CD2 3.43Å; L407-L409 HydrophobicContact CD2-CG 3.97Å; L407-L409 HydrophobicContact CG-CD2 4.05Å; L407-L409 HydrophobicContact CG-CG 4.38Å; L407-L409 PolarHBondContact O-N 3.21Å; L407-L409 VanDerWaalsContact O-N 3.12Å
410	S	37.8	Very low	50	Low	27 Å²	27	91.5 Å²	91.5	19%	0.189	49%	0.488	C	S	.	.			trans	-153.9	90.3	-176.3	55.8	0	0	0	0	111.7	E408	E408-S410 PolarHBondContact O-N 2.71Å
411	N	35.2	Very low	47.9	Very low	160 Å²	160	91.2 Å²	91.2	86%	0.856	49%	0.494	S	S	*	.	S	Bend	trans	-140.1	4.2	165.5	-110.4	-8.5	0	0	0	114.3
412	V	35.7	Very low	46.6	Very low	60 Å²	60	89 Å²	89	36%	0.364	48%	0.479	S	S	.	.	S	Bend	trans	-133.1	145.1	162.1	-171.7	0	0	0	0	107.3	V346 F348	V346-V412 HydrophobicContact CB-CB 4.01Å; V346-V412 HydrophobicContact CB-CG2 3.74Å; V346-V412 HydrophobicContact CG1-CB 3.56Å; V346-V412 HydrophobicContact CG1-CG1 4.49Å; V346-V412 HydrophobicContact CG1-CG2 3.6Å; F348-V412 HydrophobicContact CD1-CG2 4.24Å; F348-V412 HydrophobicContact CE1-CG2 3.21Å; F348-V412 HydrophobicContact CE2-CG2 4.4Å; F348-V412 HydrophobicContact CZ-CG2 3.31Å
413	G	29.6	Very low	45.9	Very low	58 Å²	58	86.3 Å²	86.3	60%	0.598	48%	0.479	S	S	*	.	S	Bend	trans	70.4	95.3	-153.6	0	0	0	0	0	109.2	R415	G413-R415 PolarHBondContact O-N 2.88Å; G413-R415 VanDerWaalsContact O-N 3.08Å
414	K	29.3	Very low	46.4	Very low	183 Å²	183	82.6 Å²	82.6	80%	0.796	45%	0.453	S	S	*	.			trans	-47.6	115	-170.5	-62.1	172.6	-178.2	171.8	0	112.1	Q419	K414-Q419 PolarHBondContact O-OE1 2.93Å
415	R	28.6	Very low	47	Very low	138 Å²	138	86 Å²	86	52%	0.521	47%	0.469	S	S	.	.			trans	-136.5	84.5	153.8	-80.5	-169.5	-87.4	175.8	-6.4	108.9	G413 E420	G413-R415 PolarHBondContact O-N 2.88Å; G413-R415 VanDerWaalsContact O-N 3.08Å; R415-E420 HydrophobicContact CB-CG 4.35Å; R415-E420 VanDerWaalsContact CD-CG 3.48Å; R415-E420 WeakPolarHBondContact CD-OE1 3.44Å; R415-E420 HydrophobicContact CG-CG 4.21Å; R415-E420 IonicContact CZ-OE1 3.17Å; R415-E420 IonicContact NE-OE1 3.78Å; R415-E420 IonicContact NH1-OE1 2.69Å; R415-E420 PolarHBondContact NH1-OE1 2.95Å
416	K	33.1	Very low	48.2	Very low	126 Å²	126	87.9 Å²	87.9	55%	0.548	47%	0.471	S	S	.	.			trans	-55.9	154.6	157.8	-50.2	179.8	78	-140.3	0	107.7	D418 Q419	K416-D418 VanDerWaalsContact CB-CG 3.49Å; K416-D418 VanDerWaalsContact CB-OD1 3.28Å; K416-D418 WeakPolarHBondContact CB-OD1 3.47Å; K416-D418 WeakPolarHBondContact CB-OD2 3.5Å; K416-D418 WeakPolarHBondContact CD-OD2 3.25Å; K416-D418 VanDerWaalsContact CE-OD2 3.29Å; K416-D418 WeakPolarHBondContact CE-OD2 3.48Å; K416-D418 IonicContact NZ-OD1 3.16Å; K416-D418 IonicContact NZ-OD2 2.7Å; K416-D418 PolarHBondContact NZ-OD2 2.98Å; K416-D418 PolarHBondContact O-N 3.27Å; K416-D418 VanDerWaalsContact O-N 3.14Å; K416-Q419 HydrophobicContact CB-CG 4.21Å; K416-Q419 WeakPolarHBondContact O-CB 3.48Å; K416-Q419 PolarHBondContact O-N 2.73Å
417	I	41.6	Very low	49.7	Very low	119 Å²	119	89 Å²	89	61%	0.61	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-57.3	-33.5	177.7	-71.6	173.5	0	0	0	110.6	Q419	I417-Q419 PolarHBondContact O-N 2.88Å
418	D	37.4	Very low	51.5	Low	110 Å²	110	87.2 Å²	87.2	59%	0.588	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-64.3	-8.3	170.7	31.6	-55	0	0	0	116	K416	K416-D418 VanDerWaalsContact CB-CG 3.49Å; K416-D418 VanDerWaalsContact CB-OD1 3.28Å; K416-D418 WeakPolarHBondContact CB-OD1 3.47Å; K416-D418 WeakPolarHBondContact CB-OD2 3.5Å; K416-D418 WeakPolarHBondContact CD-OD2 3.25Å; K416-D418 VanDerWaalsContact CE-OD2 3.29Å; K416-D418 WeakPolarHBondContact CE-OD2 3.48Å; K416-D418 IonicContact NZ-OD1 3.16Å; K416-D418 IonicContact NZ-OD2 2.7Å; K416-D418 PolarHBondContact NZ-OD2 2.98Å; K416-D418 PolarHBondContact O-N 3.27Å; K416-D418 VanDerWaalsContact O-N 3.14Å
419	Q	35.1	Very low	53.5	Low	98 Å²	98	82.5 Å²	82.5	46%	0.458	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-106.9	-14.3	-178.9	-73.5	179.3	-36.4	0	0	115.6	K414 K416 I417 G421	K414-Q419 PolarHBondContact O-OE1 2.93Å; K416-Q419 HydrophobicContact CB-CG 4.21Å; K416-Q419 WeakPolarHBondContact O-CB 3.48Å; K416-Q419 PolarHBondContact O-N 2.73Å; I417-Q419 PolarHBondContact O-N 2.88Å; Q419-G421 VanDerWaalsContact C-N 3.25Å; Q419-G421 PolarHBondContact O-N 3.23Å
420	E	44.4	Very low	55.3	Low	71 Å²	71	85.7 Å²	85.7	33%	0.332	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.8	179.4	-85.8	-157.9	163.7	0	0	114.5	R415 R422	R415-E420 HydrophobicContact CB-CG 4.35Å; R415-E420 VanDerWaalsContact CD-CG 3.48Å; R415-E420 WeakPolarHBondContact CD-OE1 3.44Å; R415-E420 HydrophobicContact CG-CG 4.21Å; R415-E420 IonicContact CZ-OE1 3.17Å; R415-E420 IonicContact NE-OE1 3.78Å; R415-E420 IonicContact NH1-OE1 2.69Å; R415-E420 PolarHBondContact NH1-OE1 2.95Å; E420-R422 HydrophobicContact CB-CG 3.86Å; E420-R422 PolarHBondContact O-N 3.46Å; E420-R422 IonicContact OE1-NH2 2.75Å; E420-R422 IonicContact OE2-CZ 3.7Å; E420-R422 IonicContact OE2-NE 3.02Å; E420-R422 PolarHBondContact OE2-NE 2.95Å; E420-R422 IonicContact OE2-NH2 3.82Å; E420-R422 PolarHBondContact OE2-NH2 3.21Å
421	G	42	Very low	57.8	Low	39 Å²	39	86.1 Å²	86.1	40%	0.402	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	24.1	-167.9	0	0	0	0	0	112.7	Q419 V423	Q419-G421 VanDerWaalsContact C-N 3.25Å; Q419-G421 PolarHBondContact O-N 3.23Å; G421-V423 PolarHBondContact O-N 3.49Å
422	R	54.8	Low	60.5	Low	57 Å²	57	79.8 Å²	79.8	22%	0.215	40%	0.4	C	S	.	.			trans	-65.5	15.7	167.1	-69.6	-177.2	-168.9	-175.1	8.4	113.2	E408 E420 S453	E408-R422 IonicContact OE1-CZ 3.29Å; E408-R422 VanDerWaalsContact OE1-CZ 3.25Å; E408-R422 IonicContact OE1-NH1 3.27Å; E408-R422 PolarHBondContact OE1-NH1 2.88Å; E408-R422 IonicContact OE1-NH2 2.76Å; E408-R422 PolarHBondContact OE1-NH2 3.5Å; E420-R422 HydrophobicContact CB-CG 3.86Å; E420-R422 PolarHBondContact O-N 3.46Å; E420-R422 IonicContact OE1-NH2 2.75Å; E420-R422 IonicContact OE2-CZ 3.7Å; E420-R422 IonicContact OE2-NE 3.02Å; E420-R422 PolarHBondContact OE2-NE 2.95Å; E420-R422 IonicContact OE2-NH2 3.82Å; E420-R422 PolarHBondContact OE2-NH2 3.21Å; R422-S453 WeakPolarHBondContact O-CB 3.47Å
423	V	63.5	Low	63.3	Low	93 Å²	93	76.9 Å²	76.9	56%	0.564	38%	0.382	S	S	*	.	S	Bend	trans	-63.8	144.2	171.1	-176	0	0	0	0	108.5	G421 Q425	G421-V423 PolarHBondContact O-N 3.49Å; V423-Q425 PolarHBondContact O-N 3.06Å; V423-Q425 VanDerWaalsContact O-N 3.13Å
424	F	83.1	Confident	66.4	Low	20 Å²	20	74.1 Å²	74.1	9%	0.088	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-59.6	117.1	170.7	-179.1	-92.3	0	0	0	110.8	W428 E429 F434 V435 E436 P441 L458	F424-W428 AromaticContact CD2-CE3 3.67Å; F424-W428 HydrophobicContact CD2-CE3 3.67Å; F424-W428 HydrophobicContact CD2-CZ3 4.19Å; F424-W428 HydrophobicContact CE2-CB 4.12Å; F424-W428 AromaticContact CE2-CE3 3.89Å; F424-W428 HydrophobicContact CE2-CE3 3.89Å; F424-W428 HydrophobicContact CG-CE3 4.26Å; F424-W428 HydrophobicContact CZ-CB 4.05Å; F424-E429 HydrophobicContact CE1-CG 3.67Å; F424-E429 HydrophobicContact CZ-CG 3.93Å; F424-F434 HydrophobicContact CE2-CB 3.66Å; F424-F434 HydrophobicContact CZ-CB 3.9Å; F424-V435 VanDerWaalsContact CZ-CA 3.5Å; F424-E436 HydrophobicContact CB-CB 3.8Å; F424-E436 HydrophobicContact CB-CG 4.09Å; F424-E436 WeakPolarHBondContact CB-OE1 3.24Å; F424-E436 WeakPolarHBondContact CB-OE2 3.41Å; F424-E436 HydrophobicContact CD1-CB 4.01Å; F424-E436 HydrophobicContact CD2-CB 4.42Å; F424-E436 HydrophobicContact CG-CB 3.81Å; F424-P441 HydrophobicContact CD2-CB 4.16Å; F424-P441 HydrophobicContact CD2-CG 4.24Å; F424-P441 HydrophobicContact CE2-CB 4.41Å; F424-L458 HydrophobicContact CD2-CD2 4.35Å; F424-L458 HydrophobicContact CE2-CD2 3.82Å
425	Q	81.9	Confident	69.4	Low	76 Å²	76	66.1 Å²	66.1	36%	0.355	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-87.9	125	-179.6	-59.7	-168.1	3.3	0	0	110.2	V423 K427 W428	V423-Q425 PolarHBondContact O-N 3.06Å; V423-Q425 VanDerWaalsContact O-N 3.13Å; Q425-K427 HydrophobicContact CB-CD 4.26Å; Q425-K427 HydrophobicContact CB-CG 3.99Å; Q425-K427 PolarHBondContact O-N 3.32Å; Q425-W428 HydrophobicContact CB-CD2 4.01Å; Q425-W428 HydrophobicContact CB-CE3 4.34Å; Q425-W428 HydrophobicContact CB-CG 4.43Å; Q425-W428 HydrophobicContact CB-CZ2 4.23Å; Q425-W428 HydrophobicContact CG-CH2 4.25Å; Q425-W428 HydrophobicContact CG-CZ2 4.06Å; Q425-W428 VanDerWaalsContact O-CB 3.26Å; Q425-W428 WeakPolarHBondContact O-CB 3.44Å; Q425-W428 PolarHBondContact O-N 2.54Å
426	E	84	Confident	72.3	Confident	119 Å²	119	63.1 Å²	63.1	56%	0.556	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.3	180	-166.8	-171.2	-175.1	0	0	113	W428 E429	E426-W428 PolarHBondContact O-N 2.94Å; E426-W428 VanDerWaalsContact O-N 3.1Å; E426-E429 HydrophobicContact CG-CG 4.32Å; E426-E429 VanDerWaalsContact O-CB 3.25Å; E426-E429 WeakPolarHBondContact O-CB 3.15Å; E426-E429 VanDerWaalsContact O-CG 3.29Å; E426-E429 WeakPolarHBondContact O-CG 3.32Å; E426-E429 PolarHBondContact O-N 3.05Å
427	K	89.4	Confident	74.7	Confident	100 Å²	100	58.6 Å²	58.6	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-55.7	-27	172.2	82.1	-172.1	-168.9	-168.7	0	113.2	Q425 E429 R430 A431 E455	Q425-K427 HydrophobicContact CB-CD 4.26Å; Q425-K427 HydrophobicContact CB-CG 3.99Å; Q425-K427 PolarHBondContact O-N 3.32Å; K427-E429 VanDerWaalsContact C-N 3.34Å; K427-R430 PolarHBondContact O-N 2.75Å; K427-A431 VanDerWaalsContact O-CB 3.26Å; K427-A431 WeakPolarHBondContact O-CB 3.45Å; K427-A431 PolarHBondContact O-N 2.84Å; K427-E455 WeakPolarHBondContact CE-OE2 3.06Å; K427-E455 IonicContact NZ-OE2 3.67Å; K427-E455 PolarHBondContact NZ-OE2 2.76Å
428	W	92.8	Very high	76.4	Confident	10 Å²	10	61.4 Å²	61.4	4%	0.038	31%	0.306	C	S	.	.	H	α-helix	trans	-75.5	-21.4	177.6	-59.5	-24.5	0	0	0	112.9	F424 Q425 E426 Y432 F433 E455 L458	F424-W428 AromaticContact CD2-CE3 3.67Å; F424-W428 HydrophobicContact CD2-CE3 3.67Å; F424-W428 HydrophobicContact CD2-CZ3 4.19Å; F424-W428 HydrophobicContact CE2-CB 4.12Å; F424-W428 AromaticContact CE2-CE3 3.89Å; F424-W428 HydrophobicContact CE2-CE3 3.89Å; F424-W428 HydrophobicContact CG-CE3 4.26Å; F424-W428 HydrophobicContact CZ-CB 4.05Å; Q425-W428 HydrophobicContact CB-CD2 4.01Å; Q425-W428 HydrophobicContact CB-CE3 4.34Å; Q425-W428 HydrophobicContact CB-CG 4.43Å; Q425-W428 HydrophobicContact CB-CZ2 4.23Å; Q425-W428 HydrophobicContact CG-CH2 4.25Å; Q425-W428 HydrophobicContact CG-CZ2 4.06Å; Q425-W428 VanDerWaalsContact O-CB 3.26Å; Q425-W428 WeakPolarHBondContact O-CB 3.44Å; Q425-W428 PolarHBondContact O-N 2.54Å; E426-W428 PolarHBondContact O-N 2.94Å; E426-W428 VanDerWaalsContact O-N 3.1Å; W428-Y432 HydrophobicContact CB-CD2 4.07Å; W428-Y432 AromaticContact CD1-CD2 3.97Å; W428-Y432 AromaticContact CD1-CE2 3.73Å; W428-Y432 HydrophobicContact CG-CD2 4.21Å; W428-Y432 HydrophobicContact CG-CE2 4.4Å; W428-Y432 WeakPolarHBondContact O-CA 3.27Å; W428-Y432 PolarHBondContact O-N 3.41Å; W428-F433 PolarHBondContact O-N 3.13Å; W428-E455 HydrophobicContact CZ2-CB 3.78Å; W428-E455 VanDerWaalsContact NE1-CD 3.33Å; W428-E455 PolarHBondContact NE1-OE2 2.9Å; W428-L458 HydrophobicContact CB-CD2 3.89Å; W428-L458 HydrophobicContact CD2-CD2 3.89Å; W428-L458 HydrophobicContact CE3-CD2 3.53Å; W428-L458 HydrophobicContact CG-CD2 4.07Å; W428-L458 HydrophobicContact CZ3-CD2 4.31Å
429	E	92.8	Very high	78.3	Confident	21 Å²	21	62.6 Å²	62.6	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-51	167.1	-49.2	-170.1	147	0	0	110.2	F424 E426 K427 F433 F434 V435 L482 K486	F424-E429 HydrophobicContact CE1-CG 3.67Å; F424-E429 HydrophobicContact CZ-CG 3.93Å; E426-E429 HydrophobicContact CG-CG 4.32Å; E426-E429 VanDerWaalsContact O-CB 3.25Å; E426-E429 WeakPolarHBondContact O-CB 3.15Å; E426-E429 VanDerWaalsContact O-CG 3.29Å; E426-E429 WeakPolarHBondContact O-CG 3.32Å; E426-E429 PolarHBondContact O-N 3.05Å; K427-E429 VanDerWaalsContact C-N 3.34Å; E429-F433 VanDerWaalsContact O-CA 3.24Å; E429-F433 WeakPolarHBondContact O-CA 3.42Å; E429-F433 PolarHBondContact O-N 3.36Å; E429-F434 VanDerWaalsContact CA-O 3.25Å; E429-F434 WeakPolarHBondContact CA-O 3.35Å; E429-F434 WeakPolarHBondContact CB-O 3.32Å; E429-F434 WeakPolarHBondContact CG-O 3.4Å; E429-V435 HydrophobicContact CG-CG1 4.24Å; E429-V435 WeakPolarHBondContact OE1-CG1 3.35Å; E429-L482 HydrophobicContact CB-CD1 3.97Å; E429-L482 HydrophobicContact CB-CD2 4Å; E429-K486 WeakPolarHBondContact OE1-CE 3.43Å; E429-K486 IonicContact OE1-NZ 2.63Å; E429-K486 PolarHBondContact OE1-NZ 2.94Å; E429-K486 WeakPolarHBondContact OE2-CE 3.35Å; E429-K486 IonicContact OE2-NZ 2.69Å; E429-K486 PolarHBondContact OE2-NZ 3.05Å
430	R	89.4	Confident	80.5	Confident	115 Å²	115	60.4 Å²	60.4	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-67.5	-42.6	178.9	-68.5	-178.6	159.6	122	7.6	112.1	K427 R478 E479 L482	K427-R430 PolarHBondContact O-N 2.75Å; R430-R478 WeakPolarHBondContact O-CD 3.44Å; R430-R478 PolarHBondContact O-NE 3.22Å; R430-E479 WeakPolarHBondContact CD-OE1 3.21Å; R430-E479 WeakPolarHBondContact CG-OE1 3.31Å; R430-E479 IonicContact CZ-OE1 3.73Å; R430-E479 IonicContact CZ-OE2 3.53Å; R430-E479 IonicContact NE-OE1 2.67Å; R430-E479 PolarHBondContact NE-OE1 3.42Å; R430-E479 IonicContact NE-OE2 2.67Å; R430-E479 PolarHBondContact NE-OE2 3.02Å; R430-E479 IonicContact NH2-OE1 3.98Å; R430-E479 IonicContact NH2-OE2 2.66Å; R430-E479 PolarHBondContact NH2-OE2 3.22Å; R430-L482 HydrophobicContact CG-CD2 4.04Å
431	A	89.7	Confident	82.6	Confident	35 Å²	35	57.1 Å²	57.1	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-73.9	-48.4	-177.5	0	0	0	0	0	112.5	K427 R478	K427-A431 VanDerWaalsContact O-CB 3.26Å; K427-A431 WeakPolarHBondContact O-CB 3.45Å; K427-A431 PolarHBondContact O-N 2.84Å; A431-R478 PolarHBondContact O-NH2 3.26Å
432	Y	93.4	Very high	84.9	Confident	27 Å²	27	55.8 Å²	55.8	11%	0.106	27%	0.271	C	S	.	.	H	α-helix	trans	-126.1	3.2	-162.9	-48.9	-52.3	0	0	0	114.6	W428 F434 E455 L458 R459 Y462	W428-Y432 HydrophobicContact CB-CD2 4.07Å; W428-Y432 AromaticContact CD1-CD2 3.97Å; W428-Y432 AromaticContact CD1-CE2 3.73Å; W428-Y432 HydrophobicContact CG-CD2 4.21Å; W428-Y432 HydrophobicContact CG-CE2 4.4Å; W428-Y432 WeakPolarHBondContact O-CA 3.27Å; W428-Y432 PolarHBondContact O-N 3.41Å; Y432-F434 WeakPolarHBondContact O-CD2 3.43Å; Y432-E455 HydrophobicContact CE2-CG 3.79Å; Y432-E455 PolarHBondContact OH-OE1 2.75Å; Y432-L458 HydrophobicContact CD2-CB 4.15Å; Y432-R459 HydrophobicContact CD1-CB 4.28Å; Y432-R459 HydrophobicContact CD1-CG 4.4Å; Y432-R459 HydrophobicContact CE1-CB 3.82Å; Y432-R459 HydrophobicContact CE1-CG 3.68Å; Y432-R459 HydrophobicContact CE2-CB 4.18Å; Y432-R459 PolarHBondContact OH-NE 3.15Å; Y432-R459 PolarHBondContact OH-NH2 3.15Å; Y432-Y462 AromaticContact CD1-CD1 3.99Å; Y432-Y462 HydrophobicContact CD1-CD1 3.99Å; Y432-Y462 HydrophobicContact CD1-CG 4.15Å; Y432-Y462 WeakPolarHBondContact O-CD2 3.42Å
433	F	94.4	Very high	86.7	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.			trans	51.4	55.4	-174.2	-61.1	-83.2	0	0	0	112.9	W428 E429 L444 I445 Y462 Y470 R478 K481 L482 L485	W428-F433 PolarHBondContact O-N 3.13Å; E429-F433 VanDerWaalsContact O-CA 3.24Å; E429-F433 WeakPolarHBondContact O-CA 3.42Å; E429-F433 PolarHBondContact O-N 3.36Å; F433-L444 HydrophobicContact CB-CB 4.27Å; F433-L444 VanDerWaalsContact O-CB 3.31Å; F433-L444 WeakPolarHBondContact O-CB 3.41Å; F433-L444 PolarHBondContact O-N 3.49Å; F433-I445 HydrophobicContact CB-CD1 3.78Å; F433-I445 HydrophobicContact CB-CG1 3.9Å; F433-I445 HydrophobicContact CD2-CD1 3.95Å; F433-I445 HydrophobicContact CG-CD1 4.09Å; F433-I445 HydrophobicContact CG-CG1 4.4Å; F433-Y462 HydrophobicContact CD2-CD2 4.42Å; F433-Y462 AromaticContact CD2-CE2 3.77Å; F433-Y462 HydrophobicContact CD2-CE2 3.77Å; F433-Y462 HydrophobicContact CE2-CE2 4.27Å; F433-Y470 HydrophobicContact CD2-CD1 4.2Å; F433-Y470 AromaticContact CE2-CD1 3.83Å; F433-Y470 HydrophobicContact CE2-CD1 3.83Å; F433-Y470 HydrophobicContact CE2-CG 4.32Å; F433-Y470 HydrophobicContact CZ-CD1 4.17Å; F433-R478 HydrophobicContact CE1-CG 4.36Å; F433-R478 HydrophobicContact CE2-CG 4.36Å; F433-R478 HydrophobicContact CZ-CG 3.68Å; F433-K481 HydrophobicContact CE1-CB 4.28Å; F433-K481 HydrophobicContact CE1-CG 4.41Å; F433-K481 HydrophobicContact CZ-CB 4.46Å; F433-L482 HydrophobicContact CD1-CB 4.38Å; F433-L482 HydrophobicContact CD1-CD1 4.14Å; F433-L482 HydrophobicContact CE1-CB 4.1Å; F433-L485 HydrophobicContact CB-CD1 4.45Å; F433-L485 HydrophobicContact CD1-CD1 3.68Å; F433-L485 HydrophobicContact CE1-CD1 4.12Å; F433-L485 HydrophobicContact CG-CD1 4.2Å
434	F	94.4	Very high	88	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	167	163.9	-83.5	-102.2	0	0	0	111	F424 E429 Y432 P441 T442 C443 V450 L458 H461	F424-F434 HydrophobicContact CE2-CB 3.66Å; F424-F434 HydrophobicContact CZ-CB 3.9Å; E429-F434 VanDerWaalsContact CA-O 3.25Å; E429-F434 WeakPolarHBondContact CA-O 3.35Å; E429-F434 WeakPolarHBondContact CB-O 3.32Å; E429-F434 WeakPolarHBondContact CG-O 3.4Å; Y432-F434 WeakPolarHBondContact O-CD2 3.43Å; F434-P441 HydrophobicContact CD1-CB 3.96Å; F434-P441 HydrophobicContact CE1-CB 4.49Å; F434-T442 CarbonylContact C-O 3.53Å; F434-T442 WeakPolarHBondContact CA-O 3.43Å; F434-T442 WeakPolarHBondContact CD1-O 3.21Å; F434-C443 HydrophobicContact CD1-CB 4.23Å; F434-C443 HydrophobicContact CE1-CB 3.78Å; F434-C443 HydrophobicContact CE2-CB 4.15Å; F434-C443 HydrophobicContact CZ-CB 3.74Å; F434-V450 HydrophobicContact CE1-CB 4.04Å; F434-V450 HydrophobicContact CE1-CG2 3.59Å; F434-V450 HydrophobicContact CZ-CG2 3.74Å; F434-L458 HydrophobicContact CB-CD2 3.82Å; F434-L458 HydrophobicContact CB-CG 4.47Å; F434-L458 HydrophobicContact CD1-CD2 4.07Å; F434-L458 HydrophobicContact CD1-CG 3.88Å; F434-L458 HydrophobicContact CD2-CB 3.93Å; F434-L458 HydrophobicContact CD2-CD2 4.05Å; F434-L458 HydrophobicContact CD2-CG 3.87Å; F434-L458 HydrophobicContact CE1-CG 4.05Å; F434-L458 HydrophobicContact CE2-CB 3.92Å; F434-L458 HydrophobicContact CE2-CG 4.03Å; F434-L458 HydrophobicContact CG-CB 4.38Å; F434-L458 HydrophobicContact CG-CD2 3.71Å; F434-L458 HydrophobicContact CG-CG 3.8Å; F434-L458 HydrophobicContact CZ-CB 4.36Å; F434-L458 HydrophobicContact CZ-CG 4.12Å; F434-H461 HydrophobicContact CE2-CB 4.44Å; F434-H461 AromaticContact CE2-CD2 3.74Å; F434-H461 HydrophobicContact CZ-CB 4.12Å; F434-H461 AromaticContact CZ-CD2 3.54Å; F434-H461 AromaticContact CZ-CG 3.77Å
435	V	92	Very high	88.4	Confident	14 Å²	14	49 Å²	49	9%	0.085	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	166	158.5	-75.1	0	0	0	0	109.7	F424 E429 V437 P441 T442 L444 K486 L489	F424-V435 VanDerWaalsContact CZ-CA 3.5Å; E429-V435 HydrophobicContact CG-CG1 4.24Å; E429-V435 WeakPolarHBondContact OE1-CG1 3.35Å; V435-V437 HydrophobicContact CG2-CG2 4.13Å; V435-P441 CarbonylContact O-C 3.58Å; V435-P441 WeakPolarHBondContact O-CA 3.36Å; V435-T442 PolarHBondContact N-O 3.49Å; V435-T442 PolarHBondContact O-N 3.1Å; V435-L444 HydrophobicContact CB-CD2 4.5Å; V435-L444 HydrophobicContact CG1-CD1 3.95Å; V435-L444 HydrophobicContact CG1-CD2 4.03Å; V435-L444 HydrophobicContact CG1-CG 4.05Å; V435-L444 HydrophobicContact CG2-CD2 3.71Å; V435-L444 HydrophobicContact CG2-CG 4.09Å; V435-K486 HydrophobicContact CG1-CD 4.47Å; V435-K486 VanDerWaalsContact CG1-CE 3.49Å; V435-K486 HydrophobicContact CG1-CG 4.2Å; V435-L489 HydrophobicContact CG2-CD2 3.35Å
436	E	89.2	Confident	88.7	Confident	76 Å²	76	46.4 Å²	46.4	36%	0.355	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.3	168.5	-163.7	156.5	-121.5	0	0	111	F424	F424-E436 HydrophobicContact CB-CB 3.8Å; F424-E436 HydrophobicContact CB-CG 4.09Å; F424-E436 WeakPolarHBondContact CB-OE1 3.24Å; F424-E436 WeakPolarHBondContact CB-OE2 3.41Å; F424-E436 HydrophobicContact CD1-CB 4.01Å; F424-E436 HydrophobicContact CD2-CB 4.42Å; F424-E436 HydrophobicContact CG-CB 3.81Å
437	V	82.5	Confident	88.8	Confident	30 Å²	30	43.5 Å²	43.5	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.5	172.4	-177.2	0	0	0	0	107	V435 N439 I440 T442 L489 L493	V435-V437 HydrophobicContact CG2-CG2 4.13Å; V437-N439 PolarHBondContact O-N 2.88Å; V437-I440 PolarHBondContact N-O 3.41Å; V437-I440 WeakPolarHBondContact O-CB 3.31Å; V437-I440 PolarHBondContact O-N 2.75Å; V437-T442 WeakPolarHBondContact CG2-OG1 3.26Å; V437-L489 HydrophobicContact CG2-CD2 3.87Å; V437-L493 HydrophobicContact CG1-CD1 3.79Å; V437-L493 HydrophobicContact CG1-CD2 4.29Å; V437-L493 HydrophobicContact CG2-CD1 4.01Å
438	Q	79.1	Confident	88.7	Confident	179 Å²	179	43.4 Å²	43.4	84%	0.836	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	43.4	-178.9	-61.6	178.4	-17.4	0	0	113	I440	Q438-I440 VanDerWaalsContact C-N 3.25Å; Q438-I440 PolarHBondContact O-N 3.22Å
439	N	75.7	Confident	88.3	Confident	135 Å²	135	46.3 Å²	46.3	72%	0.722	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	16.7	-176.2	-51.2	-17.6	0	0	0	115.4	V437	V437-N439 PolarHBondContact O-N 2.88Å
440	I	82	Confident	87.8	Confident	52 Å²	52	46.2 Å²	46.2	27%	0.267	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.1	177.3	-56.6	172.5	0	0	0	109.8	V437 Q438 T442	V437-I440 PolarHBondContact N-O 3.41Å; V437-I440 WeakPolarHBondContact O-CB 3.31Å; V437-I440 PolarHBondContact O-N 2.75Å; Q438-I440 VanDerWaalsContact C-N 3.25Å; Q438-I440 PolarHBondContact O-N 3.22Å; I440-T442 PolarHBondContact O-N 2.97Å; I440-T442 VanDerWaalsContact O-N 3.1Å
441	P	88.5	Confident	87	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.013	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	106.3	171.5	-22.3	31	0	0	0	112.7	F424 F434 V435 S449 V450 S453 L458	F424-P441 HydrophobicContact CD2-CB 4.16Å; F424-P441 HydrophobicContact CD2-CG 4.24Å; F424-P441 HydrophobicContact CE2-CB 4.41Å; F434-P441 HydrophobicContact CD1-CB 3.96Å; F434-P441 HydrophobicContact CE1-CB 4.49Å; V435-P441 CarbonylContact O-C 3.58Å; V435-P441 WeakPolarHBondContact O-CA 3.36Å; P441-S449 WeakPolarHBondContact O-CA 3.21Å; P441-V450 WeakPolarHBondContact CD-O 3.37Å; P441-V450 PolarHBondContact O-N 3.34Å; P441-S453 WeakPolarHBondContact CD-OG 3.16Å; P441-S453 WeakPolarHBondContact CG-OG 3.45Å; P441-L458 HydrophobicContact CB-CD1 4.21Å; P441-L458 HydrophobicContact CB-CD2 4.33Å; P441-L458 HydrophobicContact CB-CG 4.46Å
442	T	89.6	Confident	86.4	Confident	10 Å²	10	47.4 Å²	47.4	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.9	175.4	-53.6	0	0	0	0	110.4	F434 V435 V437 I440 L444 K447 S449 L489	F434-T442 CarbonylContact C-O 3.53Å; F434-T442 WeakPolarHBondContact CA-O 3.43Å; F434-T442 WeakPolarHBondContact CD1-O 3.21Å; V435-T442 PolarHBondContact N-O 3.49Å; V435-T442 PolarHBondContact O-N 3.1Å; V437-T442 WeakPolarHBondContact CG2-OG1 3.26Å; I440-T442 PolarHBondContact O-N 2.97Å; I440-T442 VanDerWaalsContact O-N 3.1Å; T442-L444 PolarHBondContact O-N 3.36Å; T442-K447 WeakPolarHBondContact CG2-O 3.37Å; T442-S449 PolarHBondContact OG1-OG 3.17Å; T442-L489 HydrophobicContact CG2-CD1 4.37Å
443	C	93	Very high	85.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	123.5	173.2	-175.4	0	0	0	0	110.4	F434 I445 K447 Q448 H461 H466	F434-C443 HydrophobicContact CD1-CB 4.23Å; F434-C443 HydrophobicContact CE1-CB 3.78Å; F434-C443 HydrophobicContact CE2-CB 4.15Å; F434-C443 HydrophobicContact CZ-CB 3.74Å; C443-I445 PolarHBondContact O-N 2.83Å; C443-I445 PolarHBondContact SG-N 3.02Å; C443-I445 VanDerWaalsContact SG-N 3.43Å; C443-K447 WeakPolarHBondContact O-CA 3.37Å; C443-K447 PolarHBondContact O-N 2.92Å; C443-Q448 PolarHBondContact N-O 2.84Å; C443-H461 PolarHBondContact SG-NE2 3.4Å; C443-H466 PolarHBondContact SG-NE2 3.25Å; C443-H466 VanDerWaalsContact SG-NE2 3.42Å
444	L	91.7	Very high	85.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.6	176.6	-77.6	175.9	0	0	0	113.4	F433 V435 T442 K447 L482 L485 K486 L489	F433-L444 HydrophobicContact CB-CB 4.27Å; F433-L444 VanDerWaalsContact O-CB 3.31Å; F433-L444 WeakPolarHBondContact O-CB 3.41Å; F433-L444 PolarHBondContact O-N 3.49Å; V435-L444 HydrophobicContact CB-CD2 4.5Å; V435-L444 HydrophobicContact CG1-CD1 3.95Å; V435-L444 HydrophobicContact CG1-CD2 4.03Å; V435-L444 HydrophobicContact CG1-CG 4.05Å; V435-L444 HydrophobicContact CG2-CD2 3.71Å; V435-L444 HydrophobicContact CG2-CG 4.09Å; T442-L444 PolarHBondContact O-N 3.36Å; L444-K447 PolarHBondContact O-NZ 3.14Å; L444-L482 HydrophobicContact CD1-CD1 3.34Å; L444-L485 HydrophobicContact CB-CB 3.94Å; L444-L485 HydrophobicContact CB-CD1 4.39Å; L444-L485 HydrophobicContact CD1-CB 4.42Å; L444-K486 HydrophobicContact CD1-CG 3.91Å; L444-K486 HydrophobicContact CD2-CG 4.07Å; L444-L489 HydrophobicContact CD2-CB 3.94Å; L444-L489 HydrophobicContact CD2-CD2 3.79Å
445	I	90.7	Very high	84.9	Confident	29 Å²	29	53.8 Å²	53.8	15%	0.149	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-71.9	-178.2	-58.6	167.1	0	0	0	109.7	F433 C443 Y462 H466 Y470 L485	F433-I445 HydrophobicContact CB-CD1 3.78Å; F433-I445 HydrophobicContact CB-CG1 3.9Å; F433-I445 HydrophobicContact CD2-CD1 3.95Å; F433-I445 HydrophobicContact CG-CD1 4.09Å; F433-I445 HydrophobicContact CG-CG1 4.4Å; C443-I445 PolarHBondContact O-N 2.83Å; C443-I445 PolarHBondContact SG-N 3.02Å; C443-I445 VanDerWaalsContact SG-N 3.43Å; I445-Y462 HydrophobicContact CD1-CD2 4.44Å; I445-Y462 HydrophobicContact CD1-CE2 4.38Å; I445-H466 HydrophobicContact CD1-CB 3.68Å; I445-H466 WeakPolarHBondContact CG2-ND1 3.45Å; I445-Y470 HydrophobicContact CD1-CD1 3.83Å; I445-Y470 HydrophobicContact CD1-CD2 3.66Å; I445-Y470 HydrophobicContact CD1-CE1 3.97Å; I445-Y470 HydrophobicContact CD1-CE2 3.81Å; I445-Y470 HydrophobicContact CD1-CG 3.68Å; I445-Y470 HydrophobicContact CG1-CD1 4.38Å; I445-Y470 HydrophobicContact CG1-CD2 4.49Å; I445-Y470 HydrophobicContact CG1-CE1 4.04Å; I445-Y470 HydrophobicContact CG1-CE2 4.15Å; I445-Y470 HydrophobicContact CG2-CD2 4.46Å; I445-Y470 HydrophobicContact CG2-CE2 3.65Å; I445-L485 HydrophobicContact CG1-CD1 3.89Å
446	C	88.5	Confident	84.6	Confident	20 Å²	20	60 Å²	60	14%	0.135	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8.6	-175.4	65.1	0	0	0	0	115.4	Q448 H461 H466	C446-Q448 PolarHBondContact O-N 2.76Å; C446-H461 VanDerWaalsContact SG-CE1 3.5Å; C446-H461 PolarHBondContact SG-NE2 2.75Å; C446-H466 VanDerWaalsContact SG-CE1 3.56Å; C446-H466 PolarHBondContact SG-NE2 2.92Å; C446-H466 VanDerWaalsContact SG-NE2 3.4Å
447	K	87.2	Confident	84.6	Confident	59 Å²	59	58.7 Å²	58.7	26%	0.257	31%	0.308	S	S	.	.			trans	61.4	1.4	178	-40.3	-54	173.5	-170.5	0	116.2	T442 C443 L444 L489	T442-K447 WeakPolarHBondContact CG2-O 3.37Å; C443-K447 WeakPolarHBondContact O-CA 3.37Å; C443-K447 PolarHBondContact O-N 2.92Å; L444-K447 PolarHBondContact O-NZ 3.14Å; K447-L489 HydrophobicContact CD-CD1 4.03Å
448	Q	85.8	Confident	85	Confident	97 Å²	97	57.3 Å²	57.3	45%	0.453	30%	0.299	S	S	.	.			trans	-66.7	134.1	176	-68.5	179.9	0	0	0	111.3	C443 C446 H461	C443-Q448 PolarHBondContact N-O 2.84Å; C446-Q448 PolarHBondContact O-N 2.76Å; Q448-H461 PolarHBondContact OE1-CE1 2.79Å; Q448-H461 VanDerWaalsContact OE1-CE1 3.27Å
449	S	85.7	Confident	85.6	Confident	71 Å²	71	53.5 Å²	53.5	50%	0.497	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-85.7	138.6	172.4	-74.6	0	0	0	0	111.8	P441 T442	P441-S449 WeakPolarHBondContact O-CA 3.21Å; T442-S449 PolarHBondContact OG1-OG 3.17Å
450	V	81.6	Confident	86.3	Confident	20 Å²	20	53.9 Å²	53.9	12%	0.121	27%	0.268	C	S	.	.			trans	-109	110.8	174.8	169.6	0	0	0	0	108.1	F434 P441 V452 N457 L458	F434-V450 HydrophobicContact CE1-CB 4.04Å; F434-V450 HydrophobicContact CE1-CG2 3.59Å; F434-V450 HydrophobicContact CZ-CG2 3.74Å; P441-V450 WeakPolarHBondContact CD-O 3.37Å; P441-V450 PolarHBondContact O-N 3.34Å; V450-V452 PolarHBondContact O-N 2.84Å; V450-N457 HydrophobicContact CG1-CB 3.61Å; V450-L458 HydrophobicContact CG1-CD1 4.13Å
451	S	73.1	Confident	86.6	Confident	117 Å²	117	52.3 Å²	52.3	82%	0.818	26%	0.26	S	S	*	.	S	Bend	trans	-63.2	-3.2	-169.3	55.6	0	0	0	0	116.7
452	V	77.3	Confident	86.8	Confident	57 Å²	57	52.6 Å²	52.6	35%	0.345	26%	0.261	S	S	.	.	S	Bend	trans	-143.8	116.1	-178.2	176.1	0	0	0	0	110.6	V450 K454 N457	V450-V452 PolarHBondContact O-N 2.84Å; V452-K454 HydrophobicContact CG1-CB 4.27Å; V452-K454 HydrophobicContact CG1-CD 3.71Å; V452-K454 HydrophobicContact CG1-CG 3.78Å; V452-K454 PolarHBondContact O-N 3.09Å; V452-N457 PolarHBondContact O-ND2 3.18Å
453	S	79.3	Confident	86.9	Confident	21 Å²	21	57.6 Å²	57.6	15%	0.147	28%	0.283	C	S	.	.			trans	-66.3	62.9	177.1	-51.9	0	0	0	0	114	R422 P441	R422-S453 WeakPolarHBondContact O-CB 3.47Å; P441-S453 WeakPolarHBondContact CD-OG 3.16Å; P441-S453 WeakPolarHBondContact CG-OG 3.45Å
454	K	82.7	Confident	86.6	Confident	88 Å²	88	62.1 Å²	62.1	38%	0.383	31%	0.311	S	S	.	.			trans	-121.5	129.5	175.1	-75.2	176.4	-175.5	178.4	0	110	V452 Y456 N457 L458	V452-K454 HydrophobicContact CG1-CB 4.27Å; V452-K454 HydrophobicContact CG1-CD 3.71Å; V452-K454 HydrophobicContact CG1-CG 3.78Å; V452-K454 PolarHBondContact O-N 3.09Å; K454-Y456 PolarHBondContact O-N 3.31Å; K454-Y456 VanDerWaalsContact O-N 3.08Å; K454-N457 WeakPolarHBondContact O-CB 3.45Å; K454-N457 PolarHBondContact O-N 2.99Å; K454-L458 WeakPolarHBondContact O-CD1 3.21Å; K454-L458 PolarHBondContact O-N 3.21Å
455	E	87.6	Confident	86.3	Confident	53 Å²	53	65.8 Å²	65.8	25%	0.248	33%	0.331	C	S	.	.	H	α-helix	trans	-51.3	-37.7	-177.1	-173.4	162.3	148	0	0	113.4	K427 W428 Y432 N457 L458 R459	K427-E455 WeakPolarHBondContact CE-OE2 3.06Å; K427-E455 IonicContact NZ-OE2 3.67Å; K427-E455 PolarHBondContact NZ-OE2 2.76Å; W428-E455 HydrophobicContact CZ2-CB 3.78Å; W428-E455 VanDerWaalsContact NE1-CD 3.33Å; W428-E455 PolarHBondContact NE1-OE2 2.9Å; Y432-E455 HydrophobicContact CE2-CG 3.79Å; Y432-E455 PolarHBondContact OH-OE1 2.75Å; E455-N457 VanDerWaalsContact C-N 3.32Å; E455-N457 PolarHBondContact O-N 3.48Å; E455-L458 PolarHBondContact O-N 3.04Å; E455-R459 WeakPolarHBondContact O-CB 3.38Å; E455-R459 PolarHBondContact O-N 3.22Å; E455-R459 IonicContact OE1-CZ 2.75Å; E455-R459 IonicContact OE1-NE 3.35Å; E455-R459 IonicContact OE1-NH2 2.68Å; E455-R459 PolarHBondContact OE1-NH2 3.11Å
456	Y	86.5	Confident	86.4	Confident	143 Å²	143	65 Å²	65	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-55.9	-42.1	174.5	170.2	-95.7	0	0	0	113.1	K454 R460	K454-Y456 PolarHBondContact O-N 3.31Å; K454-Y456 VanDerWaalsContact O-N 3.08Å; Y456-R460 WeakPolarHBondContact O-CB 3.21Å; Y456-R460 PolarHBondContact O-N 3.09Å; Y456-R460 WeakPolarHBondContact OH-CD 3.19Å; Y456-R460 PolarHBondContact OH-NH1 2.75Å
457	N	87.8	Confident	86.3	Confident	50 Å²	50	65.4 Å²	65.4	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-68.7	-49	-177.7	-61.4	-18.1	0	0	0	110.8	V450 V452 K454 E455 R460 H461	V450-N457 HydrophobicContact CG1-CB 3.61Å; V452-N457 PolarHBondContact O-ND2 3.18Å; K454-N457 WeakPolarHBondContact O-CB 3.45Å; K454-N457 PolarHBondContact O-N 2.99Å; E455-N457 VanDerWaalsContact C-N 3.32Å; E455-N457 PolarHBondContact O-N 3.48Å; N457-R460 PolarHBondContact O-N 3.32Å; N457-H461 WeakPolarHBondContact O-CB 3.4Å; N457-H461 PolarHBondContact O-N 2.98Å
458	L	90.8	Very high	86.3	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-44.4	179.9	-76.1	69.9	0	0	0	110.6	F424 W428 Y432 F434 P441 V450 K454 E455 Y462	F424-L458 HydrophobicContact CD2-CD2 4.35Å; F424-L458 HydrophobicContact CE2-CD2 3.82Å; W428-L458 HydrophobicContact CB-CD2 3.89Å; W428-L458 HydrophobicContact CD2-CD2 3.89Å; W428-L458 HydrophobicContact CE3-CD2 3.53Å; W428-L458 HydrophobicContact CG-CD2 4.07Å; W428-L458 HydrophobicContact CZ3-CD2 4.31Å; Y432-L458 HydrophobicContact CD2-CB 4.15Å; F434-L458 HydrophobicContact CB-CD2 3.82Å; F434-L458 HydrophobicContact CB-CG 4.47Å; F434-L458 HydrophobicContact CD1-CD2 4.07Å; F434-L458 HydrophobicContact CD1-CG 3.88Å; F434-L458 HydrophobicContact CD2-CB 3.93Å; F434-L458 HydrophobicContact CD2-CD2 4.05Å; F434-L458 HydrophobicContact CD2-CG 3.87Å; F434-L458 HydrophobicContact CE1-CG 4.05Å; F434-L458 HydrophobicContact CE2-CB 3.92Å; F434-L458 HydrophobicContact CE2-CG 4.03Å; F434-L458 HydrophobicContact CG-CB 4.38Å; F434-L458 HydrophobicContact CG-CD2 3.71Å; F434-L458 HydrophobicContact CG-CG 3.8Å; F434-L458 HydrophobicContact CZ-CB 4.36Å; F434-L458 HydrophobicContact CZ-CG 4.12Å; P441-L458 HydrophobicContact CB-CD1 4.21Å; P441-L458 HydrophobicContact CB-CD2 4.33Å; P441-L458 HydrophobicContact CB-CG 4.46Å; V450-L458 HydrophobicContact CG1-CD1 4.13Å; K454-L458 WeakPolarHBondContact O-CD1 3.21Å; K454-L458 PolarHBondContact O-N 3.21Å; E455-L458 PolarHBondContact O-N 3.04Å; L458-Y462 WeakPolarHBondContact O-CB 3.06Å; L458-Y462 PolarHBondContact O-N 2.95Å
459	R	92.1	Very high	86.2	Confident	100 Å²	100	74.1 Å²	74.1	38%	0.377	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-48	175.3	-175.1	-172.3	-62.7	-166.7	0.8	111.4	Y432 E455 Y462 Q463	Y432-R459 HydrophobicContact CD1-CB 4.28Å; Y432-R459 HydrophobicContact CD1-CG 4.4Å; Y432-R459 HydrophobicContact CE1-CB 3.82Å; Y432-R459 HydrophobicContact CE1-CG 3.68Å; Y432-R459 HydrophobicContact CE2-CB 4.18Å; Y432-R459 PolarHBondContact OH-NE 3.15Å; Y432-R459 PolarHBondContact OH-NH2 3.15Å; E455-R459 WeakPolarHBondContact O-CB 3.38Å; E455-R459 PolarHBondContact O-N 3.22Å; E455-R459 IonicContact OE1-CZ 2.75Å; E455-R459 IonicContact OE1-NE 3.35Å; E455-R459 IonicContact OE1-NH2 2.68Å; E455-R459 PolarHBondContact OE1-NH2 3.11Å; R459-Y462 PolarHBondContact O-N 3.35Å; R459-Q463 HydrophobicContact CG-CG 4.29Å; R459-Q463 VanDerWaalsContact O-CB 3.29Å; R459-Q463 WeakPolarHBondContact O-CB 3.39Å; R459-Q463 VanDerWaalsContact O-CG 3.26Å; R459-Q463 WeakPolarHBondContact O-CG 3.36Å; R459-Q463 PolarHBondContact O-N 2.79Å
460	R	89.9	Confident	86.4	Confident	143 Å²	143	72.6 Å²	72.6	54%	0.54	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-49.7	178.7	178	173.2	172.5	177.8	-6.2	110.9	Y456 N457 Y462 Q463 T464	Y456-R460 WeakPolarHBondContact O-CB 3.21Å; Y456-R460 PolarHBondContact O-N 3.09Å; Y456-R460 WeakPolarHBondContact OH-CD 3.19Å; Y456-R460 PolarHBondContact OH-NH1 2.75Å; N457-R460 PolarHBondContact O-N 3.32Å; R460-Y462 VanDerWaalsContact C-N 3.35Å; R460-Y462 PolarHBondContact O-N 3.13Å; R460-Q463 PolarHBondContact O-N 2.79Å; R460-T464 HydrophobicContact CG-CG2 4.39Å; R460-T464 WeakPolarHBondContact O-CG2 3.43Å; R460-T464 PolarHBondContact O-N 2.8Å; R460-T464 PolarHBondContact O-OG1 3.45Å; R460-T464 VanDerWaalsContact O-OG1 3.11Å
461	H	89.5	Confident	86.7	Confident	19 Å²	19	76.4 Å²	76.4	9%	0.088	37%	0.365	C	S	.	.	H	α-helix	trans	-55.5	-48.5	176.1	174.2	106.4	0	0	0	111.6	F434 C443 C446 Q448 N457 T464 N465 H466	F434-H461 HydrophobicContact CE2-CB 4.44Å; F434-H461 AromaticContact CE2-CD2 3.74Å; F434-H461 HydrophobicContact CZ-CB 4.12Å; F434-H461 AromaticContact CZ-CD2 3.54Å; F434-H461 AromaticContact CZ-CG 3.77Å; C443-H461 PolarHBondContact SG-NE2 3.4Å; C446-H461 VanDerWaalsContact SG-CE1 3.5Å; C446-H461 PolarHBondContact SG-NE2 2.75Å; Q448-H461 PolarHBondContact OE1-CE1 2.79Å; Q448-H461 VanDerWaalsContact OE1-CE1 3.27Å; N457-H461 WeakPolarHBondContact O-CB 3.4Å; N457-H461 PolarHBondContact O-N 2.98Å; H461-T464 PolarHBondContact O-OG1 2.82Å; H461-N465 PolarHBondContact CE1-ND2 2.96Å; H461-N465 VanDerWaalsContact CE1-ND2 3.3Å; H461-N465 PolarHBondContact ND1-ND2 3.45Å; H461-N465 WeakPolarHBondContact O-CB 3.07Å; H461-N465 PolarHBondContact O-N 3.15Å; H461-N465 PolarHBondContact O-ND2 3.32Å; H461-H466 AromaticContact CD2-CD2 3.71Å; H461-H466 AromaticContact CD2-NE2 3.54Å; H461-H466 AromaticContact NE2-CD2 3.65Å; H461-H466 AromaticContact NE2-NE2 2.98Å; H461-H466 PolarHBondContact NE2-NE2 2.92Å
462	Y	92.5	Very high	87.5	Confident	7 Å²	7	77.6 Å²	77.6	3%	0.027	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-43	177.2	175	-93.9	0	0	0	112	Y432 F433 I445 L458 R459 R460 H466 S467 Y470 D471 R478	Y432-Y462 AromaticContact CD1-CD1 3.99Å; Y432-Y462 HydrophobicContact CD1-CD1 3.99Å; Y432-Y462 HydrophobicContact CD1-CG 4.15Å; Y432-Y462 WeakPolarHBondContact O-CD2 3.42Å; F433-Y462 HydrophobicContact CD2-CD2 4.42Å; F433-Y462 AromaticContact CD2-CE2 3.77Å; F433-Y462 HydrophobicContact CD2-CE2 3.77Å; F433-Y462 HydrophobicContact CE2-CE2 4.27Å; I445-Y462 HydrophobicContact CD1-CD2 4.44Å; I445-Y462 HydrophobicContact CD1-CE2 4.38Å; L458-Y462 WeakPolarHBondContact O-CB 3.06Å; L458-Y462 PolarHBondContact O-N 2.95Å; R459-Y462 PolarHBondContact O-N 3.35Å; R460-Y462 VanDerWaalsContact C-N 3.35Å; R460-Y462 PolarHBondContact O-N 3.13Å; Y462-H466 HydrophobicContact CD2-CB 3.78Å; Y462-H466 HydrophobicContact CE2-CB 3.99Å; Y462-H466 CarbonylContact O-C 3.48Å; Y462-H466 WeakPolarHBondContact O-CA 3.41Å; Y462-H466 PolarHBondContact O-N 2.92Å; Y462-S467 PolarHBondContact O-N 2.89Å; Y462-Y470 VanDerWaalsContact OH-C 3.22Å; Y462-Y470 WeakPolarHBondContact OH-CB 3.38Å; Y462-Y470 PolarHBondContact OH-O 2.84Å; Y462-D471 WeakPolarHBondContact CE1-OD1 3.39Å; Y462-D471 VanDerWaalsContact CZ-OD1 3.24Å; Y462-D471 PolarHBondContact OH-N 2.85Å; Y462-D471 PolarHBondContact OH-OD1 3.27Å; Y462-R478 PolarHBondContact OH-NH2 3.02Å
463	Q	91.2	Very high	88	Confident	115 Å²	115	77.8 Å²	77.8	54%	0.537	35%	0.352	S	S	.	.	H	α-helix	trans	-66.6	-38.4	-179.8	-77.2	179	-36.5	0	0	113.4	R459 R460 S467	R459-Q463 HydrophobicContact CG-CG 4.29Å; R459-Q463 VanDerWaalsContact O-CB 3.29Å; R459-Q463 WeakPolarHBondContact O-CB 3.39Å; R459-Q463 VanDerWaalsContact O-CG 3.26Å; R459-Q463 WeakPolarHBondContact O-CG 3.36Å; R459-Q463 PolarHBondContact O-N 2.79Å; R460-Q463 PolarHBondContact O-N 2.79Å; Q463-S467 PolarHBondContact O-OG 3.36Å
464	T	87.9	Confident	88.2	Confident	96 Å²	96	81 Å²	81	59%	0.589	38%	0.375	S	S	*	.	H	α-helix	trans	-78.6	-35.1	178.5	55.8	0	0	0	0	113	R460 H461	R460-T464 HydrophobicContact CG-CG2 4.39Å; R460-T464 WeakPolarHBondContact O-CG2 3.43Å; R460-T464 PolarHBondContact O-N 2.8Å; R460-T464 PolarHBondContact O-OG1 3.45Å; R460-T464 VanDerWaalsContact O-OG1 3.11Å; H461-T464 PolarHBondContact O-OG1 2.82Å
465	N	84.9	Confident	88.4	Confident	76 Å²	76	79.6 Å²	79.6	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-105.4	-32.6	-165.9	-54.4	-11.3	0	0	0	113.5	H461	H461-N465 PolarHBondContact CE1-ND2 2.96Å; H461-N465 VanDerWaalsContact CE1-ND2 3.3Å; H461-N465 PolarHBondContact ND1-ND2 3.45Å; H461-N465 WeakPolarHBondContact O-CB 3.07Å; H461-N465 PolarHBondContact O-N 3.15Å; H461-N465 PolarHBondContact O-ND2 3.32Å
466	H	92.1	Very high	88.2	Confident	13 Å²	13	85.3 Å²	85.3	6%	0.06	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-30.2	-161.5	-56.6	-42	0	0	0	115.3	C443 I445 C446 H461 Y462 R468 H469 Y470	C443-H466 PolarHBondContact SG-NE2 3.25Å; C443-H466 VanDerWaalsContact SG-NE2 3.42Å; I445-H466 HydrophobicContact CD1-CB 3.68Å; I445-H466 WeakPolarHBondContact CG2-ND1 3.45Å; C446-H466 VanDerWaalsContact SG-CE1 3.56Å; C446-H466 PolarHBondContact SG-NE2 2.92Å; C446-H466 VanDerWaalsContact SG-NE2 3.4Å; H461-H466 AromaticContact CD2-CD2 3.71Å; H461-H466 AromaticContact CD2-NE2 3.54Å; H461-H466 AromaticContact NE2-CD2 3.65Å; H461-H466 AromaticContact NE2-NE2 2.98Å; H461-H466 PolarHBondContact NE2-NE2 2.92Å; Y462-H466 HydrophobicContact CD2-CB 3.78Å; Y462-H466 HydrophobicContact CE2-CB 3.99Å; Y462-H466 CarbonylContact O-C 3.48Å; Y462-H466 WeakPolarHBondContact O-CA 3.41Å; Y462-H466 PolarHBondContact O-N 2.92Å; H466-R468 VanDerWaalsContact C-N 3.32Å; H466-R468 PolarHBondContact O-N 2.98Å; H466-R468 VanDerWaalsContact O-N 3.14Å; H466-H469 PolarHBondContact O-N 3.17Å; H466-Y470 HydrophobicContact CB-CD2 4.07Å; H466-Y470 WeakPolarHBondContact O-CD2 3.32Å; H466-Y470 PolarHBondContact O-N 3.32Å
467	S	87.7	Confident	88.2	Confident	28 Å²	28	80.9 Å²	80.9	20%	0.196	41%	0.405	C	S	.	.	H	α-helix	trans	-35.7	-57.5	-178.7	52.3	0	0	0	0	113.8	Y462 Q463 H469 Y470 D471	Y462-S467 PolarHBondContact O-N 2.89Å; Q463-S467 PolarHBondContact O-OG 3.36Å; S467-H469 PolarHBondContact O-N 2.96Å; S467-Y470 PolarHBondContact O-N 3.39Å; S467-D471 WeakPolarHBondContact CA-OD2 3.42Å; S467-D471 VanDerWaalsContact CB-OD2 3.27Å; S467-D471 WeakPolarHBondContact CB-OD2 3.29Å; S467-D471 WeakPolarHBondContact O-CB 3.35Å; S467-D471 VanDerWaalsContact O-CG 3.31Å; S467-D471 PolarHBondContact O-N 3.21Å
468	R	86.1	Confident	88.4	Confident	223 Å²	223	80.3 Å²	80.3	84%	0.842	40%	0.399	S	S	*	.	H	α-helix	trans	-50.6	-28.9	-178.8	-171.1	178.7	-176.3	-174	0.6	115	H466	H466-R468 VanDerWaalsContact C-N 3.32Å; H466-R468 PolarHBondContact O-N 2.98Å; H466-R468 VanDerWaalsContact O-N 3.14Å
469	H	84.5	Confident	88.3	Confident	117 Å²	117	83.2 Å²	83.2	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-109.3	-16.9	-178.8	-63.7	-80	0	0	0	113.6	H466 S467 Q472	H466-H469 PolarHBondContact O-N 3.17Å; S467-H469 PolarHBondContact O-N 2.96Å; H469-Q472 PolarHBondContact O-NE2 2.94Å; H469-Q472 VanDerWaalsContact O-NE2 3.14Å
470	Y	90	Very high	88.1	Confident	39 Å²	39	83.9 Å²	83.9	15%	0.153	42%	0.42	C	S	.	.	H	α-helix	trans	-118	-13.6	-170.4	-75.5	-89.6	0	0	0	115	F433 I445 Y462 H466 S467 Q472 Y473 R478 K481 L485	F433-Y470 HydrophobicContact CD2-CD1 4.2Å; F433-Y470 AromaticContact CE2-CD1 3.83Å; F433-Y470 HydrophobicContact CE2-CD1 3.83Å; F433-Y470 HydrophobicContact CE2-CG 4.32Å; F433-Y470 HydrophobicContact CZ-CD1 4.17Å; I445-Y470 HydrophobicContact CD1-CD1 3.83Å; I445-Y470 HydrophobicContact CD1-CD2 3.66Å; I445-Y470 HydrophobicContact CD1-CE1 3.97Å; I445-Y470 HydrophobicContact CD1-CE2 3.81Å; I445-Y470 HydrophobicContact CD1-CG 3.68Å; I445-Y470 HydrophobicContact CG1-CD1 4.38Å; I445-Y470 HydrophobicContact CG1-CD2 4.49Å; I445-Y470 HydrophobicContact CG1-CE1 4.04Å; I445-Y470 HydrophobicContact CG1-CE2 4.15Å; I445-Y470 HydrophobicContact CG2-CD2 4.46Å; I445-Y470 HydrophobicContact CG2-CE2 3.65Å; Y462-Y470 VanDerWaalsContact OH-C 3.22Å; Y462-Y470 WeakPolarHBondContact OH-CB 3.38Å; Y462-Y470 PolarHBondContact OH-O 2.84Å; H466-Y470 HydrophobicContact CB-CD2 4.07Å; H466-Y470 WeakPolarHBondContact O-CD2 3.32Å; H466-Y470 PolarHBondContact O-N 3.32Å; S467-Y470 PolarHBondContact O-N 3.39Å; Y470-Q472 PolarHBondContact O-N 3.32Å; Y470-Y473 AromaticContact CD1-CD2 3.92Å; Y470-Y473 HydrophobicContact CD1-CD2 3.92Å; Y470-Y473 AromaticContact CD1-CE2 3.85Å; Y470-Y473 HydrophobicContact CD1-CE2 3.85Å; Y470-Y473 HydrophobicContact CE1-CE2 4.17Å; Y470-Y473 HydrophobicContact CG-CE2 4.49Å; Y470-Y473 PolarHBondContact O-N 3.43Å; Y470-R478 PolarHBondContact O-NH1 2.82Å; Y470-K481 HydrophobicContact CD1-CG 4.45Å; Y470-K481 HydrophobicContact CE1-CG 4.09Å; Y470-L485 HydrophobicContact CE1-CD1 4.06Å
471	D	87.5	Confident	88.2	Confident	100 Å²	100	78.7 Å²	78.7	54%	0.535	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.4	174.4	-70.9	-20.1	0	0	0	112.8	Y462 S467 Y473	Y462-D471 WeakPolarHBondContact CE1-OD1 3.39Å; Y462-D471 VanDerWaalsContact CZ-OD1 3.24Å; Y462-D471 PolarHBondContact OH-N 2.85Å; Y462-D471 PolarHBondContact OH-OD1 3.27Å; S467-D471 WeakPolarHBondContact CA-OD2 3.42Å; S467-D471 VanDerWaalsContact CB-OD2 3.27Å; S467-D471 WeakPolarHBondContact CB-OD2 3.29Å; S467-D471 WeakPolarHBondContact O-CB 3.35Å; S467-D471 VanDerWaalsContact O-CG 3.31Å; S467-D471 PolarHBondContact O-N 3.21Å; D471-Y473 PolarHBondContact O-N 3.09Å
472	Q	88.6	Confident	88.3	Confident	141 Å²	141	78.1 Å²	78.1	66%	0.659	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.9	172.7	66.3	-179.8	2.8	0	0	114.1	H469 Y470 S474	H469-Q472 PolarHBondContact O-NE2 2.94Å; H469-Q472 VanDerWaalsContact O-NE2 3.14Å; Y470-Q472 PolarHBondContact O-N 3.32Å; Q472-S474 PolarHBondContact O-N 3.42Å
473	Y	88.2	Confident	88.2	Confident	61 Å²	61	84.3 Å²	84.3	24%	0.239	42%	0.422	C	S	.	.			trans	-86.2	113.5	-179.6	-62.5	-74.5	0	0	0	110.9	Y470 D471 A477 R478 K481	Y470-Y473 AromaticContact CD1-CD2 3.92Å; Y470-Y473 HydrophobicContact CD1-CD2 3.92Å; Y470-Y473 AromaticContact CD1-CE2 3.85Å; Y470-Y473 HydrophobicContact CD1-CE2 3.85Å; Y470-Y473 HydrophobicContact CE1-CE2 4.17Å; Y470-Y473 HydrophobicContact CG-CE2 4.49Å; Y470-Y473 PolarHBondContact O-N 3.43Å; D471-Y473 PolarHBondContact O-N 3.09Å; Y473-A477 HydrophobicContact CD1-CB 4.36Å; Y473-R478 VanDerWaalsContact O-CD 3.22Å; Y473-R478 WeakPolarHBondContact O-CD 3.33Å; Y473-R478 WeakPolarHBondContact O-CG 3.28Å; Y473-R478 PolarHBondContact O-NH1 3.44Å; Y473-K481 HydrophobicContact CD1-CB 4.25Å; Y473-K481 HydrophobicContact CD1-CG 4.49Å; Y473-K481 HydrophobicContact CD2-CG 4.2Å; Y473-K481 HydrophobicContact CE1-CB 4.4Å; Y473-K481 HydrophobicContact CE1-CG 4.3Å; Y473-K481 HydrophobicContact CE2-CG 3.99Å; Y473-K481 HydrophobicContact CG-CB 4.35Å; Y473-K481 HydrophobicContact CG-CG 4.45Å
474	S	83.9	Confident	88.2	Confident	89 Å²	89	82.3 Å²	82.3	62%	0.622	41%	0.413	S	S	*	.			trans	-125	163.8	174.3	66.2	0	0	0	0	111.6	Q472 Q476 A477 R478	Q472-S474 PolarHBondContact O-N 3.42Å; S474-Q476 PolarHBondContact O-N 3.02Å; S474-A477 PolarHBondContact O-N 3.11Å; S474-R478 PolarHBondContact O-N 2.89Å
475	G	86.9	Confident	88.3	Confident	58 Å²	58	78.4 Å²	78.4	60%	0.598	39%	0.388	S	S	*	.	H	α-helix	trans	51.2	-135.5	177.8	0	0	0	0	0	114	A477 R478 E479	G475-A477 VanDerWaalsContact C-N 3.26Å; G475-A477 PolarHBondContact O-N 2.86Å; G475-R478 WeakPolarHBondContact O-CB 3.44Å; G475-R478 PolarHBondContact O-N 3.41Å; G475-R478 VanDerWaalsContact O-N 3.08Å; G475-E479 PolarHBondContact O-N 3.31Å
476	Q	84.4	Confident	88.6	Confident	174 Å²	174	77.4 Å²	77.4	81%	0.813	38%	0.38	S	S	*	.	H	α-helix	trans	-58.6	-32.9	-179.5	-70	-177.7	-15.4	0	0	113.6	S474 R478 E479 E480	S474-Q476 PolarHBondContact O-N 3.02Å; Q476-R478 VanDerWaalsContact C-N 3.28Å; Q476-R478 PolarHBondContact O-N 2.95Å; Q476-E479 PolarHBondContact O-N 2.91Å; Q476-E480 PolarHBondContact O-N 3.26Å
477	A	86.5	Confident	88.3	Confident	50 Å²	50	84 Å²	84	41%	0.413	41%	0.405	S	S	.	.	H	α-helix	trans	-66.3	-31.2	178.3	0	0	0	0	0	112	Y473 S474 G475 K481	Y473-A477 HydrophobicContact CD1-CB 4.36Å; S474-A477 PolarHBondContact O-N 3.11Å; G475-A477 VanDerWaalsContact C-N 3.26Å; G475-A477 PolarHBondContact O-N 2.86Å; A477-K481 WeakPolarHBondContact O-CB 3.3Å; A477-K481 PolarHBondContact O-N 3.05Å
478	R	92.2	Very high	87.9	Confident	38 Å²	38	84.3 Å²	84.3	14%	0.143	41%	0.412	C	S	.	.	H	α-helix	trans	-70.8	-41.7	173.5	-152.1	177.6	-174.1	79.3	0.4	111.6	R430 A431 F433 Y462 Y470 Y473 S474 G475 Q476 E480 K481 L482	R430-R478 WeakPolarHBondContact O-CD 3.44Å; R430-R478 PolarHBondContact O-NE 3.22Å; A431-R478 PolarHBondContact O-NH2 3.26Å; F433-R478 HydrophobicContact CE1-CG 4.36Å; F433-R478 HydrophobicContact CE2-CG 4.36Å; F433-R478 HydrophobicContact CZ-CG 3.68Å; Y462-R478 PolarHBondContact OH-NH2 3.02Å; Y470-R478 PolarHBondContact O-NH1 2.82Å; Y473-R478 VanDerWaalsContact O-CD 3.22Å; Y473-R478 WeakPolarHBondContact O-CD 3.33Å; Y473-R478 WeakPolarHBondContact O-CG 3.28Å; Y473-R478 PolarHBondContact O-NH1 3.44Å; S474-R478 PolarHBondContact O-N 2.89Å; G475-R478 WeakPolarHBondContact O-CB 3.44Å; G475-R478 PolarHBondContact O-N 3.41Å; G475-R478 VanDerWaalsContact O-N 3.08Å; Q476-R478 VanDerWaalsContact C-N 3.28Å; Q476-R478 PolarHBondContact O-N 2.95Å; R478-E480 VanDerWaalsContact C-N 3.32Å; R478-E480 PolarHBondContact O-N 2.88Å; R478-K481 PolarHBondContact O-N 3.33Å; R478-L482 VanDerWaalsContact O-CB 3.26Å; R478-L482 WeakPolarHBondContact O-CB 3.29Å; R478-L482 PolarHBondContact O-N 2.73Å
479	E	88.4	Confident	87.6	Confident	60 Å²	60	74 Å²	74	28%	0.28	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-34.1	174.1	-63.7	-64.2	119.3	0	0	112.6	R430 G475 Q476 R483	R430-E479 WeakPolarHBondContact CD-OE1 3.21Å; R430-E479 WeakPolarHBondContact CG-OE1 3.31Å; R430-E479 IonicContact CZ-OE1 3.73Å; R430-E479 IonicContact CZ-OE2 3.53Å; R430-E479 IonicContact NE-OE1 2.67Å; R430-E479 PolarHBondContact NE-OE1 3.42Å; R430-E479 IonicContact NE-OE2 2.67Å; R430-E479 PolarHBondContact NE-OE2 3.02Å; R430-E479 IonicContact NH2-OE1 3.98Å; R430-E479 IonicContact NH2-OE2 2.66Å; R430-E479 PolarHBondContact NH2-OE2 3.22Å; G475-E479 PolarHBondContact O-N 3.31Å; Q476-E479 PolarHBondContact O-N 2.91Å; E479-R483 WeakPolarHBondContact O-CG 3.48Å; E479-R483 PolarHBondContact O-N 3.04Å; E479-R483 PolarHBondContact O-NE 2.9Å; E479-R483 VanDerWaalsContact O-NE 3.11Å
480	E	88	Confident	87.2	Confident	114 Å²	114	75.2 Å²	75.2	53%	0.533	37%	0.374	S	S	.	.	H	α-helix	trans	-69.5	-48.3	174.4	-173	138.2	-104.4	0	0	112.2	Q476 R478 L482 R483 E484	Q476-E480 PolarHBondContact O-N 3.26Å; R478-E480 VanDerWaalsContact C-N 3.32Å; R478-E480 PolarHBondContact O-N 2.88Å; E480-L482 PolarHBondContact O-N 2.77Å; E480-R483 PolarHBondContact O-N 3.41Å; E480-R483 VanDerWaalsContact O-N 3.16Å; E480-R483 IonicContact OE1-CZ 3.28Å; E480-R483 IonicContact OE1-NH1 3.13Å; E480-R483 PolarHBondContact OE1-NH1 2.88Å; E480-R483 IonicContact OE1-NH2 3.87Å; E480-E484 WeakPolarHBondContact O-CB 3.13Å; E480-E484 PolarHBondContact O-N 2.89Å
481	K	91.2	Very high	86.5	Confident	34 Å²	34	80.2 Å²	80.2	15%	0.148	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-34.8	175.6	-162.7	51.9	158.6	176.5	0	111.6	F433 Y470 Y473 A477 R478 E484 L485	F433-K481 HydrophobicContact CE1-CB 4.28Å; F433-K481 HydrophobicContact CE1-CG 4.41Å; F433-K481 HydrophobicContact CZ-CB 4.46Å; Y470-K481 HydrophobicContact CD1-CG 4.45Å; Y470-K481 HydrophobicContact CE1-CG 4.09Å; Y473-K481 HydrophobicContact CD1-CB 4.25Å; Y473-K481 HydrophobicContact CD1-CG 4.49Å; Y473-K481 HydrophobicContact CD2-CG 4.2Å; Y473-K481 HydrophobicContact CE1-CB 4.4Å; Y473-K481 HydrophobicContact CE1-CG 4.3Å; Y473-K481 HydrophobicContact CE2-CG 3.99Å; Y473-K481 HydrophobicContact CG-CB 4.35Å; Y473-K481 HydrophobicContact CG-CG 4.45Å; A477-K481 WeakPolarHBondContact O-CB 3.3Å; A477-K481 PolarHBondContact O-N 3.05Å; R478-K481 PolarHBondContact O-N 3.33Å; K481-E484 WeakPolarHBondContact CD-OE2 3.41Å; K481-E484 IonicContact NZ-OE1 3.73Å; K481-E484 PolarHBondContact NZ-OE1 3.18Å; K481-E484 IonicContact NZ-OE2 2.65Å; K481-E484 PolarHBondContact NZ-OE2 2.6Å; K481-E484 PolarHBondContact O-N 3.06Å; K481-L485 HydrophobicContact CG-CD1 4.26Å; K481-L485 WeakPolarHBondContact O-CB 3.49Å; K481-L485 VanDerWaalsContact O-CG 3.25Å; K481-L485 WeakPolarHBondContact O-CG 3.31Å; K481-L485 PolarHBondContact O-N 2.88Å
482	L	91.4	Very high	85.7	Confident	8 Å²	8	82.8 Å²	82.8	4%	0.042	40%	0.4	C	S	.	.	H	α-helix	trans	-63.6	-46.4	173.3	178.7	57.8	0	0	0	112	E429 R430 F433 L444 R478 E480 E484 L485 K486	E429-L482 HydrophobicContact CB-CD1 3.97Å; E429-L482 HydrophobicContact CB-CD2 4Å; R430-L482 HydrophobicContact CG-CD2 4.04Å; F433-L482 HydrophobicContact CD1-CB 4.38Å; F433-L482 HydrophobicContact CD1-CD1 4.14Å; F433-L482 HydrophobicContact CE1-CB 4.1Å; L444-L482 HydrophobicContact CD1-CD1 3.34Å; R478-L482 VanDerWaalsContact O-CB 3.26Å; R478-L482 WeakPolarHBondContact O-CB 3.29Å; R478-L482 PolarHBondContact O-N 2.73Å; E480-L482 PolarHBondContact O-N 2.77Å; L482-E484 PolarHBondContact O-N 2.94Å; L482-L485 PolarHBondContact O-N 3.24Å; L482-K486 HydrophobicContact CD1-CD 4.48Å; L482-K486 HydrophobicContact CD1-CG 4.34Å; L482-K486 WeakPolarHBondContact O-CB 3.34Å; L482-K486 WeakPolarHBondContact O-CG 3.2Å; L482-K486 PolarHBondContact O-N 3Å
483	R	90	Very high	85	Confident	136 Å²	136	80.6 Å²	80.6	51%	0.513	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-41.5	174.8	-78	176.1	-74.7	131	-4.3	112.3	E479 E480 R487	E479-R483 WeakPolarHBondContact O-CG 3.48Å; E479-R483 PolarHBondContact O-N 3.04Å; E479-R483 PolarHBondContact O-NE 2.9Å; E479-R483 VanDerWaalsContact O-NE 3.11Å; E480-R483 PolarHBondContact O-N 3.41Å; E480-R483 VanDerWaalsContact O-N 3.16Å; E480-R483 IonicContact OE1-CZ 3.28Å; E480-R483 IonicContact OE1-NH1 3.13Å; E480-R483 PolarHBondContact OE1-NH1 2.88Å; E480-R483 IonicContact OE1-NH2 3.87Å; R483-R487 WeakPolarHBondContact O-CB 3.42Å; R483-R487 PolarHBondContact O-N 3.46Å
484	E	91.5	Very high	83.6	Confident	73 Å²	73	83.6 Å²	83.6	34%	0.341	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-53.1	175.8	-171.8	-148.8	110.2	0	0	111.5	E480 K481 L482 K486 R487 G488	E480-E484 WeakPolarHBondContact O-CB 3.13Å; E480-E484 PolarHBondContact O-N 2.89Å; K481-E484 WeakPolarHBondContact CD-OE2 3.41Å; K481-E484 IonicContact NZ-OE1 3.73Å; K481-E484 PolarHBondContact NZ-OE1 3.18Å; K481-E484 IonicContact NZ-OE2 2.65Å; K481-E484 PolarHBondContact NZ-OE2 2.6Å; K481-E484 PolarHBondContact O-N 3.06Å; L482-E484 PolarHBondContact O-N 2.94Å; E484-K486 PolarHBondContact O-N 2.93Å; E484-R487 WeakPolarHBondContact O-CB 3.48Å; E484-R487 PolarHBondContact O-N 3.43Å; E484-G488 PolarHBondContact O-N 2.9Å
485	L	91	Very high	81.5	Confident	15 Å²	15	80.8 Å²	80.8	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-67.4	-37	-178.6	-64.7	168.9	0	0	0	112.4	F433 L444 I445 Y470 K481 L482 R487 G488 L489	F433-L485 HydrophobicContact CB-CD1 4.45Å; F433-L485 HydrophobicContact CD1-CD1 3.68Å; F433-L485 HydrophobicContact CE1-CD1 4.12Å; F433-L485 HydrophobicContact CG-CD1 4.2Å; L444-L485 HydrophobicContact CB-CB 3.94Å; L444-L485 HydrophobicContact CB-CD1 4.39Å; L444-L485 HydrophobicContact CD1-CB 4.42Å; I445-L485 HydrophobicContact CG1-CD1 3.89Å; Y470-L485 HydrophobicContact CE1-CD1 4.06Å; K481-L485 HydrophobicContact CG-CD1 4.26Å; K481-L485 WeakPolarHBondContact O-CB 3.49Å; K481-L485 VanDerWaalsContact O-CG 3.25Å; K481-L485 WeakPolarHBondContact O-CG 3.31Å; K481-L485 PolarHBondContact O-N 2.88Å; L482-L485 PolarHBondContact O-N 3.24Å; L485-R487 VanDerWaalsContact C-N 3.35Å; L485-R487 PolarHBondContact O-N 3.45Å; L485-G488 PolarHBondContact O-N 3.11Å; L485-L489 PolarHBondContact O-N 2.97Å
486	K	90.3	Very high	79.1	Confident	54 Å²	54	81.2 Å²	81.2	24%	0.235	39%	0.394	C	S	.	.	H	α-helix	trans	-59.4	-42.5	171.5	-84.1	-173.4	166	-172.3	0	111.9	E429 V435 L444 L482 E484 L489 R490	E429-K486 WeakPolarHBondContact OE1-CE 3.43Å; E429-K486 IonicContact OE1-NZ 2.63Å; E429-K486 PolarHBondContact OE1-NZ 2.94Å; E429-K486 WeakPolarHBondContact OE2-CE 3.35Å; E429-K486 IonicContact OE2-NZ 2.69Å; E429-K486 PolarHBondContact OE2-NZ 3.05Å; V435-K486 HydrophobicContact CG1-CD 4.47Å; V435-K486 VanDerWaalsContact CG1-CE 3.49Å; V435-K486 HydrophobicContact CG1-CG 4.2Å; L444-K486 HydrophobicContact CD1-CG 3.91Å; L444-K486 HydrophobicContact CD2-CG 4.07Å; L482-K486 HydrophobicContact CD1-CD 4.48Å; L482-K486 HydrophobicContact CD1-CG 4.34Å; L482-K486 WeakPolarHBondContact O-CB 3.34Å; L482-K486 WeakPolarHBondContact O-CG 3.2Å; L482-K486 PolarHBondContact O-N 3Å; E484-K486 PolarHBondContact O-N 2.93Å; K486-L489 PolarHBondContact O-N 3.31Å; K486-R490 PolarHBondContact O-N 2.94Å
487	R	85.4	Confident	76.8	Confident	152 Å²	152	76.5 Å²	76.5	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-64	-42	174.5	-178.6	179.1	64	-120.6	-2	111.2	R483 E484 L485 R490 K491	R483-R487 WeakPolarHBondContact O-CB 3.42Å; R483-R487 PolarHBondContact O-N 3.46Å; E484-R487 WeakPolarHBondContact O-CB 3.48Å; E484-R487 PolarHBondContact O-N 3.43Å; L485-R487 VanDerWaalsContact C-N 3.35Å; L485-R487 PolarHBondContact O-N 3.45Å; R487-R490 PolarHBondContact O-N 3.47Å; R487-K491 PolarHBondContact O-N 3.4Å
488	G	79.7	Confident	74.3	Confident	34 Å²	34	83.2 Å²	83.2	35%	0.351	40%	0.404	S	S	.	.	H	α-helix	trans	-60.2	-43.9	174.2	0	0	0	0	0	113.3	E484 L485 K491 Y492	E484-G488 PolarHBondContact O-N 2.9Å; L485-G488 PolarHBondContact O-N 3.11Å; G488-K491 PolarHBondContact O-N 3.31Å; G488-Y492 PolarHBondContact O-N 3.3Å; G488-Y492 VanDerWaalsContact O-N 3.08Å
489	L	80.3	Confident	71.5	Confident	8 Å²	8	88 Å²	88	4%	0.042	43%	0.431	C	S	.	.	H	α-helix	trans	-65.2	-39.5	175.3	-178	68.8	0	0	0	112.3	V435 V437 T442 L444 K447 L485 K486 K491 Y492 L493	V435-L489 HydrophobicContact CG2-CD2 3.35Å; V437-L489 HydrophobicContact CG2-CD2 3.87Å; T442-L489 HydrophobicContact CG2-CD1 4.37Å; L444-L489 HydrophobicContact CD2-CB 3.94Å; L444-L489 HydrophobicContact CD2-CD2 3.79Å; K447-L489 HydrophobicContact CD-CD1 4.03Å; L485-L489 PolarHBondContact O-N 2.97Å; K486-L489 PolarHBondContact O-N 3.31Å; L489-K491 PolarHBondContact O-N 3.4Å; L489-Y492 HydrophobicContact CD1-CD1 4.18Å; L489-Y492 WeakPolarHBondContact O-CB 3.35Å; L489-Y492 PolarHBondContact O-N 3.4Å; L489-Y492 VanDerWaalsContact O-N 3.17Å; L489-L493 HydrophobicContact CD1-CD1 4.07Å; L489-L493 HydrophobicContact CD1-CG 4.02Å; L489-L493 HydrophobicContact CD2-CD1 4.18Å; L489-L493 HydrophobicContact CG-CD1 3.79Å; L489-L493 HydrophobicContact CG-CG 4.14Å; L489-L493 WeakPolarHBondContact O-CG 3.26Å; L489-L493 PolarHBondContact O-N 2.92Å
490	R	76.3	Confident	68.7	Low	141 Å²	141	91.5 Å²	91.5	53%	0.532	46%	0.456	S	S	.	.	H	α-helix	trans	-61.5	-43.5	174.6	-75.3	-169.3	-68.5	-96.4	5.6	112.3	K486 R487 Y492 L493 L494	K486-R490 PolarHBondContact O-N 2.94Å; R487-R490 PolarHBondContact O-N 3.47Å; R490-Y492 PolarHBondContact O-N 3.34Å; R490-L493 PolarHBondContact O-N 3.39Å; R490-L494 HydrophobicContact CB-CD1 4.2Å; R490-L494 WeakPolarHBondContact O-CB 3.29Å; R490-L494 PolarHBondContact O-N 3.08Å
491	K	74.5	Confident	65.8	Low	144 Å²	144	91.3 Å²	91.3	63%	0.626	47%	0.465	S	S	*	.	H	α-helix	trans	-62.8	-28.6	175.2	-170.2	174.7	179.9	179.6	0	112.8	R487 G488 L489 G495	R487-K491 PolarHBondContact O-N 3.4Å; G488-K491 PolarHBondContact O-N 3.31Å; L489-K491 PolarHBondContact O-N 3.4Å; K491-G495 CarbonylContact O-C 3.57Å
492	Y	71.5	Confident	62.9	Low	155 Å²	155	95.2 Å²	95.2	61%	0.608	50%	0.495	S	S	*	.	H	α-helix	trans	-75.3	-45.9	173.7	177.8	-94.5	0	0	0	112.4	G488 L489 R490	G488-Y492 PolarHBondContact O-N 3.3Å; G488-Y492 VanDerWaalsContact O-N 3.08Å; L489-Y492 HydrophobicContact CD1-CD1 4.18Å; L489-Y492 WeakPolarHBondContact O-CB 3.35Å; L489-Y492 PolarHBondContact O-N 3.4Å; L489-Y492 VanDerWaalsContact O-N 3.17Å; R490-Y492 PolarHBondContact O-N 3.34Å
493	L	73.3	Confident	59.9	Low	94 Å²	94	103.9 Å²	103.9	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-77.1	-34.4	-175.2	-68.1	174.8	0	0	0	114.6	V437 L489 R490	V437-L493 HydrophobicContact CG1-CD1 3.79Å; V437-L493 HydrophobicContact CG1-CD2 4.29Å; V437-L493 HydrophobicContact CG2-CD1 4.01Å; L489-L493 HydrophobicContact CD1-CD1 4.07Å; L489-L493 HydrophobicContact CD1-CG 4.02Å; L489-L493 HydrophobicContact CD2-CD1 4.18Å; L489-L493 HydrophobicContact CG-CD1 3.79Å; L489-L493 HydrophobicContact CG-CG 4.14Å; L489-L493 WeakPolarHBondContact O-CG 3.26Å; L489-L493 PolarHBondContact O-N 2.92Å; R490-L493 PolarHBondContact O-N 3.39Å
494	L	60	Low	57	Low	124 Å²	124	106.5 Å²	106.5	65%	0.649	55%	0.553	S	S	*	*	S	Bend	trans	-94.4	-4.5	-178.7	-74.4	132.2	0	0	0	113.3	R490	R490-L494 HydrophobicContact CB-CD1 4.2Å; R490-L494 WeakPolarHBondContact O-CB 3.29Å; R490-L494 PolarHBondContact O-N 3.08Å
495	G	38.1	Very low	54.1	Low	31 Å²	31	107.9 Å²	107.9	32%	0.32	57%	0.568	S	S	.	*			trans	59.7	-165.7	-161.5	0	0	0	0	0	112.4	K491 S497	K491-G495 CarbonylContact O-C 3.57Å; G495-S497 PolarHBondContact O-N 3.17Å; G495-S497 VanDerWaalsContact O-N 3.14Å
496	A	36.5	Very low	51.2	Low	66 Å²	66	116.6 Å²	116.6	55%	0.545	61%	0.606	S	S	.	*	S	Bend	trans	-76.6	99.4	174.2	0	0	0	0	0	110.5	K530	A496-K530 VanDerWaalsContact O-CD 3.3Å; A496-K530 WeakPolarHBondContact O-CD 3.34Å; A496-K530 WeakPolarHBondContact O-CE 3.47Å; A496-K530 PolarHBondContact O-NZ 3.32Å
497	S	37.8	Very low	48.5	Very low	76 Å²	76	118.9 Å²	118.9	53%	0.531	63%	0.626	S	S	.	*			trans	-140.3	122.6	163	-131	0	0	0	0	109.1	G495 K530	G495-S497 PolarHBondContact O-N 3.17Å; G495-S497 VanDerWaalsContact O-N 3.14Å; S497-K530 PolarHBondContact OG-NZ 3Å
498	E	32.8	Very low	45.8	Very low	191 Å²	191	119.4 Å²	119.4	89%	0.893	64%	0.64	S	S	*	*			trans	-76.6	131.4	176.8	-60.8	-176.3	142	0	0	109.5
499	I	33.6	Very low	43.5	Very low	139 Å²	139	122.7 Å²	122.7	71%	0.713	66%	0.664	S	S	*	*			trans	-130.8	107.6	164	-62.1	-179.9	0	0	0	106.7
500	V	30.6	Very low	41.3	Very low	133 Å²	133	128.1 Å²	128.1	81%	0.806	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-76.6	122.1	164	174.9	0	0	0	0	107.2	P502	V500-P502 WeakPolarHBondContact O-CD 3.48Å
501	C	25.6	Very low	39.2	Very low	109 Å²	109	127 Å²	127	74%	0.736	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-101.3	118.2	172.5	-61.7	0	0	0	0	110.2
502	P	31.4	Very low	37.2	Very low	117 Å²	117	126.1 Å²	126.1	76%	0.76	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-96.8	135	154.9	32.4	-24.5	0	0	0	110.3	V500	V500-P502 WeakPolarHBondContact O-CD 3.48Å
503	E	27.5	Very low	35.4	Very low	189 Å²	189	124.9 Å²	124.9	88%	0.883	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-80.6	125	170.2	-60.3	177.5	134.9	0	0	110.2
504	Q	28.7	Very low	33.3	Very low	192 Å²	192	127.7 Å²	127.7	90%	0.897	75%	0.747	S	S	*	*			trans	-174.7	142.5	138.9	-104.6	164.9	26.3	0	0	111.6
505	P	32.6	Very low	32	Very low	101 Å²	101	127.4 Å²	127.4	66%	0.656	76%	0.755	S	S	*	*			trans	-92.2	157.5	176.2	37	-34.5	0	0	0	112.3
506	F	28.7	Very low	31.9	Very low	199 Å²	199	130.6 Å²	130.6	87%	0.873	78%	0.779	S	S	*	*			trans	176.6	164.4	135.5	-89.6	-47.8	0	0	0	110.5
507	P	33.1	Very low	31.8	Very low	102 Å²	102	134.5 Å²	134.5	66%	0.662	80%	0.796	S	S	*	*				-122.5	170.4	-127.3	43.6	-34.3	0	0	0	117.9
508	N	29.1	Very low	31.6	Very low	162 Å²	162	137.1 Å²	137.1	87%	0.866	80%	0.8	S	S	*	*			trans	56.7	94.2	151.5	-66.1	-0.5	0	0	0	119.7
509	A	32.6	Very low	31.7	Very low	104 Å²	104	131.8 Å²	131.8	86%	0.86	78%	0.782	S	S	*	*			trans	-142.4	139	143.6	0	0	0	0	0	109.7
510	S	32.7	Very low	31.8	Very low	122 Å²	122	129 Å²	129	85%	0.853	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-82.8	147.1	-175.4	-56.2	0	0	0	0	112.6
511	P	33.1	Very low	32.1	Very low	118 Å²	118	130.6 Å²	130.6	77%	0.766	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-89	153.7	-172.8	35.2	-36.3	0	0	0	114.1
512	P	32.9	Very low	32.5	Very low	125 Å²	125	130.7 Å²	130.7	81%	0.812	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-83.8	139.4	160.7	33.9	-31.4	0	0	0	111.4
513	T	32.7	Very low	33	Very low	129 Å²	129	129 Å²	129	79%	0.791	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-75.4	129.7	177.2	-38.2	0	0	0	0	111.5
514	N	29.4	Very low	33.9	Very low	152 Å²	152	121.8 Å²	121.8	81%	0.813	73%	0.728	S	S	*	*			trans	161.9	111.9	142.1	-84	-18.5	0	0	0	113.8
515	S	33.4	Very low	35.2	Very low	118 Å²	118	114.2 Å²	114.2	83%	0.825	70%	0.701	S	S	*	*			trans	-179.8	113.4	151.8	28.6	0	0	0	0	107.2
516	A	36.1	Very low	37	Very low	99 Å²	99	112.1 Å²	112.1	82%	0.818	69%	0.688	S	S	*	*				74.6	116.6	73.1	0	0	0	0	0	112.3
517	V	33.4	Very low	39	Very low	147 Å²	147	107.1 Å²	107.1	89%	0.891	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-85	123.7	-177.3	177.7	0	0	0	0	109.5
518	Q	33.5	Very low	41.2	Very low	132 Å²	132	106.8 Å²	106.8	62%	0.617	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-74.7	138.6	172.1	-74.9	-172.1	-77	0	0	111.4	E522	Q518-E522 PolarHBondContact NE2-OE2 3.02Å
519	P	34.5	Very low	43.7	Very low	79 Å²	79	103 Å²	103	51%	0.513	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-63.8	149.1	172	-20.9	33.4	0	0	0	112.6	E521 E522	P519-E521 PolarHBondContact O-N 3.14Å; P519-E522 PolarHBondContact O-N 2.97Å
520	A	37	Very low	46.2	Very low	80 Å²	80	101.3 Å²	101.3	66%	0.661	61%	0.606	S	S	*	*	H	α-helix	trans	-60.9	-18.7	178.9	0	0	0	0	0	114	V523 A524	A520-V523 PolarHBondContact O-N 3.33Å; A520-A524 WeakPolarHBondContact O-CB 3.46Å; A520-A524 PolarHBondContact O-N 3.11Å
521	E	36.3	Very low	48.8	Very low	167 Å²	167	96.3 Å²	96.3	78%	0.78	57%	0.57	S	S	*	*	H	α-helix	trans	-69	-35.1	-179.4	-60.1	-171.2	128.8	0	0	113.2	P519 A524 G525	P519-E521 PolarHBondContact O-N 3.14Å; E521-A524 PolarHBondContact O-N 2.79Å; E521-G525 PolarHBondContact O-N 3.19Å
522	E	33.5	Very low	51.4	Low	110 Å²	110	93.3 Å²	93.3	51%	0.514	54%	0.544	S	S	.	.	H	α-helix	trans	-65.9	-41.8	174	-72.3	-168.8	99.6	0	0	111.1	Q518 P519 G525 S526	Q518-E522 PolarHBondContact NE2-OE2 3.02Å; P519-E522 PolarHBondContact O-N 2.97Å; E522-G525 PolarHBondContact O-N 3.43Å; E522-S526 PolarHBondContact O-N 2.94Å
523	V	41.7	Very low	54.1	Low	81 Å²	81	93 Å²	93	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-47.2	177.5	-175.2	0	0	0	0	110.2	A520 G525 S526 L527	A520-V523 PolarHBondContact O-N 3.33Å; V523-G525 VanDerWaalsContact C-N 3.35Å; V523-G525 PolarHBondContact O-N 2.98Å; V523-S526 PolarHBondContact O-N 3.34Å; V523-S526 PolarHBondContact O-OG 3.43Å; V523-L527 HydrophobicContact CG1-CD1 4.48Å; V523-L527 WeakPolarHBondContact O-CG 3.34Å; V523-L527 PolarHBondContact O-N 3.25Å; V523-L527 VanDerWaalsContact O-N 3.15Å
524	A	46.4	Very low	56.8	Low	39 Å²	39	89.7 Å²	89.7	32%	0.322	51%	0.506	S	S	.	.	H	α-helix	trans	-60.2	-43	174.9	0	0	0	0	0	112	A520 E521 S526 L527 W528	A520-A524 WeakPolarHBondContact O-CB 3.46Å; A520-A524 PolarHBondContact O-N 3.11Å; E521-A524 PolarHBondContact O-N 2.79Å; A524-S526 VanDerWaalsContact C-N 3.34Å; A524-S526 PolarHBondContact O-N 3.5Å; A524-L527 PolarHBondContact O-N 2.88Å; A524-W528 PolarHBondContact O-N 3.35Å
525	G	57.3	Low	59.8	Low	32 Å²	32	82.9 Å²	82.9	33%	0.33	47%	0.469	S	S	.	.	H	α-helix	trans	-53.8	-49	173.7	0	0	0	0	0	112.2	E521 E522 V523 L527 W528 E529	E521-G525 PolarHBondContact O-N 3.19Å; E522-G525 PolarHBondContact O-N 3.43Å; V523-G525 VanDerWaalsContact C-N 3.35Å; V523-G525 PolarHBondContact O-N 2.98Å; G525-L527 VanDerWaalsContact C-N 3.33Å; G525-L527 PolarHBondContact O-N 3.42Å; G525-W528 PolarHBondContact O-N 2.75Å; G525-E529 WeakPolarHBondContact O-CB 3.24Å; G525-E529 PolarHBondContact O-N 3.05Å
526	S	69.7	Low	62.6	Low	57 Å²	57	84 Å²	84	40%	0.399	46%	0.456	S	S	.	.	H	α-helix	trans	-62.4	-35.4	178.7	82	0	0	0	0	113.7	E522 V523 A524 E529 K530	E522-S526 PolarHBondContact O-N 2.94Å; V523-S526 PolarHBondContact O-N 3.34Å; V523-S526 PolarHBondContact O-OG 3.43Å; A524-S526 VanDerWaalsContact C-N 3.34Å; A524-S526 PolarHBondContact O-N 3.5Å; S526-E529 PolarHBondContact O-N 3.49Å; S526-K530 WeakPolarHBondContact O-CG 3.37Å; S526-K530 PolarHBondContact O-N 3.43Å; S526-K530 VanDerWaalsContact O-N 3.11Å
527	L	71.7	Confident	65.3	Low	95 Å²	95	82.5 Å²	82.5	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-70.9	-44.7	177.6	-71.1	169.1	0	0	0	111.4	V523 A524 G525 E529 K530 L531	V523-L527 HydrophobicContact CG1-CD1 4.48Å; V523-L527 WeakPolarHBondContact O-CG 3.34Å; V523-L527 PolarHBondContact O-N 3.25Å; V523-L527 VanDerWaalsContact O-N 3.15Å; A524-L527 PolarHBondContact O-N 2.88Å; G525-L527 VanDerWaalsContact C-N 3.33Å; G525-L527 PolarHBondContact O-N 3.42Å; L527-E529 VanDerWaalsContact C-N 3.28Å; L527-E529 PolarHBondContact O-N 2.78Å; L527-K530 PolarHBondContact O-N 2.82Å; L527-L531 PolarHBondContact O-N 2.94Å
528	W	78.1	Confident	68.3	Low	95 Å²	95	75.7 Å²	75.7	36%	0.36	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-32.2	174.3	-62	127.9	0	0	0	112.3	A524 G525 L531 R532 F600	A524-W528 PolarHBondContact O-N 3.35Å; G525-W528 PolarHBondContact O-N 2.75Å; W528-L531 HydrophobicContact CE3-CD2 3.93Å; W528-L531 HydrophobicContact CZ3-CD2 3.92Å; W528-L531 PolarHBondContact O-N 3.15Å; W528-R532 WeakPolarHBondContact O-CB 3.25Å; W528-R532 WeakPolarHBondContact O-CG 3.09Å; W528-R532 PolarHBondContact O-N 2.97Å; W528-F600 HydrophobicContact CD2-CE1 4.21Å; W528-F600 HydrophobicContact CD2-CZ 4.33Å; W528-F600 AromaticContact CE3-CE1 3.5Å; W528-F600 HydrophobicContact CE3-CE1 3.5Å; W528-F600 VanDerWaalsContact CE3-CE1 3.5Å; W528-F600 AromaticContact CE3-CZ 3.59Å; W528-F600 HydrophobicContact CE3-CZ 3.59Å; W528-F600 HydrophobicContact CH2-CZ 4.36Å; W528-F600 AromaticContact CZ3-CE1 3.97Å; W528-F600 HydrophobicContact CZ3-CE1 3.97Å; W528-F600 AromaticContact CZ3-CZ 3.6Å; W528-F600 HydrophobicContact CZ3-CZ 3.6Å
529	E	82.1	Confident	71.2	Confident	81 Å²	81	72.3 Å²	72.3	38%	0.379	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-48.1	173.3	-150.9	74	-86.5	0	0	111.8	G525 S526 L527 L531 R532 Q533	G525-E529 WeakPolarHBondContact O-CB 3.24Å; G525-E529 PolarHBondContact O-N 3.05Å; S526-E529 PolarHBondContact O-N 3.49Å; L527-E529 VanDerWaalsContact C-N 3.28Å; L527-E529 PolarHBondContact O-N 2.78Å; E529-L531 VanDerWaalsContact C-N 3.35Å; E529-L531 PolarHBondContact O-N 3.29Å; E529-R532 PolarHBondContact O-N 2.8Å; E529-R532 IonicContact OE1-CZ 3.31Å; E529-R532 VanDerWaalsContact OE1-CZ 3.23Å; E529-R532 IonicContact OE1-NE 3.73Å; E529-R532 PolarHBondContact OE1-NE 3.1Å; E529-R532 IonicContact OE1-NH2 3.6Å; E529-R532 PolarHBondContact OE1-NH2 2.61Å; E529-R532 IonicContact OE2-NH2 2.83Å; E529-R532 PolarHBondContact OE2-NH2 2.71Å; E529-Q533 WeakPolarHBondContact O-CG 3.26Å; E529-Q533 PolarHBondContact O-N 2.7Å
530	K	84.7	Confident	74.2	Confident	69 Å²	69	68.7 Å²	68.7	30%	0.3	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-41.1	176.2	-71.9	170.6	173.3	-162.9	0	111.8	A496 S497 S526 L527 Q533 K534	A496-K530 VanDerWaalsContact O-CD 3.3Å; A496-K530 WeakPolarHBondContact O-CD 3.34Å; A496-K530 WeakPolarHBondContact O-CE 3.47Å; A496-K530 PolarHBondContact O-NZ 3.32Å; S497-K530 PolarHBondContact OG-NZ 3Å; S526-K530 WeakPolarHBondContact O-CG 3.37Å; S526-K530 PolarHBondContact O-N 3.43Å; S526-K530 VanDerWaalsContact O-N 3.11Å; L527-K530 PolarHBondContact O-N 2.82Å; K530-Q533 PolarHBondContact O-N 3.32Å; K530-K534 WeakPolarHBondContact O-CB 3.17Å; K530-K534 PolarHBondContact O-N 3.29Å
531	L	86.5	Confident	77	Confident	18 Å²	18	65 Å²	65	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-43.2	174.5	-175.7	60.1	0	0	0	111.7	L527 W528 E529 Q533 K534 I535 E573 F600	L527-L531 PolarHBondContact O-N 2.94Å; W528-L531 HydrophobicContact CE3-CD2 3.93Å; W528-L531 HydrophobicContact CZ3-CD2 3.92Å; W528-L531 PolarHBondContact O-N 3.15Å; E529-L531 VanDerWaalsContact C-N 3.35Å; E529-L531 PolarHBondContact O-N 3.29Å; L531-Q533 PolarHBondContact O-N 2.92Å; L531-K534 PolarHBondContact O-N 3.21Å; L531-I535 HydrophobicContact CD1-CD1 3.99Å; L531-I535 HydrophobicContact CD1-CG1 4.19Å; L531-I535 HydrophobicContact CD2-CD1 4.46Å; L531-I535 HydrophobicContact CG-CD1 3.79Å; L531-I535 HydrophobicContact CG-CG1 4.41Å; L531-I535 WeakPolarHBondContact O-CB 3.1Å; L531-I535 VanDerWaalsContact O-CG1 3.28Å; L531-I535 WeakPolarHBondContact O-CG1 3.29Å; L531-I535 PolarHBondContact O-N 2.62Å; L531-E573 HydrophobicContact CD1-CB 3.86Å; L531-E573 HydrophobicContact CD1-CG 3.82Å; L531-F600 HydrophobicContact CD2-CD1 4.46Å; L531-F600 HydrophobicContact CD2-CE1 3.97Å; L531-F600 HydrophobicContact CD2-CZ 4.38Å
532	R	88.7	Confident	79.8	Confident	55 Å²	55	57 Å²	57	21%	0.208	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-43.4	173.7	-77.8	-173.2	-69	-103.4	6.6	112.2	W528 E529 I535 R536 F600	W528-R532 WeakPolarHBondContact O-CB 3.25Å; W528-R532 WeakPolarHBondContact O-CG 3.09Å; W528-R532 PolarHBondContact O-N 2.97Å; E529-R532 PolarHBondContact O-N 2.8Å; E529-R532 IonicContact OE1-CZ 3.31Å; E529-R532 VanDerWaalsContact OE1-CZ 3.23Å; E529-R532 IonicContact OE1-NE 3.73Å; E529-R532 PolarHBondContact OE1-NE 3.1Å; E529-R532 IonicContact OE1-NH2 3.6Å; E529-R532 PolarHBondContact OE1-NH2 2.61Å; E529-R532 IonicContact OE2-NH2 2.83Å; E529-R532 PolarHBondContact OE2-NH2 2.71Å; R532-I535 PolarHBondContact O-N 3.03Å; R532-R536 WeakPolarHBondContact O-CD 3.48Å; R532-R536 VanDerWaalsContact O-CG 3.23Å; R532-R536 WeakPolarHBondContact O-CG 3.25Å; R532-R536 PolarHBondContact O-N 2.79Å; R532-R536 VanDerWaalsContact O-N 3.11Å; R532-F600 HydrophobicContact CG-CD1 4.02Å
533	Q	88.7	Confident	82.7	Confident	118 Å²	118	51.8 Å²	51.8	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-61.2	-46.4	175.9	-71.7	171.2	2.5	0	0	111.5	E529 K530 L531 R536 S537	E529-Q533 WeakPolarHBondContact O-CG 3.26Å; E529-Q533 PolarHBondContact O-N 2.7Å; K530-Q533 PolarHBondContact O-N 3.32Å; L531-Q533 PolarHBondContact O-N 2.92Å; Q533-R536 PolarHBondContact O-N 3.25Å; Q533-S537 PolarHBondContact O-N 2.77Å
534	K	90.2	Very high	85.1	Confident	59 Å²	59	48 Å²	48	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-39.8	178.4	-166.8	179	-175.4	-175.2	0	113.1	K530 L531 R536 S537 F538 S571 E573	K530-K534 WeakPolarHBondContact O-CB 3.17Å; K530-K534 PolarHBondContact O-N 3.29Å; L531-K534 PolarHBondContact O-N 3.21Å; K534-R536 VanDerWaalsContact C-N 3.32Å; K534-R536 PolarHBondContact O-N 3.35Å; K534-S537 PolarHBondContact O-N 3.22Å; K534-S537 PolarHBondContact O-OG 3.15Å; K534-F538 HydrophobicContact CG-CE1 4.26Å; K534-F538 HydrophobicContact CG-CZ 4.23Å; K534-S571 WeakPolarHBondContact CE-OG 3.48Å; K534-S571 VanDerWaalsContact NZ-CB 3.26Å; K534-S571 PolarHBondContact NZ-OG 3.15Å; K534-E573 IonicContact NZ-OE1 3.7Å; K534-E573 PolarHBondContact NZ-OE1 3.18Å
535	I	92.2	Very high	87.3	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.046	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-36.2	176.7	-69.6	169.1	0	0	0	111.3	L531 R532 S537 F538 I561 L575 F600 I602	L531-I535 HydrophobicContact CD1-CD1 3.99Å; L531-I535 HydrophobicContact CD1-CG1 4.19Å; L531-I535 HydrophobicContact CD2-CD1 4.46Å; L531-I535 HydrophobicContact CG-CD1 3.79Å; L531-I535 HydrophobicContact CG-CG1 4.41Å; L531-I535 WeakPolarHBondContact O-CB 3.1Å; L531-I535 VanDerWaalsContact O-CG1 3.28Å; L531-I535 WeakPolarHBondContact O-CG1 3.29Å; L531-I535 PolarHBondContact O-N 2.62Å; R532-I535 PolarHBondContact O-N 3.03Å; I535-S537 VanDerWaalsContact C-N 3.33Å; I535-S537 PolarHBondContact O-N 2.93Å; I535-F538 HydrophobicContact CB-CD2 4.38Å; I535-F538 HydrophobicContact CB-CE2 4.3Å; I535-F538 HydrophobicContact CG1-CD2 4.48Å; I535-F538 HydrophobicContact CG1-CE2 3.94Å; I535-F538 HydrophobicContact CG2-CD2 4.43Å; I535-F538 WeakPolarHBondContact O-CD2 3.35Å; I535-F538 PolarHBondContact O-N 2.97Å; I535-I561 HydrophobicContact CD1-CD1 4.44Å; I535-I561 HydrophobicContact CD1-CG2 4.5Å; I535-I561 HydrophobicContact CG1-CD1 4.3Å; I535-I561 HydrophobicContact CG2-CD1 4.29Å; I535-L575 HydrophobicContact CD1-CD1 3.51Å; I535-F600 HydrophobicContact CD1-CB 4.29Å; I535-F600 HydrophobicContact CD1-CG 4.48Å; I535-I602 HydrophobicContact CD1-CD1 4.19Å; I535-I602 HydrophobicContact CG2-CB 4.4Å; I535-I602 HydrophobicContact CG2-CD1 3.9Å; I535-I602 HydrophobicContact CG2-CG1 3.89Å; I535-I602 HydrophobicContact CG2-CG2 3.9Å
536	R	91.8	Very high	88.6	Confident	143 Å²	143	45.2 Å²	45.2	54%	0.54	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-32.3	177.6	-73.1	165.6	-177.2	170.7	1.9	113.2	R532 Q533 K534 F538	R532-R536 WeakPolarHBondContact O-CD 3.48Å; R532-R536 VanDerWaalsContact O-CG 3.23Å; R532-R536 WeakPolarHBondContact O-CG 3.25Å; R532-R536 PolarHBondContact O-N 2.79Å; R532-R536 VanDerWaalsContact O-N 3.11Å; Q533-R536 PolarHBondContact O-N 3.25Å; K534-R536 VanDerWaalsContact C-N 3.32Å; K534-R536 PolarHBondContact O-N 3.35Å; R536-F538 VanDerWaalsContact C-N 3.29Å; R536-F538 PolarHBondContact O-N 3.26Å
537	S	93.5	Very high	89.2	Confident	66 Å²	66	45.5 Å²	45.5	46%	0.462	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8	179.2	65.9	0	0	0	0	114.4	Q533 K534 I535	Q533-S537 PolarHBondContact O-N 2.77Å; K534-S537 PolarHBondContact O-N 3.22Å; K534-S537 PolarHBondContact O-OG 3.15Å; I535-S537 VanDerWaalsContact C-N 3.33Å; I535-S537 PolarHBondContact O-N 2.93Å
538	F	95.9	Very high	89.4	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.018	19%	0.192	C	C	.	.			trans	-67	137.3	173.3	-59.5	-32	0	0	0	111.1	K534 I535 R536 I561 V564 K606	K534-F538 HydrophobicContact CG-CE1 4.26Å; K534-F538 HydrophobicContact CG-CZ 4.23Å; I535-F538 HydrophobicContact CB-CD2 4.38Å; I535-F538 HydrophobicContact CB-CE2 4.3Å; I535-F538 HydrophobicContact CG1-CD2 4.48Å; I535-F538 HydrophobicContact CG1-CE2 3.94Å; I535-F538 HydrophobicContact CG2-CD2 4.43Å; I535-F538 WeakPolarHBondContact O-CD2 3.35Å; I535-F538 PolarHBondContact O-N 2.97Å; R536-F538 VanDerWaalsContact C-N 3.29Å; R536-F538 PolarHBondContact O-N 3.26Å; F538-I561 HydrophobicContact CD2-CD1 4.49Å; F538-I561 HydrophobicContact CE2-CD1 4.29Å; F538-I561 HydrophobicContact CE2-CG1 4.39Å; F538-V564 CarbonylContact C-O 3.58Å; F538-V564 VanDerWaalsContact CA-O 3.24Å; F538-V564 WeakPolarHBondContact CA-O 3.48Å; F538-K606 VanDerWaalsContact O-CD 3.28Å; F538-K606 WeakPolarHBondContact O-CD 3.5Å; F538-K606 WeakPolarHBondContact O-CE 3.42Å; F538-K606 PolarHBondContact O-NZ 2.85Å
539	V	95.4	Very high	88.9	Confident	62 Å²	62	39.2 Å²	39.2	38%	0.376	19%	0.189	S	C	.	.	S	Bend	trans	-90.5	-26.6	168.9	-62	0	0	0	0	111.5	V564 D566 A900	V539-V564 WeakPolarHBondContact CG2-O 3.16Å; V539-V564 PolarHBondContact N-O 3.42Å; V539-D566 HydrophobicContact CG1-CB 4.06Å; V539-A900 HydrophobicContact CG2-CB 3.69Å
540	A	95.9	Very high	88	Confident	3 Å²	3	36.4 Å²	36.4	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	145.3	173.4	0	0	0	0	0	110	G563 V564 V608 A900 R901	A540-G563 WeakPolarHBondContact O-CA 3.39Å; A540-V564 PolarHBondContact O-N 3.42Å; A540-V608 HydrophobicContact CB-CG2 3.98Å; A540-A900 HydrophobicContact CB-CB 4.27Å; A540-R901 HydrophobicContact CB-CG 4.15Å
541	Y	95.9	Very high	86.7	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159	172.8	77.9	-83.6	0	0	0	112.8	I543 I561 R562 I602 D603 K606 L607 V608	Y541-I543 HydrophobicContact CD2-CG2 4.09Å; Y541-I543 HydrophobicContact CE2-CG2 3.98Å; Y541-I561 HydrophobicContact CD2-CD1 3.47Å; Y541-I561 VanDerWaalsContact CD2-CD1 3.47Å; Y541-I561 HydrophobicContact CD2-CG1 3.8Å; Y541-I561 HydrophobicContact CE2-CD1 4.04Å; Y541-I561 HydrophobicContact CG-CD1 3.91Å; Y541-I561 HydrophobicContact CG-CG1 4.3Å; Y541-R562 CarbonylContact C-O 3.53Å; Y541-R562 WeakPolarHBondContact CA-O 3Å; Y541-R562 WeakPolarHBondContact CB-O 3.06Å; Y541-I602 HydrophobicContact CD1-CG2 4.22Å; Y541-I602 HydrophobicContact CE1-CG2 3.49Å; Y541-I602 VanDerWaalsContact CE1-CG2 3.49Å; Y541-I602 HydrophobicContact CE2-CG2 3.97Å; Y541-I602 WeakPolarHBondContact OH-CG2 3.41Å; Y541-D603 WeakPolarHBondContact CE1-O 3.49Å; Y541-K606 HydrophobicContact CD1-CB 3.72Å; Y541-K606 WeakPolarHBondContact CD1-O 3.19Å; Y541-K606 HydrophobicContact CE1-CB 3.83Å; Y541-K606 PolarHBondContact N-O 2.87Å; Y541-L607 HydrophobicContact CD2-CD1 3.99Å; Y541-L607 HydrophobicContact CE1-CB 4.12Å; Y541-L607 HydrophobicContact CE2-CB 4.24Å; Y541-L607 HydrophobicContact CE2-CD1 3.43Å; Y541-L607 VanDerWaalsContact CE2-CD1 3.43Å; Y541-L607 HydrophobicContact CE2-CG 4.4Å; Y541-L607 CarbonylContact O-C 3.34Å; Y541-L607 WeakPolarHBondContact O-CA 3.34Å; Y541-V608 PolarHBondContact O-N 3.45Å
542	S	95.5	Very high	85.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	165.7	169	-59.6	0	0	0	0	110.1	R562 S609 S904	S542-R562 PolarHBondContact N-O 2.98Å; S542-R562 PolarHBondContact O-N 3.08Å; S542-S609 WeakPolarHBondContact CA-O 3.46Å; S542-S609 VanDerWaalsContact CB-O 3.23Å; S542-S609 WeakPolarHBondContact CB-O 3.15Å; S542-S609 WeakPolarHBondContact CB-OG 3.37Å; S542-S609 PolarHBondContact OG-N 2.78Å; S542-S609 VanDerWaalsContact OG-N 3.12Å; S542-S609 PolarHBondContact OG-OG 3.21Å; S542-S609 VanDerWaalsContact OG-OG 3.13Å; S542-S904 WeakPolarHBondContact CB-O 3.45Å; S542-S904 PolarHBondContact OG-O 2.96Å; S542-S904 PolarHBondContact OG-OG 3.31Å
543	I	95	Very high	84.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.6	179.6	61.7	-170.5	0	0	0	111.7	Y541 I545 F560 I561 V593 L597 L607 S609 V610 A611 L629 F906	Y541-I543 HydrophobicContact CD2-CG2 4.09Å; Y541-I543 HydrophobicContact CE2-CG2 3.98Å; I543-I545 HydrophobicContact CD1-CD1 3.8Å; I543-I545 HydrophobicContact CG1-CD1 4.05Å; I543-I545 HydrophobicContact CG1-CG1 4.35Å; I543-F560 CarbonylContact C-O 3.51Å; I543-F560 WeakPolarHBondContact CA-O 3.33Å; I543-F560 WeakPolarHBondContact CB-O 3.48Å; I543-I561 HydrophobicContact CG2-CB 4.45Å; I543-I561 HydrophobicContact CG2-CG1 4.45Å; I543-V593 HydrophobicContact CD1-CG1 4.38Å; I543-L597 HydrophobicContact CD1-CD1 4.46Å; I543-L607 HydrophobicContact CD1-CD1 4.26Å; I543-L607 HydrophobicContact CG1-CD1 4.26Å; I543-L607 HydrophobicContact CG2-CD1 4.43Å; I543-S609 PolarHBondContact N-O 3.1Å; I543-V610 HydrophobicContact CD1-CG2 4.3Å; I543-V610 HydrophobicContact CG1-CB 4.46Å; I543-V610 HydrophobicContact CG1-CG1 4.27Å; I543-V610 HydrophobicContact CG1-CG2 4.06Å; I543-V610 CarbonylContact O-C 3.54Å; I543-V610 WeakPolarHBondContact O-CA 3.46Å; I543-A611 PolarHBondContact O-N 3.08Å; I543-L629 HydrophobicContact CD1-CD1 4.35Å; I543-F906 VanDerWaalsContact C-CD2 3.46Å
544	A	92.2	Very high	83.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.7	170.8	0	0	0	0	0	108.5	F560 A611 F906 I911	A544-F560 HydrophobicContact CB-CB 4.34Å; A544-F560 PolarHBondContact N-O 3.38Å; A544-F560 PolarHBondContact O-N 3.09Å; A544-A611 HydrophobicContact CB-CB 4.13Å; A544-F906 HydrophobicContact CB-CB 4.3Å; A544-F906 HydrophobicContact CB-CD1 4.01Å; A544-F906 HydrophobicContact CB-CD2 3.57Å; A544-F906 HydrophobicContact CB-CE1 4.14Å; A544-F906 HydrophobicContact CB-CE2 3.68Å; A544-F906 HydrophobicContact CB-CG 3.72Å; A544-F906 HydrophobicContact CB-CZ 3.96Å; A544-F906 VanDerWaalsContact N-CE2 3.3Å; A544-I911 HydrophobicContact CB-CG2 4.06Å
545	I	91.1	Very high	82.5	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123	-171.2	-59.1	176.2	0	0	0	109	I543 L557 A558 I559 V593 V610 A611 M618 L625 L629 T909	I543-I545 HydrophobicContact CD1-CD1 3.8Å; I543-I545 HydrophobicContact CG1-CD1 4.05Å; I543-I545 HydrophobicContact CG1-CG1 4.35Å; I545-L557 HydrophobicContact CG2-CD1 3.7Å; I545-L557 HydrophobicContact CG2-CD2 4.25Å; I545-L557 HydrophobicContact CG2-CG 4.02Å; I545-A558 WeakPolarHBondContact CA-O 3.12Å; I545-I559 HydrophobicContact CG1-CG2 4.33Å; I545-V593 HydrophobicContact CD1-CG1 3.94Å; I545-V593 HydrophobicContact CD1-CG2 3.85Å; I545-V610 HydrophobicContact CD1-CG1 4.22Å; I545-A611 PolarHBondContact N-O 2.8Å; I545-M618 HydrophobicContact CG2-CE 4.2Å; I545-L625 HydrophobicContact CB-CD2 4.43Å; I545-L625 HydrophobicContact CD1-CD2 3.8Å; I545-L625 HydrophobicContact CG2-CD2 4.01Å; I545-L629 HydrophobicContact CD1-CD1 4.43Å; I545-T909 WeakPolarHBondContact O-CG2 3.48Å
546	D	86.3	Confident	82.1	Confident	13 Å²	13	41.2 Å²	41.2	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.8	178.1	-143.6	-38.7	0	0	0	111.7	A558 T613 T909 C912	D546-A558 PolarHBondContact N-O 3.24Å; D546-A558 VanDerWaalsContact N-O 3.14Å; D546-A558 PolarHBondContact O-N 3.01Å; D546-T613 HydrophobicContact CB-CG2 4.49Å; D546-T613 WeakPolarHBondContact OD1-CG2 3.41Å; D546-T613 WeakPolarHBondContact OD2-CG2 3.26Å; D546-T909 HydrophobicContact CB-CG2 4.43Å; D546-T909 WeakPolarHBondContact OD2-CB 3.48Å; D546-T909 PolarHBondContact OD2-OG1 2.88Å; D546-C912 HydrophobicContact CB-CB 3.38Å
547	E	81.3	Confident	82	Confident	63 Å²	63	34.4 Å²	34.4	29%	0.294	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	104.5	174.5	-173	178	116	0	0	108.9	T555 K584	E547-T555 HydrophobicContact CG-CG2 3.26Å; E547-T555 WeakPolarHBondContact OE1-CG2 3.4Å; E547-K584 WeakPolarHBondContact OE1-CE 3.39Å; E547-K584 IonicContact OE1-NZ 3.61Å; E547-K584 PolarHBondContact OE1-NZ 3.19Å; E547-K584 WeakPolarHBondContact OE2-CD 2.95Å; E547-K584 IonicContact OE2-NZ 3.49Å
548	I	76.4	Confident	81.8	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.046	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.7	176.6	61.2	170.9	0	0	0	110	Q556 A558 C912 L915 F916 L919	I548-Q556 HydrophobicContact CG1-CB 4.24Å; I548-Q556 PolarHBondContact N-O 2.94Å; I548-Q556 PolarHBondContact O-N 2.97Å; I548-Q556 VanDerWaalsContact O-O 3.05Å; I548-A558 HydrophobicContact CD1-CB 3.95Å; I548-A558 HydrophobicContact CG1-CB 4.1Å; I548-A558 HydrophobicContact CG2-CB 4.35Å; I548-C912 HydrophobicContact CG2-CB 4.33Å; I548-L915 HydrophobicContact CD1-CD2 3.88Å; I548-L915 HydrophobicContact CD1-CG 4.1Å; I548-F916 HydrophobicContact CB-CB 4.44Å; I548-F916 HydrophobicContact CG2-CB 4.23Å; I548-L919 HydrophobicContact CD1-CD1 3.86Å
549	T	67.6	Low	81.7	Confident	49 Å²	49	31 Å²	31	30%	0.301	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.8	165.8	-48.9	0	0	0	0	108.7	D553 F916	T549-D553 HydrophobicContact CG2-CB 4.5Å; T549-D553 WeakPolarHBondContact CG2-OD1 3.45Å; T549-F916 WeakPolarHBondContact O-CD2 3.29Å; T549-F916 WeakPolarHBondContact O-CE2 3.42Å
550	D	62.6	Low	81.5	Confident	23 Å²	23	29 Å²	29	12%	0.123	16%	0.156	C	C	.	.			trans	-82	178.5	174.8	79	24.1	0	0	0	113.3	N552 D553 T554 Q556	D550-N552 PolarHBondContact O-N 3.48Å; D550-N552 VanDerWaalsContact O-N 3.16Å; D550-N552 WeakPolarHBondContact OD1-CA 3.24Å; D550-N552 WeakPolarHBondContact OD1-CB 3.32Å; D550-N552 PolarHBondContact OD1-N 2.83Å; D550-D553 PolarHBondContact O-N 2.63Å; D550-D553 VanDerWaalsContact O-N 3.14Å; D550-T554 PolarHBondContact N-O 3.5Å; D550-T554 WeakPolarHBondContact OD1-CB 3.34Å; D550-T554 PolarHBondContact OD1-N 2.61Å; D550-T554 VanDerWaalsContact OD1-N 3.14Å; D550-Q556 PolarHBondContact OD2-NE2 3.41Å
551	I	58.8	Low	81.5	Confident	69 Å²	69	28.9 Å²	28.9	35%	0.354	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.4	-179.7	49.8	164.2	0	0	0	115.2	K920 K923	I551-K920 HydrophobicContact CG2-CG 3.96Å; I551-K923 HydrophobicContact CD1-CB 3.92Å; I551-K923 HydrophobicContact CD1-CD 3.66Å; I551-K923 HydrophobicContact CD1-CG 3.94Å
552	N	59.4	Low	81.4	Confident	98 Å²	98	29.1 Å²	29.1	52%	0.524	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	24.2	176.2	-39.5	-61.5	0	0	0	110.5	D550 T554 K923	D550-N552 PolarHBondContact O-N 3.48Å; D550-N552 VanDerWaalsContact O-N 3.16Å; D550-N552 WeakPolarHBondContact OD1-CA 3.24Å; D550-N552 WeakPolarHBondContact OD1-CB 3.32Å; D550-N552 PolarHBondContact OD1-N 2.83Å; N552-T554 PolarHBondContact O-N 2.8Å; N552-K923 PolarHBondContact OD1-NZ 3.29Å
553	D	63.5	Low	81.4	Confident	139 Å²	139	29.1 Å²	29.1	74%	0.743	16%	0.156	S	C	*	.	S	Bend	trans	57.8	12.6	-174.9	-140.5	35.4	0	0	0	114.8	T549 D550 T555	T549-D553 HydrophobicContact CG2-CB 4.5Å; T549-D553 WeakPolarHBondContact CG2-OD1 3.45Å; D550-D553 PolarHBondContact O-N 2.63Å; D550-D553 VanDerWaalsContact O-N 3.14Å; D553-T555 PolarHBondContact O-N 3.05Å
554	T	66.7	Low	81.4	Confident	66 Å²	66	29.1 Å²	29.1	41%	0.405	16%	0.156	S	C	.	.			trans	-81.2	121.6	-179.3	-62.1	0	0	0	0	109.6	D550 N552	D550-T554 PolarHBondContact N-O 3.5Å; D550-T554 WeakPolarHBondContact OD1-CB 3.34Å; D550-T554 PolarHBondContact OD1-N 2.61Å; D550-T554 VanDerWaalsContact OD1-N 3.14Å; N552-T554 PolarHBondContact O-N 2.8Å
555	T	76.1	Confident	81.5	Confident	22 Å²	22	30.5 Å²	30.5	14%	0.135	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.1	177.5	-53.4	0	0	0	0	110.4	E547 D553 M580 K584	E547-T555 HydrophobicContact CG-CG2 3.26Å; E547-T555 WeakPolarHBondContact OE1-CG2 3.4Å; D553-T555 PolarHBondContact O-N 3.05Å; T555-M580 HydrophobicContact CG2-CB 3.65Å; T555-M580 HydrophobicContact CG2-CG 4.12Å; T555-M580 PolarHBondContact O-N 3.14Å; T555-K584 PolarHBondContact OG1-NZ 2.93Å
556	Q	83.9	Confident	81.6	Confident	34 Å²	34	35.4 Å²	35.4	16%	0.159	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.5	174.2	-50.3	-169.1	24.7	0	0	111	I548 D550	I548-Q556 HydrophobicContact CG1-CB 4.24Å; I548-Q556 PolarHBondContact N-O 2.94Å; I548-Q556 PolarHBondContact O-N 2.97Å; I548-Q556 VanDerWaalsContact O-O 3.05Å; D550-Q556 PolarHBondContact OD2-NE2 3.41Å
557	L	88.5	Confident	81.9	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.8	172	-168.2	77.2	0	0	0	109.1	I545 I559 T577 V578 M580 I589 R592 V593 M618	I545-L557 HydrophobicContact CG2-CD1 3.7Å; I545-L557 HydrophobicContact CG2-CD2 4.25Å; I545-L557 HydrophobicContact CG2-CG 4.02Å; L557-I559 HydrophobicContact CD2-CD1 4.19Å; L557-I559 HydrophobicContact CD2-CG1 4.18Å; L557-I559 HydrophobicContact CG-CG1 4.35Å; L557-T577 WeakPolarHBondContact O-CA 3.42Å; L557-V578 HydrophobicContact CB-CB 4.42Å; L557-V578 PolarHBondContact N-O 2.67Å; L557-V578 PolarHBondContact O-N 3.21Å; L557-M580 HydrophobicContact CB-CG 3.96Å; L557-M580 HydrophobicContact CB-SD 3.97Å; L557-I589 HydrophobicContact CD1-CG2 3.9Å; L557-I589 HydrophobicContact CD2-CG2 3.79Å; L557-R592 HydrophobicContact CD2-CB 4.37Å; L557-V593 HydrophobicContact CD2-CG2 3.72Å; L557-M618 HydrophobicContact CD1-CE 4.13Å
558	A	90	Very high	82.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.3	172.6	0	0	0	0	0	109.7	I545 D546 I548 F560 C912 L915	I545-A558 WeakPolarHBondContact CA-O 3.12Å; D546-A558 PolarHBondContact N-O 3.24Å; D546-A558 VanDerWaalsContact N-O 3.14Å; D546-A558 PolarHBondContact O-N 3.01Å; I548-A558 HydrophobicContact CD1-CB 3.95Å; I548-A558 HydrophobicContact CG1-CB 4.1Å; I548-A558 HydrophobicContact CG2-CB 4.35Å; A558-F560 HydrophobicContact CB-CE2 4.47Å; A558-C912 HydrophobicContact CB-CB 4.11Å; A558-L915 HydrophobicContact CB-CD2 4.13Å
559	I	92.8	Very high	83.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	111.7	176.7	-52.3	173.9	0	0	0	108.1	I545 L557 L575 D576 V578 V593	I545-I559 HydrophobicContact CG1-CG2 4.33Å; L557-I559 HydrophobicContact CD2-CD1 4.19Å; L557-I559 HydrophobicContact CD2-CG1 4.18Å; L557-I559 HydrophobicContact CG-CG1 4.35Å; I559-L575 HydrophobicContact CG2-CB 4.25Å; I559-L575 HydrophobicContact CG2-CD2 4.07Å; I559-L575 WeakPolarHBondContact O-CA 3.48Å; I559-L575 VanDerWaalsContact O-CB 3.28Å; I559-L575 WeakPolarHBondContact O-CB 3.21Å; I559-L575 PolarHBondContact O-N 2.89Å; I559-D576 HydrophobicContact CD1-CB 4.42Å; I559-D576 PolarHBondContact N-O 3.1Å; I559-D576 PolarHBondContact O-N 3.49Å; I559-V578 HydrophobicContact CD1-CG2 4.22Å; I559-V593 HydrophobicContact CD1-CB 4.39Å; I559-V593 HydrophobicContact CD1-CG2 3.92Å
560	F	92.7	Very high	84.5	Confident	19 Å²	19	40.7 Å²	40.7	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	150.5	171.3	-80	-96.8	0	0	0	111	I543 A544 A558 E573 L574 F906 I911 L915	I543-F560 CarbonylContact C-O 3.51Å; I543-F560 WeakPolarHBondContact CA-O 3.33Å; I543-F560 WeakPolarHBondContact CB-O 3.48Å; A544-F560 HydrophobicContact CB-CB 4.34Å; A544-F560 PolarHBondContact N-O 3.38Å; A544-F560 PolarHBondContact O-N 3.09Å; A558-F560 HydrophobicContact CB-CE2 4.47Å; F560-E573 WeakPolarHBondContact CA-O 3.11Å; F560-E573 WeakPolarHBondContact CD1-O 3.49Å; F560-L574 HydrophobicContact CD1-CB 4.14Å; F560-L574 HydrophobicContact CD2-CD1 4.06Å; F560-L574 HydrophobicContact CE1-CB 3.71Å; F560-L574 HydrophobicContact CE1-CD1 4.24Å; F560-L574 HydrophobicContact CE2-CD1 3.76Å; F560-L574 HydrophobicContact CG-CD1 4.44Å; F560-L574 HydrophobicContact CZ-CB 4.05Å; F560-L574 HydrophobicContact CZ-CD1 3.86Å; F560-L574 HydrophobicContact CZ-CG 4.41Å; F560-F906 HydrophobicContact CB-CE2 4.39Å; F560-F906 HydrophobicContact CB-CZ 3.83Å; F560-I911 HydrophobicContact CB-CD1 4.5Å; F560-I911 HydrophobicContact CB-CG2 3.94Å; F560-I911 HydrophobicContact CD1-CD1 3.45Å; F560-I911 VanDerWaalsContact CD1-CD1 3.45Å; F560-I911 HydrophobicContact CD1-CG1 3.67Å; F560-I911 HydrophobicContact CD1-CG2 4.26Å; F560-I911 HydrophobicContact CD2-CG1 4.43Å; F560-I911 HydrophobicContact CD2-CG2 3.92Å; F560-I911 HydrophobicContact CE1-CD1 3.79Å; F560-I911 HydrophobicContact CE1-CG1 3.64Å; F560-I911 HydrophobicContact CE2-CG1 4.39Å; F560-I911 HydrophobicContact CE2-CG2 4.48Å; F560-I911 HydrophobicContact CG-CD1 4.07Å; F560-I911 HydrophobicContact CG-CG1 4.08Å; F560-I911 HydrophobicContact CG-CG2 3.78Å; F560-I911 HydrophobicContact CZ-CG1 4.01Å; F560-L915 HydrophobicContact CE2-CB 4.08Å; F560-L915 HydrophobicContact CE2-CD2 3.81Å; F560-L915 HydrophobicContact CZ-CB 4.02Å; F560-L915 HydrophobicContact CZ-CD2 4.01Å; F560-L915 HydrophobicContact CZ-CG 4.49Å
561	I	94.1	Very high	85.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134	173.3	-175.6	163.3	0	0	0	110.2	I535 F538 Y541 I543 E572 E573 L575 I602	I535-I561 HydrophobicContact CD1-CD1 4.44Å; I535-I561 HydrophobicContact CD1-CG2 4.5Å; I535-I561 HydrophobicContact CG1-CD1 4.3Å; I535-I561 HydrophobicContact CG2-CD1 4.29Å; F538-I561 HydrophobicContact CD2-CD1 4.49Å; F538-I561 HydrophobicContact CE2-CD1 4.29Å; F538-I561 HydrophobicContact CE2-CG1 4.39Å; Y541-I561 HydrophobicContact CD2-CD1 3.47Å; Y541-I561 VanDerWaalsContact CD2-CD1 3.47Å; Y541-I561 HydrophobicContact CD2-CG1 3.8Å; Y541-I561 HydrophobicContact CE2-CD1 4.04Å; Y541-I561 HydrophobicContact CG-CD1 3.91Å; Y541-I561 HydrophobicContact CG-CG1 4.3Å; I543-I561 HydrophobicContact CG2-CB 4.45Å; I543-I561 HydrophobicContact CG2-CG1 4.45Å; I561-E572 WeakPolarHBondContact O-CA 3.47Å; I561-E573 HydrophobicContact CG2-CB 3.92Å; I561-E573 PolarHBondContact N-O 2.87Å; I561-E573 PolarHBondContact O-N 3.26Å; I561-L575 HydrophobicContact CB-CB 4.48Å; I561-L575 HydrophobicContact CG2-CB 4.18Å; I561-L575 HydrophobicContact CG2-CD1 4.17Å; I561-I602 HydrophobicContact CD1-CD1 3.87Å
562	R	94.5	Very high	87.4	Confident	8 Å²	8	41.2 Å²	41.2	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.8	170.8	177.3	173.8	171.1	142	-14	108.1	Y541 S542 V570 S571 E572 Q769 L903 S904 M905 F906	Y541-R562 CarbonylContact C-O 3.53Å; Y541-R562 WeakPolarHBondContact CA-O 3Å; Y541-R562 WeakPolarHBondContact CB-O 3.06Å; S542-R562 PolarHBondContact N-O 2.98Å; S542-R562 PolarHBondContact O-N 3.08Å; R562-V570 HydrophobicContact CG-CG1 4Å; R562-S571 CarbonylContact C-O 3.56Å; R562-S571 VanDerWaalsContact CA-O 3.31Å; R562-S571 WeakPolarHBondContact CA-O 3.44Å; R562-E572 HydrophobicContact CB-CG 4.05Å; R562-E572 WeakPolarHBondContact CD-OE1 3.36Å; R562-E572 HydrophobicContact CG-CG 3.83Å; R562-E572 IonicContact CZ-OE1 2.95Å; R562-E572 IonicContact NE-OE1 2.71Å; R562-E572 IonicContact NH1-OE1 2.79Å; R562-E572 PolarHBondContact NH1-OE1 3.38Å; R562-Q769 PolarHBondContact NH1-O 2.88Å; R562-Q769 PolarHBondContact NH2-O 3Å; R562-Q769 VanDerWaalsContact NH2-O 3.15Å; R562-L903 PolarHBondContact NE-O 3.09Å; R562-L903 PolarHBondContact NH2-O 3.25Å; R562-S904 WeakPolarHBondContact CB-O 3.26Å; R562-S904 VanDerWaalsContact CD-O 3.32Å; R562-S904 WeakPolarHBondContact CD-O 3.25Å; R562-S904 VanDerWaalsContact CG-O 3.27Å; R562-S904 WeakPolarHBondContact CG-O 3.4Å; R562-M905 PolarHBondContact NE-O 3.12Å; R562-F906 HydrophobicContact CB-CD1 4.15Å; R562-F906 HydrophobicContact CB-CD2 3.76Å; R562-F906 HydrophobicContact CB-CE1 3.79Å; R562-F906 HydrophobicContact CB-CE2 3.38Å; R562-F906 HydrophobicContact CB-CG 4.15Å; R562-F906 HydrophobicContact CB-CZ 3.41Å; R562-F906 VanDerWaalsContact CB-CZ 3.41Å; R562-F906 VanDerWaalsContact N-CE2 3.26Å
563	G	95.1	Very high	88.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	160.8	-178.7	0	0	0	0	0	112.9	A540 V570 S571	A540-G563 WeakPolarHBondContact O-CA 3.39Å; G563-V570 CarbonylContact O-C 3.55Å; G563-V570 WeakPolarHBondContact O-CA 3.37Å; G563-S571 PolarHBondContact N-O 3.01Å; G563-S571 PolarHBondContact O-N 3.49Å
564	V	95.8	Very high	90.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.3	179	-172.8	0	0	0	0	107.8	F538 V539 A540 F568 V570 A900 L903	F538-V564 CarbonylContact C-O 3.58Å; F538-V564 VanDerWaalsContact CA-O 3.24Å; F538-V564 WeakPolarHBondContact CA-O 3.48Å; V539-V564 WeakPolarHBondContact CG2-O 3.16Å; V539-V564 PolarHBondContact N-O 3.42Å; A540-V564 PolarHBondContact O-N 3.42Å; V564-F568 HydrophobicContact CG1-CB 4.43Å; V564-F568 HydrophobicContact CG1-CD1 4.11Å; V564-V570 HydrophobicContact CG2-CG2 4.27Å; V564-A900 HydrophobicContact CG1-CB 4.25Å; V564-L903 HydrophobicContact CG1-CB 4.37Å; V564-L903 HydrophobicContact CG1-CD1 4.41Å; V564-L903 HydrophobicContact CG2-CB 3.74Å
565	D	94.6	Very high	91.3	Very high	29 Å²	29	32.7 Å²	32.7	16%	0.155	17%	0.172	C	C	.	.			trans	-88.1	-179.9	174.2	80.2	-11.1	0	0	0	112.3	N567 F568 D569	D565-N567 PolarHBondContact O-N 2.96Å; D565-N567 WeakPolarHBondContact OD1-CA 3.34Å; D565-N567 WeakPolarHBondContact OD1-CB 3.36Å; D565-N567 PolarHBondContact OD1-N 3.21Å; D565-N567 PolarHBondContact OD2-ND2 3.34Å; D565-F568 PolarHBondContact O-N 3.07Å; D565-F568 PolarHBondContact OD1-N 2.93Å; D565-F568 VanDerWaalsContact OD1-N 3.15Å; D565-D569 PolarHBondContact N-O 3.32Å; D565-D569 PolarHBondContact OD1-N 3.24Å
566	D	92.6	Very high	92	Very high	102 Å²	102	32.7 Å²	32.7	55%	0.545	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.2	178.9	-164.5	41.4	0	0	0	113.7	V539 F568 R896	V539-D566 HydrophobicContact CG1-CB 4.06Å; D566-F568 VanDerWaalsContact C-N 3.29Å; D566-R896 VanDerWaalsContact CG-NH2 3.34Å; D566-R896 PolarHBondContact O-NH2 2.96Å; D566-R896 IonicContact OD1-CZ 2.66Å; D566-R896 IonicContact OD1-NH2 3.88Å; D566-R896 PolarHBondContact OD1-NH2 3.19Å; D566-R896 IonicContact OD2-NH2 3.64Å
567	N	92.9	Very high	92.1	Very high	110 Å²	110	33.6 Å²	33.6	59%	0.588	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-1.8	169.2	-54.4	-68.7	0	0	0	112.3	D565 D569	D565-N567 PolarHBondContact O-N 2.96Å; D565-N567 WeakPolarHBondContact OD1-CA 3.34Å; D565-N567 WeakPolarHBondContact OD1-CB 3.36Å; D565-N567 PolarHBondContact OD1-N 3.21Å; D565-N567 PolarHBondContact OD2-ND2 3.34Å; N567-D569 PolarHBondContact O-N 3.01Å
568	F	94	Very high	92.1	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.031	19%	0.186	C	C	.	.			trans	57.3	29.7	-166.2	-59	-82.7	0	0	0	113.9	V564 D565 D566 V570 Y885 K886 L888 R896 C899 A900 L903	V564-F568 HydrophobicContact CG1-CB 4.43Å; V564-F568 HydrophobicContact CG1-CD1 4.11Å; D565-F568 PolarHBondContact O-N 3.07Å; D565-F568 PolarHBondContact OD1-N 2.93Å; D565-F568 VanDerWaalsContact OD1-N 3.15Å; D566-F568 VanDerWaalsContact C-N 3.29Å; F568-V570 PolarHBondContact O-N 3.26Å; F568-Y885 VanDerWaalsContact CD2-C 3.48Å; F568-Y885 WeakPolarHBondContact CD2-O 3.49Å; F568-Y885 WeakPolarHBondContact CE2-O 3.25Å; F568-K886 HydrophobicContact CB-CG 4.12Å; F568-K886 WeakPolarHBondContact O-CE 3.49Å; F568-L888 HydrophobicContact CZ-CD1 4.45Å; F568-R896 WeakPolarHBondContact CE1-O 3.43Å; F568-R896 HydrophobicContact CE2-CG 4.14Å; F568-R896 HydrophobicContact CZ-CB 3.87Å; F568-R896 HydrophobicContact CZ-CG 3.9Å; F568-R896 WeakPolarHBondContact CZ-O 3.2Å; F568-C899 HydrophobicContact CE1-CB 3.87Å; F568-C899 HydrophobicContact CZ-CB 4.28Å; F568-A900 HydrophobicContact CD1-CB 4.21Å; F568-A900 HydrophobicContact CE1-CB 3.81Å; F568-L903 HydrophobicContact CB-CD1 4.2Å; F568-L903 HydrophobicContact CD1-CD1 3.56Å; F568-L903 HydrophobicContact CE1-CD1 4.33Å; F568-L903 HydrophobicContact CG-CD1 4.28Å
569	D	92.7	Very high	91.8	Very high	74 Å²	74	38.1 Å²	38.1	40%	0.396	21%	0.208	S	C	.	.			trans	-78.4	113.2	165.8	-91.7	-2.7	0	0	0	109.3	D565 N567 K886	D565-D569 PolarHBondContact N-O 3.32Å; D565-D569 PolarHBondContact OD1-N 3.24Å; N567-D569 PolarHBondContact O-N 3.01Å; D569-K886 IonicContact OD1-NZ 3.69Å; D569-K886 PolarHBondContact OD1-NZ 3.34Å
570	V	92.8	Very high	91.3	Very high	54 Å²	54	39 Å²	39	33%	0.327	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.5	176.1	-171.7	0	0	0	0	109.5	R562 G563 V564 F568 L903	R562-V570 HydrophobicContact CG-CG1 4Å; G563-V570 CarbonylContact O-C 3.55Å; G563-V570 WeakPolarHBondContact O-CA 3.37Å; V564-V570 HydrophobicContact CG2-CG2 4.27Å; F568-V570 PolarHBondContact O-N 3.26Å; V570-L903 HydrophobicContact CG2-CB 4.39Å; V570-L903 HydrophobicContact CG2-CD2 4.32Å
571	S	91.5	Very high	90.2	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	130.5	174.7	-77.3	0	0	0	0	111.6	K534 R562 G563	K534-S571 WeakPolarHBondContact CE-OG 3.48Å; K534-S571 VanDerWaalsContact NZ-CB 3.26Å; K534-S571 PolarHBondContact NZ-OG 3.15Å; R562-S571 CarbonylContact C-O 3.56Å; R562-S571 VanDerWaalsContact CA-O 3.31Å; R562-S571 WeakPolarHBondContact CA-O 3.44Å; G563-S571 PolarHBondContact N-O 3.01Å; G563-S571 PolarHBondContact O-N 3.49Å
572	E	91.9	Very high	88.9	Confident	79 Å²	79	46.1 Å²	46.1	37%	0.369	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.5	177.5	-63.2	176.5	145.4	0	0	108.3	I561 R562 F906 I911	I561-E572 WeakPolarHBondContact O-CA 3.47Å; R562-E572 HydrophobicContact CB-CG 4.05Å; R562-E572 WeakPolarHBondContact CD-OE1 3.36Å; R562-E572 HydrophobicContact CG-CG 3.83Å; R562-E572 IonicContact CZ-OE1 2.95Å; R562-E572 IonicContact NE-OE1 2.71Å; R562-E572 IonicContact NH1-OE1 2.79Å; R562-E572 PolarHBondContact NH1-OE1 3.38Å; E572-F906 HydrophobicContact CG-CE1 4.29Å; E572-I911 HydrophobicContact CB-CD1 3.96Å
573	E	90	Very high	87.7	Confident	62 Å²	62	49.4 Å²	49.4	29%	0.29	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.8	-173.2	-59.4	-70.4	171.8	0	0	110.5	L531 K534 F560 I561 L575	L531-E573 HydrophobicContact CD1-CB 3.86Å; L531-E573 HydrophobicContact CD1-CG 3.82Å; K534-E573 IonicContact NZ-OE1 3.7Å; K534-E573 PolarHBondContact NZ-OE1 3.18Å; F560-E573 WeakPolarHBondContact CA-O 3.11Å; F560-E573 WeakPolarHBondContact CD1-O 3.49Å; I561-E573 HydrophobicContact CG2-CB 3.92Å; I561-E573 PolarHBondContact N-O 2.87Å; I561-E573 PolarHBondContact O-N 3.26Å; E573-L575 PolarHBondContact O-N 3.41Å
574	L	90.2	Very high	86.8	Confident	61 Å²	61	54 Å²	54	32%	0.319	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	118.1	167.1	176.3	58.2	0	0	0	108.7	F560 T577 L915	F560-L574 HydrophobicContact CD1-CB 4.14Å; F560-L574 HydrophobicContact CD2-CD1 4.06Å; F560-L574 HydrophobicContact CE1-CB 3.71Å; F560-L574 HydrophobicContact CE1-CD1 4.24Å; F560-L574 HydrophobicContact CE2-CD1 3.76Å; F560-L574 HydrophobicContact CG-CD1 4.44Å; F560-L574 HydrophobicContact CZ-CB 4.05Å; F560-L574 HydrophobicContact CZ-CD1 3.86Å; F560-L574 HydrophobicContact CZ-CG 4.41Å; L574-T577 HydrophobicContact CD1-CG2 4.08Å; L574-T577 HydrophobicContact CD2-CG2 4.19Å; L574-L915 HydrophobicContact CD1-CD2 3.97Å; L574-L915 HydrophobicContact CD2-CD1 4.33Å; L574-L915 HydrophobicContact CD2-CD2 4.05Å
575	L	91	Very high	86.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-49.2	-179.2	-170.5	69.7	0	0	0	111.4	I535 I559 I561 E573 L597 F600 I602	I535-L575 HydrophobicContact CD1-CD1 3.51Å; I559-L575 HydrophobicContact CG2-CB 4.25Å; I559-L575 HydrophobicContact CG2-CD2 4.07Å; I559-L575 WeakPolarHBondContact O-CA 3.48Å; I559-L575 VanDerWaalsContact O-CB 3.28Å; I559-L575 WeakPolarHBondContact O-CB 3.21Å; I559-L575 PolarHBondContact O-N 2.89Å; I561-L575 HydrophobicContact CB-CB 4.48Å; I561-L575 HydrophobicContact CG2-CB 4.18Å; I561-L575 HydrophobicContact CG2-CD1 4.17Å; E573-L575 PolarHBondContact O-N 3.41Å; L575-L597 HydrophobicContact CD2-CD2 3.94Å; L575-F600 HydrophobicContact CD1-CB 4.11Å; L575-F600 HydrophobicContact CD1-CD1 4.26Å; L575-F600 HydrophobicContact CD1-CD2 3.34Å; L575-F600 HydrophobicContact CD1-CE2 3.76Å; L575-F600 HydrophobicContact CD1-CG 3.62Å; L575-F600 HydrophobicContact CD1-CZ 4.37Å; L575-F600 HydrophobicContact CD2-CD2 4.32Å; L575-F600 HydrophobicContact CG-CD2 3.65Å; L575-F600 HydrophobicContact CG-CE2 3.84Å; L575-F600 HydrophobicContact CG-CG 4.43Å; L575-F600 WeakPolarHBondContact O-CE2 3.4Å; L575-F600 VanDerWaalsContact O-CZ 3.23Å; L575-F600 WeakPolarHBondContact O-CZ 3.12Å; L575-I602 HydrophobicContact CD1-CD1 3.97Å; L575-I602 HydrophobicContact CD2-CD1 3.87Å
576	D	89.4	Confident	86	Confident	23 Å²	23	55.4 Å²	55.4	12%	0.123	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	152.9	-180	-128.5	-15.2	0	0	0	112.1	I559 V578 S596 K599	I559-D576 HydrophobicContact CD1-CB 4.42Å; I559-D576 PolarHBondContact N-O 3.1Å; I559-D576 PolarHBondContact O-N 3.49Å; D576-V578 HydrophobicContact CB-CG2 4.05Å; D576-S596 WeakPolarHBondContact CB-OG 3.43Å; D576-S596 VanDerWaalsContact OD2-CB 3.26Å; D576-S596 WeakPolarHBondContact OD2-CB 3.2Å; D576-S596 PolarHBondContact OD2-OG 3.34Å; D576-K599 IonicContact OD1-NZ 3.98Å; D576-K599 PolarHBondContact OD1-NZ 3.32Å; D576-K599 WeakPolarHBondContact OD2-CD 3.23Å; D576-K599 IonicContact OD2-NZ 2.85Å; D576-K599 PolarHBondContact OD2-NZ 3.2Å; D576-K599 VanDerWaalsContact OD2-NZ 3.13Å
577	T	87.8	Confident	85.9	Confident	52 Å²	52	53.7 Å²	53.7	32%	0.319	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.6	165.4	50.1	0	0	0	0	108.5	L557 L574 L915	L557-T577 WeakPolarHBondContact O-CA 3.42Å; L574-T577 HydrophobicContact CD1-CG2 4.08Å; L574-T577 HydrophobicContact CD2-CG2 4.19Å; T577-L915 HydrophobicContact CG2-CD2 3.95Å
578	V	86.8	Confident	85.7	Confident	25 Å²	25	51.6 Å²	51.6	15%	0.152	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.2	-169.9	-166	0	0	0	0	110.5	L557 I559 D576 M580 R592 S596	L557-V578 HydrophobicContact CB-CB 4.42Å; L557-V578 PolarHBondContact N-O 2.67Å; L557-V578 PolarHBondContact O-N 3.21Å; I559-V578 HydrophobicContact CD1-CG2 4.22Å; D576-V578 HydrophobicContact CB-CG2 4.05Å; V578-M580 PolarHBondContact O-N 2.9Å; V578-R592 HydrophobicContact CG1-CB 4.05Å; V578-R592 HydrophobicContact CG1-CG 3.75Å; V578-S596 WeakPolarHBondContact CG2-OG 3.46Å
579	P	84.4	Confident	85.6	Confident	71 Å²	71	51.3 Å²	51.3	46%	0.461	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	131	177.7	-28.7	36.3	0	0	0	113.1	R592	P579-R592 PolarHBondContact O-NE 2.84Å; P579-R592 PolarHBondContact O-NH2 2.74Å
580	M	82.6	Confident	85.6	Confident	17 Å²	17	49 Å²	49	8%	0.084	30%	0.295	C	S	.	.			trans	-97.1	103.4	179.2	-72.5	-63.2	-65.4	0	0	109.4	T555 L557 V578 K584 I589 R592	T555-M580 HydrophobicContact CG2-CB 3.65Å; T555-M580 HydrophobicContact CG2-CG 4.12Å; T555-M580 PolarHBondContact O-N 3.14Å; L557-M580 HydrophobicContact CB-CG 3.96Å; L557-M580 HydrophobicContact CB-SD 3.97Å; V578-M580 PolarHBondContact O-N 2.9Å; M580-K584 HydrophobicContact CE-CG 4.39Å; M580-I589 HydrophobicContact CE-CG1 3.74Å; M580-R592 WeakPolarHBondContact SD-CD 3.33Å
581	T	69.9	Low	85.6	Confident	100 Å²	100	50.3 Å²	50.3	61%	0.613	30%	0.3	S	S	*	.			trans	-120.2	135.6	178.3	47.8	0	0	0	0	109	R592	T581-R592 PolarHBondContact O-NH2 2.63Å; T581-R592 PolarHBondContact OG1-NH2 3.44Å; T581-R592 VanDerWaalsContact OG1-NH2 3.17Å
582	G	67.1	Low	85.6	Confident	70 Å²	70	50.5 Å²	50.5	72%	0.722	30%	0.297	S	S	*	.	S	Bend	trans	81.9	-156.1	-176.5	0	0	0	0	0	114.3	K584	G582-K584 PolarHBondContact O-N 3.36Å
583	A	68.9	Low	85.7	Confident	77 Å²	77	46.7 Å²	46.7	64%	0.636	28%	0.279	S	S	*	.			trans	-71.9	124.6	-169.7	0	0	0	0	0	113.2	S585	A583-S585 PolarHBondContact O-N 3.44Å
584	K	76.5	Confident	85.8	Confident	97 Å²	97	44.7 Å²	44.7	42%	0.422	27%	0.27	S	S	.	.			trans	-75	47.9	-178	-60.2	179.8	174.4	-170.1	0	113.4	E547 T555 M580 G582 A617	E547-K584 WeakPolarHBondContact OE1-CE 3.39Å; E547-K584 IonicContact OE1-NZ 3.61Å; E547-K584 PolarHBondContact OE1-NZ 3.19Å; E547-K584 WeakPolarHBondContact OE2-CD 2.95Å; E547-K584 IonicContact OE2-NZ 3.49Å; T555-K584 PolarHBondContact OG1-NZ 2.93Å; M580-K584 HydrophobicContact CE-CG 4.39Å; G582-K584 PolarHBondContact O-N 3.36Å; K584-A617 VanDerWaalsContact O-CB 3.26Å; K584-A617 WeakPolarHBondContact O-CB 3.32Å
585	S	85.7	Confident	85.9	Confident	53 Å²	53	49.4 Å²	49.4	37%	0.371	29%	0.288	S	S	.	.			trans	-81.2	150.9	179.7	78.6	0	0	0	0	112.3	A583 N587 E588 I589	A583-S585 PolarHBondContact O-N 3.44Å; S585-N587 PolarHBondContact O-N 2.7Å; S585-N587 VanDerWaalsContact O-N 3.15Å; S585-E588 PolarHBondContact O-N 3.18Å; S585-E588 WeakPolarHBondContact OG-CB 3.4Å; S585-E588 PolarHBondContact OG-N 2.84Å; S585-I589 WeakPolarHBondContact O-CG1 3.4Å; S585-I589 PolarHBondContact O-N 2.99Å
586	G	86.8	Confident	86	Confident	4 Å²	4	49.6 Å²	49.6	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-24.7	176.3	0	0	0	0	0	114.2	F590 A617 S623	G586-F590 VanDerWaalsContact O-CB 3.24Å; G586-F590 WeakPolarHBondContact O-CB 3.38Å; G586-F590 PolarHBondContact O-N 3.42Å; G586-F590 VanDerWaalsContact O-N 3.08Å; G586-A617 WeakPolarHBondContact CA-O 3.47Å; G586-S623 CarbonylContact C-O 3.57Å
587	N	90.2	Very high	86.1	Confident	67 Å²	67	48.5 Å²	48.5	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-70.6	-43.9	171.4	-165.6	79.8	0	0	0	112.5	S585 F590 L591 K628	S585-N587 PolarHBondContact O-N 2.7Å; S585-N587 VanDerWaalsContact O-N 3.15Å; N587-F590 WeakPolarHBondContact O-CB 3.48Å; N587-F590 PolarHBondContact O-N 2.98Å; N587-L591 WeakPolarHBondContact O-CG 3.26Å; N587-L591 PolarHBondContact O-N 3.22Å; N587-K628 HydrophobicContact CB-CD 4.29Å; N587-K628 WeakPolarHBondContact OD1-CE 3.24Å; N587-K628 PolarHBondContact OD1-NZ 2.83Å
588	E	89.6	Confident	86.2	Confident	65 Å²	65	51.5 Å²	51.5	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-73.8	-31	-175.4	-170.9	55.4	-158.7	0	0	112.1	S585 R592	S585-E588 PolarHBondContact O-N 3.18Å; S585-E588 WeakPolarHBondContact OG-CB 3.4Å; S585-E588 PolarHBondContact OG-N 2.84Å; E588-R592 VanDerWaalsContact CD-NH1 3.35Å; E588-R592 PolarHBondContact O-N 2.73Å; E588-R592 PolarHBondContact O-NH1 2.89Å; E588-R592 IonicContact OE1-CZ 2.65Å; E588-R592 IonicContact OE1-NH1 3.53Å; E588-R592 PolarHBondContact OE1-NH1 3.27Å; E588-R592 IonicContact OE1-NH2 3.64Å
589	I	91.6	Very high	86.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-67.9	-46.2	166.7	-57.8	165.4	0	0	0	109.9	L557 M580 S585 L591 R592 V593 A617 M618 L625	L557-I589 HydrophobicContact CD1-CG2 3.9Å; L557-I589 HydrophobicContact CD2-CG2 3.79Å; M580-I589 HydrophobicContact CE-CG1 3.74Å; S585-I589 WeakPolarHBondContact O-CG1 3.4Å; S585-I589 PolarHBondContact O-N 2.99Å; I589-L591 VanDerWaalsContact C-N 3.35Å; I589-L591 PolarHBondContact O-N 2.95Å; I589-R592 PolarHBondContact O-N 3.06Å; I589-V593 HydrophobicContact CG2-CG2 4.29Å; I589-V593 WeakPolarHBondContact O-CG2 3.29Å; I589-V593 PolarHBondContact O-N 3.3Å; I589-A617 HydrophobicContact CD1-CB 3.84Å; I589-M618 HydrophobicContact CD1-CE 4.14Å; I589-M618 HydrophobicContact CD1-SD 4.24Å; I589-M618 HydrophobicContact CG2-CE 4.38Å; I589-M618 HydrophobicContact CG2-SD 4.32Å; I589-L625 HydrophobicContact CG2-CB 4.5Å; I589-L625 HydrophobicContact CG2-CD1 4.06Å; I589-L625 HydrophobicContact CG2-CD2 3.8Å; I589-L625 HydrophobicContact CG2-CG 4.33Å
590	F	93.5	Very high	86.4	Confident	25 Å²	25	51.3 Å²	51.3	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-42.4	178.1	169.8	-95.7	0	0	0	112.8	G586 N587 R592 V593 E594 L625 K628 L629 R632	G586-F590 VanDerWaalsContact O-CB 3.24Å; G586-F590 WeakPolarHBondContact O-CB 3.38Å; G586-F590 PolarHBondContact O-N 3.42Å; G586-F590 VanDerWaalsContact O-N 3.08Å; N587-F590 WeakPolarHBondContact O-CB 3.48Å; N587-F590 PolarHBondContact O-N 2.98Å; F590-R592 PolarHBondContact O-N 2.75Å; F590-V593 PolarHBondContact O-N 3.04Å; F590-E594 HydrophobicContact CZ-CB 4.43Å; F590-E594 HydrophobicContact CZ-CG 4.4Å; F590-E594 WeakPolarHBondContact O-CB 3.31Å; F590-E594 PolarHBondContact O-N 2.9Å; F590-L625 VanDerWaalsContact CA-CD1 3.48Å; F590-L625 HydrophobicContact CB-CD1 3.83Å; F590-L625 HydrophobicContact CD2-CD1 4.42Å; F590-K628 HydrophobicContact CB-CB 4.05Å; F590-K628 HydrophobicContact CB-CD 3.89Å; F590-K628 HydrophobicContact CD1-CB 4.25Å; F590-K628 HydrophobicContact CD1-CD 4.4Å; F590-K628 HydrophobicContact CD2-CB 3.47Å; F590-K628 VanDerWaalsContact CD2-CB 3.47Å; F590-K628 HydrophobicContact CE2-CB 3.94Å; F590-K628 HydrophobicContact CG-CB 3.64Å; F590-K628 HydrophobicContact CG-CD 4.12Å; F590-K628 HydrophobicContact CG-CG 4.48Å; F590-L629 HydrophobicContact CD2-CD2 3.89Å; F590-L629 HydrophobicContact CD2-CG 4.11Å; F590-L629 HydrophobicContact CE2-CD2 3.96Å; F590-L629 HydrophobicContact CE2-CG 4.45Å; F590-R632 HydrophobicContact CE2-CB 3.97Å; F590-R632 HydrophobicContact CE2-CG 4.35Å; F590-R632 HydrophobicContact CZ-CB 4.06Å; F590-R632 HydrophobicContact CZ-CG 4.17Å
591	L	92.1	Very high	86.6	Confident	82 Å²	82	54.1 Å²	54.1	43%	0.429	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-39.2	177.9	-71	174.3	0	0	0	112.4	N587 I589 K595	N587-L591 WeakPolarHBondContact O-CG 3.26Å; N587-L591 PolarHBondContact O-N 3.22Å; I589-L591 VanDerWaalsContact C-N 3.35Å; I589-L591 PolarHBondContact O-N 2.95Å; L591-K595 WeakPolarHBondContact O-CB 3.45Å; L591-K595 PolarHBondContact O-N 3.24Å; L591-K595 VanDerWaalsContact O-N 3.09Å
592	R	91.9	Very high	87.4	Confident	29 Å²	29	50 Å²	50	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-48.9	172.1	-77	177.6	172.1	69.7	-3.8	111.5	L557 V578 P579 M580 T581 E588 I589 F590 E594 K595 S596	L557-R592 HydrophobicContact CD2-CB 4.37Å; V578-R592 HydrophobicContact CG1-CB 4.05Å; V578-R592 HydrophobicContact CG1-CG 3.75Å; P579-R592 PolarHBondContact O-NE 2.84Å; P579-R592 PolarHBondContact O-NH2 2.74Å; M580-R592 WeakPolarHBondContact SD-CD 3.33Å; T581-R592 PolarHBondContact O-NH2 2.63Å; T581-R592 PolarHBondContact OG1-NH2 3.44Å; T581-R592 VanDerWaalsContact OG1-NH2 3.17Å; E588-R592 VanDerWaalsContact CD-NH1 3.35Å; E588-R592 PolarHBondContact O-N 2.73Å; E588-R592 PolarHBondContact O-NH1 2.89Å; E588-R592 IonicContact OE1-CZ 2.65Å; E588-R592 IonicContact OE1-NH1 3.53Å; E588-R592 PolarHBondContact OE1-NH1 3.27Å; E588-R592 IonicContact OE1-NH2 3.64Å; I589-R592 PolarHBondContact O-N 3.06Å; F590-R592 PolarHBondContact O-N 2.75Å; R592-E594 PolarHBondContact O-N 2.87Å; R592-K595 WeakPolarHBondContact O-CB 3.32Å; R592-K595 PolarHBondContact O-N 2.82Å; R592-S596 PolarHBondContact O-N 3.19Å; R592-S596 PolarHBondContact O-OG 3.17Å
593	V	93	Very high	88.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-44.8	-179.7	175.4	0	0	0	0	111.5	I543 I545 L557 I559 I589 F590 K595 S596 L597 L625 L629	I543-V593 HydrophobicContact CD1-CG1 4.38Å; I545-V593 HydrophobicContact CD1-CG1 3.94Å; I545-V593 HydrophobicContact CD1-CG2 3.85Å; L557-V593 HydrophobicContact CD2-CG2 3.72Å; I559-V593 HydrophobicContact CD1-CB 4.39Å; I559-V593 HydrophobicContact CD1-CG2 3.92Å; I589-V593 HydrophobicContact CG2-CG2 4.29Å; I589-V593 WeakPolarHBondContact O-CG2 3.29Å; I589-V593 PolarHBondContact O-N 3.3Å; F590-V593 PolarHBondContact O-N 3.04Å; V593-K595 VanDerWaalsContact C-N 3.32Å; V593-K595 PolarHBondContact O-N 2.87Å; V593-S596 PolarHBondContact O-N 3Å; V593-L597 HydrophobicContact CG1-CD1 3.88Å; V593-L597 HydrophobicContact CG1-CG 4.32Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.26Å; V593-L597 PolarHBondContact O-N 3.42Å; V593-L625 HydrophobicContact CB-CD1 4.38Å; V593-L625 HydrophobicContact CG2-CD1 4.12Å; V593-L629 HydrophobicContact CG1-CD2 4.08Å
594	E	93.3	Very high	89.6	Confident	19 Å²	19	48 Å²	48	9%	0.089	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-35.6	177.9	-152.8	-148	-175.7	0	0	111.7	F590 R592 L597 K598 W604 R632	F590-E594 HydrophobicContact CZ-CB 4.43Å; F590-E594 HydrophobicContact CZ-CG 4.4Å; F590-E594 WeakPolarHBondContact O-CB 3.31Å; F590-E594 PolarHBondContact O-N 2.9Å; R592-E594 PolarHBondContact O-N 2.87Å; E594-L597 PolarHBondContact O-N 2.92Å; E594-K598 HydrophobicContact CG-CD 4.47Å; E594-K598 WeakPolarHBondContact O-CB 3.43Å; E594-K598 WeakPolarHBondContact O-CD 3.24Å; E594-K598 WeakPolarHBondContact O-CG 3.47Å; E594-K598 PolarHBondContact O-N 3.42Å; E594-K598 WeakPolarHBondContact OE1-CE 3.49Å; E594-K598 IonicContact OE1-NZ 2.67Å; E594-K598 PolarHBondContact OE1-NZ 2.78Å; E594-K598 VanDerWaalsContact OE1-NZ 3.09Å; E594-K598 WeakPolarHBondContact OE2-CE 3.28Å; E594-K598 IonicContact OE2-NZ 3.53Å; E594-K598 PolarHBondContact OE2-NZ 3.15Å; E594-W604 HydrophobicContact CG-CH2 4.1Å; E594-W604 HydrophobicContact CG-CZ2 3.68Å; E594-R632 IonicContact OE1-CZ 2.74Å; E594-R632 VanDerWaalsContact OE1-CZ 3.27Å; E594-R632 IonicContact OE1-NE 3.49Å; E594-R632 PolarHBondContact OE1-NE 3.26Å; E594-R632 IonicContact OE1-NH2 2.69Å; E594-R632 PolarHBondContact OE1-NH2 2.93Å
595	K	92.6	Very high	90.2	Very high	161 Å²	161	46.6 Å²	46.6	70%	0.7	24%	0.24	S	C	*	.	H	α-helix	trans	-62.9	-44.4	173.4	-174.1	-178.5	-180	-177.7	0	111.8	L591 R592 V593 K598 K599	L591-K595 WeakPolarHBondContact O-CB 3.45Å; L591-K595 PolarHBondContact O-N 3.24Å; L591-K595 VanDerWaalsContact O-N 3.09Å; R592-K595 WeakPolarHBondContact O-CB 3.32Å; R592-K595 PolarHBondContact O-N 2.82Å; V593-K595 VanDerWaalsContact C-N 3.32Å; V593-K595 PolarHBondContact O-N 2.87Å; K595-K598 PolarHBondContact O-N 3.25Å; K595-K599 WeakPolarHBondContact O-CB 3.35Å; K595-K599 PolarHBondContact O-N 2.82Å
596	S	92	Very high	90.6	Very high	4 Å²	4	47 Å²	47	3%	0.028	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-43.4	175.4	-65.6	0	0	0	0	112.4	D576 V578 R592 V593 K598 K599 F600	D576-S596 WeakPolarHBondContact CB-OG 3.43Å; D576-S596 VanDerWaalsContact OD2-CB 3.26Å; D576-S596 WeakPolarHBondContact OD2-CB 3.2Å; D576-S596 PolarHBondContact OD2-OG 3.34Å; V578-S596 WeakPolarHBondContact CG2-OG 3.46Å; R592-S596 PolarHBondContact O-N 3.19Å; R592-S596 PolarHBondContact O-OG 3.17Å; V593-S596 PolarHBondContact O-N 3Å; S596-K598 VanDerWaalsContact C-N 3.29Å; S596-K598 PolarHBondContact O-N 2.98Å; S596-K599 WeakPolarHBondContact O-CB 3.43Å; S596-K599 PolarHBondContact O-N 2.75Å; S596-F600 VanDerWaalsContact O-CD2 3.29Å; S596-F600 WeakPolarHBondContact O-CD2 3.04Å; S596-F600 PolarHBondContact O-N 3.27Å
597	L	91.1	Very high	91	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-35.6	175.4	-66.6	171.6	0	0	0	112.1	I543 L575 V593 E594 S601 I602 W604	I543-L597 HydrophobicContact CD1-CD1 4.46Å; L575-L597 HydrophobicContact CD2-CD2 3.94Å; V593-L597 HydrophobicContact CG1-CD1 3.88Å; V593-L597 HydrophobicContact CG1-CG 4.32Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.26Å; V593-L597 PolarHBondContact O-N 3.42Å; E594-L597 PolarHBondContact O-N 2.92Å; L597-S601 PolarHBondContact O-N 3.47Å; L597-I602 HydrophobicContact CD2-CD1 3.83Å; L597-I602 HydrophobicContact CD2-CG1 4.49Å; L597-I602 PolarHBondContact O-N 3.29Å; L597-W604 HydrophobicContact CB-CZ2 4.07Å; L597-W604 HydrophobicContact CD1-CH2 3.4Å; L597-W604 HydrophobicContact CD1-CZ2 3.55Å; L597-W604 HydrophobicContact CD1-CZ3 4.07Å; L597-W604 HydrophobicContact CG-CZ2 4.47Å
598	K	90.3	Very high	91.2	Very high	115 Å²	115	44.3 Å²	44.3	50%	0.5	22%	0.219	S	C	.	.	H	α-helix	trans	-66.4	-43.3	172.2	-75.6	165.5	175.7	169.7	0	112.6	E594 K595 S596 F600 S601	E594-K598 HydrophobicContact CG-CD 4.47Å; E594-K598 WeakPolarHBondContact O-CB 3.43Å; E594-K598 WeakPolarHBondContact O-CD 3.24Å; E594-K598 WeakPolarHBondContact O-CG 3.47Å; E594-K598 PolarHBondContact O-N 3.42Å; E594-K598 WeakPolarHBondContact OE1-CE 3.49Å; E594-K598 IonicContact OE1-NZ 2.67Å; E594-K598 PolarHBondContact OE1-NZ 2.78Å; E594-K598 VanDerWaalsContact OE1-NZ 3.09Å; E594-K598 WeakPolarHBondContact OE2-CE 3.28Å; E594-K598 IonicContact OE2-NZ 3.53Å; E594-K598 PolarHBondContact OE2-NZ 3.15Å; K595-K598 PolarHBondContact O-N 3.25Å; S596-K598 VanDerWaalsContact C-N 3.29Å; S596-K598 PolarHBondContact O-N 2.98Å; K598-F600 PolarHBondContact O-N 3.38Å; K598-S601 PolarHBondContact O-N 3Å
599	K	88.5	Confident	91.3	Very high	90 Å²	90	41.2 Å²	41.2	39%	0.391	21%	0.205	S	C	.	.	H	α-helix	trans	-54	-31.8	177.3	168.7	-170.6	170.8	-171.9	0	113.2	D576 K595 S596	D576-K599 IonicContact OD1-NZ 3.98Å; D576-K599 PolarHBondContact OD1-NZ 3.32Å; D576-K599 WeakPolarHBondContact OD2-CD 3.23Å; D576-K599 IonicContact OD2-NZ 2.85Å; D576-K599 PolarHBondContact OD2-NZ 3.2Å; D576-K599 VanDerWaalsContact OD2-NZ 3.13Å; K595-K599 WeakPolarHBondContact O-CB 3.35Å; K595-K599 PolarHBondContact O-N 2.82Å; S596-K599 WeakPolarHBondContact O-CB 3.43Å; S596-K599 PolarHBondContact O-N 2.75Å
600	F	88	Confident	91.4	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	4.4	177.9	-65.7	-75.2	0	0	0	114.8	W528 L531 R532 I535 L575 S596 K598 I602	W528-F600 HydrophobicContact CD2-CE1 4.21Å; W528-F600 HydrophobicContact CD2-CZ 4.33Å; W528-F600 AromaticContact CE3-CE1 3.5Å; W528-F600 HydrophobicContact CE3-CE1 3.5Å; W528-F600 VanDerWaalsContact CE3-CE1 3.5Å; W528-F600 AromaticContact CE3-CZ 3.59Å; W528-F600 HydrophobicContact CE3-CZ 3.59Å; W528-F600 HydrophobicContact CH2-CZ 4.36Å; W528-F600 AromaticContact CZ3-CE1 3.97Å; W528-F600 HydrophobicContact CZ3-CE1 3.97Å; W528-F600 AromaticContact CZ3-CZ 3.6Å; W528-F600 HydrophobicContact CZ3-CZ 3.6Å; L531-F600 HydrophobicContact CD2-CD1 4.46Å; L531-F600 HydrophobicContact CD2-CE1 3.97Å; L531-F600 HydrophobicContact CD2-CZ 4.38Å; R532-F600 HydrophobicContact CG-CD1 4.02Å; I535-F600 HydrophobicContact CD1-CB 4.29Å; I535-F600 HydrophobicContact CD1-CG 4.48Å; L575-F600 HydrophobicContact CD1-CB 4.11Å; L575-F600 HydrophobicContact CD1-CD1 4.26Å; L575-F600 HydrophobicContact CD1-CD2 3.34Å; L575-F600 HydrophobicContact CD1-CE2 3.76Å; L575-F600 HydrophobicContact CD1-CG 3.62Å; L575-F600 HydrophobicContact CD1-CZ 4.37Å; L575-F600 HydrophobicContact CD2-CD2 4.32Å; L575-F600 HydrophobicContact CG-CD2 3.65Å; L575-F600 HydrophobicContact CG-CE2 3.84Å; L575-F600 HydrophobicContact CG-CG 4.43Å; L575-F600 WeakPolarHBondContact O-CE2 3.4Å; L575-F600 VanDerWaalsContact O-CZ 3.23Å; L575-F600 WeakPolarHBondContact O-CZ 3.12Å; S596-F600 VanDerWaalsContact O-CD2 3.29Å; S596-F600 WeakPolarHBondContact O-CD2 3.04Å; S596-F600 PolarHBondContact O-N 3.27Å; K598-F600 PolarHBondContact O-N 3.38Å; F600-I602 VanDerWaalsContact C-N 3.31Å; F600-I602 HydrophobicContact CB-CD1 3.96Å; F600-I602 HydrophobicContact CB-CG1 3.69Å; F600-I602 PolarHBondContact O-N 2.89Å
601	S	86.2	Confident	91.2	Very high	76 Å²	76	40 Å²	40	53%	0.531	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	40.8	179.8	-44.9	0	0	0	0	113.5	L597 K598	L597-S601 PolarHBondContact O-N 3.47Å; K598-S601 PolarHBondContact O-N 3Å
602	I	87.7	Confident	91	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.072	18%	0.179	C	C	.	.			trans	-79.1	135.2	-172.6	-41.6	-166.6	0	0	0	111.5	I535 Y541 I561 L575 L597 F600 W604	I535-I602 HydrophobicContact CD1-CD1 4.19Å; I535-I602 HydrophobicContact CG2-CB 4.4Å; I535-I602 HydrophobicContact CG2-CD1 3.9Å; I535-I602 HydrophobicContact CG2-CG1 3.89Å; I535-I602 HydrophobicContact CG2-CG2 3.9Å; Y541-I602 HydrophobicContact CD1-CG2 4.22Å; Y541-I602 HydrophobicContact CE1-CG2 3.49Å; Y541-I602 VanDerWaalsContact CE1-CG2 3.49Å; Y541-I602 HydrophobicContact CE2-CG2 3.97Å; Y541-I602 WeakPolarHBondContact OH-CG2 3.41Å; I561-I602 HydrophobicContact CD1-CD1 3.87Å; L575-I602 HydrophobicContact CD1-CD1 3.97Å; L575-I602 HydrophobicContact CD2-CD1 3.87Å; L597-I602 HydrophobicContact CD2-CD1 3.83Å; L597-I602 HydrophobicContact CD2-CG1 4.49Å; L597-I602 PolarHBondContact O-N 3.29Å; F600-I602 VanDerWaalsContact C-N 3.31Å; F600-I602 HydrophobicContact CB-CD1 3.96Å; F600-I602 HydrophobicContact CB-CG1 3.69Å; F600-I602 PolarHBondContact O-N 2.89Å; I602-W604 PolarHBondContact O-N 2.93Å
603	D	90.2	Very high	90.3	Very high	77 Å²	77	35.8 Å²	35.8	41%	0.412	18%	0.181	S	C	.	.			trans	-78.8	105	179	174.3	6.6	0	0	0	111.7	Y541 S605 K606	Y541-D603 WeakPolarHBondContact CE1-O 3.49Å; D603-S605 PolarHBondContact O-N 2.86Å; D603-S605 VanDerWaalsContact OD1-CB 3.25Å; D603-S605 WeakPolarHBondContact OD1-CB 3.45Å; D603-S605 PolarHBondContact OD1-N 2.81Å; D603-S605 PolarHBondContact OD1-OG 3.4Å; D603-S605 PolarHBondContact OD2-OG 3.39Å; D603-K606 HydrophobicContact CB-CD 4.39Å; D603-K606 PolarHBondContact O-N 2.86Å; D603-K606 VanDerWaalsContact O-N 3.12Å; D603-K606 VanDerWaalsContact OD2-CE 3.31Å; D603-K606 WeakPolarHBondContact OD2-CE 3.48Å
604	W	91.1	Very high	89.5	Confident	29 Å²	29	37.2 Å²	37.2	11%	0.11	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.9	-19.1	-179.5	-69.4	79.7	0	0	0	114.7	E594 L597 I602 K606 L607 L629 R632 C636	E594-W604 HydrophobicContact CG-CH2 4.1Å; E594-W604 HydrophobicContact CG-CZ2 3.68Å; L597-W604 HydrophobicContact CB-CZ2 4.07Å; L597-W604 HydrophobicContact CD1-CH2 3.4Å; L597-W604 HydrophobicContact CD1-CZ2 3.55Å; L597-W604 HydrophobicContact CD1-CZ3 4.07Å; L597-W604 HydrophobicContact CG-CZ2 4.47Å; I602-W604 PolarHBondContact O-N 2.93Å; W604-K606 PolarHBondContact O-N 3.37Å; W604-L607 HydrophobicContact CE3-CD2 4.17Å; W604-L607 HydrophobicContact CZ3-CD2 4.26Å; W604-L607 PolarHBondContact O-N 3.43Å; W604-L629 HydrophobicContact CH2-CD2 3.86Å; W604-L629 HydrophobicContact CZ3-CD2 3.88Å; W604-R632 HydrophobicContact CD2-CG 4.36Å; W604-R632 HydrophobicContact CE3-CB 4.5Å; W604-R632 HydrophobicContact CE3-CG 4.01Å; W604-R632 HydrophobicContact CH2-CB 4.37Å; W604-R632 HydrophobicContact CH2-CG 3.72Å; W604-R632 HydrophobicContact CZ2-CG 4.09Å; W604-R632 HydrophobicContact CZ3-CB 4.02Å; W604-R632 HydrophobicContact CZ3-CG 3.68Å; W604-C636 HydrophobicContact CB-CB 4Å
605	S	90	Very high	88.8	Confident	67 Å²	67	39.3 Å²	39.3	47%	0.469	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-65.6	-23.5	177.4	74.2	0	0	0	0	113.2	D603 C637	D603-S605 PolarHBondContact O-N 2.86Å; D603-S605 VanDerWaalsContact OD1-CB 3.25Å; D603-S605 WeakPolarHBondContact OD1-CB 3.45Å; D603-S605 PolarHBondContact OD1-N 2.81Å; D603-S605 PolarHBondContact OD1-OG 3.4Å; D603-S605 PolarHBondContact OD2-OG 3.39Å; S605-C637 VanDerWaalsContact CA-SG 3.53Å; S605-C637 WeakPolarHBondContact CB-SG 3.33Å
606	K	93.2	Very high	88.3	Confident	61 Å²	61	36.7 Å²	36.7	27%	0.265	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-95.8	-0.7	-175.9	-55.9	-179.9	-179.7	-177.6	0	113.8	F538 Y541 D603 W604 V608	F538-K606 VanDerWaalsContact O-CD 3.28Å; F538-K606 WeakPolarHBondContact O-CD 3.5Å; F538-K606 WeakPolarHBondContact O-CE 3.42Å; F538-K606 PolarHBondContact O-NZ 2.85Å; Y541-K606 HydrophobicContact CD1-CB 3.72Å; Y541-K606 WeakPolarHBondContact CD1-O 3.19Å; Y541-K606 HydrophobicContact CE1-CB 3.83Å; Y541-K606 PolarHBondContact N-O 2.87Å; D603-K606 HydrophobicContact CB-CD 4.39Å; D603-K606 PolarHBondContact O-N 2.86Å; D603-K606 VanDerWaalsContact O-N 3.12Å; D603-K606 VanDerWaalsContact OD2-CE 3.31Å; D603-K606 WeakPolarHBondContact OD2-CE 3.48Å; W604-K606 PolarHBondContact O-N 3.37Å; K606-V608 PolarHBondContact O-N 2.93Å
607	L	94.8	Very high	88	Confident	13 Å²	13	37.8 Å²	37.8	7%	0.068	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	119.4	179.9	-178.7	67.9	0	0	0	110.7	Y541 I543 W604 L642	Y541-L607 HydrophobicContact CD2-CD1 3.99Å; Y541-L607 HydrophobicContact CE1-CB 4.12Å; Y541-L607 HydrophobicContact CE2-CB 4.24Å; Y541-L607 HydrophobicContact CE2-CD1 3.43Å; Y541-L607 VanDerWaalsContact CE2-CD1 3.43Å; Y541-L607 HydrophobicContact CE2-CG 4.4Å; Y541-L607 CarbonylContact O-C 3.34Å; Y541-L607 WeakPolarHBondContact O-CA 3.34Å; I543-L607 HydrophobicContact CD1-CD1 4.26Å; I543-L607 HydrophobicContact CG1-CD1 4.26Å; I543-L607 HydrophobicContact CG2-CD1 4.43Å; W604-L607 HydrophobicContact CE3-CD2 4.17Å; W604-L607 HydrophobicContact CZ3-CD2 4.26Å; W604-L607 PolarHBondContact O-N 3.43Å; L607-L642 HydrophobicContact CD1-CD1 4.48Å; L607-L642 HydrophobicContact CD2-CD1 3.64Å; L607-L642 HydrophobicContact CD2-CD2 4.22Å; L607-L642 HydrophobicContact CG-CD1 3.59Å
608	V	93.8	Very high	87.8	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-50	-175.1	-177.1	0	0	0	0	112.7	A540 Y541 K606 K643 R901 M905	A540-V608 HydrophobicContact CB-CG2 3.98Å; Y541-V608 PolarHBondContact O-N 3.45Å; K606-V608 PolarHBondContact O-N 2.93Å; V608-K643 PolarHBondContact O-N 3.4Å; V608-R901 HydrophobicContact CG1-CB 3.93Å; V608-R901 HydrophobicContact CG1-CG 4.49Å; V608-R901 HydrophobicContact CG2-CB 3.9Å; V608-R901 HydrophobicContact CG2-CG 3.71Å; V608-M905 HydrophobicContact CG1-CG 4.06Å
609	S	93.1	Very high	87.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.3	179.3	78.8	0	0	0	0	115	S542 I543 K643	S542-S609 WeakPolarHBondContact CA-O 3.46Å; S542-S609 VanDerWaalsContact CB-O 3.23Å; S542-S609 WeakPolarHBondContact CB-O 3.15Å; S542-S609 WeakPolarHBondContact CB-OG 3.37Å; S542-S609 PolarHBondContact OG-N 2.78Å; S542-S609 VanDerWaalsContact OG-N 3.12Å; S542-S609 PolarHBondContact OG-OG 3.21Å; S542-S609 VanDerWaalsContact OG-OG 3.13Å; I543-S609 PolarHBondContact N-O 3.1Å; S609-K643 CarbonylContact C-O 3.32Å; S609-K643 WeakPolarHBondContact CA-O 3.45Å; S609-K643 WeakPolarHBondContact CB-O 3.48Å
610	V	92.5	Very high	87.4	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.2	170	-175.4	0	0	0	0	109	I543 I545 V626 L629 L642 K643 V645	I543-V610 HydrophobicContact CD1-CG2 4.3Å; I543-V610 HydrophobicContact CG1-CB 4.46Å; I543-V610 HydrophobicContact CG1-CG1 4.27Å; I543-V610 HydrophobicContact CG1-CG2 4.06Å; I543-V610 CarbonylContact O-C 3.54Å; I543-V610 WeakPolarHBondContact O-CA 3.46Å; I545-V610 HydrophobicContact CD1-CG1 4.22Å; V610-V626 HydrophobicContact CB-CG2 4.32Å; V610-V626 HydrophobicContact CG1-CG2 4.12Å; V610-L629 HydrophobicContact CG1-CD1 4.15Å; V610-L629 HydrophobicContact CG2-CD1 3.71Å; V610-L642 HydrophobicContact CG2-CD1 4.21Å; V610-L642 HydrophobicContact CG2-CD2 4.08Å; V610-L642 HydrophobicContact CG2-CG 4.4Å; V610-K643 PolarHBondContact N-O 2.85Å; V610-V645 PolarHBondContact O-N 3.3Å
611	A	89.4	Confident	87.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.6	166.1	0	0	0	0	0	109.9	I543 A544 I545 V645 F906 T909	I543-A611 PolarHBondContact O-N 3.08Å; A544-A611 HydrophobicContact CB-CB 4.13Å; I545-A611 PolarHBondContact N-O 2.8Å; A611-V645 VanDerWaalsContact CA-O 3.3Å; A611-V645 WeakPolarHBondContact CA-O 3.34Å; A611-V645 HydrophobicContact CB-CB 4.32Å; A611-F906 HydrophobicContact CB-CB 3.78Å; A611-T909 HydrophobicContact CB-CG2 4.38Å
612	S	88	Confident	87.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.3	179.7	69.5	0	0	0	0	112.3	G614 V645 R646 C647 T909	S612-G614 PolarHBondContact O-N 3Å; S612-V645 PolarHBondContact N-O 3.21Å; S612-R646 CarbonylContact O-C 3.51Å; S612-R646 WeakPolarHBondContact O-CA 3.4Å; S612-C647 PolarHBondContact O-N 2.8Å; S612-T909 VanDerWaalsContact CA-CG2 3.49Å
613	T	76.7	Confident	87.2	Confident	23 Å²	23	42 Å²	42	14%	0.141	26%	0.259	C	S	.	.			trans	-62.2	-9.4	-175.7	52	0	0	0	0	116.4	D546 T615 H650	D546-T613 HydrophobicContact CB-CG2 4.49Å; D546-T613 WeakPolarHBondContact OD1-CG2 3.41Å; D546-T613 WeakPolarHBondContact OD2-CG2 3.26Å; T613-T615 VanDerWaalsContact C-N 3.34Å; T613-H650 WeakPolarHBondContact CG2-NE2 3.48Å
614	G	77	Confident	87.3	Confident	29 Å²	29	38.3 Å²	38.3	30%	0.299	24%	0.239	S	C	.	.			trans	81.3	8.4	177.5	0	0	0	0	0	115.6	S612	S612-G614 PolarHBondContact O-N 3Å
615	T	78.7	Confident	87.3	Confident	63 Å²	63	37 Å²	37	39%	0.387	23%	0.234	S	C	.	.			trans	-66.1	160.1	174.8	60.9	0	0	0	0	111.8	T613 A617 M618 M619	T613-T615 VanDerWaalsContact C-N 3.34Å; T615-A617 VanDerWaalsContact C-N 3.29Å; T615-A617 PolarHBondContact O-N 3.31Å; T615-M618 PolarHBondContact O-N 3.46Å; T615-M618 WeakPolarHBondContact OG1-CG 3Å; T615-M619 PolarHBondContact O-N 3.19Å
616	P	81.6	Confident	87.4	Confident	107 Å²	107	33.9 Å²	33.9	70%	0.695	21%	0.212	S	C	*	.	H	α-helix	trans	-55.5	-40	179.3	-27.6	36.1	0	0	0	113.7	M618 M619 D620	P616-M618 PolarHBondContact O-N 2.87Å; P616-M619 PolarHBondContact O-N 3.13Å; P616-D620 WeakPolarHBondContact O-CB 3.26Å; P616-D620 PolarHBondContact O-N 3.01Å
617	A	85.9	Confident	87.3	Confident	26 Å²	26	32.7 Å²	32.7	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-30.5	176.4	0	0	0	0	0	113.1	K584 G586 I589 T615 G624 L625	K584-A617 VanDerWaalsContact O-CB 3.26Å; K584-A617 WeakPolarHBondContact O-CB 3.32Å; G586-A617 WeakPolarHBondContact CA-O 3.47Å; I589-A617 HydrophobicContact CD1-CB 3.84Å; T615-A617 VanDerWaalsContact C-N 3.29Å; T615-A617 PolarHBondContact O-N 3.31Å; A617-G624 WeakPolarHBondContact O-CA 3.48Å; A617-L625 PolarHBondContact O-N 2.9Å
618	M	87.8	Confident	87.2	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-84.3	-41.8	176.8	-61.4	-61.7	-176.5	0	0	112.6	I545 L557 I589 T615 P616 L625 V626	I545-M618 HydrophobicContact CG2-CE 4.2Å; L557-M618 HydrophobicContact CD1-CE 4.13Å; I589-M618 HydrophobicContact CD1-CE 4.14Å; I589-M618 HydrophobicContact CD1-SD 4.24Å; I589-M618 HydrophobicContact CG2-CE 4.38Å; I589-M618 HydrophobicContact CG2-SD 4.32Å; T615-M618 PolarHBondContact O-N 3.46Å; T615-M618 WeakPolarHBondContact OG1-CG 3Å; P616-M618 PolarHBondContact O-N 2.87Å; M618-L625 PolarHBondContact O-N 2.82Å; M618-L625 VanDerWaalsContact O-N 3.14Å; M618-L625 HydrophobicContact SD-CB 4.13Å; M618-L625 HydrophobicContact SD-CD2 3.52Å; M618-L625 VanDerWaalsContact SD-CD2 3.52Å; M618-L625 HydrophobicContact SD-CG 4.47Å; M618-V626 PolarHBondContact O-N 3.23Å
619	M	85	Confident	87.2	Confident	47 Å²	47	34.5 Å²	34.5	23%	0.232	22%	0.218	C	C	.	.	H	α-helix	trans	-116.1	-3.2	-162.8	-71.1	-59	-58.9	0	0	116.6	T615 P616 A621 V626 S644 R646	T615-M619 PolarHBondContact O-N 3.19Å; P616-M619 PolarHBondContact O-N 3.13Å; M619-A621 PolarHBondContact O-N 3.47Å; M619-V626 HydrophobicContact SD-CB 4.1Å; M619-V626 HydrophobicContact SD-CG1 4.43Å; M619-V626 HydrophobicContact SD-CG2 3.73Å; M619-S644 WeakPolarHBondContact CE-OG 3.38Å; M619-S644 PolarHBondContact SD-OG 3.47Å; M619-S644 VanDerWaalsContact SD-OG 3.37Å; M619-R646 HydrophobicContact CE-CG 3.89Å; M619-R646 HydrophobicContact CG-CG 3.85Å; M619-R646 HydrophobicContact SD-CG 3.89Å
620	D	84.8	Confident	87.1	Confident	55 Å²	55	39.1 Å²	39.1	29%	0.294	24%	0.235	S	C	.	.			trans	-55.9	134.3	-179.5	172.5	60.3	0	0	0	112.2	P616 N622 S623 G624 T627	P616-D620 WeakPolarHBondContact O-CB 3.26Å; P616-D620 PolarHBondContact O-N 3.01Å; D620-N622 PolarHBondContact O-N 3.4Å; D620-N622 VanDerWaalsContact O-N 3.15Å; D620-N622 PolarHBondContact OD2-N 2.71Å; D620-N622 VanDerWaalsContact OD2-N 3.13Å; D620-S623 WeakPolarHBondContact OD2-CA 3.4Å; D620-S623 WeakPolarHBondContact OD2-CB 3.43Å; D620-S623 PolarHBondContact OD2-N 3.28Å; D620-S623 PolarHBondContact OD2-OG 3.02Å; D620-G624 WeakPolarHBondContact O-CA 3.38Å; D620-G624 PolarHBondContact O-N 3.43Å; D620-T627 PolarHBondContact O-OG1 3.44Å
621	A	84.4	Confident	87.1	Confident	78 Å²	78	42.2 Å²	42.2	65%	0.645	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-20	-170	0	0	0	0	0	113.7	M619 T627	M619-A621 PolarHBondContact O-N 3.47Å; A621-T627 VanDerWaalsContact O-CG2 3.27Å; A621-T627 WeakPolarHBondContact O-CG2 3.47Å
622	N	85.5	Confident	87.2	Confident	143 Å²	143	46 Å²	46	77%	0.765	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-33.6	-177.3	-59.5	-51.3	0	0	0	112.9	D620	D620-N622 PolarHBondContact O-N 3.4Å; D620-N622 VanDerWaalsContact O-N 3.15Å; D620-N622 PolarHBondContact OD2-N 2.71Å; D620-N622 VanDerWaalsContact OD2-N 3.13Å
623	S	88.3	Confident	87.3	Confident	59 Å²	59	46.1 Å²	46.1	41%	0.413	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-10.3	-165.2	71.3	0	0	0	0	115.2	G586 D620 K628	G586-S623 CarbonylContact C-O 3.57Å; D620-S623 WeakPolarHBondContact OD2-CA 3.4Å; D620-S623 WeakPolarHBondContact OD2-CB 3.43Å; D620-S623 PolarHBondContact OD2-N 3.28Å; D620-S623 PolarHBondContact OD2-OG 3.02Å; S623-K628 WeakPolarHBondContact O-CE 3.24Å
624	G	90.7	Very high	88	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-66.5	157.9	-176.8	0	0	0	0	0	114.1	A617 D620 V626 T627 K628	A617-G624 WeakPolarHBondContact O-CA 3.48Å; D620-G624 WeakPolarHBondContact O-CA 3.38Å; D620-G624 PolarHBondContact O-N 3.43Å; G624-V626 VanDerWaalsContact C-N 3.34Å; G624-V626 PolarHBondContact O-N 3Å; G624-T627 WeakPolarHBondContact O-CB 3.42Å; G624-T627 PolarHBondContact O-N 3.2Å; G624-K628 PolarHBondContact O-N 3.12Å; G624-K628 VanDerWaalsContact O-N 3.1Å
625	L	92.3	Very high	88.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-49.1	-51.5	177	174.3	63.7	0	0	0	112.5	I545 I589 F590 V593 A617 M618 T627 K628 L629	I545-L625 HydrophobicContact CB-CD2 4.43Å; I545-L625 HydrophobicContact CD1-CD2 3.8Å; I545-L625 HydrophobicContact CG2-CD2 4.01Å; I589-L625 HydrophobicContact CG2-CB 4.5Å; I589-L625 HydrophobicContact CG2-CD1 4.06Å; I589-L625 HydrophobicContact CG2-CD2 3.8Å; I589-L625 HydrophobicContact CG2-CG 4.33Å; F590-L625 VanDerWaalsContact CA-CD1 3.48Å; F590-L625 HydrophobicContact CB-CD1 3.83Å; F590-L625 HydrophobicContact CD2-CD1 4.42Å; V593-L625 HydrophobicContact CB-CD1 4.38Å; V593-L625 HydrophobicContact CG2-CD1 4.12Å; A617-L625 PolarHBondContact O-N 2.9Å; M618-L625 PolarHBondContact O-N 2.82Å; M618-L625 VanDerWaalsContact O-N 3.14Å; M618-L625 HydrophobicContact SD-CB 4.13Å; M618-L625 HydrophobicContact SD-CD2 3.52Å; M618-L625 VanDerWaalsContact SD-CD2 3.52Å; M618-L625 HydrophobicContact SD-CG 4.47Å; L625-T627 VanDerWaalsContact C-N 3.32Å; L625-T627 PolarHBondContact O-N 3.26Å; L625-K628 PolarHBondContact O-N 3.01Å; L625-L629 HydrophobicContact CD1-CD1 3.79Å; L625-L629 HydrophobicContact CD1-CG 3.94Å; L625-L629 HydrophobicContact CD2-CD1 4.3Å; L625-L629 HydrophobicContact CG-CD1 3.75Å; L625-L629 HydrophobicContact CG-CG 4.27Å; L625-L629 WeakPolarHBondContact O-CG 3.4Å; L625-L629 PolarHBondContact O-N 2.8Å
626	V	91.2	Very high	88.9	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-39.2	-175.8	169.7	0	0	0	0	111.4	V610 M618 M619 G624 K628 L629 R630	V610-V626 HydrophobicContact CB-CG2 4.32Å; V610-V626 HydrophobicContact CG1-CG2 4.12Å; M618-V626 PolarHBondContact O-N 3.23Å; M619-V626 HydrophobicContact SD-CB 4.1Å; M619-V626 HydrophobicContact SD-CG1 4.43Å; M619-V626 HydrophobicContact SD-CG2 3.73Å; G624-V626 VanDerWaalsContact C-N 3.34Å; G624-V626 PolarHBondContact O-N 3Å; V626-K628 VanDerWaalsContact C-N 3.34Å; V626-K628 PolarHBondContact O-N 3.03Å; V626-L629 PolarHBondContact O-N 2.94Å; V626-R630 WeakPolarHBondContact O-CB 3.41Å; V626-R630 PolarHBondContact O-N 3.42Å
627	T	91.6	Very high	89	Confident	37 Å²	37	46.5 Å²	46.5	23%	0.227	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-44.8	174.9	-58.8	0	0	0	0	111	D620 A621 G624 L625 R630 A631	D620-T627 PolarHBondContact O-OG1 3.44Å; A621-T627 VanDerWaalsContact O-CG2 3.27Å; A621-T627 WeakPolarHBondContact O-CG2 3.47Å; G624-T627 WeakPolarHBondContact O-CB 3.42Å; G624-T627 PolarHBondContact O-N 3.2Å; L625-T627 VanDerWaalsContact C-N 3.32Å; L625-T627 PolarHBondContact O-N 3.26Å; T627-R630 PolarHBondContact O-N 2.86Å; T627-A631 PolarHBondContact O-N 3.12Å
628	K	93.5	Very high	88.6	Confident	53 Å²	53	55.6 Å²	55.6	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-70.1	-40.1	177.9	-68.1	171.3	-179.9	-77.3	0	112.7	N587 F590 S623 G624 L625 V626 R630 A631 R632	N587-K628 HydrophobicContact CB-CD 4.29Å; N587-K628 WeakPolarHBondContact OD1-CE 3.24Å; N587-K628 PolarHBondContact OD1-NZ 2.83Å; F590-K628 HydrophobicContact CB-CB 4.05Å; F590-K628 HydrophobicContact CB-CD 3.89Å; F590-K628 HydrophobicContact CD1-CB 4.25Å; F590-K628 HydrophobicContact CD1-CD 4.4Å; F590-K628 HydrophobicContact CD2-CB 3.47Å; F590-K628 VanDerWaalsContact CD2-CB 3.47Å; F590-K628 HydrophobicContact CE2-CB 3.94Å; F590-K628 HydrophobicContact CG-CB 3.64Å; F590-K628 HydrophobicContact CG-CD 4.12Å; F590-K628 HydrophobicContact CG-CG 4.48Å; S623-K628 WeakPolarHBondContact O-CE 3.24Å; G624-K628 PolarHBondContact O-N 3.12Å; G624-K628 VanDerWaalsContact O-N 3.1Å; L625-K628 PolarHBondContact O-N 3.01Å; V626-K628 VanDerWaalsContact C-N 3.34Å; V626-K628 PolarHBondContact O-N 3.03Å; K628-R630 VanDerWaalsContact C-N 3.34Å; K628-R630 PolarHBondContact O-N 2.87Å; K628-A631 PolarHBondContact O-N 3.08Å; K628-R632 WeakPolarHBondContact O-CB 3.36Å; K628-R632 PolarHBondContact O-N 3.22Å
629	L	93.2	Very high	88	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-38.6	173.3	-70.8	173.4	0	0	0	111.8	I543 I545 F590 V593 W604 V610 L625 V626 R632 A633 L642	I543-L629 HydrophobicContact CD1-CD1 4.35Å; I545-L629 HydrophobicContact CD1-CD1 4.43Å; F590-L629 HydrophobicContact CD2-CD2 3.89Å; F590-L629 HydrophobicContact CD2-CG 4.11Å; F590-L629 HydrophobicContact CE2-CD2 3.96Å; F590-L629 HydrophobicContact CE2-CG 4.45Å; V593-L629 HydrophobicContact CG1-CD2 4.08Å; W604-L629 HydrophobicContact CH2-CD2 3.86Å; W604-L629 HydrophobicContact CZ3-CD2 3.88Å; V610-L629 HydrophobicContact CG1-CD1 4.15Å; V610-L629 HydrophobicContact CG2-CD1 3.71Å; L625-L629 HydrophobicContact CD1-CD1 3.79Å; L625-L629 HydrophobicContact CD1-CG 3.94Å; L625-L629 HydrophobicContact CD2-CD1 4.3Å; L625-L629 HydrophobicContact CG-CD1 3.75Å; L625-L629 HydrophobicContact CG-CG 4.27Å; L625-L629 WeakPolarHBondContact O-CG 3.4Å; L625-L629 PolarHBondContact O-N 2.8Å; V626-L629 PolarHBondContact O-N 2.94Å; L629-R632 PolarHBondContact O-N 2.83Å; L629-A633 WeakPolarHBondContact O-CB 3.47Å; L629-A633 PolarHBondContact O-N 2.91Å; L629-L642 VanDerWaalsContact C-CD2 3.48Å; L629-L642 HydrophobicContact CB-CD2 3.73Å
630	R	91.8	Very high	87.7	Confident	97 Å²	97	58.5 Å²	58.5	37%	0.366	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-46.1	176.5	-175.3	174.9	-63.9	116.3	3.8	111.7	V626 T627 K628 R632 A633 A634 L642	V626-R630 WeakPolarHBondContact O-CB 3.41Å; V626-R630 PolarHBondContact O-N 3.42Å; T627-R630 PolarHBondContact O-N 2.86Å; K628-R630 VanDerWaalsContact C-N 3.34Å; K628-R630 PolarHBondContact O-N 2.87Å; R630-R632 VanDerWaalsContact C-N 3.26Å; R630-R632 PolarHBondContact O-N 3.13Å; R630-A633 PolarHBondContact O-N 2.65Å; R630-A634 WeakPolarHBondContact O-CB 3.49Å; R630-A634 PolarHBondContact O-N 3.16Å; R630-L642 HydrophobicContact CB-CB 4.29Å; R630-L642 HydrophobicContact CB-CD2 4.14Å; R630-L642 HydrophobicContact CG-CB 4.22Å; R630-L642 PolarHBondContact NE-O 3.07Å; R630-L642 VanDerWaalsContact NE-O 3.1Å; R630-L642 PolarHBondContact NH2-O 3.32Å
631	A	91.8	Very high	87.7	Confident	64 Å²	64	58.9 Å²	58.9	53%	0.529	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-39.3	172.7	0	0	0	0	0	111.7	T627 K628 S635	T627-A631 PolarHBondContact O-N 3.12Å; K628-A631 PolarHBondContact O-N 3.08Å; A631-S635 WeakPolarHBondContact O-CB 3.49Å; A631-S635 PolarHBondContact O-N 3.42Å
632	R	91.6	Very high	88	Confident	80 Å²	80	55.3 Å²	55.3	30%	0.302	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-47.3	177.6	-169.4	53.8	165.8	136.1	-5.3	112.5	F590 E594 W604 K628 L629 R630 A634 S635 C636	F590-R632 HydrophobicContact CE2-CB 3.97Å; F590-R632 HydrophobicContact CE2-CG 4.35Å; F590-R632 HydrophobicContact CZ-CB 4.06Å; F590-R632 HydrophobicContact CZ-CG 4.17Å; E594-R632 IonicContact OE1-CZ 2.74Å; E594-R632 VanDerWaalsContact OE1-CZ 3.27Å; E594-R632 IonicContact OE1-NE 3.49Å; E594-R632 PolarHBondContact OE1-NE 3.26Å; E594-R632 IonicContact OE1-NH2 2.69Å; E594-R632 PolarHBondContact OE1-NH2 2.93Å; W604-R632 HydrophobicContact CD2-CG 4.36Å; W604-R632 HydrophobicContact CE3-CB 4.5Å; W604-R632 HydrophobicContact CE3-CG 4.01Å; W604-R632 HydrophobicContact CH2-CB 4.37Å; W604-R632 HydrophobicContact CH2-CG 3.72Å; W604-R632 HydrophobicContact CZ2-CG 4.09Å; W604-R632 HydrophobicContact CZ3-CB 4.02Å; W604-R632 HydrophobicContact CZ3-CG 3.68Å; K628-R632 WeakPolarHBondContact O-CB 3.36Å; K628-R632 PolarHBondContact O-N 3.22Å; L629-R632 PolarHBondContact O-N 2.83Å; R630-R632 VanDerWaalsContact C-N 3.26Å; R630-R632 PolarHBondContact O-N 3.13Å; R632-A634 PolarHBondContact O-N 2.89Å; R632-S635 PolarHBondContact NH1-OG 3.29Å; R632-S635 WeakPolarHBondContact O-CB 3.25Å; R632-S635 PolarHBondContact O-N 3.47Å; R632-S635 VanDerWaalsContact O-N 3.17Å; R632-S635 PolarHBondContact O-OG 2.87Å; R632-C636 PolarHBondContact O-N 2.81Å; R632-C636 PolarHBondContact O-SG 3.19Å; R632-C636 VanDerWaalsContact O-SG 3.37Å
633	A	90.5	Very high	88.2	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-45.9	176	0	0	0	0	0	111.7	L629 R630 S635 C636 C637 A640 L642	L629-A633 WeakPolarHBondContact O-CB 3.47Å; L629-A633 PolarHBondContact O-N 2.91Å; R630-A633 PolarHBondContact O-N 2.65Å; A633-S635 VanDerWaalsContact C-N 3.3Å; A633-S635 PolarHBondContact O-N 3.42Å; A633-C636 PolarHBondContact O-N 2.97Å; A633-C637 PolarHBondContact O-N 3.24Å; A633-A640 HydrophobicContact CB-CB 4.02Å; A633-L642 HydrophobicContact CB-CB 4.48Å
634	A	89.9	Confident	88.1	Confident	56 Å²	56	47.2 Å²	47.2	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-31.7	175.7	0	0	0	0	0	113.4	R630 R632 C636	R630-A634 WeakPolarHBondContact O-CB 3.49Å; R630-A634 PolarHBondContact O-N 3.16Å; R632-A634 PolarHBondContact O-N 2.89Å; A634-C636 VanDerWaalsContact C-N 3.31Å
635	S	90	Very high	87.7	Confident	80 Å²	80	47.2 Å²	47.2	56%	0.559	28%	0.281	S	S	*	.	H	α-helix	trans	-68.9	-27.6	173.3	79.2	0	0	0	0	113.4	A631 R632 A633	A631-S635 WeakPolarHBondContact O-CB 3.49Å; A631-S635 PolarHBondContact O-N 3.42Å; R632-S635 PolarHBondContact NH1-OG 3.29Å; R632-S635 WeakPolarHBondContact O-CB 3.25Å; R632-S635 PolarHBondContact O-N 3.47Å; R632-S635 VanDerWaalsContact O-N 3.17Å; R632-S635 PolarHBondContact O-OG 2.87Å; A633-S635 VanDerWaalsContact C-N 3.3Å; A633-S635 PolarHBondContact O-N 3.42Å
636	C	85.8	Confident	87	Confident	57 Å²	57	48.4 Å²	48.4	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-88.1	-37.1	179.7	-64.3	0	0	0	0	112.1	W604 R632 A633 A634	W604-C636 HydrophobicContact CB-CB 4Å; R632-C636 PolarHBondContact O-N 2.81Å; R632-C636 PolarHBondContact O-SG 3.19Å; R632-C636 VanDerWaalsContact O-SG 3.37Å; A633-C636 PolarHBondContact O-N 2.97Å; A634-C636 VanDerWaalsContact C-N 3.31Å
637	C	83.2	Confident	85.9	Confident	38 Å²	38	48.4 Å²	48.4	26%	0.257	29%	0.285	S	S	.	.	S	Bend	trans	-141	125.1	-173	-61.2	0	0	0	0	112.2	S605 A633 G639 A640	S605-C637 VanDerWaalsContact CA-SG 3.53Å; S605-C637 WeakPolarHBondContact CB-SG 3.33Å; A633-C637 PolarHBondContact O-N 3.24Å; C637-G639 PolarHBondContact O-N 3.42Å; C637-A640 HydrophobicContact CB-CB 4.23Å; C637-A640 VanDerWaalsContact O-CB 3.3Å; C637-A640 WeakPolarHBondContact O-CB 3.48Å; C637-A640 PolarHBondContact O-N 2.96Å
638	K	77.8	Confident	84.6	Confident	217 Å²	217	46.7 Å²	46.7	94%	0.943	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	129.7	171.9	-65.9	-175.3	179	-178.1	0	109.3
639	G	75.1	Confident	83.1	Confident	78 Å²	78	44.3 Å²	44.3	80%	0.804	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	13.5	-176.9	0	0	0	0	0	115.3	C637 D641	C637-G639 PolarHBondContact O-N 3.42Å; G639-D641 PolarHBondContact O-N 3.17Å
640	A	79.2	Confident	81.6	Confident	33 Å²	33	46.1 Å²	46.1	27%	0.273	27%	0.273	S	S	.	.			trans	-67.6	87.8	176.3	0	0	0	0	0	113.1	A633 C637 L642	A633-A640 HydrophobicContact CB-CB 4.02Å; C637-A640 HydrophobicContact CB-CB 4.23Å; C637-A640 VanDerWaalsContact O-CB 3.3Å; C637-A640 WeakPolarHBondContact O-CB 3.48Å; C637-A640 PolarHBondContact O-N 2.96Å; A640-L642 PolarHBondContact O-N 3.17Å; A640-L642 VanDerWaalsContact O-N 3.1Å
641	D	85	Confident	80.1	Confident	63 Å²	63	42 Å²	42	34%	0.337	26%	0.259	S	S	.	.			trans	-74.8	84.4	171.2	177.8	20.7	0	0	0	110.8	G639 K643 R856	G639-D641 PolarHBondContact O-N 3.17Å; D641-K643 PolarHBondContact O-N 2.89Å; D641-K643 WeakPolarHBondContact OD2-CE 3.23Å; D641-R856 IonicContact OD2-NH2 3.95Å; D641-R856 PolarHBondContact OD2-NH2 2.96Å
642	L	90.3	Very high	78.4	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	25%	0.246	C	C	.	.			trans	-81.8	107.7	177.1	-174.9	64.6	0	0	0	111.5	L607 V610 L629 R630 A633 A640	L607-L642 HydrophobicContact CD1-CD1 4.48Å; L607-L642 HydrophobicContact CD2-CD1 3.64Å; L607-L642 HydrophobicContact CD2-CD2 4.22Å; L607-L642 HydrophobicContact CG-CD1 3.59Å; V610-L642 HydrophobicContact CG2-CD1 4.21Å; V610-L642 HydrophobicContact CG2-CD2 4.08Å; V610-L642 HydrophobicContact CG2-CG 4.4Å; L629-L642 VanDerWaalsContact C-CD2 3.48Å; L629-L642 HydrophobicContact CB-CD2 3.73Å; R630-L642 HydrophobicContact CB-CB 4.29Å; R630-L642 HydrophobicContact CB-CD2 4.14Å; R630-L642 HydrophobicContact CG-CB 4.22Å; R630-L642 PolarHBondContact NE-O 3.07Å; R630-L642 VanDerWaalsContact NE-O 3.1Å; R630-L642 PolarHBondContact NH2-O 3.32Å; A633-L642 HydrophobicContact CB-CB 4.48Å; A640-L642 PolarHBondContact O-N 3.17Å; A640-L642 VanDerWaalsContact O-N 3.1Å
643	K	89.1	Confident	77.1	Confident	17 Å²	17	41.7 Å²	41.7	7%	0.074	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	151	179.7	-63	-179.8	176.2	-171.3	0	111.4	V608 S609 V610 D641 C837 E840 M905	V608-K643 PolarHBondContact O-N 3.4Å; S609-K643 CarbonylContact C-O 3.32Å; S609-K643 WeakPolarHBondContact CA-O 3.45Å; S609-K643 WeakPolarHBondContact CB-O 3.48Å; V610-K643 PolarHBondContact N-O 2.85Å; D641-K643 PolarHBondContact O-N 2.89Å; D641-K643 WeakPolarHBondContact OD2-CE 3.23Å; K643-C837 PolarHBondContact NZ-SG 3.06Å; K643-E840 IonicContact NZ-OE1 2.87Å; K643-E840 PolarHBondContact NZ-OE1 3.11Å; K643-E840 IonicContact NZ-OE2 3.23Å; K643-E840 PolarHBondContact NZ-OE2 3.3Å; K643-M905 HydrophobicContact CB-CE 4.26Å; K643-M905 HydrophobicContact CD-CE 4.32Å; K643-M905 HydrophobicContact CD-SD 4.4Å
644	S	87.2	Confident	76	Confident	14 Å²	14	41.6 Å²	41.6	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.4	179.4	-171.8	0	0	0	0	109.7	M619	M619-S644 WeakPolarHBondContact CE-OG 3.38Å; M619-S644 PolarHBondContact SD-OG 3.47Å; M619-S644 VanDerWaalsContact SD-OG 3.37Å
645	V	81.3	Confident	74.7	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	104.4	174.6	173.5	0	0	0	0	107.7	V610 A611 S612 F834 M905 S907	V610-V645 PolarHBondContact O-N 3.3Å; A611-V645 VanDerWaalsContact CA-O 3.3Å; A611-V645 WeakPolarHBondContact CA-O 3.34Å; A611-V645 HydrophobicContact CB-CB 4.32Å; S612-V645 PolarHBondContact N-O 3.21Å; V645-F834 HydrophobicContact CB-CZ 4.24Å; V645-F834 HydrophobicContact CG1-CE1 4.5Å; V645-F834 HydrophobicContact CG1-CE2 4.23Å; V645-F834 HydrophobicContact CG1-CZ 3.61Å; V645-F834 HydrophobicContact CG2-CE1 3.85Å; V645-F834 HydrophobicContact CG2-CZ 3.76Å; V645-M905 HydrophobicContact CG2-CE 4.06Å; V645-S907 VanDerWaalsContact CG1-O 3.26Å; V645-S907 WeakPolarHBondContact CG1-O 3.38Å
646	R	77.5	Confident	73.3	Confident	26 Å²	26	36.9 Å²	36.9	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.6	165.9	-76.7	177.5	-78.6	143.6	-9.3	109.6	S612 M619 I648 R829 S832 D833	S612-R646 CarbonylContact O-C 3.51Å; S612-R646 WeakPolarHBondContact O-CA 3.4Å; M619-R646 HydrophobicContact CE-CG 3.89Å; M619-R646 HydrophobicContact CG-CG 3.85Å; M619-R646 HydrophobicContact SD-CG 3.89Å; R646-I648 WeakPolarHBondContact O-CG1 3.35Å; R646-I648 PolarHBondContact O-N 3.48Å; R646-R829 VanDerWaalsContact CZ-O 3.28Å; R646-R829 PolarHBondContact NH1-O 2.87Å; R646-R829 PolarHBondContact NH2-O 3.26Å; R646-S832 PolarHBondContact NH2-OG 2.77Å; R646-D833 WeakPolarHBondContact CB-OD2 3.44Å; R646-D833 VanDerWaalsContact CG-OD2 3.27Å; R646-D833 WeakPolarHBondContact CG-OD2 3.39Å; R646-D833 IonicContact CZ-OD1 3.25Å; R646-D833 IonicContact CZ-OD2 2.93Å; R646-D833 PolarHBondContact N-OD2 2.86Å; R646-D833 VanDerWaalsContact NE-CG 3.32Å; R646-D833 IonicContact NE-OD1 2.68Å; R646-D833 PolarHBondContact NE-OD1 2.79Å; R646-D833 IonicContact NE-OD2 3.96Å; R646-D833 PolarHBondContact NE-OD2 2.66Å; R646-D833 VanDerWaalsContact NH2-CG 3.25Å; R646-D833 IonicContact NH2-OD1 3.13Å; R646-D833 PolarHBondContact NH2-OD1 2.95Å; R646-D833 IonicContact NH2-OD2 2.64Å
647	C	69	Low	72.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	22%	0.215	C	C	.	.			trans	-64.4	125.7	178.9	-166.6	0	0	0	0	110	S612 R830 T909	S612-C647 PolarHBondContact O-N 2.8Å; C647-R830 PolarHBondContact O-NH1 3.37Å; C647-R830 VanDerWaalsContact O-NH1 3.13Å; C647-T909 HydrophobicContact CB-CG2 4.28Å; C647-T909 PolarHBondContact SG-OG1 2.99Å
648	I	63.7	Low	72.3	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.212	C	C	.	.			trans	-95.7	-19.1	-179.7	-58.6	-177.3	0	0	0	110.4	R646 H650 L764 I778 F827 R830 F834	R646-I648 WeakPolarHBondContact O-CG1 3.35Å; R646-I648 PolarHBondContact O-N 3.48Å; I648-H650 PolarHBondContact O-N 3.41Å; I648-L764 HydrophobicContact CG2-CD1 4.44Å; I648-I778 HydrophobicContact CB-CD1 4.34Å; I648-I778 HydrophobicContact CD1-CD1 3.42Å; I648-I778 VanDerWaalsContact CD1-CD1 3.42Å; I648-I778 HydrophobicContact CD1-CG1 4.36Å; I648-I778 HydrophobicContact CG1-CD1 4.38Å; I648-I778 HydrophobicContact CG2-CD1 4.19Å; I648-I778 HydrophobicContact CG2-CG1 4.18Å; I648-F827 HydrophobicContact CG2-CD1 4.18Å; I648-F827 HydrophobicContact CG2-CE1 3.77Å; I648-R830 HydrophobicContact CD1-CB 4.01Å; I648-R830 HydrophobicContact CG1-CB 4.08Å; I648-F834 HydrophobicContact CD1-CE2 3.98Å
649	I	61.9	Low	72.5	Confident	3 Å²	3	29 Å²	29	2%	0.015	17%	0.168	C	C	.	.			trans	-81.8	45.2	-176.2	-39.6	-170.4	0	0	0	112.1	D761 L764 Q765 S908 H910	I649-D761 WeakPolarHBondContact CG2-OD1 3.22Å; I649-L764 HydrophobicContact CD1-CB 3.51Å; I649-L764 WeakPolarHBondContact CD1-O 3.3Å; I649-L764 HydrophobicContact CG1-CB 3.79Å; I649-L764 HydrophobicContact CG1-CD1 4.01Å; I649-Q765 HydrophobicContact CG2-CG 3.84Å; I649-S908 VanDerWaalsContact CD1-OG 3.29Å; I649-S908 WeakPolarHBondContact CD1-OG 3.49Å; I649-H910 HydrophobicContact CD1-CB 4.1Å
650	H	62.8	Low	72.9	Confident	37 Å²	37	33 Å²	33	17%	0.171	16%	0.158	C	C	.	.			trans	-124.2	64.3	163.8	-58.7	-38.8	0	0	0	109.7	T613 I648 E652 W653 L654 E913	T613-H650 WeakPolarHBondContact CG2-NE2 3.48Å; I648-H650 PolarHBondContact O-N 3.41Å; H650-E652 PolarHBondContact O-N 2.91Å; H650-W653 HydrophobicContact CB-CB 3.96Å; H650-W653 WeakPolarHBondContact O-CB 3.2Å; H650-W653 PolarHBondContact O-N 2.87Å; H650-L654 PolarHBondContact O-N 2.89Å; H650-L654 VanDerWaalsContact O-N 3.1Å; H650-E913 IonicContact CE1-OE1 2.78Å; H650-E913 PolarHBondContact CE1-OE1 2.97Å; H650-E913 IonicContact ND1-OE1 2.71Å; H650-E913 PolarHBondContact ND1-OE1 3.02Å
651	P	58.7	Low	73.3	Confident	11 Å²	11	31.8 Å²	31.8	7%	0.071	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-30.3	176.9	25.3	-33.8	0	0	0	112.4	W653 L654 C655 L757 D761	P651-W653 VanDerWaalsContact C-N 3.33Å; P651-W653 PolarHBondContact O-N 2.8Å; P651-L654 PolarHBondContact O-N 3.36Å; P651-C655 WeakPolarHBondContact O-CB 3.42Å; P651-C655 PolarHBondContact O-N 3.21Å; P651-C655 PolarHBondContact O-SG 2.95Å; P651-C655 VanDerWaalsContact O-SG 3.38Å; P651-L757 HydrophobicContact CB-CB 4.04Å; P651-D761 HydrophobicContact CG-CB 3.97Å
652	E	56.7	Low	73.2	Confident	56 Å²	56	30.3 Å²	30.3	26%	0.262	15%	0.147	S	C	.	.	H	α-helix	trans	-56.5	-47.1	173.9	-42.2	-151.9	122.2	0	0	111.8	H650 A656 G709	H650-E652 PolarHBondContact O-N 2.91Å; E652-A656 WeakPolarHBondContact O-CB 3.47Å; E652-A656 PolarHBondContact O-N 3.46Å; E652-G709 VanDerWaalsContact OE1-CA 3.24Å; E652-G709 WeakPolarHBondContact OE1-CA 3.32Å; E652-G709 PolarHBondContact OE1-N 2.69Å; E652-G709 VanDerWaalsContact OE1-N 3.12Å
653	W	65.2	Low	73.2	Confident	81 Å²	81	34.5 Å²	34.5	31%	0.307	17%	0.166	S	C	.	.	H	α-helix	trans	-67.8	-39.8	178.6	-175.7	103.7	0	0	0	111.4	H650 P651 A656 Q657	H650-W653 HydrophobicContact CB-CB 3.96Å; H650-W653 WeakPolarHBondContact O-CB 3.2Å; H650-W653 PolarHBondContact O-N 2.87Å; P651-W653 VanDerWaalsContact C-N 3.33Å; P651-W653 PolarHBondContact O-N 2.8Å; W653-A656 PolarHBondContact O-N 2.67Å; W653-Q657 HydrophobicContact CD2-CG 4.18Å; W653-Q657 VanDerWaalsContact CE2-CD 3.45Å; W653-Q657 HydrophobicContact CE3-CB 4.48Å; W653-Q657 VanDerWaalsContact CZ2-CD 3.44Å; W653-Q657 HydrophobicContact CZ2-CG 4.31Å; W653-Q657 HydrophobicContact CZ3-CB 4.47Å; W653-Q657 WeakPolarHBondContact O-CB 3.08Å; W653-Q657 PolarHBondContact O-N 3.24Å
654	L	65.9	Low	73.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-49.2	175.8	-73.5	172.2	0	0	0	111.1	H650 P651 K658 L823 E826 F827	H650-L654 PolarHBondContact O-N 2.89Å; H650-L654 VanDerWaalsContact O-N 3.1Å; P651-L654 PolarHBondContact O-N 3.36Å; L654-K658 VanDerWaalsContact O-CB 3.24Å; L654-K658 WeakPolarHBondContact O-CB 3.45Å; L654-K658 PolarHBondContact O-N 2.92Å; L654-L823 HydrophobicContact CB-CD1 4.22Å; L654-E826 HydrophobicContact CD2-CB 4.42Å; L654-E826 HydrophobicContact CD2-CG 3.29Å; L654-F827 HydrophobicContact CD1-CE1 4.1Å; L654-F827 HydrophobicContact CD1-CE2 3.87Å; L654-F827 HydrophobicContact CD1-CZ 3.54Å
655	C	63.5	Low	73.3	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.014	16%	0.159	C	C	.	.	I	π-helix	trans	-54.5	-54.7	173.2	-74.1	0	0	0	0	111.3	P651 L659 L708 L757	P651-C655 WeakPolarHBondContact O-CB 3.42Å; P651-C655 PolarHBondContact O-N 3.21Å; P651-C655 PolarHBondContact O-SG 2.95Å; P651-C655 VanDerWaalsContact O-SG 3.38Å; C655-L659 HydrophobicContact CB-CD1 4.18Å; C655-L659 WeakPolarHBondContact O-CB 3.42Å; C655-L659 PolarHBondContact O-N 2.96Å; C655-L708 HydrophobicContact CB-CB 3.79Å; C655-L708 HydrophobicContact CB-CD1 3.9Å; C655-L708 HydrophobicContact CB-CD2 3.91Å; C655-L708 HydrophobicContact CB-CG 4.08Å; C655-L757 WeakPolarHBondContact SG-CD1 3.42Å
656	A	61.2	Low	73.6	Confident	35 Å²	35	37.8 Å²	37.8	29%	0.289	18%	0.183	S	C	.	.	I	π-helix	trans	-62.1	-49.5	-172.8	0	0	0	0	0	112.4	E652 W653 L705 L708	E652-A656 WeakPolarHBondContact O-CB 3.47Å; E652-A656 PolarHBondContact O-N 3.46Å; W653-A656 PolarHBondContact O-N 2.67Å; A656-L705 HydrophobicContact CB-CD2 3.42Å; A656-L705 VanDerWaalsContact CB-CD2 3.42Å; A656-L705 HydrophobicContact CB-CG 4.3Å; A656-L708 HydrophobicContact CB-CD1 3.68Å
657	Q	67.9	Low	74.3	Confident	100 Å²	100	37.6 Å²	37.6	47%	0.467	19%	0.185	S	C	.	.	I	π-helix	trans	-83.8	-25.6	-174.4	-63.3	-150.2	-1	0	0	114.3	W653	W653-Q657 HydrophobicContact CD2-CG 4.18Å; W653-Q657 VanDerWaalsContact CE2-CD 3.45Å; W653-Q657 HydrophobicContact CE3-CB 4.48Å; W653-Q657 VanDerWaalsContact CZ2-CD 3.44Å; W653-Q657 HydrophobicContact CZ2-CG 4.31Å; W653-Q657 HydrophobicContact CZ3-CB 4.47Å; W653-Q657 WeakPolarHBondContact O-CB 3.08Å; W653-Q657 PolarHBondContact O-N 3.24Å
658	K	79.6	Confident	75.2	Confident	46 Å²	46	37.5 Å²	37.5	20%	0.2	19%	0.185	C	C	.	.	I	π-helix	trans	-113.7	-27.5	-170.6	-56.7	-60.6	176.7	-171.3	0	115.6	L654 E822 E826	L654-K658 VanDerWaalsContact O-CB 3.24Å; L654-K658 WeakPolarHBondContact O-CB 3.45Å; L654-K658 PolarHBondContact O-N 2.92Å; K658-E822 HydrophobicContact CB-CG 4.14Å; K658-E822 HydrophobicContact CD-CG 3.85Å; K658-E822 WeakPolarHBondContact CD-OE1 3.2Å; K658-E822 IonicContact NZ-OE1 3.49Å; K658-E826 HydrophobicContact CD-CB 4.35Å; K658-E826 HydrophobicContact CG-CB 4.11Å; K658-E826 HydrophobicContact CG-CG 4.05Å
659	L	82.3	Confident	76.2	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.19	C	C	.	.	I	π-helix	trans	-80.2	-24.6	171.6	-58.9	178.4	0	0	0	111.7	C655 M661 F749 L750 M753 K819 L823	C655-L659 HydrophobicContact CB-CD1 4.18Å; C655-L659 WeakPolarHBondContact O-CB 3.42Å; C655-L659 PolarHBondContact O-N 2.96Å; L659-M661 HydrophobicContact CB-CG 3.94Å; L659-M661 HydrophobicContact CB-SD 4.12Å; L659-M661 WeakPolarHBondContact O-CG 3.39Å; L659-F749 HydrophobicContact CD2-CE1 4.36Å; L659-L750 HydrophobicContact CD1-CD1 3.86Å; L659-M753 HydrophobicContact CD1-CB 4.21Å; L659-K819 HydrophobicContact CD2-CB 4.13Å; L659-K819 WeakPolarHBondContact O-CD 3.36Å; L659-K819 PolarHBondContact O-NZ 3.46Å; L659-L823 HydrophobicContact CD2-CD2 4.3Å
660	R	82.9	Confident	77.4	Confident	162 Å²	162	42.4 Å²	42.4	61%	0.611	21%	0.212	S	C	*	.			trans	49.9	62.2	179.6	-49	-176.5	-162.6	-150.1	-0.7	111.4	K819 E822	R660-K819 PolarHBondContact O-NZ 3.03Å; R660-E822 IonicContact CZ-OE1 2.78Å; R660-E822 IonicContact CZ-OE2 3.9Å; R660-E822 VanDerWaalsContact CZ-OE2 3.31Å; R660-E822 IonicContact NE-OE1 3.77Å; R660-E822 IonicContact NE-OE2 2.77Å; R660-E822 PolarHBondContact NE-OE2 3.4Å; R660-E822 VanDerWaalsContact NH2-CD 3.28Å; R660-E822 IonicContact NH2-OE1 3.48Å; R660-E822 PolarHBondContact NH2-OE1 3Å; R660-E822 IonicContact NH2-OE2 3.21Å; R660-E822 PolarHBondContact NH2-OE2 2.75Å
661	M	86.8	Confident	78.6	Confident	7 Å²	7	40.7 Å²	40.7	3%	0.034	20%	0.204	C	C	.	.			trans	-121.7	38.7	-176.1	-52.7	-168.7	72.3	0	0	111.9	L659 H663 V664 M665 D746 F749 L750 K819	L659-M661 HydrophobicContact CB-CG 3.94Å; L659-M661 HydrophobicContact CB-SD 4.12Å; L659-M661 WeakPolarHBondContact O-CG 3.39Å; M661-H663 VanDerWaalsContact C-N 3.3Å; M661-H663 PolarHBondContact O-N 2.67Å; M661-V664 HydrophobicContact CB-CB 4.47Å; M661-V664 HydrophobicContact CB-CG2 4.43Å; M661-V664 HydrophobicContact CE-CG2 4.16Å; M661-V664 PolarHBondContact O-N 3.28Å; M661-V664 VanDerWaalsContact O-N 3.12Å; M661-M665 PolarHBondContact O-N 3.28Å; M661-D746 HydrophobicContact CE-CB 3.63Å; M661-D746 WeakPolarHBondContact CE-O 3.38Å; M661-F749 HydrophobicContact CE-CD1 4.16Å; M661-F749 HydrophobicContact SD-CD1 3.85Å; M661-F749 HydrophobicContact SD-CE1 4.15Å; M661-L750 HydrophobicContact CB-CD1 4.49Å; M661-L750 HydrophobicContact CB-CD2 4.12Å; M661-L750 HydrophobicContact CE-CB 4.23Å; M661-L750 HydrophobicContact SD-CB 4.08Å; M661-L750 HydrophobicContact SD-CD1 3.97Å; M661-L750 HydrophobicContact SD-CG 4.44Å; M661-K819 HydrophobicContact CE-CD 4.46Å; M661-K819 HydrophobicContact CG-CD 4.29Å; M661-K819 HydrophobicContact SD-CD 3.8Å
662	G	84.4	Confident	79.8	Confident	33 Å²	33	40.2 Å²	40.2	34%	0.34	20%	0.201	S	C	.	.	H	α-helix	trans	-56.1	-44	175.5	0	0	0	0	0	111.7	V664 M665 D666	G662-V664 CarbonylContact O-C 3.58Å; G662-V664 PolarHBondContact O-N 3.17Å; G662-M665 CarbonylContact O-C 3.56Å; G662-M665 PolarHBondContact O-N 2.86Å; G662-D666 VanDerWaalsContact C-OD2 3.3Å; G662-D666 WeakPolarHBondContact O-CB 3.38Å; G662-D666 PolarHBondContact O-N 3.35Å
663	H	90.5	Very high	80.9	Confident	91 Å²	91	39.1 Å²	39.1	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-58.1	-20.3	176.3	67.8	-63.6	0	0	0	115.1	M661 V667 W743 D746	M661-H663 VanDerWaalsContact C-N 3.3Å; M661-H663 PolarHBondContact O-N 2.67Å; H663-V667 WeakPolarHBondContact O-CG2 3.13Å; H663-W743 PolarHBondContact O-NE1 2.87Å; H663-D746 IonicContact CD2-OD2 3.94Å; H663-D746 IonicContact CE1-OD2 2.79Å; H663-D746 PolarHBondContact CE1-OD2 3.45Å; H663-D746 VanDerWaalsContact CE1-OD2 3.28Å; H663-D746 IonicContact NE2-OD2 2.68Å; H663-D746 PolarHBondContact NE2-OD2 2.89Å
664	V	91.5	Very high	81.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-87.3	-53	167.2	-178.9	0	0	0	0	110.4	M661 G662 D666 V667 V668 W743 D746 L747 L750	M661-V664 HydrophobicContact CB-CB 4.47Å; M661-V664 HydrophobicContact CB-CG2 4.43Å; M661-V664 HydrophobicContact CE-CG2 4.16Å; M661-V664 PolarHBondContact O-N 3.28Å; M661-V664 VanDerWaalsContact O-N 3.12Å; G662-V664 CarbonylContact O-C 3.58Å; G662-V664 PolarHBondContact O-N 3.17Å; V664-D666 PolarHBondContact O-N 3.1Å; V664-V667 PolarHBondContact O-N 3.34Å; V664-V668 HydrophobicContact CG1-CG2 4.27Å; V664-V668 WeakPolarHBondContact O-CG2 3.21Å; V664-V668 PolarHBondContact O-N 3.29Å; V664-W743 HydrophobicContact CB-CZ2 4.37Å; V664-W743 HydrophobicContact CG1-CH2 4.43Å; V664-W743 HydrophobicContact CG1-CZ2 3.86Å; V664-D746 HydrophobicContact CG2-CB 3.77Å; V664-L747 HydrophobicContact CG1-CB 3.98Å; V664-L747 HydrophobicContact CG1-CD1 3.74Å; V664-L747 HydrophobicContact CG1-CG 4.45Å; V664-L750 HydrophobicContact CB-CD2 4.1Å; V664-L750 HydrophobicContact CG1-CD2 3.83Å
665	M	86.7	Confident	82.6	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-43.7	-174.6	-72.3	-53.3	-52.1	0	0	113.3	M661 G662 V667 V668 V669 W707 L708 L714 L750	M661-M665 PolarHBondContact O-N 3.28Å; G662-M665 CarbonylContact O-C 3.56Å; G662-M665 PolarHBondContact O-N 2.86Å; M665-V667 VanDerWaalsContact C-N 3.33Å; M665-V667 PolarHBondContact O-N 2.92Å; M665-V668 PolarHBondContact O-N 3.41Å; M665-V669 HydrophobicContact CE-CG2 4.4Å; M665-V669 WeakPolarHBondContact O-CB 3.49Å; M665-V669 WeakPolarHBondContact O-CG2 3.44Å; M665-V669 PolarHBondContact O-N 3.34Å; M665-W707 HydrophobicContact CE-CB 3.47Å; M665-W707 VanDerWaalsContact CE-CB 3.47Å; M665-W707 HydrophobicContact CE-CG 4.32Å; M665-L708 HydrophobicContact CE-CD2 4.16Å; M665-L708 HydrophobicContact CE-CG 4.08Å; M665-L708 HydrophobicContact CG-CD1 4.21Å; M665-L708 HydrophobicContact CG-CD2 3.86Å; M665-L708 HydrophobicContact CG-CG 4.15Å; M665-L708 HydrophobicContact SD-CD2 3.41Å; M665-L708 WeakPolarHBondContact SD-CD2 3.2Å; M665-L708 HydrophobicContact SD-CG 3.94Å; M665-L714 HydrophobicContact CE-CD2 4.3Å; M665-L714 HydrophobicContact SD-CD1 4.08Å; M665-L714 HydrophobicContact SD-CD2 3.77Å; M665-L714 HydrophobicContact SD-CG 4.47Å; M665-L750 HydrophobicContact CG-CD2 4.12Å; M665-L750 HydrophobicContact SD-CD2 3.7Å
666	D	86.7	Confident	83.1	Confident	94 Å²	94	38.2 Å²	38.2	50%	0.503	20%	0.198	S	C	.	.	H	α-helix	trans	-61.8	-44.7	-179.4	-58	-30	0	0	0	109.7	G662 V664 V669 D670	G662-D666 VanDerWaalsContact C-OD2 3.3Å; G662-D666 WeakPolarHBondContact O-CB 3.38Å; G662-D666 PolarHBondContact O-N 3.35Å; V664-D666 PolarHBondContact O-N 3.1Å; D666-V669 PolarHBondContact O-N 2.96Å; D666-D670 VanDerWaalsContact O-CB 3.31Å; D666-D670 WeakPolarHBondContact O-CB 3.39Å; D666-D670 PolarHBondContact O-N 3.25Å
667	V	92	Very high	83.8	Confident	22 Å²	22	40.4 Å²	40.4	13%	0.133	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-40.8	176.1	172.7	0	0	0	0	112.3	H663 V664 M665 S671 V735 Q737 L738 W743	H663-V667 WeakPolarHBondContact O-CG2 3.13Å; V664-V667 PolarHBondContact O-N 3.34Å; M665-V667 VanDerWaalsContact C-N 3.33Å; M665-V667 PolarHBondContact O-N 2.92Å; V667-S671 WeakPolarHBondContact O-CB 3.44Å; V667-S671 PolarHBondContact O-N 3.34Å; V667-S671 PolarHBondContact O-OG 2.8Å; V667-V735 HydrophobicContact CG1-CG1 3.84Å; V667-Q737 HydrophobicContact CG1-CB 4.07Å; V667-Q737 HydrophobicContact CG2-CB 4.46Å; V667-Q737 HydrophobicContact CG2-CG 4.11Å; V667-L738 HydrophobicContact CG1-CD2 4.42Å; V667-W743 HydrophobicContact CB-CZ2 3.68Å; V667-W743 HydrophobicContact CG1-CH2 4.05Å; V667-W743 HydrophobicContact CG1-CZ2 3.48Å; V667-W743 VanDerWaalsContact CG1-CZ2 3.48Å
668	V	89.1	Confident	83.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-49.5	174.4	169.9	0	0	0	0	110.5	V664 M665 S671 V672 L714 F717 W743 L747	V664-V668 HydrophobicContact CG1-CG2 4.27Å; V664-V668 WeakPolarHBondContact O-CG2 3.21Å; V664-V668 PolarHBondContact O-N 3.29Å; M665-V668 PolarHBondContact O-N 3.41Å; V668-S671 PolarHBondContact O-N 3.08Å; V668-V672 HydrophobicContact CG1-CG2 4.35Å; V668-V672 WeakPolarHBondContact O-CB 3.33Å; V668-V672 WeakPolarHBondContact O-CG2 3.43Å; V668-V672 PolarHBondContact O-N 2.87Å; V668-L714 HydrophobicContact CB-CD2 4.46Å; V668-L714 HydrophobicContact CG1-CD2 4.02Å; V668-L714 HydrophobicContact CG2-CD2 4.11Å; V668-F717 HydrophobicContact CB-CE2 4.5Å; V668-F717 HydrophobicContact CG1-CD2 3.9Å; V668-F717 HydrophobicContact CG1-CE2 4.24Å; V668-F717 HydrophobicContact CG1-CG 4.08Å; V668-F717 HydrophobicContact CG2-CD1 3.9Å; V668-F717 HydrophobicContact CG2-CE1 3.92Å; V668-F717 HydrophobicContact CG2-CG 4.23Å; V668-F717 HydrophobicContact CG2-CZ 4.24Å; V668-W743 HydrophobicContact CG2-CH2 4.06Å; V668-W743 HydrophobicContact CG2-CZ2 4.21Å; V668-L747 HydrophobicContact CG2-CD1 4.13Å
669	V	83.4	Confident	82.6	Confident	21 Å²	21	39.9 Å²	39.9	13%	0.127	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-46.5	-179.6	171.8	0	0	0	0	110.7	M665 D666 S671 V672 N673 W707	M665-V669 HydrophobicContact CE-CG2 4.4Å; M665-V669 WeakPolarHBondContact O-CB 3.49Å; M665-V669 WeakPolarHBondContact O-CG2 3.44Å; M665-V669 PolarHBondContact O-N 3.34Å; D666-V669 PolarHBondContact O-N 2.96Å; V669-S671 VanDerWaalsContact C-N 3.31Å; V669-S671 PolarHBondContact O-N 3.29Å; V669-V672 PolarHBondContact O-N 3.05Å; V669-N673 WeakPolarHBondContact CG1-ND2 3.35Å; V669-N673 WeakPolarHBondContact O-CB 3.38Å; V669-N673 PolarHBondContact O-N 2.81Å; V669-N673 PolarHBondContact O-ND2 3.45Å; V669-W707 HydrophobicContact CB-CZ2 4.41Å; V669-W707 HydrophobicContact CG1-CZ2 4.08Å; V669-W707 HydrophobicContact CG2-CD2 3.7Å; V669-W707 HydrophobicContact CG2-CE3 4.14Å; V669-W707 HydrophobicContact CG2-CG 3.97Å; V669-W707 HydrophobicContact CG2-CH2 4.5Å; V669-W707 HydrophobicContact CG2-CZ2 4.07Å
670	D	87.2	Confident	81.3	Confident	87 Å²	87	45.4 Å²	45.4	47%	0.465	23%	0.233	S	C	.	.	H	α-helix	trans	-69.1	-27.2	178.8	-114.2	36.4	0	0	0	113.5	D666 W674 K733	D666-D670 VanDerWaalsContact O-CB 3.31Å; D666-D670 WeakPolarHBondContact O-CB 3.39Å; D666-D670 PolarHBondContact O-N 3.25Å; D670-W674 WeakPolarHBondContact O-CB 3.49Å; D670-K733 PolarHBondContact O-NZ 2.67Å
671	S	88.9	Confident	79.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-77.4	-48.1	174.4	-60.9	0	0	0	0	110.3	V667 V668 V669 W674 I675	V667-S671 WeakPolarHBondContact O-CB 3.44Å; V667-S671 PolarHBondContact O-N 3.34Å; V667-S671 PolarHBondContact O-OG 2.8Å; V668-S671 PolarHBondContact O-N 3.08Å; V669-S671 VanDerWaalsContact C-N 3.31Å; V669-S671 PolarHBondContact O-N 3.29Å; S671-W674 WeakPolarHBondContact O-CB 3.5Å; S671-W674 PolarHBondContact O-N 3.27Å; S671-I675 VanDerWaalsContact O-CG1 3.31Å; S671-I675 WeakPolarHBondContact O-CG1 3.39Å; S671-I675 PolarHBondContact O-N 2.97Å
672	V	83	Confident	78.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-45	178.7	175.5	0	0	0	0	112.3	V668 V669 W674 I675 C676 L692 W707 F717	V668-V672 HydrophobicContact CG1-CG2 4.35Å; V668-V672 WeakPolarHBondContact O-CB 3.33Å; V668-V672 WeakPolarHBondContact O-CG2 3.43Å; V668-V672 PolarHBondContact O-N 2.87Å; V669-V672 PolarHBondContact O-N 3.05Å; V672-W674 PolarHBondContact O-N 2.89Å; V672-I675 CarbonylContact O-C 3.6Å; V672-I675 PolarHBondContact O-N 3.45Å; V672-I675 VanDerWaalsContact O-N 3.12Å; V672-C676 WeakPolarHBondContact O-CB 3.12Å; V672-C676 PolarHBondContact O-N 2.88Å; V672-C676 PolarHBondContact O-SG 2.72Å; V672-L692 HydrophobicContact CG1-CD1 3.32Å; V672-L692 HydrophobicContact CG1-CD2 3.7Å; V672-L692 HydrophobicContact CG1-CG 4.19Å; V672-W707 HydrophobicContact CB-CH2 3.71Å; V672-W707 HydrophobicContact CB-CZ3 3.92Å; V672-W707 HydrophobicContact CG1-CH2 3.54Å; V672-W707 HydrophobicContact CG1-CZ3 3.87Å; V672-W707 HydrophobicContact CG2-CH2 4.45Å; V672-W707 HydrophobicContact CG2-CZ3 4.15Å; V672-F717 HydrophobicContact CG2-CD2 3.56Å; V672-F717 HydrophobicContact CG2-CE2 3.8Å
673	N	80.6	Confident	77.7	Confident	34 Å²	34	44 Å²	44	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-32.3	175.6	-73.8	-17.8	0	0	0	111.7	V669 S677	V669-N673 WeakPolarHBondContact CG1-ND2 3.35Å; V669-N673 WeakPolarHBondContact O-CB 3.38Å; V669-N673 PolarHBondContact O-N 2.81Å; V669-N673 PolarHBondContact O-ND2 3.45Å; N673-S677 WeakPolarHBondContact O-CB 3.15Å; N673-S677 PolarHBondContact O-N 2.79Å; N673-S677 PolarHBondContact O-OG 3.4Å
674	W	84.2	Confident	76.8	Confident	29 Å²	29	44.2 Å²	44.2	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-76.9	-37.8	177.5	-161.6	93.6	0	0	0	112.2	D670 S671 V672 S677 R678 F727 M728 R731 K733	D670-W674 WeakPolarHBondContact O-CB 3.49Å; S671-W674 WeakPolarHBondContact O-CB 3.5Å; S671-W674 PolarHBondContact O-N 3.27Å; V672-W674 PolarHBondContact O-N 2.89Å; W674-S677 WeakPolarHBondContact CA-OG 3.34Å; W674-S677 PolarHBondContact O-N 3.4Å; W674-S677 PolarHBondContact O-OG 3.3Å; W674-R678 VanDerWaalsContact CZ2-CD 3.49Å; W674-R678 PolarHBondContact O-N 2.94Å; W674-R678 VanDerWaalsContact O-N 3.11Å; W674-F727 HydrophobicContact CE3-CE1 4.09Å; W674-F727 HydrophobicContact CZ3-CD1 4.21Å; W674-F727 AromaticContact CZ3-CE1 3.62Å; W674-F727 HydrophobicContact CZ3-CE1 3.62Å; W674-F727 HydrophobicContact CZ3-CZ 4.15Å; W674-M728 HydrophobicContact CD2-SD 4.04Å; W674-M728 HydrophobicContact CE3-CE 4.38Å; W674-M728 HydrophobicContact CE3-SD 3.36Å; W674-M728 HydrophobicContact CZ3-SD 3.89Å; W674-R731 HydrophobicContact CH2-CB 3.5Å; W674-R731 HydrophobicContact CH2-CG 4.21Å; W674-R731 HydrophobicContact CZ2-CB 4.48Å; W674-R731 HydrophobicContact CZ3-CB 4.19Å; W674-K733 HydrophobicContact CD2-CD 3.89Å; W674-K733 HydrophobicContact CG-CD 3.76Å; W674-K733 HydrophobicContact CZ2-CB 4.04Å
675	I	81.5	Confident	76.1	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-40.3	168.1	-62.8	161	0	0	0	111.1	S671 V672 G679 F685 L688 L689 I724 F727 M728	S671-I675 VanDerWaalsContact O-CG1 3.31Å; S671-I675 WeakPolarHBondContact O-CG1 3.39Å; S671-I675 PolarHBondContact O-N 2.97Å; V672-I675 CarbonylContact O-C 3.6Å; V672-I675 PolarHBondContact O-N 3.45Å; V672-I675 VanDerWaalsContact O-N 3.12Å; I675-G679 CarbonylContact O-C 3.56Å; I675-G679 WeakPolarHBondContact O-CA 3.28Å; I675-G679 PolarHBondContact O-N 3.26Å; I675-F685 HydrophobicContact CG2-CB 4.13Å; I675-F685 HydrophobicContact CG2-CD2 3.83Å; I675-F685 HydrophobicContact CG2-CG 3.96Å; I675-L688 HydrophobicContact CD1-CD2 4.4Å; I675-L689 HydrophobicContact CG2-CD2 4.33Å; I675-I724 HydrophobicContact CD1-CD1 4.33Å; I675-I724 HydrophobicContact CD1-CG1 3.97Å; I675-I724 HydrophobicContact CD1-CG2 4.09Å; I675-F727 HydrophobicContact CG1-CD1 4.13Å; I675-F727 HydrophobicContact CG1-CE1 4.01Å; I675-M728 HydrophobicContact CG1-SD 4.43Å
676	C	75.8	Confident	75.5	Confident	33 Å²	33	47.6 Å²	47.6	22%	0.223	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-35.7	177.9	-71.2	0	0	0	0	112.6	V672 L680	V672-C676 WeakPolarHBondContact O-CB 3.12Å; V672-C676 PolarHBondContact O-N 2.88Å; V672-C676 PolarHBondContact O-SG 2.72Å; C676-L680 WeakPolarHBondContact O-CD1 3Å; C676-L680 VanDerWaalsContact O-CG 3.25Å; C676-L680 WeakPolarHBondContact O-CG 3.4Å
677	S	74.3	Confident	74.9	Confident	82 Å²	82	46.6 Å²	46.6	57%	0.573	26%	0.257	S	S	*	.	H	α-helix	trans	-81.2	-22.3	179.6	50.7	0	0	0	0	114.3	N673 W674	N673-S677 WeakPolarHBondContact O-CB 3.15Å; N673-S677 PolarHBondContact O-N 2.79Å; N673-S677 PolarHBondContact O-OG 3.4Å; W674-S677 WeakPolarHBondContact CA-OG 3.34Å; W674-S677 PolarHBondContact O-N 3.4Å; W674-S677 PolarHBondContact O-OG 3.3Å
678	R	67.8	Low	74.2	Confident	134 Å²	134	45.7 Å²	45.7	51%	0.506	25%	0.251	S	S	.	.	H	α-helix	trans	-129.7	-17.2	-173.8	-60.7	-179.7	179.5	-153.3	-3.5	115.3	W674	W674-R678 VanDerWaalsContact CZ2-CD 3.49Å; W674-R678 PolarHBondContact O-N 2.94Å; W674-R678 VanDerWaalsContact O-N 3.11Å
679	G	56.1	Low	73.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.01	26%	0.259	C	S	.	.			trans	-106.8	6.7	-168.4	0	0	0	0	0	116.5	I675 N681 H682	I675-G679 CarbonylContact O-C 3.56Å; I675-G679 WeakPolarHBondContact O-CA 3.28Å; I675-G679 PolarHBondContact O-N 3.26Å; G679-N681 PolarHBondContact O-N 2.86Å; G679-H682 PolarHBondContact O-N 3.14Å
680	L	54.2	Low	73.1	Confident	117 Å²	117	53.5 Å²	53.5	61%	0.613	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	10.6	178.3	-63.1	171.6	0	0	0	116.1	C676	C676-L680 WeakPolarHBondContact O-CD1 3Å; C676-L680 VanDerWaalsContact O-CG 3.25Å; C676-L680 WeakPolarHBondContact O-CG 3.4Å
681	N	54.3	Low	72.4	Confident	85 Å²	85	50.4 Å²	50.4	46%	0.455	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-1.4	176.7	-60.9	-87.1	0	0	0	113.5	R355 G679	R355-N681 PolarHBondContact NE-OD1 3.4Å; R355-N681 PolarHBondContact NH2-OD1 3.27Å; G679-N681 PolarHBondContact O-N 2.86Å
682	H	60.1	Low	71.5	Confident	58 Å²	58	50.6 Å²	50.6	27%	0.269	27%	0.266	S	S	.	.			trans	-81.7	130.4	174.3	-108	-99.9	0	0	0	110.2	G679 D684 F685 F727 R731	G679-H682 PolarHBondContact O-N 3.14Å; H682-D684 VanDerWaalsContact C-N 3.31Å; H682-D684 IonicContact CE1-OD2 2.79Å; H682-D684 IonicContact CG-OD2 3.09Å; H682-D684 IonicContact ND1-OD2 2.84Å; H682-D684 PolarHBondContact ND1-OD2 3.2Å; H682-F685 HydrophobicContact CB-CD2 3.69Å; H682-F685 HydrophobicContact CB-CE2 3.98Å; H682-F727 AromaticContact CD2-CD2 3.72Å; H682-F727 AromaticContact CD2-CE2 3.37Å; H682-F727 WeakPolarHBondContact CD2-CE2 3.28Å; H682-F727 AromaticContact CE1-CD2 3.86Å; H682-F727 AromaticContact CG-CE2 3.95Å; H682-F727 AromaticContact NE2-CD2 3.6Å; H682-F727 AromaticContact NE2-CE2 3.61Å; H682-R731 PolarHBondContact NE2-NH2 2.78Å; H682-R731 VanDerWaalsContact NE2-NH2 3.13Å
683	G	64.7	Low	70.6	Confident	29 Å²	29	55.7 Å²	55.7	30%	0.299	29%	0.293	S	S	.	.	S	Bend	trans	-67.8	-34.5	179.8	0	0	0	0	0	112.5	F685 T686	G683-F685 VanDerWaalsContact C-N 3.34Å; G683-F685 PolarHBondContact O-N 3.45Å; G683-T686 WeakPolarHBondContact O-CB 3.14Å; G683-T686 PolarHBondContact O-N 3.29Å; G683-T686 PolarHBondContact O-OG1 3.48Å
684	D	69.8	Low	69.8	Low	95 Å²	95	57.4 Å²	57.4	51%	0.508	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-40.3	-170.2	-33.5	-62.5	0	0	0	111	H682 T686 E723	H682-D684 VanDerWaalsContact C-N 3.31Å; H682-D684 IonicContact CE1-OD2 2.79Å; H682-D684 IonicContact CG-OD2 3.09Å; H682-D684 IonicContact ND1-OD2 2.84Å; H682-D684 PolarHBondContact ND1-OD2 3.2Å; D684-T686 VanDerWaalsContact C-N 3.28Å; D684-T686 PolarHBondContact O-N 2.96Å; D684-E723 HydrophobicContact CB-CG 4.49Å
685	F	77	Confident	68.6	Low	1 Å²	1	59 Å²	59	0%	0.004	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	6.9	177	-47.9	-54.7	0	0	0	114.4	I675 H682 G683 T687 L688 L689 E723 I724 F727	I675-F685 HydrophobicContact CG2-CB 4.13Å; I675-F685 HydrophobicContact CG2-CD2 3.83Å; I675-F685 HydrophobicContact CG2-CG 3.96Å; H682-F685 HydrophobicContact CB-CD2 3.69Å; H682-F685 HydrophobicContact CB-CE2 3.98Å; G683-F685 VanDerWaalsContact C-N 3.34Å; G683-F685 PolarHBondContact O-N 3.45Å; F685-T687 VanDerWaalsContact C-N 3.25Å; F685-T687 PolarHBondContact O-N 3.36Å; F685-L688 HydrophobicContact CD1-CD2 4.48Å; F685-L688 PolarHBondContact O-N 3.48Å; F685-L688 VanDerWaalsContact O-N 3.15Å; F685-L689 HydrophobicContact CB-CD1 4.14Å; F685-L689 HydrophobicContact CB-CG 4.2Å; F685-L689 WeakPolarHBondContact O-CB 3.12Å; F685-L689 WeakPolarHBondContact O-CG 3.47Å; F685-L689 PolarHBondContact O-N 3.15Å; F685-E723 HydrophobicContact CE1-CB 3.88Å; F685-E723 HydrophobicContact CZ-CB 4.28Å; F685-E723 WeakPolarHBondContact CZ-O 3.34Å; F685-I724 HydrophobicContact CD1-CG1 4.1Å; F685-I724 HydrophobicContact CE1-CB 4.4Å; F685-I724 HydrophobicContact CE1-CG1 3.55Å; F685-I724 HydrophobicContact CZ-CG1 4.37Å; F685-F727 HydrophobicContact CE2-CB 3.71Å; F685-F727 AromaticContact CE2-CD1 3.59Å; F685-F727 HydrophobicContact CE2-CD1 3.59Å; F685-F727 AromaticContact CE2-CD2 3.88Å; F685-F727 HydrophobicContact CE2-CD2 3.88Å; F685-F727 HydrophobicContact CE2-CE1 4.13Å; F685-F727 HydrophobicContact CE2-CE2 4.39Å; F685-F727 AromaticContact CE2-CG 3.45Å; F685-F727 HydrophobicContact CE2-CG 3.45Å; F685-F727 VanDerWaalsContact CE2-CG 3.45Å; F685-F727 HydrophobicContact CZ-CB 3.49Å; F685-F727 VanDerWaalsContact CZ-CB 3.49Å; F685-F727 HydrophobicContact CZ-CD1 4.01Å; F685-F727 AromaticContact CZ-CG 3.78Å; F685-F727 HydrophobicContact CZ-CG 3.78Å
686	T	74.3	Confident	67.4	Low	76 Å²	76	60 Å²	60	47%	0.466	32%	0.32	S	S	.	.	H	α-helix	trans	-56.1	-40.2	-177.7	-59.8	0	0	0	0	112	G683 D684 Y690	G683-T686 WeakPolarHBondContact O-CB 3.14Å; G683-T686 PolarHBondContact O-N 3.29Å; G683-T686 PolarHBondContact O-OG1 3.48Å; D684-T686 VanDerWaalsContact C-N 3.28Å; D684-T686 PolarHBondContact O-N 2.96Å; T686-Y690 WeakPolarHBondContact O-CB 3.49Å; T686-Y690 PolarHBondContact O-N 3.37Å
687	T	74.5	Confident	66.3	Low	73 Å²	73	59.7 Å²	59.7	45%	0.448	32%	0.323	S	S	.	.	H	α-helix	trans	-71.6	-39.9	179	-55.8	0	0	0	0	112.2	F685 Y690 E691	F685-T687 VanDerWaalsContact C-N 3.25Å; F685-T687 PolarHBondContact O-N 3.36Å; T687-Y690 PolarHBondContact O-N 2.89Å; T687-E691 WeakPolarHBondContact O-CB 3.28Å; T687-E691 PolarHBondContact O-N 3.44Å
688	L	76.9	Confident	64.6	Low	2 Å²	2	61.6 Å²	61.6	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-48.1	175.5	175.5	60.3	0	0	0	110.9	I675 F685 Y690 E691 L692 V713 R716 I724	I675-L688 HydrophobicContact CD1-CD2 4.4Å; F685-L688 HydrophobicContact CD1-CD2 4.48Å; F685-L688 PolarHBondContact O-N 3.48Å; F685-L688 VanDerWaalsContact O-N 3.15Å; L688-Y690 VanDerWaalsContact C-N 3.34Å; L688-Y690 PolarHBondContact O-N 3.32Å; L688-E691 PolarHBondContact O-N 3.48Å; L688-L692 HydrophobicContact CD1-CD1 4.07Å; L688-L692 HydrophobicContact CG-CD1 3.9Å; L688-L692 WeakPolarHBondContact O-CB 3.4Å; L688-L692 VanDerWaalsContact O-CD1 3.3Å; L688-L692 WeakPolarHBondContact O-CD1 3.21Å; L688-L692 VanDerWaalsContact O-CG 3.22Å; L688-L692 WeakPolarHBondContact O-CG 3.29Å; L688-L692 PolarHBondContact O-N 2.94Å; L688-V713 HydrophobicContact CD1-CG1 4.41Å; L688-R716 HydrophobicContact CB-CB 4.34Å; L688-R716 HydrophobicContact CD1-CB 3.7Å; L688-I724 HydrophobicContact CD2-CD1 3.98Å
689	L	75.9	Confident	63.5	Low	31 Å²	31	61.3 Å²	61.3	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-34.2	176.9	-68.7	172.8	0	0	0	112.6	I675 F685 L692 D693	I675-L689 HydrophobicContact CG2-CD2 4.33Å; F685-L689 HydrophobicContact CB-CD1 4.14Å; F685-L689 HydrophobicContact CB-CG 4.2Å; F685-L689 WeakPolarHBondContact O-CB 3.12Å; F685-L689 WeakPolarHBondContact O-CG 3.47Å; F685-L689 PolarHBondContact O-N 3.15Å; L689-L692 HydrophobicContact CD2-CD1 4.17Å; L689-L692 PolarHBondContact O-N 2.82Å; L689-D693 PolarHBondContact O-N 3.48Å
690	Y	73.9	Confident	63	Low	154 Å²	154	62.5 Å²	62.5	60%	0.604	35%	0.35	S	S	*	.	H	α-helix	trans	-68.8	-42.6	172.7	176.2	-100.6	0	0	0	112.3	T686 T687 L688 L692 D693 S694	T686-Y690 WeakPolarHBondContact O-CB 3.49Å; T686-Y690 PolarHBondContact O-N 3.37Å; T687-Y690 PolarHBondContact O-N 2.89Å; L688-Y690 VanDerWaalsContact C-N 3.34Å; L688-Y690 PolarHBondContact O-N 3.32Å; Y690-L692 VanDerWaalsContact C-N 3.29Å; Y690-L692 PolarHBondContact O-N 3.48Å; Y690-D693 PolarHBondContact O-N 2.85Å; Y690-S694 WeakPolarHBondContact O-CB 3.47Å; Y690-S694 PolarHBondContact O-N 3.05Å
691	E	73.5	Confident	62.6	Low	22 Å²	22	65.1 Å²	65.1	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-38.8	174	-167.8	67.4	-131.6	0	0	110.6	T687 L688 S694 Q695 L712 V713 R716	T687-E691 WeakPolarHBondContact O-CB 3.28Å; T687-E691 PolarHBondContact O-N 3.44Å; L688-E691 PolarHBondContact O-N 3.48Å; E691-S694 PolarHBondContact O-N 3Å; E691-Q695 HydrophobicContact CG-CG 4.31Å; E691-Q695 VanDerWaalsContact O-CB 3.29Å; E691-Q695 WeakPolarHBondContact O-CB 3.24Å; E691-Q695 WeakPolarHBondContact O-CG 3.44Å; E691-Q695 PolarHBondContact O-N 3.17Å; E691-Q695 WeakPolarHBondContact OE1-CG 3.44Å; E691-Q695 PolarHBondContact OE1-NE2 3.05Å; E691-L712 HydrophobicContact CG-CB 4.02Å; E691-L712 WeakPolarHBondContact OE1-CB 3.21Å; E691-V713 HydrophobicContact CG-CG2 3.93Å; E691-R716 HydrophobicContact CB-CG 4.08Å; E691-R716 HydrophobicContact CG-CG 4.19Å
692	L	69.6	Low	61.9	Low	6 Å²	6	69.4 Å²	69.4	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-60.7	-53	173.2	-72.3	156.2	0	0	0	112.1	V672 L688 L689 Y690 S694 Q695 Y696 L700 W707 V713	V672-L692 HydrophobicContact CG1-CD1 3.32Å; V672-L692 HydrophobicContact CG1-CD2 3.7Å; V672-L692 HydrophobicContact CG1-CG 4.19Å; L688-L692 HydrophobicContact CD1-CD1 4.07Å; L688-L692 HydrophobicContact CG-CD1 3.9Å; L688-L692 WeakPolarHBondContact O-CB 3.4Å; L688-L692 VanDerWaalsContact O-CD1 3.3Å; L688-L692 WeakPolarHBondContact O-CD1 3.21Å; L688-L692 VanDerWaalsContact O-CG 3.22Å; L688-L692 WeakPolarHBondContact O-CG 3.29Å; L688-L692 PolarHBondContact O-N 2.94Å; L689-L692 HydrophobicContact CD2-CD1 4.17Å; L689-L692 PolarHBondContact O-N 2.82Å; Y690-L692 VanDerWaalsContact C-N 3.29Å; Y690-L692 PolarHBondContact O-N 3.48Å; L692-S694 VanDerWaalsContact C-N 3.35Å; L692-S694 PolarHBondContact O-N 2.92Å; L692-Q695 PolarHBondContact O-N 3.15Å; L692-Y696 HydrophobicContact CD2-CD2 4.05Å; L692-Y696 HydrophobicContact CD2-CE2 3.73Å; L692-Y696 VanDerWaalsContact O-CD2 3.28Å; L692-Y696 WeakPolarHBondContact O-CD2 3.17Å; L692-Y696 PolarHBondContact O-N 2.75Å; L692-L700 HydrophobicContact CD2-CD1 3.78Å; L692-W707 HydrophobicContact CD2-CH2 4.1Å; L692-W707 HydrophobicContact CD2-CZ3 3.92Å; L692-V713 HydrophobicContact CD2-CG1 3.67Å; L692-V713 HydrophobicContact CG-CG1 4.18Å
693	D	63.9	Low	61.2	Low	106 Å²	106	68.6 Å²	68.6	57%	0.567	37%	0.369	S	S	*	.	H	α-helix	trans	-64.6	-38.6	177.9	-173.1	55.1	0	0	0	112.1	L689 Y690 Q695 G697	L689-D693 PolarHBondContact O-N 3.48Å; Y690-D693 PolarHBondContact O-N 2.85Å; D693-Q695 VanDerWaalsContact C-N 3.31Å; D693-Q695 PolarHBondContact O-N 3.31Å; D693-G697 VanDerWaalsContact O-CA 3.24Å; D693-G697 WeakPolarHBondContact O-CA 3.48Å; D693-G697 PolarHBondContact O-N 3.25Å
694	S	64	Low	60.2	Low	71 Å²	71	69.3 Å²	69.3	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-65.7	-30.7	177.7	-171.6	0	0	0	0	113.4	Y690 E691 L692	Y690-S694 WeakPolarHBondContact O-CB 3.47Å; Y690-S694 PolarHBondContact O-N 3.05Å; E691-S694 PolarHBondContact O-N 3Å; L692-S694 VanDerWaalsContact C-N 3.35Å; L692-S694 PolarHBondContact O-N 2.92Å
695	Q	59.5	Low	59.1	Low	62 Å²	62	68.2 Å²	68.2	29%	0.29	37%	0.366	S	S	.	.	H	α-helix	trans	-88.9	-49.8	178.9	-65.6	-71	-14.3	0	0	111.6	E691 L692 D693 R710 V713	E691-Q695 HydrophobicContact CG-CG 4.31Å; E691-Q695 VanDerWaalsContact O-CB 3.29Å; E691-Q695 WeakPolarHBondContact O-CB 3.24Å; E691-Q695 WeakPolarHBondContact O-CG 3.44Å; E691-Q695 PolarHBondContact O-N 3.17Å; E691-Q695 WeakPolarHBondContact OE1-CG 3.44Å; E691-Q695 PolarHBondContact OE1-NE2 3.05Å; L692-Q695 PolarHBondContact O-N 3.15Å; D693-Q695 VanDerWaalsContact C-N 3.31Å; D693-Q695 PolarHBondContact O-N 3.31Å; Q695-R710 HydrophobicContact CB-CG 4.44Å; Q695-R710 PolarHBondContact O-NH1 2.85Å; Q695-R710 PolarHBondContact O-NH2 3.44Å; Q695-V713 HydrophobicContact CB-CG2 4.47Å; Q695-V713 HydrophobicContact CG-CG2 4.06Å
696	Y	55.6	Low	58	Low	21 Å²	21	73.8 Å²	73.8	8%	0.082	39%	0.39	C	S	.	.	H	α-helix	trans	-102.4	-25	-169.7	-56.7	-94.6	0	0	0	114.1	L692 L699 L700 W707 R710 V713	L692-Y696 HydrophobicContact CD2-CD2 4.05Å; L692-Y696 HydrophobicContact CD2-CE2 3.73Å; L692-Y696 VanDerWaalsContact O-CD2 3.28Å; L692-Y696 WeakPolarHBondContact O-CD2 3.17Å; L692-Y696 PolarHBondContact O-N 2.75Å; Y696-L699 PolarHBondContact O-N 2.82Å; Y696-L700 HydrophobicContact CD1-CD1 4.13Å; Y696-L700 HydrophobicContact CD1-CD2 3.35Å; Y696-L700 HydrophobicContact CD1-CG 3.51Å; Y696-L700 HydrophobicContact CD2-CD1 3.59Å; Y696-L700 HydrophobicContact CD2-CD2 4.26Å; Y696-L700 HydrophobicContact CD2-CG 3.92Å; Y696-L700 HydrophobicContact CE1-CD2 3.46Å; Y696-L700 VanDerWaalsContact CE1-CD2 3.46Å; Y696-L700 HydrophobicContact CE1-CG 4.09Å; Y696-L700 HydrophobicContact CE2-CD1 4.02Å; Y696-L700 HydrophobicContact CE2-CD2 4.33Å; Y696-L700 HydrophobicContact CE2-CG 4.42Å; Y696-L700 HydrophobicContact CG-CD1 3.66Å; Y696-L700 HydrophobicContact CG-CD2 3.81Å; Y696-L700 HydrophobicContact CG-CG 3.44Å; Y696-L700 VanDerWaalsContact CG-CG 3.44Å; Y696-W707 HydrophobicContact CE1-CD2 4.39Å; Y696-W707 HydrophobicContact CE1-CG 4.35Å; Y696-W707 AromaticContact CZ-CD2 3.9Å; Y696-W707 VanDerWaalsContact OH-CA 3.28Å; Y696-W707 WeakPolarHBondContact OH-CA 3.37Å; Y696-W707 WeakPolarHBondContact OH-CB 3.35Å; Y696-W707 VanDerWaalsContact OH-CE3 3.23Å; Y696-W707 VanDerWaalsContact OH-CG 3.28Å; Y696-R710 VanDerWaalsContact CA-NH1 3.33Å; Y696-R710 WeakPolarHBondContact OH-CD 3.15Å; Y696-V713 HydrophobicContact CE2-CG2 3.9Å
697	G	52.2	Low	57	Low	28 Å²	28	70.5 Å²	70.5	29%	0.289	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-143.4	-161.9	0	0	0	0	0	111.5	D693 L699	D693-G697 VanDerWaalsContact O-CA 3.24Å; D693-G697 WeakPolarHBondContact O-CA 3.48Å; D693-G697 PolarHBondContact O-N 3.25Å; G697-L699 PolarHBondContact O-N 2.68Å
698	S	39.2	Very low	56	Low	121 Å²	121	67.4 Å²	67.4	85%	0.846	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	19.1	178.6	66.2	0	0	0	0	115.4
699	L	44.7	Very low	55.1	Low	128 Å²	128	68 Å²	68	67%	0.67	36%	0.357	S	S	*	.			trans	-119.8	68.1	-174.2	-82.4	166.9	0	0	0	112.4	Y696 G697	Y696-L699 PolarHBondContact O-N 2.82Å; G697-L699 PolarHBondContact O-N 2.68Å
700	L	44.7	Very low	54.5	Low	27 Å²	27	69.3 Å²	69.3	14%	0.141	36%	0.359	C	S	.	.			trans	-136.2	109	173.6	-98.1	-179.7	0	0	0	110.9	L692 Y696 W707	L692-L700 HydrophobicContact CD2-CD1 3.78Å; Y696-L700 HydrophobicContact CD1-CD1 4.13Å; Y696-L700 HydrophobicContact CD1-CD2 3.35Å; Y696-L700 HydrophobicContact CD1-CG 3.51Å; Y696-L700 HydrophobicContact CD2-CD1 3.59Å; Y696-L700 HydrophobicContact CD2-CD2 4.26Å; Y696-L700 HydrophobicContact CD2-CG 3.92Å; Y696-L700 HydrophobicContact CE1-CD2 3.46Å; Y696-L700 VanDerWaalsContact CE1-CD2 3.46Å; Y696-L700 HydrophobicContact CE1-CG 4.09Å; Y696-L700 HydrophobicContact CE2-CD1 4.02Å; Y696-L700 HydrophobicContact CE2-CD2 4.33Å; Y696-L700 HydrophobicContact CE2-CG 4.42Å; Y696-L700 HydrophobicContact CG-CD1 3.66Å; Y696-L700 HydrophobicContact CG-CD2 3.81Å; Y696-L700 HydrophobicContact CG-CG 3.44Å; Y696-L700 VanDerWaalsContact CG-CG 3.44Å; L700-W707 HydrophobicContact CD1-CH2 4.24Å; L700-W707 HydrophobicContact CD1-CZ2 4.15Å; L700-W707 HydrophobicContact CD2-CD2 4.35Å; L700-W707 VanDerWaalsContact CD2-CE2 3.41Å; L700-W707 HydrophobicContact CD2-CH2 4.18Å; L700-W707 HydrophobicContact CD2-CZ2 3.33Å; L700-W707 HydrophobicContact CG-CZ2 4.34Å
701	Y	46.6	Very low	54.4	Low	172 Å²	172	62 Å²	62	68%	0.675	33%	0.331	S	S	*	.	S	Bend	trans	-155	-37.3	155.6	-76.1	-58.9	0	0	0	114.7
702	H	40	Very low	54.6	Low	174 Å²	174	64.7 Å²	64.7	81%	0.806	35%	0.346	S	S	*	.	S	Bend	trans	-133.7	36.5	-159.5	-55	-59.2	0	0	0	118.4
703	T	44.5	Very low	55.1	Low	41 Å²	41	64.4 Å²	64.4	25%	0.252	35%	0.345	S	S	.	.			trans	-155.7	108.7	168	-28.2	0	0	0	0	113.9	L705 K706	T703-L705 VanDerWaalsContact C-N 3.31Å; T703-L705 HydrophobicContact CG2-CB 4.12Å; T703-L705 HydrophobicContact CG2-CD1 4.36Å; T703-L705 PolarHBondContact O-N 2.97Å; T703-K706 PolarHBondContact O-N 3.36Å; T703-K706 PolarHBondContact OG1-NZ 3.06Å
704	A	44.4	Very low	56.2	Low	45 Å²	45	59.5 Å²	59.5	37%	0.372	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.6	178.7	0	0	0	0	0	113.8	K706 W707	A704-K706 VanDerWaalsContact C-N 3.29Å; A704-K706 PolarHBondContact O-N 3.37Å; A704-W707 WeakPolarHBondContact O-CB 3.45Å; A704-W707 PolarHBondContact O-N 3.13Å; A704-W707 VanDerWaalsContact O-N 3.08Å
705	L	46.4	Very low	57.5	Low	71 Å²	71	59.2 Å²	59.2	37%	0.372	31%	0.306	S	S	.	.	H	α-helix	trans	-48.6	-50.1	174	-79.3	155.3	0	0	0	111.9	A656 T703 W707 L708	A656-L705 HydrophobicContact CB-CD2 3.42Å; A656-L705 VanDerWaalsContact CB-CD2 3.42Å; A656-L705 HydrophobicContact CB-CG 4.3Å; T703-L705 VanDerWaalsContact C-N 3.31Å; T703-L705 HydrophobicContact CG2-CB 4.12Å; T703-L705 HydrophobicContact CG2-CD1 4.36Å; T703-L705 PolarHBondContact O-N 2.97Å; L705-W707 PolarHBondContact O-N 3.37Å; L705-L708 PolarHBondContact O-N 2.83Å
706	K	53.8	Low	58.9	Low	118 Å²	118	60.1 Å²	60.1	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-7.5	-176	-64.6	173.1	-174.7	145.9	0	114.2	T703 A704 R710	T703-K706 PolarHBondContact O-N 3.36Å; T703-K706 PolarHBondContact OG1-NZ 3.06Å; A704-K706 VanDerWaalsContact C-N 3.29Å; A704-K706 PolarHBondContact O-N 3.37Å; K706-R710 WeakPolarHBondContact O-CD 3.31Å; K706-R710 PolarHBondContact O-NE 3.44Å
707	W	53.3	Low	60.6	Low	8 Å²	8	59.1 Å²	59.1	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-88.9	-22.1	174.5	-68.4	69.8	0	0	0	112.8	M665 V669 V672 L692 Y696 L700 A704 L705 R710 V713	M665-W707 HydrophobicContact CE-CB 3.47Å; M665-W707 VanDerWaalsContact CE-CB 3.47Å; M665-W707 HydrophobicContact CE-CG 4.32Å; V669-W707 HydrophobicContact CB-CZ2 4.41Å; V669-W707 HydrophobicContact CG1-CZ2 4.08Å; V669-W707 HydrophobicContact CG2-CD2 3.7Å; V669-W707 HydrophobicContact CG2-CE3 4.14Å; V669-W707 HydrophobicContact CG2-CG 3.97Å; V669-W707 HydrophobicContact CG2-CH2 4.5Å; V669-W707 HydrophobicContact CG2-CZ2 4.07Å; V672-W707 HydrophobicContact CB-CH2 3.71Å; V672-W707 HydrophobicContact CB-CZ3 3.92Å; V672-W707 HydrophobicContact CG1-CH2 3.54Å; V672-W707 HydrophobicContact CG1-CZ3 3.87Å; V672-W707 HydrophobicContact CG2-CH2 4.45Å; V672-W707 HydrophobicContact CG2-CZ3 4.15Å; L692-W707 HydrophobicContact CD2-CH2 4.1Å; L692-W707 HydrophobicContact CD2-CZ3 3.92Å; Y696-W707 HydrophobicContact CE1-CD2 4.39Å; Y696-W707 HydrophobicContact CE1-CG 4.35Å; Y696-W707 AromaticContact CZ-CD2 3.9Å; Y696-W707 VanDerWaalsContact OH-CA 3.28Å; Y696-W707 WeakPolarHBondContact OH-CA 3.37Å; Y696-W707 WeakPolarHBondContact OH-CB 3.35Å; Y696-W707 VanDerWaalsContact OH-CE3 3.23Å; Y696-W707 VanDerWaalsContact OH-CG 3.28Å; L700-W707 HydrophobicContact CD1-CH2 4.24Å; L700-W707 HydrophobicContact CD1-CZ2 4.15Å; L700-W707 HydrophobicContact CD2-CD2 4.35Å; L700-W707 VanDerWaalsContact CD2-CE2 3.41Å; L700-W707 HydrophobicContact CD2-CH2 4.18Å; L700-W707 HydrophobicContact CD2-CZ2 3.33Å; L700-W707 HydrophobicContact CG-CZ2 4.34Å; A704-W707 WeakPolarHBondContact O-CB 3.45Å; A704-W707 PolarHBondContact O-N 3.13Å; A704-W707 VanDerWaalsContact O-N 3.08Å; L705-W707 PolarHBondContact O-N 3.37Å; W707-R710 WeakPolarHBondContact O-CB 3.49Å; W707-R710 PolarHBondContact O-N 3.18Å; W707-R710 VanDerWaalsContact O-N 3.16Å; W707-V713 HydrophobicContact CE3-CG1 4.22Å; W707-V713 HydrophobicContact CZ3-CG1 4.11Å
708	L	53.8	Low	62.6	Low	8 Å²	8	59 Å²	59	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-83.6	-19.1	-168.7	-80.2	164.4	0	0	0	114.7	C655 A656 M665 L705 R710 L714 L750 T754	C655-L708 HydrophobicContact CB-CB 3.79Å; C655-L708 HydrophobicContact CB-CD1 3.9Å; C655-L708 HydrophobicContact CB-CD2 3.91Å; C655-L708 HydrophobicContact CB-CG 4.08Å; A656-L708 HydrophobicContact CB-CD1 3.68Å; M665-L708 HydrophobicContact CE-CD2 4.16Å; M665-L708 HydrophobicContact CE-CG 4.08Å; M665-L708 HydrophobicContact CG-CD1 4.21Å; M665-L708 HydrophobicContact CG-CD2 3.86Å; M665-L708 HydrophobicContact CG-CG 4.15Å; M665-L708 HydrophobicContact SD-CD2 3.41Å; M665-L708 WeakPolarHBondContact SD-CD2 3.2Å; M665-L708 HydrophobicContact SD-CG 3.94Å; L705-L708 PolarHBondContact O-N 2.83Å; L708-R710 PolarHBondContact O-N 3.14Å; L708-L714 HydrophobicContact CD2-CD1 4.29Å; L708-L750 HydrophobicContact CD2-CD1 4.04Å; L708-L750 HydrophobicContact CD2-CD2 4.33Å; L708-T754 HydrophobicContact CD2-CG2 4.17Å; L708-T754 WeakPolarHBondContact O-CG2 3.38Å
709	G	56.9	Low	65.1	Low	14 Å²	14	57.4 Å²	57.4	14%	0.144	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	0.7	164.6	0	0	0	0	0	113.4	E652 N758	E652-G709 VanDerWaalsContact OE1-CA 3.24Å; E652-G709 WeakPolarHBondContact OE1-CA 3.32Å; E652-G709 PolarHBondContact OE1-N 2.69Å; E652-G709 VanDerWaalsContact OE1-N 3.12Å; G709-N758 PolarHBondContact O-ND2 2.95Å; G709-N758 PolarHBondContact O-OD1 3.24Å
710	R	64.2	Low	67.2	Low	58 Å²	58	52.3 Å²	52.3	22%	0.219	25%	0.249	C	C	.	.			trans	-116.3	51.3	-172.1	-63.5	160.4	-168.8	-114.3	-30.5	110.4	Q695 Y696 K706 W707 L708 L712 V713	Q695-R710 HydrophobicContact CB-CG 4.44Å; Q695-R710 PolarHBondContact O-NH1 2.85Å; Q695-R710 PolarHBondContact O-NH2 3.44Å; Y696-R710 VanDerWaalsContact CA-NH1 3.33Å; Y696-R710 WeakPolarHBondContact OH-CD 3.15Å; K706-R710 WeakPolarHBondContact O-CD 3.31Å; K706-R710 PolarHBondContact O-NE 3.44Å; W707-R710 WeakPolarHBondContact O-CB 3.49Å; W707-R710 PolarHBondContact O-N 3.18Å; W707-R710 VanDerWaalsContact O-N 3.16Å; L708-R710 PolarHBondContact O-N 3.14Å; R710-L712 PolarHBondContact O-N 2.71Å; R710-V713 HydrophobicContact CB-CG2 4.08Å; R710-V713 WeakPolarHBondContact O-CB 3.43Å; R710-V713 PolarHBondContact O-N 3.29Å
711	G	72.2	Confident	69.5	Low	2 Å²	2	52 Å²	52	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-53.7	-19.5	177.9	0	0	0	0	0	114.9	R715 T754	G711-R715 VanDerWaalsContact O-CB 3.23Å; G711-R715 WeakPolarHBondContact O-CB 3.14Å; G711-R715 PolarHBondContact O-N 3.42Å; G711-T754 WeakPolarHBondContact CA-OG1 3.48Å
712	L	76.1	Confident	71.6	Confident	77 Å²	77	51.8 Å²	51.8	40%	0.403	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-37.8	169	-72.6	168.2	0	0	0	112.8	E691 R710 R715 R716	E691-L712 HydrophobicContact CG-CB 4.02Å; E691-L712 WeakPolarHBondContact OE1-CB 3.21Å; R710-L712 PolarHBondContact O-N 2.71Å; L712-R715 WeakPolarHBondContact O-CB 3.3Å; L712-R715 PolarHBondContact O-N 3.35Å; L712-R716 WeakPolarHBondContact O-CG 3.47Å; L712-R716 PolarHBondContact O-N 2.78Å
713	V	81	Confident	74	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-43.6	177.2	178.2	0	0	0	0	110.4	L688 E691 L692 Q695 Y696 W707 R710 R715 R716 F717	L688-V713 HydrophobicContact CD1-CG1 4.41Å; E691-V713 HydrophobicContact CG-CG2 3.93Å; L692-V713 HydrophobicContact CD2-CG1 3.67Å; L692-V713 HydrophobicContact CG-CG1 4.18Å; Q695-V713 HydrophobicContact CB-CG2 4.47Å; Q695-V713 HydrophobicContact CG-CG2 4.06Å; Y696-V713 HydrophobicContact CE2-CG2 3.9Å; W707-V713 HydrophobicContact CE3-CG1 4.22Å; W707-V713 HydrophobicContact CZ3-CG1 4.11Å; R710-V713 HydrophobicContact CB-CG2 4.08Å; R710-V713 WeakPolarHBondContact O-CB 3.43Å; R710-V713 PolarHBondContact O-N 3.29Å; V713-R715 VanDerWaalsContact C-N 3.31Å; V713-R715 PolarHBondContact O-N 2.82Å; V713-R716 PolarHBondContact O-N 2.99Å; V713-F717 WeakPolarHBondContact O-CB 3.35Å; V713-F717 PolarHBondContact O-N 3.41Å
714	L	88.1	Confident	76.1	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-40.9	173.1	-74.3	164.7	0	0	0	111.6	M665 V668 L708 F717 F718 L747 L750 V751 T754	M665-L714 HydrophobicContact CE-CD2 4.3Å; M665-L714 HydrophobicContact SD-CD1 4.08Å; M665-L714 HydrophobicContact SD-CD2 3.77Å; M665-L714 HydrophobicContact SD-CG 4.47Å; V668-L714 HydrophobicContact CB-CD2 4.46Å; V668-L714 HydrophobicContact CG1-CD2 4.02Å; V668-L714 HydrophobicContact CG2-CD2 4.11Å; L708-L714 HydrophobicContact CD2-CD1 4.29Å; L714-F717 WeakPolarHBondContact O-CB 3.36Å; L714-F717 PolarHBondContact O-N 2.98Å; L714-F718 WeakPolarHBondContact O-CB 3.35Å; L714-F718 PolarHBondContact O-N 3.22Å; L714-L747 HydrophobicContact CD2-CD1 4.15Å; L714-L750 HydrophobicContact CD1-CD2 4.49Å; L714-L750 HydrophobicContact CD1-CG 4.33Å; L714-V751 HydrophobicContact CB-CG2 4.07Å; L714-T754 HydrophobicContact CD1-CG2 3.91Å
715	R	89.7	Confident	78.4	Confident	65 Å²	65	45 Å²	45	25%	0.245	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-46.7	172.5	179.6	-178.5	-65.7	-104.4	-5.5	112	G711 L712 V713 F717 F718 E719 V751 T755	G711-R715 VanDerWaalsContact O-CB 3.23Å; G711-R715 WeakPolarHBondContact O-CB 3.14Å; G711-R715 PolarHBondContact O-N 3.42Å; L712-R715 WeakPolarHBondContact O-CB 3.3Å; L712-R715 PolarHBondContact O-N 3.35Å; V713-R715 VanDerWaalsContact C-N 3.31Å; V713-R715 PolarHBondContact O-N 2.82Å; R715-F717 VanDerWaalsContact C-N 3.28Å; R715-F717 PolarHBondContact O-N 3.14Å; R715-F718 PolarHBondContact O-N 3.02Å; R715-E719 WeakPolarHBondContact CD-OE1 3.21Å; R715-E719 HydrophobicContact CG-CG 4.27Å; R715-E719 WeakPolarHBondContact CG-OE1 3.24Å; R715-E719 WeakPolarHBondContact O-CB 3.22Å; R715-E719 VanDerWaalsContact O-CG 3.25Å; R715-E719 WeakPolarHBondContact O-CG 3.47Å; R715-E719 PolarHBondContact O-N 3.22Å; R715-V751 HydrophobicContact CB-CG1 3.86Å; R715-V751 HydrophobicContact CG-CG1 4.33Å; R715-T755 PolarHBondContact NH2-OG1 3.16Å
716	R	88.8	Confident	80.5	Confident	82 Å²	82	45.4 Å²	45.4	31%	0.309	22%	0.22	S	C	.	.	H	α-helix	trans	-64.7	-31.2	175.4	-67.7	-43.5	-174.6	176.6	1.8	113.1	L688 E691 L712 V713 E719 S720	L688-R716 HydrophobicContact CB-CB 4.34Å; L688-R716 HydrophobicContact CD1-CB 3.7Å; E691-R716 HydrophobicContact CB-CG 4.08Å; E691-R716 HydrophobicContact CG-CG 4.19Å; L712-R716 WeakPolarHBondContact O-CG 3.47Å; L712-R716 PolarHBondContact O-N 2.78Å; V713-R716 PolarHBondContact O-N 2.99Å; R716-E719 WeakPolarHBondContact CD-OE2 3.2Å; R716-E719 IonicContact CZ-OE2 3.7Å; R716-E719 IonicContact NE-OE2 2.9Å; R716-E719 IonicContact NH1-OE2 3.28Å; R716-E719 PolarHBondContact NH1-OE2 2.81Å; R716-S720 PolarHBondContact O-N 2.92Å; R716-S720 PolarHBondContact O-OG 2.8Å
717	F	91.4	Very high	82.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-46.3	173	-166.7	-82.9	0	0	0	111.1	V668 V672 V713 L714 R715 S720 L721 I724 L738 W743 L747	V668-F717 HydrophobicContact CB-CE2 4.5Å; V668-F717 HydrophobicContact CG1-CD2 3.9Å; V668-F717 HydrophobicContact CG1-CE2 4.24Å; V668-F717 HydrophobicContact CG1-CG 4.08Å; V668-F717 HydrophobicContact CG2-CD1 3.9Å; V668-F717 HydrophobicContact CG2-CE1 3.92Å; V668-F717 HydrophobicContact CG2-CG 4.23Å; V668-F717 HydrophobicContact CG2-CZ 4.24Å; V672-F717 HydrophobicContact CG2-CD2 3.56Å; V672-F717 HydrophobicContact CG2-CE2 3.8Å; V713-F717 WeakPolarHBondContact O-CB 3.35Å; V713-F717 PolarHBondContact O-N 3.41Å; L714-F717 WeakPolarHBondContact O-CB 3.36Å; L714-F717 PolarHBondContact O-N 2.98Å; R715-F717 VanDerWaalsContact C-N 3.28Å; R715-F717 PolarHBondContact O-N 3.14Å; F717-S720 CarbonylContact O-C 3.56Å; F717-S720 PolarHBondContact O-N 2.82Å; F717-L721 HydrophobicContact CD1-CD2 3.99Å; F717-L721 HydrophobicContact CE1-CD2 3.77Å; F717-L721 PolarHBondContact O-N 3.5Å; F717-I724 HydrophobicContact CD1-CD1 4.37Å; F717-I724 HydrophobicContact CD2-CD1 3.62Å; F717-I724 HydrophobicContact CE1-CD1 4.41Å; F717-I724 HydrophobicContact CE2-CD1 3.68Å; F717-I724 HydrophobicContact CE2-CG2 4.37Å; F717-I724 HydrophobicContact CG-CD1 4Å; F717-I724 HydrophobicContact CZ-CD1 4.09Å; F717-I724 HydrophobicContact CZ-CG2 4.23Å; F717-L738 HydrophobicContact CE1-CD2 3.73Å; F717-L738 HydrophobicContact CZ-CD2 3.83Å; F717-W743 AromaticContact CE1-CH2 3.92Å; F717-W743 HydrophobicContact CE1-CH2 3.92Å; F717-W743 HydrophobicContact CE1-CZ3 4.43Å; F717-L747 HydrophobicContact CD1-CD2 3.91Å; F717-L747 HydrophobicContact CE1-CD2 4.36Å
718	F	93.9	Very high	83.8	Confident	26 Å²	26	39.7 Å²	39.7	11%	0.114	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-42.5	175.5	-179.9	-95	0	0	0	112.8	L714 R715 S720 L721 I744 L747 A748 V751 T802 V806	L714-F718 WeakPolarHBondContact O-CB 3.35Å; L714-F718 PolarHBondContact O-N 3.22Å; R715-F718 PolarHBondContact O-N 3.02Å; F718-S720 PolarHBondContact O-N 3.37Å; F718-L721 HydrophobicContact CD2-CD1 3.84Å; F718-L721 HydrophobicContact CE2-CD1 4.28Å; F718-L721 HydrophobicContact CG-CD1 4.46Å; F718-L721 WeakPolarHBondContact O-CG 3.3Å; F718-I744 HydrophobicContact CE2-CG2 4.33Å; F718-L747 HydrophobicContact CB-CD2 4.2Å; F718-L747 HydrophobicContact CB-CG 4.44Å; F718-L747 HydrophobicContact CD2-CD2 4.03Å; F718-L747 HydrophobicContact CD2-CG 4.12Å; F718-A748 HydrophobicContact CD2-CB 4.31Å; F718-A748 HydrophobicContact CE2-CB 3.63Å; F718-A748 HydrophobicContact CZ-CB 4.1Å; F718-V751 HydrophobicContact CB-CG2 3.89Å; F718-V751 HydrophobicContact CG-CG2 4.37Å; F718-T802 HydrophobicContact CD1-CG2 4.01Å; F718-T802 HydrophobicContact CE1-CG2 3.77Å; F718-T802 HydrophobicContact CZ-CG2 4.49Å; F718-V806 HydrophobicContact CE2-CG1 4.04Å; F718-V806 HydrophobicContact CE2-CG2 4.43Å; F718-V806 HydrophobicContact CZ-CG1 3.82Å; F718-V806 HydrophobicContact CZ-CG2 4.45Å
719	E	92.4	Very high	85.5	Confident	87 Å²	87	41.9 Å²	41.9	41%	0.407	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-5.6	176.4	-73.2	171.6	-176.8	0	0	114.1	R715 R716	R715-E719 WeakPolarHBondContact CD-OE1 3.21Å; R715-E719 HydrophobicContact CG-CG 4.27Å; R715-E719 WeakPolarHBondContact CG-OE1 3.24Å; R715-E719 WeakPolarHBondContact O-CB 3.22Å; R715-E719 VanDerWaalsContact O-CG 3.25Å; R715-E719 WeakPolarHBondContact O-CG 3.47Å; R715-E719 PolarHBondContact O-N 3.22Å; R716-E719 WeakPolarHBondContact CD-OE2 3.2Å; R716-E719 IonicContact CZ-OE2 3.7Å; R716-E719 IonicContact NE-OE2 2.9Å; R716-E719 IonicContact NH1-OE2 3.28Å; R716-E719 PolarHBondContact NH1-OE2 2.81Å
720	S	89.5	Confident	87	Confident	20 Å²	20	45.3 Å²	45.3	14%	0.14	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	27.3	-179.9	-58.2	0	0	0	0	113.4	R716 F717 F718 E722 E723 I724	R716-S720 PolarHBondContact O-N 2.92Å; R716-S720 PolarHBondContact O-OG 2.8Å; F717-S720 CarbonylContact O-C 3.56Å; F717-S720 PolarHBondContact O-N 2.82Å; F718-S720 PolarHBondContact O-N 3.37Å; S720-E722 VanDerWaalsContact C-N 3.35Å; S720-E722 PolarHBondContact O-N 3.01Å; S720-E723 VanDerWaalsContact C-OE2 3.27Å; S720-E723 WeakPolarHBondContact CA-OE2 3.42Å; S720-E723 PolarHBondContact O-N 3.43Å; S720-I724 WeakPolarHBondContact O-CB 3.32Å; S720-I724 WeakPolarHBondContact O-CD1 3.32Å; S720-I724 WeakPolarHBondContact O-CG1 3.25Å; S720-I724 PolarHBondContact O-N 2.83Å
721	L	92.5	Very high	88	Confident	20 Å²	20	49.4 Å²	49.4	11%	0.105	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-42	-176.7	-80.1	167.6	0	0	0	113.3	F717 F718 I724 D725 L738 W743 I744 L747	F717-L721 HydrophobicContact CD1-CD2 3.99Å; F717-L721 HydrophobicContact CE1-CD2 3.77Å; F717-L721 PolarHBondContact O-N 3.5Å; F718-L721 HydrophobicContact CD2-CD1 3.84Å; F718-L721 HydrophobicContact CE2-CD1 4.28Å; F718-L721 HydrophobicContact CG-CD1 4.46Å; F718-L721 WeakPolarHBondContact O-CG 3.3Å; L721-I724 PolarHBondContact O-N 2.65Å; L721-D725 PolarHBondContact O-N 3.31Å; L721-L738 HydrophobicContact CD2-CD2 4.02Å; L721-W743 HydrophobicContact CD2-CZ3 4.15Å; L721-I744 HydrophobicContact CD1-CG2 4.34Å; L721-L747 HydrophobicContact CD1-CD2 4.11Å; L721-L747 HydrophobicContact CD2-CD2 3.87Å; L721-L747 HydrophobicContact CG-CD2 4.37Å
722	E	91	Very high	88.6	Confident	169 Å²	169	52.5 Å²	52.5	79%	0.79	28%	0.281	S	S	*	.	H	α-helix	trans	-69.4	-41.9	-177.1	-62.8	-174.4	-173.8	0	0	111.3	S720 S726	S720-E722 VanDerWaalsContact C-N 3.35Å; S720-E722 PolarHBondContact O-N 3.01Å; E722-S726 WeakPolarHBondContact O-CB 3.44Å; E722-S726 PolarHBondContact O-N 3.47Å
723	E	89.3	Confident	89.2	Confident	87 Å²	87	51.1 Å²	51.1	41%	0.407	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-40	174.3	-60.1	90.9	154.6	0	0	111.4	D684 F685 S720 F727	D684-E723 HydrophobicContact CB-CG 4.49Å; F685-E723 HydrophobicContact CE1-CB 3.88Å; F685-E723 HydrophobicContact CZ-CB 4.28Å; F685-E723 WeakPolarHBondContact CZ-O 3.34Å; S720-E723 VanDerWaalsContact C-OE2 3.27Å; S720-E723 WeakPolarHBondContact CA-OE2 3.42Å; S720-E723 PolarHBondContact O-N 3.43Å; E723-F727 WeakPolarHBondContact O-CB 3.29Å; E723-F727 PolarHBondContact O-N 3.22Å
724	I	90.5	Very high	89.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-51.7	176.9	-67.5	168.1	0	0	0	110.3	I675 F685 L688 F717 S720 L721 S726 F727 M728 L738	I675-I724 HydrophobicContact CD1-CD1 4.33Å; I675-I724 HydrophobicContact CD1-CG1 3.97Å; I675-I724 HydrophobicContact CD1-CG2 4.09Å; F685-I724 HydrophobicContact CD1-CG1 4.1Å; F685-I724 HydrophobicContact CE1-CB 4.4Å; F685-I724 HydrophobicContact CE1-CG1 3.55Å; F685-I724 HydrophobicContact CZ-CG1 4.37Å; L688-I724 HydrophobicContact CD2-CD1 3.98Å; F717-I724 HydrophobicContact CD1-CD1 4.37Å; F717-I724 HydrophobicContact CD2-CD1 3.62Å; F717-I724 HydrophobicContact CE1-CD1 4.41Å; F717-I724 HydrophobicContact CE2-CD1 3.68Å; F717-I724 HydrophobicContact CE2-CG2 4.37Å; F717-I724 HydrophobicContact CG-CD1 4Å; F717-I724 HydrophobicContact CZ-CD1 4.09Å; F717-I724 HydrophobicContact CZ-CG2 4.23Å; S720-I724 WeakPolarHBondContact O-CB 3.32Å; S720-I724 WeakPolarHBondContact O-CD1 3.32Å; S720-I724 WeakPolarHBondContact O-CG1 3.25Å; S720-I724 PolarHBondContact O-N 2.83Å; L721-I724 PolarHBondContact O-N 2.65Å; I724-S726 VanDerWaalsContact C-N 3.33Å; I724-S726 PolarHBondContact O-N 2.92Å; I724-F727 PolarHBondContact O-N 3.36Å; I724-M728 HydrophobicContact CG2-CG 3.84Å; I724-M728 VanDerWaalsContact O-CB 3.24Å; I724-M728 WeakPolarHBondContact O-CB 3.39Å; I724-M728 WeakPolarHBondContact O-CG 3.35Å; I724-M728 PolarHBondContact O-N 2.88Å; I724-L738 HydrophobicContact CG2-CD1 3.69Å
725	D	91.9	Very high	89.8	Confident	30 Å²	30	55.7 Å²	55.7	16%	0.16	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-43.6	-179.7	-165.2	2.1	0	0	0	111.1	L721 F727 M728 S729 L738 S739	L721-D725 PolarHBondContact O-N 3.31Å; D725-F727 PolarHBondContact O-N 2.8Å; D725-M728 PolarHBondContact O-N 2.73Å; D725-S729 WeakPolarHBondContact O-CB 3.02Å; D725-S729 PolarHBondContact O-N 3.12Å; D725-S729 PolarHBondContact O-OG 2.77Å; D725-S729 VanDerWaalsContact O-OG 3.08Å; D725-S729 PolarHBondContact OD1-OG 2.82Å; D725-L738 HydrophobicContact CB-CB 3.94Å; D725-L738 HydrophobicContact CB-CD1 3.97Å; D725-S739 PolarHBondContact OD2-OG 2.68Å
726	S	89.2	Confident	90	Very high	80 Å²	80	57 Å²	57	56%	0.559	32%	0.318	S	S	*	.	H	α-helix	trans	-58.7	-45.5	174.1	-176.8	0	0	0	0	112.9	E722 I724 S730	E722-S726 WeakPolarHBondContact O-CB 3.44Å; E722-S726 PolarHBondContact O-N 3.47Å; I724-S726 VanDerWaalsContact C-N 3.33Å; I724-S726 PolarHBondContact O-N 2.92Å; S726-S730 WeakPolarHBondContact O-CB 3.45Å; S726-S730 PolarHBondContact O-N 3.33Å; S726-S730 PolarHBondContact O-OG 3.01Å
727	F	88	Confident	90.3	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-69	-40.8	177.5	174.2	-106.1	0	0	0	113	W674 I675 H682 F685 E723 I724 D725 S730 R731	W674-F727 HydrophobicContact CE3-CE1 4.09Å; W674-F727 HydrophobicContact CZ3-CD1 4.21Å; W674-F727 AromaticContact CZ3-CE1 3.62Å; W674-F727 HydrophobicContact CZ3-CE1 3.62Å; W674-F727 HydrophobicContact CZ3-CZ 4.15Å; I675-F727 HydrophobicContact CG1-CD1 4.13Å; I675-F727 HydrophobicContact CG1-CE1 4.01Å; H682-F727 AromaticContact CD2-CD2 3.72Å; H682-F727 AromaticContact CD2-CE2 3.37Å; H682-F727 WeakPolarHBondContact CD2-CE2 3.28Å; H682-F727 AromaticContact CE1-CD2 3.86Å; H682-F727 AromaticContact CG-CE2 3.95Å; H682-F727 AromaticContact NE2-CD2 3.6Å; H682-F727 AromaticContact NE2-CE2 3.61Å; F685-F727 HydrophobicContact CE2-CB 3.71Å; F685-F727 AromaticContact CE2-CD1 3.59Å; F685-F727 HydrophobicContact CE2-CD1 3.59Å; F685-F727 AromaticContact CE2-CD2 3.88Å; F685-F727 HydrophobicContact CE2-CD2 3.88Å; F685-F727 HydrophobicContact CE2-CE1 4.13Å; F685-F727 HydrophobicContact CE2-CE2 4.39Å; F685-F727 AromaticContact CE2-CG 3.45Å; F685-F727 HydrophobicContact CE2-CG 3.45Å; F685-F727 VanDerWaalsContact CE2-CG 3.45Å; F685-F727 HydrophobicContact CZ-CB 3.49Å; F685-F727 VanDerWaalsContact CZ-CB 3.49Å; F685-F727 HydrophobicContact CZ-CD1 4.01Å; F685-F727 AromaticContact CZ-CG 3.78Å; F685-F727 HydrophobicContact CZ-CG 3.78Å; E723-F727 WeakPolarHBondContact O-CB 3.29Å; E723-F727 PolarHBondContact O-N 3.22Å; I724-F727 PolarHBondContact O-N 3.36Å; D725-F727 PolarHBondContact O-N 2.8Å; F727-S730 WeakPolarHBondContact CA-OG 3.45Å; F727-S730 PolarHBondContact O-OG 2.89Å; F727-R731 HydrophobicContact CD2-CG 4.18Å; F727-R731 HydrophobicContact CE2-CG 4.05Å; F727-R731 HydrophobicContact CZ-CG 4.45Å; F727-R731 WeakPolarHBondContact O-CB 3.33Å; F727-R731 WeakPolarHBondContact O-CG 3.42Å; F727-R731 PolarHBondContact O-N 3.27Å
728	M	89.2	Confident	90.4	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-45.7	-179.9	-67.7	-74.5	-76.3	0	0	110.2	W674 I675 I724 D725 R731 G732 K733 V735	W674-M728 HydrophobicContact CD2-SD 4.04Å; W674-M728 HydrophobicContact CE3-CE 4.38Å; W674-M728 HydrophobicContact CE3-SD 3.36Å; W674-M728 HydrophobicContact CZ3-SD 3.89Å; I675-M728 HydrophobicContact CG1-SD 4.43Å; I724-M728 HydrophobicContact CG2-CG 3.84Å; I724-M728 VanDerWaalsContact O-CB 3.24Å; I724-M728 WeakPolarHBondContact O-CB 3.39Å; I724-M728 WeakPolarHBondContact O-CG 3.35Å; I724-M728 PolarHBondContact O-N 2.88Å; D725-M728 PolarHBondContact O-N 2.73Å; M728-R731 PolarHBondContact O-N 3.08Å; M728-G732 PolarHBondContact O-N 3.13Å; M728-K733 CarbonylContact C-O 3.43Å; M728-K733 WeakPolarHBondContact CB-O 3.48Å; M728-K733 HydrophobicContact CE-CD 3.64Å; M728-K733 HydrophobicContact CE-CG 4.3Å; M728-K733 CarbonylContact O-C 3.59Å; M728-K733 VanDerWaalsContact O-C 3.22Å; M728-K733 WeakPolarHBondContact O-CA 3.15Å; M728-K733 PolarHBondContact O-N 3.42Å; M728-V735 HydrophobicContact CB-CG2 4.46Å; M728-V735 HydrophobicContact CE-CG2 3.45Å; M728-V735 VanDerWaalsContact CE-CG2 3.45Å
729	S	90.4	Very high	90.3	Very high	53 Å²	53	59.6 Å²	59.6	37%	0.371	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-48	176.7	-67.7	0	0	0	0	113	D725 R731 G732	D725-S729 WeakPolarHBondContact O-CB 3.02Å; D725-S729 PolarHBondContact O-N 3.12Å; D725-S729 PolarHBondContact O-OG 2.77Å; D725-S729 VanDerWaalsContact O-OG 3.08Å; D725-S729 PolarHBondContact OD1-OG 2.82Å; S729-R731 PolarHBondContact O-N 2.79Å; S729-G732 PolarHBondContact O-N 3.04Å
730	S	87.6	Confident	90.4	Very high	87 Å²	87	57.7 Å²	57.7	61%	0.608	34%	0.34	S	S	*	.	H	α-helix	trans	-64.7	-9.4	178.7	61	0	0	0	0	114.7	S726 F727	S726-S730 WeakPolarHBondContact O-CB 3.45Å; S726-S730 PolarHBondContact O-N 3.33Å; S726-S730 PolarHBondContact O-OG 3.01Å; F727-S730 WeakPolarHBondContact CA-OG 3.45Å; F727-S730 PolarHBondContact O-OG 2.89Å
731	R	84.7	Confident	90.6	Very high	144 Å²	144	61.7 Å²	61.7	54%	0.543	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	9.9	176.6	-56.8	-76.3	-174.9	163.9	0.1	113.6	W674 H682 F727 M728 S729	W674-R731 HydrophobicContact CH2-CB 3.5Å; W674-R731 HydrophobicContact CH2-CG 4.21Å; W674-R731 HydrophobicContact CZ2-CB 4.48Å; W674-R731 HydrophobicContact CZ3-CB 4.19Å; H682-R731 PolarHBondContact NE2-NH2 2.78Å; H682-R731 VanDerWaalsContact NE2-NH2 3.13Å; F727-R731 HydrophobicContact CD2-CG 4.18Å; F727-R731 HydrophobicContact CE2-CG 4.05Å; F727-R731 HydrophobicContact CZ-CG 4.45Å; F727-R731 WeakPolarHBondContact O-CB 3.33Å; F727-R731 WeakPolarHBondContact O-CG 3.42Å; F727-R731 PolarHBondContact O-N 3.27Å; M728-R731 PolarHBondContact O-N 3.08Å; S729-R731 PolarHBondContact O-N 2.79Å
732	G	85.5	Confident	90.7	Very high	67 Å²	67	66 Å²	66	69%	0.691	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	20.8	174.3	0	0	0	0	0	115.7	M728 S729 P734	M728-G732 PolarHBondContact O-N 3.13Å; S729-G732 PolarHBondContact O-N 3.04Å; G732-P734 VanDerWaalsContact C-CD 3.48Å
733	K	88	Confident	90.9	Very high	47 Å²	47	58.7 Å²	58.7	20%	0.204	34%	0.34	C	S	.	.			trans	-125.1	66.2	167.1	-171.9	-165.7	164.2	-176.4	0	109.4	D670 W674 M728	D670-K733 PolarHBondContact O-NZ 2.67Å; W674-K733 HydrophobicContact CD2-CD 3.89Å; W674-K733 HydrophobicContact CG-CD 3.76Å; W674-K733 HydrophobicContact CZ2-CB 4.04Å; M728-K733 CarbonylContact C-O 3.43Å; M728-K733 WeakPolarHBondContact CB-O 3.48Å; M728-K733 HydrophobicContact CE-CD 3.64Å; M728-K733 HydrophobicContact CE-CG 4.3Å; M728-K733 CarbonylContact O-C 3.59Å; M728-K733 VanDerWaalsContact O-C 3.22Å; M728-K733 WeakPolarHBondContact O-CA 3.15Å; M728-K733 PolarHBondContact O-N 3.42Å
734	P	90	Very high	91.3	Very high	87 Å²	87	56.1 Å²	56.1	57%	0.565	33%	0.328	S	S	*	.			trans	-58.4	142.6	173.7	27.3	-35.2	0	0	0	110.6	G732	G732-P734 VanDerWaalsContact C-CD 3.48Å
735	V	93.3	Very high	91.6	Very high	12 Å²	12	56.2 Å²	56.2	7%	0.073	33%	0.329	C	S	.	.			trans	-126.5	88.9	-179.1	-177.5	0	0	0	0	108.2	V667 M728 Q737 L738	V667-V735 HydrophobicContact CG1-CG1 3.84Å; M728-V735 HydrophobicContact CB-CG2 4.46Å; M728-V735 HydrophobicContact CE-CG2 3.45Å; M728-V735 VanDerWaalsContact CE-CG2 3.45Å; V735-Q737 HydrophobicContact CG1-CB 4.32Å; V735-Q737 VanDerWaalsContact CG1-OE1 3.31Å; V735-Q737 PolarHBondContact O-N 3.28Å; V735-L738 HydrophobicContact CB-CD1 3.87Å; V735-L738 HydrophobicContact CB-CG 3.92Å; V735-L738 HydrophobicContact CG1-CD1 4.25Å; V735-L738 HydrophobicContact CG1-CD2 4.48Å; V735-L738 HydrophobicContact CG1-CG 3.85Å; V735-L738 WeakPolarHBondContact O-CB 3.24Å; V735-L738 PolarHBondContact O-N 3.14Å
736	P	93.4	Very high	91.7	Very high	94 Å²	94	56 Å²	56	61%	0.61	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.3	-169.4	26.1	-35.7	0	0	0	114.2	L738 S740	P736-L738 VanDerWaalsContact C-N 3.32Å; P736-S740 PolarHBondContact O-N 3.24Å
737	Q	94	Very high	92	Very high	75 Å²	75	52.2 Å²	52.2	35%	0.35	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-34	170.1	-64.8	85.3	-8.5	0	0	112.6	V667 V735 S739 S740 W743	V667-Q737 HydrophobicContact CG1-CB 4.07Å; V667-Q737 HydrophobicContact CG2-CB 4.46Å; V667-Q737 HydrophobicContact CG2-CG 4.11Å; V735-Q737 HydrophobicContact CG1-CB 4.32Å; V735-Q737 VanDerWaalsContact CG1-OE1 3.31Å; V735-Q737 PolarHBondContact O-N 3.28Å; Q737-S739 VanDerWaalsContact C-N 3.26Å; Q737-S739 PolarHBondContact O-N 2.82Å; Q737-S740 WeakPolarHBondContact O-CB 3.49Å; Q737-S740 PolarHBondContact O-N 3.08Å; Q737-S740 VanDerWaalsContact O-N 3.1Å; Q737-W743 HydrophobicContact CB-CB 4.44Å; Q737-W743 HydrophobicContact CB-CD2 3.88Å; Q737-W743 HydrophobicContact CB-CE3 4.46Å; Q737-W743 HydrophobicContact CB-CG 3.82Å; Q737-W743 HydrophobicContact CG-CG 4.44Å; Q737-W743 VanDerWaalsContact O-CE3 3.25Å
738	L	93.4	Very high	92.4	Very high	6 Å²	6	52 Å²	52	3%	0.031	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-27.4	-176.9	-58.5	-179.5	0	0	0	112.9	V667 F717 L721 I724 D725 V735 P736 W743 I744	V667-L738 HydrophobicContact CG1-CD2 4.42Å; F717-L738 HydrophobicContact CE1-CD2 3.73Å; F717-L738 HydrophobicContact CZ-CD2 3.83Å; L721-L738 HydrophobicContact CD2-CD2 4.02Å; I724-L738 HydrophobicContact CG2-CD1 3.69Å; D725-L738 HydrophobicContact CB-CB 3.94Å; D725-L738 HydrophobicContact CB-CD1 3.97Å; V735-L738 HydrophobicContact CB-CD1 3.87Å; V735-L738 HydrophobicContact CB-CG 3.92Å; V735-L738 HydrophobicContact CG1-CD1 4.25Å; V735-L738 HydrophobicContact CG1-CD2 4.48Å; V735-L738 HydrophobicContact CG1-CG 3.85Å; V735-L738 WeakPolarHBondContact O-CB 3.24Å; V735-L738 PolarHBondContact O-N 3.14Å; P736-L738 VanDerWaalsContact C-N 3.32Å; L738-W743 HydrophobicContact CD2-CH2 3.94Å; L738-W743 HydrophobicContact CD2-CZ3 3.78Å; L738-I744 WeakPolarHBondContact O-CD1 3.42Å
739	S	91.8	Very high	92.7	Very high	81 Å²	81	52 Å²	52	57%	0.566	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	0.4	174.7	3.9	0	0	0	0	113	D725 Q737	D725-S739 PolarHBondContact OD2-OG 2.68Å; Q737-S739 VanDerWaalsContact C-N 3.26Å; Q737-S739 PolarHBondContact O-N 2.82Å
740	S	94.9	Very high	92.8	Very high	47 Å²	47	49.5 Å²	49.5	33%	0.329	28%	0.283	S	S	.	.			trans	-87.1	119.5	-179.1	178.5	0	0	0	0	112	P736 Q737 D742 W743 I744	P736-S740 PolarHBondContact O-N 3.24Å; Q737-S740 WeakPolarHBondContact O-CB 3.49Å; Q737-S740 PolarHBondContact O-N 3.08Å; Q737-S740 VanDerWaalsContact O-N 3.1Å; S740-D742 VanDerWaalsContact C-N 3.32Å; S740-D742 PolarHBondContact O-N 2.91Å; S740-W743 PolarHBondContact O-N 3.43Å; S740-I744 WeakPolarHBondContact O-CD1 3.42Å; S740-I744 VanDerWaalsContact O-CG1 3.24Å; S740-I744 WeakPolarHBondContact O-CG1 3.2Å; S740-I744 PolarHBondContact O-N 2.88Å
741	R	93.8	Very high	93.1	Very high	104 Å²	104	45.3 Å²	45.3	39%	0.392	25%	0.254	S	S	.	.	H	α-helix	trans	-50.7	-49.4	-179	178.3	-177.9	173.1	-159.9	-7.1	112.6	W743 I744 L745 D812	R741-W743 VanDerWaalsContact C-N 3.31Å; R741-W743 PolarHBondContact O-N 3.46Å; R741-I744 PolarHBondContact O-N 2.91Å; R741-L745 HydrophobicContact CG-CD1 4.02Å; R741-L745 HydrophobicContact CG-CG 4.36Å; R741-L745 WeakPolarHBondContact O-CG 3.02Å; R741-L745 PolarHBondContact O-N 3.22Å; R741-D812 IonicContact CZ-OD1 3.66Å; R741-D812 IonicContact CZ-OD2 2.68Å; R741-D812 IonicContact NH2-OD1 2.73Å; R741-D812 PolarHBondContact NH2-OD1 2.85Å; R741-D812 IonicContact NH2-OD2 3.91Å; R741-D812 PolarHBondContact NH2-OD2 3.32Å
742	D	93.8	Very high	93.5	Very high	110 Å²	110	38.5 Å²	38.5	59%	0.588	23%	0.228	S	C	*	.	H	α-helix	trans	-69.3	-34.1	-172.2	-55.7	-20.3	0	0	0	111.1	S740 D746	S740-D742 VanDerWaalsContact C-N 3.32Å; S740-D742 PolarHBondContact O-N 2.91Å; D742-D746 PolarHBondContact O-N 3.01Å
743	W	96.3	Very high	93.8	Very high	15 Å²	15	35.3 Å²	35.3	6%	0.057	20%	0.195	C	C	.	.	H	α-helix	trans	-71.6	-37.9	173.9	-170.2	93.1	0	0	0	112.2	H663 V664 V667 V668 F717 L721 Q737 L738 S740 R741 D746 L747	H663-W743 PolarHBondContact O-NE1 2.87Å; V664-W743 HydrophobicContact CB-CZ2 4.37Å; V664-W743 HydrophobicContact CG1-CH2 4.43Å; V664-W743 HydrophobicContact CG1-CZ2 3.86Å; V667-W743 HydrophobicContact CB-CZ2 3.68Å; V667-W743 HydrophobicContact CG1-CH2 4.05Å; V667-W743 HydrophobicContact CG1-CZ2 3.48Å; V667-W743 VanDerWaalsContact CG1-CZ2 3.48Å; V668-W743 HydrophobicContact CG2-CH2 4.06Å; V668-W743 HydrophobicContact CG2-CZ2 4.21Å; F717-W743 AromaticContact CE1-CH2 3.92Å; F717-W743 HydrophobicContact CE1-CH2 3.92Å; F717-W743 HydrophobicContact CE1-CZ3 4.43Å; L721-W743 HydrophobicContact CD2-CZ3 4.15Å; Q737-W743 HydrophobicContact CB-CB 4.44Å; Q737-W743 HydrophobicContact CB-CD2 3.88Å; Q737-W743 HydrophobicContact CB-CE3 4.46Å; Q737-W743 HydrophobicContact CB-CG 3.82Å; Q737-W743 HydrophobicContact CG-CG 4.44Å; Q737-W743 VanDerWaalsContact O-CE3 3.25Å; L738-W743 HydrophobicContact CD2-CH2 3.94Å; L738-W743 HydrophobicContact CD2-CZ3 3.78Å; S740-W743 PolarHBondContact O-N 3.43Å; R741-W743 VanDerWaalsContact C-N 3.31Å; R741-W743 PolarHBondContact O-N 3.46Å; W743-D746 PolarHBondContact O-N 3.04Å; W743-L747 HydrophobicContact CE3-CB 4.43Å; W743-L747 HydrophobicContact CH2-CB 4.32Å; W743-L747 HydrophobicContact CH2-CD2 3.81Å; W743-L747 HydrophobicContact CH2-CG 4.47Å; W743-L747 HydrophobicContact CZ3-CB 4.12Å; W743-L747 HydrophobicContact CZ3-CD2 3.62Å; W743-L747 HydrophobicContact CZ3-CG 4.43Å; W743-L747 WeakPolarHBondContact O-CB 3.31Å; W743-L747 PolarHBondContact O-N 2.69Å
744	I	96.8	Very high	93.8	Very high	33 Å²	33	33.1 Å²	33.1	17%	0.169	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-41	174.3	-64.3	161.4	0	0	0	111	F718 L721 L738 S740 R741 L747 A748 V806	F718-I744 HydrophobicContact CE2-CG2 4.33Å; L721-I744 HydrophobicContact CD1-CG2 4.34Å; L738-I744 WeakPolarHBondContact O-CD1 3.42Å; S740-I744 WeakPolarHBondContact O-CD1 3.42Å; S740-I744 VanDerWaalsContact O-CG1 3.24Å; S740-I744 WeakPolarHBondContact O-CG1 3.2Å; S740-I744 PolarHBondContact O-N 2.88Å; R741-I744 PolarHBondContact O-N 2.91Å; I744-L747 PolarHBondContact O-N 2.9Å; I744-A748 WeakPolarHBondContact O-CB 3.44Å; I744-A748 PolarHBondContact O-N 3.37Å; I744-V806 HydrophobicContact CG2-CB 4.02Å; I744-V806 HydrophobicContact CG2-CG1 3.69Å; I744-V806 HydrophobicContact CG2-CG2 4.21Å
745	L	96.6	Very high	93.8	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-46.1	173.5	-70.2	170.1	0	0	0	111	R741 A748 F749 L803 V806 D812 Y816	R741-L745 HydrophobicContact CG-CD1 4.02Å; R741-L745 HydrophobicContact CG-CG 4.36Å; R741-L745 WeakPolarHBondContact O-CG 3.02Å; R741-L745 PolarHBondContact O-N 3.22Å; L745-A748 PolarHBondContact O-N 3.19Å; L745-F749 PolarHBondContact O-N 2.8Å; L745-L803 HydrophobicContact CB-CD1 4.18Å; L745-L803 HydrophobicContact CD2-CD1 3.75Å; L745-L803 WeakPolarHBondContact O-CD1 3.33Å; L745-V806 HydrophobicContact CD2-CB 4.5Å; L745-V806 HydrophobicContact CD2-CG2 3.97Å; L745-D812 HydrophobicContact CD1-CB 4.42Å; L745-D812 HydrophobicContact CD2-CB 4.37Å; L745-Y816 VanDerWaalsContact C-OH 3.25Å; L745-Y816 WeakPolarHBondContact CB-OH 3.15Å
746	D	95.9	Very high	93.6	Very high	27 Å²	27	32.2 Å²	32.2	14%	0.144	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-42.4	177.2	-95.1	24.8	0	0	0	112.6	M661 H663 V664 D742 W743 L750 Y816	M661-D746 HydrophobicContact CE-CB 3.63Å; M661-D746 WeakPolarHBondContact CE-O 3.38Å; H663-D746 IonicContact CD2-OD2 3.94Å; H663-D746 IonicContact CE1-OD2 2.79Å; H663-D746 PolarHBondContact CE1-OD2 3.45Å; H663-D746 VanDerWaalsContact CE1-OD2 3.28Å; H663-D746 IonicContact NE2-OD2 2.68Å; H663-D746 PolarHBondContact NE2-OD2 2.89Å; V664-D746 HydrophobicContact CG2-CB 3.77Å; D742-D746 PolarHBondContact O-N 3.01Å; W743-D746 PolarHBondContact O-N 3.04Å; D746-L750 WeakPolarHBondContact O-CB 3.25Å; D746-L750 PolarHBondContact O-N 3.27Å; D746-Y816 PolarHBondContact N-OH 3.49Å; D746-Y816 WeakPolarHBondContact OD1-CE1 3.22Å; D746-Y816 VanDerWaalsContact OD1-CZ 3.27Å; D746-Y816 PolarHBondContact OD1-OH 2.85Å
747	L	95.3	Very high	93.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-45.2	173.1	174.3	62.7	0	0	0	111.3	V664 V668 L714 F717 F718 L721 W743 I744 L750 V751	V664-L747 HydrophobicContact CG1-CB 3.98Å; V664-L747 HydrophobicContact CG1-CD1 3.74Å; V664-L747 HydrophobicContact CG1-CG 4.45Å; V668-L747 HydrophobicContact CG2-CD1 4.13Å; L714-L747 HydrophobicContact CD2-CD1 4.15Å; F717-L747 HydrophobicContact CD1-CD2 3.91Å; F717-L747 HydrophobicContact CE1-CD2 4.36Å; F718-L747 HydrophobicContact CB-CD2 4.2Å; F718-L747 HydrophobicContact CB-CG 4.44Å; F718-L747 HydrophobicContact CD2-CD2 4.03Å; F718-L747 HydrophobicContact CD2-CG 4.12Å; L721-L747 HydrophobicContact CD1-CD2 4.11Å; L721-L747 HydrophobicContact CD2-CD2 3.87Å; L721-L747 HydrophobicContact CG-CD2 4.37Å; W743-L747 HydrophobicContact CE3-CB 4.43Å; W743-L747 HydrophobicContact CH2-CB 4.32Å; W743-L747 HydrophobicContact CH2-CD2 3.81Å; W743-L747 HydrophobicContact CH2-CG 4.47Å; W743-L747 HydrophobicContact CZ3-CB 4.12Å; W743-L747 HydrophobicContact CZ3-CD2 3.62Å; W743-L747 HydrophobicContact CZ3-CG 4.43Å; W743-L747 WeakPolarHBondContact O-CB 3.31Å; W743-L747 PolarHBondContact O-N 2.69Å; I744-L747 PolarHBondContact O-N 2.9Å; L747-L750 CarbonylContact O-C 3.58Å; L747-L750 WeakPolarHBondContact O-CB 3.44Å; L747-L750 PolarHBondContact O-N 3.12Å; L747-L750 VanDerWaalsContact O-N 3.15Å; L747-V751 HydrophobicContact CD1-CG2 4.08Å; L747-V751 HydrophobicContact CG-CG2 4.3Å; L747-V751 WeakPolarHBondContact O-CG2 3.47Å; L747-V751 PolarHBondContact O-N 3.32Å
748	A	96.1	Very high	92.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-46.7	-179.7	0	0	0	0	0	112	F718 I744 L745 L750 V751 D752 T802 L803 V806	F718-A748 HydrophobicContact CD2-CB 4.31Å; F718-A748 HydrophobicContact CE2-CB 3.63Å; F718-A748 HydrophobicContact CZ-CB 4.1Å; I744-A748 WeakPolarHBondContact O-CB 3.44Å; I744-A748 PolarHBondContact O-N 3.37Å; L745-A748 PolarHBondContact O-N 3.19Å; A748-L750 VanDerWaalsContact C-N 3.26Å; A748-L750 PolarHBondContact O-N 3.11Å; A748-V751 PolarHBondContact O-N 2.76Å; A748-D752 PolarHBondContact O-N 2.95Å; A748-T802 PolarHBondContact O-OG1 3.36Å; A748-L803 HydrophobicContact CB-CB 4.31Å; A748-L803 HydrophobicContact CB-CD1 4.4Å; A748-V806 HydrophobicContact CB-CG2 3.57Å
749	F	95.3	Very high	92.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-41.2	172	174.1	-99.9	0	0	0	112.1	L659 M661 L745 D752 M753 F800 L803 Y816 K819 I820	L659-F749 HydrophobicContact CD2-CE1 4.36Å; M661-F749 HydrophobicContact CE-CD1 4.16Å; M661-F749 HydrophobicContact SD-CD1 3.85Å; M661-F749 HydrophobicContact SD-CE1 4.15Å; L745-F749 PolarHBondContact O-N 2.8Å; F749-D752 PolarHBondContact O-N 2.91Å; F749-M753 HydrophobicContact CD1-CG 4.22Å; F749-M753 HydrophobicContact CD2-CG 4.08Å; F749-M753 HydrophobicContact CE1-CG 3.72Å; F749-M753 HydrophobicContact CE2-CG 3.55Å; F749-M753 HydrophobicContact CE2-SD 4.13Å; F749-M753 HydrophobicContact CG-CG 4.4Å; F749-M753 HydrophobicContact CZ-CG 3.37Å; F749-M753 HydrophobicContact CZ-SD 4.15Å; F749-M753 WeakPolarHBondContact O-CB 3.1Å; F749-M753 WeakPolarHBondContact O-CG 3.34Å; F749-M753 PolarHBondContact O-N 2.92Å; F749-F800 HydrophobicContact CD2-CD1 4.01Å; F749-F800 AromaticContact CD2-CE1 3.83Å; F749-F800 HydrophobicContact CD2-CE1 3.83Å; F749-F800 HydrophobicContact CE2-CD1 4.26Å; F749-F800 AromaticContact CE2-CE1 3.6Å; F749-F800 HydrophobicContact CE2-CE1 3.6Å; F749-F800 HydrophobicContact CE2-CZ 4.25Å; F749-L803 HydrophobicContact CB-CD2 4.35Å; F749-L803 HydrophobicContact CD2-CD2 4.37Å; F749-Y816 HydrophobicContact CB-CD1 3.65Å; F749-Y816 HydrophobicContact CB-CD2 4.4Å; F749-Y816 HydrophobicContact CB-CE1 3.6Å; F749-Y816 HydrophobicContact CB-CE2 4.35Å; F749-Y816 HydrophobicContact CB-CG 4.09Å; F749-Y816 AromaticContact CD1-CD1 3.39Å; F749-Y816 HydrophobicContact CD1-CD1 3.39Å; F749-Y816 AromaticContact CD1-CE1 3.9Å; F749-Y816 HydrophobicContact CD1-CE1 3.9Å; F749-Y816 HydrophobicContact CD1-CG 4.16Å; F749-Y816 AromaticContact CD2-CD1 3.61Å; F749-Y816 HydrophobicContact CD2-CD1 3.61Å; F749-Y816 HydrophobicContact CD2-CD2 4.21Å; F749-Y816 HydrophobicContact CD2-CE1 4.44Å; F749-Y816 AromaticContact CD2-CG 3.5Å; F749-Y816 HydrophobicContact CD2-CG 3.5Å; F749-Y816 VanDerWaalsContact CD2-CG 3.5Å; F749-Y816 AromaticContact CE1-CD1 3.87Å; F749-Y816 HydrophobicContact CE1-CD1 3.87Å; F749-Y816 HydrophobicContact CE2-CD1 4.07Å; F749-Y816 AromaticContact CE2-CG 3.91Å; F749-Y816 HydrophobicContact CE2-CG 3.91Å; F749-Y816 AromaticContact CG-CD1 3.22Å; F749-Y816 HydrophobicContact CG-CD1 3.22Å; F749-Y816 HydrophobicContact CG-CD2 4.36Å; F749-Y816 AromaticContact CG-CE1 3.72Å; F749-Y816 HydrophobicContact CG-CE1 3.72Å; F749-Y816 AromaticContact CG-CG 3.63Å; F749-Y816 HydrophobicContact CG-CG 3.63Å; F749-Y816 HydrophobicContact CZ-CD1 4.17Å; F749-Y816 HydrophobicContact CZ-CG 4.38Å; F749-K819 HydrophobicContact CD1-CD 4.17Å; F749-K819 HydrophobicContact CE1-CB 4Å; F749-K819 HydrophobicContact CE1-CD 3.64Å; F749-K819 HydrophobicContact CE1-CG 4.46Å; F749-K819 HydrophobicContact CZ-CB 4.07Å; F749-K819 HydrophobicContact CZ-CD 4.45Å; F749-I820 HydrophobicContact CE2-CD1 4.01Å; F749-I820 HydrophobicContact CE2-CG1 4.36Å; F749-I820 HydrophobicContact CZ-CD1 3.86Å; F749-I820 HydrophobicContact CZ-CG1 4.3Å
750	L	92.4	Very high	91.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-68.1	-36.4	178.1	-173.2	60.6	0	0	0	112.6	L659 M661 V664 M665 L708 L714 D746 L747 A748 T754	L659-L750 HydrophobicContact CD1-CD1 3.86Å; M661-L750 HydrophobicContact CB-CD1 4.49Å; M661-L750 HydrophobicContact CB-CD2 4.12Å; M661-L750 HydrophobicContact CE-CB 4.23Å; M661-L750 HydrophobicContact SD-CB 4.08Å; M661-L750 HydrophobicContact SD-CD1 3.97Å; M661-L750 HydrophobicContact SD-CG 4.44Å; V664-L750 HydrophobicContact CB-CD2 4.1Å; V664-L750 HydrophobicContact CG1-CD2 3.83Å; M665-L750 HydrophobicContact CG-CD2 4.12Å; M665-L750 HydrophobicContact SD-CD2 3.7Å; L708-L750 HydrophobicContact CD2-CD1 4.04Å; L708-L750 HydrophobicContact CD2-CD2 4.33Å; L714-L750 HydrophobicContact CD1-CD2 4.49Å; L714-L750 HydrophobicContact CD1-CG 4.33Å; D746-L750 WeakPolarHBondContact O-CB 3.25Å; D746-L750 PolarHBondContact O-N 3.27Å; L747-L750 CarbonylContact O-C 3.58Å; L747-L750 WeakPolarHBondContact O-CB 3.44Å; L747-L750 PolarHBondContact O-N 3.12Å; L747-L750 VanDerWaalsContact O-N 3.15Å; A748-L750 VanDerWaalsContact C-N 3.26Å; A748-L750 PolarHBondContact O-N 3.11Å; L750-T754 HydrophobicContact CD1-CG2 4.06Å; L750-T754 HydrophobicContact CG-CG2 4.41Å; L750-T754 WeakPolarHBondContact O-CB 3.04Å; L750-T754 VanDerWaalsContact O-CG2 3.31Å; L750-T754 WeakPolarHBondContact O-CG2 3.37Å; L750-T754 PolarHBondContact O-N 3.19Å; L750-T754 PolarHBondContact O-OG1 3.48Å
751	V	92.8	Very high	91.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-45.5	173.7	173.9	0	0	0	0	110.9	L714 R715 F718 L747 A748 T754 T755 T802	L714-V751 HydrophobicContact CB-CG2 4.07Å; R715-V751 HydrophobicContact CB-CG1 3.86Å; R715-V751 HydrophobicContact CG-CG1 4.33Å; F718-V751 HydrophobicContact CB-CG2 3.89Å; F718-V751 HydrophobicContact CG-CG2 4.37Å; L747-V751 HydrophobicContact CD1-CG2 4.08Å; L747-V751 HydrophobicContact CG-CG2 4.3Å; L747-V751 WeakPolarHBondContact O-CG2 3.47Å; L747-V751 PolarHBondContact O-N 3.32Å; A748-V751 PolarHBondContact O-N 2.76Å; V751-T754 PolarHBondContact O-OG1 2.7Å; V751-T755 WeakPolarHBondContact O-CB 3.18Å; V751-T755 PolarHBondContact O-N 2.73Å; V751-T755 PolarHBondContact O-OG1 2.72Å; V751-T802 HydrophobicContact CG1-CG2 4.08Å
752	D	94.7	Very high	90.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-45.3	178	-70.2	-27.6	0	0	0	111.3	A748 F749 T755 H756 F800 P801 T802 L803	A748-D752 PolarHBondContact O-N 2.95Å; F749-D752 PolarHBondContact O-N 2.91Å; D752-T755 WeakPolarHBondContact O-CB 3.18Å; D752-T755 PolarHBondContact O-N 2.85Å; D752-H756 PolarHBondContact O-CD2 3.21Å; D752-H756 PolarHBondContact O-N 2.93Å; D752-F800 HydrophobicContact CB-CB 4.43Å; D752-F800 HydrophobicContact CB-CD1 3.9Å; D752-F800 WeakPolarHBondContact OD2-CA 3.42Å; D752-F800 WeakPolarHBondContact OD2-CB 3.43Å; D752-P801 VanDerWaalsContact OD1-CD 3.29Å; D752-P801 WeakPolarHBondContact OD1-CD 3.17Å; D752-P801 WeakPolarHBondContact OD1-CG 3.13Å; D752-T802 PolarHBondContact OD1-N 3.02Å; D752-T802 PolarHBondContact OD1-OG1 2.84Å; D752-T802 PolarHBondContact OD2-N 2.74Å; D752-T802 PolarHBondContact OD2-OG1 3.36Å; D752-T802 VanDerWaalsContact OD2-OG1 3.09Å; D752-L803 PolarHBondContact OD2-N 2.82Å
753	M	91.9	Very high	89.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.2	-40.2	179.1	-75.5	-56	-58.9	0	0	113.7	L659 F749 T755 H756 L757 L785 W788 F800 I820 L823	L659-M753 HydrophobicContact CD1-CB 4.21Å; F749-M753 HydrophobicContact CD1-CG 4.22Å; F749-M753 HydrophobicContact CD2-CG 4.08Å; F749-M753 HydrophobicContact CE1-CG 3.72Å; F749-M753 HydrophobicContact CE2-CG 3.55Å; F749-M753 HydrophobicContact CE2-SD 4.13Å; F749-M753 HydrophobicContact CG-CG 4.4Å; F749-M753 HydrophobicContact CZ-CG 3.37Å; F749-M753 HydrophobicContact CZ-SD 4.15Å; F749-M753 WeakPolarHBondContact O-CB 3.1Å; F749-M753 WeakPolarHBondContact O-CG 3.34Å; F749-M753 PolarHBondContact O-N 2.92Å; M753-T755 VanDerWaalsContact C-N 3.33Å; M753-H756 PolarHBondContact O-N 3.38Å; M753-L757 WeakPolarHBondContact O-CB 3.45Å; M753-L757 WeakPolarHBondContact O-CG 3.16Å; M753-L757 PolarHBondContact O-N 2.95Å; M753-L785 HydrophobicContact CE-CD2 4.28Å; M753-W788 HydrophobicContact CE-CZ3 4.29Å; M753-W788 HydrophobicContact SD-CE3 4.27Å; M753-W788 HydrophobicContact SD-CZ3 4.33Å; M753-F800 HydrophobicContact CG-CE1 4.21Å; M753-F800 HydrophobicContact SD-CE1 3.69Å; M753-F800 HydrophobicContact SD-CZ 4.28Å; M753-I820 HydrophobicContact CE-CD1 3.76Å; M753-I820 HydrophobicContact SD-CD1 3.53Å; M753-I820 VanDerWaalsContact SD-CD1 3.53Å; M753-L823 HydrophobicContact CE-CD2 3.37Å
754	T	87.3	Confident	88.8	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.4	-34.4	173.1	53.3	0	0	0	0	111.2	L708 G711 L714 L750 V751 L757 N758	L708-T754 HydrophobicContact CD2-CG2 4.17Å; L708-T754 WeakPolarHBondContact O-CG2 3.38Å; G711-T754 WeakPolarHBondContact CA-OG1 3.48Å; L714-T754 HydrophobicContact CD1-CG2 3.91Å; L750-T754 HydrophobicContact CD1-CG2 4.06Å; L750-T754 HydrophobicContact CG-CG2 4.41Å; L750-T754 WeakPolarHBondContact O-CB 3.04Å; L750-T754 VanDerWaalsContact O-CG2 3.31Å; L750-T754 WeakPolarHBondContact O-CG2 3.37Å; L750-T754 PolarHBondContact O-N 3.19Å; L750-T754 PolarHBondContact O-OG1 3.48Å; V751-T754 PolarHBondContact O-OG1 2.7Å; T754-L757 PolarHBondContact O-N 2.83Å; T754-N758 VanDerWaalsContact O-CB 3.26Å; T754-N758 WeakPolarHBondContact O-CB 3.4Å; T754-N758 PolarHBondContact O-N 3Å; T754-N758 PolarHBondContact O-OD1 3.06Å; T754-N758 VanDerWaalsContact O-OD1 3.06Å
755	T	89	Confident	87.5	Confident	39 Å²	39	21.5 Å²	21.5	24%	0.239	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-46.1	170.8	-59.6	0	0	0	0	111.6	R715 V751 D752 M753 T759	R715-T755 PolarHBondContact NH2-OG1 3.16Å; V751-T755 WeakPolarHBondContact O-CB 3.18Å; V751-T755 PolarHBondContact O-N 2.73Å; V751-T755 PolarHBondContact O-OG1 2.72Å; D752-T755 WeakPolarHBondContact O-CB 3.18Å; D752-T755 PolarHBondContact O-N 2.85Å; M753-T755 VanDerWaalsContact C-N 3.33Å; T755-T759 WeakPolarHBondContact O-CB 3.49Å; T755-T759 PolarHBondContact O-N 3.27Å; T755-T759 PolarHBondContact O-OG1 3.08Å
756	H	91.1	Very high	85.9	Confident	41 Å²	41	22.9 Å²	22.9	19%	0.19	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-42.3	177.7	-75.8	-52.5	0	0	0	112.9	D752 M753 T759 L760 F781 W788 H799	D752-H756 PolarHBondContact O-CD2 3.21Å; D752-H756 PolarHBondContact O-N 2.93Å; M753-H756 PolarHBondContact O-N 3.38Å; H756-T759 WeakPolarHBondContact O-CB 3.43Å; H756-T759 PolarHBondContact O-N 3.43Å; H756-L760 PolarHBondContact O-N 3.18Å; H756-F781 HydrophobicContact CB-CE2 4.27Å; H756-F781 HydrophobicContact CB-CZ 4.47Å; H756-W788 HydrophobicContact CB-CH2 3.6Å; H756-W788 HydrophobicContact CB-CZ2 4.45Å; H756-W788 HydrophobicContact CB-CZ3 4.06Å; H756-W788 AromaticContact CD2-CH2 3.73Å; H756-W788 AromaticContact CD2-CZ2 3.92Å; H756-W788 AromaticContact CE1-CZ2 3.63Å; H756-W788 AromaticContact CG-CH2 3.34Å; H756-W788 AromaticContact CG-CZ2 3.73Å; H756-W788 AromaticContact ND1-CH2 3.57Å; H756-W788 AromaticContact ND1-CZ2 3.54Å; H756-W788 AromaticContact NE2-CZ2 3.86Å; H756-H799 PolarHBondContact NE2-O 3.42Å
757	L	85.6	Confident	84.3	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-38.4	178.8	-75.3	165.2	0	0	0	111.9	P651 C655 M753 T754 T759 L760 D761 F781 L823 F827	P651-L757 HydrophobicContact CB-CB 4.04Å; C655-L757 WeakPolarHBondContact SG-CD1 3.42Å; M753-L757 WeakPolarHBondContact O-CB 3.45Å; M753-L757 WeakPolarHBondContact O-CG 3.16Å; M753-L757 PolarHBondContact O-N 2.95Å; T754-L757 PolarHBondContact O-N 2.83Å; L757-T759 VanDerWaalsContact C-N 3.27Å; L757-T759 PolarHBondContact O-N 3.34Å; L757-L760 WeakPolarHBondContact O-CB 3.37Å; L757-L760 PolarHBondContact O-N 2.76Å; L757-D761 WeakPolarHBondContact O-CB 3.5Å; L757-D761 PolarHBondContact O-N 3.18Å; L757-F781 HydrophobicContact CD2-CE1 3.73Å; L757-F781 HydrophobicContact CD2-CE2 4.48Å; L757-F781 HydrophobicContact CD2-CZ 3.54Å; L757-F781 HydrophobicContact CG-CZ 4.01Å; L757-L823 HydrophobicContact CD1-CD2 4.26Å; L757-F827 HydrophobicContact CD2-CE2 3.89Å; L757-F827 HydrophobicContact CD2-CZ 3.86Å
758	N	80.6	Confident	82.9	Confident	37 Å²	37	31.7 Å²	31.7	20%	0.198	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-31.2	170.9	-75.1	27.8	0	0	0	112.5	G709 T754 D761 A762	G709-N758 PolarHBondContact O-ND2 2.95Å; G709-N758 PolarHBondContact O-OD1 3.24Å; T754-N758 VanDerWaalsContact O-CB 3.26Å; T754-N758 WeakPolarHBondContact O-CB 3.4Å; T754-N758 PolarHBondContact O-N 3Å; T754-N758 PolarHBondContact O-OD1 3.06Å; T754-N758 VanDerWaalsContact O-OD1 3.06Å; N758-D761 WeakPolarHBondContact O-CB 3.39Å; N758-D761 PolarHBondContact O-N 3.36Å; N758-A762 PolarHBondContact O-N 2.92Å
759	T	86	Confident	81.8	Confident	77 Å²	77	32.7 Å²	32.7	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-70.4	-37.1	174.5	-56.2	0	0	0	0	111.4	T755 H756 L757 S763	T755-T759 WeakPolarHBondContact O-CB 3.49Å; T755-T759 PolarHBondContact O-N 3.27Å; T755-T759 PolarHBondContact O-OG1 3.08Å; H756-T759 WeakPolarHBondContact O-CB 3.43Å; H756-T759 PolarHBondContact O-N 3.43Å; L757-T759 VanDerWaalsContact C-N 3.27Å; L757-T759 PolarHBondContact O-N 3.34Å; T759-S763 PolarHBondContact O-N 2.81Å; T759-S763 PolarHBondContact O-OG 2.92Å
760	L	84.5	Confident	81.4	Confident	13 Å²	13	33.1 Å²	33.1	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-48.2	168.8	176	65.2	0	0	0	110.7	H756 L757 A762 S763 L764 F777 F781 F827	H756-L760 PolarHBondContact O-N 3.18Å; L757-L760 WeakPolarHBondContact O-CB 3.37Å; L757-L760 PolarHBondContact O-N 2.76Å; L760-A762 PolarHBondContact O-N 3.39Å; L760-S763 CarbonylContact O-C 3.25Å; L760-S763 VanDerWaalsContact O-CA 3.29Å; L760-S763 WeakPolarHBondContact O-CA 3.33Å; L760-S763 VanDerWaalsContact O-CB 3.23Å; L760-S763 WeakPolarHBondContact O-CB 3.38Å; L760-S763 PolarHBondContact O-N 3.02Å; L760-L764 HydrophobicContact CD1-CD1 3.9Å; L760-L764 HydrophobicContact CD1-CD2 4.01Å; L760-L764 HydrophobicContact CD1-CG 3.85Å; L760-L764 HydrophobicContact CD2-CD1 4.12Å; L760-L764 HydrophobicContact CG-CD1 3.68Å; L760-L764 HydrophobicContact CG-CG 4.04Å; L760-L764 WeakPolarHBondContact O-CG 3.39Å; L760-L764 PolarHBondContact O-N 2.89Å; L760-F777 HydrophobicContact CD1-CB 4.36Å; L760-F781 HydrophobicContact CB-CD2 3.83Å; L760-F781 HydrophobicContact CB-CE2 3.97Å; L760-F781 HydrophobicContact CB-CG 4.47Å; L760-F781 HydrophobicContact CD1-CB 4.08Å; L760-F781 HydrophobicContact CD1-CD2 4.29Å; L760-F781 HydrophobicContact CD1-CG 4.33Å; L760-F781 HydrophobicContact CD2-CB 4.12Å; L760-F781 HydrophobicContact CD2-CD1 3.93Å; L760-F781 HydrophobicContact CD2-CD2 3.92Å; L760-F781 HydrophobicContact CD2-CE1 4.32Å; L760-F781 HydrophobicContact CD2-CE2 4.31Å; L760-F781 HydrophobicContact CD2-CG 3.71Å; L760-F781 HydrophobicContact CD2-CZ 4.5Å; L760-F781 HydrophobicContact CG-CD2 4.22Å; L760-F781 HydrophobicContact CG-CG 4.39Å; L760-F827 HydrophobicContact CD2-CE1 3.68Å; L760-F827 HydrophobicContact CD2-CZ 3.6Å
761	D	77.7	Confident	81.1	Confident	30 Å²	30	33 Å²	33	16%	0.16	20%	0.202	C	C	.	.	H	α-helix	trans	-51.7	-56.1	-178.9	-165.1	43.6	0	0	0	112.1	I649 P651 L757 N758 S763 L764 Q765	I649-D761 WeakPolarHBondContact CG2-OD1 3.22Å; P651-D761 HydrophobicContact CG-CB 3.97Å; L757-D761 WeakPolarHBondContact O-CB 3.5Å; L757-D761 PolarHBondContact O-N 3.18Å; N758-D761 WeakPolarHBondContact O-CB 3.39Å; N758-D761 PolarHBondContact O-N 3.36Å; D761-S763 PolarHBondContact O-N 2.99Å; D761-S763 VanDerWaalsContact O-N 3.13Å; D761-L764 PolarHBondContact O-N 2.91Å; D761-Q765 VanDerWaalsContact O-CG 3.31Å; D761-Q765 WeakPolarHBondContact O-CG 3.46Å; D761-Q765 PolarHBondContact O-N 3.11Å; D761-Q765 PolarHBondContact OD1-NE2 3.07Å; D761-Q765 PolarHBondContact OD2-NE2 3.03Å
762	A	78.2	Confident	80.9	Confident	73 Å²	73	33.2 Å²	33.2	60%	0.603	20%	0.204	S	C	*	.	H	α-helix	trans	-60.4	-24.3	174.8	0	0	0	0	0	113.6	N758 L760	N758-A762 PolarHBondContact O-N 2.92Å; L760-A762 PolarHBondContact O-N 3.39Å
763	S	81.5	Confident	80.6	Confident	42 Å²	42	36.8 Å²	36.8	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-79.4	-27.5	172.9	-54.1	0	0	0	0	112.9	T759 L760 D761 Q769 F777	T759-S763 PolarHBondContact O-N 2.81Å; T759-S763 PolarHBondContact O-OG 2.92Å; L760-S763 CarbonylContact O-C 3.25Å; L760-S763 VanDerWaalsContact O-CA 3.29Å; L760-S763 WeakPolarHBondContact O-CA 3.33Å; L760-S763 VanDerWaalsContact O-CB 3.23Å; L760-S763 WeakPolarHBondContact O-CB 3.38Å; L760-S763 PolarHBondContact O-N 3.02Å; D761-S763 PolarHBondContact O-N 2.99Å; D761-S763 VanDerWaalsContact O-N 3.13Å; S763-Q769 PolarHBondContact O-NE2 3.36Å; S763-F777 WeakPolarHBondContact O-CD2 3.29Å; S763-F777 WeakPolarHBondContact O-CE2 3.5Å
764	L	76.1	Confident	80.2	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-89.7	-23.1	179	-57.9	173.8	0	0	0	112.9	I648 I649 L760 D761 G766 M774 F777 I778	I648-L764 HydrophobicContact CG2-CD1 4.44Å; I649-L764 HydrophobicContact CD1-CB 3.51Å; I649-L764 WeakPolarHBondContact CD1-O 3.3Å; I649-L764 HydrophobicContact CG1-CB 3.79Å; I649-L764 HydrophobicContact CG1-CD1 4.01Å; L760-L764 HydrophobicContact CD1-CD1 3.9Å; L760-L764 HydrophobicContact CD1-CD2 4.01Å; L760-L764 HydrophobicContact CD1-CG 3.85Å; L760-L764 HydrophobicContact CD2-CD1 4.12Å; L760-L764 HydrophobicContact CG-CD1 3.68Å; L760-L764 HydrophobicContact CG-CG 4.04Å; L760-L764 WeakPolarHBondContact O-CG 3.39Å; L760-L764 PolarHBondContact O-N 2.89Å; D761-L764 PolarHBondContact O-N 2.91Å; L764-G766 VanDerWaalsContact C-N 3.34Å; L764-M774 HydrophobicContact CD2-CG 3.41Å; L764-M774 VanDerWaalsContact CD2-CG 3.41Å; L764-M774 HydrophobicContact CD2-SD 4.41Å; L764-F777 HydrophobicContact CD2-CB 3.81Å; L764-F777 HydrophobicContact CD2-CD2 4.37Å; L764-I778 HydrophobicContact CD2-CG1 4.02Å
765	Q	69.1	Low	80.1	Confident	63 Å²	63	37.1 Å²	37.1	29%	0.294	22%	0.221	S	C	.	.	S	Bend	trans	-84	1.2	-179.1	-69.1	179.7	9.4	0	0	114.8	I649 D761 H767 H910	I649-Q765 HydrophobicContact CG2-CG 3.84Å; D761-Q765 VanDerWaalsContact O-CG 3.31Å; D761-Q765 WeakPolarHBondContact O-CG 3.46Å; D761-Q765 PolarHBondContact O-N 3.11Å; D761-Q765 PolarHBondContact OD1-NE2 3.07Å; D761-Q765 PolarHBondContact OD2-NE2 3.03Å; Q765-H767 PolarHBondContact O-N 3.43Å; Q765-H910 VanDerWaalsContact CD-CE1 3.43Å
766	G	63.3	Low	80	Confident	31 Å²	31	38.5 Å²	38.5	32%	0.32	23%	0.227	S	C	.	.			trans	-62.6	132.5	-176.9	0	0	0	0	0	113.1	L764 Q769	L764-G766 VanDerWaalsContact C-N 3.34Å; G766-Q769 VanDerWaalsContact O-CG 3.31Å; G766-Q769 WeakPolarHBondContact O-CG 3.48Å
767	H	62.1	Low	79.8	Confident	104 Å²	104	40.2 Å²	40.2	48%	0.481	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	147.9	176.8	-66.6	-65.1	0	0	0	112.5	Q765 Q769	Q765-H767 PolarHBondContact O-N 3.43Å; H767-Q769 PolarHBondContact O-N 3.13Å
768	S	66.2	Low	79.7	Confident	107 Å²	107	40.1 Å²	40.1	75%	0.748	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	19.3	176.2	-51.6	0	0	0	0	115.9
769	Q	73.2	Confident	80.1	Confident	22 Å²	22	43.8 Å²	43.8	10%	0.103	25%	0.245	C	C	.	.			trans	-64.7	154	174.3	-76.2	-174.6	19	0	0	112.9	R562 S763 G766 H767	R562-Q769 PolarHBondContact NH1-O 2.88Å; R562-Q769 PolarHBondContact NH2-O 3Å; R562-Q769 VanDerWaalsContact NH2-O 3.15Å; S763-Q769 PolarHBondContact O-NE2 3.36Å; G766-Q769 VanDerWaalsContact O-CG 3.31Å; G766-Q769 WeakPolarHBondContact O-CG 3.48Å; H767-Q769 PolarHBondContact O-N 3.13Å
770	I	86.3	Confident	80.5	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.041	24%	0.241	C	C	.	.			trans	-107.6	152.8	172.3	53.7	177.7	0	0	0	109.8	T772 Q773 M774 F844 V881 P882 L903	I770-T772 WeakPolarHBondContact CD1-OG1 3.48Å; I770-T772 PolarHBondContact O-N 3.02Å; I770-T772 VanDerWaalsContact O-N 3.09Å; I770-Q773 HydrophobicContact CD1-CG 4.14Å; I770-Q773 HydrophobicContact CG1-CB 4.19Å; I770-Q773 VanDerWaalsContact CG1-CD 3.5Å; I770-Q773 HydrophobicContact CG1-CG 3.65Å; I770-Q773 PolarHBondContact O-N 3.31Å; I770-M774 PolarHBondContact O-N 3.48Å; I770-F844 HydrophobicContact CD1-CE1 4.26Å; I770-V881 HydrophobicContact CD1-CG1 3.73Å; I770-P882 HydrophobicContact CG2-CG 4.44Å; I770-L903 HydrophobicContact CG2-CD2 4.15Å
771	V	86.2	Confident	80.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-53.4	-33.7	-175.1	61	0	0	0	0	113.8	M774 Y775 F834 L841 M905	V771-M774 PolarHBondContact O-N 2.99Å; V771-Y775 WeakPolarHBondContact O-CB 3.31Å; V771-Y775 PolarHBondContact O-N 2.95Å; V771-F834 HydrophobicContact CG2-CD1 4.34Å; V771-F834 HydrophobicContact CG2-CE1 3.55Å; V771-F834 HydrophobicContact CG2-CZ 4.39Å; V771-L841 HydrophobicContact CB-CD2 4.49Å; V771-L841 HydrophobicContact CG1-CD2 3.64Å; V771-L841 HydrophobicContact CG2-CD2 4.16Å; V771-M905 HydrophobicContact CB-CB 4.09Å; V771-M905 HydrophobicContact CG1-CB 4.07Å; V771-M905 HydrophobicContact CG1-SD 4.41Å; V771-M905 HydrophobicContact CG2-CB 4.38Å; V771-M905 HydrophobicContact CG2-CE 4.29Å
772	T	89.1	Confident	81.4	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-40.3	177.9	51.4	0	0	0	0	113.6	I770 M774 Y775 D776 L841 F844 S845	I770-T772 WeakPolarHBondContact CD1-OG1 3.48Å; I770-T772 PolarHBondContact O-N 3.02Å; I770-T772 VanDerWaalsContact O-N 3.09Å; T772-M774 VanDerWaalsContact C-N 3.31Å; T772-M774 PolarHBondContact O-N 2.73Å; T772-Y775 WeakPolarHBondContact O-CB 3.44Å; T772-Y775 PolarHBondContact O-N 2.98Å; T772-D776 PolarHBondContact O-N 3.24Å; T772-L841 HydrophobicContact CG2-CB 3.97Å; T772-L841 HydrophobicContact CG2-CD2 3.56Å; T772-L841 HydrophobicContact CG2-CG 4.35Å; T772-F844 HydrophobicContact CG2-CD1 3.79Å; T772-F844 HydrophobicContact CG2-CE1 4.35Å; T772-S845 WeakPolarHBondContact CB-OG 3.49Å; T772-S845 WeakPolarHBondContact CG2-OG 3.46Å; T772-S845 PolarHBondContact OG1-OG 3.25Å
773	Q	86.9	Confident	82.2	Confident	75 Å²	75	40.8 Å²	40.8	35%	0.35	23%	0.23	S	C	.	.	H	α-helix	trans	-61	-42.6	175.4	-71.6	169.1	-6.5	0	0	110.9	I770 D776 F777	I770-Q773 HydrophobicContact CD1-CG 4.14Å; I770-Q773 HydrophobicContact CG1-CB 4.19Å; I770-Q773 VanDerWaalsContact CG1-CD 3.5Å; I770-Q773 HydrophobicContact CG1-CG 3.65Å; I770-Q773 PolarHBondContact O-N 3.31Å; Q773-D776 PolarHBondContact O-N 3.06Å; Q773-F777 HydrophobicContact CB-CE2 4.34Å; Q773-F777 WeakPolarHBondContact O-CD2 3.31Å; Q773-F777 WeakPolarHBondContact O-CG 3.33Å; Q773-F777 PolarHBondContact O-N 3.1Å
774	M	83.4	Confident	83	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-47.7	175.2	-164.9	-159.8	55.7	0	0	111.4	L764 I770 V771 T772 D776 F777 I778 F834 S907	L764-M774 HydrophobicContact CD2-CG 3.41Å; L764-M774 VanDerWaalsContact CD2-CG 3.41Å; L764-M774 HydrophobicContact CD2-SD 4.41Å; I770-M774 PolarHBondContact O-N 3.48Å; V771-M774 PolarHBondContact O-N 2.99Å; T772-M774 VanDerWaalsContact C-N 3.31Å; T772-M774 PolarHBondContact O-N 2.73Å; M774-D776 VanDerWaalsContact C-N 3.28Å; M774-D776 PolarHBondContact O-N 2.82Å; M774-F777 PolarHBondContact O-N 2.97Å; M774-F777 VanDerWaalsContact O-N 3.17Å; M774-I778 HydrophobicContact CE-CD1 3.71Å; M774-I778 HydrophobicContact CG-CD1 3.88Å; M774-I778 VanDerWaalsContact O-CD1 3.32Å; M774-I778 WeakPolarHBondContact O-CD1 3.23Å; M774-I778 VanDerWaalsContact O-CG1 3.29Å; M774-I778 WeakPolarHBondContact O-CG1 3.47Å; M774-I778 PolarHBondContact O-N 3.12Å; M774-I778 HydrophobicContact SD-CD1 4.04Å; M774-F834 HydrophobicContact CE-CE1 4.34Å; M774-F834 HydrophobicContact CE-CE2 3.79Å; M774-F834 HydrophobicContact CE-CZ 3.41Å; M774-F834 VanDerWaalsContact CE-CZ 3.41Å; M774-S907 WeakPolarHBondContact CE-O 3.27Å
775	Y	85.5	Confident	83.8	Confident	8 Å²	8	43 Å²	43	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-55.5	-42.3	177.4	176.8	-101.1	0	0	0	112	V771 T772 I778 R779 L831 F834 E838 L841	V771-Y775 WeakPolarHBondContact O-CB 3.31Å; V771-Y775 PolarHBondContact O-N 2.95Å; T772-Y775 WeakPolarHBondContact O-CB 3.44Å; T772-Y775 PolarHBondContact O-N 2.98Å; Y775-I778 PolarHBondContact O-N 3.13Å; Y775-R779 HydrophobicContact CE1-CG 4.37Å; Y775-R779 VanDerWaalsContact CZ-CD 3.49Å; Y775-R779 WeakPolarHBondContact O-CG 3.48Å; Y775-R779 PolarHBondContact O-N 2.82Å; Y775-L831 HydrophobicContact CD2-CD1 3.49Å; Y775-L831 VanDerWaalsContact CD2-CD1 3.49Å; Y775-L831 HydrophobicContact CD2-CG 4.41Å; Y775-L831 HydrophobicContact CE2-CD1 3.6Å; Y775-L831 HydrophobicContact CE2-CD2 4.34Å; Y775-L831 HydrophobicContact CE2-CG 4.03Å; Y775-F834 HydrophobicContact CD2-CB 3.5Å; Y775-F834 HydrophobicContact CD2-CD1 4.28Å; Y775-F834 HydrophobicContact CD2-CD2 4.47Å; Y775-F834 AromaticContact CD2-CG 3.85Å; Y775-F834 HydrophobicContact CD2-CG 3.85Å; Y775-F834 HydrophobicContact CE2-CB 3.52Å; Y775-F834 HydrophobicContact CE2-CG 4.36Å; Y775-E838 VanDerWaalsContact OH-CG 3.23Å; Y775-E838 WeakPolarHBondContact OH-CG 3.36Å; Y775-E838 PolarHBondContact OH-OE1 3.39Å; Y775-E838 PolarHBondContact OH-OE2 2.84Å; Y775-L841 HydrophobicContact CD1-CD1 4.46Å; Y775-L841 HydrophobicContact CD2-CD1 4.16Å; Y775-L841 HydrophobicContact CE2-CD1 4.48Å; Y775-L841 HydrophobicContact CG-CD1 4.17Å
776	D	87.7	Confident	85.1	Confident	68 Å²	68	42.5 Å²	42.5	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-70.4	-37.2	176	-72.4	-36.3	0	0	0	113.4	T772 Q773 M774 I778 R779 A780	T772-D776 PolarHBondContact O-N 3.24Å; Q773-D776 PolarHBondContact O-N 3.06Å; M774-D776 VanDerWaalsContact C-N 3.28Å; M774-D776 PolarHBondContact O-N 2.82Å; D776-I778 VanDerWaalsContact C-N 3.3Å; D776-I778 PolarHBondContact O-N 2.91Å; D776-R779 PolarHBondContact O-N 2.82Å; D776-R779 IonicContact OD1-NH1 2.72Å; D776-R779 PolarHBondContact OD1-NH1 3.15Å; D776-A780 VanDerWaalsContact O-CB 3.31Å; D776-A780 WeakPolarHBondContact O-CB 3.35Å; D776-A780 PolarHBondContact O-N 3.15Å
777	F	87	Confident	86.8	Confident	76 Å²	76	44.5 Å²	44.5	33%	0.333	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-39.6	171.5	-68.7	-48.3	0	0	0	112.1	L760 S763 L764 Q773 M774 A780 F781	L760-F777 HydrophobicContact CD1-CB 4.36Å; S763-F777 WeakPolarHBondContact O-CD2 3.29Å; S763-F777 WeakPolarHBondContact O-CE2 3.5Å; L764-F777 HydrophobicContact CD2-CB 3.81Å; L764-F777 HydrophobicContact CD2-CD2 4.37Å; Q773-F777 HydrophobicContact CB-CE2 4.34Å; Q773-F777 WeakPolarHBondContact O-CD2 3.31Å; Q773-F777 WeakPolarHBondContact O-CG 3.33Å; Q773-F777 PolarHBondContact O-N 3.1Å; M774-F777 PolarHBondContact O-N 2.97Å; M774-F777 VanDerWaalsContact O-N 3.17Å; F777-A780 PolarHBondContact O-N 3.46Å; F777-F781 PolarHBondContact O-N 3.2Å
778	I	84.2	Confident	88.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.7	-40	178.7	-59.9	153.3	0	0	0	111.1	I648 L764 M774 Y775 D776 F781 L782 F827 L831	I648-I778 HydrophobicContact CB-CD1 4.34Å; I648-I778 HydrophobicContact CD1-CD1 3.42Å; I648-I778 VanDerWaalsContact CD1-CD1 3.42Å; I648-I778 HydrophobicContact CD1-CG1 4.36Å; I648-I778 HydrophobicContact CG1-CD1 4.38Å; I648-I778 HydrophobicContact CG2-CD1 4.19Å; I648-I778 HydrophobicContact CG2-CG1 4.18Å; L764-I778 HydrophobicContact CD2-CG1 4.02Å; M774-I778 HydrophobicContact CE-CD1 3.71Å; M774-I778 HydrophobicContact CG-CD1 3.88Å; M774-I778 VanDerWaalsContact O-CD1 3.32Å; M774-I778 WeakPolarHBondContact O-CD1 3.23Å; M774-I778 VanDerWaalsContact O-CG1 3.29Å; M774-I778 WeakPolarHBondContact O-CG1 3.47Å; M774-I778 PolarHBondContact O-N 3.12Å; M774-I778 HydrophobicContact SD-CD1 4.04Å; Y775-I778 PolarHBondContact O-N 3.13Å; D776-I778 VanDerWaalsContact C-N 3.3Å; D776-I778 PolarHBondContact O-N 2.91Å; I778-F781 PolarHBondContact O-N 3.49Å; I778-L782 PolarHBondContact O-N 3.44Å; I778-F827 HydrophobicContact CG2-CD1 4.15Å; I778-L831 HydrophobicContact CB-CD1 4.24Å; I778-L831 HydrophobicContact CG2-CD1 3.9Å; I778-L831 HydrophobicContact CG2-CD2 4.49Å
779	R	88.8	Confident	89.9	Confident	114 Å²	114	36.8 Å²	36.8	43%	0.43	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-42.8	172.1	-75.5	170.7	75.4	-147.4	17	111.8	Y775 D776 F781 L782 A783 L831	Y775-R779 HydrophobicContact CE1-CG 4.37Å; Y775-R779 VanDerWaalsContact CZ-CD 3.49Å; Y775-R779 WeakPolarHBondContact O-CG 3.48Å; Y775-R779 PolarHBondContact O-N 2.82Å; D776-R779 PolarHBondContact O-N 2.82Å; D776-R779 IonicContact OD1-NH1 2.72Å; D776-R779 PolarHBondContact OD1-NH1 3.15Å; R779-F781 VanDerWaalsContact C-N 3.28Å; R779-F781 PolarHBondContact O-N 3.2Å; R779-L782 PolarHBondContact O-N 2.95Å; R779-A783 WeakPolarHBondContact O-CB 3.31Å; R779-A783 PolarHBondContact O-N 3.16Å; R779-L831 HydrophobicContact CG-CD2 3.83Å
780	A	93	Very high	91	Very high	46 Å²	46	38.8 Å²	38.8	38%	0.38	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-34.7	174.2	0	0	0	0	0	112	D776 F777 K784	D776-A780 VanDerWaalsContact O-CB 3.31Å; D776-A780 WeakPolarHBondContact O-CB 3.35Å; D776-A780 PolarHBondContact O-N 3.15Å; F777-A780 PolarHBondContact O-N 3.46Å; A780-K784 VanDerWaalsContact O-CG 3.25Å; A780-K784 WeakPolarHBondContact O-CG 3.36Å; A780-K784 PolarHBondContact O-N 3.07Å; A780-K784 VanDerWaalsContact O-N 3.08Å
781	F	90.9	Very high	91.4	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-72.2	-39.7	174	-160.3	-97.6	0	0	0	113	H756 L757 L760 F777 I778 R779 A783 K784 L785 W788 F827	H756-F781 HydrophobicContact CB-CE2 4.27Å; H756-F781 HydrophobicContact CB-CZ 4.47Å; L757-F781 HydrophobicContact CD2-CE1 3.73Å; L757-F781 HydrophobicContact CD2-CE2 4.48Å; L757-F781 HydrophobicContact CD2-CZ 3.54Å; L757-F781 HydrophobicContact CG-CZ 4.01Å; L760-F781 HydrophobicContact CB-CD2 3.83Å; L760-F781 HydrophobicContact CB-CE2 3.97Å; L760-F781 HydrophobicContact CB-CG 4.47Å; L760-F781 HydrophobicContact CD1-CB 4.08Å; L760-F781 HydrophobicContact CD1-CD2 4.29Å; L760-F781 HydrophobicContact CD1-CG 4.33Å; L760-F781 HydrophobicContact CD2-CB 4.12Å; L760-F781 HydrophobicContact CD2-CD1 3.93Å; L760-F781 HydrophobicContact CD2-CD2 3.92Å; L760-F781 HydrophobicContact CD2-CE1 4.32Å; L760-F781 HydrophobicContact CD2-CE2 4.31Å; L760-F781 HydrophobicContact CD2-CG 3.71Å; L760-F781 HydrophobicContact CD2-CZ 4.5Å; L760-F781 HydrophobicContact CG-CD2 4.22Å; L760-F781 HydrophobicContact CG-CG 4.39Å; F777-F781 PolarHBondContact O-N 3.2Å; I778-F781 PolarHBondContact O-N 3.49Å; R779-F781 VanDerWaalsContact C-N 3.28Å; R779-F781 PolarHBondContact O-N 3.2Å; F781-A783 VanDerWaalsContact C-N 3.35Å; F781-A783 PolarHBondContact O-N 3.21Å; F781-K784 HydrophobicContact CD2-CD 4.46Å; F781-K784 WeakPolarHBondContact O-CB 3.46Å; F781-K784 PolarHBondContact O-N 2.69Å; F781-L785 HydrophobicContact CD1-CD1 3.74Å; F781-L785 HydrophobicContact CD1-CG 4.02Å; F781-L785 HydrophobicContact CE1-CD1 3.77Å; F781-L785 HydrophobicContact CE1-CD2 4.07Å; F781-L785 HydrophobicContact CE1-CG 3.9Å; F781-L785 WeakPolarHBondContact O-CG 3.43Å; F781-L785 PolarHBondContact O-N 3.38Å; F781-W788 AromaticContact CE2-CH2 3.96Å; F781-W788 HydrophobicContact CE2-CH2 3.96Å; F781-W788 HydrophobicContact CE2-CZ3 4.22Å; F781-W788 HydrophobicContact CZ-CH2 4.21Å; F781-W788 AromaticContact CZ-CZ3 3.99Å; F781-W788 HydrophobicContact CZ-CZ3 3.99Å; F781-F827 HydrophobicContact CD1-CD2 4.16Å; F781-F827 HydrophobicContact CD1-CE1 4.3Å; F781-F827 AromaticContact CD1-CE2 3.79Å; F781-F827 HydrophobicContact CD1-CE2 3.79Å; F781-F827 AromaticContact CD1-CZ 3.87Å; F781-F827 HydrophobicContact CD1-CZ 3.87Å; F781-F827 HydrophobicContact CE1-CD2 4.2Å; F781-F827 AromaticContact CE1-CE2 3.56Å; F781-F827 HydrophobicContact CE1-CE2 3.56Å; F781-F827 AromaticContact CE1-CZ 3.88Å; F781-F827 HydrophobicContact CE1-CZ 3.88Å
782	L	91	Very high	91.9	Very high	19 Å²	19	39.6 Å²	39.6	10%	0.099	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-41.7	171.8	-82.5	172.9	0	0	0	112.2	I778 R779 K784 L785 C786 K824 F827 Q828 L831	I778-L782 PolarHBondContact O-N 3.44Å; R779-L782 PolarHBondContact O-N 2.95Å; L782-K784 VanDerWaalsContact C-N 3.32Å; L782-K784 PolarHBondContact O-N 2.63Å; L782-L785 HydrophobicContact CD2-CD1 4.32Å; L782-L785 PolarHBondContact O-N 3.22Å; L782-C786 PolarHBondContact O-N 3.34Å; L782-C786 PolarHBondContact O-SG 3.29Å; L782-C786 VanDerWaalsContact O-SG 3.34Å; L782-K824 HydrophobicContact CD2-CG 4.26Å; L782-F827 HydrophobicContact CD2-CB 3.5Å; L782-F827 HydrophobicContact CG-CB 4.02Å; L782-Q828 HydrophobicContact CD1-CG 4.17Å; L782-Q828 HydrophobicContact CD2-CG 3.74Å; L782-L831 HydrophobicContact CD1-CB 4.34Å; L782-L831 HydrophobicContact CD1-CD2 3.59Å
783	A	95.6	Very high	92.2	Very high	61 Å²	61	42.2 Å²	42.2	50%	0.504	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-39.4	174	0	0	0	0	0	112	R779 F781 L787	R779-A783 WeakPolarHBondContact O-CB 3.31Å; R779-A783 PolarHBondContact O-N 3.16Å; F781-A783 VanDerWaalsContact C-N 3.35Å; F781-A783 PolarHBondContact O-N 3.21Å; A783-L787 WeakPolarHBondContact O-CB 3.28Å; A783-L787 PolarHBondContact O-N 3.5Å
784	K	96.6	Very high	92.5	Very high	94 Å²	94	48.1 Å²	48.1	41%	0.409	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-44.3	172.1	-71.5	167.7	-167.4	176.1	0	112.1	A780 F781 L782 C786 L787 W788	A780-K784 VanDerWaalsContact O-CG 3.25Å; A780-K784 WeakPolarHBondContact O-CG 3.36Å; A780-K784 PolarHBondContact O-N 3.07Å; A780-K784 VanDerWaalsContact O-N 3.08Å; F781-K784 HydrophobicContact CD2-CD 4.46Å; F781-K784 WeakPolarHBondContact O-CB 3.46Å; F781-K784 PolarHBondContact O-N 2.69Å; L782-K784 VanDerWaalsContact C-N 3.32Å; L782-K784 PolarHBondContact O-N 2.63Å; K784-C786 PolarHBondContact O-N 3.02Å; K784-L787 WeakPolarHBondContact O-CB 3.35Å; K784-L787 PolarHBondContact O-N 3.15Å; K784-L787 VanDerWaalsContact O-N 3.16Å; K784-W788 HydrophobicContact CB-CD2 4.36Å; K784-W788 HydrophobicContact CB-CH2 3.91Å; K784-W788 HydrophobicContact CB-CZ2 3.66Å; K784-W788 HydrophobicContact CB-CZ3 4.39Å; K784-W788 HydrophobicContact CD-CH2 4.33Å; K784-W788 HydrophobicContact CD-CZ2 4.1Å; K784-W788 HydrophobicContact CG-CZ2 4.18Å; K784-W788 WeakPolarHBondContact O-CB 3.09Å; K784-W788 PolarHBondContact O-N 2.83Å
785	L	94.6	Very high	92.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-45.4	176.8	-71.3	168.6	0	0	0	111.6	M753 F781 L782 L787 W788 E789 I820 L823 K824 F827	M753-L785 HydrophobicContact CE-CD2 4.28Å; F781-L785 HydrophobicContact CD1-CD1 3.74Å; F781-L785 HydrophobicContact CD1-CG 4.02Å; F781-L785 HydrophobicContact CE1-CD1 3.77Å; F781-L785 HydrophobicContact CE1-CD2 4.07Å; F781-L785 HydrophobicContact CE1-CG 3.9Å; F781-L785 WeakPolarHBondContact O-CG 3.43Å; F781-L785 PolarHBondContact O-N 3.38Å; L782-L785 HydrophobicContact CD2-CD1 4.32Å; L782-L785 PolarHBondContact O-N 3.22Å; L785-L787 VanDerWaalsContact C-N 3.33Å; L785-L787 PolarHBondContact O-N 2.9Å; L785-W788 HydrophobicContact CD2-CE3 3.86Å; L785-W788 HydrophobicContact CD2-CZ3 3.98Å; L785-W788 HydrophobicContact CG-CE3 4.49Å; L785-W788 HydrophobicContact CG-CZ3 4.5Å; L785-W788 PolarHBondContact O-N 3Å; L785-E789 WeakPolarHBondContact O-CB 3.27Å; L785-E789 PolarHBondContact O-N 2.83Å; L785-I820 HydrophobicContact CB-CG2 4.41Å; L785-I820 HydrophobicContact CD2-CD1 4.34Å; L785-I820 HydrophobicContact CD2-CG2 4.17Å; L785-I820 WeakPolarHBondContact O-CG2 3.48Å; L785-L823 HydrophobicContact CD1-CG 4.36Å; L785-L823 HydrophobicContact CD2-CD2 3.86Å; L785-L823 HydrophobicContact CD2-CG 4.31Å; L785-K824 HydrophobicContact CB-CB 4.37Å; L785-K824 HydrophobicContact CD1-CB 4.45Å; L785-F827 HydrophobicContact CD1-CB 4.49Å; L785-F827 HydrophobicContact CD1-CD2 3.78Å; L785-F827 HydrophobicContact CD1-CE2 4.4Å; L785-F827 HydrophobicContact CD1-CG 4.4Å
786	C	96.3	Very high	93.3	Very high	53 Å²	53	52.6 Å²	52.6	36%	0.358	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-40.7	173.6	-65.2	0	0	0	0	112.3	L782 K784 T790	L782-C786 PolarHBondContact O-N 3.34Å; L782-C786 PolarHBondContact O-SG 3.29Å; L782-C786 VanDerWaalsContact O-SG 3.34Å; K784-C786 PolarHBondContact O-N 3.02Å; C786-T790 PolarHBondContact O-N 3.47Å
787	L	97.6	Very high	93.6	Very high	72 Å²	72	49.8 Å²	49.8	38%	0.377	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-47.2	175.2	-175.2	67.2	0	0	0	111	A783 K784 L785 E789 T790 H791	A783-L787 WeakPolarHBondContact O-CB 3.28Å; A783-L787 PolarHBondContact O-N 3.5Å; K784-L787 WeakPolarHBondContact O-CB 3.35Å; K784-L787 PolarHBondContact O-N 3.15Å; K784-L787 VanDerWaalsContact O-N 3.16Å; L785-L787 VanDerWaalsContact C-N 3.33Å; L785-L787 PolarHBondContact O-N 2.9Å; L787-E789 VanDerWaalsContact C-N 3.34Å; L787-E789 PolarHBondContact O-N 2.7Å; L787-T790 PolarHBondContact O-N 3.09Å; L787-T790 PolarHBondContact O-OG1 3.25Å; L787-H791 WeakPolarHBondContact CD1-NE2 3.43Å; L787-H791 WeakPolarHBondContact O-CB 3.43Å; L787-H791 PolarHBondContact O-CD2 2.62Å; L787-H791 VanDerWaalsContact O-CD2 3.28Å; L787-H791 PolarHBondContact O-N 3.3Å
788	W	97.2	Very high	94	Very high	6 Å²	6	49 Å²	49	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-37.7	-179.5	-62.7	-16.5	0	0	0	112.8	M753 H756 F781 K784 L785 H791 L792 H799 F800	M753-W788 HydrophobicContact CE-CZ3 4.29Å; M753-W788 HydrophobicContact SD-CE3 4.27Å; M753-W788 HydrophobicContact SD-CZ3 4.33Å; H756-W788 HydrophobicContact CB-CH2 3.6Å; H756-W788 HydrophobicContact CB-CZ2 4.45Å; H756-W788 HydrophobicContact CB-CZ3 4.06Å; H756-W788 AromaticContact CD2-CH2 3.73Å; H756-W788 AromaticContact CD2-CZ2 3.92Å; H756-W788 AromaticContact CE1-CZ2 3.63Å; H756-W788 AromaticContact CG-CH2 3.34Å; H756-W788 AromaticContact CG-CZ2 3.73Å; H756-W788 AromaticContact ND1-CH2 3.57Å; H756-W788 AromaticContact ND1-CZ2 3.54Å; H756-W788 AromaticContact NE2-CZ2 3.86Å; F781-W788 AromaticContact CE2-CH2 3.96Å; F781-W788 HydrophobicContact CE2-CH2 3.96Å; F781-W788 HydrophobicContact CE2-CZ3 4.22Å; F781-W788 HydrophobicContact CZ-CH2 4.21Å; F781-W788 AromaticContact CZ-CZ3 3.99Å; F781-W788 HydrophobicContact CZ-CZ3 3.99Å; K784-W788 HydrophobicContact CB-CD2 4.36Å; K784-W788 HydrophobicContact CB-CH2 3.91Å; K784-W788 HydrophobicContact CB-CZ2 3.66Å; K784-W788 HydrophobicContact CB-CZ3 4.39Å; K784-W788 HydrophobicContact CD-CH2 4.33Å; K784-W788 HydrophobicContact CD-CZ2 4.1Å; K784-W788 HydrophobicContact CG-CZ2 4.18Å; K784-W788 WeakPolarHBondContact O-CB 3.09Å; K784-W788 PolarHBondContact O-N 2.83Å; L785-W788 HydrophobicContact CD2-CE3 3.86Å; L785-W788 HydrophobicContact CD2-CZ3 3.98Å; L785-W788 HydrophobicContact CG-CE3 4.49Å; L785-W788 HydrophobicContact CG-CZ3 4.5Å; L785-W788 PolarHBondContact O-N 3Å; W788-H791 PolarHBondContact O-N 3.45Å; W788-L792 WeakPolarHBondContact O-CB 3.46Å; W788-L792 VanDerWaalsContact O-CG 3.28Å; W788-L792 WeakPolarHBondContact O-CG 3.49Å; W788-L792 PolarHBondContact O-N 3.4Å; W788-H799 AromaticContact CD1-CD2 3.49Å; W788-H799 VanDerWaalsContact CD1-CD2 3.49Å; W788-H799 AromaticContact CD1-CG 3.76Å; W788-H799 AromaticContact NE1-CD2 3.57Å; W788-H799 AromaticContact NE1-CG 3.47Å; W788-F800 HydrophobicContact CB-CE2 3.96Å; W788-F800 HydrophobicContact CB-CZ 3.91Å; W788-F800 HydrophobicContact CD2-CZ 4.36Å; W788-F800 HydrophobicContact CG-CE2 4.11Å; W788-F800 HydrophobicContact CG-CZ 4.07Å
789	E	96.6	Very high	94.6	Very high	44 Å²	44	52 Å²	52	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-50.4	170.9	-175.8	178.1	168.5	0	0	111.4	L785 L787 H791 A793 I817 I820 V821 K824	L785-E789 WeakPolarHBondContact O-CB 3.27Å; L785-E789 PolarHBondContact O-N 2.83Å; L787-E789 VanDerWaalsContact C-N 3.34Å; L787-E789 PolarHBondContact O-N 2.7Å; E789-H791 VanDerWaalsContact C-N 3.3Å; E789-H791 PolarHBondContact O-N 3.02Å; E789-A793 WeakPolarHBondContact O-CB 3.28Å; E789-A793 PolarHBondContact O-N 3.23Å; E789-I817 HydrophobicContact CG-CG2 4.34Å; E789-I820 HydrophobicContact CB-CG2 3.99Å; E789-V821 HydrophobicContact CG-CG2 4.25Å; E789-K824 IonicContact OE1-NZ 3.72Å; E789-K824 PolarHBondContact OE1-NZ 3.46Å; E789-K824 WeakPolarHBondContact OE2-CD 3.46Å; E789-K824 VanDerWaalsContact OE2-CE 3.27Å; E789-K824 WeakPolarHBondContact OE2-CE 3.17Å; E789-K824 IonicContact OE2-NZ 3.8Å; E789-K824 PolarHBondContact OE2-NZ 3.21Å
790	T	96.2	Very high	95	Very high	63 Å²	63	46.5 Å²	46.5	39%	0.387	26%	0.261	S	S	.	.	H	α-helix	trans	-69.6	-25.1	176.4	66.2	0	0	0	0	114	C786 L787 R794	C786-T790 PolarHBondContact O-N 3.47Å; L787-T790 PolarHBondContact O-N 3.09Å; L787-T790 PolarHBondContact O-OG1 3.25Å; T790-R794 WeakPolarHBondContact O-CD 3.49Å; T790-R794 WeakPolarHBondContact O-CG 3.48Å
791	H	96	Very high	95.2	Very high	26 Å²	26	48 Å²	48	12%	0.12	27%	0.267	C	S	.	.	H	α-helix	trans	-76.6	-47.9	176.2	-86.6	-142.1	0	0	0	111.3	L787 W788 E789 A793 R794 N795 N796 H799	L787-H791 WeakPolarHBondContact CD1-NE2 3.43Å; L787-H791 WeakPolarHBondContact O-CB 3.43Å; L787-H791 PolarHBondContact O-CD2 2.62Å; L787-H791 VanDerWaalsContact O-CD2 3.28Å; L787-H791 PolarHBondContact O-N 3.3Å; W788-H791 PolarHBondContact O-N 3.45Å; E789-H791 VanDerWaalsContact C-N 3.3Å; E789-H791 PolarHBondContact O-N 3.02Å; H791-A793 VanDerWaalsContact C-N 3.29Å; H791-A793 PolarHBondContact O-N 3.06Å; H791-R794 CarbonylContact O-C 3.22Å; H791-R794 VanDerWaalsContact O-C 3.32Å; H791-R794 WeakPolarHBondContact O-CA 3.48Å; H791-R794 PolarHBondContact O-N 3.29Å; H791-N795 PolarHBondContact O-N 2.98Å; H791-N795 VanDerWaalsContact O-N 3.1Å; H791-N796 HydrophobicContact CB-CB 4.06Å; H791-N796 PolarHBondContact CE1-ND2 3.32Å; H791-N796 VanDerWaalsContact CE1-ND2 3.29Å; H791-N796 PolarHBondContact ND1-ND2 2.87Å; H791-N796 PolarHBondContact O-N 3.44Å; H791-H799 AromaticContact CE1-CD2 3.69Å; H791-H799 AromaticContact CE1-NE2 3.41Å; H791-H799 PolarHBondContact CE1-NE2 3.2Å; H791-H799 AromaticContact ND1-CD2 3.37Å; H791-H799 PolarHBondContact ND1-CD2 3.39Å; H791-H799 AromaticContact ND1-NE2 3.61Å
792	L	96.2	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-39.9	174.8	-70.1	171	0	0	0	111.1	W788 R794 N795 L797 F800 L814 I817 I820	W788-L792 WeakPolarHBondContact O-CB 3.46Å; W788-L792 VanDerWaalsContact O-CG 3.28Å; W788-L792 WeakPolarHBondContact O-CG 3.49Å; W788-L792 PolarHBondContact O-N 3.4Å; L792-R794 PolarHBondContact O-N 3.5Å; L792-R794 VanDerWaalsContact O-N 3.08Å; L792-N795 PolarHBondContact O-N 3.25Å; L792-L797 HydrophobicContact CD2-CD2 3.86Å; L792-F800 HydrophobicContact CD1-CE2 4.06Å; L792-F800 HydrophobicContact CD1-CZ 3.96Å; L792-F800 HydrophobicContact CD2-CD2 3.91Å; L792-F800 HydrophobicContact CD2-CE2 3.75Å; L792-F800 HydrophobicContact CD2-CZ 4.27Å; L792-F800 HydrophobicContact CG-CD2 4.44Å; L792-F800 HydrophobicContact CG-CE2 3.8Å; L792-F800 HydrophobicContact CG-CZ 4.22Å; L792-L814 WeakPolarHBondContact O-CD2 3.41Å; L792-I817 HydrophobicContact CB-CD1 4.4Å; L792-I817 HydrophobicContact CB-CG1 3.71Å; L792-I820 HydrophobicContact CD1-CG1 3.64Å
793	A	94.8	Very high	95.7	Very high	59 Å²	59	47.7 Å²	47.7	49%	0.488	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.3	172.2	0	0	0	0	0	114.9	E789 H791 I817	E789-A793 WeakPolarHBondContact O-CB 3.28Å; E789-A793 PolarHBondContact O-N 3.23Å; H791-A793 VanDerWaalsContact C-N 3.29Å; H791-A793 PolarHBondContact O-N 3.06Å; A793-I817 HydrophobicContact CB-CD1 3.93Å
794	R	93	Very high	95.7	Very high	199 Å²	199	51.1 Å²	51.1	75%	0.751	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	14.4	174.4	-63.2	171.6	-179.9	171.7	0.1	112.1	T790 H791 L792 N796	T790-R794 WeakPolarHBondContact O-CD 3.49Å; T790-R794 WeakPolarHBondContact O-CG 3.48Å; H791-R794 CarbonylContact O-C 3.22Å; H791-R794 VanDerWaalsContact O-C 3.32Å; H791-R794 WeakPolarHBondContact O-CA 3.48Å; H791-R794 PolarHBondContact O-N 3.29Å; L792-R794 PolarHBondContact O-N 3.5Å; L792-R794 VanDerWaalsContact O-N 3.08Å; R794-N796 PolarHBondContact O-N 3.27Å
795	N	90.7	Very high	95.7	Very high	35 Å²	35	50.7 Å²	50.7	19%	0.187	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	27.8	-169.8	-153.8	56.4	0	0	0	115.3	H791 L792 L797 S809 E810 G813	H791-N795 PolarHBondContact O-N 2.98Å; H791-N795 VanDerWaalsContact O-N 3.1Å; L792-N795 PolarHBondContact O-N 3.25Å; N795-L797 PolarHBondContact O-N 2.84Å; N795-S809 PolarHBondContact ND2-O 2.98Å; N795-S809 VanDerWaalsContact ND2-O 3.16Å; N795-E810 WeakPolarHBondContact CB-O 3.31Å; N795-E810 WeakPolarHBondContact ND2-CA 3.22Å; N795-G813 WeakPolarHBondContact OD1-CA 3.45Å; N795-G813 PolarHBondContact OD1-N 2.99Å
796	N	94.5	Very high	95.7	Very high	67 Å²	67	52.3 Å²	52.3	36%	0.358	29%	0.288	S	S	.	.			trans	-81.9	81	179.3	-176.5	1.3	0	0	0	110.8	H791 R794 A798	H791-N796 HydrophobicContact CB-CB 4.06Å; H791-N796 PolarHBondContact CE1-ND2 3.32Å; H791-N796 VanDerWaalsContact CE1-ND2 3.29Å; H791-N796 PolarHBondContact ND1-ND2 2.87Å; H791-N796 PolarHBondContact O-N 3.44Å; R794-N796 PolarHBondContact O-N 3.27Å; N796-A798 PolarHBondContact O-N 3.12Å; N796-A798 WeakPolarHBondContact OD1-CB 3.48Å; N796-A798 PolarHBondContact OD1-N 2.74Å
797	L	95.7	Very high	95.6	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.042	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-72.5	18.3	-178.6	-50.8	-177	0	0	0	114.3	L792 N795 H799 F800 L803 K804 S807	L792-L797 HydrophobicContact CD2-CD2 3.86Å; N795-L797 PolarHBondContact O-N 2.84Å; L797-H799 PolarHBondContact O-N 3.39Å; L797-H799 VanDerWaalsContact O-N 3.11Å; L797-F800 CarbonylContact O-C 3.48Å; L797-F800 PolarHBondContact O-N 2.93Å; L797-L803 HydrophobicContact CD1-CG 4.24Å; L797-L803 HydrophobicContact CD2-CD2 4Å; L797-L803 HydrophobicContact CD2-CG 4.47Å; L797-K804 HydrophobicContact CB-CB 3.75Å; L797-K804 HydrophobicContact CB-CD 4.42Å; L797-K804 HydrophobicContact CB-CG 4.1Å; L797-K804 HydrophobicContact CD1-CB 4.36Å; L797-S807 VanDerWaalsContact CD1-CB 3.42Å; L797-S807 WeakPolarHBondContact CD1-OG 3.49Å
798	A	95.2	Very high	95.2	Very high	59 Å²	59	58 Å²	58	49%	0.488	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-61.8	-19.2	-178.5	0	0	0	0	0	115	N796	N796-A798 PolarHBondContact O-N 3.12Å; N796-A798 WeakPolarHBondContact OD1-CB 3.48Å; N796-A798 PolarHBondContact OD1-N 2.74Å
799	H	96.4	Very high	94.8	Very high	63 Å²	63	59.7 Å²	59.7	29%	0.292	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-103.7	2.3	174.3	-59.1	-48.8	0	0	0	113.6	H756 W788 H791 L797 P801	H756-H799 PolarHBondContact NE2-O 3.42Å; W788-H799 AromaticContact CD1-CD2 3.49Å; W788-H799 VanDerWaalsContact CD1-CD2 3.49Å; W788-H799 AromaticContact CD1-CG 3.76Å; W788-H799 AromaticContact NE1-CD2 3.57Å; W788-H799 AromaticContact NE1-CG 3.47Å; H791-H799 AromaticContact CE1-CD2 3.69Å; H791-H799 AromaticContact CE1-NE2 3.41Å; H791-H799 PolarHBondContact CE1-NE2 3.2Å; H791-H799 AromaticContact ND1-CD2 3.37Å; H791-H799 PolarHBondContact ND1-CD2 3.39Å; H791-H799 AromaticContact ND1-NE2 3.61Å; L797-H799 PolarHBondContact O-N 3.39Å; L797-H799 VanDerWaalsContact O-N 3.11Å; H799-P801 WeakPolarHBondContact O-CD 3.4Å
800	F	96.9	Very high	94.2	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.344	C	S	.	.			trans	-124.7	72	-179.5	-61.9	-87.1	0	0	0	108.7	F749 D752 M753 W788 L792 L797 T802 L803 K804 I820	F749-F800 HydrophobicContact CD2-CD1 4.01Å; F749-F800 AromaticContact CD2-CE1 3.83Å; F749-F800 HydrophobicContact CD2-CE1 3.83Å; F749-F800 HydrophobicContact CE2-CD1 4.26Å; F749-F800 AromaticContact CE2-CE1 3.6Å; F749-F800 HydrophobicContact CE2-CE1 3.6Å; F749-F800 HydrophobicContact CE2-CZ 4.25Å; D752-F800 HydrophobicContact CB-CB 4.43Å; D752-F800 HydrophobicContact CB-CD1 3.9Å; D752-F800 WeakPolarHBondContact OD2-CA 3.42Å; D752-F800 WeakPolarHBondContact OD2-CB 3.43Å; M753-F800 HydrophobicContact CG-CE1 4.21Å; M753-F800 HydrophobicContact SD-CE1 3.69Å; M753-F800 HydrophobicContact SD-CZ 4.28Å; W788-F800 HydrophobicContact CB-CE2 3.96Å; W788-F800 HydrophobicContact CB-CZ 3.91Å; W788-F800 HydrophobicContact CD2-CZ 4.36Å; W788-F800 HydrophobicContact CG-CE2 4.11Å; W788-F800 HydrophobicContact CG-CZ 4.07Å; L792-F800 HydrophobicContact CD1-CE2 4.06Å; L792-F800 HydrophobicContact CD1-CZ 3.96Å; L792-F800 HydrophobicContact CD2-CD2 3.91Å; L792-F800 HydrophobicContact CD2-CE2 3.75Å; L792-F800 HydrophobicContact CD2-CZ 4.27Å; L792-F800 HydrophobicContact CG-CD2 4.44Å; L792-F800 HydrophobicContact CG-CE2 3.8Å; L792-F800 HydrophobicContact CG-CZ 4.22Å; L797-F800 CarbonylContact O-C 3.48Å; L797-F800 PolarHBondContact O-N 2.93Å; F800-T802 PolarHBondContact O-N 3.49Å; F800-L803 HydrophobicContact CB-CB 3.85Å; F800-L803 HydrophobicContact CB-CD2 4.28Å; F800-L803 PolarHBondContact O-N 3.44Å; F800-K804 WeakPolarHBondContact O-CB 3.47Å; F800-K804 PolarHBondContact O-N 3.46Å; F800-I820 HydrophobicContact CZ-CD1 4.31Å
801	P	96.6	Very high	93.9	Very high	78 Å²	78	65.6 Å²	65.6	51%	0.506	34%	0.343	S	S	.	.	H	α-helix	trans	-65.7	-32.9	-169.8	26	-35.3	0	0	0	114.2	D752 H799 S805	D752-P801 VanDerWaalsContact OD1-CD 3.29Å; D752-P801 WeakPolarHBondContact OD1-CD 3.17Å; D752-P801 WeakPolarHBondContact OD1-CG 3.13Å; H799-P801 WeakPolarHBondContact O-CD 3.4Å; P801-S805 PolarHBondContact O-N 3.05Å
802	T	96.2	Very high	93.7	Very high	14 Å²	14	64.7 Å²	64.7	9%	0.086	34%	0.34	C	S	.	.	H	α-helix	trans	-80.2	-39.2	175.6	58.3	0	0	0	0	111.3	F718 A748 V751 D752 F800 K804 S805 V806	F718-T802 HydrophobicContact CD1-CG2 4.01Å; F718-T802 HydrophobicContact CE1-CG2 3.77Å; F718-T802 HydrophobicContact CZ-CG2 4.49Å; A748-T802 PolarHBondContact O-OG1 3.36Å; V751-T802 HydrophobicContact CG1-CG2 4.08Å; D752-T802 PolarHBondContact OD1-N 3.02Å; D752-T802 PolarHBondContact OD1-OG1 2.84Å; D752-T802 PolarHBondContact OD2-N 2.74Å; D752-T802 PolarHBondContact OD2-OG1 3.36Å; D752-T802 VanDerWaalsContact OD2-OG1 3.09Å; F800-T802 PolarHBondContact O-N 3.49Å; T802-K804 PolarHBondContact O-N 3.01Å; T802-S805 PolarHBondContact O-N 3.37Å; T802-S805 PolarHBondContact O-OG 2.92Å; T802-V806 WeakPolarHBondContact O-CG2 3.17Å; T802-V806 PolarHBondContact O-N 3.19Å
803	L	96.5	Very high	93.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-40	171.9	-176.2	60.8	0	0	0	110.8	L745 A748 F749 D752 L797 F800 S805 V806 S807 Y816	L745-L803 HydrophobicContact CB-CD1 4.18Å; L745-L803 HydrophobicContact CD2-CD1 3.75Å; L745-L803 WeakPolarHBondContact O-CD1 3.33Å; A748-L803 HydrophobicContact CB-CB 4.31Å; A748-L803 HydrophobicContact CB-CD1 4.4Å; F749-L803 HydrophobicContact CB-CD2 4.35Å; F749-L803 HydrophobicContact CD2-CD2 4.37Å; D752-L803 PolarHBondContact OD2-N 2.82Å; L797-L803 HydrophobicContact CD1-CG 4.24Å; L797-L803 HydrophobicContact CD2-CD2 4Å; L797-L803 HydrophobicContact CD2-CG 4.47Å; F800-L803 HydrophobicContact CB-CB 3.85Å; F800-L803 HydrophobicContact CB-CD2 4.28Å; F800-L803 PolarHBondContact O-N 3.44Å; L803-S805 VanDerWaalsContact C-N 3.27Å; L803-S805 PolarHBondContact O-N 3.31Å; L803-V806 PolarHBondContact O-N 3.19Å; L803-S807 WeakPolarHBondContact O-CB 3.45Å; L803-S807 PolarHBondContact O-N 3.21Å; L803-Y816 HydrophobicContact CD1-CE2 3.87Å; L803-Y816 HydrophobicContact CD2-CD2 3.71Å; L803-Y816 HydrophobicContact CD2-CE2 3.93Å
804	K	96.2	Very high	93.5	Very high	133 Å²	133	65.6 Å²	65.6	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-61.9	-29.1	175.2	-172.1	175.5	176.9	-177.5	0	113.6	L797 F800 T802	L797-K804 HydrophobicContact CB-CB 3.75Å; L797-K804 HydrophobicContact CB-CD 4.42Å; L797-K804 HydrophobicContact CB-CG 4.1Å; L797-K804 HydrophobicContact CD1-CB 4.36Å; F800-K804 WeakPolarHBondContact O-CB 3.47Å; F800-K804 PolarHBondContact O-N 3.46Å; T802-K804 PolarHBondContact O-N 3.01Å
805	S	95.5	Very high	93.5	Very high	85 Å²	85	60.8 Å²	60.8	59%	0.594	33%	0.325	S	S	*	.	H	α-helix	trans	-80.5	-17.6	179.5	65.5	0	0	0	0	113.8	P801 T802 L803	P801-S805 PolarHBondContact O-N 3.05Å; T802-S805 PolarHBondContact O-N 3.37Å; T802-S805 PolarHBondContact O-OG 2.92Å; L803-S805 VanDerWaalsContact C-N 3.27Å; L803-S805 PolarHBondContact O-N 3.31Å
806	V	95.3	Very high	93.7	Very high	35 Å²	35	59.3 Å²	59.3	21%	0.212	32%	0.317	C	S	.	.	H	α-helix	trans	-112.3	-17.3	177.8	-69.5	0	0	0	0	114.4	F718 I744 L745 A748 T802 L803	F718-V806 HydrophobicContact CE2-CG1 4.04Å; F718-V806 HydrophobicContact CE2-CG2 4.43Å; F718-V806 HydrophobicContact CZ-CG1 3.82Å; F718-V806 HydrophobicContact CZ-CG2 4.45Å; I744-V806 HydrophobicContact CG2-CB 4.02Å; I744-V806 HydrophobicContact CG2-CG1 3.69Å; I744-V806 HydrophobicContact CG2-CG2 4.21Å; L745-V806 HydrophobicContact CD2-CB 4.5Å; L745-V806 HydrophobicContact CD2-CG2 3.97Å; A748-V806 HydrophobicContact CB-CG2 3.57Å; T802-V806 WeakPolarHBondContact O-CG2 3.17Å; T802-V806 PolarHBondContact O-N 3.19Å; L803-V806 PolarHBondContact O-N 3.19Å
807	S	94.1	Very high	93.8	Very high	28 Å²	28	58 Å²	58	20%	0.196	31%	0.309	C	S	.	.			trans	-56.3	134.5	172.8	-179.9	0	0	0	0	112	L797 L803 S809 D812	L797-S807 VanDerWaalsContact CD1-CB 3.42Å; L797-S807 WeakPolarHBondContact CD1-OG 3.49Å; L803-S807 WeakPolarHBondContact O-CB 3.45Å; L803-S807 PolarHBondContact O-N 3.21Å; S807-S809 PolarHBondContact OG-O 2.91Å; S807-D812 WeakPolarHBondContact CA-OD2 3.45Å; S807-D812 PolarHBondContact OG-OD2 2.96Å
808	R	90.3	Very high	93.7	Very high	215 Å²	215	61.7 Å²	61.7	81%	0.811	33%	0.334	S	S	*	.			trans	-129.8	-12.8	177.3	-60.2	-174.9	-172.7	-178.7	2.2	113.8	D812	R808-D812 PolarHBondContact N-OD2 3.35Å
809	S	88.5	Confident	93.6	Very high	43 Å²	43	60.7 Å²	60.7	30%	0.301	32%	0.319	S	S	.	.	S	Bend	trans	-106.9	156	174.8	-166.4	0	0	0	0	111.8	N795 S807 S811 D812	N795-S809 PolarHBondContact ND2-O 2.98Å; N795-S809 VanDerWaalsContact ND2-O 3.16Å; S807-S809 PolarHBondContact OG-O 2.91Å; S809-S811 WeakPolarHBondContact CB-OG 3.42Å; S809-S811 PolarHBondContact O-N 2.96Å; S809-S811 PolarHBondContact OG-N 2.77Å; S809-S811 VanDerWaalsContact OG-N 3.15Å; S809-S811 PolarHBondContact OG-OG 3.02Å; S809-D812 WeakPolarHBondContact CB-OD1 3.36Å; S809-D812 PolarHBondContact N-OD2 2.91Å
810	E	83.3	Confident	93.5	Very high	177 Å²	177	57.7 Å²	57.7	83%	0.827	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.1	163.5	-61.3	-164.7	153.4	0	0	112.8	N795	N795-E810 WeakPolarHBondContact CB-O 3.31Å; N795-E810 WeakPolarHBondContact ND2-CA 3.22Å
811	S	90	Very high	93.4	Very high	53 Å²	53	60.4 Å²	60.4	37%	0.371	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-12.9	176.8	65.2	0	0	0	0	115.2	S809 G813 L814	S809-S811 WeakPolarHBondContact CB-OG 3.42Å; S809-S811 PolarHBondContact O-N 2.96Å; S809-S811 PolarHBondContact OG-N 2.77Å; S809-S811 VanDerWaalsContact OG-N 3.15Å; S809-S811 PolarHBondContact OG-OG 3.02Å; S811-G813 VanDerWaalsContact C-N 3.27Å; S811-G813 PolarHBondContact O-N 3.37Å; S811-L814 WeakPolarHBondContact O-CB 3.37Å; S811-L814 WeakPolarHBondContact O-CG 3.14Å; S811-L814 PolarHBondContact O-N 3Å
812	D	92.5	Very high	93.1	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.043	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-32.5	-165.9	-72.4	-13.8	0	0	0	112.6	R741 L745 S807 R808 S809 L814 Y816	R741-D812 IonicContact CZ-OD1 3.66Å; R741-D812 IonicContact CZ-OD2 2.68Å; R741-D812 IonicContact NH2-OD1 2.73Å; R741-D812 PolarHBondContact NH2-OD1 2.85Å; R741-D812 IonicContact NH2-OD2 3.91Å; R741-D812 PolarHBondContact NH2-OD2 3.32Å; L745-D812 HydrophobicContact CD1-CB 4.42Å; L745-D812 HydrophobicContact CD2-CB 4.37Å; S807-D812 WeakPolarHBondContact CA-OD2 3.45Å; S807-D812 PolarHBondContact OG-OD2 2.96Å; R808-D812 PolarHBondContact N-OD2 3.35Å; S809-D812 WeakPolarHBondContact CB-OD1 3.36Å; S809-D812 PolarHBondContact N-OD2 2.91Å; D812-L814 PolarHBondContact O-N 2.99Å; D812-Y816 WeakPolarHBondContact O-CD2 3.36Å; D812-Y816 VanDerWaalsContact O-CE2 3.26Å; D812-Y816 WeakPolarHBondContact O-CE2 3.49Å
813	G	91.5	Very high	92.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.5	175.5	0	0	0	0	0	114.9	N795 S811 N815 Y816	N795-G813 WeakPolarHBondContact OD1-CA 3.45Å; N795-G813 PolarHBondContact OD1-N 2.99Å; S811-G813 VanDerWaalsContact C-N 3.27Å; S811-G813 PolarHBondContact O-N 3.37Å; G813-N815 VanDerWaalsContact C-N 3.26Å; G813-N815 PolarHBondContact O-N 3.33Å; G813-Y816 PolarHBondContact O-N 2.88Å
814	L	94.6	Very high	92.5	Very high	78 Å²	78	59.9 Å²	59.9	41%	0.408	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-63.4	-35	-175.2	-59.6	176.3	0	0	0	112	L792 S811 D812 Y816 I817	L792-L814 WeakPolarHBondContact O-CD2 3.41Å; S811-L814 WeakPolarHBondContact O-CB 3.37Å; S811-L814 WeakPolarHBondContact O-CG 3.14Å; S811-L814 PolarHBondContact O-N 3Å; D812-L814 PolarHBondContact O-N 2.99Å; L814-Y816 PolarHBondContact O-N 2.9Å; L814-I817 HydrophobicContact CB-CD1 4.45Å; L814-I817 HydrophobicContact CD2-CD1 3.9Å; L814-I817 WeakPolarHBondContact O-CG1 3.42Å; L814-I817 PolarHBondContact O-N 3.19Å
815	N	93.4	Very high	92.2	Very high	98 Å²	98	55.9 Å²	55.9	52%	0.524	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-55.5	-25	179.2	-63.7	-16.7	0	0	0	113.4	G813	G813-N815 VanDerWaalsContact C-N 3.26Å; G813-N815 PolarHBondContact O-N 3.33Å
816	Y	95.3	Very high	91.7	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.012	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-97.1	-10.8	-172.8	-60.4	-66.7	0	0	0	114.5	L745 D746 F749 L803 D812 G813 L814 K819 I820	L745-Y816 VanDerWaalsContact C-OH 3.25Å; L745-Y816 WeakPolarHBondContact CB-OH 3.15Å; D746-Y816 PolarHBondContact N-OH 3.49Å; D746-Y816 WeakPolarHBondContact OD1-CE1 3.22Å; D746-Y816 VanDerWaalsContact OD1-CZ 3.27Å; D746-Y816 PolarHBondContact OD1-OH 2.85Å; F749-Y816 HydrophobicContact CB-CD1 3.65Å; F749-Y816 HydrophobicContact CB-CD2 4.4Å; F749-Y816 HydrophobicContact CB-CE1 3.6Å; F749-Y816 HydrophobicContact CB-CE2 4.35Å; F749-Y816 HydrophobicContact CB-CG 4.09Å; F749-Y816 AromaticContact CD1-CD1 3.39Å; F749-Y816 HydrophobicContact CD1-CD1 3.39Å; F749-Y816 AromaticContact CD1-CE1 3.9Å; F749-Y816 HydrophobicContact CD1-CE1 3.9Å; F749-Y816 HydrophobicContact CD1-CG 4.16Å; F749-Y816 AromaticContact CD2-CD1 3.61Å; F749-Y816 HydrophobicContact CD2-CD1 3.61Å; F749-Y816 HydrophobicContact CD2-CD2 4.21Å; F749-Y816 HydrophobicContact CD2-CE1 4.44Å; F749-Y816 AromaticContact CD2-CG 3.5Å; F749-Y816 HydrophobicContact CD2-CG 3.5Å; F749-Y816 VanDerWaalsContact CD2-CG 3.5Å; F749-Y816 AromaticContact CE1-CD1 3.87Å; F749-Y816 HydrophobicContact CE1-CD1 3.87Å; F749-Y816 HydrophobicContact CE2-CD1 4.07Å; F749-Y816 AromaticContact CE2-CG 3.91Å; F749-Y816 HydrophobicContact CE2-CG 3.91Å; F749-Y816 AromaticContact CG-CD1 3.22Å; F749-Y816 HydrophobicContact CG-CD1 3.22Å; F749-Y816 HydrophobicContact CG-CD2 4.36Å; F749-Y816 AromaticContact CG-CE1 3.72Å; F749-Y816 HydrophobicContact CG-CE1 3.72Å; F749-Y816 AromaticContact CG-CG 3.63Å; F749-Y816 HydrophobicContact CG-CG 3.63Å; F749-Y816 HydrophobicContact CZ-CD1 4.17Å; F749-Y816 HydrophobicContact CZ-CG 4.38Å; L803-Y816 HydrophobicContact CD1-CE2 3.87Å; L803-Y816 HydrophobicContact CD2-CD2 3.71Å; L803-Y816 HydrophobicContact CD2-CE2 3.93Å; D812-Y816 WeakPolarHBondContact O-CD2 3.36Å; D812-Y816 VanDerWaalsContact O-CE2 3.26Å; D812-Y816 WeakPolarHBondContact O-CE2 3.49Å; G813-Y816 PolarHBondContact O-N 2.88Å; L814-Y816 PolarHBondContact O-N 2.9Å; Y816-K819 HydrophobicContact CD1-CD 4.28Å; Y816-K819 PolarHBondContact O-N 2.87Å; Y816-K819 VanDerWaalsContact O-N 3.11Å; Y816-I820 PolarHBondContact O-N 3.43Å; Y816-I820 VanDerWaalsContact O-N 3.15Å
817	I	95.6	Very high	91.1	Very high	39 Å²	39	50.5 Å²	50.5	20%	0.2	27%	0.265	C	S	.	.	H	α-helix	trans	-54.2	-45.8	178	-61.7	168.2	0	0	0	111.9	E789 L792 A793 L814 K819 I820 V821	E789-I817 HydrophobicContact CG-CG2 4.34Å; L792-I817 HydrophobicContact CB-CD1 4.4Å; L792-I817 HydrophobicContact CB-CG1 3.71Å; A793-I817 HydrophobicContact CB-CD1 3.93Å; L814-I817 HydrophobicContact CB-CD1 4.45Å; L814-I817 HydrophobicContact CD2-CD1 3.9Å; L814-I817 WeakPolarHBondContact O-CG1 3.42Å; L814-I817 PolarHBondContact O-N 3.19Å; I817-K819 VanDerWaalsContact C-N 3.29Å; I817-K819 PolarHBondContact O-N 2.78Å; I817-I820 PolarHBondContact O-N 3.4Å; I817-I820 VanDerWaalsContact O-N 3.17Å; I817-V821 HydrophobicContact CG2-CG2 4.19Å; I817-V821 WeakPolarHBondContact O-CG2 3.1Å; I817-V821 PolarHBondContact O-N 3Å
818	P	94.7	Very high	90.8	Very high	86 Å²	86	53.7 Å²	53.7	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-60.3	-35.6	178.9	-24.4	35.7	0	0	0	113.6	V821 E822	P818-V821 PolarHBondContact O-N 3.15Å; P818-E822 PolarHBondContact O-N 2.99Å
819	K	93.2	Very high	90.3	Very high	39 Å²	39	49.2 Å²	49.2	17%	0.17	26%	0.26	C	S	.	.	H	α-helix	trans	-69.6	-38.7	177.8	-60.2	-174.2	-173	-65.2	0	111.5	L659 R660 M661 F749 Y816 I817 L823	L659-K819 HydrophobicContact CD2-CB 4.13Å; L659-K819 WeakPolarHBondContact O-CD 3.36Å; L659-K819 PolarHBondContact O-NZ 3.46Å; R660-K819 PolarHBondContact O-NZ 3.03Å; M661-K819 HydrophobicContact CE-CD 4.46Å; M661-K819 HydrophobicContact CG-CD 4.29Å; M661-K819 HydrophobicContact SD-CD 3.8Å; F749-K819 HydrophobicContact CD1-CD 4.17Å; F749-K819 HydrophobicContact CE1-CB 4Å; F749-K819 HydrophobicContact CE1-CD 3.64Å; F749-K819 HydrophobicContact CE1-CG 4.46Å; F749-K819 HydrophobicContact CZ-CB 4.07Å; F749-K819 HydrophobicContact CZ-CD 4.45Å; Y816-K819 HydrophobicContact CD1-CD 4.28Å; Y816-K819 PolarHBondContact O-N 2.87Å; Y816-K819 VanDerWaalsContact O-N 3.11Å; I817-K819 VanDerWaalsContact C-N 3.29Å; I817-K819 PolarHBondContact O-N 2.78Å; K819-L823 WeakPolarHBondContact O-CB 3.33Å; K819-L823 PolarHBondContact O-N 3.43Å; K819-L823 VanDerWaalsContact O-N 3.09Å
820	I	93.9	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-40.1	172.4	-61.4	-57.6	0	0	0	111.1	F749 M753 L785 E789 L792 F800 Y816 I817 L823 K824	F749-I820 HydrophobicContact CE2-CD1 4.01Å; F749-I820 HydrophobicContact CE2-CG1 4.36Å; F749-I820 HydrophobicContact CZ-CD1 3.86Å; F749-I820 HydrophobicContact CZ-CG1 4.3Å; M753-I820 HydrophobicContact CE-CD1 3.76Å; M753-I820 HydrophobicContact SD-CD1 3.53Å; M753-I820 VanDerWaalsContact SD-CD1 3.53Å; L785-I820 HydrophobicContact CB-CG2 4.41Å; L785-I820 HydrophobicContact CD2-CD1 4.34Å; L785-I820 HydrophobicContact CD2-CG2 4.17Å; L785-I820 WeakPolarHBondContact O-CG2 3.48Å; E789-I820 HydrophobicContact CB-CG2 3.99Å; L792-I820 HydrophobicContact CD1-CG1 3.64Å; F800-I820 HydrophobicContact CZ-CD1 4.31Å; Y816-I820 PolarHBondContact O-N 3.43Å; Y816-I820 VanDerWaalsContact O-N 3.15Å; I817-I820 PolarHBondContact O-N 3.4Å; I817-I820 VanDerWaalsContact O-N 3.17Å; I820-L823 PolarHBondContact O-N 3.18Å; I820-K824 VanDerWaalsContact O-CB 3.24Å; I820-K824 WeakPolarHBondContact O-CB 3.34Å; I820-K824 PolarHBondContact O-N 3.14Å
821	V	94.1	Very high	89.4	Confident	56 Å²	56	39.9 Å²	39.9	34%	0.339	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-44.8	177.6	172.3	0	0	0	0	111.8	E789 I817 P818 L823 K824 A825	E789-V821 HydrophobicContact CG-CG2 4.25Å; I817-V821 HydrophobicContact CG2-CG2 4.19Å; I817-V821 WeakPolarHBondContact O-CG2 3.1Å; I817-V821 PolarHBondContact O-N 3Å; P818-V821 PolarHBondContact O-N 3.15Å; V821-L823 VanDerWaalsContact C-N 3.35Å; V821-L823 PolarHBondContact O-N 2.79Å; V821-K824 PolarHBondContact O-N 2.85Å; V821-A825 WeakPolarHBondContact O-CB 3.49Å; V821-A825 PolarHBondContact O-N 2.68Å
822	E	91.1	Very high	88.9	Confident	46 Å²	46	39.8 Å²	39.8	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-40.2	176.1	-176.5	166.4	-168.5	0	0	111.5	K658 R660 P818 A825 E826	K658-E822 HydrophobicContact CB-CG 4.14Å; K658-E822 HydrophobicContact CD-CG 3.85Å; K658-E822 WeakPolarHBondContact CD-OE1 3.2Å; K658-E822 IonicContact NZ-OE1 3.49Å; R660-E822 IonicContact CZ-OE1 2.78Å; R660-E822 IonicContact CZ-OE2 3.9Å; R660-E822 VanDerWaalsContact CZ-OE2 3.31Å; R660-E822 IonicContact NE-OE1 3.77Å; R660-E822 IonicContact NE-OE2 2.77Å; R660-E822 PolarHBondContact NE-OE2 3.4Å; R660-E822 VanDerWaalsContact NH2-CD 3.28Å; R660-E822 IonicContact NH2-OE1 3.48Å; R660-E822 PolarHBondContact NH2-OE1 3Å; R660-E822 IonicContact NH2-OE2 3.21Å; R660-E822 PolarHBondContact NH2-OE2 2.75Å; P818-E822 PolarHBondContact O-N 2.99Å; E822-A825 PolarHBondContact O-N 2.74Å; E822-E826 PolarHBondContact O-N 3.44Å
823	L	89.1	Confident	87.8	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-41.9	175.8	-171.2	63.2	0	0	0	112.4	L654 L659 M753 L757 L785 K819 I820 V821 E826 F827	L654-L823 HydrophobicContact CB-CD1 4.22Å; L659-L823 HydrophobicContact CD2-CD2 4.3Å; M753-L823 HydrophobicContact CE-CD2 3.37Å; L757-L823 HydrophobicContact CD1-CD2 4.26Å; L785-L823 HydrophobicContact CD1-CG 4.36Å; L785-L823 HydrophobicContact CD2-CD2 3.86Å; L785-L823 HydrophobicContact CD2-CG 4.31Å; K819-L823 WeakPolarHBondContact O-CB 3.33Å; K819-L823 PolarHBondContact O-N 3.43Å; K819-L823 VanDerWaalsContact O-N 3.09Å; I820-L823 PolarHBondContact O-N 3.18Å; V821-L823 VanDerWaalsContact C-N 3.35Å; V821-L823 PolarHBondContact O-N 2.79Å; L823-E826 PolarHBondContact O-N 3.47Å; L823-F827 HydrophobicContact CD1-CD2 3.98Å; L823-F827 HydrophobicContact CD1-CE2 3.76Å; L823-F827 HydrophobicContact CD2-CE2 4.45Å; L823-F827 HydrophobicContact CG-CD2 3.95Å; L823-F827 HydrophobicContact CG-CE2 3.95Å; L823-F827 WeakPolarHBondContact O-CD2 3.45Å; L823-F827 PolarHBondContact O-N 2.98Å
824	K	91.1	Very high	87	Confident	35 Å²	35	41.2 Å²	41.2	15%	0.152	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-47.7	173.9	-179.7	-175.1	66.3	179.5	0	110.9	L782 L785 E789 I820 V821 E826 F827 Q828	L782-K824 HydrophobicContact CD2-CG 4.26Å; L785-K824 HydrophobicContact CB-CB 4.37Å; L785-K824 HydrophobicContact CD1-CB 4.45Å; E789-K824 IonicContact OE1-NZ 3.72Å; E789-K824 PolarHBondContact OE1-NZ 3.46Å; E789-K824 WeakPolarHBondContact OE2-CD 3.46Å; E789-K824 VanDerWaalsContact OE2-CE 3.27Å; E789-K824 WeakPolarHBondContact OE2-CE 3.17Å; E789-K824 IonicContact OE2-NZ 3.8Å; E789-K824 PolarHBondContact OE2-NZ 3.21Å; I820-K824 VanDerWaalsContact O-CB 3.24Å; I820-K824 WeakPolarHBondContact O-CB 3.34Å; I820-K824 PolarHBondContact O-N 3.14Å; V821-K824 PolarHBondContact O-N 2.85Å; K824-E826 VanDerWaalsContact C-N 3.35Å; K824-E826 PolarHBondContact O-N 3.42Å; K824-F827 PolarHBondContact O-N 2.9Å; K824-Q828 WeakPolarHBondContact O-CB 3.47Å; K824-Q828 VanDerWaalsContact O-CG 3.29Å; K824-Q828 WeakPolarHBondContact O-CG 3.33Å; K824-Q828 PolarHBondContact O-N 2.99Å
825	A	89.6	Confident	86	Confident	49 Å²	49	44 Å²	44	41%	0.405	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-42	178.1	0	0	0	0	0	111.8	V821 E822 Q828 R829	V821-A825 WeakPolarHBondContact O-CB 3.49Å; V821-A825 PolarHBondContact O-N 2.68Å; E822-A825 PolarHBondContact O-N 2.74Å; A825-Q828 PolarHBondContact O-N 3.13Å; A825-R829 VanDerWaalsContact O-CB 3.25Å; A825-R829 WeakPolarHBondContact O-CB 3.5Å; A825-R829 PolarHBondContact O-N 2.97Å
826	E	83.8	Confident	85.1	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-42.6	175.9	175.3	61.9	-164.1	0	0	112.6	L654 K658 E822 L823 K824 R829 R830	L654-E826 HydrophobicContact CD2-CB 4.42Å; L654-E826 HydrophobicContact CD2-CG 3.29Å; K658-E826 HydrophobicContact CD-CB 4.35Å; K658-E826 HydrophobicContact CG-CB 4.11Å; K658-E826 HydrophobicContact CG-CG 4.05Å; E822-E826 PolarHBondContact O-N 3.44Å; L823-E826 PolarHBondContact O-N 3.47Å; K824-E826 VanDerWaalsContact C-N 3.35Å; K824-E826 PolarHBondContact O-N 3.42Å; E826-R829 VanDerWaalsContact CD-NH2 3.29Å; E826-R829 CarbonylContact O-C 3.2Å; E826-R829 WeakPolarHBondContact O-CB 3.14Å; E826-R829 PolarHBondContact O-N 2.92Å; E826-R829 IonicContact OE1-CZ 3.48Å; E826-R829 IonicContact OE1-NE 3.59Å; E826-R829 IonicContact OE1-NH2 2.76Å; E826-R829 PolarHBondContact OE1-NH2 2.75Å; E826-R829 IonicContact OE2-CZ 3.59Å; E826-R829 VanDerWaalsContact OE2-CZ 3.29Å; E826-R829 IonicContact OE2-NE 3.8Å; E826-R829 PolarHBondContact OE2-NE 3.02Å; E826-R829 IonicContact OE2-NH2 2.67Å; E826-R829 PolarHBondContact OE2-NH2 3.3Å; E826-R830 WeakPolarHBondContact O-CG 3.46Å; E826-R830 PolarHBondContact O-N 2.94Å; E826-R830 IonicContact OE1-CZ 2.78Å; E826-R830 IonicContact OE1-NE 3.69Å; E826-R830 PolarHBondContact OE1-NE 2.83Å; E826-R830 IonicContact OE1-NH2 3.31Å; E826-R830 PolarHBondContact OE1-NH2 3.26Å
827	F	84.3	Confident	84.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-38.6	174.3	-88.7	-76.5	0	0	0	112.4	I648 L654 L757 L760 I778 F781 L782 L785 L823 K824 R829 R830 L831	I648-F827 HydrophobicContact CG2-CD1 4.18Å; I648-F827 HydrophobicContact CG2-CE1 3.77Å; L654-F827 HydrophobicContact CD1-CE1 4.1Å; L654-F827 HydrophobicContact CD1-CE2 3.87Å; L654-F827 HydrophobicContact CD1-CZ 3.54Å; L757-F827 HydrophobicContact CD2-CE2 3.89Å; L757-F827 HydrophobicContact CD2-CZ 3.86Å; L760-F827 HydrophobicContact CD2-CE1 3.68Å; L760-F827 HydrophobicContact CD2-CZ 3.6Å; I778-F827 HydrophobicContact CG2-CD1 4.15Å; F781-F827 HydrophobicContact CD1-CD2 4.16Å; F781-F827 HydrophobicContact CD1-CE1 4.3Å; F781-F827 AromaticContact CD1-CE2 3.79Å; F781-F827 HydrophobicContact CD1-CE2 3.79Å; F781-F827 AromaticContact CD1-CZ 3.87Å; F781-F827 HydrophobicContact CD1-CZ 3.87Å; F781-F827 HydrophobicContact CE1-CD2 4.2Å; F781-F827 AromaticContact CE1-CE2 3.56Å; F781-F827 HydrophobicContact CE1-CE2 3.56Å; F781-F827 AromaticContact CE1-CZ 3.88Å; F781-F827 HydrophobicContact CE1-CZ 3.88Å; L782-F827 HydrophobicContact CD2-CB 3.5Å; L782-F827 HydrophobicContact CG-CB 4.02Å; L785-F827 HydrophobicContact CD1-CB 4.49Å; L785-F827 HydrophobicContact CD1-CD2 3.78Å; L785-F827 HydrophobicContact CD1-CE2 4.4Å; L785-F827 HydrophobicContact CD1-CG 4.4Å; L823-F827 HydrophobicContact CD1-CD2 3.98Å; L823-F827 HydrophobicContact CD1-CE2 3.76Å; L823-F827 HydrophobicContact CD2-CE2 4.45Å; L823-F827 HydrophobicContact CG-CD2 3.95Å; L823-F827 HydrophobicContact CG-CE2 3.95Å; L823-F827 WeakPolarHBondContact O-CD2 3.45Å; L823-F827 PolarHBondContact O-N 2.98Å; K824-F827 PolarHBondContact O-N 2.9Å; F827-R829 VanDerWaalsContact C-N 3.35Å; F827-R830 PolarHBondContact O-N 2.61Å; F827-L831 WeakPolarHBondContact O-CB 3.4Å; F827-L831 PolarHBondContact O-N 2.86Å
828	Q	86.4	Confident	84	Confident	94 Å²	94	45.4 Å²	45.4	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-41.2	172.4	-73.2	173.9	-22.9	0	0	111.4	L782 K824 A825 R830 L831 S832	L782-Q828 HydrophobicContact CD1-CG 4.17Å; L782-Q828 HydrophobicContact CD2-CG 3.74Å; K824-Q828 WeakPolarHBondContact O-CB 3.47Å; K824-Q828 VanDerWaalsContact O-CG 3.29Å; K824-Q828 WeakPolarHBondContact O-CG 3.33Å; K824-Q828 PolarHBondContact O-N 2.99Å; A825-Q828 PolarHBondContact O-N 3.13Å; Q828-R830 VanDerWaalsContact C-N 3.3Å; Q828-R830 PolarHBondContact O-N 3.01Å; Q828-L831 PolarHBondContact O-N 3.48Å; Q828-S832 PolarHBondContact O-N 3.36Å
829	R	80.1	Confident	83.8	Confident	122 Å²	122	43.9 Å²	43.9	46%	0.46	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-30.2	174.5	-167.5	-167.2	71	88	0.4	112.1	R646 A825 E826 F827 S832	R646-R829 VanDerWaalsContact CZ-O 3.28Å; R646-R829 PolarHBondContact NH1-O 2.87Å; R646-R829 PolarHBondContact NH2-O 3.26Å; A825-R829 VanDerWaalsContact O-CB 3.25Å; A825-R829 WeakPolarHBondContact O-CB 3.5Å; A825-R829 PolarHBondContact O-N 2.97Å; E826-R829 VanDerWaalsContact CD-NH2 3.29Å; E826-R829 CarbonylContact O-C 3.2Å; E826-R829 WeakPolarHBondContact O-CB 3.14Å; E826-R829 PolarHBondContact O-N 2.92Å; E826-R829 IonicContact OE1-CZ 3.48Å; E826-R829 IonicContact OE1-NE 3.59Å; E826-R829 IonicContact OE1-NH2 2.76Å; E826-R829 PolarHBondContact OE1-NH2 2.75Å; E826-R829 IonicContact OE2-CZ 3.59Å; E826-R829 VanDerWaalsContact OE2-CZ 3.29Å; E826-R829 IonicContact OE2-NE 3.8Å; E826-R829 PolarHBondContact OE2-NE 3.02Å; E826-R829 IonicContact OE2-NH2 2.67Å; E826-R829 PolarHBondContact OE2-NH2 3.3Å; F827-R829 VanDerWaalsContact C-N 3.35Å; R829-S832 PolarHBondContact O-OG 3.08Å
830	R	74.2	Confident	83.7	Confident	13 Å²	13	42.4 Å²	42.4	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-76	-45.4	171.8	-73.3	178.3	-178.4	-138.1	-5.5	112.1	C647 I648 E826 F827 Q828 S832 D833	C647-R830 PolarHBondContact O-NH1 3.37Å; C647-R830 VanDerWaalsContact O-NH1 3.13Å; I648-R830 HydrophobicContact CD1-CB 4.01Å; I648-R830 HydrophobicContact CG1-CB 4.08Å; E826-R830 WeakPolarHBondContact O-CG 3.46Å; E826-R830 PolarHBondContact O-N 2.94Å; E826-R830 IonicContact OE1-CZ 2.78Å; E826-R830 IonicContact OE1-NE 3.69Å; E826-R830 PolarHBondContact OE1-NE 2.83Å; E826-R830 IonicContact OE1-NH2 3.31Å; E826-R830 PolarHBondContact OE1-NH2 3.26Å; F827-R830 PolarHBondContact O-N 2.61Å; Q828-R830 VanDerWaalsContact C-N 3.3Å; Q828-R830 PolarHBondContact O-N 3.01Å; R830-S832 PolarHBondContact O-N 3.43Å; R830-D833 PolarHBondContact O-N 3.05Å
831	L	79.2	Confident	83.5	Confident	11 Å²	11	42.5 Å²	42.5	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-17	178.9	-161.7	65.7	0	0	0	113.3	Y775 I778 R779 L782 F827 Q828 D833 F834 K835	Y775-L831 HydrophobicContact CD2-CD1 3.49Å; Y775-L831 VanDerWaalsContact CD2-CD1 3.49Å; Y775-L831 HydrophobicContact CD2-CG 4.41Å; Y775-L831 HydrophobicContact CE2-CD1 3.6Å; Y775-L831 HydrophobicContact CE2-CD2 4.34Å; Y775-L831 HydrophobicContact CE2-CG 4.03Å; I778-L831 HydrophobicContact CB-CD1 4.24Å; I778-L831 HydrophobicContact CG2-CD1 3.9Å; I778-L831 HydrophobicContact CG2-CD2 4.49Å; R779-L831 HydrophobicContact CG-CD2 3.83Å; L782-L831 HydrophobicContact CD1-CB 4.34Å; L782-L831 HydrophobicContact CD1-CD2 3.59Å; F827-L831 WeakPolarHBondContact O-CB 3.4Å; F827-L831 PolarHBondContact O-N 2.86Å; Q828-L831 PolarHBondContact O-N 3.48Å; L831-D833 PolarHBondContact O-N 2.97Å; L831-F834 HydrophobicContact CD1-CB 4.21Å; L831-F834 HydrophobicContact CD1-CD2 4Å; L831-F834 HydrophobicContact CD1-CG 4.41Å; L831-F834 WeakPolarHBondContact O-CB 3.43Å; L831-F834 PolarHBondContact O-N 2.91Å; L831-K835 PolarHBondContact O-N 3.01Å
832	S	78.5	Confident	83.5	Confident	51 Å²	51	42.9 Å²	42.9	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-55.8	-30.6	175.2	66.1	0	0	0	0	114.3	R646 Q828 R829 R830 F834 K835	R646-S832 PolarHBondContact NH2-OG 2.77Å; Q828-S832 PolarHBondContact O-N 3.36Å; R829-S832 PolarHBondContact O-OG 3.08Å; R830-S832 PolarHBondContact O-N 3.43Å; S832-F834 PolarHBondContact O-N 3.02Å; S832-K835 PolarHBondContact O-N 3.47Å
833	D	69.9	Low	83.7	Confident	34 Å²	34	40.9 Å²	40.9	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-31.5	173.5	-77.5	-2.6	0	0	0	112.3	R646 R830 L831 S836	R646-D833 WeakPolarHBondContact CB-OD2 3.44Å; R646-D833 VanDerWaalsContact CG-OD2 3.27Å; R646-D833 WeakPolarHBondContact CG-OD2 3.39Å; R646-D833 IonicContact CZ-OD1 3.25Å; R646-D833 IonicContact CZ-OD2 2.93Å; R646-D833 PolarHBondContact N-OD2 2.86Å; R646-D833 VanDerWaalsContact NE-CG 3.32Å; R646-D833 IonicContact NE-OD1 2.68Å; R646-D833 PolarHBondContact NE-OD1 2.79Å; R646-D833 IonicContact NE-OD2 3.96Å; R646-D833 PolarHBondContact NE-OD2 2.66Å; R646-D833 VanDerWaalsContact NH2-CG 3.25Å; R646-D833 IonicContact NH2-OD1 3.13Å; R646-D833 PolarHBondContact NH2-OD1 2.95Å; R646-D833 IonicContact NH2-OD2 2.64Å; R830-D833 PolarHBondContact O-N 3.05Å; L831-D833 PolarHBondContact O-N 2.97Å; D833-S836 PolarHBondContact O-OG 3.23Å
834	F	75.6	Confident	84	Confident	3 Å²	3	40.9 Å²	40.9	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-87.8	-18.5	-179	-69.1	-77.8	0	0	0	113.4	V645 I648 V771 M774 Y775 L831 S832 S836 C837 E838 L841	V645-F834 HydrophobicContact CB-CZ 4.24Å; V645-F834 HydrophobicContact CG1-CE1 4.5Å; V645-F834 HydrophobicContact CG1-CE2 4.23Å; V645-F834 HydrophobicContact CG1-CZ 3.61Å; V645-F834 HydrophobicContact CG2-CE1 3.85Å; V645-F834 HydrophobicContact CG2-CZ 3.76Å; I648-F834 HydrophobicContact CD1-CE2 3.98Å; V771-F834 HydrophobicContact CG2-CD1 4.34Å; V771-F834 HydrophobicContact CG2-CE1 3.55Å; V771-F834 HydrophobicContact CG2-CZ 4.39Å; M774-F834 HydrophobicContact CE-CE1 4.34Å; M774-F834 HydrophobicContact CE-CE2 3.79Å; M774-F834 HydrophobicContact CE-CZ 3.41Å; M774-F834 VanDerWaalsContact CE-CZ 3.41Å; Y775-F834 HydrophobicContact CD2-CB 3.5Å; Y775-F834 HydrophobicContact CD2-CD1 4.28Å; Y775-F834 HydrophobicContact CD2-CD2 4.47Å; Y775-F834 AromaticContact CD2-CG 3.85Å; Y775-F834 HydrophobicContact CD2-CG 3.85Å; Y775-F834 HydrophobicContact CE2-CB 3.52Å; Y775-F834 HydrophobicContact CE2-CG 4.36Å; L831-F834 HydrophobicContact CD1-CB 4.21Å; L831-F834 HydrophobicContact CD1-CD2 4Å; L831-F834 HydrophobicContact CD1-CG 4.41Å; L831-F834 WeakPolarHBondContact O-CB 3.43Å; L831-F834 PolarHBondContact O-N 2.91Å; S832-F834 PolarHBondContact O-N 3.02Å; F834-S836 VanDerWaalsContact C-N 3.3Å; F834-S836 PolarHBondContact O-N 3.33Å; F834-C837 CarbonylContact O-C 3.34Å; F834-C837 WeakPolarHBondContact O-CA 3.39Å; F834-C837 PolarHBondContact O-N 2.66Å; F834-E838 PolarHBondContact O-N 3.2Å; F834-L841 HydrophobicContact CB-CD1 4.44Å; F834-L841 HydrophobicContact CD1-CD1 4.03Å
835	K	73.4	Confident	84.1	Confident	137 Å²	137	40.6 Å²	40.6	60%	0.596	22%	0.222	S	C	*	.	H	α-helix	trans	-61.3	-36.5	-179.9	-73.2	-169.4	172.2	-168.4	0	112.9	L831 S832 C837 E838	L831-K835 PolarHBondContact O-N 3.01Å; S832-K835 PolarHBondContact O-N 3.47Å; K835-C837 PolarHBondContact O-N 3.02Å; K835-E838 WeakPolarHBondContact O-CB 3.38Å; K835-E838 PolarHBondContact O-N 3.08Å
836	S	73.7	Confident	84.3	Confident	96 Å²	96	40.2 Å²	40.2	67%	0.671	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.6	173.5	55.6	0	0	0	0	113.5	D833 F834	D833-S836 PolarHBondContact O-OG 3.23Å; F834-S836 VanDerWaalsContact C-N 3.3Å; F834-S836 PolarHBondContact O-N 3.33Å
837	C	81.9	Confident	84.8	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.027	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	4	179	-163.5	0	0	0	0	112.4	K643 F834 K835 S839 E840 L841	K643-C837 PolarHBondContact NZ-SG 3.06Å; F834-C837 CarbonylContact O-C 3.34Å; F834-C837 WeakPolarHBondContact O-CA 3.39Å; F834-C837 PolarHBondContact O-N 2.66Å; K835-C837 PolarHBondContact O-N 3.02Å; C837-S839 PolarHBondContact O-N 2.79Å; C837-E840 WeakPolarHBondContact O-CB 3.45Å; C837-E840 PolarHBondContact O-N 3.49Å; C837-E840 VanDerWaalsContact O-N 3.13Å; C837-L841 HydrophobicContact CB-CD1 4.19Å; C837-L841 HydrophobicContact CB-CG 4.4Å; C837-L841 WeakPolarHBondContact O-CB 3.21Å; C837-L841 VanDerWaalsContact O-CG 3.26Å; C837-L841 WeakPolarHBondContact O-CG 3.38Å; C837-L841 PolarHBondContact O-N 3.4Å
838	E	87.2	Confident	85.4	Confident	69 Å²	69	41 Å²	41	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-65.8	-37.9	-167.7	-177.7	161.1	160.7	0	0	113.1	Y775 F834 K835 T842	Y775-E838 VanDerWaalsContact OH-CG 3.23Å; Y775-E838 WeakPolarHBondContact OH-CG 3.36Å; Y775-E838 PolarHBondContact OH-OE1 3.39Å; Y775-E838 PolarHBondContact OH-OE2 2.84Å; F834-E838 PolarHBondContact O-N 3.2Å; K835-E838 WeakPolarHBondContact O-CB 3.38Å; K835-E838 PolarHBondContact O-N 3.08Å; E838-T842 VanDerWaalsContact O-CB 3.26Å; E838-T842 WeakPolarHBondContact O-CB 3.47Å; E838-T842 PolarHBondContact O-N 3.41Å; E838-T842 PolarHBondContact O-OG1 3.49Å
839	S	89	Confident	85.7	Confident	54 Å²	54	41.1 Å²	41.1	38%	0.378	23%	0.231	S	C	.	.	H	α-helix	trans	-67.6	-39.3	172.5	53.1	0	0	0	0	112.4	C837 T842 L843	C837-S839 PolarHBondContact O-N 2.79Å; S839-T842 PolarHBondContact O-N 2.85Å; S839-L843 VanDerWaalsContact O-CB 3.26Å; S839-L843 WeakPolarHBondContact O-CB 3.47Å; S839-L843 PolarHBondContact O-N 2.99Å
840	E	91.2	Very high	86.4	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-39.3	177.1	-84.3	-178.4	-100.6	0	0	113.3	K643 C837 F844 R856 H898 M902	K643-E840 IonicContact NZ-OE1 2.87Å; K643-E840 PolarHBondContact NZ-OE1 3.11Å; K643-E840 IonicContact NZ-OE2 3.23Å; K643-E840 PolarHBondContact NZ-OE2 3.3Å; C837-E840 WeakPolarHBondContact O-CB 3.45Å; C837-E840 PolarHBondContact O-N 3.49Å; C837-E840 VanDerWaalsContact O-N 3.13Å; E840-F844 WeakPolarHBondContact O-CB 3.35Å; E840-F844 PolarHBondContact O-N 3.13Å; E840-R856 IonicContact OE1-CZ 3.34Å; E840-R856 IonicContact OE1-NE 3.3Å; E840-R856 PolarHBondContact OE1-NE 3.48Å; E840-R856 IonicContact OE1-NH2 2.69Å; E840-R856 PolarHBondContact OE1-NH2 3.31Å; E840-R856 IonicContact OE2-NH2 3.82Å; E840-H898 PolarHBondContact O-NE2 3Å; E840-H898 VanDerWaalsContact O-NE2 3.15Å; E840-H898 IonicContact OE2-CE1 3.27Å; E840-H898 IonicContact OE2-ND1 2.74Å; E840-M902 HydrophobicContact CB-SD 4.26Å
841	L	90.9	Very high	87.4	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-37.9	174	-70.4	168.8	0	0	0	111.2	V771 T772 Y775 F834 C837 F844 S845 M902	V771-L841 HydrophobicContact CB-CD2 4.49Å; V771-L841 HydrophobicContact CG1-CD2 3.64Å; V771-L841 HydrophobicContact CG2-CD2 4.16Å; T772-L841 HydrophobicContact CG2-CB 3.97Å; T772-L841 HydrophobicContact CG2-CD2 3.56Å; T772-L841 HydrophobicContact CG2-CG 4.35Å; Y775-L841 HydrophobicContact CD1-CD1 4.46Å; Y775-L841 HydrophobicContact CD2-CD1 4.16Å; Y775-L841 HydrophobicContact CE2-CD1 4.48Å; Y775-L841 HydrophobicContact CG-CD1 4.17Å; F834-L841 HydrophobicContact CB-CD1 4.44Å; F834-L841 HydrophobicContact CD1-CD1 4.03Å; C837-L841 HydrophobicContact CB-CD1 4.19Å; C837-L841 HydrophobicContact CB-CG 4.4Å; C837-L841 WeakPolarHBondContact O-CB 3.21Å; C837-L841 VanDerWaalsContact O-CG 3.26Å; C837-L841 WeakPolarHBondContact O-CG 3.38Å; C837-L841 PolarHBondContact O-N 3.4Å; L841-F844 PolarHBondContact O-N 3.44Å; L841-S845 WeakPolarHBondContact O-CB 3.37Å; L841-S845 PolarHBondContact O-N 2.81Å; L841-M902 HydrophobicContact CD2-SD 4.13Å
842	T	92.9	Very high	88.1	Confident	64 Å²	64	40.8 Å²	40.8	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-69.2	-47.2	176.6	-61.6	0	0	0	0	111.3	E838 S839 F844 S845 S846	E838-T842 VanDerWaalsContact O-CB 3.26Å; E838-T842 WeakPolarHBondContact O-CB 3.47Å; E838-T842 PolarHBondContact O-N 3.41Å; E838-T842 PolarHBondContact O-OG1 3.49Å; S839-T842 PolarHBondContact O-N 2.85Å; T842-F844 PolarHBondContact O-N 3.02Å; T842-S845 PolarHBondContact O-N 3.14Å; T842-S846 PolarHBondContact O-N 3.44Å
843	L	95.3	Very high	88.8	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-55.4	-41.1	173.6	174	59.4	0	0	0	111.5	S839 P847 T850 V855 L859 V863 Y895	S839-L843 VanDerWaalsContact O-CB 3.26Å; S839-L843 WeakPolarHBondContact O-CB 3.47Å; S839-L843 PolarHBondContact O-N 2.99Å; L843-P847 HydrophobicContact CD1-CB 4.48Å; L843-P847 WeakPolarHBondContact O-CA 3.47Å; L843-P847 WeakPolarHBondContact O-CB 3.46Å; L843-P847 WeakPolarHBondContact O-CD 3.4Å; L843-T850 WeakPolarHBondContact CA-OG1 3.49Å; L843-T850 HydrophobicContact CB-CG2 4.24Å; L843-T850 HydrophobicContact CD1-CG2 4.19Å; L843-V855 HydrophobicContact CD1-CG2 3.99Å; L843-V855 HydrophobicContact CD2-CG1 3.94Å; L843-V855 HydrophobicContact CD2-CG2 4.2Å; L843-L859 HydrophobicContact CD2-CD1 3.77Å; L843-V863 HydrophobicContact CD1-CG1 3.88Å; L843-V863 HydrophobicContact CD1-CG2 3.86Å; L843-V863 HydrophobicContact CD2-CG2 4.41Å; L843-Y895 HydrophobicContact CD1-CE2 4.06Å; L843-Y895 HydrophobicContact CD2-CE2 4.3Å; L843-Y895 HydrophobicContact CG-CE2 3.99Å; L843-Y895 PolarHBondContact O-OH 2.99Å
844	F	94.9	Very high	89.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-54.7	174.5	-179.1	-92.1	0	0	0	111.9	I770 T772 E840 L841 T842 S846 P847 V881 Y885 C899 M902 L903	I770-F844 HydrophobicContact CD1-CE1 4.26Å; T772-F844 HydrophobicContact CG2-CD1 3.79Å; T772-F844 HydrophobicContact CG2-CE1 4.35Å; E840-F844 WeakPolarHBondContact O-CB 3.35Å; E840-F844 PolarHBondContact O-N 3.13Å; L841-F844 PolarHBondContact O-N 3.44Å; T842-F844 PolarHBondContact O-N 3.02Å; F844-S846 PolarHBondContact O-N 3.06Å; F844-P847 WeakPolarHBondContact O-CD 3.36Å; F844-V881 HydrophobicContact CD1-CG1 4.21Å; F844-V881 HydrophobicContact CE1-CG1 3.67Å; F844-V881 HydrophobicContact CZ-CG1 4.23Å; F844-Y885 AromaticContact CD2-CE2 3.88Å; F844-Y885 HydrophobicContact CD2-CE2 3.88Å; F844-Y885 AromaticContact CD2-CZ 3.63Å; F844-Y885 WeakPolarHBondContact CD2-OH 3.41Å; F844-Y885 HydrophobicContact CE1-CE2 4.07Å; F844-Y885 HydrophobicContact CE2-CD2 4.03Å; F844-Y885 HydrophobicContact CE2-CE1 4.49Å; F844-Y885 AromaticContact CE2-CE2 3.2Å; F844-Y885 HydrophobicContact CE2-CE2 3.2Å; F844-Y885 AromaticContact CE2-CZ 3.47Å; F844-Y885 VanDerWaalsContact CE2-CZ 3.47Å; F844-Y885 WeakPolarHBondContact CE2-OH 3.29Å; F844-Y885 VanDerWaalsContact CG-OH 3.29Å; F844-Y885 WeakPolarHBondContact CG-OH 3.44Å; F844-Y885 HydrophobicContact CZ-CD2 4.26Å; F844-Y885 AromaticContact CZ-CE2 3.34Å; F844-Y885 HydrophobicContact CZ-CE2 3.34Å; F844-Y885 AromaticContact CZ-CZ 3.92Å; F844-Y885 PolarHBondContact O-OH 3.2Å; F844-C899 HydrophobicContact CD2-CB 4.32Å; F844-C899 HydrophobicContact CE2-CB 4.2Å; F844-C899 WeakPolarHBondContact CE2-O 3.41Å; F844-M902 HydrophobicContact CB-CB 4.45Å; F844-M902 HydrophobicContact CB-CG 4.14Å; F844-M902 HydrophobicContact CD1-CB 4.44Å; F844-M902 HydrophobicContact CD2-CB 3.43Å; F844-M902 VanDerWaalsContact CD2-CB 3.43Å; F844-M902 HydrophobicContact CD2-CG 3.87Å; F844-M902 HydrophobicContact CE2-CB 3.56Å; F844-M902 HydrophobicContact CE2-CG 4.48Å; F844-M902 HydrophobicContact CG-CB 3.89Å; F844-M902 HydrophobicContact CG-CG 4.11Å; F844-M902 HydrophobicContact CZ-CB 4.12Å; F844-L903 HydrophobicContact CE2-CD2 4.47Å; F844-L903 HydrophobicContact CE2-CG 3.95Å; F844-L903 HydrophobicContact CZ-CD2 3.85Å; F844-L903 HydrophobicContact CZ-CG 3.81Å
845	S	93.2	Very high	90.7	Very high	30 Å²	30	46.7 Å²	46.7	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-21.9	-178.8	-82.3	0	0	0	0	114.4	T772 L841 T842 Y876	T772-S845 WeakPolarHBondContact CB-OG 3.49Å; T772-S845 WeakPolarHBondContact CG2-OG 3.46Å; T772-S845 PolarHBondContact OG1-OG 3.25Å; L841-S845 WeakPolarHBondContact O-CB 3.37Å; L841-S845 PolarHBondContact O-N 2.81Å; T842-S845 PolarHBondContact O-N 3.14Å; S845-Y876 PolarHBondContact O-OH 2.88Å; S845-Y876 VanDerWaalsContact O-OH 3.08Å
846	S	94.3	Very high	91.6	Very high	41 Å²	41	44.2 Å²	44.2	29%	0.287	26%	0.261	S	S	.	.			trans	-153.6	60.5	-170.3	-66.9	0	0	0	0	113.5	T842 F844 F848 S849 T850	T842-S846 PolarHBondContact O-N 3.44Å; F844-S846 PolarHBondContact O-N 3.06Å; S846-F848 VanDerWaalsContact C-N 3.28Å; S846-F848 PolarHBondContact O-N 3.42Å; S846-S849 PolarHBondContact O-N 2.86Å; S846-S849 PolarHBondContact O-OG 3.26Å; S846-T850 PolarHBondContact O-N 3.21Å; S846-T850 VanDerWaalsContact O-N 3.13Å; S846-T850 PolarHBondContact O-OG1 3.08Å
847	P	95.1	Very high	92.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-31	-175.2	23.6	-32.5	0	0	0	113.3	L843 F844 S849 L866 Q867 Y876 Y895	L843-P847 HydrophobicContact CD1-CB 4.48Å; L843-P847 WeakPolarHBondContact O-CA 3.47Å; L843-P847 WeakPolarHBondContact O-CB 3.46Å; L843-P847 WeakPolarHBondContact O-CD 3.4Å; F844-P847 WeakPolarHBondContact O-CD 3.36Å; P847-S849 PolarHBondContact O-N 3.04Å; P847-L866 HydrophobicContact CB-CD2 4Å; P847-Q867 VanDerWaalsContact O-CG 3.3Å; P847-Q867 WeakPolarHBondContact O-CG 3.32Å; P847-Q867 PolarHBondContact O-NE2 3.28Å; P847-Y876 HydrophobicContact CG-CD2 4.5Å; P847-Y876 HydrophobicContact CG-CE2 4.17Å; P847-Y895 WeakPolarHBondContact CB-OH 3.49Å
848	F	96.2	Very high	93.1	Very high	25 Å²	25	52.6 Å²	52.6	11%	0.11	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.9	-178.4	-67.2	-81.4	0	0	0	114.7	S846 L866 L872 R873 Y876 F884	S846-F848 VanDerWaalsContact C-N 3.28Å; S846-F848 PolarHBondContact O-N 3.42Å; F848-L866 HydrophobicContact CE1-CD1 4.29Å; F848-L866 HydrophobicContact CE1-CG 4.29Å; F848-L866 WeakPolarHBondContact CE1-O 3.45Å; F848-L866 HydrophobicContact CZ-CD1 3.83Å; F848-L866 HydrophobicContact CZ-CG 4.09Å; F848-L872 HydrophobicContact CZ-CB 4.22Å; F848-R873 HydrophobicContact CD1-CB 3.79Å; F848-R873 HydrophobicContact CD1-CG 3.74Å; F848-R873 HydrophobicContact CE1-CB 3.56Å; F848-R873 HydrophobicContact CE1-CG 4.04Å; F848-R873 HydrophobicContact CG-CG 4.08Å; F848-R873 HydrophobicContact CZ-CB 4.13Å; F848-Y876 AromaticContact CD2-CD1 3.67Å; F848-Y876 HydrophobicContact CD2-CD1 3.67Å; F848-Y876 AromaticContact CD2-CD2 3.91Å; F848-Y876 HydrophobicContact CD2-CD2 3.91Å; F848-Y876 HydrophobicContact CD2-CE1 4.06Å; F848-Y876 HydrophobicContact CD2-CE2 4.26Å; F848-Y876 AromaticContact CD2-CG 3.59Å; F848-Y876 HydrophobicContact CD2-CG 3.59Å; F848-Y876 VanDerWaalsContact CE2-CB 3.44Å; F848-Y876 HydrophobicContact CE2-CD1 4.05Å; F848-Y876 AromaticContact CE2-CD2 3.8Å; F848-Y876 HydrophobicContact CE2-CD2 3.8Å; F848-Y876 AromaticContact CE2-CG 3.51Å; F848-Y876 HydrophobicContact CE2-CG 3.51Å; F848-F884 HydrophobicContact CE2-CE1 4.16Å; F848-F884 HydrophobicContact CE2-CE2 4.49Å; F848-F884 AromaticContact CE2-CZ 3.91Å; F848-F884 HydrophobicContact CE2-CZ 3.91Å; F848-F884 AromaticContact CZ-CZ 3.99Å; F848-F884 HydrophobicContact CZ-CZ 3.99Å
849	S	94	Very high	93.5	Very high	95 Å²	95	49.6 Å²	49.6	66%	0.664	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	4	179.6	54.8	0	0	0	0	114.5	S846 P847	S846-S849 PolarHBondContact O-N 2.86Å; S846-S849 PolarHBondContact O-OG 3.26Å; P847-S849 PolarHBondContact O-N 3.04Å
850	T	93.6	Very high	93.9	Very high	9 Å²	9	49.7 Å²	49.7	6%	0.055	27%	0.27	C	S	.	.			trans	-74.8	133.1	176.9	-65.5	0	0	0	0	111	L843 S846 I852 V855 Q867	L843-T850 WeakPolarHBondContact CA-OG1 3.49Å; L843-T850 HydrophobicContact CB-CG2 4.24Å; L843-T850 HydrophobicContact CD1-CG2 4.19Å; S846-T850 PolarHBondContact O-N 3.21Å; S846-T850 VanDerWaalsContact O-N 3.13Å; S846-T850 PolarHBondContact O-OG1 3.08Å; T850-I852 PolarHBondContact O-N 3.25Å; T850-V855 HydrophobicContact CG2-CG2 3.76Å; T850-Q867 PolarHBondContact O-NE2 2.79Å
851	T	94.7	Very high	94.2	Very high	93 Å²	93	55.3 Å²	55.3	57%	0.571	30%	0.298	S	S	*	.			trans	-68.1	126.2	176	41.4	0	0	0	0	111.4	D853 S854	T851-D853 PolarHBondContact O-N 3.48Å; T851-S854 PolarHBondContact O-N 3.01Å; T851-S854 PolarHBondContact O-OG 3.26Å; T851-S854 PolarHBondContact OG1-OG 3.25Å
852	I	95.2	Very high	94.5	Very high	37 Å²	37	56.2 Å²	56.2	19%	0.19	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-58.9	-35.3	-174.4	-59.3	-56.4	0	0	0	112.1	T850 S854 V855 Q860 V863 I864	T850-I852 PolarHBondContact O-N 3.25Å; I852-S854 PolarHBondContact O-N 3.49Å; I852-S854 VanDerWaalsContact O-N 3.12Å; I852-V855 WeakPolarHBondContact O-CB 3.43Å; I852-V855 PolarHBondContact O-N 2.88Å; I852-Q860 HydrophobicContact CG2-CB 3.97Å; I852-Q860 HydrophobicContact CG2-CG 3.87Å; I852-Q860 PolarHBondContact O-NE2 3.45Å; I852-V863 HydrophobicContact CD1-CB 4.33Å; I852-V863 HydrophobicContact CD1-CG1 3.8Å; I852-I864 HydrophobicContact CD1-CG1 3.78Å; I852-I864 HydrophobicContact CG1-CG1 3.93Å; I852-I864 HydrophobicContact CG2-CD1 4.21Å; I852-I864 HydrophobicContact CG2-CG1 4.31Å
853	D	93.1	Very high	94.7	Very high	155 Å²	155	53.1 Å²	53.1	83%	0.829	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.2	-19	178.3	-45.3	-78.1	0	0	0	113.8	T851	T851-D853 PolarHBondContact O-N 3.48Å
854	S	91.5	Very high	94.8	Very high	49 Å²	49	55.9 Å²	55.9	34%	0.343	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-91.5	-5.7	174	68.6	0	0	0	0	114.3	T851 I852	T851-S854 PolarHBondContact O-N 3.01Å; T851-S854 PolarHBondContact O-OG 3.26Å; T851-S854 PolarHBondContact OG1-OG 3.25Å; I852-S854 PolarHBondContact O-N 3.49Å; I852-S854 VanDerWaalsContact O-N 3.12Å
855	V	93.4	Very high	94.9	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.048	32%	0.321	C	S	.	.	S	Bend	trans	-90.5	136.8	-179.3	175.5	0	0	0	0	109.5	L843 T850 I852 E857 L859 Q860 V863	L843-V855 HydrophobicContact CD1-CG2 3.99Å; L843-V855 HydrophobicContact CD2-CG1 3.94Å; L843-V855 HydrophobicContact CD2-CG2 4.2Å; T850-V855 HydrophobicContact CG2-CG2 3.76Å; I852-V855 WeakPolarHBondContact O-CB 3.43Å; I852-V855 PolarHBondContact O-N 2.88Å; V855-E857 PolarHBondContact O-N 2.93Å; V855-L859 HydrophobicContact CG1-CB 3.68Å; V855-Q860 HydrophobicContact CB-CG 4.04Å; V855-Q860 HydrophobicContact CG1-CG 4.02Å; V855-Q860 WeakPolarHBondContact O-CG 3.24Å; V855-Q860 PolarHBondContact O-NE2 3.24Å; V855-V863 HydrophobicContact CG1-CG2 4.1Å; V855-V863 HydrophobicContact CG2-CG1 4.47Å
856	R	92.2	Very high	95.1	Very high	85 Å²	85	59 Å²	59	32%	0.321	31%	0.311	S	S	.	.			trans	-52.8	131.1	174	-64.2	-177.4	176.3	-147.1	-0.5	110	D641 E840 E858 L859 Q860	D641-R856 IonicContact OD2-NH2 3.95Å; D641-R856 PolarHBondContact OD2-NH2 2.96Å; E840-R856 IonicContact OE1-CZ 3.34Å; E840-R856 IonicContact OE1-NE 3.3Å; E840-R856 PolarHBondContact OE1-NE 3.48Å; E840-R856 IonicContact OE1-NH2 2.69Å; E840-R856 PolarHBondContact OE1-NH2 3.31Å; E840-R856 IonicContact OE2-NH2 3.82Å; R856-E858 HydrophobicContact CB-CG 4.12Å; R856-E858 VanDerWaalsContact CD-OE1 3.32Å; R856-E858 WeakPolarHBondContact CD-OE1 3.33Å; R856-E858 IonicContact NH1-OE1 2.71Å; R856-E858 PolarHBondContact O-N 2.94Å; R856-L859 PolarHBondContact O-N 3.19Å; R856-Q860 PolarHBondContact O-N 2.9Å
857	E	94.2	Very high	95.2	Very high	170 Å²	170	58.8 Å²	58.8	79%	0.794	31%	0.306	S	S	*	.	H	α-helix	trans	-44.5	-42.4	-176.6	-63.9	175.3	-172.3	0	0	113.3	V855 L859 Q860	V855-E857 PolarHBondContact O-N 2.93Å; E857-L859 PolarHBondContact O-N 3.14Å; E857-L859 VanDerWaalsContact O-N 3.14Å; E857-Q860 PolarHBondContact O-N 3.1Å
858	E	93.4	Very high	95.2	Very high	106 Å²	106	63.5 Å²	63.5	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-56.3	-30.4	179.7	69.6	-166.3	156.7	0	0	113.9	R856 K894	R856-E858 HydrophobicContact CB-CG 4.12Å; R856-E858 VanDerWaalsContact CD-OE1 3.32Å; R856-E858 WeakPolarHBondContact CD-OE1 3.33Å; R856-E858 IonicContact NH1-OE1 2.71Å; R856-E858 PolarHBondContact O-N 2.94Å; E858-K894 WeakPolarHBondContact O-CD 3.38Å; E858-K894 WeakPolarHBondContact O-CE 3.48Å; E858-K894 PolarHBondContact O-NZ 3.38Å
859	L	95.6	Very high	95.2	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-97.2	-21.2	-177.8	-60.8	-178.7	0	0	0	114.1	L843 V855 R856 E857 M861 E862 V863 K894 H898	L843-L859 HydrophobicContact CD2-CD1 3.77Å; V855-L859 HydrophobicContact CG1-CB 3.68Å; R856-L859 PolarHBondContact O-N 3.19Å; E857-L859 PolarHBondContact O-N 3.14Å; E857-L859 VanDerWaalsContact O-N 3.14Å; L859-M861 VanDerWaalsContact C-N 3.35Å; L859-M861 PolarHBondContact O-N 3.07Å; L859-E862 PolarHBondContact O-N 3.03Å; L859-E862 VanDerWaalsContact O-N 3.07Å; L859-V863 HydrophobicContact CB-CG2 4.25Å; L859-V863 WeakPolarHBondContact O-CG2 3.29Å; L859-V863 PolarHBondContact O-N 3.26Å; L859-K894 HydrophobicContact CD2-CB 3.59Å; L859-H898 HydrophobicContact CD1-CB 3.98Å; L859-H898 HydrophobicContact CD2-CB 4.36Å
860	Q	97.3	Very high	95.3	Very high	55 Å²	55	63.4 Å²	63.4	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-52.5	-46.7	-164.4	-74.5	177.8	-6.7	0	0	113.6	I852 V855 R856 E857 V863 I864	I852-Q860 HydrophobicContact CG2-CB 3.97Å; I852-Q860 HydrophobicContact CG2-CG 3.87Å; I852-Q860 PolarHBondContact O-NE2 3.45Å; V855-Q860 HydrophobicContact CB-CG 4.04Å; V855-Q860 HydrophobicContact CG1-CG 4.02Å; V855-Q860 WeakPolarHBondContact O-CG 3.24Å; V855-Q860 PolarHBondContact O-NE2 3.24Å; R856-Q860 PolarHBondContact O-N 2.9Å; E857-Q860 PolarHBondContact O-N 3.1Å; Q860-V863 PolarHBondContact O-N 2.75Å; Q860-I864 WeakPolarHBondContact O-CG1 3.05Å; Q860-I864 PolarHBondContact O-N 2.97Å
861	M	97.2	Very high	95.5	Very high	127 Å²	127	67.5 Å²	67.5	63%	0.626	36%	0.36	S	S	*	.	H	α-helix	trans	-62.4	-46	179.5	-59.7	-54.2	-58.8	0	0	112.8	L859 V863 I864 D865	L859-M861 VanDerWaalsContact C-N 3.35Å; L859-M861 PolarHBondContact O-N 3.07Å; M861-V863 PolarHBondContact O-N 3.3Å; M861-I864 PolarHBondContact O-N 3.28Å; M861-I864 HydrophobicContact SD-CD1 4.33Å; M861-D865 PolarHBondContact O-N 3.28Å
862	E	97.5	Very high	95.6	Very high	20 Å²	20	63.2 Å²	63.2	9%	0.093	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-31.3	177.4	-73.5	-177.9	-147.7	0	0	111.8	L859 L866 Y892 P893 K894 Y895	L859-E862 PolarHBondContact O-N 3.03Å; L859-E862 VanDerWaalsContact O-N 3.07Å; E862-L866 WeakPolarHBondContact O-CB 3.46Å; E862-L866 PolarHBondContact O-N 3.03Å; E862-Y892 HydrophobicContact CB-CD1 4.23Å; E862-Y892 WeakPolarHBondContact O-CD1 3.41Å; E862-Y892 WeakPolarHBondContact O-CE1 3.4Å; E862-Y892 VanDerWaalsContact OE2-CA 3.3Å; E862-Y892 WeakPolarHBondContact OE2-CA 3.43Å; E862-P893 WeakPolarHBondContact OE1-CD 3.33Å; E862-K894 VanDerWaalsContact OE1-CB 3.3Å; E862-K894 WeakPolarHBondContact OE1-CB 3.1Å; E862-K894 VanDerWaalsContact OE1-CD 3.32Å; E862-K894 WeakPolarHBondContact OE1-CD 3.49Å; E862-K894 WeakPolarHBondContact OE1-CG 3.39Å; E862-K894 PolarHBondContact OE1-N 3.07Å; E862-K894 PolarHBondContact OE2-N 3.23Å; E862-Y895 PolarHBondContact OE2-N 3.43Å
863	V	96.9	Very high	95.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-75	-36.9	176.4	177.6	0	0	0	0	111.6	L843 I852 V855 L859 Q860 M861 L866 Q867 Y895	L843-V863 HydrophobicContact CD1-CG1 3.88Å; L843-V863 HydrophobicContact CD1-CG2 3.86Å; L843-V863 HydrophobicContact CD2-CG2 4.41Å; I852-V863 HydrophobicContact CD1-CB 4.33Å; I852-V863 HydrophobicContact CD1-CG1 3.8Å; V855-V863 HydrophobicContact CG1-CG2 4.1Å; V855-V863 HydrophobicContact CG2-CG1 4.47Å; L859-V863 HydrophobicContact CB-CG2 4.25Å; L859-V863 WeakPolarHBondContact O-CG2 3.29Å; L859-V863 PolarHBondContact O-N 3.26Å; Q860-V863 PolarHBondContact O-N 2.75Å; M861-V863 PolarHBondContact O-N 3.3Å; V863-L866 PolarHBondContact O-N 2.99Å; V863-Q867 HydrophobicContact CG1-CG 4.38Å; V863-Q867 WeakPolarHBondContact O-CB 3.48Å; V863-Q867 VanDerWaalsContact O-CG 3.26Å; V863-Q867 WeakPolarHBondContact O-CG 3.26Å; V863-Q867 PolarHBondContact O-N 3.47Å; V863-Y895 HydrophobicContact CG2-CD2 3.87Å; V863-Y895 HydrophobicContact CG2-CE2 4.24Å
864	I	97.2	Very high	95.8	Very high	62 Å²	62	63.5 Å²	63.5	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-51.4	170.9	-67.9	161.7	0	0	0	110.1	I852 Q860 M861 L866 Q867 C868	I852-I864 HydrophobicContact CD1-CG1 3.78Å; I852-I864 HydrophobicContact CG1-CG1 3.93Å; I852-I864 HydrophobicContact CG2-CD1 4.21Å; I852-I864 HydrophobicContact CG2-CG1 4.31Å; Q860-I864 WeakPolarHBondContact O-CG1 3.05Å; Q860-I864 PolarHBondContact O-N 2.97Å; M861-I864 PolarHBondContact O-N 3.28Å; M861-I864 HydrophobicContact SD-CD1 4.33Å; I864-L866 PolarHBondContact O-N 3.38Å; I864-Q867 PolarHBondContact O-N 3.34Å; I864-Q867 VanDerWaalsContact O-N 3.13Å; I864-C868 PolarHBondContact O-N 2.86Å
865	D	97.3	Very high	96	Very high	94 Å²	94	64.1 Å²	64.1	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-30.2	178.7	-73.2	-23.2	0	0	0	112.4	M861 N869 Y892	M861-D865 PolarHBondContact O-N 3.28Å; D865-N869 WeakPolarHBondContact O-CB 3.36Å; D865-N869 PolarHBondContact O-N 2.91Å; D865-Y892 HydrophobicContact CB-CE1 3.87Å; D865-Y892 PolarHBondContact O-OH 3.2Å; D865-Y892 VanDerWaalsContact O-OH 3.1Å
866	L	96.8	Very high	96.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-73	-46.8	172.9	177.8	61.6	0	0	0	111.3	P847 F848 E862 V863 I864 C868 N869 L872 F884 L888 Y892 Y895	P847-L866 HydrophobicContact CB-CD2 4Å; F848-L866 HydrophobicContact CE1-CD1 4.29Å; F848-L866 HydrophobicContact CE1-CG 4.29Å; F848-L866 WeakPolarHBondContact CE1-O 3.45Å; F848-L866 HydrophobicContact CZ-CD1 3.83Å; F848-L866 HydrophobicContact CZ-CG 4.09Å; E862-L866 WeakPolarHBondContact O-CB 3.46Å; E862-L866 PolarHBondContact O-N 3.03Å; V863-L866 PolarHBondContact O-N 2.99Å; I864-L866 PolarHBondContact O-N 3.38Å; L866-C868 VanDerWaalsContact C-N 3.28Å; L866-C868 PolarHBondContact O-N 3.05Å; L866-N869 WeakPolarHBondContact O-CB 3.5Å; L866-N869 PolarHBondContact O-N 2.94Å; L866-L872 HydrophobicContact CD1-CB 4.07Å; L866-L872 HydrophobicContact CD1-CD1 3.63Å; L866-F884 HydrophobicContact CD1-CZ 4.17Å; L866-L888 HydrophobicContact CD1-CD2 4.1Å; L866-Y892 HydrophobicContact CB-CD1 4.33Å; L866-Y892 HydrophobicContact CB-CE1 3.89Å; L866-Y895 HydrophobicContact CD2-CD1 3.72Å; L866-Y895 HydrophobicContact CD2-CE1 3.39Å; L866-Y895 HydrophobicContact CD2-CG 4.46Å
867	Q	96.5	Very high	96.3	Very high	37 Å²	37	67 Å²	67	17%	0.173	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-38.7	179.7	-78.2	-179.5	4.3	0	0	112.1	P847 T850 V863 I864 N869 R873	P847-Q867 VanDerWaalsContact O-CG 3.3Å; P847-Q867 WeakPolarHBondContact O-CG 3.32Å; P847-Q867 PolarHBondContact O-NE2 3.28Å; T850-Q867 PolarHBondContact O-NE2 2.79Å; V863-Q867 HydrophobicContact CG1-CG 4.38Å; V863-Q867 WeakPolarHBondContact O-CB 3.48Å; V863-Q867 VanDerWaalsContact O-CG 3.26Å; V863-Q867 WeakPolarHBondContact O-CG 3.26Å; V863-Q867 PolarHBondContact O-N 3.47Å; I864-Q867 PolarHBondContact O-N 3.34Å; I864-Q867 VanDerWaalsContact O-N 3.13Å; Q867-N869 VanDerWaalsContact C-N 3.32Å; Q867-R873 PolarHBondContact O-NH2 2.91Å
868	C	96.2	Very high	96.4	Very high	99 Å²	99	67.2 Å²	67.2	67%	0.669	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-16.3	175.1	-70.5	0	0	0	0	114.1	I864 L866 T870	I864-C868 PolarHBondContact O-N 2.86Å; L866-C868 VanDerWaalsContact C-N 3.28Å; L866-C868 PolarHBondContact O-N 3.05Å; C868-T870 PolarHBondContact O-N 3.29Å; C868-T870 VanDerWaalsContact O-N 3.08Å
869	N	96.1	Very high	96.5	Very high	20 Å²	20	64.5 Å²	64.5	11%	0.107	34%	0.335	C	S	.	.			trans	-79.1	93.9	-177.4	-170	-31.2	0	0	0	111.8	D865 L866 Q867 V871 L872 R873 W889 Y892	D865-N869 WeakPolarHBondContact O-CB 3.36Å; D865-N869 PolarHBondContact O-N 2.91Å; L866-N869 WeakPolarHBondContact O-CB 3.5Å; L866-N869 PolarHBondContact O-N 2.94Å; Q867-N869 VanDerWaalsContact C-N 3.32Å; N869-V871 VanDerWaalsContact C-N 3.28Å; N869-V871 PolarHBondContact O-N 3.27Å; N869-V871 PolarHBondContact OD1-N 3.14Å; N869-L872 HydrophobicContact CB-CB 4.17Å; N869-L872 HydrophobicContact CB-CD1 4.42Å; N869-L872 HydrophobicContact CB-CG 4.48Å; N869-L872 WeakPolarHBondContact ND2-CD1 3.27Å; N869-L872 PolarHBondContact O-N 2.97Å; N869-L872 PolarHBondContact OD1-N 3.41Å; N869-R873 PolarHBondContact O-N 3.04Å; N869-W889 VanDerWaalsContact ND2-CH2 3.3Å; N869-W889 WeakPolarHBondContact ND2-CH2 3.47Å; N869-W889 WeakPolarHBondContact ND2-CZ3 3.31Å; N869-Y892 PolarHBondContact ND2-OH 3.12Å
870	T	95.9	Very high	96.3	Very high	99 Å²	99	65.5 Å²	65.5	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-60.9	-32.2	179.8	54.6	0	0	0	0	113.5	C868 R873 T874	C868-T870 PolarHBondContact O-N 3.29Å; C868-T870 VanDerWaalsContact O-N 3.08Å; T870-R873 PolarHBondContact O-N 2.99Å; T870-T874 WeakPolarHBondContact O-CB 3.24Å; T870-T874 PolarHBondContact O-N 3.16Å; T870-T874 PolarHBondContact O-OG1 3.23Å
871	V	96.9	Very high	96.1	Very high	94 Å²	94	64.6 Å²	64.6	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-68.5	-45.8	178.1	-178.7	0	0	0	0	110.7	N869 K875 W889	N869-V871 VanDerWaalsContact C-N 3.28Å; N869-V871 PolarHBondContact O-N 3.27Å; N869-V871 PolarHBondContact OD1-N 3.14Å; V871-K875 WeakPolarHBondContact O-CB 3.39Å; V871-K875 PolarHBondContact O-N 3.16Å; V871-W889 HydrophobicContact CG1-CZ2 4.34Å
872	L	96.3	Very high	95.7	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-68.2	-34	174.4	-71.6	-178.2	0	0	0	112	F848 L866 N869 K875 Y876 F884 L888 W889 Y892	F848-L872 HydrophobicContact CZ-CB 4.22Å; L866-L872 HydrophobicContact CD1-CB 4.07Å; L866-L872 HydrophobicContact CD1-CD1 3.63Å; N869-L872 HydrophobicContact CB-CB 4.17Å; N869-L872 HydrophobicContact CB-CD1 4.42Å; N869-L872 HydrophobicContact CB-CG 4.48Å; N869-L872 WeakPolarHBondContact ND2-CD1 3.27Å; N869-L872 PolarHBondContact O-N 2.97Å; N869-L872 PolarHBondContact OD1-N 3.41Å; L872-K875 PolarHBondContact O-N 3.42Å; L872-Y876 WeakPolarHBondContact O-CB 3.24Å; L872-Y876 PolarHBondContact O-N 3.31Å; L872-F884 HydrophobicContact CB-CE2 4.21Å; L872-F884 HydrophobicContact CB-CZ 4.24Å; L872-F884 HydrophobicContact CD2-CE2 4.27Å; L872-F884 VanDerWaalsContact O-CE2 3.32Å; L872-F884 WeakPolarHBondContact O-CE2 3.4Å; L872-L888 HydrophobicContact CD1-CD2 4.47Å; L872-W889 HydrophobicContact CD1-CD2 4.3Å; L872-W889 HydrophobicContact CD2-CZ2 4.35Å; L872-W889 HydrophobicContact CG-CZ2 4.23Å; L872-Y892 HydrophobicContact CD1-CD2 4.27Å; L872-Y892 HydrophobicContact CD1-CE2 3.52Å
873	R	96.3	Very high	95.5	Very high	102 Å²	102	63.7 Å²	63.7	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-55	172.3	-167.5	-175.6	-65.3	-142.8	-0.9	111.5	F848 Q867 N869 T870 K875 Y876 D877	F848-R873 HydrophobicContact CD1-CB 3.79Å; F848-R873 HydrophobicContact CD1-CG 3.74Å; F848-R873 HydrophobicContact CE1-CB 3.56Å; F848-R873 HydrophobicContact CE1-CG 4.04Å; F848-R873 HydrophobicContact CG-CG 4.08Å; F848-R873 HydrophobicContact CZ-CB 4.13Å; Q867-R873 PolarHBondContact O-NH2 2.91Å; N869-R873 PolarHBondContact O-N 3.04Å; T870-R873 PolarHBondContact O-N 2.99Å; R873-K875 PolarHBondContact O-N 3Å; R873-K875 VanDerWaalsContact O-N 3.12Å; R873-Y876 WeakPolarHBondContact O-CA 3.49Å; R873-Y876 WeakPolarHBondContact O-CB 3.3Å; R873-Y876 PolarHBondContact O-N 3.39Å; R873-D877 VanDerWaalsContact O-CG 3.23Å; R873-D877 PolarHBondContact O-N 2.86Å; R873-D877 VanDerWaalsContact O-OD2 3.13Å
874	T	96.8	Very high	95.4	Very high	96 Å²	96	63.7 Å²	63.7	59%	0.589	35%	0.346	S	S	*	.	H	α-helix	trans	-57.2	-30.8	176	-57.4	0	0	0	0	112.5	T870 K878	T870-T874 WeakPolarHBondContact O-CB 3.24Å; T870-T874 PolarHBondContact O-N 3.16Å; T870-T874 PolarHBondContact O-OG1 3.23Å; T874-K878 WeakPolarHBondContact O-CB 3.35Å; T874-K878 PolarHBondContact O-N 3.13Å
875	K	96.8	Very high	95.3	Very high	61 Å²	61	60.8 Å²	60.8	27%	0.265	33%	0.331	S	S	.	.	H	α-helix	trans	-73.1	-44.9	174.1	-178	57.5	174.9	-178.3	0	112.4	V871 L872 R873 K878 V879 F884 H887	V871-K875 WeakPolarHBondContact O-CB 3.39Å; V871-K875 PolarHBondContact O-N 3.16Å; L872-K875 PolarHBondContact O-N 3.42Å; R873-K875 PolarHBondContact O-N 3Å; R873-K875 VanDerWaalsContact O-N 3.12Å; K875-K878 PolarHBondContact O-N 2.97Å; K875-V879 HydrophobicContact CD-CG1 4.21Å; K875-V879 WeakPolarHBondContact O-CG2 3.44Å; K875-V879 PolarHBondContact O-N 2.88Å; K875-V879 VanDerWaalsContact O-N 3.09Å; K875-F884 HydrophobicContact CG-CD2 4.43Å; K875-H887 WeakPolarHBondContact CE-CD2 3.49Å; K875-H887 VanDerWaalsContact CE-CE1 3.41Å; K875-H887 WeakPolarHBondContact CE-CE1 3.13Å; K875-H887 VanDerWaalsContact CE-ND1 3.34Å; K875-H887 WeakPolarHBondContact CE-ND1 3.29Å; K875-H887 WeakPolarHBondContact CE-NE2 3.46Å; K875-H887 HydrophobicContact CG-CB 4.12Å; K875-H887 PolarHBondContact NZ-CD2 2.65Å; K875-H887 VanDerWaalsContact NZ-CD2 3.31Å; K875-H887 PolarHBondContact NZ-CE1 3.17Å; K875-H887 PolarHBondContact NZ-NE2 3.25Å
876	Y	96.1	Very high	95.1	Very high	40 Å²	40	60.5 Å²	60.5	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-50.6	173.8	168.5	-89.1	0	0	0	111.1	S845 P847 F848 L872 R873 K878 V879 G880 V881 F884	S845-Y876 PolarHBondContact O-OH 2.88Å; S845-Y876 VanDerWaalsContact O-OH 3.08Å; P847-Y876 HydrophobicContact CG-CD2 4.5Å; P847-Y876 HydrophobicContact CG-CE2 4.17Å; F848-Y876 AromaticContact CD2-CD1 3.67Å; F848-Y876 HydrophobicContact CD2-CD1 3.67Å; F848-Y876 AromaticContact CD2-CD2 3.91Å; F848-Y876 HydrophobicContact CD2-CD2 3.91Å; F848-Y876 HydrophobicContact CD2-CE1 4.06Å; F848-Y876 HydrophobicContact CD2-CE2 4.26Å; F848-Y876 AromaticContact CD2-CG 3.59Å; F848-Y876 HydrophobicContact CD2-CG 3.59Å; F848-Y876 VanDerWaalsContact CE2-CB 3.44Å; F848-Y876 HydrophobicContact CE2-CD1 4.05Å; F848-Y876 AromaticContact CE2-CD2 3.8Å; F848-Y876 HydrophobicContact CE2-CD2 3.8Å; F848-Y876 AromaticContact CE2-CG 3.51Å; F848-Y876 HydrophobicContact CE2-CG 3.51Å; L872-Y876 WeakPolarHBondContact O-CB 3.24Å; L872-Y876 PolarHBondContact O-N 3.31Å; R873-Y876 WeakPolarHBondContact O-CA 3.49Å; R873-Y876 WeakPolarHBondContact O-CB 3.3Å; R873-Y876 PolarHBondContact O-N 3.39Å; Y876-K878 PolarHBondContact O-N 3.09Å; Y876-K878 VanDerWaalsContact O-N 3.1Å; Y876-V879 PolarHBondContact O-N 2.69Å; Y876-G880 WeakPolarHBondContact O-CA 3.47Å; Y876-G880 PolarHBondContact O-N 3.38Å; Y876-V881 HydrophobicContact CD2-CG2 4.46Å; Y876-V881 HydrophobicContact CE2-CG2 3.82Å; Y876-F884 HydrophobicContact CD2-CB 4.29Å; Y876-F884 AromaticContact CD2-CD1 3.83Å; Y876-F884 HydrophobicContact CD2-CD1 3.83Å; Y876-F884 HydrophobicContact CD2-CD2 4.4Å; Y876-F884 HydrophobicContact CD2-CE1 4.28Å; Y876-F884 AromaticContact CD2-CG 3.9Å; Y876-F884 HydrophobicContact CD2-CG 3.9Å; Y876-F884 HydrophobicContact CG-CG 4.46Å
877	D	95.6	Very high	95	Very high	113 Å²	113	64 Å²	64	60%	0.604	34%	0.342	S	S	*	.	H	α-helix	trans	-58.8	-26.9	178.3	-59.6	-34.4	0	0	0	112.4	R873	R873-D877 VanDerWaalsContact O-CG 3.23Å; R873-D877 PolarHBondContact O-N 2.86Å; R873-D877 VanDerWaalsContact O-OD2 3.13Å
878	K	96.1	Very high	94.9	Very high	175 Å²	175	62.5 Å²	62.5	76%	0.761	34%	0.335	S	S	*	.	H	α-helix	trans	-88.6	-28.5	-178.7	179.7	169	179.7	172.6	0	115	T874 K875 Y876	T874-K878 WeakPolarHBondContact O-CB 3.35Å; T874-K878 PolarHBondContact O-N 3.13Å; K875-K878 PolarHBondContact O-N 2.97Å; Y876-K878 PolarHBondContact O-N 3.09Å; Y876-K878 VanDerWaalsContact O-N 3.1Å
879	V	94.3	Very high	94.7	Very high	50 Å²	50	63.7 Å²	63.7	30%	0.303	33%	0.325	S	S	.	.	H	α-helix	trans	-120.4	-19.9	-176	-52.9	0	0	0	0	114.9	K875 Y876 D883 F884	K875-V879 HydrophobicContact CD-CG1 4.21Å; K875-V879 WeakPolarHBondContact O-CG2 3.44Å; K875-V879 PolarHBondContact O-N 2.88Å; K875-V879 VanDerWaalsContact O-N 3.09Å; Y876-V879 PolarHBondContact O-N 2.69Å; V879-D883 HydrophobicContact CB-CB 4.42Å; V879-D883 HydrophobicContact CG2-CB 4.38Å; V879-F884 HydrophobicContact CG2-CB 4.05Å
880	G	93.2	Very high	94.5	Very high	28 Å²	28	67.9 Å²	67.9	29%	0.289	36%	0.356	S	S	.	.			trans	67	-177.6	-178.6	0	0	0	0	0	115	Y876 D883 F884	Y876-G880 WeakPolarHBondContact O-CA 3.47Å; Y876-G880 PolarHBondContact O-N 3.38Å; G880-D883 PolarHBondContact O-N 3.5Å; G880-F884 VanDerWaalsContact O-CB 3.24Å; G880-F884 WeakPolarHBondContact O-CB 3.14Å; G880-F884 PolarHBondContact O-N 3.06Å
881	V	91.3	Very high	94.4	Very high	36 Å²	36	66.5 Å²	66.5	22%	0.218	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	132.1	174.5	168.1	0	0	0	0	108.5	I770 F844 Y876 Y885	I770-V881 HydrophobicContact CD1-CG1 3.73Å; F844-V881 HydrophobicContact CD1-CG1 4.21Å; F844-V881 HydrophobicContact CE1-CG1 3.67Å; F844-V881 HydrophobicContact CZ-CG1 4.23Å; Y876-V881 HydrophobicContact CD2-CG2 4.46Å; Y876-V881 HydrophobicContact CE2-CG2 3.82Å; V881-Y885 HydrophobicContact CG1-CE2 3.96Å; V881-Y885 HydrophobicContact CG2-CE2 4.35Å
882	P	90.8	Very high	94.4	Very high	43 Å²	43	62.7 Å²	62.7	28%	0.279	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.8	-12.4	11.3	36.3	-36.1	0	0	0	116.5	I770 F884 Y885 L903	I770-P882 HydrophobicContact CG2-CG 4.44Å; P882-F884 PolarHBondContact O-N 3.43Å; P882-Y885 HydrophobicContact CB-CD2 4.33Å; P882-Y885 HydrophobicContact CB-CE2 4.44Å; P882-Y885 WeakPolarHBondContact O-CD2 3.38Å; P882-Y885 PolarHBondContact O-N 2.7Å; P882-Y885 VanDerWaalsContact O-N 3.08Å; P882-L903 HydrophobicContact CB-CD2 3.57Å
883	D	92.4	Very high	94.3	Very high	85 Å²	85	66.2 Å²	66.2	46%	0.455	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17	-169.9	-76.7	-39.8	0	0	0	114.3	V879 G880 Y885 H887	V879-D883 HydrophobicContact CB-CB 4.42Å; V879-D883 HydrophobicContact CG2-CB 4.38Å; G880-D883 PolarHBondContact O-N 3.5Å; D883-Y885 VanDerWaalsContact C-N 3.28Å; D883-Y885 PolarHBondContact O-N 2.89Å; D883-H887 PolarHBondContact O-CE1 3.49Å; D883-H887 VanDerWaalsContact O-CE1 3.25Å; D883-H887 PolarHBondContact O-ND1 3.15Å
884	F	94.9	Very high	94.3	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-42	169.8	173.4	-117.3	0	0	0	112.9	F848 L866 L872 K875 Y876 V879 G880 P882 K886 H887 L888	F848-F884 HydrophobicContact CE2-CE1 4.16Å; F848-F884 HydrophobicContact CE2-CE2 4.49Å; F848-F884 AromaticContact CE2-CZ 3.91Å; F848-F884 HydrophobicContact CE2-CZ 3.91Å; F848-F884 AromaticContact CZ-CZ 3.99Å; F848-F884 HydrophobicContact CZ-CZ 3.99Å; L866-F884 HydrophobicContact CD1-CZ 4.17Å; L872-F884 HydrophobicContact CB-CE2 4.21Å; L872-F884 HydrophobicContact CB-CZ 4.24Å; L872-F884 HydrophobicContact CD2-CE2 4.27Å; L872-F884 VanDerWaalsContact O-CE2 3.32Å; L872-F884 WeakPolarHBondContact O-CE2 3.4Å; K875-F884 HydrophobicContact CG-CD2 4.43Å; Y876-F884 HydrophobicContact CD2-CB 4.29Å; Y876-F884 AromaticContact CD2-CD1 3.83Å; Y876-F884 HydrophobicContact CD2-CD1 3.83Å; Y876-F884 HydrophobicContact CD2-CD2 4.4Å; Y876-F884 HydrophobicContact CD2-CE1 4.28Å; Y876-F884 AromaticContact CD2-CG 3.9Å; Y876-F884 HydrophobicContact CD2-CG 3.9Å; Y876-F884 HydrophobicContact CG-CG 4.46Å; V879-F884 HydrophobicContact CG2-CB 4.05Å; G880-F884 VanDerWaalsContact O-CB 3.24Å; G880-F884 WeakPolarHBondContact O-CB 3.14Å; G880-F884 PolarHBondContact O-N 3.06Å; P882-F884 PolarHBondContact O-N 3.43Å; F884-K886 VanDerWaalsContact C-N 3.29Å; F884-K886 PolarHBondContact O-N 2.98Å; F884-H887 WeakPolarHBondContact O-CA 3.42Å; F884-H887 WeakPolarHBondContact O-CB 3.45Å; F884-H887 PolarHBondContact O-N 2.95Å; F884-L888 HydrophobicContact CE1-CD2 3.87Å; F884-L888 HydrophobicContact CE1-CG 4.28Å; F884-L888 HydrophobicContact CZ-CD2 3.87Å
885	Y	94.8	Very high	94.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-67.3	-28.1	-170.7	-53.5	-55.8	0	0	0	114.2	F568 F844 V881 P882 D883 H887 L888 Y895 C899 L903	F568-Y885 VanDerWaalsContact CD2-C 3.48Å; F568-Y885 WeakPolarHBondContact CD2-O 3.49Å; F568-Y885 WeakPolarHBondContact CE2-O 3.25Å; F844-Y885 AromaticContact CD2-CE2 3.88Å; F844-Y885 HydrophobicContact CD2-CE2 3.88Å; F844-Y885 AromaticContact CD2-CZ 3.63Å; F844-Y885 WeakPolarHBondContact CD2-OH 3.41Å; F844-Y885 HydrophobicContact CE1-CE2 4.07Å; F844-Y885 HydrophobicContact CE2-CD2 4.03Å; F844-Y885 HydrophobicContact CE2-CE1 4.49Å; F844-Y885 AromaticContact CE2-CE2 3.2Å; F844-Y885 HydrophobicContact CE2-CE2 3.2Å; F844-Y885 AromaticContact CE2-CZ 3.47Å; F844-Y885 VanDerWaalsContact CE2-CZ 3.47Å; F844-Y885 WeakPolarHBondContact CE2-OH 3.29Å; F844-Y885 VanDerWaalsContact CG-OH 3.29Å; F844-Y885 WeakPolarHBondContact CG-OH 3.44Å; F844-Y885 HydrophobicContact CZ-CD2 4.26Å; F844-Y885 AromaticContact CZ-CE2 3.34Å; F844-Y885 HydrophobicContact CZ-CE2 3.34Å; F844-Y885 AromaticContact CZ-CZ 3.92Å; F844-Y885 PolarHBondContact O-OH 3.2Å; V881-Y885 HydrophobicContact CG1-CE2 3.96Å; V881-Y885 HydrophobicContact CG2-CE2 4.35Å; P882-Y885 HydrophobicContact CB-CD2 4.33Å; P882-Y885 HydrophobicContact CB-CE2 4.44Å; P882-Y885 WeakPolarHBondContact O-CD2 3.38Å; P882-Y885 PolarHBondContact O-N 2.7Å; P882-Y885 VanDerWaalsContact O-N 3.08Å; D883-Y885 VanDerWaalsContact C-N 3.28Å; D883-Y885 PolarHBondContact O-N 2.89Å; Y885-H887 PolarHBondContact O-N 3.34Å; Y885-L888 HydrophobicContact CD1-CD1 3.73Å; Y885-L888 HydrophobicContact CD1-CG 4.28Å; Y885-L888 WeakPolarHBondContact O-CB 3.36Å; Y885-L888 PolarHBondContact O-N 3.05Å; Y885-Y895 HydrophobicContact CE1-CE1 4.48Å; Y885-C899 HydrophobicContact CD1-CB 3.83Å; Y885-C899 WeakPolarHBondContact CD1-SG 3.4Å; Y885-C899 HydrophobicContact CD2-CB 4.38Å; Y885-C899 HydrophobicContact CE1-CB 4.06Å; Y885-C899 WeakPolarHBondContact CE1-SG 3.33Å; Y885-C899 HydrophobicContact CG-CB 3.98Å; Y885-L903 HydrophobicContact CD2-CD1 3.93Å; Y885-L903 HydrophobicContact CD2-CG 4.46Å
886	K	94.1	Very high	94.2	Very high	89 Å²	89	60.8 Å²	60.8	39%	0.387	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-58.2	-13	170.9	-53.2	-162.5	179.6	-166.6	0	113.2	F568 D569 F884	F568-K886 HydrophobicContact CB-CG 4.12Å; F568-K886 WeakPolarHBondContact O-CE 3.49Å; D569-K886 IonicContact OD1-NZ 3.69Å; D569-K886 PolarHBondContact OD1-NZ 3.34Å; F884-K886 VanDerWaalsContact C-N 3.29Å; F884-K886 PolarHBondContact O-N 2.98Å
887	H	94.4	Very high	94.2	Very high	73 Å²	73	62 Å²	62	34%	0.338	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-113.6	2.2	-179.6	-48.7	90.9	0	0	0	113.2	K875 D883 F884 Y885 W889	K875-H887 WeakPolarHBondContact CE-CD2 3.49Å; K875-H887 VanDerWaalsContact CE-CE1 3.41Å; K875-H887 WeakPolarHBondContact CE-CE1 3.13Å; K875-H887 VanDerWaalsContact CE-ND1 3.34Å; K875-H887 WeakPolarHBondContact CE-ND1 3.29Å; K875-H887 WeakPolarHBondContact CE-NE2 3.46Å; K875-H887 HydrophobicContact CG-CB 4.12Å; K875-H887 PolarHBondContact NZ-CD2 2.65Å; K875-H887 VanDerWaalsContact NZ-CD2 3.31Å; K875-H887 PolarHBondContact NZ-CE1 3.17Å; K875-H887 PolarHBondContact NZ-NE2 3.25Å; D883-H887 PolarHBondContact O-CE1 3.49Å; D883-H887 VanDerWaalsContact O-CE1 3.25Å; D883-H887 PolarHBondContact O-ND1 3.15Å; F884-H887 WeakPolarHBondContact O-CA 3.42Å; F884-H887 WeakPolarHBondContact O-CB 3.45Å; F884-H887 PolarHBondContact O-N 2.95Å; Y885-H887 PolarHBondContact O-N 3.34Å; H887-W889 PolarHBondContact O-N 3.18Å
888	L	93.3	Very high	94.1	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	31%	0.307	C	S	.	.			trans	-66.8	122.9	171.2	-80.7	177.6	0	0	0	110.4	F568 L866 L872 F884 Y885 Y895 R896	F568-L888 HydrophobicContact CZ-CD1 4.45Å; L866-L888 HydrophobicContact CD1-CD2 4.1Å; L872-L888 HydrophobicContact CD1-CD2 4.47Å; F884-L888 HydrophobicContact CE1-CD2 3.87Å; F884-L888 HydrophobicContact CE1-CG 4.28Å; F884-L888 HydrophobicContact CZ-CD2 3.87Å; Y885-L888 HydrophobicContact CD1-CD1 3.73Å; Y885-L888 HydrophobicContact CD1-CG 4.28Å; Y885-L888 WeakPolarHBondContact O-CB 3.36Å; Y885-L888 PolarHBondContact O-N 3.05Å; L888-Y895 HydrophobicContact CD1-CD1 3.69Å; L888-Y895 HydrophobicContact CD1-CE1 3.8Å; L888-Y895 HydrophobicContact CD2-CD1 4.1Å; L888-Y895 HydrophobicContact CD2-CE1 4.17Å; L888-R896 HydrophobicContact CB-CG 3.85Å; L888-R896 HydrophobicContact CD1-CG 3.94Å; L888-R896 PolarHBondContact O-NH1 3.17Å
889	W	92.2	Very high	94.1	Very high	124 Å²	124	48.8 Å²	48.8	47%	0.47	27%	0.271	S	S	.	.			trans	-64.4	152.6	177.1	-52.8	-17.2	0	0	0	111.5	N869 V871 L872 H887 S891 Y892 R896	N869-W889 VanDerWaalsContact ND2-CH2 3.3Å; N869-W889 WeakPolarHBondContact ND2-CH2 3.47Å; N869-W889 WeakPolarHBondContact ND2-CZ3 3.31Å; V871-W889 HydrophobicContact CG1-CZ2 4.34Å; L872-W889 HydrophobicContact CD1-CD2 4.3Å; L872-W889 HydrophobicContact CD2-CZ2 4.35Å; L872-W889 HydrophobicContact CG-CZ2 4.23Å; H887-W889 PolarHBondContact O-N 3.18Å; W889-S891 WeakPolarHBondContact CB-OG 3.45Å; W889-S891 PolarHBondContact O-N 2.92Å; W889-S891 VanDerWaalsContact O-N 3.09Å; W889-Y892 HydrophobicContact CB-CD2 4.16Å; W889-Y892 HydrophobicContact CB-CE2 4.29Å; W889-Y892 HydrophobicContact CD2-CE2 4.49Å; W889-Y892 HydrophobicContact CE3-CE2 4.09Å; W889-Y892 PolarHBondContact O-N 3.45Å; W889-R896 WeakPolarHBondContact O-CD 3.48Å
890	S	92.4	Very high	94.2	Very high	108 Å²	108	46.5 Å²	46.5	76%	0.755	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.5	176.9	48.5	0	0	0	0	114.1	Y892	S890-Y892 PolarHBondContact O-N 2.84Å
891	S	93.7	Very high	94.2	Very high	71 Å²	71	48.3 Å²	48.3	50%	0.497	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.2	171.6	56.9	0	0	0	0	114.6	W889 P893	W889-S891 WeakPolarHBondContact CB-OG 3.45Å; W889-S891 PolarHBondContact O-N 2.92Å; W889-S891 VanDerWaalsContact O-N 3.09Å; S891-P893 WeakPolarHBondContact O-CD 3.4Å
892	Y	95.8	Very high	94.3	Very high	13 Å²	13	46.6 Å²	46.6	5%	0.051	25%	0.245	C	C	.	.			trans	-114.5	58.8	178.7	-56.5	-83.4	0	0	0	111.3	E862 D865 L866 N869 L872 W889 S890 R896	E862-Y892 HydrophobicContact CB-CD1 4.23Å; E862-Y892 WeakPolarHBondContact O-CD1 3.41Å; E862-Y892 WeakPolarHBondContact O-CE1 3.4Å; E862-Y892 VanDerWaalsContact OE2-CA 3.3Å; E862-Y892 WeakPolarHBondContact OE2-CA 3.43Å; D865-Y892 HydrophobicContact CB-CE1 3.87Å; D865-Y892 PolarHBondContact O-OH 3.2Å; D865-Y892 VanDerWaalsContact O-OH 3.1Å; L866-Y892 HydrophobicContact CB-CD1 4.33Å; L866-Y892 HydrophobicContact CB-CE1 3.89Å; N869-Y892 PolarHBondContact ND2-OH 3.12Å; L872-Y892 HydrophobicContact CD1-CD2 4.27Å; L872-Y892 HydrophobicContact CD1-CE2 3.52Å; W889-Y892 HydrophobicContact CB-CD2 4.16Å; W889-Y892 HydrophobicContact CB-CE2 4.29Å; W889-Y892 HydrophobicContact CD2-CE2 4.49Å; W889-Y892 HydrophobicContact CE3-CE2 4.09Å; W889-Y892 PolarHBondContact O-N 3.45Å; S890-Y892 PolarHBondContact O-N 2.84Å; Y892-R896 VanDerWaalsContact O-CB 3.29Å; Y892-R896 WeakPolarHBondContact O-CB 3.44Å; Y892-R896 VanDerWaalsContact O-CG 3.24Å; Y892-R896 WeakPolarHBondContact O-CG 3.28Å; Y892-R896 PolarHBondContact O-N 3.08Å
893	P	95.6	Very high	94.5	Very high	78 Å²	78	44.7 Å²	44.7	51%	0.506	23%	0.233	S	C	.	.	H	α-helix	trans	-67.3	-40	-167.8	27.9	-36.1	0	0	0	113.8	E862 S891 S897	E862-P893 WeakPolarHBondContact OE1-CD 3.33Å; S891-P893 WeakPolarHBondContact O-CD 3.4Å; P893-S897 PolarHBondContact O-N 3.36Å
894	K	95.5	Very high	94.6	Very high	108 Å²	108	40.6 Å²	40.6	47%	0.47	21%	0.211	S	C	.	.	H	α-helix	trans	-74.4	-39.3	179.8	-54.9	169.6	-169.2	165.6	0	110.6	E858 L859 E862 S897 H898	E858-K894 WeakPolarHBondContact O-CD 3.38Å; E858-K894 WeakPolarHBondContact O-CE 3.48Å; E858-K894 PolarHBondContact O-NZ 3.38Å; L859-K894 HydrophobicContact CD2-CB 3.59Å; E862-K894 VanDerWaalsContact OE1-CB 3.3Å; E862-K894 WeakPolarHBondContact OE1-CB 3.1Å; E862-K894 VanDerWaalsContact OE1-CD 3.32Å; E862-K894 WeakPolarHBondContact OE1-CD 3.49Å; E862-K894 WeakPolarHBondContact OE1-CG 3.39Å; E862-K894 PolarHBondContact OE1-N 3.07Å; E862-K894 PolarHBondContact OE2-N 3.23Å; K894-S897 WeakPolarHBondContact O-CB 3.36Å; K894-S897 PolarHBondContact O-N 3.04Å; K894-H898 PolarHBondContact O-N 3.39Å
895	Y	96.1	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-37.4	175.7	-171.9	-105.8	0	0	0	111.6	L843 P847 E862 V863 L866 Y885 L888 S897 H898 C899	L843-Y895 HydrophobicContact CD1-CE2 4.06Å; L843-Y895 HydrophobicContact CD2-CE2 4.3Å; L843-Y895 HydrophobicContact CG-CE2 3.99Å; L843-Y895 PolarHBondContact O-OH 2.99Å; P847-Y895 WeakPolarHBondContact CB-OH 3.49Å; E862-Y895 PolarHBondContact OE2-N 3.43Å; V863-Y895 HydrophobicContact CG2-CD2 3.87Å; V863-Y895 HydrophobicContact CG2-CE2 4.24Å; L866-Y895 HydrophobicContact CD2-CD1 3.72Å; L866-Y895 HydrophobicContact CD2-CE1 3.39Å; L866-Y895 HydrophobicContact CD2-CG 4.46Å; Y885-Y895 HydrophobicContact CE1-CE1 4.48Å; L888-Y895 HydrophobicContact CD1-CD1 3.69Å; L888-Y895 HydrophobicContact CD1-CE1 3.8Å; L888-Y895 HydrophobicContact CD2-CD1 4.1Å; L888-Y895 HydrophobicContact CD2-CE1 4.17Å; Y895-S897 VanDerWaalsContact C-N 3.35Å; Y895-S897 PolarHBondContact O-N 3.39Å; Y895-H898 WeakPolarHBondContact O-CB 3.49Å; Y895-H898 PolarHBondContact O-N 3.2Å; Y895-C899 WeakPolarHBondContact CE1-SG 3.43Å; Y895-C899 PolarHBondContact O-N 3.48Å; Y895-C899 PolarHBondContact O-SG 3.46Å
896	R	96	Very high	94.1	Very high	38 Å²	38	41 Å²	41	14%	0.143	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-44.8	168.9	-79.7	175.4	58.3	94.8	6	111.8	D566 F568 L888 W889 Y892 C899 A900	D566-R896 VanDerWaalsContact CG-NH2 3.34Å; D566-R896 PolarHBondContact O-NH2 2.96Å; D566-R896 IonicContact OD1-CZ 2.66Å; D566-R896 IonicContact OD1-NH2 3.88Å; D566-R896 PolarHBondContact OD1-NH2 3.19Å; D566-R896 IonicContact OD2-NH2 3.64Å; F568-R896 WeakPolarHBondContact CE1-O 3.43Å; F568-R896 HydrophobicContact CE2-CG 4.14Å; F568-R896 HydrophobicContact CZ-CB 3.87Å; F568-R896 HydrophobicContact CZ-CG 3.9Å; F568-R896 WeakPolarHBondContact CZ-O 3.2Å; L888-R896 HydrophobicContact CB-CG 3.85Å; L888-R896 HydrophobicContact CD1-CG 3.94Å; L888-R896 PolarHBondContact O-NH1 3.17Å; W889-R896 WeakPolarHBondContact O-CD 3.48Å; Y892-R896 VanDerWaalsContact O-CB 3.29Å; Y892-R896 WeakPolarHBondContact O-CB 3.44Å; Y892-R896 VanDerWaalsContact O-CG 3.24Å; Y892-R896 WeakPolarHBondContact O-CG 3.28Å; Y892-R896 PolarHBondContact O-N 3.08Å; R896-C899 PolarHBondContact O-N 3.27Å; R896-A900 PolarHBondContact O-N 3.46Å
897	S	94.7	Very high	93.2	Very high	65 Å²	65	37.3 Å²	37.3	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-60	-46	174.6	-174.5	0	0	0	0	112.1	P893 K894 Y895 C899 A900 R901	P893-S897 PolarHBondContact O-N 3.36Å; K894-S897 WeakPolarHBondContact O-CB 3.36Å; K894-S897 PolarHBondContact O-N 3.04Å; Y895-S897 VanDerWaalsContact C-N 3.35Å; Y895-S897 PolarHBondContact O-N 3.39Å; S897-C899 PolarHBondContact O-N 2.96Å; S897-A900 PolarHBondContact O-N 3.3Å; S897-R901 WeakPolarHBondContact O-CG 3.27Å; S897-R901 PolarHBondContact O-N 3.31Å
898	H	94.8	Very high	92.4	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.046	19%	0.185	C	C	.	.	H	α-helix	trans	-53.7	-51.2	173.9	-179.7	59.1	0	0	0	112.2	E840 L859 K894 Y895 A900 R901 M902	E840-H898 PolarHBondContact O-NE2 3Å; E840-H898 VanDerWaalsContact O-NE2 3.15Å; E840-H898 IonicContact OE2-CE1 3.27Å; E840-H898 IonicContact OE2-ND1 2.74Å; L859-H898 HydrophobicContact CD1-CB 3.98Å; L859-H898 HydrophobicContact CD2-CB 4.36Å; K894-H898 PolarHBondContact O-N 3.39Å; Y895-H898 WeakPolarHBondContact O-CB 3.49Å; Y895-H898 PolarHBondContact O-N 3.2Å; H898-A900 PolarHBondContact O-N 3.24Å; H898-R901 PolarHBondContact O-N 2.93Å; H898-M902 WeakPolarHBondContact O-CG 3.32Å; H898-M902 PolarHBondContact O-N 3.45Å
899	C	95.7	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-40.1	178.7	-66	0	0	0	0	112.8	F568 F844 Y885 Y895 R896 S897 R901 M902 L903	F568-C899 HydrophobicContact CE1-CB 3.87Å; F568-C899 HydrophobicContact CZ-CB 4.28Å; F844-C899 HydrophobicContact CD2-CB 4.32Å; F844-C899 HydrophobicContact CE2-CB 4.2Å; F844-C899 WeakPolarHBondContact CE2-O 3.41Å; Y885-C899 HydrophobicContact CD1-CB 3.83Å; Y885-C899 WeakPolarHBondContact CD1-SG 3.4Å; Y885-C899 HydrophobicContact CD2-CB 4.38Å; Y885-C899 HydrophobicContact CE1-CB 4.06Å; Y885-C899 WeakPolarHBondContact CE1-SG 3.33Å; Y885-C899 HydrophobicContact CG-CB 3.98Å; Y895-C899 WeakPolarHBondContact CE1-SG 3.43Å; Y895-C899 PolarHBondContact O-N 3.48Å; Y895-C899 PolarHBondContact O-SG 3.46Å; R896-C899 PolarHBondContact O-N 3.27Å; S897-C899 PolarHBondContact O-N 2.96Å; C899-R901 VanDerWaalsContact C-N 3.35Å; C899-M902 PolarHBondContact O-N 2.9Å; C899-L903 WeakPolarHBondContact O-CB 3.47Å; C899-L903 VanDerWaalsContact O-CG 3.31Å; C899-L903 WeakPolarHBondContact O-CG 3.49Å; C899-L903 PolarHBondContact O-N 3.38Å
900	A	95.9	Very high	90.9	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-39.2	178.2	0	0	0	0	0	111.3	V539 A540 V564 F568 R896 S897 H898 L903 S904	V539-A900 HydrophobicContact CG2-CB 3.69Å; A540-A900 HydrophobicContact CB-CB 4.27Å; V564-A900 HydrophobicContact CG1-CB 4.25Å; F568-A900 HydrophobicContact CD1-CB 4.21Å; F568-A900 HydrophobicContact CE1-CB 3.81Å; R896-A900 PolarHBondContact O-N 3.46Å; S897-A900 PolarHBondContact O-N 3.3Å; H898-A900 PolarHBondContact O-N 3.24Å; A900-L903 PolarHBondContact O-N 2.97Å; A900-S904 WeakPolarHBondContact O-CB 3.45Å; A900-S904 PolarHBondContact O-N 2.65Å
901	R	94.5	Very high	90.1	Very high	66 Å²	66	25.4 Å²	25.4	25%	0.249	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-51.3	174.2	-69.8	179.1	72.7	173.8	1.3	111.1	A540 V608 S897 H898 C899 L903 S904	A540-R901 HydrophobicContact CB-CG 4.15Å; V608-R901 HydrophobicContact CG1-CB 3.93Å; V608-R901 HydrophobicContact CG1-CG 4.49Å; V608-R901 HydrophobicContact CG2-CB 3.9Å; V608-R901 HydrophobicContact CG2-CG 3.71Å; S897-R901 WeakPolarHBondContact O-CG 3.27Å; S897-R901 PolarHBondContact O-N 3.31Å; H898-R901 PolarHBondContact O-N 2.93Å; C899-R901 VanDerWaalsContact C-N 3.35Å; R901-L903 PolarHBondContact O-N 3.01Å; R901-S904 PolarHBondContact O-N 2.78Å; R901-S904 PolarHBondContact O-OG 2.8Å
902	M	93.5	Very high	89.4	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-39.1	178.2	-66.5	-59.9	100.3	0	0	113.1	E840 L841 F844 H898 C899 S904 M905	E840-M902 HydrophobicContact CB-SD 4.26Å; L841-M902 HydrophobicContact CD2-SD 4.13Å; F844-M902 HydrophobicContact CB-CB 4.45Å; F844-M902 HydrophobicContact CB-CG 4.14Å; F844-M902 HydrophobicContact CD1-CB 4.44Å; F844-M902 HydrophobicContact CD2-CB 3.43Å; F844-M902 VanDerWaalsContact CD2-CB 3.43Å; F844-M902 HydrophobicContact CD2-CG 3.87Å; F844-M902 HydrophobicContact CE2-CB 3.56Å; F844-M902 HydrophobicContact CE2-CG 4.48Å; F844-M902 HydrophobicContact CG-CB 3.89Å; F844-M902 HydrophobicContact CG-CG 4.11Å; F844-M902 HydrophobicContact CZ-CB 4.12Å; H898-M902 WeakPolarHBondContact O-CG 3.32Å; H898-M902 PolarHBondContact O-N 3.45Å; C899-M902 PolarHBondContact O-N 2.9Å; M902-S904 VanDerWaalsContact C-N 3.32Å; M902-S904 PolarHBondContact O-N 2.37Å; M902-M905 HydrophobicContact CE-SD 3.82Å; M902-M905 PolarHBondContact O-N 3.12Å; M902-M905 HydrophobicContact SD-SD 4.14Å
903	L	93.9	Very high	88.1	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-33.4	176.1	-79.2	166.7	0	0	0	113.4	R562 V564 F568 V570 I770 F844 P882 Y885 C899 A900 R901 M905	R562-L903 PolarHBondContact NE-O 3.09Å; R562-L903 PolarHBondContact NH2-O 3.25Å; V564-L903 HydrophobicContact CG1-CB 4.37Å; V564-L903 HydrophobicContact CG1-CD1 4.41Å; V564-L903 HydrophobicContact CG2-CB 3.74Å; F568-L903 HydrophobicContact CB-CD1 4.2Å; F568-L903 HydrophobicContact CD1-CD1 3.56Å; F568-L903 HydrophobicContact CE1-CD1 4.33Å; F568-L903 HydrophobicContact CG-CD1 4.28Å; V570-L903 HydrophobicContact CG2-CB 4.39Å; V570-L903 HydrophobicContact CG2-CD2 4.32Å; I770-L903 HydrophobicContact CG2-CD2 4.15Å; F844-L903 HydrophobicContact CE2-CD2 4.47Å; F844-L903 HydrophobicContact CE2-CG 3.95Å; F844-L903 HydrophobicContact CZ-CD2 3.85Å; F844-L903 HydrophobicContact CZ-CG 3.81Å; P882-L903 HydrophobicContact CB-CD2 3.57Å; Y885-L903 HydrophobicContact CD2-CD1 3.93Å; Y885-L903 HydrophobicContact CD2-CG 4.46Å; C899-L903 WeakPolarHBondContact O-CB 3.47Å; C899-L903 VanDerWaalsContact O-CG 3.31Å; C899-L903 WeakPolarHBondContact O-CG 3.49Å; C899-L903 PolarHBondContact O-N 3.38Å; A900-L903 PolarHBondContact O-N 2.97Å; R901-L903 PolarHBondContact O-N 3.01Å; L903-M905 VanDerWaalsContact C-N 3.27Å; L903-M905 PolarHBondContact O-N 3.43Å
904	S	94.4	Very high	87	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.6	-21.8	-179.2	80	0	0	0	0	113.6	S542 R562 A900 R901 M902 F906	S542-S904 WeakPolarHBondContact CB-O 3.45Å; S542-S904 PolarHBondContact OG-O 2.96Å; S542-S904 PolarHBondContact OG-OG 3.31Å; R562-S904 WeakPolarHBondContact CB-O 3.26Å; R562-S904 VanDerWaalsContact CD-O 3.32Å; R562-S904 WeakPolarHBondContact CD-O 3.25Å; R562-S904 VanDerWaalsContact CG-O 3.27Å; R562-S904 WeakPolarHBondContact CG-O 3.4Å; A900-S904 WeakPolarHBondContact O-CB 3.45Å; A900-S904 PolarHBondContact O-N 2.65Å; R901-S904 PolarHBondContact O-N 2.78Å; R901-S904 PolarHBondContact O-OG 2.8Å; M902-S904 VanDerWaalsContact C-N 3.32Å; M902-S904 PolarHBondContact O-N 2.37Å; S904-F906 PolarHBondContact O-N 2.7Å
905	M	92.2	Very high	85.9	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.015	9%	0.094	C	C	.	.			trans	-65.5	125.6	-175.2	-66.6	-176.2	68.1	0	0	111.5	R562 V608 K643 V645 V771 M902 L903	R562-M905 PolarHBondContact NE-O 3.12Å; V608-M905 HydrophobicContact CG1-CG 4.06Å; K643-M905 HydrophobicContact CB-CE 4.26Å; K643-M905 HydrophobicContact CD-CE 4.32Å; K643-M905 HydrophobicContact CD-SD 4.4Å; V645-M905 HydrophobicContact CG2-CE 4.06Å; V771-M905 HydrophobicContact CB-CB 4.09Å; V771-M905 HydrophobicContact CG1-CB 4.07Å; V771-M905 HydrophobicContact CG1-SD 4.41Å; V771-M905 HydrophobicContact CG2-CB 4.38Å; V771-M905 HydrophobicContact CG2-CE 4.29Å; M902-M905 HydrophobicContact CE-SD 3.82Å; M902-M905 PolarHBondContact O-N 3.12Å; M902-M905 HydrophobicContact SD-SD 4.14Å; L903-M905 VanDerWaalsContact C-N 3.27Å; L903-M905 PolarHBondContact O-N 3.43Å
906	F	87.3	Confident	84.3	Confident	4 Å²	4	21.8 Å²	21.8	2%	0.018	11%	0.108	C	C	.	.			trans	-67.1	136.7	163.3	-81.1	-72.8	0	0	0	109.9	I543 A544 F560 R562 E572 A611 S904 I911	I543-F906 VanDerWaalsContact C-CD2 3.46Å; A544-F906 HydrophobicContact CB-CB 4.3Å; A544-F906 HydrophobicContact CB-CD1 4.01Å; A544-F906 HydrophobicContact CB-CD2 3.57Å; A544-F906 HydrophobicContact CB-CE1 4.14Å; A544-F906 HydrophobicContact CB-CE2 3.68Å; A544-F906 HydrophobicContact CB-CG 3.72Å; A544-F906 HydrophobicContact CB-CZ 3.96Å; A544-F906 VanDerWaalsContact N-CE2 3.3Å; F560-F906 HydrophobicContact CB-CE2 4.39Å; F560-F906 HydrophobicContact CB-CZ 3.83Å; R562-F906 HydrophobicContact CB-CD1 4.15Å; R562-F906 HydrophobicContact CB-CD2 3.76Å; R562-F906 HydrophobicContact CB-CE1 3.79Å; R562-F906 HydrophobicContact CB-CE2 3.38Å; R562-F906 HydrophobicContact CB-CG 4.15Å; R562-F906 HydrophobicContact CB-CZ 3.41Å; R562-F906 VanDerWaalsContact CB-CZ 3.41Å; R562-F906 VanDerWaalsContact N-CE2 3.26Å; E572-F906 HydrophobicContact CG-CE1 4.29Å; A611-F906 HydrophobicContact CB-CB 3.78Å; S904-F906 PolarHBondContact O-N 2.7Å; F906-I911 HydrophobicContact CE1-CD1 4.1Å; F906-I911 HydrophobicContact CE1-CG2 3.95Å; F906-I911 HydrophobicContact CZ-CG2 4.46Å
907	S	76	Confident	82.6	Confident	13 Å²	13	23 Å²	23	9%	0.091	12%	0.121	C	C	.	.	S	Bend	trans	-74.7	-35.1	170.9	50.5	0	0	0	0	112.1	V645 M774	V645-S907 VanDerWaalsContact CG1-O 3.26Å; V645-S907 WeakPolarHBondContact CG1-O 3.38Å; M774-S907 WeakPolarHBondContact CE-O 3.27Å
908	S	77.2	Confident	81.2	Confident	7 Å²	7	24.6 Å²	24.6	5%	0.049	12%	0.124	C	C	.	.			trans	-155.3	179.6	-172	67.7	0	0	0	0	112.5	I649 H910	I649-S908 VanDerWaalsContact CD1-OG 3.29Å; I649-S908 WeakPolarHBondContact CD1-OG 3.49Å; S908-H910 WeakPolarHBondContact OG-CB 3.43Å; S908-H910 PolarHBondContact OG-N 3.29Å
909	T	78.3	Confident	79.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-90.9	7.3	167.7	59.3	0	0	0	0	113.7	I545 D546 A611 S612 C647 I911 C912	I545-T909 WeakPolarHBondContact O-CG2 3.48Å; D546-T909 HydrophobicContact CB-CG2 4.43Å; D546-T909 WeakPolarHBondContact OD2-CB 3.48Å; D546-T909 PolarHBondContact OD2-OG1 2.88Å; A611-T909 HydrophobicContact CB-CG2 4.38Å; S612-T909 VanDerWaalsContact CA-CG2 3.49Å; C647-T909 HydrophobicContact CB-CG2 4.28Å; C647-T909 PolarHBondContact SG-OG1 2.99Å; T909-I911 PolarHBondContact O-N 3.12Å; T909-C912 WeakPolarHBondContact O-CA 3.21Å; T909-C912 VanDerWaalsContact O-CB 3.24Å; T909-C912 WeakPolarHBondContact O-CB 3.24Å; T909-C912 PolarHBondContact O-N 3.35Å
910	H	75.2	Confident	77.5	Confident	24 Å²	24	30.7 Å²	30.7	11%	0.111	15%	0.153	C	C	.	.	H	α-helix	trans	-57.2	-27.4	-173.6	-178.5	62.6	0	0	0	114.2	I649 Q765 S908 C912 E913 Q914	I649-H910 HydrophobicContact CD1-CB 4.1Å; Q765-H910 VanDerWaalsContact CD-CE1 3.43Å; S908-H910 WeakPolarHBondContact OG-CB 3.43Å; S908-H910 PolarHBondContact OG-N 3.29Å; H910-C912 PolarHBondContact O-N 3.39Å; H910-E913 IonicContact CE1-OE2 2.83Å; H910-E913 IonicContact CG-OE2 3.95Å; H910-E913 IonicContact ND1-OE2 2.7Å; H910-E913 PolarHBondContact ND1-OE2 2.8Å; H910-E913 WeakPolarHBondContact O-CB 3.3Å; H910-E913 PolarHBondContact O-N 3.03Å; H910-Q914 PolarHBondContact CD2-NE2 3.48Å; H910-Q914 PolarHBondContact NE2-NE2 3.34Å; H910-Q914 WeakPolarHBondContact O-CG 3.37Å; H910-Q914 PolarHBondContact O-N 2.63Å
911	I	76.9	Confident	75.2	Confident	29 Å²	29	35.5 Å²	35.5	15%	0.149	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-29.8	172.8	-164.1	168.6	0	0	0	112.8	A544 F560 E572 F906 T909 L915	A544-I911 HydrophobicContact CB-CG2 4.06Å; F560-I911 HydrophobicContact CB-CD1 4.5Å; F560-I911 HydrophobicContact CB-CG2 3.94Å; F560-I911 HydrophobicContact CD1-CD1 3.45Å; F560-I911 VanDerWaalsContact CD1-CD1 3.45Å; F560-I911 HydrophobicContact CD1-CG1 3.67Å; F560-I911 HydrophobicContact CD1-CG2 4.26Å; F560-I911 HydrophobicContact CD2-CG1 4.43Å; F560-I911 HydrophobicContact CD2-CG2 3.92Å; F560-I911 HydrophobicContact CE1-CD1 3.79Å; F560-I911 HydrophobicContact CE1-CG1 3.64Å; F560-I911 HydrophobicContact CE2-CG1 4.39Å; F560-I911 HydrophobicContact CE2-CG2 4.48Å; F560-I911 HydrophobicContact CG-CD1 4.07Å; F560-I911 HydrophobicContact CG-CG1 4.08Å; F560-I911 HydrophobicContact CG-CG2 3.78Å; F560-I911 HydrophobicContact CZ-CG1 4.01Å; E572-I911 HydrophobicContact CB-CD1 3.96Å; F906-I911 HydrophobicContact CE1-CD1 4.1Å; F906-I911 HydrophobicContact CE1-CG2 3.95Å; F906-I911 HydrophobicContact CZ-CG2 4.46Å; T909-I911 PolarHBondContact O-N 3.12Å; I911-L915 PolarHBondContact O-N 2.86Å
912	C	78.2	Confident	72.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-74.8	-36.8	172.4	-54.6	0	0	0	0	112.2	D546 I548 A558 T909 H910 Q914 L915 F916	D546-C912 HydrophobicContact CB-CB 3.38Å; I548-C912 HydrophobicContact CG2-CB 4.33Å; A558-C912 HydrophobicContact CB-CB 4.11Å; T909-C912 WeakPolarHBondContact O-CA 3.21Å; T909-C912 VanDerWaalsContact O-CB 3.24Å; T909-C912 WeakPolarHBondContact O-CB 3.24Å; T909-C912 PolarHBondContact O-N 3.35Å; H910-C912 PolarHBondContact O-N 3.39Å; C912-Q914 VanDerWaalsContact C-N 3.33Å; C912-L915 WeakPolarHBondContact O-CB 3.3Å; C912-L915 PolarHBondContact O-N 3.49Å; C912-F916 PolarHBondContact O-N 2.88Å; C912-F916 VanDerWaalsContact O-N 3.08Å
913	E	68.5	Low	70.1	Confident	52 Å²	52	39 Å²	39	24%	0.243	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-35.6	173.8	-56.1	177.9	138.2	0	0	111.6	H650 H910 F916 S917	H650-E913 IonicContact CE1-OE1 2.78Å; H650-E913 PolarHBondContact CE1-OE1 2.97Å; H650-E913 IonicContact ND1-OE1 2.71Å; H650-E913 PolarHBondContact ND1-OE1 3.02Å; H910-E913 IonicContact CE1-OE2 2.83Å; H910-E913 IonicContact CG-OE2 3.95Å; H910-E913 IonicContact ND1-OE2 2.7Å; H910-E913 PolarHBondContact ND1-OE2 2.8Å; H910-E913 WeakPolarHBondContact O-CB 3.3Å; H910-E913 PolarHBondContact O-N 3.03Å; E913-F916 PolarHBondContact O-N 3.15Å; E913-S917 PolarHBondContact O-N 2.92Å; E913-S917 PolarHBondContact O-OG 2.86Å
914	Q	72.3	Confident	67.3	Low	57 Å²	57	45 Å²	45	27%	0.266	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-40.8	171.1	-69.2	-173.6	3.5	0	0	111.2	H910 C912 S917 I918	H910-Q914 PolarHBondContact CD2-NE2 3.48Å; H910-Q914 PolarHBondContact NE2-NE2 3.34Å; H910-Q914 WeakPolarHBondContact O-CG 3.37Å; H910-Q914 PolarHBondContact O-N 2.63Å; C912-Q914 VanDerWaalsContact C-N 3.33Å; Q914-S917 WeakPolarHBondContact O-CB 3.49Å; Q914-S917 PolarHBondContact O-N 2.97Å; Q914-S917 VanDerWaalsContact O-N 3.17Å; Q914-I918 WeakPolarHBondContact O-CG1 3.42Å; Q914-I918 PolarHBondContact O-N 3.27Å
915	L	71.5	Confident	64.4	Low	21 Å²	21	51 Å²	51	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-45.9	173.9	-179.8	59.9	0	0	0	112.2	I548 A558 F560 L574 T577 I911 C912 S917 I918 L919	I548-L915 HydrophobicContact CD1-CD2 3.88Å; I548-L915 HydrophobicContact CD1-CG 4.1Å; A558-L915 HydrophobicContact CB-CD2 4.13Å; F560-L915 HydrophobicContact CE2-CB 4.08Å; F560-L915 HydrophobicContact CE2-CD2 3.81Å; F560-L915 HydrophobicContact CZ-CB 4.02Å; F560-L915 HydrophobicContact CZ-CD2 4.01Å; F560-L915 HydrophobicContact CZ-CG 4.49Å; L574-L915 HydrophobicContact CD1-CD2 3.97Å; L574-L915 HydrophobicContact CD2-CD1 4.33Å; L574-L915 HydrophobicContact CD2-CD2 4.05Å; T577-L915 HydrophobicContact CG2-CD2 3.95Å; I911-L915 PolarHBondContact O-N 2.86Å; C912-L915 WeakPolarHBondContact O-CB 3.3Å; C912-L915 PolarHBondContact O-N 3.49Å; L915-S917 PolarHBondContact O-N 2.96Å; L915-I918 PolarHBondContact O-N 2.87Å; L915-I918 VanDerWaalsContact O-N 3.17Å; L915-L919 HydrophobicContact CD1-CD1 4.27Å; L915-L919 HydrophobicContact CD1-CG 4.19Å; L915-L919 HydrophobicContact CG-CD1 4Å; L915-L919 HydrophobicContact CG-CG 4.39Å; L915-L919 WeakPolarHBondContact O-CB 3.49Å; L915-L919 VanDerWaalsContact O-CG 3.3Å; L915-L919 WeakPolarHBondContact O-CG 3.24Å; L915-L919 PolarHBondContact O-N 3.02Å
916	F	63.3	Low	61.6	Low	64 Å²	64	53.6 Å²	53.6	28%	0.281	28%	0.278	S	S	.	.	H	α-helix	trans	-57.6	-38.1	174	170.9	-127.6	0	0	0	112.6	I548 T549 C912 E913 K920	I548-F916 HydrophobicContact CB-CB 4.44Å; I548-F916 HydrophobicContact CG2-CB 4.23Å; T549-F916 WeakPolarHBondContact O-CD2 3.29Å; T549-F916 WeakPolarHBondContact O-CE2 3.42Å; C912-F916 PolarHBondContact O-N 2.88Å; C912-F916 VanDerWaalsContact O-N 3.08Å; E913-F916 PolarHBondContact O-N 3.15Å; F916-K920 HydrophobicContact CD2-CD 4.5Å; F916-K920 HydrophobicContact CE1-CD 4.45Å; F916-K920 HydrophobicContact CE2-CD 4.16Å; F916-K920 VanDerWaalsContact CE2-CE 3.49Å; F916-K920 HydrophobicContact CE2-CG 4.48Å; F916-K920 HydrophobicContact CZ-CD 4.18Å; F916-K920 PolarHBondContact O-N 3.38Å; F916-K920 VanDerWaalsContact O-N 3.14Å
917	S	60.8	Low	58.9	Low	62 Å²	62	59.2 Å²	59.2	43%	0.434	30%	0.304	S	S	.	.	H	α-helix	trans	-67.5	-40.5	176.5	-57.7	0	0	0	0	112.3	E913 Q914 L915 K920 L921	E913-S917 PolarHBondContact O-N 2.92Å; E913-S917 PolarHBondContact O-OG 2.86Å; Q914-S917 WeakPolarHBondContact O-CB 3.49Å; Q914-S917 PolarHBondContact O-N 2.97Å; Q914-S917 VanDerWaalsContact O-N 3.17Å; L915-S917 PolarHBondContact O-N 2.96Å; S917-K920 PolarHBondContact O-N 2.89Å; S917-L921 WeakPolarHBondContact O-CG 3.26Å; S917-L921 PolarHBondContact O-N 3.46Å
918	I	64.3	Low	56.7	Low	99 Å²	99	67.3 Å²	67.3	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-44.1	175	-66.5	163.4	0	0	0	111.1	Q914 L915 K920 L921 S922	Q914-I918 WeakPolarHBondContact O-CG1 3.42Å; Q914-I918 PolarHBondContact O-N 3.27Å; L915-I918 PolarHBondContact O-N 2.87Å; L915-I918 VanDerWaalsContact O-N 3.17Å; I918-K920 PolarHBondContact O-N 2.86Å; I918-L921 PolarHBondContact O-N 3.36Å; I918-S922 PolarHBondContact O-N 3.3Å
919	L	60	Low	54.4	Low	53 Å²	53	68.6 Å²	68.6	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-26.5	177.5	-70	171	0	0	0	113.2	I548 L915 S922	I548-L919 HydrophobicContact CD1-CD1 3.86Å; L915-L919 HydrophobicContact CD1-CD1 4.27Å; L915-L919 HydrophobicContact CD1-CG 4.19Å; L915-L919 HydrophobicContact CG-CD1 4Å; L915-L919 HydrophobicContact CG-CG 4.39Å; L915-L919 WeakPolarHBondContact O-CB 3.49Å; L915-L919 VanDerWaalsContact O-CG 3.3Å; L915-L919 WeakPolarHBondContact O-CG 3.24Å; L915-L919 PolarHBondContact O-N 3.02Å; L919-S922 PolarHBondContact O-OG 2.84Å
920	K	54.3	Low	52.1	Low	86 Å²	86	71.2 Å²	71.2	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-74.7	-37.2	170.4	-82.7	172.8	164.6	172.7	0	113.4	I551 F916 S917 I918	I551-K920 HydrophobicContact CG2-CG 3.96Å; F916-K920 HydrophobicContact CD2-CD 4.5Å; F916-K920 HydrophobicContact CE1-CD 4.45Å; F916-K920 HydrophobicContact CE2-CD 4.16Å; F916-K920 VanDerWaalsContact CE2-CE 3.49Å; F916-K920 HydrophobicContact CE2-CG 4.48Å; F916-K920 HydrophobicContact CZ-CD 4.18Å; F916-K920 PolarHBondContact O-N 3.38Å; F916-K920 VanDerWaalsContact O-N 3.14Å; S917-K920 PolarHBondContact O-N 2.89Å; I918-K920 PolarHBondContact O-N 2.86Å
921	L	47.8	Very low	49.9	Very low	104 Å²	104	72.4 Å²	72.4	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-73.9	-38.8	-178.7	-70.4	170.8	0	0	0	111.9	S917 I918 K923 K924 E925	S917-L921 WeakPolarHBondContact O-CG 3.26Å; S917-L921 PolarHBondContact O-N 3.46Å; I918-L921 PolarHBondContact O-N 3.36Å; L921-K923 PolarHBondContact O-N 3.32Å; L921-K924 WeakPolarHBondContact O-CB 3.48Å; L921-K924 PolarHBondContact O-N 3.48Å; L921-E925 PolarHBondContact O-N 3Å; L921-E925 VanDerWaalsContact O-N 3.15Å
922	S	41.6	Very low	47.6	Very low	58 Å²	58	76.4 Å²	76.4	41%	0.406	40%	0.404	S	S	.	.	H	α-helix	trans	-59.1	-30.5	-178.9	66.2	0	0	0	0	113.4	I918 L919 E925 A926	I918-S922 PolarHBondContact O-N 3.3Å; L919-S922 PolarHBondContact O-OG 2.84Å; S922-E925 PolarHBondContact O-N 3.23Å; S922-A926 WeakPolarHBondContact O-CB 3.28Å; S922-A926 PolarHBondContact O-N 3.47Å
923	K	39	Very low	45.3	Very low	82 Å²	82	81.7 Å²	81.7	36%	0.357	43%	0.429	S	S	.	.	H	α-helix	trans	-74.8	-27.3	173.4	-142.7	-167.3	-142.9	161.3	0	113.3	I551 N552 L921 Q927	I551-K923 HydrophobicContact CD1-CB 3.92Å; I551-K923 HydrophobicContact CD1-CD 3.66Å; I551-K923 HydrophobicContact CD1-CG 3.94Å; N552-K923 PolarHBondContact OD1-NZ 3.29Å; L921-K923 PolarHBondContact O-N 3.32Å; K923-Q927 HydrophobicContact CG-CG 4.48Å; K923-Q927 VanDerWaalsContact O-CB 3.24Å; K923-Q927 WeakPolarHBondContact O-CB 3.33Å; K923-Q927 VanDerWaalsContact O-CG 3.3Å; K923-Q927 WeakPolarHBondContact O-CG 3.39Å; K923-Q927 PolarHBondContact O-N 2.86Å
924	K	35.1	Very low	43.5	Very low	126 Å²	126	81.6 Å²	81.6	55%	0.548	43%	0.432	S	S	.	.	H	α-helix	trans	-67.1	-44.2	170.4	-73.7	-170.6	176.2	-177.3	0	110.3	L921 Q927 W928	L921-K924 WeakPolarHBondContact O-CB 3.48Å; L921-K924 PolarHBondContact O-N 3.48Å; K924-Q927 PolarHBondContact O-N 3.26Å; K924-W928 VanDerWaalsContact O-CB 3.25Å; K924-W928 WeakPolarHBondContact O-CB 3.45Å; K924-W928 VanDerWaalsContact O-CG 3.31Å; K924-W928 PolarHBondContact O-N 3.07Å
925	E	32	Very low	41.2	Very low	126 Å²	126	81.9 Å²	81.9	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-73	-27.7	176.7	-68.1	-179.1	158.8	0	0	112.9	L921 S922 G929	L921-E925 PolarHBondContact O-N 3Å; L921-E925 VanDerWaalsContact O-N 3.15Å; S922-E925 PolarHBondContact O-N 3.23Å; E925-G929 VanDerWaalsContact O-CA 3.32Å; E925-G929 WeakPolarHBondContact O-CA 3.48Å; E925-G929 PolarHBondContact O-N 2.77Å
926	A	34.3	Very low	39.1	Very low	59 Å²	59	87 Å²	87	49%	0.488	48%	0.476	S	S	.	.	H	α-helix	trans	-76.2	-37.4	171.1	0	0	0	0	0	112.8	S922 A930	S922-A926 WeakPolarHBondContact O-CB 3.28Å; S922-A926 PolarHBondContact O-N 3.47Å; A926-A930 WeakPolarHBondContact O-CB 3.36Å; A926-A930 PolarHBondContact O-N 3.1Å
927	Q	30.7	Very low	37.9	Very low	122 Å²	122	88.2 Å²	88.2	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-71.2	-37.8	173.1	-76.4	-179.1	-45.7	0	0	111.7	K923 K924 A931	K923-Q927 HydrophobicContact CG-CG 4.48Å; K923-Q927 VanDerWaalsContact O-CB 3.24Å; K923-Q927 WeakPolarHBondContact O-CB 3.33Å; K923-Q927 VanDerWaalsContact O-CG 3.3Å; K923-Q927 WeakPolarHBondContact O-CG 3.39Å; K923-Q927 PolarHBondContact O-N 2.86Å; K924-Q927 PolarHBondContact O-N 3.26Å; Q927-A931 WeakPolarHBondContact O-CB 3.31Å; Q927-A931 PolarHBondContact O-N 3.39Å
928	W	30	Very low	36.7	Very low	183 Å²	183	89.5 Å²	89.5	69%	0.693	49%	0.489	S	S	*	.	H	α-helix	trans	-75.5	-31.9	173.2	-69.8	1.4	0	0	0	112.1	K924 A931 L932	K924-W928 VanDerWaalsContact O-CB 3.25Å; K924-W928 WeakPolarHBondContact O-CB 3.45Å; K924-W928 VanDerWaalsContact O-CG 3.31Å; K924-W928 PolarHBondContact O-N 3.07Å; W928-A931 PolarHBondContact O-N 3.24Å; W928-L932 WeakPolarHBondContact O-CB 3.42Å; W928-L932 WeakPolarHBondContact O-CD1 3.26Å; W928-L932 PolarHBondContact O-N 3.11Å
929	G	29.1	Very low	35.2	Very low	34 Å²	34	89 Å²	89	35%	0.351	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-41.2	170.9	0	0	0	0	0	112.3	E925 Q933	E925-G929 VanDerWaalsContact O-CA 3.32Å; E925-G929 WeakPolarHBondContact O-CA 3.48Å; E925-G929 PolarHBondContact O-N 2.77Å; G929-Q933 WeakPolarHBondContact O-CB 3.31Å; G929-Q933 WeakPolarHBondContact O-CG 3.46Å; G929-Q933 PolarHBondContact O-N 2.81Å
930	A	30	Very low	33.7	Very low	55 Å²	55	91.1 Å²	91.1	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-37.2	171.1	0	0	0	0	0	112.2	A926 Q933 V934	A926-A930 WeakPolarHBondContact O-CB 3.36Å; A926-A930 PolarHBondContact O-N 3.1Å; A930-Q933 CarbonylContact O-C 3.56Å; A930-V934 WeakPolarHBondContact O-CB 3.29Å; A930-V934 VanDerWaalsContact O-CG2 3.29Å; A930-V934 WeakPolarHBondContact O-CG2 3.42Å; A930-V934 PolarHBondContact O-N 3.46Å
931	A	28.6	Very low	32.4	Very low	49 Å²	49	91.4 Å²	91.4	41%	0.405	51%	0.508	S	S	.	.	H	α-helix	trans	-72.5	-33.7	175.7	0	0	0	0	0	112.9	Q927 W928 V934 A935	Q927-A931 WeakPolarHBondContact O-CB 3.31Å; Q927-A931 PolarHBondContact O-N 3.39Å; W928-A931 PolarHBondContact O-N 3.24Å; A931-V934 CarbonylContact O-C 3.29Å; A931-V934 VanDerWaalsContact O-C 3.25Å; A931-V934 WeakPolarHBondContact O-CA 3.2Å; A931-V934 PolarHBondContact O-N 3.22Å; A931-V934 VanDerWaalsContact O-N 3.13Å; A931-A935 VanDerWaalsContact O-CB 3.31Å; A931-A935 WeakPolarHBondContact O-CB 3.35Å; A931-A935 PolarHBondContact O-N 3.31Å
932	L	28.7	Very low	31.4	Very low	112 Å²	112	90.6 Å²	90.6	59%	0.586	51%	0.505	S	S	*	.	H	α-helix	trans	-73.3	-37.1	173	-93.2	76.1	0	0	0	111.2	W928 V934 A935 T936	W928-L932 WeakPolarHBondContact O-CB 3.42Å; W928-L932 WeakPolarHBondContact O-CD1 3.26Å; W928-L932 PolarHBondContact O-N 3.11Å; L932-V934 PolarHBondContact O-N 3.38Å; L932-A935 CarbonylContact O-C 3.6Å; L932-A935 PolarHBondContact O-N 2.73Å; L932-T936 PolarHBondContact O-N 3.19Å; L932-T936 PolarHBondContact O-OG1 2.84Å
933	Q	29.4	Very low	30.7	Very low	111 Å²	111	92.9 Å²	92.9	52%	0.519	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	10.3	165.4	-69.5	-170.9	-0.2	0	0	114.1	G929 A930	G929-Q933 WeakPolarHBondContact O-CB 3.31Å; G929-Q933 WeakPolarHBondContact O-CG 3.46Å; G929-Q933 PolarHBondContact O-N 2.81Å; A930-Q933 CarbonylContact O-C 3.56Å
934	V	30.2	Very low	30	Very low	50 Å²	50	93.8 Å²	93.8	30%	0.303	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	4.2	167.7	172.1	0	0	0	0	110.6	T123 A930 A931 L932	T123-V934 VanDerWaalsContact CB-O 3.27Å; T123-V934 WeakPolarHBondContact CB-O 3.26Å; T123-V934 VanDerWaalsContact CG2-O 3.31Å; T123-V934 WeakPolarHBondContact CG2-O 3.32Å; A930-V934 WeakPolarHBondContact O-CB 3.29Å; A930-V934 VanDerWaalsContact O-CG2 3.29Å; A930-V934 WeakPolarHBondContact O-CG2 3.42Å; A930-V934 PolarHBondContact O-N 3.46Å; A931-V934 CarbonylContact O-C 3.29Å; A931-V934 VanDerWaalsContact O-C 3.25Å; A931-V934 WeakPolarHBondContact O-CA 3.2Å; A931-V934 PolarHBondContact O-N 3.22Å; A931-V934 VanDerWaalsContact O-N 3.13Å; L932-V934 PolarHBondContact O-N 3.38Å
935	A	25.3	Very low	29.6	Very low	63 Å²	63	91.1 Å²	91.1	52%	0.521	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-1.7	176.7	0	0	0	0	0	113.6	T123 A931 L932	T123-A935 VanDerWaalsContact CG2-C 3.48Å; A931-A935 VanDerWaalsContact O-CB 3.31Å; A931-A935 WeakPolarHBondContact O-CB 3.35Å; A931-A935 PolarHBondContact O-N 3.31Å; L932-A935 CarbonylContact O-C 3.6Å; L932-A935 PolarHBondContact O-N 2.73Å
936	T	27.1	Very low	29.4	Very low	129 Å²	129	87.9 Å²	87.9	79%	0.791	52%	0.516	S	S	*	.			trans	-138.8	0	165.3	59.5	0	0	0	0	108.7	G121 L932	G121-T936 CarbonylContact C-O 3.57Å; L932-T936 PolarHBondContact O-N 3.19Å; L932-T936 PolarHBondContact O-OG1 2.84Å

Retrieved 936 of 936 residues in 1439.5 ms (Link to these results)

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