A0A096MEL5_POEFO Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A096MEL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 831 aa.

						>A0A096MEL5_POEFO|A0A096MEL5
MSFLLFHCFLSKTFPLTDGGAANFGLNFLTFIILFNNLIPISLLVTLEVIKFIQAFFINWDTDMLYEATNTPAMARTSNLNEELGQVKYIFSDKTGTLTCNVMQFKKCTIAGVAYGHSTHSSEEAGFNDQSLLENLQNNHPTAAVILEFMTMMAICHTAVPERVDGKINYQAASPDEGALVRAARNLGFVFSGRTPDSVIVEVPGKEEKYELLHVLEFTSTRKRMSVIMRTPSGKIRLYCKGADTVIYDRLADSSRYKEITLKHLEQFATEGLRTLCFAVADISESSYQHWQELHLRASTAIQNRALKLEESYELIEKNLQLLGATAIEDKLQDKVPETIETLMKADIKIWILTGDKQETAINIGHSCKLLTKNMGMLVINEDSLNATRETLSHHCGLLGEAIYKENDFALIIDGKTLKYALTFGVRQYFLDLALSCKAVICCRVSPLQKSEVVEMVKKQVKVITLAIGDGANDVGMIQTAHVGVGISGNEGLQAANSSDYSIAQFKYLKNLLLVHGAWNYNRVAKCILYCFYKNIVLYIIEIWFAFVNGFSGQILFERWCIGLYNVLFTALPPLTLGIFERSCRKENMLKYPELYKTSQNAMGFNTKVFWAHCLNGLFHSVILFWFPLKAFQHDTVLGSGKTTDYLLLGNMVYTFVVITVCLKAGLETSSWTMFSHIAIWGSIGLWVVFFIIYASLWPIITLAPDMSGQARMMFSSGVFWMGLFFIPVTSLIFDVTYKVVKKACFKTLVDEVQELEALSKDPGAVVQGKSLTERAQLLKNVFKKSTVSLYRSESMQQNLLHGYAFSQDENGVVSQSEVIRAYDTTKQRSN
					

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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	34.1	Very low	39.1	Very low	202 Å²	202	112.8 Å²	112.8	100%	0.995	59%	0.589	S	S	*	*				0	-43.8	0	-144	159.2	99.3	0	0	112.5	F3 L4 L5	M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.95Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L5 PolarHBondContact O-N 3.33Å
2	S	34.6	Very low	39.4	Very low	99 Å²	99	118 Å²	118	69%	0.692	60%	0.603	S	S	*	*	H	α-helix	trans	-63.9	-26	-178.2	-44.3	0	0	0	0	115.8	F6	S2-F6 PolarHBondContact O-N 2.88Å
3	F	43.8	Very low	39.5	Very low	149 Å²	149	114.2 Å²	114.2	65%	0.654	59%	0.589	S	S	*	*	H	α-helix	trans	-83.8	-31.1	179.9	-100.8	-88.5	0	0	0	114.7	M1 L5 F6 H7	M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.95Å; F3-L5 VanDerWaalsContact C-N 3.27Å; F3-L5 PolarHBondContact O-N 2.76Å; F3-F6 WeakPolarHBondContact O-CA 3.15Å; F3-F6 WeakPolarHBondContact O-CB 3.35Å; F3-F6 PolarHBondContact O-N 3.15Å; F3-F6 VanDerWaalsContact O-N 3.08Å; F3-H7 PolarHBondContact O-N 3.14Å
4	L	40.8	Very low	39.7	Very low	126 Å²	126	115.9 Å²	115.9	66%	0.66	59%	0.59	S	S	*	*	H	α-helix	trans	-65.4	-35.7	171.1	-101.7	137	0	0	0	110.8	M1 F6 H7 C8	M1-L4 PolarHBondContact O-N 3.3Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-H7 PolarHBondContact O-N 3.11Å; L4-C8 WeakPolarHBondContact O-CB 3.24Å; L4-C8 PolarHBondContact O-N 3.19Å
5	L	37.3	Very low	39.7	Very low	117 Å²	117	115.3 Å²	115.3	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-63.7	-37.4	168.9	-85.4	153.9	0	0	0	111.8	M1 F3 C8 F9	M1-L5 PolarHBondContact O-N 3.33Å; F3-L5 VanDerWaalsContact C-N 3.27Å; F3-L5 PolarHBondContact O-N 2.76Å; L5-C8 PolarHBondContact O-N 3.34Å; L5-F9 VanDerWaalsContact O-CB 3.25Å; L5-F9 WeakPolarHBondContact O-CB 3.43Å; L5-F9 PolarHBondContact O-N 3.27Å
6	F	40.4	Very low	39.9	Very low	111 Å²	111	117.6 Å²	117.6	49%	0.487	61%	0.61	S	S	.	*	H	α-helix	trans	-69.5	-39	176.5	-157.2	-100.5	0	0	0	113.1	S2 F3 L4 C8 F9 L10	S2-F6 PolarHBondContact O-N 2.88Å; F3-F6 WeakPolarHBondContact O-CA 3.15Å; F3-F6 WeakPolarHBondContact O-CB 3.35Å; F3-F6 PolarHBondContact O-N 3.15Å; F3-F6 VanDerWaalsContact O-N 3.08Å; L4-F6 VanDerWaalsContact C-N 3.33Å; F6-C8 VanDerWaalsContact C-N 3.35Å; F6-F9 WeakPolarHBondContact O-CB 3.46Å; F6-F9 PolarHBondContact O-N 3.47Å; F6-L10 HydrophobicContact CD1-CD1 3.66Å; F6-L10 HydrophobicContact CD1-CG 4.41Å; F6-L10 HydrophobicContact CE1-CD1 3.54Å; F6-L10 HydrophobicContact CE1-CG 4.23Å; F6-L10 PolarHBondContact O-N 3.3Å
7	H	40.2	Very low	39.9	Very low	94 Å²	94	117.4 Å²	117.4	44%	0.435	62%	0.615	S	S	.	*	H	α-helix	trans	-64.4	-39.9	171.7	-172.4	-64.3	0	0	0	111.6	F3 L4 F9 S11	F3-H7 PolarHBondContact O-N 3.14Å; L4-H7 PolarHBondContact O-N 3.11Å; H7-F9 VanDerWaalsContact C-N 3.32Å; H7-S11 VanDerWaalsContact O-CB 3.24Å; H7-S11 WeakPolarHBondContact O-CB 3.43Å; H7-S11 PolarHBondContact O-N 3.11Å
8	C	38.3	Very low	40.1	Very low	67 Å²	67	120.9 Å²	120.9	45%	0.453	63%	0.634	S	S	.	*	H	α-helix	trans	-69.3	-32.1	174.9	-149.3	0	0	0	0	111.8	L4 L5 F6 K12	L4-C8 WeakPolarHBondContact O-CB 3.24Å; L4-C8 PolarHBondContact O-N 3.19Å; L5-C8 PolarHBondContact O-N 3.34Å; F6-C8 VanDerWaalsContact C-N 3.35Å; C8-K12 WeakPolarHBondContact O-CB 3.39Å; C8-K12 WeakPolarHBondContact O-CG 3.47Å; C8-K12 PolarHBondContact O-N 2.93Å
9	F	39.3	Very low	40.5	Very low	129 Å²	129	117 Å²	117	57%	0.566	63%	0.627	S	S	*	*	H	α-helix	trans	-69.2	-50.7	175.1	-168.8	-97.5	0	0	0	111.4	L5 F6 H7 S11 K12 T13	L5-F9 VanDerWaalsContact O-CB 3.25Å; L5-F9 WeakPolarHBondContact O-CB 3.43Å; L5-F9 PolarHBondContact O-N 3.27Å; F6-F9 WeakPolarHBondContact O-CB 3.46Å; F6-F9 PolarHBondContact O-N 3.47Å; H7-F9 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 3.39Å; F9-K12 PolarHBondContact O-N 2.85Å; F9-K12 VanDerWaalsContact O-N 3.1Å; F9-T13 HydrophobicContact CE1-CG2 4.12Å; F9-T13 HydrophobicContact CZ-CG2 4.17Å; F9-T13 PolarHBondContact O-N 2.91Å; F9-T13 PolarHBondContact O-OG1 3.01Å
10	L	39.1	Very low	41.2	Very low	60 Å²	60	111.8 Å²	111.8	31%	0.314	60%	0.602	S	S	.	*	H	α-helix	trans	-60.1	-42.5	175.9	-86.3	161.7	0	0	0	112.3	F6 K12 T13 F14	F6-L10 HydrophobicContact CD1-CD1 3.66Å; F6-L10 HydrophobicContact CD1-CG 4.41Å; F6-L10 HydrophobicContact CE1-CD1 3.54Å; F6-L10 HydrophobicContact CE1-CG 4.23Å; F6-L10 PolarHBondContact O-N 3.3Å; L10-K12 PolarHBondContact O-N 2.98Å; L10-T13 PolarHBondContact O-N 3.24Å; L10-F14 PolarHBondContact O-N 3.44Å
11	S	42.3	Very low	42.1	Very low	87 Å²	87	110.4 Å²	110.4	61%	0.608	61%	0.606	S	S	*	*	H	α-helix	trans	-64.6	-24.5	175.7	176.2	0	0	0	0	113.6	H7 F9	H7-S11 VanDerWaalsContact O-CB 3.24Å; H7-S11 WeakPolarHBondContact O-CB 3.43Å; H7-S11 PolarHBondContact O-N 3.11Å; F9-S11 PolarHBondContact O-N 3.39Å
12	K	43.1	Very low	43.6	Very low	175 Å²	175	105 Å²	105	76%	0.761	59%	0.594	S	S	*	*	H	α-helix	trans	-95.6	-23.2	178.2	-82.3	-176.2	173.9	-178.1	0	113.9	C8 F9 L10	C8-K12 WeakPolarHBondContact O-CB 3.39Å; C8-K12 WeakPolarHBondContact O-CG 3.47Å; C8-K12 PolarHBondContact O-N 2.93Å; F9-K12 PolarHBondContact O-N 2.85Å; F9-K12 VanDerWaalsContact O-N 3.1Å; L10-K12 PolarHBondContact O-N 2.98Å
13	T	40.4	Very low	45.9	Very low	69 Å²	69	104 Å²	104	42%	0.423	58%	0.58	S	S	.	*	H	α-helix	trans	-90.7	-23.2	-176.9	26	0	0	0	0	114.1	F9 L10	F9-T13 HydrophobicContact CE1-CG2 4.12Å; F9-T13 HydrophobicContact CZ-CG2 4.17Å; F9-T13 PolarHBondContact O-N 2.91Å; F9-T13 PolarHBondContact O-OG1 3.01Å; L10-T13 PolarHBondContact O-N 3.24Å
14	F	42	Very low	47.9	Very low	137 Å²	137	104.9 Å²	104.9	60%	0.601	58%	0.584	S	S	*	*			trans	-120.2	93.3	175.9	-75.6	-86.2	0	0	0	110.4	L10 L16	L10-F14 PolarHBondContact O-N 3.44Å; F14-L16 PolarHBondContact O-N 3.47Å
15	P	39.7	Very low	50.1	Low	108 Å²	108	100.5 Å²	100.5	70%	0.701	57%	0.569	S	S	*	*			trans	-60.6	123	164.8	24.7	-29.1	0	0	0	108	T17	P15-T17 VanDerWaalsContact C-N 3.31Å; P15-T17 PolarHBondContact O-N 3.11Å
16	L	43.8	Very low	52.4	Low	152 Å²	152	97.9 Å²	97.9	80%	0.796	56%	0.556	S	S	*	*			trans	-60.9	90.9	174.7	-77.4	156.2	0	0	0	109	F14	F14-L16 PolarHBondContact O-N 3.47Å
17	T	39	Very low	54.5	Low	114 Å²	114	95.2 Å²	95.2	70%	0.699	55%	0.547	S	S	*	.			trans	-71.9	150.8	154.4	41.7	0	0	0	0	108.4	P15 G19 G20	P15-T17 VanDerWaalsContact C-N 3.31Å; P15-T17 PolarHBondContact O-N 3.11Å; T17-G19 PolarHBondContact O-N 3.34Å; T17-G20 PolarHBondContact O-N 2.86Å
18	D	43.8	Very low	56.7	Low	180 Å²	180	96.4 Å²	96.4	96%	0.963	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	2.1	-169.6	-75	-45.5	0	0	0	117.6
19	G	48.2	Very low	59.1	Low	47 Å²	47	97.6 Å²	97.6	49%	0.485	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.4	-3.5	173	0	0	0	0	0	116	T17 A21 A22 N23	T17-G19 PolarHBondContact O-N 3.34Å; G19-A21 PolarHBondContact O-N 3.2Å; G19-A22 PolarHBondContact O-N 3.24Å; G19-N23 PolarHBondContact O-N 3.48Å
20	G	53.2	Low	61.4	Low	13 Å²	13	94.4 Å²	94.4	13%	0.134	54%	0.543	C	S	.	.	G	3₁₀ helix	trans	-64	-39.1	-174.9	0	0	0	0	0	114.7	T17 A22 N23	T17-G20 PolarHBondContact O-N 2.86Å; G20-A22 VanDerWaalsContact C-N 3.32Å; G20-A22 PolarHBondContact O-N 2.91Å; G20-N23 PolarHBondContact O-N 3.18Å
21	A	60	Low	63.7	Low	82 Å²	82	93.4 Å²	93.4	68%	0.678	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-74	-20.1	178.8	0	0	0	0	0	113.6	G19 N27	G19-A21 PolarHBondContact O-N 3.2Å; A21-N27 PolarHBondContact O-ND2 3.11Å
22	A	66.4	Low	66	Low	90 Å²	90	93.4 Å²	93.4	74%	0.744	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-86.6	-8.5	176.3	0	0	0	0	0	112.8	G19 G20 F24	G19-A22 PolarHBondContact O-N 3.24Å; G20-A22 VanDerWaalsContact C-N 3.32Å; G20-A22 PolarHBondContact O-N 2.91Å; A22-F24 PolarHBondContact O-N 2.94Å
23	N	83.9	Confident	68.1	Low	77 Å²	77	88.4 Å²	88.4	41%	0.412	51%	0.51	S	S	.	.			trans	-85.1	107	-176.5	-171.3	-26.1	0	0	0	111	G19 G20 G25 L26 N27	G19-N23 PolarHBondContact O-N 3.48Å; G20-N23 PolarHBondContact O-N 3.18Å; N23-G25 VanDerWaalsContact C-N 3.25Å; N23-G25 PolarHBondContact O-N 3.46Å; N23-G25 PolarHBondContact OD1-N 3.08Å; N23-L26 HydrophobicContact CB-CB 4.17Å; N23-L26 HydrophobicContact CB-CD1 4.03Å; N23-L26 HydrophobicContact CB-CG 4.15Å; N23-L26 PolarHBondContact O-N 3.5Å; N23-L26 PolarHBondContact OD1-N 2.92Å; N23-N27 PolarHBondContact O-N 3.43Å
24	F	85.3	Confident	70.3	Confident	167 Å²	167	86.1 Å²	86.1	73%	0.732	50%	0.495	S	S	*	.	H	α-helix	trans	-52.8	-40.7	177.9	179.3	-96.1	0	0	0	113.1	A22 N27 F28	A22-F24 PolarHBondContact O-N 2.94Å; F24-N27 PolarHBondContact O-N 2.86Å; F24-F28 VanDerWaalsContact O-CB 3.26Å; F24-F28 WeakPolarHBondContact O-CB 3.4Å; F24-F28 PolarHBondContact O-N 3.43Å
25	G	86.4	Confident	72.5	Confident	34 Å²	34	81.9 Å²	81.9	35%	0.351	48%	0.476	S	S	.	.	H	α-helix	trans	-66.3	-41.2	-179.1	0	0	0	0	0	112.9	N23 L29	N23-G25 VanDerWaalsContact C-N 3.25Å; N23-G25 PolarHBondContact O-N 3.46Å; N23-G25 PolarHBondContact OD1-N 3.08Å; G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.05Å; G25-L29 VanDerWaalsContact O-N 3.08Å
26	L	85.5	Confident	74.7	Confident	62 Å²	62	80.2 Å²	80.2	33%	0.325	46%	0.461	S	S	.	.	H	α-helix	trans	-69.9	-41.4	176.4	-66.9	178.1	0	0	0	111.4	N23 F28 L29 T30	N23-L26 HydrophobicContact CB-CB 4.17Å; N23-L26 HydrophobicContact CB-CD1 4.03Å; N23-L26 HydrophobicContact CB-CG 4.15Å; N23-L26 PolarHBondContact O-N 3.5Å; N23-L26 PolarHBondContact OD1-N 2.92Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.14Å; L26-L29 PolarHBondContact O-N 3.41Å; L26-T30 PolarHBondContact O-N 3.25Å; L26-T30 PolarHBondContact O-OG1 3.3Å
27	N	83.7	Confident	76.8	Confident	56 Å²	56	74.6 Å²	74.6	30%	0.299	43%	0.432	S	S	.	.	H	α-helix	trans	-61.5	-43.3	175.2	-69.2	-16.9	0	0	0	111.3	A21 N23 F24 L29 T30 F31	A21-N27 PolarHBondContact O-ND2 3.11Å; N23-N27 PolarHBondContact O-N 3.43Å; F24-N27 PolarHBondContact O-N 2.86Å; N27-L29 PolarHBondContact O-N 2.87Å; N27-T30 WeakPolarHBondContact O-CB 3.39Å; N27-T30 PolarHBondContact O-N 2.76Å; N27-F31 WeakPolarHBondContact O-CD2 3.4Å; N27-F31 PolarHBondContact O-N 2.94Å
28	F	87.2	Confident	79.1	Confident	118 Å²	118	71.5 Å²	71.5	52%	0.518	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-44.5	175.9	-178.2	-106.7	0	0	0	112.2	F24 L26 F31 I32	F24-F28 VanDerWaalsContact O-CB 3.26Å; F24-F28 WeakPolarHBondContact O-CB 3.4Å; F24-F28 PolarHBondContact O-N 3.43Å; L26-F28 VanDerWaalsContact C-N 3.33Å; L26-F28 PolarHBondContact O-N 3.14Å; F28-F31 PolarHBondContact O-N 2.73Å; F28-I32 HydrophobicContact CD1-CD1 3.86Å; F28-I32 HydrophobicContact CE1-CD1 3.33Å; F28-I32 HydrophobicContact CE1-CG1 4.23Å; F28-I32 HydrophobicContact CZ-CD1 3.73Å; F28-I32 HydrophobicContact CZ-CG1 4.29Å; F28-I32 WeakPolarHBondContact O-CG1 3.33Å; F28-I32 PolarHBondContact O-N 3.01Å
29	L	89.8	Confident	81.2	Confident	93 Å²	93	68.8 Å²	68.8	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-40.8	175.5	-71.8	173.8	0	0	0	112.5	G25 L26 N27 F31 I32 I33	G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.05Å; G25-L29 VanDerWaalsContact O-N 3.08Å; L26-L29 PolarHBondContact O-N 3.41Å; N27-L29 PolarHBondContact O-N 2.87Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 2.86Å; L29-I32 PolarHBondContact O-N 3.14Å; L29-I33 WeakPolarHBondContact O-CG1 3.5Å; L29-I33 PolarHBondContact O-N 2.82Å
30	T	86.9	Confident	83	Confident	62 Å²	62	66.9 Å²	66.9	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-58.2	-44.6	174.7	-61.2	0	0	0	0	111.2	L26 N27 I33 L34	L26-T30 PolarHBondContact O-N 3.25Å; L26-T30 PolarHBondContact O-OG1 3.3Å; N27-T30 WeakPolarHBondContact O-CB 3.39Å; N27-T30 PolarHBondContact O-N 2.76Å; T30-I33 PolarHBondContact O-N 2.97Å; T30-L34 WeakPolarHBondContact O-CB 3.48Å; T30-L34 PolarHBondContact O-N 3.2Å
31	F	88	Confident	84.6	Confident	38 Å²	38	72 Å²	72	17%	0.167	40%	0.397	C	S	.	.	H	α-helix	trans	-69.3	-34	177.2	-81	-67.1	0	0	0	113.7	N27 F28 L29 I33 L34 F35 A546 F551	N27-F31 WeakPolarHBondContact O-CD2 3.4Å; N27-F31 PolarHBondContact O-N 2.94Å; F28-F31 PolarHBondContact O-N 2.73Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 2.86Å; F31-I33 VanDerWaalsContact C-N 3.3Å; F31-I33 PolarHBondContact O-N 2.98Å; F31-L34 HydrophobicContact CD1-CD2 3.96Å; F31-L34 HydrophobicContact CE1-CD2 4.07Å; F31-L34 PolarHBondContact O-N 3.02Å; F31-F35 HydrophobicContact CB-CD2 4.33Å; F31-F35 HydrophobicContact CB-CE2 4.09Å; F31-F35 HydrophobicContact CD1-CD2 4.35Å; F31-F35 AromaticContact CD1-CE2 3.42Å; F31-F35 HydrophobicContact CD1-CE2 3.42Å; F31-F35 VanDerWaalsContact CD1-CE2 3.42Å; F31-F35 AromaticContact CD1-CZ 3.59Å; F31-F35 HydrophobicContact CD1-CZ 3.59Å; F31-F35 HydrophobicContact CE1-CE2 4.25Å; F31-F35 HydrophobicContact CE1-CZ 4.05Å; F31-F35 HydrophobicContact CG-CE2 4.16Å; F31-F35 WeakPolarHBondContact O-CD2 3.47Å; F31-F35 WeakPolarHBondContact O-CG 3.34Å; F31-F35 PolarHBondContact O-N 3Å; F31-A546 HydrophobicContact CE1-CB 4.28Å; F31-F551 HydrophobicContact CE1-CD1 4.36Å; F31-F551 HydrophobicContact CE2-CB 4.3Å; F31-F551 WeakPolarHBondContact CE2-O 3.16Å; F31-F551 HydrophobicContact CZ-CB 3.85Å; F31-F551 AromaticContact CZ-CD1 3.9Å; F31-F551 HydrophobicContact CZ-CD1 3.9Å; F31-F551 HydrophobicContact CZ-CG 4.39Å; F31-F551 WeakPolarHBondContact CZ-O 3.37Å
32	I	89.8	Confident	86	Confident	87 Å²	87	68.7 Å²	68.7	45%	0.446	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-44.9	170.6	-74.8	177.5	0	0	0	110.4	F28 L29 F35 N36	F28-I32 HydrophobicContact CD1-CD1 3.86Å; F28-I32 HydrophobicContact CE1-CD1 3.33Å; F28-I32 HydrophobicContact CE1-CG1 4.23Å; F28-I32 HydrophobicContact CZ-CD1 3.73Å; F28-I32 HydrophobicContact CZ-CG1 4.29Å; F28-I32 WeakPolarHBondContact O-CG1 3.33Å; F28-I32 PolarHBondContact O-N 3.01Å; L29-I32 PolarHBondContact O-N 3.14Å; I32-F35 PolarHBondContact O-N 2.77Å; I32-N36 WeakPolarHBondContact O-CB 3.23Å; I32-N36 PolarHBondContact O-N 2.91Å
33	I	87.6	Confident	87.2	Confident	71 Å²	71	65.5 Å²	65.5	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-42.2	179.5	-65.2	169.1	0	0	0	110.6	L29 T30 F31 F35	L29-I33 WeakPolarHBondContact O-CG1 3.5Å; L29-I33 PolarHBondContact O-N 2.82Å; T30-I33 PolarHBondContact O-N 2.97Å; F31-I33 VanDerWaalsContact C-N 3.3Å; F31-I33 PolarHBondContact O-N 2.98Å; I33-F35 PolarHBondContact O-N 2.89Å
34	L	86.2	Confident	87.6	Confident	20 Å²	20	67.9 Å²	67.9	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-42.9	178.8	-174.3	61.5	0	0	0	112.2	T30 F31 E542 I555	T30-L34 WeakPolarHBondContact O-CB 3.48Å; T30-L34 PolarHBondContact O-N 3.2Å; F31-L34 HydrophobicContact CD1-CD2 3.96Å; F31-L34 HydrophobicContact CE1-CD2 4.07Å; F31-L34 PolarHBondContact O-N 3.02Å; L34-E542 HydrophobicContact CD1-CB 4.25Å; L34-E542 HydrophobicContact CD1-CG 4.25Å; L34-E542 HydrophobicContact CD2-CB 4.34Å; L34-E542 HydrophobicContact CG-CB 4.26Å; L34-I555 HydrophobicContact CD1-CG2 3.5Å; L34-I555 VanDerWaalsContact CD1-CG2 3.5Å
35	F	87.8	Confident	88	Confident	48 Å²	48	63.7 Å²	63.7	21%	0.211	34%	0.339	C	S	.	.	H	α-helix	trans	-96.9	1.6	-174.9	-55.8	-39.9	0	0	0	115	F31 I32 I33 N37 L38 E542 I543	F31-F35 HydrophobicContact CB-CD2 4.33Å; F31-F35 HydrophobicContact CB-CE2 4.09Å; F31-F35 HydrophobicContact CD1-CD2 4.35Å; F31-F35 AromaticContact CD1-CE2 3.42Å; F31-F35 HydrophobicContact CD1-CE2 3.42Å; F31-F35 VanDerWaalsContact CD1-CE2 3.42Å; F31-F35 AromaticContact CD1-CZ 3.59Å; F31-F35 HydrophobicContact CD1-CZ 3.59Å; F31-F35 HydrophobicContact CE1-CE2 4.25Å; F31-F35 HydrophobicContact CE1-CZ 4.05Å; F31-F35 HydrophobicContact CG-CE2 4.16Å; F31-F35 WeakPolarHBondContact O-CD2 3.47Å; F31-F35 WeakPolarHBondContact O-CG 3.34Å; F31-F35 PolarHBondContact O-N 3Å; I32-F35 PolarHBondContact O-N 2.77Å; I33-F35 PolarHBondContact O-N 2.89Å; F35-N37 PolarHBondContact O-N 3.24Å; F35-N37 VanDerWaalsContact O-N 3.15Å; F35-L38 HydrophobicContact CB-CD1 3.99Å; F35-L38 HydrophobicContact CB-CG 4.48Å; F35-L38 WeakPolarHBondContact O-CB 3.48Å; F35-L38 WeakPolarHBondContact O-CG 3.48Å; F35-L38 PolarHBondContact O-N 3.44Å; F35-E542 HydrophobicContact CE1-CB 4.11Å; F35-I543 HydrophobicContact CD1-CD1 4.44Å; F35-I543 HydrophobicContact CD1-CG1 3.93Å; F35-I543 HydrophobicContact CE1-CB 4.36Å; F35-I543 HydrophobicContact CE1-CD1 4.19Å; F35-I543 HydrophobicContact CE1-CG1 3.26Å; F35-I543 HydrophobicContact CE2-CG1 4.02Å; F35-I543 HydrophobicContact CZ-CB 4.34Å; F35-I543 HydrophobicContact CZ-CD1 4.24Å; F35-I543 HydrophobicContact CZ-CG1 3.33Å
36	N	87.4	Confident	88.4	Confident	74 Å²	74	62.7 Å²	62.7	40%	0.396	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-53.7	-37.5	179.5	-174.3	6.6	0	0	0	112.4	I32 L38 I39	I32-N36 WeakPolarHBondContact O-CB 3.23Å; I32-N36 PolarHBondContact O-N 2.91Å; N36-L38 PolarHBondContact O-N 2.7Å; N36-L38 VanDerWaalsContact O-N 3.13Å; N36-I39 PolarHBondContact O-N 2.97Å
37	N	87	Confident	88.9	Confident	34 Å²	34	60.8 Å²	60.8	18%	0.182	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-73.6	-0.3	-178.1	-62.5	-50.4	0	0	0	114.6	F35 I39 I41 N535 Y539	F35-N37 PolarHBondContact O-N 3.24Å; F35-N37 VanDerWaalsContact O-N 3.15Å; N37-I39 PolarHBondContact O-N 3.36Å; N37-I41 WeakPolarHBondContact OD1-CD1 3.28Å; N37-N535 PolarHBondContact O-OD1 3.29Å; N37-Y539 HydrophobicContact CB-CD1 3.75Å; N37-Y539 HydrophobicContact CB-CD2 3.66Å; N37-Y539 HydrophobicContact CB-CE1 3.47Å; N37-Y539 VanDerWaalsContact CB-CE1 3.47Å; N37-Y539 HydrophobicContact CB-CE2 3.38Å; N37-Y539 HydrophobicContact CB-CG 3.86Å; N37-Y539 WeakPolarHBondContact O-CD2 3.33Å; N37-Y539 WeakPolarHBondContact O-CE2 3.21Å
38	L	88.2	Confident	89.4	Confident	48 Å²	48	63.9 Å²	63.9	25%	0.251	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.3	-32.2	168.5	-75.9	173.4	0	0	0	111.7	F35 N36 P40 I540	F35-L38 HydrophobicContact CB-CD1 3.99Å; F35-L38 HydrophobicContact CB-CG 4.48Å; F35-L38 WeakPolarHBondContact O-CB 3.48Å; F35-L38 WeakPolarHBondContact O-CG 3.48Å; F35-L38 PolarHBondContact O-N 3.44Å; N36-L38 PolarHBondContact O-N 2.7Å; N36-L38 VanDerWaalsContact O-N 3.13Å; L38-P40 WeakPolarHBondContact O-CD 3.23Å; L38-I540 HydrophobicContact CD1-CD1 4.25Å; L38-I540 HydrophobicContact CD2-CD1 3.65Å; L38-I540 HydrophobicContact CD2-CG1 3.86Å
39	I	87.9	Confident	89.9	Confident	124 Å²	124	61.1 Å²	61.1	64%	0.636	32%	0.322	S	S	*	.	S	Bend	trans	-85.4	117.3	168.3	-58.9	177.5	0	0	0	107.4	N36 N37 I41	N36-I39 PolarHBondContact O-N 2.97Å; N37-I39 PolarHBondContact O-N 3.36Å; I39-I41 PolarHBondContact O-N 2.66Å
40	P	85.9	Confident	90.2	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.039	30%	0.299	C	S	.	.			trans	-69.3	108.1	-174.6	-13.6	26	0	0	0	111.4	L38 S42 L43 F532 N535	L38-P40 WeakPolarHBondContact O-CD 3.23Å; P40-S42 PolarHBondContact O-N 3.45Å; P40-L43 HydrophobicContact CB-CB 4.06Å; P40-L43 WeakPolarHBondContact O-CB 3.4Å; P40-L43 PolarHBondContact O-N 3.31Å; P40-L43 VanDerWaalsContact O-N 3.09Å; P40-F532 HydrophobicContact CG-CD1 4.22Å; P40-F532 HydrophobicContact CG-CE1 4.34Å; P40-F532 HydrophobicContact CG-CG 4.44Å; P40-N535 HydrophobicContact CB-CB 4.46Å; P40-N535 WeakPolarHBondContact CB-ND2 3.25Å; P40-N535 HydrophobicContact CG-CB 3.98Å
41	I	85.2	Confident	90.7	Very high	120 Å²	120	54.9 Å²	54.9	62%	0.615	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.3	178.2	-59	172.3	0	0	0	111	N37 I39 L43	N37-I41 WeakPolarHBondContact OD1-CD1 3.28Å; I39-I41 PolarHBondContact O-N 2.66Å; I41-L43 VanDerWaalsContact C-N 3.33Å; I41-L43 PolarHBondContact O-N 2.62Å
42	S	90.1	Very high	91.1	Very high	14 Å²	14	58.7 Å²	58.7	10%	0.098	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.4	-179.5	64.6	0	0	0	0	114.7	P40 L44 V45 T46	P40-S42 PolarHBondContact O-N 3.45Å; S42-L44 PolarHBondContact O-N 3.27Å; S42-V45 VanDerWaalsContact O-CG1 3.24Å; S42-V45 WeakPolarHBondContact O-CG1 3.36Å; S42-T46 VanDerWaalsContact O-CB 3.26Å; S42-T46 WeakPolarHBondContact O-CB 3.37Å; S42-T46 PolarHBondContact O-N 3.28Å; S42-T46 PolarHBondContact O-OG1 3.33Å
43	L	91.1	Very high	91.5	Very high	22 Å²	22	57 Å²	57	12%	0.115	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-50.1	-175.9	176.3	66.4	0	0	0	112	P40 I41 T46 L47 I528 C531 F532	P40-L43 HydrophobicContact CB-CB 4.06Å; P40-L43 WeakPolarHBondContact O-CB 3.4Å; P40-L43 PolarHBondContact O-N 3.31Å; P40-L43 VanDerWaalsContact O-N 3.09Å; I41-L43 VanDerWaalsContact C-N 3.33Å; I41-L43 PolarHBondContact O-N 2.62Å; L43-T46 PolarHBondContact O-N 2.99Å; L43-L47 HydrophobicContact CD1-CD1 4.03Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 4.05Å; L43-L47 HydrophobicContact CG-CG 4.47Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 2.96Å; L43-I528 HydrophobicContact CD1-CG1 4.43Å; L43-C531 HydrophobicContact CD1-CB 3.73Å; L43-F532 HydrophobicContact CD2-CD2 4.47Å; L43-F532 HydrophobicContact CD2-CE2 3.63Å; L43-F532 HydrophobicContact CD2-CZ 4.1Å
44	L	92.6	Very high	91.9	Very high	127 Å²	127	53.6 Å²	53.6	67%	0.665	28%	0.276	S	S	*	.	H	α-helix	trans	-63.5	-49.4	-174.3	-64.4	178.1	0	0	0	111.4	S42 T46 L47 E48	S42-L44 PolarHBondContact O-N 3.27Å; L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 3.36Å; L44-L47 PolarHBondContact O-N 2.75Å; L44-L47 VanDerWaalsContact O-N 3.17Å; L44-E48 WeakPolarHBondContact O-CG 3.27Å; L44-E48 PolarHBondContact O-N 2.88Å
45	V	94.1	Very high	92.5	Very high	79 Å²	79	53 Å²	53	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-36.4	177.1	64.9	0	0	0	0	112.1	S42 E48 V49	S42-V45 VanDerWaalsContact O-CG1 3.24Å; S42-V45 WeakPolarHBondContact O-CG1 3.36Å; V45-E48 PolarHBondContact O-N 2.77Å; V45-V49 VanDerWaalsContact O-CG2 3.32Å; V45-V49 WeakPolarHBondContact O-CG2 3.47Å; V45-V49 PolarHBondContact O-N 3.49Å
46	T	94.7	Very high	92.9	Very high	13 Å²	13	54 Å²	54	8%	0.08	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-44.5	176.1	-57.6	0	0	0	0	110.5	S42 L43 L44 V49 I50 P574 L575	S42-T46 VanDerWaalsContact O-CB 3.26Å; S42-T46 WeakPolarHBondContact O-CB 3.37Å; S42-T46 PolarHBondContact O-N 3.28Å; S42-T46 PolarHBondContact O-OG1 3.33Å; L43-T46 PolarHBondContact O-N 2.99Å; L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 3.36Å; T46-V49 PolarHBondContact O-N 3.13Å; T46-I50 HydrophobicContact CG2-CD1 3.79Å; T46-I50 WeakPolarHBondContact O-CB 3.43Å; T46-I50 WeakPolarHBondContact O-CD1 3.38Å; T46-I50 WeakPolarHBondContact O-CG1 3.27Å; T46-I50 PolarHBondContact O-N 3.26Å; T46-P574 HydrophobicContact CG2-CB 4.21Å; T46-P574 HydrophobicContact CG2-CG 4.38Å; T46-L575 HydrophobicContact CG2-CD2 3.89Å; T46-L575 HydrophobicContact CG2-CG 4.36Å
47	L	95.4	Very high	93.4	Very high	22 Å²	22	53.2 Å²	53.2	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-42	177	-71.2	177.1	0	0	0	112.3	L43 L44 I50 K51 V524 I528	L43-L47 HydrophobicContact CD1-CD1 4.03Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 4.05Å; L43-L47 HydrophobicContact CG-CG 4.47Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 2.96Å; L44-L47 PolarHBondContact O-N 2.75Å; L44-L47 VanDerWaalsContact O-N 3.17Å; L47-I50 PolarHBondContact O-N 2.89Å; L47-K51 WeakPolarHBondContact O-CB 3.25Å; L47-K51 VanDerWaalsContact O-CG 3.27Å; L47-K51 WeakPolarHBondContact O-CG 3.32Å; L47-K51 PolarHBondContact O-N 3.45Å; L47-V524 HydrophobicContact CD2-CG1 4.15Å; L47-I528 HydrophobicContact CD1-CD1 4.33Å; L47-I528 HydrophobicContact CD1-CG1 4.09Å; L47-I528 HydrophobicContact CD2-CG1 3.96Å
48	E	95.4	Very high	93.9	Very high	121 Å²	121	51.6 Å²	51.6	57%	0.565	26%	0.263	S	S	*	.	H	α-helix	trans	-59.8	-47.2	176.4	-75.1	177.2	173.8	0	0	111.6	L44 V45 I50 K51 F52	L44-E48 WeakPolarHBondContact O-CG 3.27Å; L44-E48 PolarHBondContact O-N 2.88Å; V45-E48 PolarHBondContact O-N 2.77Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 3.44Å; E48-K51 PolarHBondContact O-N 2.87Å; E48-F52 WeakPolarHBondContact O-CB 3.49Å; E48-F52 PolarHBondContact O-N 3.12Å
49	V	96.4	Very high	94.3	Very high	60 Å²	60	51.2 Å²	51.2	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-44.6	176.7	171.8	0	0	0	0	111.1	V45 T46 F52 I53 L575	V45-V49 VanDerWaalsContact O-CG2 3.32Å; V45-V49 WeakPolarHBondContact O-CG2 3.47Å; V45-V49 PolarHBondContact O-N 3.49Å; T46-V49 PolarHBondContact O-N 3.13Å; V49-F52 PolarHBondContact O-N 3.49Å; V49-I53 HydrophobicContact CG1-CD1 3.9Å; V49-I53 WeakPolarHBondContact O-CG1 3.26Å; V49-I53 PolarHBondContact O-N 3.04Å; V49-L575 HydrophobicContact CB-CD2 4.28Å; V49-L575 HydrophobicContact CG1-CD2 3.91Å
50	I	97	Very high	94.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-52.7	177.6	-73.9	161.8	0	0	0	110.7	T46 L47 E48 F52 I53 Q54 C527 L575 G578 I579	T46-I50 HydrophobicContact CG2-CD1 3.79Å; T46-I50 WeakPolarHBondContact O-CB 3.43Å; T46-I50 WeakPolarHBondContact O-CD1 3.38Å; T46-I50 WeakPolarHBondContact O-CG1 3.27Å; T46-I50 PolarHBondContact O-N 3.26Å; L47-I50 PolarHBondContact O-N 2.89Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 3.44Å; I50-F52 VanDerWaalsContact C-N 3.29Å; I50-F52 PolarHBondContact O-N 3.28Å; I50-I53 PolarHBondContact O-N 3.08Å; I50-Q54 HydrophobicContact CG2-CG 4.24Å; I50-Q54 WeakPolarHBondContact O-CB 3.42Å; I50-Q54 VanDerWaalsContact O-CG 3.26Å; I50-Q54 WeakPolarHBondContact O-CG 3.47Å; I50-Q54 PolarHBondContact O-N 3.01Å; I50-C527 HydrophobicContact CD1-CB 4.05Å; I50-C527 WeakPolarHBondContact CD1-SG 3.23Å; I50-L575 HydrophobicContact CD1-CD2 4.45Å; I50-L575 HydrophobicContact CG1-CD2 4Å; I50-G578 WeakPolarHBondContact CG2-O 3.42Å; I50-I579 HydrophobicContact CG1-CG1 4.16Å
51	K	96.8	Very high	95.3	Very high	24 Å²	24	54.1 Å²	54.1	10%	0.104	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-37.5	-177.7	-73.1	-175.1	-176.9	-164.1	0	111.7	L47 E48 Q54 A55 S78 N79 N81 E82	L47-K51 WeakPolarHBondContact O-CB 3.25Å; L47-K51 VanDerWaalsContact O-CG 3.27Å; L47-K51 WeakPolarHBondContact O-CG 3.32Å; L47-K51 PolarHBondContact O-N 3.45Å; E48-K51 PolarHBondContact O-N 2.87Å; K51-Q54 PolarHBondContact O-N 3.43Å; K51-A55 PolarHBondContact O-N 3.29Å; K51-S78 WeakPolarHBondContact CB-O 3.42Å; K51-N79 PolarHBondContact NZ-O 2.86Å; K51-N81 PolarHBondContact O-ND2 3.33Å; K51-E82 WeakPolarHBondContact CE-OE1 3.01Å; K51-E82 WeakPolarHBondContact CE-OE2 3.31Å; K51-E82 IonicContact NZ-OE1 2.62Å; K51-E82 PolarHBondContact NZ-OE1 3.37Å; K51-E82 IonicContact NZ-OE2 3.03Å; K51-E82 PolarHBondContact NZ-OE2 3.09Å
52	F	96.9	Very high	95.8	Very high	119 Å²	119	53.6 Å²	53.6	52%	0.522	27%	0.267	S	S	.	.	H	α-helix	trans	-60.5	-48.9	173.8	-176.9	-112	0	0	0	111.6	E48 V49 I50 Q54 A55 F56	E48-F52 WeakPolarHBondContact O-CB 3.49Å; E48-F52 PolarHBondContact O-N 3.12Å; V49-F52 PolarHBondContact O-N 3.49Å; I50-F52 VanDerWaalsContact C-N 3.29Å; I50-F52 PolarHBondContact O-N 3.28Å; F52-Q54 PolarHBondContact O-N 3.18Å; F52-A55 WeakPolarHBondContact O-CB 3.16Å; F52-A55 PolarHBondContact O-N 3Å; F52-F56 HydrophobicContact CD1-CD2 4.29Å; F52-F56 AromaticContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD2-CE2 4.1Å; F52-F56 HydrophobicContact CE1-CD2 4.24Å; F52-F56 AromaticContact CE1-CE2 3.4Å; F52-F56 HydrophobicContact CE1-CE2 3.4Å; F52-F56 VanDerWaalsContact CE1-CE2 3.4Å; F52-F56 HydrophobicContact CE1-CZ 4.22Å; F52-F56 AromaticContact CE2-CE2 3.69Å; F52-F56 HydrophobicContact CE2-CE2 3.69Å; F52-F56 HydrophobicContact CE2-CZ 4.28Å; F52-F56 HydrophobicContact CG-CE2 4.19Å; F52-F56 HydrophobicContact CZ-CD2 4.48Å; F52-F56 AromaticContact CZ-CE2 3.34Å; F52-F56 HydrophobicContact CZ-CE2 3.34Å; F52-F56 AromaticContact CZ-CZ 3.85Å; F52-F56 HydrophobicContact CZ-CZ 3.85Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.43Å; F52-F56 PolarHBondContact O-N 3.2Å
53	I	97.4	Very high	96	Very high	51 Å²	51	56.5 Å²	56.5	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-39.2	178.5	-66.4	168.5	0	0	0	111.6	V49 I50 A55 F56 F57 I579	V49-I53 HydrophobicContact CG1-CD1 3.9Å; V49-I53 WeakPolarHBondContact O-CG1 3.26Å; V49-I53 PolarHBondContact O-N 3.04Å; I50-I53 PolarHBondContact O-N 3.08Å; I53-A55 VanDerWaalsContact C-N 3.26Å; I53-A55 PolarHBondContact O-N 2.94Å; I53-F56 WeakPolarHBondContact O-CB 3.39Å; I53-F56 PolarHBondContact O-N 3.26Å; I53-F56 VanDerWaalsContact O-N 3.1Å; I53-F57 HydrophobicContact CG2-CE1 4.28Å; I53-F57 HydrophobicContact CG2-CE2 4.05Å; I53-F57 HydrophobicContact CG2-CZ 3.87Å; I53-F57 PolarHBondContact O-N 3.09Å; I53-F57 VanDerWaalsContact O-N 3.08Å; I53-I579 HydrophobicContact CB-CD1 4.46Å; I53-I579 HydrophobicContact CB-CG1 4.41Å; I53-I579 HydrophobicContact CD1-CD1 3.54Å; I53-I579 HydrophobicContact CD1-CG1 4.37Å; I53-I579 HydrophobicContact CG2-CD1 4.39Å; I53-I579 HydrophobicContact CG2-CG1 4.29Å; I53-I579 HydrophobicContact CG2-CG2 3.71Å
54	Q	97.4	Very high	96.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-37.8	173.6	-73.1	172.1	-3.5	0	0	112	I50 K51 F52 F57 I58 N81 N520 G578	I50-Q54 HydrophobicContact CG2-CG 4.24Å; I50-Q54 WeakPolarHBondContact O-CB 3.42Å; I50-Q54 VanDerWaalsContact O-CG 3.26Å; I50-Q54 WeakPolarHBondContact O-CG 3.47Å; I50-Q54 PolarHBondContact O-N 3.01Å; K51-Q54 PolarHBondContact O-N 3.43Å; F52-Q54 PolarHBondContact O-N 3.18Å; Q54-F57 PolarHBondContact O-N 3.31Å; Q54-I58 PolarHBondContact O-N 3.2Å; Q54-I58 VanDerWaalsContact O-N 3.14Å; Q54-N81 WeakPolarHBondContact CB-ND2 3.45Å; Q54-N520 WeakPolarHBondContact CG-OD1 3.39Å; Q54-G578 PolarHBondContact NE2-O 3.34Å
55	A	97.4	Very high	96.3	Very high	7 Å²	7	51.8 Å²	51.8	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-38.7	174.4	0	0	0	0	0	111.9	K51 F52 I53 F57 I58 N59 A75 N81	K51-A55 PolarHBondContact O-N 3.29Å; F52-A55 WeakPolarHBondContact O-CB 3.16Å; F52-A55 PolarHBondContact O-N 3Å; I53-A55 VanDerWaalsContact C-N 3.26Å; I53-A55 PolarHBondContact O-N 2.94Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3.21Å; A55-I58 WeakPolarHBondContact O-CB 3.27Å; A55-I58 PolarHBondContact O-N 3.44Å; A55-N59 PolarHBondContact O-N 2.89Å; A55-N59 PolarHBondContact O-OD1 3.37Å; A55-N59 VanDerWaalsContact O-OD1 3.11Å; A55-A75 HydrophobicContact CB-CB 3.71Å; A55-N81 PolarHBondContact N-ND2 2.75Å
56	F	97.3	Very high	96.3	Very high	69 Å²	69	51.4 Å²	51.4	30%	0.303	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-37.7	171.6	-78.7	-79.6	0	0	0	113	F52 I53 I58 N59 W60	F52-F56 HydrophobicContact CD1-CD2 4.29Å; F52-F56 AromaticContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD1-CE2 3.83Å; F52-F56 HydrophobicContact CD2-CE2 4.1Å; F52-F56 HydrophobicContact CE1-CD2 4.24Å; F52-F56 AromaticContact CE1-CE2 3.4Å; F52-F56 HydrophobicContact CE1-CE2 3.4Å; F52-F56 VanDerWaalsContact CE1-CE2 3.4Å; F52-F56 HydrophobicContact CE1-CZ 4.22Å; F52-F56 AromaticContact CE2-CE2 3.69Å; F52-F56 HydrophobicContact CE2-CE2 3.69Å; F52-F56 HydrophobicContact CE2-CZ 4.28Å; F52-F56 HydrophobicContact CG-CE2 4.19Å; F52-F56 HydrophobicContact CZ-CD2 4.48Å; F52-F56 AromaticContact CZ-CE2 3.34Å; F52-F56 HydrophobicContact CZ-CE2 3.34Å; F52-F56 AromaticContact CZ-CZ 3.85Å; F52-F56 HydrophobicContact CZ-CZ 3.85Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.43Å; F52-F56 PolarHBondContact O-N 3.2Å; I53-F56 WeakPolarHBondContact O-CB 3.39Å; I53-F56 PolarHBondContact O-N 3.26Å; I53-F56 VanDerWaalsContact O-N 3.1Å; F56-I58 VanDerWaalsContact C-N 3.27Å; F56-I58 PolarHBondContact O-N 3.47Å; F56-N59 PolarHBondContact O-N 3.22Å; F56-N59 VanDerWaalsContact O-N 3.12Å; F56-W60 HydrophobicContact CB-CD2 4.23Å; F56-W60 HydrophobicContact CB-CE3 4.05Å; F56-W60 HydrophobicContact CB-CH2 3.97Å; F56-W60 HydrophobicContact CB-CZ2 4.15Å; F56-W60 HydrophobicContact CB-CZ3 3.92Å; F56-W60 AromaticContact CD1-CE2 3.91Å; F56-W60 HydrophobicContact CD1-CH2 4.12Å; F56-W60 AromaticContact CD1-CZ2 3.61Å; F56-W60 HydrophobicContact CD1-CZ2 3.61Å; F56-W60 HydrophobicContact CE1-CZ2 4.42Å; F56-W60 HydrophobicContact CG-CH2 4.2Å; F56-W60 HydrophobicContact CG-CZ2 4.15Å; F56-W60 WeakPolarHBondContact O-CB 3.31Å; F56-W60 VanDerWaalsContact O-CG 3.3Å; F56-W60 PolarHBondContact O-N 2.89Å
57	F	97.3	Very high	96.1	Very high	57 Å²	57	59 Å²	59	25%	0.25	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-31.9	175.3	-66.4	-23.9	0	0	0	113.2	I53 Q54 A55 W60 D61 H516 I579 F580	I53-F57 HydrophobicContact CG2-CE1 4.28Å; I53-F57 HydrophobicContact CG2-CE2 4.05Å; I53-F57 HydrophobicContact CG2-CZ 3.87Å; I53-F57 PolarHBondContact O-N 3.09Å; I53-F57 VanDerWaalsContact O-N 3.08Å; Q54-F57 PolarHBondContact O-N 3.31Å; A55-F57 VanDerWaalsContact C-N 3.33Å; A55-F57 PolarHBondContact O-N 3.21Å; F57-W60 HydrophobicContact CD1-CE3 4.16Å; F57-W60 HydrophobicContact CD1-CZ3 4.41Å; F57-W60 HydrophobicContact CE1-CZ3 4.45Å; F57-D61 PolarHBondContact O-N 3.09Å; F57-H516 PolarHBondContact O-CE1 3.41Å; F57-I579 HydrophobicContact CE2-CG2 3.52Å; F57-I579 HydrophobicContact CZ-CG2 3.73Å; F57-F580 HydrophobicContact CZ-CD1 4.49Å; F57-F580 AromaticContact CZ-CE1 3.97Å; F57-F580 HydrophobicContact CZ-CE1 3.97Å
58	I	97.6	Very high	95.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-45.9	170.4	-66.6	169	0	0	0	109.6	Q54 A55 F56 W60 D61 M64 A73 A75 L84 Y501 L512 H516	Q54-I58 PolarHBondContact O-N 3.2Å; Q54-I58 VanDerWaalsContact O-N 3.14Å; A55-I58 WeakPolarHBondContact O-CB 3.27Å; A55-I58 PolarHBondContact O-N 3.44Å; F56-I58 VanDerWaalsContact C-N 3.27Å; F56-I58 PolarHBondContact O-N 3.47Å; I58-W60 VanDerWaalsContact C-N 3.32Å; I58-W60 PolarHBondContact O-N 2.94Å; I58-D61 PolarHBondContact O-N 2.93Å; I58-M64 HydrophobicContact CG2-CE 3.97Å; I58-A73 HydrophobicContact CG2-CB 4.31Å; I58-A75 HydrophobicContact CB-CB 4.4Å; I58-A75 HydrophobicContact CD1-CB 4.39Å; I58-A75 HydrophobicContact CG2-CB 4.3Å; I58-L84 HydrophobicContact CD1-CD1 4.4Å; I58-Y501 HydrophobicContact CD1-CD1 4.39Å; I58-Y501 HydrophobicContact CD1-CE1 3.81Å; I58-L512 HydrophobicContact CD1-CD1 4.28Å; I58-L512 HydrophobicContact CG2-CD1 3.97Å; I58-H516 HydrophobicContact CD1-CB 4.39Å; I58-H516 HydrophobicContact CG1-CB 4.01Å
59	N	96.9	Very high	95.4	Very high	39 Å²	39	59.5 Å²	59.5	21%	0.209	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-31.3	-177.2	-60.3	-6.2	0	0	0	113.5	A55 F56 A73 M74 A75	A55-N59 PolarHBondContact O-N 2.89Å; A55-N59 PolarHBondContact O-OD1 3.37Å; A55-N59 VanDerWaalsContact O-OD1 3.11Å; F56-N59 PolarHBondContact O-N 3.22Å; F56-N59 VanDerWaalsContact O-N 3.12Å; N59-A73 WeakPolarHBondContact CA-O 3.37Å; N59-M74 VanDerWaalsContact OD1-CA 3.31Å; N59-M74 WeakPolarHBondContact OD1-CA 3.28Å; N59-A75 PolarHBondContact OD1-N 2.96Å
60	W	97.1	Very high	95.1	Very high	174 Å²	174	62.5 Å²	62.5	66%	0.659	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	0.5	-179.3	-64.5	-26.9	0	0	0	113.9	F56 F57 I58 T62	F56-W60 HydrophobicContact CB-CD2 4.23Å; F56-W60 HydrophobicContact CB-CE3 4.05Å; F56-W60 HydrophobicContact CB-CH2 3.97Å; F56-W60 HydrophobicContact CB-CZ2 4.15Å; F56-W60 HydrophobicContact CB-CZ3 3.92Å; F56-W60 AromaticContact CD1-CE2 3.91Å; F56-W60 HydrophobicContact CD1-CH2 4.12Å; F56-W60 AromaticContact CD1-CZ2 3.61Å; F56-W60 HydrophobicContact CD1-CZ2 3.61Å; F56-W60 HydrophobicContact CE1-CZ2 4.42Å; F56-W60 HydrophobicContact CG-CH2 4.2Å; F56-W60 HydrophobicContact CG-CZ2 4.15Å; F56-W60 WeakPolarHBondContact O-CB 3.31Å; F56-W60 VanDerWaalsContact O-CG 3.3Å; F56-W60 PolarHBondContact O-N 2.89Å; F57-W60 HydrophobicContact CD1-CE3 4.16Å; F57-W60 HydrophobicContact CD1-CZ3 4.41Å; F57-W60 HydrophobicContact CE1-CZ3 4.45Å; I58-W60 VanDerWaalsContact C-N 3.32Å; I58-W60 PolarHBondContact O-N 2.94Å; W60-T62 PolarHBondContact O-N 3.43Å; W60-T62 VanDerWaalsContact O-N 3.16Å
61	D	97	Very high	94.8	Very high	18 Å²	18	64.3 Å²	64.3	10%	0.096	33%	0.328	C	S	.	.			trans	-72.1	111.1	-179.8	-165.7	-3.3	0	0	0	111	F57 I58 D63 M64 H516 K586	F57-D61 PolarHBondContact O-N 3.09Å; I58-D61 PolarHBondContact O-N 2.93Å; D61-D63 PolarHBondContact O-N 3.24Å; D61-D63 PolarHBondContact OD1-N 3.06Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å; D61-M64 HydrophobicContact CB-CE 3.67Å; D61-M64 PolarHBondContact O-N 2.8Å; D61-M64 VanDerWaalsContact O-N 3.09Å; D61-H516 IonicContact OD2-CD2 2.72Å; D61-H516 IonicContact OD2-CE1 2.73Å; D61-H516 IonicContact OD2-NE2 3.66Å; D61-H516 PolarHBondContact OD2-NE2 3.44Å; D61-K586 IonicContact OD1-NZ 2.73Å; D61-K586 PolarHBondContact OD1-NZ 3.41Å; D61-K586 IonicContact OD2-NZ 3.69Å; D61-K586 PolarHBondContact OD2-NZ 2.91Å
62	T	95.4	Very high	94.7	Very high	109 Å²	109	66 Å²	66	67%	0.669	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-63.8	-26.6	178.5	53.8	0	0	0	0	112.4	W60 M64 L65	W60-T62 PolarHBondContact O-N 3.43Å; W60-T62 VanDerWaalsContact O-N 3.16Å; T62-M64 PolarHBondContact O-N 3Å; T62-L65 WeakPolarHBondContact O-CB 3.45Å; T62-L65 PolarHBondContact O-N 3.17Å
63	D	95.4	Very high	94.6	Very high	75 Å²	75	60.4 Å²	60.4	40%	0.401	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-74.3	-6.2	177.9	-67.5	-12.1	0	0	0	112.9	D61 Y508 N511 K586	D61-D63 PolarHBondContact O-N 3.24Å; D61-D63 PolarHBondContact OD1-N 3.06Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å; D63-Y508 VanDerWaalsContact O-CD1 3.31Å; D63-Y508 WeakPolarHBondContact O-CD1 3.47Å; D63-Y508 WeakPolarHBondContact O-CE1 3.19Å; D63-N511 PolarHBondContact O-ND2 3Å; D63-K586 VanDerWaalsContact CG-NZ 3.34Å; D63-K586 WeakPolarHBondContact OD2-CE 3.35Å; D63-K586 IonicContact OD2-NZ 2.74Å; D63-K586 PolarHBondContact OD2-NZ 3.2Å
64	M	95.7	Very high	94.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-118.6	18.9	173.9	-57.1	-169.7	-66.9	0	0	112.2	I58 D61 T62 A73 Y508 N511 L512 H516	I58-M64 HydrophobicContact CG2-CE 3.97Å; D61-M64 HydrophobicContact CB-CE 3.67Å; D61-M64 PolarHBondContact O-N 2.8Å; D61-M64 VanDerWaalsContact O-N 3.09Å; T62-M64 PolarHBondContact O-N 3Å; M64-A73 HydrophobicContact CB-CB 3.76Å; M64-A73 HydrophobicContact CE-CB 4Å; M64-A73 PolarHBondContact O-N 3.19Å; M64-A73 VanDerWaalsContact O-N 3.14Å; M64-A73 HydrophobicContact SD-CB 4.34Å; M64-Y508 HydrophobicContact CB-CD1 4.45Å; M64-Y508 HydrophobicContact CB-CD2 4.26Å; M64-Y508 HydrophobicContact CB-CG 4.11Å; M64-Y508 HydrophobicContact CG-CD1 4.39Å; M64-Y508 HydrophobicContact CG-CG 4.22Å; M64-N511 HydrophobicContact CG-CB 3.79Å; M64-N511 HydrophobicContact SD-CB 3.79Å; M64-L512 HydrophobicContact SD-CB 4.07Å; M64-H516 VanDerWaalsContact CE-CD2 3.47Å; M64-H516 WeakPolarHBondContact CE-CD2 3.47Å; M64-H516 WeakPolarHBondContact CE-NE2 3.45Å
65	L	94.6	Very high	94.5	Very high	50 Å²	50	62.8 Å²	62.8	26%	0.262	33%	0.33	S	S	.	.			trans	-89.1	126.1	169.5	179.2	63.3	0	0	0	109.5	T62 P72 Y508	T62-L65 WeakPolarHBondContact O-CB 3.45Å; T62-L65 PolarHBondContact O-N 3.17Å; L65-P72 HydrophobicContact CD1-CB 4.03Å; L65-Y508 PolarHBondContact O-OH 2.84Å
66	Y	93.5	Very high	94.4	Very high	70 Å²	70	67.4 Å²	67.4	28%	0.275	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-91.9	106	170.4	-172.8	-132	0	0	0	110	A68 T69 N70 T71 A504 Q505	Y66-A68 VanDerWaalsContact C-N 3.34Å; Y66-A68 HydrophobicContact CD1-CB 4.39Å; Y66-A68 HydrophobicContact CE1-CB 3.8Å; Y66-A68 HydrophobicContact CE2-CB 4.13Å; Y66-A68 PolarHBondContact O-N 2.86Å; Y66-T69 HydrophobicContact CD1-CG2 4.09Å; Y66-T69 VanDerWaalsContact CD1-OG1 3.24Å; Y66-T69 WeakPolarHBondContact CD1-OG1 3.32Å; Y66-T69 HydrophobicContact CE1-CG2 3.95Å; Y66-T69 PolarHBondContact O-N 2.87Å; Y66-N70 VanDerWaalsContact O-CA 3.25Å; Y66-N70 WeakPolarHBondContact O-CA 3.39Å; Y66-N70 PolarHBondContact O-N 2.88Å; Y66-T71 PolarHBondContact N-O 2.83Å; Y66-T71 PolarHBondContact O-N 3.41Å; Y66-A504 HydrophobicContact CD1-CB 4.08Å; Y66-A504 HydrophobicContact CG-CB 4.02Å; Y66-Q505 HydrophobicContact CD2-CG 3.77Å; Y66-Q505 HydrophobicContact CE2-CG 3.96Å; Y66-Q505 HydrophobicContact CG-CG 4.1Å
67	E	90.9	Very high	94.2	Very high	172 Å²	172	66.2 Å²	66.2	80%	0.804	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.7	-38.8	-172.4	-63.8	179.7	170.3	0	0	112.8	T69 N70	E67-T69 VanDerWaalsContact C-N 3.25Å; E67-T69 PolarHBondContact O-N 2.93Å; E67-N70 PolarHBondContact O-N 2.92Å
68	A	88.2	Confident	94.1	Very high	80 Å²	80	65 Å²	65	66%	0.661	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-60.7	-32.8	-175.4	0	0	0	0	0	113.5	Y66	Y66-A68 VanDerWaalsContact C-N 3.34Å; Y66-A68 HydrophobicContact CD1-CB 4.39Å; Y66-A68 HydrophobicContact CE1-CB 3.8Å; Y66-A68 HydrophobicContact CE2-CB 4.13Å; Y66-A68 PolarHBondContact O-N 2.86Å
69	T	86.9	Confident	93.8	Very high	75 Å²	75	69.3 Å²	69.3	46%	0.46	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-115.9	7.6	177.1	63.3	0	0	0	0	112.6	Y66 E67 T71	Y66-T69 HydrophobicContact CD1-CG2 4.09Å; Y66-T69 VanDerWaalsContact CD1-OG1 3.24Å; Y66-T69 WeakPolarHBondContact CD1-OG1 3.32Å; Y66-T69 HydrophobicContact CE1-CG2 3.95Å; Y66-T69 PolarHBondContact O-N 2.87Å; E67-T69 VanDerWaalsContact C-N 3.25Å; E67-T69 PolarHBondContact O-N 2.93Å; T69-T71 WeakPolarHBondContact CB-OG1 3.39Å; T69-T71 PolarHBondContact O-N 2.87Å; T69-T71 VanDerWaalsContact O-N 3.17Å; T69-T71 PolarHBondContact O-OG1 2.83Å; T69-T71 VanDerWaalsContact O-OG1 3.07Å; T69-T71 WeakPolarHBondContact OG1-CB 3.49Å; T69-T71 PolarHBondContact OG1-OG1 2.72Å
70	N	90	Very high	93.7	Very high	122 Å²	122	69.3 Å²	69.3	65%	0.652	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	42.4	-172.8	-166.8	33.9	0	0	0	113.3	Y66 E67 P72	Y66-N70 VanDerWaalsContact O-CA 3.25Å; Y66-N70 WeakPolarHBondContact O-CA 3.39Å; Y66-N70 PolarHBondContact O-N 2.88Å; E67-N70 PolarHBondContact O-N 2.92Å; N70-P72 WeakPolarHBondContact O-CD 3.4Å
71	T	91.1	Very high	93.6	Very high	38 Å²	38	61 Å²	61	23%	0.233	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-105.8	109.6	-173.8	-55.7	0	0	0	0	110.4	Y66 T69 A504	Y66-T71 PolarHBondContact N-O 2.83Å; Y66-T71 PolarHBondContact O-N 3.41Å; T69-T71 WeakPolarHBondContact CB-OG1 3.39Å; T69-T71 PolarHBondContact O-N 2.87Å; T69-T71 VanDerWaalsContact O-N 3.17Å; T69-T71 PolarHBondContact O-OG1 2.83Å; T69-T71 VanDerWaalsContact O-OG1 3.07Å; T69-T71 WeakPolarHBondContact OG1-CB 3.49Å; T69-T71 PolarHBondContact OG1-OG1 2.72Å; T71-A504 HydrophobicContact CG2-CB 4.1Å
72	P	94.2	Very high	93.5	Very high	59 Å²	59	61.7 Å²	61.7	38%	0.383	34%	0.337	S	S	.	.			trans	-77.6	163.8	176.2	32.1	-34.7	0	0	0	111.7	L65 N70	L65-P72 HydrophobicContact CD1-CB 4.03Å; N70-P72 WeakPolarHBondContact O-CD 3.4Å
73	A	95.8	Very high	93.4	Very high	2 Å²	2	58.8 Å²	58.8	2%	0.017	32%	0.316	C	S	.	.			trans	-62	146.3	161	0	0	0	0	0	110.1	I58 N59 M64 S502 I503	I58-A73 HydrophobicContact CG2-CB 4.31Å; N59-A73 WeakPolarHBondContact CA-O 3.37Å; M64-A73 HydrophobicContact CB-CB 3.76Å; M64-A73 HydrophobicContact CE-CB 4Å; M64-A73 PolarHBondContact O-N 3.19Å; M64-A73 VanDerWaalsContact O-N 3.14Å; M64-A73 HydrophobicContact SD-CB 4.34Å; A73-S502 CarbonylContact C-O 3.56Å; A73-S502 VanDerWaalsContact CA-O 3.31Å; A73-S502 WeakPolarHBondContact CA-O 3.48Å; A73-I503 HydrophobicContact CB-CG2 4.15Å
74	M	95.8	Very high	93.5	Very high	89 Å²	89	55.2 Å²	55.2	44%	0.438	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	119.1	178.5	-167.9	-177.8	-178.1	0	0	110.4	N59 R76 Y501 S502	N59-M74 VanDerWaalsContact OD1-CA 3.31Å; N59-M74 WeakPolarHBondContact OD1-CA 3.28Å; M74-R76 HydrophobicContact CG-CG 4.49Å; M74-Y501 CarbonylContact O-C 3.53Å; M74-Y501 WeakPolarHBondContact O-CA 3.05Å; M74-S502 WeakPolarHBondContact CB-OG 3.33Å; M74-S502 PolarHBondContact N-O 2.86Å; M74-S502 PolarHBondContact O-N 3.48Å
75	A	96.8	Very high	93.4	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114	167.5	0	0	0	0	0	109.3	A55 I58 N59 Y501	A55-A75 HydrophobicContact CB-CB 3.71Å; I58-A75 HydrophobicContact CB-CB 4.4Å; I58-A75 HydrophobicContact CD1-CB 4.39Å; I58-A75 HydrophobicContact CG2-CB 4.3Å; N59-A75 PolarHBondContact OD1-N 2.96Å; A75-Y501 HydrophobicContact CB-CD1 3.71Å; A75-Y501 HydrophobicContact CB-CE1 3.64Å
76	R	94.3	Very high	93.4	Very high	105 Å²	105	54.6 Å²	54.6	40%	0.396	29%	0.293	S	S	.	.	S	Bend	trans	-93.7	-35.4	177.2	-64.9	176.8	172.1	-106.3	8	111.4	M74 A496 N497 S499 D500	M74-R76 HydrophobicContact CG-CG 4.49Å; R76-A496 WeakPolarHBondContact CD-O 3.26Å; R76-A496 PolarHBondContact NE-O 3.32Å; R76-N497 PolarHBondContact NH2-OD1 3.47Å; R76-S499 VanDerWaalsContact CD-O 3.3Å; R76-S499 WeakPolarHBondContact CD-O 3.38Å; R76-D500 WeakPolarHBondContact CA-O 3.47Å; R76-D500 WeakPolarHBondContact CB-O 3.45Å; R76-D500 PolarHBondContact N-O 3.01Å
77	T	94.6	Very high	93.6	Very high	44 Å²	44	51.3 Å²	51.3	27%	0.27	28%	0.28	S	S	.	.			trans	-114.1	99.2	176.3	-50	0	0	0	0	110.2	N79 L80 D500 Y501	T77-N79 VanDerWaalsContact C-N 3.29Å; T77-N79 HydrophobicContact CG2-CB 4.33Å; T77-N79 PolarHBondContact O-N 3.5Å; T77-L80 HydrophobicContact CG2-CD1 3.87Å; T77-L80 HydrophobicContact CG2-CG 3.96Å; T77-D500 VanDerWaalsContact CB-OD1 3.24Å; T77-D500 WeakPolarHBondContact CB-OD1 3.08Å; T77-D500 PolarHBondContact N-O 3.29Å; T77-D500 VanDerWaalsContact N-O 3.1Å; T77-D500 PolarHBondContact OG1-OD1 3.45Å; T77-Y501 PolarHBondContact O-OH 2.84Å
78	S	93.6	Very high	93.7	Very high	30 Å²	30	44.6 Å²	44.6	21%	0.21	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-71.8	-21.6	179.8	56.2	0	0	0	0	113.8	K51 L80 N81	K51-S78 WeakPolarHBondContact CB-O 3.42Å; S78-L80 PolarHBondContact O-N 2.85Å; S78-L80 VanDerWaalsContact O-N 3.08Å; S78-N81 PolarHBondContact O-N 2.85Å; S78-N81 PolarHBondContact O-ND2 2.85Å
79	N	92.8	Very high	94.1	Very high	92 Å²	92	41.5 Å²	41.5	49%	0.492	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-63.9	-16.4	-175.4	-73	-21.1	0	0	0	114.2	K51 T77	K51-N79 PolarHBondContact NZ-O 2.86Å; T77-N79 VanDerWaalsContact C-N 3.29Å; T77-N79 HydrophobicContact CG2-CB 4.33Å; T77-N79 PolarHBondContact O-N 3.5Å
80	L	94.3	Very high	94.6	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.209	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-107.5	10.2	-172.8	-56.2	173.8	0	0	0	113.2	T77 S78 E82 E83 D500 Y501	T77-L80 HydrophobicContact CG2-CD1 3.87Å; T77-L80 HydrophobicContact CG2-CG 3.96Å; S78-L80 PolarHBondContact O-N 2.85Å; S78-L80 VanDerWaalsContact O-N 3.08Å; L80-E82 PolarHBondContact O-N 2.86Å; L80-E82 VanDerWaalsContact O-N 3.16Å; L80-E83 HydrophobicContact CB-CB 4.45Å; L80-E83 HydrophobicContact CB-CG 4.36Å; L80-E83 HydrophobicContact CD2-CG 4.15Å; L80-E83 WeakPolarHBondContact O-CB 3.49Å; L80-E83 PolarHBondContact O-N 3.16Å; L80-D500 HydrophobicContact CD1-CB 4.19Å; L80-D500 VanDerWaalsContact CD1-CG 3.48Å; L80-Y501 VanDerWaalsContact C-OH 3.28Å; L80-Y501 PolarHBondContact O-OH 2.97Å
81	N	95.1	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.7	-174.5	-76.4	-11.5	0	0	0	113.8	K51 Q54 A55 S78 Y501 N520	K51-N81 PolarHBondContact O-ND2 3.33Å; Q54-N81 WeakPolarHBondContact CB-ND2 3.45Å; A55-N81 PolarHBondContact N-ND2 2.75Å; S78-N81 PolarHBondContact O-N 2.85Å; S78-N81 PolarHBondContact O-ND2 2.85Å; N81-Y501 VanDerWaalsContact CA-OH 3.25Å; N81-Y501 WeakPolarHBondContact CA-OH 3.46Å; N81-Y501 PolarHBondContact N-OH 2.88Å; N81-Y501 PolarHBondContact OD1-OH 3.46Å; N81-N520 HydrophobicContact CB-CB 4.18Å; N81-N520 WeakPolarHBondContact O-CB 3.26Å
82	E	93.8	Very high	95.2	Very high	31 Å²	31	30.3 Å²	30.3	15%	0.145	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-28.1	175.8	68.2	-87.7	-147	0	0	113.7	K51 L80 L84 G85 V524	K51-E82 WeakPolarHBondContact CE-OE1 3.01Å; K51-E82 WeakPolarHBondContact CE-OE2 3.31Å; K51-E82 IonicContact NZ-OE1 2.62Å; K51-E82 PolarHBondContact NZ-OE1 3.37Å; K51-E82 IonicContact NZ-OE2 3.03Å; K51-E82 PolarHBondContact NZ-OE2 3.09Å; L80-E82 PolarHBondContact O-N 2.86Å; L80-E82 VanDerWaalsContact O-N 3.16Å; E82-L84 PolarHBondContact O-N 3.17Å; E82-G85 PolarHBondContact O-N 3.06Å; E82-V524 HydrophobicContact CB-CB 4.28Å; E82-V524 HydrophobicContact CB-CG1 4.49Å; E82-V524 HydrophobicContact CB-CG2 4.32Å
83	E	95	Very high	95.3	Very high	48 Å²	48	28 Å²	28	22%	0.224	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.9	-32.7	-179.4	-63	-68.9	170.7	0	0	110.5	L80 G85 Q86 V87 I464 V483	L80-E83 HydrophobicContact CB-CB 4.45Å; L80-E83 HydrophobicContact CB-CG 4.36Å; L80-E83 HydrophobicContact CD2-CG 4.15Å; L80-E83 WeakPolarHBondContact O-CB 3.49Å; L80-E83 PolarHBondContact O-N 3.16Å; E83-G85 PolarHBondContact O-N 2.84Å; E83-G85 VanDerWaalsContact O-N 3.09Å; E83-Q86 PolarHBondContact O-N 3.09Å; E83-V87 PolarHBondContact O-N 3.26Å; E83-I464 HydrophobicContact CB-CG2 4.22Å; E83-I464 WeakPolarHBondContact OE2-CD1 3.38Å; E83-I464 WeakPolarHBondContact OE2-CG1 3.24Å; E83-V483 HydrophobicContact CB-CG2 3.79Å
84	L	96.4	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-56.2	-22.9	170.6	-69.7	175.4	0	0	0	113.2	I58 E82 Q86 L466 V483 Y501 L512 L513 G517 Y596	I58-L84 HydrophobicContact CD1-CD1 4.4Å; E82-L84 PolarHBondContact O-N 3.17Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-L466 HydrophobicContact CD2-CD1 4.41Å; L84-V483 HydrophobicContact CD2-CG1 3.8Å; L84-Y501 HydrophobicContact CD1-CD1 4.41Å; L84-Y501 HydrophobicContact CD1-CD2 4.38Å; L84-Y501 HydrophobicContact CD1-CE1 3.84Å; L84-Y501 HydrophobicContact CD1-CE2 3.79Å; L84-Y501 HydrophobicContact CD2-CD2 4.12Å; L84-Y501 HydrophobicContact CD2-CE2 3.9Å; L84-Y501 HydrophobicContact CG-CE2 3.88Å; L84-L512 HydrophobicContact CD1-CD1 3.84Å; L84-L512 HydrophobicContact CD1-CG 4.1Å; L84-L512 HydrophobicContact CD2-CD2 4.33Å; L84-L512 HydrophobicContact CD2-CG 4.23Å; L84-L513 HydrophobicContact CB-CD2 4.2Å; L84-L513 HydrophobicContact CD2-CD2 3.7Å; L84-L513 WeakPolarHBondContact O-CD2 3.37Å; L84-G517 VanDerWaalsContact CB-CA 3.48Å; L84-Y596 PolarHBondContact O-OH 3.36Å
85	G	94.3	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-83.8	-6.5	176.2	0	0	0	0	0	114.5	E82 E83 G517 Y596 S599 Q600	E82-G85 PolarHBondContact O-N 3.06Å; E83-G85 PolarHBondContact O-N 2.84Å; E83-G85 VanDerWaalsContact O-N 3.09Å; G85-G517 VanDerWaalsContact CA-O 3.23Å; G85-G517 WeakPolarHBondContact CA-O 3.38Å; G85-G517 PolarHBondContact N-O 2.93Å; G85-Y596 VanDerWaalsContact C-OH 3.26Å; G85-S599 CarbonylContact O-C 3.45Å; G85-S599 WeakPolarHBondContact O-CB 3.34Å; G85-Q600 PolarHBondContact O-N 3.1Å
86	Q	94.7	Very high	94.3	Very high	38 Å²	38	24.8 Å²	24.8	18%	0.178	13%	0.126	C	C	.	.	S	Bend	trans	-124.4	5.2	-169.9	-57.8	-174.7	-87.8	0	0	113.8	E83 L84 K88 I464 Y521 Y596	E83-Q86 PolarHBondContact O-N 3.09Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; Q86-K88 PolarHBondContact O-N 3.04Å; Q86-I464 HydrophobicContact CB-CB 4.38Å; Q86-I464 HydrophobicContact CB-CG1 3.87Å; Q86-Y521 HydrophobicContact CG-CD2 3.61Å; Q86-Y521 HydrophobicContact CG-CE2 3.82Å; Q86-Y521 HydrophobicContact CG-CG 4.34Å; Q86-Y596 PolarHBondContact N-OH 2.99Å
87	V	96.3	Very high	94.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	128.2	-178.3	179.1	0	0	0	0	110.7	E83 I90 I348 I464 L466 L513 Y596 Q600	E83-V87 PolarHBondContact O-N 3.26Å; V87-I90 HydrophobicContact CG1-CG1 4.02Å; V87-I348 HydrophobicContact CG1-CG2 4.46Å; V87-I464 HydrophobicContact CG2-CG2 4.15Å; V87-L466 HydrophobicContact CG1-CB 3.64Å; V87-L466 HydrophobicContact CG1-CD1 4.43Å; V87-L466 HydrophobicContact CG2-CB 4.2Å; V87-L466 HydrophobicContact CG2-CD1 4.11Å; V87-L513 HydrophobicContact CB-CD2 4.4Å; V87-L513 HydrophobicContact CG2-CD2 3.88Å; V87-Y596 PolarHBondContact N-OH 3.39Å; V87-Y596 VanDerWaalsContact N-OH 3.16Å; V87-Q600 PolarHBondContact O-NE2 3.22Å
88	K	93.9	Very high	94.1	Very high	32 Å²	32	17.7 Å²	17.7	14%	0.139	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-28.7	175.6	-79.6	-63.6	-161.4	-174	0	113.6	Q86 D347 K349 V463 I464 Q600	Q86-K88 PolarHBondContact O-N 3.04Å; K88-D347 IonicContact NZ-OD2 3.22Å; K88-D347 PolarHBondContact NZ-OD2 3.31Å; K88-K349 PolarHBondContact O-N 3.5Å; K88-V463 HydrophobicContact CB-CB 4.09Å; K88-V463 HydrophobicContact CB-CG2 4.04Å; K88-V463 HydrophobicContact CG-CB 4.28Å; K88-V463 HydrophobicContact CG-CG1 4.44Å; K88-I464 PolarHBondContact N-O 3.17Å; K88-Q600 HydrophobicContact CD-CB 4.39Å; K88-Q600 HydrophobicContact CD-CG 4.35Å
89	Y	95.9	Very high	94	Very high	14 Å²	14	16.3 Å²	16.3	6%	0.055	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.8	179.3	-73.4	-99.8	0	0	0	110.2	K349 W351 L435 V457 V461 V463 I464 L466	Y89-K349 CarbonylContact C-O 3.17Å; Y89-K349 WeakPolarHBondContact CA-O 3.18Å; Y89-K349 HydrophobicContact CD1-CB 3.87Å; Y89-K349 HydrophobicContact CE1-CB 3.86Å; Y89-K349 HydrophobicContact CE1-CD 3.7Å; Y89-K349 HydrophobicContact CE1-CG 4.38Å; Y89-K349 HydrophobicContact CG-CB 4.46Å; Y89-K349 WeakPolarHBondContact OH-CD 3.5Å; Y89-W351 AromaticContact CD1-NE1 3.95Å; Y89-W351 HydrophobicContact CE1-CZ2 4.11Å; Y89-W351 AromaticContact CE1-NE1 3.88Å; Y89-L435 HydrophobicContact CE1-CD2 3.98Å; Y89-L435 WeakPolarHBondContact OH-CD2 3.42Å; Y89-V457 HydrophobicContact CD1-CG1 4.2Å; Y89-V457 HydrophobicContact CD2-CG1 4.41Å; Y89-V457 HydrophobicContact CE1-CG1 4.39Å; Y89-V457 HydrophobicContact CG-CG1 4.22Å; Y89-V461 HydrophobicContact CE2-CG1 4.19Å; Y89-V463 HydrophobicContact CD2-CG2 3.6Å; Y89-V463 HydrophobicContact CE2-CG2 3.78Å; Y89-I464 PolarHBondContact N-O 3.27Å; Y89-L466 PolarHBondContact O-N 3.23Å
90	I	97.9	Very high	93.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123	170.1	-66.2	169	0	0	0	108.1	V87 L343 I348 K349 I350 W351 L466 I468 L509 L513	V87-I90 HydrophobicContact CG1-CG1 4.02Å; I90-L343 HydrophobicContact CD1-CD1 3.89Å; I90-I348 HydrophobicContact CB-CG2 4.42Å; I90-I348 HydrophobicContact CD1-CG2 3.53Å; I90-I348 HydrophobicContact CG1-CG2 3.65Å; I90-K349 PolarHBondContact N-O 3.09Å; I90-I350 HydrophobicContact CB-CG1 4.2Å; I90-I350 HydrophobicContact CD1-CG1 4.5Å; I90-I350 CarbonylContact O-C 3.44Å; I90-I350 WeakPolarHBondContact O-CA 3.44Å; I90-W351 PolarHBondContact O-N 3.07Å; I90-L466 CarbonylContact C-O 3.55Å; I90-L466 VanDerWaalsContact CA-O 3.31Å; I90-L466 WeakPolarHBondContact CA-O 3.46Å; I90-L466 HydrophobicContact CG1-CB 4.22Å; I90-L466 HydrophobicContact CG1-CD2 4.16Å; I90-L466 HydrophobicContact CG2-CD2 4.08Å; I90-I468 HydrophobicContact CG2-CG2 4.06Å; I90-L509 HydrophobicContact CD1-CD2 3.89Å; I90-L509 HydrophobicContact CG2-CD2 4.46Å; I90-L513 HydrophobicContact CD1-CD1 3.97Å
91	F	97.9	Very high	93.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.4	169.3	-57	-82.3	0	0	0	108.1	W351 L353 V453 V454 V457 T465 L466 A467 I468 M477	F91-W351 WeakPolarHBondContact CA-O 3.27Å; F91-W351 HydrophobicContact CD1-CB 3.8Å; F91-W351 HydrophobicContact CD1-CD2 4.42Å; F91-W351 HydrophobicContact CD1-CE3 4.23Å; F91-W351 HydrophobicContact CD1-CG 4.31Å; F91-W351 HydrophobicContact CE1-CB 4.13Å; F91-W351 AromaticContact CE1-CD2 3.86Å; F91-W351 HydrophobicContact CE1-CD2 3.86Å; F91-W351 AromaticContact CE1-CE3 3.58Å; F91-W351 HydrophobicContact CE1-CE3 3.58Å; F91-W351 HydrophobicContact CE1-CG 4.14Å; F91-W351 HydrophobicContact CE1-CZ3 4.23Å; F91-L353 HydrophobicContact CB-CD1 4.14Å; F91-L353 HydrophobicContact CD1-CD1 3.96Å; F91-L353 HydrophobicContact CD1-CG 4.44Å; F91-L353 HydrophobicContact CG-CD1 4.41Å; F91-V453 HydrophobicContact CE1-CG1 4.22Å; F91-V454 HydrophobicContact CB-CG2 4.02Å; F91-V454 HydrophobicContact CD1-CG2 4.09Å; F91-V454 HydrophobicContact CD2-CB 4.38Å; F91-V454 HydrophobicContact CD2-CG1 4.16Å; F91-V454 HydrophobicContact CD2-CG2 3.66Å; F91-V454 HydrophobicContact CE1-CG2 4.5Å; F91-V454 HydrophobicContact CE2-CB 4.41Å; F91-V454 HydrophobicContact CE2-CG1 4.14Å; F91-V454 HydrophobicContact CE2-CG2 4.11Å; F91-V454 HydrophobicContact CG-CG2 3.64Å; F91-V457 HydrophobicContact CE1-CG2 4.19Å; F91-V457 HydrophobicContact CZ-CB 3.75Å; F91-V457 HydrophobicContact CZ-CG1 3.91Å; F91-V457 HydrophobicContact CZ-CG2 3.86Å; F91-T465 HydrophobicContact CE2-CG2 3.87Å; F91-L466 WeakPolarHBondContact CD2-O 3.18Å; F91-L466 PolarHBondContact N-O 2.87Å; F91-A467 HydrophobicContact CB-CB 4.49Å; F91-A467 CarbonylContact O-C 3.54Å; F91-A467 WeakPolarHBondContact O-CA 3.33Å; F91-I468 PolarHBondContact O-N 3.01Å; F91-M477 HydrophobicContact CB-SD 4Å
92	S	96.9	Very high	92.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.1	-175.5	-169.6	0	0	0	0	110.5	T97 W351 I352 L353	S92-T97 WeakPolarHBondContact OG-CG2 3.26Å; S92-W351 PolarHBondContact N-O 3.13Å; S92-I352 WeakPolarHBondContact O-CA 3.44Å; S92-L353 PolarHBondContact O-N 3.07Å
93	D	94.7	Very high	92.3	Very high	10 Å²	10	18.5 Å²	18.5	5%	0.053	10%	0.103	C	C	.	.			trans	-70.5	163.4	157	-167.4	54.4	0	0	0	110.8	T95 T97 L98 L353 K450 I468	D93-T95 PolarHBondContact OD2-N 3.12Å; D93-T97 WeakPolarHBondContact O-CB 3.35Å; D93-T97 WeakPolarHBondContact O-CG2 3.35Å; D93-L98 WeakPolarHBondContact O-CG 3.29Å; D93-L353 VanDerWaalsContact OD1-O 3.08Å; D93-K450 IonicContact OD1-NZ 3.16Å; D93-K450 PolarHBondContact OD1-NZ 3.02Å; D93-I468 PolarHBondContact N-O 3.36Å
94	K	92.4	Very high	92	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	10%	0.1	C	C	.	.	S	Bend	trans	-99.4	-50.6	179.2	-178.9	-125.7	62.3	94.2	0	112.2	L98 T99 D330 I352 D356 T360 I364	K94-L98 PolarHBondContact O-N 2.95Å; K94-L98 VanDerWaalsContact O-N 3.09Å; K94-T99 HydrophobicContact CG-CG2 4.27Å; K94-T99 PolarHBondContact NZ-OG1 2.83Å; K94-T99 PolarHBondContact O-N 2.95Å; K94-D330 IonicContact NZ-OD2 2.68Å; K94-I352 HydrophobicContact CB-CG2 4.12Å; K94-D356 WeakPolarHBondContact CE-OD2 3.4Å; K94-D356 IonicContact NZ-OD2 3.23Å; K94-D356 PolarHBondContact NZ-OD2 2.98Å; K94-T360 HydrophobicContact CD-CG2 4.46Å; K94-I364 HydrophobicContact CD-CG1 4.03Å; K94-I364 HydrophobicContact CG-CB 4.25Å; K94-I364 HydrophobicContact CG-CG1 4.18Å; K94-I364 HydrophobicContact CG-CG2 3.89Å
95	T	87.9	Confident	91.7	Very high	24 Å²	24	18.2 Å²	18.2	15%	0.147	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	135.3	-172.4	-60.5	0	0	0	0	107.7	D93 T97 N101	D93-T95 PolarHBondContact OD2-N 3.12Å; T95-T97 PolarHBondContact O-N 2.88Å; T95-N101 HydrophobicContact CG2-CB 4.35Å
96	G	87	Confident	91.4	Very high	11 Å²	11	21.4 Å²	21.4	11%	0.113	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-20.3	179.7	0	0	0	0	0	115.2	T99 Q333 D470	G96-T99 CarbonylContact C-O 3.5Å; G96-T99 VanDerWaalsContact CA-O 3.27Å; G96-T99 WeakPolarHBondContact CA-O 3.45Å; G96-T99 PolarHBondContact N-O 2.91Å; G96-T99 VanDerWaalsContact N-O 3.14Å; G96-Q333 PolarHBondContact O-NE2 2.79Å; G96-D470 VanDerWaalsContact CA-OD2 3.3Å; G96-D470 WeakPolarHBondContact CA-OD2 3.47Å
97	T	92.1	Very high	91.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-60.7	176.3	-65.5	0	0	0	0	113.2	S92 D93 T95 Q333 I468 G469 D470 I487 F506	S92-T97 WeakPolarHBondContact OG-CG2 3.26Å; D93-T97 WeakPolarHBondContact O-CB 3.35Å; D93-T97 WeakPolarHBondContact O-CG2 3.35Å; T95-T97 PolarHBondContact O-N 2.88Å; T97-Q333 PolarHBondContact O-NE2 2.95Å; T97-Q333 PolarHBondContact O-OE1 3.42Å; T97-I468 HydrophobicContact CG2-CG1 4.15Å; T97-I468 HydrophobicContact CG2-CG2 4.2Å; T97-G469 VanDerWaalsContact OG1-CA 3.31Å; T97-G469 WeakPolarHBondContact OG1-CA 3.4Å; T97-D470 PolarHBondContact OG1-N 3.16Å; T97-D470 PolarHBondContact OG1-OD1 3.44Å; T97-I487 HydrophobicContact CG2-CD1 3.66Å; T97-F506 HydrophobicContact CG2-CD2 4.05Å
98	L	93.9	Very high	91.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-34	176.6	-64.1	176.2	0	0	0	111.4	D93 K94 L332 Q333 V336 I340 I352 F506	D93-L98 WeakPolarHBondContact O-CG 3.29Å; K94-L98 PolarHBondContact O-N 2.95Å; K94-L98 VanDerWaalsContact O-N 3.09Å; L98-L332 WeakPolarHBondContact O-CA 3.16Å; L98-Q333 PolarHBondContact O-N 2.89Å; L98-V336 HydrophobicContact CD2-CG1 3.82Å; L98-I340 HydrophobicContact CD2-CD1 4.23Å; L98-I352 HydrophobicContact CD1-CD1 3.77Å; L98-I352 HydrophobicContact CD1-CG1 4.11Å; L98-F506 HydrophobicContact CD2-CD1 4.28Å; L98-F506 HydrophobicContact CD2-CD2 3.82Å; L98-F506 HydrophobicContact CD2-CE1 4.08Å; L98-F506 HydrophobicContact CD2-CE2 3.59Å; L98-F506 HydrophobicContact CD2-CG 4.16Å; L98-F506 HydrophobicContact CD2-CZ 3.73Å
99	T	90.9	Very high	91.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.9	179.4	84.5	0	0	0	0	111.5	K94 G96 N101 D330 K331 L332 I364	K94-T99 HydrophobicContact CG-CG2 4.27Å; K94-T99 PolarHBondContact NZ-OG1 2.83Å; K94-T99 PolarHBondContact O-N 2.95Å; G96-T99 CarbonylContact C-O 3.5Å; G96-T99 VanDerWaalsContact CA-O 3.27Å; G96-T99 WeakPolarHBondContact CA-O 3.45Å; G96-T99 PolarHBondContact N-O 2.91Å; G96-T99 VanDerWaalsContact N-O 3.14Å; T99-N101 PolarHBondContact O-N 3.34Å; T99-N101 PolarHBondContact OG1-N 3.31Å; T99-D330 VanDerWaalsContact CB-OD1 3.26Å; T99-D330 WeakPolarHBondContact CB-OD1 3.02Å; T99-D330 PolarHBondContact OG1-OD1 2.77Å; T99-K331 WeakPolarHBondContact CA-O 2.99Å; T99-L332 HydrophobicContact CG2-CD2 4.01Å; T99-I364 HydrophobicContact CG2-CD1 3.62Å; T99-I364 HydrophobicContact CG2-CG1 4.01Å; T99-I364 HydrophobicContact CG2-CG2 4.26Å
100	C	86	Confident	91.1	Very high	52 Å²	52	18.7 Å²	18.7	35%	0.351	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-3.3	174.1	-65.9	0	0	0	0	112.8	V102 K331 Q333	C100-V102 HydrophobicContact CB-CB 4.38Å; C100-V102 HydrophobicContact CB-CG2 4.16Å; C100-V102 PolarHBondContact O-N 2.91Å; C100-K331 PolarHBondContact N-O 3.05Å; C100-Q333 VanDerWaalsContact SG-CA 3.58Å
101	N	81.6	Confident	90.8	Very high	74 Å²	74	19 Å²	19	40%	0.396	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.2	34.9	-169.5	-159.6	12.2	0	0	0	112.7	T95 T99	T95-N101 HydrophobicContact CG2-CB 4.35Å; T99-N101 PolarHBondContact O-N 3.34Å; T99-N101 PolarHBondContact OG1-N 3.31Å
102	V	85.4	Confident	90.3	Very high	75 Å²	75	19.7 Å²	19.7	46%	0.455	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	113.4	177.7	178	0	0	0	0	108.7	C100 K331	C100-V102 HydrophobicContact CB-CB 4.38Å; C100-V102 HydrophobicContact CB-CG2 4.16Å; C100-V102 PolarHBondContact O-N 2.91Å; V102-K331 WeakPolarHBondContact O-CB 3.39Å; V102-K331 PolarHBondContact O-N 2.7Å
103	M	87.3	Confident	90	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.039	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.4	176.4	-57	-56.8	162.8	0	0	110.6	P175 A179 R182 I328 E329 D330	M103-P175 HydrophobicContact CB-CB 4.39Å; M103-P175 HydrophobicContact CE-CG 4.29Å; M103-P175 HydrophobicContact CG-CB 3.68Å; M103-P175 HydrophobicContact CG-CG 3.95Å; M103-A179 HydrophobicContact CB-CB 4.04Å; M103-A179 WeakPolarHBondContact O-CB 3.24Å; M103-R182 PolarHBondContact O-NH2 2.95Å; M103-I328 HydrophobicContact CB-CG2 3.89Å; M103-E329 WeakPolarHBondContact CA-O 3.31Å; M103-D330 HydrophobicContact CE-CB 4.02Å; M103-D330 HydrophobicContact SD-CB 3.6Å; M103-D330 VanDerWaalsContact SD-CB 3.6Å
104	Q	88.3	Confident	89.9	Confident	34 Å²	34	22.9 Å²	22.9	16%	0.159	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.7	-179.4	-171.3	169.3	11.9	0	0	110.8	K106 I328 E329	Q104-K106 HydrophobicContact CG-CD 4.26Å; Q104-K106 PolarHBondContact O-N 2.75Å; Q104-I328 CarbonylContact O-C 3.52Å; Q104-I328 WeakPolarHBondContact O-CA 3.32Å; Q104-E329 PolarHBondContact N-O 3.38Å; Q104-E329 PolarHBondContact O-N 2.59Å
105	F	90.8	Very high	89.8	Confident	9 Å²	9	22.9 Å²	22.9	4%	0.039	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.6	171.5	-170.4	-82.5	0	0	0	109.6	C108 F127 M153 L180 A183 T326 I328	F105-C108 HydrophobicContact CE1-CB 4.17Å; F105-C108 HydrophobicContact CZ-CB 3.7Å; F105-F127 HydrophobicContact CD1-CB 3.66Å; F105-F127 AromaticContact CD1-CD1 3.9Å; F105-F127 HydrophobicContact CD1-CD1 3.9Å; F105-F127 AromaticContact CD1-CD2 3.69Å; F105-F127 HydrophobicContact CD1-CD2 3.69Å; F105-F127 HydrophobicContact CD1-CE1 4.45Å; F105-F127 HydrophobicContact CD1-CE2 4.26Å; F105-F127 AromaticContact CD1-CG 3.47Å; F105-F127 HydrophobicContact CD1-CG 3.47Å; F105-F127 VanDerWaalsContact CD1-CG 3.47Å; F105-F127 HydrophobicContact CE1-CB 4.4Å; F105-F127 AromaticContact CE1-CD1 3.75Å; F105-F127 HydrophobicContact CE1-CD1 3.75Å; F105-F127 AromaticContact CE1-CD2 3.88Å; F105-F127 HydrophobicContact CE1-CD2 3.88Å; F105-F127 AromaticContact CE1-CE1 3.88Å; F105-F127 HydrophobicContact CE1-CE1 3.88Å; F105-F127 AromaticContact CE1-CE2 4Å; F105-F127 HydrophobicContact CE1-CE2 4Å; F105-F127 AromaticContact CE1-CG 3.75Å; F105-F127 HydrophobicContact CE1-CG 3.75Å; F105-F127 HydrophobicContact CE1-CZ 4Å; F105-M153 HydrophobicContact CD2-CE 4.06Å; F105-M153 HydrophobicContact CE2-CE 3.45Å; F105-M153 VanDerWaalsContact CE2-CE 3.45Å; F105-M153 HydrophobicContact CE2-SD 4.09Å; F105-M153 HydrophobicContact CZ-CE 3.92Å; F105-M153 HydrophobicContact CZ-SD 4.24Å; F105-L180 HydrophobicContact CD2-CD2 3.84Å; F105-L180 HydrophobicContact CE2-CD2 3.77Å; F105-A183 HydrophobicContact CB-CB 3.64Å; F105-A183 HydrophobicContact CD1-CB 3.89Å; F105-A183 HydrophobicContact CD2-CB 3.88Å; F105-A183 HydrophobicContact CE1-CB 4.45Å; F105-A183 HydrophobicContact CE2-CB 4.42Å; F105-A183 HydrophobicContact CG-CB 3.54Å; F105-T326 HydrophobicContact CE2-CG2 3.54Å; F105-T326 HydrophobicContact CZ-CG2 4.02Å; F105-I328 HydrophobicContact CD2-CG1 4.4Å
106	K	88.2	Confident	89.5	Confident	67 Å²	67	22.5 Å²	22.5	29%	0.291	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-44	-173.8	-68.9	-70.8	-76.9	-132.1	0	113.9	Q104 F127 L273 A327 E329	Q104-K106 HydrophobicContact CG-CD 4.26Å; Q104-K106 PolarHBondContact O-N 2.75Å; K106-F127 WeakPolarHBondContact O-CD2 3.32Å; K106-F127 WeakPolarHBondContact O-CE2 3.4Å; K106-L273 HydrophobicContact CB-CD2 4.37Å; K106-L273 HydrophobicContact CG-CD2 4.4Å; K106-A327 PolarHBondContact N-O 3.3Å; K106-E329 HydrophobicContact CD-CB 4.41Å; K106-E329 WeakPolarHBondContact CD-OE2 3.25Å; K106-E329 WeakPolarHBondContact CE-OE2 3.49Å; K106-E329 HydrophobicContact CG-CB 3.55Å; K106-E329 WeakPolarHBondContact CG-OE2 3.46Å; K106-E329 IonicContact NZ-OE2 2.91Å; K106-E329 PolarHBondContact NZ-OE2 3.35Å
107	K	91.8	Very high	88.6	Confident	25 Å²	25	27 Å²	27	11%	0.109	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.6	-175.3	-56.2	-174.1	176.3	-177.3	0	110.4	Y115 F268 E271 L273 A327	K107-Y115 WeakPolarHBondContact CA-O 3.22Å; K107-Y115 WeakPolarHBondContact CB-O 2.86Å; K107-F268 HydrophobicContact CB-CD1 4.28Å; K107-F268 HydrophobicContact CB-CE1 3.76Å; K107-F268 HydrophobicContact CB-CZ 3.88Å; K107-F268 HydrophobicContact CD-CD1 3.88Å; K107-F268 HydrophobicContact CD-CE1 3.61Å; K107-F268 HydrophobicContact CG-CE1 4.32Å; K107-E271 VanDerWaalsContact CE-OE2 3.31Å; K107-E271 WeakPolarHBondContact CE-OE2 3.47Å; K107-E271 IonicContact NZ-OE1 2.69Å; K107-E271 PolarHBondContact NZ-OE1 3.22Å; K107-E271 IonicContact NZ-OE2 3Å; K107-E271 PolarHBondContact NZ-OE2 2.93Å; K107-L273 HydrophobicContact CD-CD1 4.04Å; K107-L273 HydrophobicContact CG-CD1 4.24Å; K107-A327 HydrophobicContact CB-CB 3.99Å; K107-A327 PolarHBondContact N-O 3.23Å; K107-A327 PolarHBondContact O-N 2.62Å
108	C	93.6	Very high	86.8	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	162.5	167.5	60.1	0	0	0	0	110.4	F105 A114 Y115 F149 A325	F105-C108 HydrophobicContact CE1-CB 4.17Å; F105-C108 HydrophobicContact CZ-CB 3.7Å; C108-A114 CarbonylContact O-C 3.46Å; C108-A114 WeakPolarHBondContact O-CA 3.19Å; C108-Y115 PolarHBondContact N-O 3.29Å; C108-Y115 PolarHBondContact O-N 3.19Å; C108-F149 HydrophobicContact CB-CE1 4.38Å; C108-F149 HydrophobicContact CB-CZ 4.39Å; C108-A325 CarbonylContact C-O 3.5Å; C108-A325 VanDerWaalsContact CA-O 3.28Å; C108-A325 WeakPolarHBondContact CA-O 3.29Å; C108-A325 WeakPolarHBondContact CB-O 3.36Å
109	T	94.1	Very high	84.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.7	170.7	174.1	0	0	0	0	107.9	V113 T261 H264 F268 G324 A325	T109-V113 CarbonylContact C-O 3.53Å; T109-V113 VanDerWaalsContact CA-O 3.23Å; T109-V113 WeakPolarHBondContact CA-O 3.49Å; T109-T261 HydrophobicContact CG2-CG2 3.79Å; T109-H264 HydrophobicContact CG2-CB 4.07Å; T109-H264 PolarHBondContact OG1-ND1 3.13Å; T109-F268 HydrophobicContact CG2-CE2 4.03Å; T109-G324 CarbonylContact O-C 3.42Å; T109-G324 WeakPolarHBondContact O-CA 3.49Å; T109-A325 HydrophobicContact CG2-CB 3.71Å; T109-A325 PolarHBondContact N-O 3.36Å; T109-A325 PolarHBondContact O-N 3.16Å
110	I	94.5	Very high	82.1	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.8	-175.9	-51.9	171.1	0	0	0	108.1	G112 V113 Y115 L132 V145 I146 F149	I110-G112 PolarHBondContact O-N 3.04Å; I110-G112 VanDerWaalsContact O-N 3.14Å; I110-V113 PolarHBondContact N-O 3.42Å; I110-V113 PolarHBondContact O-N 3.21Å; I110-Y115 HydrophobicContact CB-CE2 4.11Å; I110-Y115 HydrophobicContact CD1-CD2 4.45Å; I110-Y115 HydrophobicContact CD1-CE2 4.45Å; I110-Y115 HydrophobicContact CG1-CD2 4.45Å; I110-Y115 HydrophobicContact CG1-CE2 4.42Å; I110-L132 HydrophobicContact CD1-CD1 3.83Å; I110-V145 HydrophobicContact CG2-CG1 4.16Å; I110-I146 HydrophobicContact CB-CG1 4.37Å; I110-I146 HydrophobicContact CG2-CB 4.44Å; I110-I146 HydrophobicContact CG2-CG1 3.79Å; I110-F149 HydrophobicContact CD1-CB 4.47Å; I110-F149 HydrophobicContact CD1-CD1 3.37Å; I110-F149 HydrophobicContact CD1-CE1 3.64Å; I110-F149 HydrophobicContact CD1-CG 4Å; I110-F149 HydrophobicContact CD1-CZ 4.45Å; I110-F149 HydrophobicContact CG1-CD1 3.65Å; I110-F149 HydrophobicContact CG1-CD2 4.27Å; I110-F149 HydrophobicContact CG1-CE1 3.7Å; I110-F149 HydrophobicContact CG1-CE2 4.31Å; I110-F149 HydrophobicContact CG1-CG 3.93Å; I110-F149 HydrophobicContact CG1-CZ 4.02Å; I110-F149 HydrophobicContact CG2-CB 4Å; I110-F149 HydrophobicContact CG2-CG 4.15Å
111	A	91.7	Very high	80	Confident	8 Å²	8	44.8 Å²	44.8	7%	0.066	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	34.6	-176.7	0	0	0	0	0	113.9	T142 V145 Y257 L323	A111-T142 HydrophobicContact CB-CG2 3.67Å; A111-V145 HydrophobicContact CB-CB 4.09Å; A111-V145 HydrophobicContact CB-CG1 3.93Å; A111-V145 HydrophobicContact CB-CG2 4.43Å; A111-Y257 HydrophobicContact CB-CE1 4.22Å; A111-Y257 HydrophobicContact CB-CE2 3.98Å; A111-Y257 WeakPolarHBondContact O-CE1 3.43Å; A111-L323 PolarHBondContact N-O 3.2Å
112	G	87.8	Confident	78.2	Confident	14 Å²	14	44.7 Å²	44.7	14%	0.144	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	4.2	-178.7	0	0	0	0	0	115.8	I110 I260 H264	I110-G112 PolarHBondContact O-N 3.04Å; I110-G112 VanDerWaalsContact O-N 3.14Å; G112-I260 WeakPolarHBondContact O-CG2 3.12Å; G112-H264 PolarHBondContact O-CE1 3.2Å
113	V	90.8	Very high	76.4	Confident	54 Å²	54	48.1 Å²	48.1	33%	0.327	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.9	175.7	-176.9	0	0	0	0	109.8	T109 I110 Y115	T109-V113 CarbonylContact C-O 3.53Å; T109-V113 VanDerWaalsContact CA-O 3.23Å; T109-V113 WeakPolarHBondContact CA-O 3.49Å; I110-V113 PolarHBondContact N-O 3.42Å; I110-V113 PolarHBondContact O-N 3.21Å; V113-Y115 HydrophobicContact CB-CE2 3.92Å; V113-Y115 HydrophobicContact CG1-CE1 4.12Å; V113-Y115 HydrophobicContact CG1-CE2 3.91Å; V113-Y115 WeakPolarHBondContact O-CD2 3.27Å; V113-Y115 VanDerWaalsContact O-CE2 3.28Å; V113-Y115 WeakPolarHBondContact O-CE2 3.41Å
114	A	91.4	Very high	74.4	Confident	22 Å²	22	57 Å²	57	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133	178.4	0	0	0	0	0	112.5	C108 F268	C108-A114 CarbonylContact O-C 3.46Å; C108-A114 WeakPolarHBondContact O-CA 3.19Å; A114-F268 HydrophobicContact CB-CZ 4.42Å
115	Y	90.4	Very high	72.5	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	156.8	-179.1	-57.3	-85.7	0	0	0	110.5	K107 C108 I110 V113 D129 S131 L132 N135	K107-Y115 WeakPolarHBondContact CA-O 3.22Å; K107-Y115 WeakPolarHBondContact CB-O 2.86Å; C108-Y115 PolarHBondContact N-O 3.29Å; C108-Y115 PolarHBondContact O-N 3.19Å; I110-Y115 HydrophobicContact CB-CE2 4.11Å; I110-Y115 HydrophobicContact CD1-CD2 4.45Å; I110-Y115 HydrophobicContact CD1-CE2 4.45Å; I110-Y115 HydrophobicContact CG1-CD2 4.45Å; I110-Y115 HydrophobicContact CG1-CE2 4.42Å; V113-Y115 HydrophobicContact CB-CE2 3.92Å; V113-Y115 HydrophobicContact CG1-CE1 4.12Å; V113-Y115 HydrophobicContact CG1-CE2 3.91Å; V113-Y115 WeakPolarHBondContact O-CD2 3.27Å; V113-Y115 VanDerWaalsContact O-CE2 3.28Å; V113-Y115 WeakPolarHBondContact O-CE2 3.41Å; Y115-D129 WeakPolarHBondContact CA-OD2 3.31Å; Y115-D129 WeakPolarHBondContact CB-OD2 3.29Å; Y115-S131 WeakPolarHBondContact CD1-OG 3.39Å; Y115-L132 HydrophobicContact CD1-CB 3.74Å; Y115-L132 HydrophobicContact CD1-CD1 4.06Å; Y115-L132 HydrophobicContact CD1-CG 4.48Å; Y115-L132 HydrophobicContact CD2-CD1 3.98Å; Y115-L132 HydrophobicContact CE1-CB 4.02Å; Y115-L132 HydrophobicContact CE1-CD1 3.91Å; Y115-L132 HydrophobicContact CE2-CD1 3.84Å; Y115-L132 HydrophobicContact CG-CB 4.24Å; Y115-L132 HydrophobicContact CG-CD1 4.09Å; Y115-N135 PolarHBondContact OH-ND2 3.43Å
116	G	81.1	Confident	71.1	Confident	16 Å²	16	58.3 Å²	58.3	17%	0.165	33%	0.331	C	S	.	.			trans	100.2	28.5	-178.4	0	0	0	0	0	114.7	D129	G116-D129 PolarHBondContact N-OD2 3.19Å
117	H	69.5	Low	70.4	Confident	107 Å²	107	55.7 Å²	55.7	50%	0.495	32%	0.32	S	S	.	.			trans	-96.1	-5.5	178.9	-69.9	90.9	0	0	0	114
118	S	53.9	Low	69.3	Low	53 Å²	53	59.2 Å²	59.2	37%	0.371	34%	0.34	S	S	.	.			trans	-74.4	129.2	-176.5	53.5	0	0	0	0	112.1	H120	S118-H120 PolarHBondContact O-N 3.29Å; S118-H120 VanDerWaalsContact O-N 3.09Å
119	T	46.3	Very low	68.6	Low	132 Å²	132	59.7 Å²	59.7	81%	0.81	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	5	179	42.3	0	0	0	0	114.5
120	H	39.9	Very low	67.8	Low	172 Å²	172	66.6 Å²	66.6	80%	0.796	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	17.2	-172.5	-75.3	-66.9	0	0	0	114.7	S118 S122	S118-H120 PolarHBondContact O-N 3.29Å; S118-H120 VanDerWaalsContact O-N 3.09Å; H120-S122 PolarHBondContact O-N 3.15Å
121	S	42.3	Very low	67.2	Low	67 Å²	67	68.7 Å²	68.7	47%	0.469	39%	0.389	S	S	.	.			trans	-71.7	94.1	168	62.4	0	0	0	0	109.7
122	S	43.4	Very low	66.9	Low	72 Å²	72	68.5 Å²	68.5	50%	0.503	39%	0.387	S	S	.	.			trans	-60.8	139.5	164	51.8	0	0	0	0	109	H120 E124 A125	H120-S122 PolarHBondContact O-N 3.15Å; S122-E124 PolarHBondContact O-N 2.71Å; S122-A125 PolarHBondContact O-N 3.11Å; S122-A125 VanDerWaalsContact O-N 3.1Å; S122-A125 WeakPolarHBondContact OG-CB 3.43Å
123	E	47.3	Very low	66.6	Low	148 Å²	148	70.2 Å²	70.2	69%	0.692	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.1	-173.3	-67	-163.5	-176.4	0	0	113.8	K331	E123-K331 IonicContact OE2-NZ 3.42Å; E123-K331 PolarHBondContact OE2-NZ 3.33Å
124	E	45	Very low	66.3	Low	195 Å²	195	72.3 Å²	72.3	91%	0.911	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.1	-177.8	-65.3	-176	158.9	0	0	114.7	S122	S122-E124 PolarHBondContact O-N 2.71Å
125	A	49.2	Very low	66	Low	51 Å²	51	73 Å²	73	42%	0.421	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.2	-169.8	0	0	0	0	0	114.9	S122 N186	S122-A125 PolarHBondContact O-N 3.11Å; S122-A125 VanDerWaalsContact O-N 3.1Å; S122-A125 WeakPolarHBondContact OG-CB 3.43Å; A125-N186 PolarHBondContact O-ND2 3.45Å
126	G	61.6	Low	65.6	Low	18 Å²	18	74.8 Å²	74.8	19%	0.186	41%	0.409	C	S	.	.			trans	68.9	-169.9	-175.4	0	0	0	0	0	113.5	N128	G126-N128 PolarHBondContact O-N 2.94Å
127	F	72.3	Confident	65.6	Low	13 Å²	13	80.9 Å²	80.9	6%	0.057	43%	0.433	C	S	.	.			trans	-68.4	116.3	177.8	-179.1	-97.3	0	0	0	110.5	F105 K106 D129 L132 L187	F105-F127 HydrophobicContact CD1-CB 3.66Å; F105-F127 AromaticContact CD1-CD1 3.9Å; F105-F127 HydrophobicContact CD1-CD1 3.9Å; F105-F127 AromaticContact CD1-CD2 3.69Å; F105-F127 HydrophobicContact CD1-CD2 3.69Å; F105-F127 HydrophobicContact CD1-CE1 4.45Å; F105-F127 HydrophobicContact CD1-CE2 4.26Å; F105-F127 AromaticContact CD1-CG 3.47Å; F105-F127 HydrophobicContact CD1-CG 3.47Å; F105-F127 VanDerWaalsContact CD1-CG 3.47Å; F105-F127 HydrophobicContact CE1-CB 4.4Å; F105-F127 AromaticContact CE1-CD1 3.75Å; F105-F127 HydrophobicContact CE1-CD1 3.75Å; F105-F127 AromaticContact CE1-CD2 3.88Å; F105-F127 HydrophobicContact CE1-CD2 3.88Å; F105-F127 AromaticContact CE1-CE1 3.88Å; F105-F127 HydrophobicContact CE1-CE1 3.88Å; F105-F127 AromaticContact CE1-CE2 4Å; F105-F127 HydrophobicContact CE1-CE2 4Å; F105-F127 AromaticContact CE1-CG 3.75Å; F105-F127 HydrophobicContact CE1-CG 3.75Å; F105-F127 HydrophobicContact CE1-CZ 4Å; K106-F127 WeakPolarHBondContact O-CD2 3.32Å; K106-F127 WeakPolarHBondContact O-CE2 3.4Å; F127-D129 HydrophobicContact CE1-CB 4.17Å; F127-D129 HydrophobicContact CE2-CB 4.35Å; F127-D129 HydrophobicContact CZ-CB 3.82Å; F127-L132 HydrophobicContact CE1-CD2 3.89Å; F127-L187 HydrophobicContact CD1-CD1 3.83Å; F127-L187 HydrophobicContact CD1-CG 4.46Å; F127-L187 HydrophobicContact CE1-CD1 3.9Å
128	N	68.6	Low	66	Low	98 Å²	98	81.5 Å²	81.5	52%	0.524	44%	0.44	S	S	.	.			trans	-142	85.9	177.2	-172.1	9.4	0	0	0	109	G126	G126-N128 PolarHBondContact O-N 2.94Å
129	D	78.6	Confident	66.9	Low	12 Å²	12	86 Å²	86	6%	0.064	46%	0.46	C	S	.	.			trans	-95.9	110.9	175.7	-166.8	-21.9	0	0	0	110	Y115 G116 F127 S131 L132 L133	Y115-D129 WeakPolarHBondContact CA-OD2 3.31Å; Y115-D129 WeakPolarHBondContact CB-OD2 3.29Å; G116-D129 PolarHBondContact N-OD2 3.19Å; F127-D129 HydrophobicContact CE1-CB 4.17Å; F127-D129 HydrophobicContact CE2-CB 4.35Å; F127-D129 HydrophobicContact CZ-CB 3.82Å; D129-S131 PolarHBondContact O-N 3.43Å; D129-S131 WeakPolarHBondContact OD1-CB 3.46Å; D129-S131 PolarHBondContact OD1-N 3.41Å; D129-S131 PolarHBondContact OD1-OG 2.87Å; D129-S131 PolarHBondContact OD2-OG 3.3Å; D129-L132 HydrophobicContact CB-CB 4.28Å; D129-L132 WeakPolarHBondContact O-CB 3.45Å; D129-L132 PolarHBondContact O-N 2.74Å; D129-L132 VanDerWaalsContact O-N 3.13Å; D129-L133 PolarHBondContact O-N 3.29Å
130	Q	77.1	Confident	68.6	Low	144 Å²	144	83.4 Å²	83.4	67%	0.673	44%	0.439	S	S	*	.	H	α-helix	trans	-57.7	-35	179.3	-122.2	168.6	-5.6	0	0	112.3	L132 L133 E134	Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.31Å; Q130-L133 PolarHBondContact O-N 2.87Å; Q130-E134 WeakPolarHBondContact O-CB 3.43Å; Q130-E134 WeakPolarHBondContact O-CG 3.1Å; Q130-E134 PolarHBondContact O-N 3.12Å
131	S	83.5	Confident	70.6	Confident	44 Å²	44	81 Å²	81	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-66.5	-31	179.9	67	0	0	0	0	112.7	Y115 D129 N135	Y115-S131 WeakPolarHBondContact CD1-OG 3.39Å; D129-S131 PolarHBondContact O-N 3.43Å; D129-S131 WeakPolarHBondContact OD1-CB 3.46Å; D129-S131 PolarHBondContact OD1-N 3.41Å; D129-S131 PolarHBondContact OD1-OG 2.87Å; D129-S131 PolarHBondContact OD2-OG 3.3Å; S131-N135 WeakPolarHBondContact O-CB 3.32Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 2.81Å; S131-N135 PolarHBondContact O-ND2 3.24Å
132	L	85.3	Confident	72.8	Confident	5 Å²	5	78.5 Å²	78.5	3%	0.026	42%	0.42	C	S	.	.	H	α-helix	trans	-69.5	-43.5	175.8	-178.1	65	0	0	0	111	I110 Y115 F127 D129 Q130 N135 L136 I146 M150 L187	I110-L132 HydrophobicContact CD1-CD1 3.83Å; Y115-L132 HydrophobicContact CD1-CB 3.74Å; Y115-L132 HydrophobicContact CD1-CD1 4.06Å; Y115-L132 HydrophobicContact CD1-CG 4.48Å; Y115-L132 HydrophobicContact CD2-CD1 3.98Å; Y115-L132 HydrophobicContact CE1-CB 4.02Å; Y115-L132 HydrophobicContact CE1-CD1 3.91Å; Y115-L132 HydrophobicContact CE2-CD1 3.84Å; Y115-L132 HydrophobicContact CG-CB 4.24Å; Y115-L132 HydrophobicContact CG-CD1 4.09Å; F127-L132 HydrophobicContact CE1-CD2 3.89Å; D129-L132 HydrophobicContact CB-CB 4.28Å; D129-L132 WeakPolarHBondContact O-CB 3.45Å; D129-L132 PolarHBondContact O-N 2.74Å; D129-L132 VanDerWaalsContact O-N 3.13Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.31Å; L132-N135 PolarHBondContact O-N 3.34Å; L132-L136 PolarHBondContact O-N 3.42Å; L132-L136 VanDerWaalsContact O-N 3.11Å; L132-I146 HydrophobicContact CD1-CD1 4.24Å; L132-I146 HydrophobicContact CD1-CG1 4.36Å; L132-I146 HydrophobicContact CD1-CG2 3.78Å; L132-M150 HydrophobicContact CD2-SD 4.46Å; L132-L187 HydrophobicContact CD2-CD1 3.61Å; L132-L187 HydrophobicContact CD2-CD2 4.24Å
133	L	81.3	Confident	74.8	Confident	50 Å²	50	75.8 Å²	75.8	26%	0.262	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-43	175.8	-83.2	121.5	0	0	0	111.7	D129 Q130 L136 Q137 L187	D129-L133 PolarHBondContact O-N 3.29Å; Q130-L133 PolarHBondContact O-N 2.87Å; L133-L136 WeakPolarHBondContact O-CB 3.37Å; L133-L136 PolarHBondContact O-N 3.18Å; L133-Q137 WeakPolarHBondContact O-CG 3.38Å; L133-Q137 PolarHBondContact O-N 3.04Å; L133-L187 HydrophobicContact CD1-CD2 3.72Å; L133-L187 HydrophobicContact CG-CD2 4.31Å
134	E	83.8	Confident	76.8	Confident	97 Å²	97	72.2 Å²	72.2	45%	0.453	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-44.5	176.1	-74.7	171.9	-168.9	0	0	111.7	Q130 L136 Q137 N138	Q130-E134 WeakPolarHBondContact O-CB 3.43Å; Q130-E134 WeakPolarHBondContact O-CG 3.1Å; Q130-E134 PolarHBondContact O-N 3.12Å; E134-L136 PolarHBondContact O-N 2.66Å; E134-Q137 PolarHBondContact O-N 2.58Å; E134-N138 VanDerWaalsContact O-CB 3.24Å; E134-N138 WeakPolarHBondContact O-CB 3.19Å; E134-N138 PolarHBondContact O-N 2.88Å; E134-N138 PolarHBondContact O-ND2 3.05Å
135	N	85.4	Confident	79	Confident	36 Å²	36	64.4 Å²	64.4	19%	0.193	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-29.8	176.9	-75.5	-17.8	0	0	0	112.7	Y115 S131 L132 H140 I146	Y115-N135 PolarHBondContact OH-ND2 3.43Å; S131-N135 WeakPolarHBondContact O-CB 3.32Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 2.81Å; S131-N135 PolarHBondContact O-ND2 3.24Å; L132-N135 PolarHBondContact O-N 3.34Å; N135-H140 HydrophobicContact CB-CB 4.35Å; N135-H140 WeakPolarHBondContact O-CB 3.33Å; N135-I146 HydrophobicContact CB-CD1 3.85Å
136	L	83.2	Confident	81.1	Confident	41 Å²	41	62 Å²	62	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-74	-40	174.3	-173	66.4	0	0	0	112	L132 L133 E134 I146 L147 F189	L132-L136 PolarHBondContact O-N 3.42Å; L132-L136 VanDerWaalsContact O-N 3.11Å; L133-L136 WeakPolarHBondContact O-CB 3.37Å; L133-L136 PolarHBondContact O-N 3.18Å; E134-L136 PolarHBondContact O-N 2.66Å; L136-I146 HydrophobicContact CD1-CB 4.42Å; L136-I146 HydrophobicContact CD1-CG2 4.05Å; L136-L147 HydrophobicContact CD1-CB 4.28Å; L136-L147 HydrophobicContact CD1-CD1 4.44Å; L136-F189 HydrophobicContact CD2-CE2 3.98Å; L136-F189 HydrophobicContact CD2-CZ 4.08Å
137	Q	80.8	Confident	82.5	Confident	144 Å²	144	64.6 Å²	64.6	67%	0.673	35%	0.353	S	S	*	.	H	α-helix	trans	-83	-32	-175.3	-70.2	178.9	-7.6	0	0	113.9	L133 E134 N139	L133-Q137 WeakPolarHBondContact O-CG 3.38Å; L133-Q137 PolarHBondContact O-N 3.04Å; E134-Q137 PolarHBondContact O-N 2.58Å; Q137-N139 VanDerWaalsContact C-N 3.3Å; Q137-N139 PolarHBondContact O-N 3.31Å
138	N	78.2	Confident	83.4	Confident	119 Å²	119	65.6 Å²	65.6	64%	0.636	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	21.8	-172	-68.9	-31.9	0	0	0	114.6	E134 H140	E134-N138 VanDerWaalsContact O-CB 3.24Å; E134-N138 WeakPolarHBondContact O-CB 3.19Å; E134-N138 PolarHBondContact O-N 2.88Å; E134-N138 PolarHBondContact O-ND2 3.05Å; N138-H140 PolarHBondContact O-N 2.8Å; N138-H140 VanDerWaalsContact O-N 3.15Å
139	N	71	Confident	84.6	Confident	149 Å²	149	61 Å²	61	80%	0.797	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	37.6	-177.8	-70.1	-33	0	0	0	113.7	Q137	Q137-N139 VanDerWaalsContact C-N 3.3Å; Q137-N139 PolarHBondContact O-N 3.31Å
140	H	82.1	Confident	85.3	Confident	77 Å²	77	60.6 Å²	60.6	36%	0.356	33%	0.331	S	S	.	.			trans	-61	148.9	176.2	-170.5	-98.4	0	0	0	110.3	N135 N138 T142 A143	N135-H140 HydrophobicContact CB-CB 4.35Å; N135-H140 WeakPolarHBondContact O-CB 3.33Å; N138-H140 PolarHBondContact O-N 2.8Å; N138-H140 VanDerWaalsContact O-N 3.15Å; H140-T142 PolarHBondContact ND1-N 2.88Å; H140-T142 PolarHBondContact ND1-OG1 3.14Å; H140-T142 PolarHBondContact O-N 2.82Å; H140-A143 WeakPolarHBondContact O-CB 3.37Å; H140-A143 PolarHBondContact O-N 3.34Å
141	P	83.1	Confident	86	Confident	122 Å²	122	54 Å²	54	79%	0.792	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.3	179.3	-28.8	35.8	0	0	0	114.8
142	T	87.2	Confident	86.6	Confident	14 Å²	14	51.9 Å²	51.9	9%	0.086	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.2	177.4	64.2	0	0	0	0	113.9	A111 H140 A144 V145 I146	A111-T142 HydrophobicContact CB-CG2 3.67Å; H140-T142 PolarHBondContact ND1-N 2.88Å; H140-T142 PolarHBondContact ND1-OG1 3.14Å; H140-T142 PolarHBondContact O-N 2.82Å; T142-A144 VanDerWaalsContact C-N 3.28Å; T142-A144 PolarHBondContact O-N 2.85Å; T142-V145 PolarHBondContact O-N 2.89Å; T142-I146 WeakPolarHBondContact O-CG1 3.44Å; T142-I146 PolarHBondContact O-N 2.88Å; T142-I146 WeakPolarHBondContact OG1-CD1 3.37Å
143	A	87.3	Confident	87	Confident	14 Å²	14	51.9 Å²	51.9	12%	0.116	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-39.8	-174.2	0	0	0	0	0	112.6	H140 V145 I146 L147	H140-A143 WeakPolarHBondContact O-CB 3.37Å; H140-A143 PolarHBondContact O-N 3.34Å; A143-V145 VanDerWaalsContact C-N 3.34Å; A143-V145 PolarHBondContact O-N 3.45Å; A143-I146 PolarHBondContact O-N 3.02Å; A143-L147 WeakPolarHBondContact O-CB 3.31Å; A143-L147 PolarHBondContact O-N 3.01Å
144	A	88.8	Confident	87.5	Confident	73 Å²	73	49.5 Å²	49.5	60%	0.603	27%	0.273	S	S	*	.	H	α-helix	trans	-62.6	-39.3	176	0	0	0	0	0	112.6	T142 E148	T142-A144 VanDerWaalsContact C-N 3.28Å; T142-A144 PolarHBondContact O-N 2.85Å; A144-E148 WeakPolarHBondContact O-CB 3.44Å; A144-E148 PolarHBondContact O-N 3.27Å; A144-E148 VanDerWaalsContact O-N 3.11Å
145	V	91.8	Very high	87.9	Confident	31 Å²	31	44.9 Å²	44.9	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-72.8	-36.5	177.8	-174.6	0	0	0	0	110.8	I110 A111 T142 A143 E148 F149 L323	I110-V145 HydrophobicContact CG2-CG1 4.16Å; A111-V145 HydrophobicContact CB-CB 4.09Å; A111-V145 HydrophobicContact CB-CG1 3.93Å; A111-V145 HydrophobicContact CB-CG2 4.43Å; T142-V145 PolarHBondContact O-N 2.89Å; A143-V145 VanDerWaalsContact C-N 3.34Å; A143-V145 PolarHBondContact O-N 3.45Å; V145-E148 PolarHBondContact O-N 3.28Å; V145-F149 VanDerWaalsContact O-CB 3.27Å; V145-F149 WeakPolarHBondContact O-CB 3.34Å; V145-F149 PolarHBondContact O-N 3.48Å; V145-L323 HydrophobicContact CG1-CB 4.44Å; V145-L323 HydrophobicContact CG1-CD2 3.93Å
146	I	91.6	Very high	88.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-48.5	174.8	-64.8	165.7	0	0	0	110.5	I110 L132 N135 L136 T142 A143 E148 F149 M150	I110-I146 HydrophobicContact CB-CG1 4.37Å; I110-I146 HydrophobicContact CG2-CB 4.44Å; I110-I146 HydrophobicContact CG2-CG1 3.79Å; L132-I146 HydrophobicContact CD1-CD1 4.24Å; L132-I146 HydrophobicContact CD1-CG1 4.36Å; L132-I146 HydrophobicContact CD1-CG2 3.78Å; N135-I146 HydrophobicContact CB-CD1 3.85Å; L136-I146 HydrophobicContact CD1-CB 4.42Å; L136-I146 HydrophobicContact CD1-CG2 4.05Å; T142-I146 WeakPolarHBondContact O-CG1 3.44Å; T142-I146 PolarHBondContact O-N 2.88Å; T142-I146 WeakPolarHBondContact OG1-CD1 3.37Å; A143-I146 PolarHBondContact O-N 3.02Å; I146-E148 VanDerWaalsContact C-N 3.28Å; I146-E148 PolarHBondContact O-N 2.89Å; I146-F149 PolarHBondContact O-N 2.92Å; I146-M150 HydrophobicContact CG2-CG 4.14Å; I146-M150 WeakPolarHBondContact O-CB 3.28Å; I146-M150 VanDerWaalsContact O-CG 3.25Å; I146-M150 WeakPolarHBondContact O-CG 3.27Å; I146-M150 PolarHBondContact O-N 3.3Å
147	L	90.9	Very high	88.7	Confident	73 Å²	73	41.4 Å²	41.4	38%	0.382	23%	0.233	S	C	.	.	H	α-helix	trans	-56.1	-45.1	176.4	-174.4	76.4	0	0	0	111.2	L136 A143 T151 F189 V203	L136-L147 HydrophobicContact CD1-CB 4.28Å; L136-L147 HydrophobicContact CD1-CD1 4.44Å; A143-L147 WeakPolarHBondContact O-CB 3.31Å; A143-L147 PolarHBondContact O-N 3.01Å; L147-T151 VanDerWaalsContact O-CB 3.27Å; L147-T151 WeakPolarHBondContact O-CB 3.09Å; L147-T151 PolarHBondContact O-N 3.41Å; L147-T151 PolarHBondContact O-OG1 3.36Å; L147-F189 HydrophobicContact CD1-CE1 3.8Å; L147-F189 HydrophobicContact CD1-CZ 3.84Å; L147-V203 HydrophobicContact CD1-CG1 3.86Å
148	E	91.9	Very high	89.2	Confident	34 Å²	34	34.8 Å²	34.8	16%	0.159	20%	0.202	C	C	.	.	H	α-helix	trans	-64.5	-45.7	178.1	-164.2	70.7	-159	0	0	112.1	A144 V145 I146 T151 M152 R237 Y239 L323	A144-E148 WeakPolarHBondContact O-CB 3.44Å; A144-E148 PolarHBondContact O-N 3.27Å; A144-E148 VanDerWaalsContact O-N 3.11Å; V145-E148 PolarHBondContact O-N 3.28Å; I146-E148 VanDerWaalsContact C-N 3.28Å; I146-E148 PolarHBondContact O-N 2.89Å; E148-T151 PolarHBondContact O-N 2.89Å; E148-M152 VanDerWaalsContact O-CB 3.29Å; E148-M152 WeakPolarHBondContact O-CB 3.45Å; E148-M152 PolarHBondContact O-N 3.33Å; E148-R237 IonicContact OE1-CZ 2.74Å; E148-R237 IonicContact OE1-NE 2.77Å; E148-R237 IonicContact OE1-NH1 2.67Å; E148-R237 PolarHBondContact OE1-NH1 2.94Å; E148-R237 IonicContact OE2-CZ 3.93Å; E148-R237 IonicContact OE2-NH1 2.77Å; E148-R237 PolarHBondContact OE2-NH1 3.24Å; E148-Y239 VanDerWaalsContact OE1-CE1 3.26Å; E148-Y239 WeakPolarHBondContact OE1-CE1 3.5Å; E148-Y239 PolarHBondContact OE1-OH 3.34Å; E148-L323 HydrophobicContact CB-CD1 4.36Å; E148-L323 HydrophobicContact CB-CD2 4.33Å; E148-L323 HydrophobicContact CG-CD1 3.88Å; E148-L323 HydrophobicContact CG-CD2 4.13Å
149	F	94.6	Very high	89.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-44.8	179.4	-178.8	-89.7	0	0	0	112	C108 I110 V145 I146 M152 M153 F278 L323 T326	C108-F149 HydrophobicContact CB-CE1 4.38Å; C108-F149 HydrophobicContact CB-CZ 4.39Å; I110-F149 HydrophobicContact CD1-CB 4.47Å; I110-F149 HydrophobicContact CD1-CD1 3.37Å; I110-F149 HydrophobicContact CD1-CE1 3.64Å; I110-F149 HydrophobicContact CD1-CG 4Å; I110-F149 HydrophobicContact CD1-CZ 4.45Å; I110-F149 HydrophobicContact CG1-CD1 3.65Å; I110-F149 HydrophobicContact CG1-CD2 4.27Å; I110-F149 HydrophobicContact CG1-CE1 3.7Å; I110-F149 HydrophobicContact CG1-CE2 4.31Å; I110-F149 HydrophobicContact CG1-CG 3.93Å; I110-F149 HydrophobicContact CG1-CZ 4.02Å; I110-F149 HydrophobicContact CG2-CB 4Å; I110-F149 HydrophobicContact CG2-CG 4.15Å; V145-F149 VanDerWaalsContact O-CB 3.27Å; V145-F149 WeakPolarHBondContact O-CB 3.34Å; V145-F149 PolarHBondContact O-N 3.48Å; I146-F149 PolarHBondContact O-N 2.92Å; F149-M152 WeakPolarHBondContact O-CB 3.2Å; F149-M152 PolarHBondContact O-N 2.8Å; F149-M153 HydrophobicContact CD1-CG 4.44Å; F149-M153 HydrophobicContact CD1-SD 3.94Å; F149-M153 HydrophobicContact CE1-CG 4.21Å; F149-M153 HydrophobicContact CE1-SD 3.4Å; F149-M153 WeakPolarHBondContact CE1-SD 3.13Å; F149-M153 HydrophobicContact CZ-SD 4.16Å; F149-M153 PolarHBondContact O-N 2.85Å; F149-F278 HydrophobicContact CD2-CB 3.95Å; F149-F278 HydrophobicContact CD2-CG 4.31Å; F149-F278 HydrophobicContact CE2-CB 3.72Å; F149-F278 HydrophobicContact CE2-CD1 4.49Å; F149-F278 AromaticContact CE2-CD2 3.94Å; F149-F278 HydrophobicContact CE2-CD2 3.94Å; F149-F278 AromaticContact CE2-CG 3.8Å; F149-F278 HydrophobicContact CE2-CG 3.8Å; F149-F278 HydrophobicContact CZ-CD2 4.27Å; F149-F278 HydrophobicContact CZ-CG 4.43Å; F149-L323 HydrophobicContact CB-CB 4.41Å; F149-L323 HydrophobicContact CD2-CB 3.91Å; F149-T326 HydrophobicContact CE1-CG2 4.11Å; F149-T326 HydrophobicContact CE2-CG2 4.49Å; F149-T326 HydrophobicContact CZ-CG2 3.52Å
150	M	92.6	Very high	90.6	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-67.8	-41.5	178.9	-69.7	-55.3	-57.8	0	0	112	L132 I146 M152 M153 A154 A184 L187 F189	L132-M150 HydrophobicContact CD2-SD 4.46Å; I146-M150 HydrophobicContact CG2-CG 4.14Å; I146-M150 WeakPolarHBondContact O-CB 3.28Å; I146-M150 VanDerWaalsContact O-CG 3.25Å; I146-M150 WeakPolarHBondContact O-CG 3.27Å; I146-M150 PolarHBondContact O-N 3.3Å; M150-M152 VanDerWaalsContact C-N 3.33Å; M150-M152 PolarHBondContact O-N 3.42Å; M150-M153 PolarHBondContact O-N 3.42Å; M150-M153 HydrophobicContact SD-SD 4.29Å; M150-A154 PolarHBondContact O-N 2.95Å; M150-A154 VanDerWaalsContact O-N 3.16Å; M150-A184 HydrophobicContact CE-CB 4.38Å; M150-L187 HydrophobicContact CE-CB 3.61Å; M150-L187 HydrophobicContact CE-CD1 3.33Å; M150-L187 HydrophobicContact CE-CG 4.11Å; M150-L187 HydrophobicContact SD-CD1 3.93Å; M150-F189 HydrophobicContact CB-CD1 3.78Å; M150-F189 HydrophobicContact CB-CD2 3.68Å; M150-F189 HydrophobicContact CB-CE1 3.57Å; M150-F189 HydrophobicContact CB-CE2 3.49Å; M150-F189 VanDerWaalsContact CB-CE2 3.49Å; M150-F189 HydrophobicContact CB-CG 3.82Å; M150-F189 HydrophobicContact CB-CZ 3.43Å; M150-F189 VanDerWaalsContact CB-CZ 3.43Å; M150-F189 HydrophobicContact CE-CD2 3.86Å; M150-F189 HydrophobicContact CE-CE2 4.31Å; M150-F189 HydrophobicContact CE-CG 4.47Å; M150-F189 HydrophobicContact CG-CD2 4.23Å; M150-F189 HydrophobicContact CG-CE2 3.85Å; M150-F189 HydrophobicContact CG-CZ 4.09Å
151	T	92.4	Very high	91	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-44.8	172.3	-59.6	0	0	0	0	110.6	L147 E148 M153 A154 I155 Y210	L147-T151 VanDerWaalsContact O-CB 3.27Å; L147-T151 WeakPolarHBondContact O-CB 3.09Å; L147-T151 PolarHBondContact O-N 3.41Å; L147-T151 PolarHBondContact O-OG1 3.36Å; E148-T151 PolarHBondContact O-N 2.89Å; T151-M153 VanDerWaalsContact C-N 3.35Å; T151-M153 PolarHBondContact O-N 2.98Å; T151-A154 PolarHBondContact O-N 3.1Å; T151-I155 HydrophobicContact CG2-CD1 4.06Å; T151-I155 VanDerWaalsContact O-CG1 3.32Å; T151-I155 WeakPolarHBondContact O-CG1 3.49Å; T151-I155 PolarHBondContact O-N 3.33Å; T151-Y210 HydrophobicContact CG2-CE1 4.44Å; T151-Y210 HydrophobicContact CG2-CE2 4.34Å
152	M	94.8	Very high	91.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.7	-42	176.7	-178	174.4	172	0	0	112.5	E148 F149 M150 A154 I155 C156 Y239 C240 K241 F278 A279 L323	E148-M152 VanDerWaalsContact O-CB 3.29Å; E148-M152 WeakPolarHBondContact O-CB 3.45Å; E148-M152 PolarHBondContact O-N 3.33Å; F149-M152 WeakPolarHBondContact O-CB 3.2Å; F149-M152 PolarHBondContact O-N 2.8Å; M150-M152 VanDerWaalsContact C-N 3.33Å; M150-M152 PolarHBondContact O-N 3.42Å; M152-A154 PolarHBondContact O-N 3.3Å; M152-I155 PolarHBondContact O-N 3.07Å; M152-C156 HydrophobicContact CG-CB 4.05Å; M152-C156 WeakPolarHBondContact O-CB 3.18Å; M152-C156 PolarHBondContact O-N 3.48Å; M152-Y239 HydrophobicContact CB-CD1 3.87Å; M152-Y239 HydrophobicContact CB-CE1 4.22Å; M152-Y239 HydrophobicContact CG-CD1 3.63Å; M152-Y239 HydrophobicContact CG-CE1 4.46Å; M152-Y239 HydrophobicContact CG-CG 4.02Å; M152-Y239 HydrophobicContact SD-CD1 3.71Å; M152-Y239 HydrophobicContact SD-CG 4.34Å; M152-C240 VanDerWaalsContact CE-N 3.26Å; M152-C240 WeakPolarHBondContact CE-O 3.26Å; M152-K241 HydrophobicContact CE-CB 4.23Å; M152-F278 HydrophobicContact CE-CB 4.01Å; M152-F278 HydrophobicContact CE-CD1 3.61Å; M152-F278 HydrophobicContact CE-CE1 4.48Å; M152-F278 HydrophobicContact CE-CG 4.18Å; M152-F278 HydrophobicContact CG-CD1 3.86Å; M152-F278 HydrophobicContact CG-CE1 4.47Å; M152-F278 HydrophobicContact SD-CB 3.95Å; M152-F278 HydrophobicContact SD-CD1 3.74Å; M152-F278 HydrophobicContact SD-CG 4.34Å; M152-A279 WeakPolarHBondContact CE-O 3.38Å; M152-L323 HydrophobicContact SD-CD1 3.88Å
153	M	93.6	Very high	91	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.02	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-34.1	174.2	-77.7	-178.3	54.3	0	0	112.8	F105 F149 M150 T151 H157 L180 A183 A184 F278 T326	F105-M153 HydrophobicContact CD2-CE 4.06Å; F105-M153 HydrophobicContact CE2-CE 3.45Å; F105-M153 VanDerWaalsContact CE2-CE 3.45Å; F105-M153 HydrophobicContact CE2-SD 4.09Å; F105-M153 HydrophobicContact CZ-CE 3.92Å; F105-M153 HydrophobicContact CZ-SD 4.24Å; F149-M153 HydrophobicContact CD1-CG 4.44Å; F149-M153 HydrophobicContact CD1-SD 3.94Å; F149-M153 HydrophobicContact CE1-CG 4.21Å; F149-M153 HydrophobicContact CE1-SD 3.4Å; F149-M153 WeakPolarHBondContact CE1-SD 3.13Å; F149-M153 HydrophobicContact CZ-SD 4.16Å; F149-M153 PolarHBondContact O-N 2.85Å; M150-M153 PolarHBondContact O-N 3.42Å; M150-M153 HydrophobicContact SD-SD 4.29Å; T151-M153 VanDerWaalsContact C-N 3.35Å; T151-M153 PolarHBondContact O-N 2.98Å; M153-H157 PolarHBondContact O-CD2 3.23Å; M153-L180 HydrophobicContact CE-CB 4.25Å; M153-L180 HydrophobicContact CE-CD2 3.85Å; M153-L180 WeakPolarHBondContact CE-O 3.41Å; M153-A183 HydrophobicContact CE-CB 4.07Å; M153-A184 HydrophobicContact CB-CB 4.27Å; M153-F278 HydrophobicContact CG-CD1 4.39Å; M153-F278 HydrophobicContact CG-CE1 3.76Å; M153-F278 HydrophobicContact CG-CZ 4.07Å; M153-T326 HydrophobicContact SD-CG2 4.02Å
154	A	93	Very high	90.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-84.3	-6.6	-179.6	0	0	0	0	0	114.7	M150 T151 M152 H157 A184 F189 V201	M150-A154 PolarHBondContact O-N 2.95Å; M150-A154 VanDerWaalsContact O-N 3.16Å; T151-A154 PolarHBondContact O-N 3.1Å; M152-A154 PolarHBondContact O-N 3.3Å; A154-H157 VanDerWaalsContact C-NE2 3.29Å; A154-H157 PolarHBondContact O-NE2 3.48Å; A154-A184 HydrophobicContact CB-CB 4.11Å; A154-F189 HydrophobicContact CB-CB 4.29Å; A154-V201 HydrophobicContact CB-CG1 3.95Å; A154-V201 HydrophobicContact CB-CG2 4.43Å
155	I	92.3	Very high	90.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-128.1	-29.2	-176.9	69.8	-171.8	0	0	0	115	T151 M152 H157 V199 V201 Y210 M229 Y239	T151-I155 HydrophobicContact CG2-CD1 4.06Å; T151-I155 VanDerWaalsContact O-CG1 3.32Å; T151-I155 WeakPolarHBondContact O-CG1 3.49Å; T151-I155 PolarHBondContact O-N 3.33Å; M152-I155 PolarHBondContact O-N 3.07Å; I155-H157 VanDerWaalsContact C-N 3.26Å; I155-H157 PolarHBondContact O-N 3.36Å; I155-V199 HydrophobicContact CB-CG1 4.38Å; I155-V199 HydrophobicContact CG2-CG1 3.96Å; I155-V201 HydrophobicContact CG2-CG2 3.41Å; I155-V201 VanDerWaalsContact CG2-CG2 3.41Å; I155-Y210 HydrophobicContact CD1-CD1 4.37Å; I155-M229 HydrophobicContact CB-CE 3.44Å; I155-M229 VanDerWaalsContact CB-CE 3.44Å; I155-M229 HydrophobicContact CD1-CE 3.64Å; I155-M229 HydrophobicContact CG1-CE 3.75Å; I155-M229 HydrophobicContact CG2-CE 3.98Å; I155-Y239 HydrophobicContact CD1-CD2 3.68Å; I155-Y239 HydrophobicContact CD1-CE1 4.48Å; I155-Y239 HydrophobicContact CD1-CE2 3.33Å; I155-Y239 HydrophobicContact CD1-CG 4.38Å; I155-Y239 HydrophobicContact CG1-CD2 4.32Å; I155-Y239 HydrophobicContact CG1-CE2 4.42Å
156	C	93.2	Very high	89.4	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	19%	0.194	C	C	.	.	S	Bend	trans	-85.3	64.9	-176.7	-172.2	0	0	0	0	110.6	M152 V227 K241	M152-C156 HydrophobicContact CG-CB 4.05Å; M152-C156 WeakPolarHBondContact O-CB 3.18Å; M152-C156 PolarHBondContact O-N 3.48Å; C156-V227 HydrophobicContact CB-CG2 3.9Å; C156-K241 WeakPolarHBondContact O-CD 3.42Å; C156-K241 VanDerWaalsContact O-CE 3.24Å; C156-K241 WeakPolarHBondContact O-CE 3.49Å; C156-K241 PolarHBondContact O-NZ 2.73Å
157	H	92.3	Very high	88.9	Confident	2 Å²	2	42 Å²	42	1%	0.009	22%	0.223	C	C	.	.	S	Bend	trans	-157.6	168.8	179.1	59.9	73.2	0	0	0	112.5	M153 A154 I155 A159 E177 V181 F191 R194	M153-H157 PolarHBondContact O-CD2 3.23Å; A154-H157 VanDerWaalsContact C-NE2 3.29Å; A154-H157 PolarHBondContact O-NE2 3.48Å; I155-H157 VanDerWaalsContact C-N 3.26Å; I155-H157 PolarHBondContact O-N 3.36Å; H157-A159 WeakPolarHBondContact ND1-CB 3.27Å; H157-A159 PolarHBondContact ND1-N 2.95Å; H157-E177 HydrophobicContact CB-CB 4.42Å; H157-E177 HydrophobicContact CB-CG 4.43Å; H157-E177 WeakPolarHBondContact CB-OE2 3.21Å; H157-V181 HydrophobicContact CB-CG2 4.36Å; H157-V181 WeakPolarHBondContact CD2-CG2 3.05Å; H157-V181 WeakPolarHBondContact NE2-CG2 3.44Å; H157-F191 AromaticContact CE1-CD1 3.53Å; H157-F191 AromaticContact CE1-CE1 3.49Å; H157-F191 VanDerWaalsContact CE1-CE1 3.49Å; H157-F191 WeakPolarHBondContact CE1-CE1 3.37Å; H157-F191 AromaticContact CE1-CG 3.94Å; H157-F191 AromaticContact CE1-CZ 3.88Å; H157-F191 AromaticContact NE2-CD1 4Å; H157-R194 PolarHBondContact O-NH1 3.46Å
158	T	90.2	Very high	88.7	Confident	4 Å²	4	39.5 Å²	39.5	3%	0.025	21%	0.21	C	C	.	.			trans	-104.8	9.3	172.9	56.8	0	0	0	0	113.7	E177 M225 Q816 I820	T158-E177 PolarHBondContact N-OE2 3.43Å; T158-E177 PolarHBondContact OG1-OE2 3.17Å; T158-M225 HydrophobicContact CG2-CE 3.32Å; T158-Q816 HydrophobicContact CG2-CB 3.87Å; T158-Q816 PolarHBondContact OG1-OE1 3.15Å; T158-I820 HydrophobicContact CG2-CG2 3.95Å
159	A	90.1	Very high	88.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.			trans	-56.2	147.7	174.2	0	0	0	0	0	113.3	H157 Q171 A172 V181 F191	H157-A159 WeakPolarHBondContact ND1-CB 3.27Å; H157-A159 PolarHBondContact ND1-N 2.95Å; A159-Q171 CarbonylContact C-O 3.52Å; A159-Q171 VanDerWaalsContact CA-O 3.28Å; A159-Q171 WeakPolarHBondContact CA-O 3.16Å; A159-A172 HydrophobicContact CB-CB 3.85Å; A159-V181 HydrophobicContact CB-CG2 4.26Å; A159-F191 WeakPolarHBondContact O-CE1 3.45Å
160	V	89.4	Confident	88.2	Confident	33 Å²	33	42.5 Å²	42.5	20%	0.2	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.7	179	-177.4	0	0	0	0	108.7	Q171 T825	V160-Q171 PolarHBondContact N-O 3.35Å; V160-Q171 PolarHBondContact O-N 3.19Å; V160-T825 HydrophobicContact CG1-CG2 3.63Å
161	P	89.7	Confident	87.9	Confident	8 Å²	8	47.9 Å²	47.9	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.7	178.4	32.8	-26.7	0	0	0	110	I168 Y170 F191 T825	P161-I168 HydrophobicContact CB-CG2 3.77Å; P161-Y170 HydrophobicContact CB-CD1 4.05Å; P161-Y170 HydrophobicContact CB-CE1 3.96Å; P161-F191 HydrophobicContact CB-CD1 4.19Å; P161-F191 HydrophobicContact CB-CE1 3.93Å; P161-F191 HydrophobicContact CB-CZ 4.47Å; P161-F191 VanDerWaalsContact CD-CZ 3.44Å; P161-F191 HydrophobicContact CG-CD1 4.21Å; P161-F191 HydrophobicContact CG-CE1 3.59Å; P161-F191 HydrophobicContact CG-CE2 4.26Å; P161-F191 HydrophobicContact CG-CZ 3.64Å; P161-T825 HydrophobicContact CG-CG2 4.39Å
162	E	86.5	Confident	87.6	Confident	92 Å²	92	49.1 Å²	49.1	43%	0.43	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.1	174.2	-169.4	175	-162.6	0	0	109.2	V164 I168 N169	E162-V164 HydrophobicContact CG-CG2 4.02Å; E162-I168 CarbonylContact O-C 3.54Å; E162-I168 WeakPolarHBondContact O-CA 3.32Å; E162-N169 PolarHBondContact N-O 2.97Å; E162-N169 PolarHBondContact O-N 3.3Å
163	R	83.3	Confident	87.1	Confident	174 Å²	174	51.3 Å²	51.3	66%	0.657	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.8	177.4	-73.6	-177.2	-178.4	-171.2	0.6	109.4	I168 S192	R163-I168 HydrophobicContact CG-CG1 4.06Å; R163-S192 PolarHBondContact NH2-OG 3.2Å
164	V	80.1	Confident	86.8	Confident	58 Å²	58	51.1 Å²	51.1	35%	0.352	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.4	175.3	-173.4	0	0	0	0	107.7	E162 G166 K167	E162-V164 HydrophobicContact CG-CG2 4.02Å; V164-G166 VanDerWaalsContact C-N 3.27Å; V164-G166 PolarHBondContact O-N 2.82Å; V164-G166 VanDerWaalsContact O-N 3.16Å; V164-K167 PolarHBondContact N-O 2.94Å; V164-K167 PolarHBondContact O-N 2.89Å
165	D	76.9	Confident	86.5	Confident	162 Å²	162	53.3 Å²	53.3	87%	0.866	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.7	177.5	-54.8	-35.2	0	0	0	115	K167	D165-K167 PolarHBondContact O-N 2.88Å
166	G	77.3	Confident	86.3	Confident	82 Å²	82	53.3 Å²	53.3	85%	0.845	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	2.5	-178.8	0	0	0	0	0	114.9	V164	V164-G166 VanDerWaalsContact C-N 3.27Å; V164-G166 PolarHBondContact O-N 2.82Å; V164-G166 VanDerWaalsContact O-N 3.16Å
167	K	82.3	Confident	86.2	Confident	143 Å²	143	53.2 Å²	53.2	62%	0.622	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.5	171.1	-68.6	179.5	-178.8	176.1	0	110.3	V164 D165	V164-K167 PolarHBondContact N-O 2.94Å; V164-K167 PolarHBondContact O-N 2.89Å; D165-K167 PolarHBondContact O-N 2.88Å
168	I	85.7	Confident	86.1	Confident	21 Å²	21	53.3 Å²	53.3	11%	0.108	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.3	172.9	-57.5	170.6	0	0	0	108.4	P161 E162 R163 Y170 R185 V190	P161-I168 HydrophobicContact CB-CG2 3.77Å; E162-I168 CarbonylContact O-C 3.54Å; E162-I168 WeakPolarHBondContact O-CA 3.32Å; R163-I168 HydrophobicContact CG-CG1 4.06Å; I168-Y170 HydrophobicContact CG2-CD1 3.98Å; I168-Y170 HydrophobicContact CG2-CE1 3.44Å; I168-Y170 VanDerWaalsContact CG2-CE1 3.44Å; I168-Y170 HydrophobicContact CG2-CE2 4.43Å; I168-R185 PolarHBondContact O-NH1 3.4Å; I168-V190 HydrophobicContact CD1-CG1 3.86Å
169	N	87.3	Confident	86.1	Confident	79 Å²	79	53.2 Å²	53.2	42%	0.422	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.2	169.2	-74.1	-16.9	0	0	0	108.9	E162	E162-N169 PolarHBondContact N-O 2.97Å; E162-N169 PolarHBondContact O-N 3.3Å
170	Y	88.9	Confident	86.3	Confident	18 Å²	18	53.4 Å²	53.4	7%	0.071	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.9	179.3	-60.4	-62.5	0	0	0	110	P161 I168 V181 R182 R185 F191	P161-Y170 HydrophobicContact CB-CD1 4.05Å; P161-Y170 HydrophobicContact CB-CE1 3.96Å; I168-Y170 HydrophobicContact CG2-CD1 3.98Å; I168-Y170 HydrophobicContact CG2-CE1 3.44Å; I168-Y170 VanDerWaalsContact CG2-CE1 3.44Å; I168-Y170 HydrophobicContact CG2-CE2 4.43Å; Y170-V181 HydrophobicContact CD1-CG1 3.8Å; Y170-V181 HydrophobicContact CD2-CB 4.35Å; Y170-V181 HydrophobicContact CD2-CG1 3.75Å; Y170-V181 HydrophobicContact CE1-CG1 3.79Å; Y170-V181 HydrophobicContact CE2-CG1 3.74Å; Y170-V181 HydrophobicContact CG-CB 4.43Å; Y170-V181 HydrophobicContact CG-CG1 3.79Å; Y170-R182 HydrophobicContact CD2-CG 4.1Å; Y170-R185 HydrophobicContact CE2-CB 4.08Å; Y170-R185 HydrophobicContact CE2-CG 4.48Å; Y170-F191 AromaticContact CD1-CD1 3.74Å; Y170-F191 HydrophobicContact CD1-CD1 3.74Å; Y170-F191 HydrophobicContact CD1-CE1 4.32Å; Y170-F191 HydrophobicContact CE1-CB 3.97Å; Y170-F191 AromaticContact CE1-CD1 3.46Å; Y170-F191 HydrophobicContact CE1-CD1 3.46Å; Y170-F191 VanDerWaalsContact CE1-CD1 3.46Å; Y170-F191 HydrophobicContact CE1-CE1 4.35Å; Y170-F191 HydrophobicContact CE1-CG 4.11Å; Y170-F191 VanDerWaalsContact CE1-O 3.23Å; Y170-F191 WeakPolarHBondContact CE1-O 3.43Å; Y170-F191 PolarHBondContact OH-O 3.44Å
171	Q	87.4	Confident	86.4	Confident	116 Å²	116	51.9 Å²	51.9	54%	0.542	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125	171	-63.4	-64.5	-9.4	0	0	108.7	A159 V160	A159-Q171 CarbonylContact C-O 3.52Å; A159-Q171 VanDerWaalsContact CA-O 3.28Å; A159-Q171 WeakPolarHBondContact CA-O 3.16Å; V160-Q171 PolarHBondContact N-O 3.35Å; V160-Q171 PolarHBondContact O-N 3.19Å
172	A	86.4	Confident	86.5	Confident	32 Å²	32	56.8 Å²	56.8	26%	0.264	30%	0.303	S	S	.	.			trans	-137.4	141.6	179.6	0	0	0	0	0	109.7	A159 S174 E177	A159-A172 HydrophobicContact CB-CB 3.85Å; A172-S174 VanDerWaalsContact CB-O 3.29Å; A172-S174 WeakPolarHBondContact CB-O 3.24Å; A172-S174 PolarHBondContact O-N 3.19Å; A172-E177 HydrophobicContact CB-CB 4.3Å
173	A	83.7	Confident	86.6	Confident	46 Å²	46	52.6 Å²	52.6	38%	0.38	28%	0.284	S	S	.	.	S	Bend	trans	-65.4	-27.2	172.9	0	0	0	0	0	111.9
174	S	86.1	Confident	87	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-104.1	124.8	173.4	172.9	0	0	0	0	110.4	A172 D176 E177 G178 S807	A172-S174 VanDerWaalsContact CB-O 3.29Å; A172-S174 WeakPolarHBondContact CB-O 3.24Å; A172-S174 PolarHBondContact O-N 3.19Å; S174-D176 PolarHBondContact O-N 2.82Å; S174-D176 PolarHBondContact OG-N 2.99Å; S174-E177 PolarHBondContact O-N 3.34Å; S174-E177 PolarHBondContact OG-N 3.2Å; S174-G178 PolarHBondContact O-N 2.94Å; S174-G178 VanDerWaalsContact O-N 3.1Å; S174-S807 WeakPolarHBondContact CA-O 3.3Å; S174-S807 WeakPolarHBondContact CB-O 3.29Å; S174-S807 PolarHBondContact OG-O 3.49Å
175	P	87.4	Confident	87.5	Confident	47 Å²	47	45.6 Å²	45.6	31%	0.305	25%	0.251	S	S	.	.	H	α-helix	trans	-68.8	-26.6	174.8	30.2	-35.4	0	0	0	112.1	M103 G178 A179	M103-P175 HydrophobicContact CB-CB 4.39Å; M103-P175 HydrophobicContact CE-CG 4.29Å; M103-P175 HydrophobicContact CG-CB 3.68Å; M103-P175 HydrophobicContact CG-CG 3.95Å; P175-G178 PolarHBondContact O-N 3.02Å; P175-A179 PolarHBondContact O-N 3.5Å
176	D	88.8	Confident	87.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-44.2	174.6	-58.3	-43.7	0	0	0	110.1	S174 A179 L180 R274 I328 F806 S807	S174-D176 PolarHBondContact O-N 2.82Å; S174-D176 PolarHBondContact OG-N 2.99Å; D176-A179 WeakPolarHBondContact O-CB 3.42Å; D176-A179 PolarHBondContact O-N 3.49Å; D176-L180 WeakPolarHBondContact O-CG 3.38Å; D176-L180 PolarHBondContact O-N 2.93Å; D176-R274 IonicContact OD1-NH1 3.19Å; D176-R274 PolarHBondContact OD1-NH1 2.96Å; D176-R274 IonicContact OD2-NH1 2.95Å; D176-I328 HydrophobicContact CB-CD1 4.01Å; D176-F806 HydrophobicContact CB-CD2 3.8Å; D176-F806 HydrophobicContact CB-CE2 3.8Å; D176-F806 WeakPolarHBondContact OD2-CA 3.44Å; D176-S807 PolarHBondContact OD2-N 3.26Å
177	E	90.3	Very high	88.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-44.3	172.7	-66.7	-165.6	163.2	0	0	112.4	H157 T158 A172 S174 A179 L180 V181 M225 K241 F806	H157-E177 HydrophobicContact CB-CB 4.42Å; H157-E177 HydrophobicContact CB-CG 4.43Å; H157-E177 WeakPolarHBondContact CB-OE2 3.21Å; T158-E177 PolarHBondContact N-OE2 3.43Å; T158-E177 PolarHBondContact OG1-OE2 3.17Å; A172-E177 HydrophobicContact CB-CB 4.3Å; S174-E177 PolarHBondContact O-N 3.34Å; S174-E177 PolarHBondContact OG-N 3.2Å; E177-A179 PolarHBondContact O-N 3.11Å; E177-L180 WeakPolarHBondContact O-CB 3.41Å; E177-L180 PolarHBondContact O-N 3.49Å; E177-L180 VanDerWaalsContact O-N 3.11Å; E177-V181 WeakPolarHBondContact O-CG2 3.4Å; E177-V181 PolarHBondContact O-N 3.17Å; E177-M225 VanDerWaalsContact OE1-SD 3.41Å; E177-K241 VanDerWaalsContact CG-NZ 3.35Å; E177-K241 WeakPolarHBondContact OE1-CE 3.42Å; E177-K241 IonicContact OE1-NZ 3.51Å; E177-K241 PolarHBondContact OE1-NZ 2.6Å; E177-F806 HydrophobicContact CG-CE2 4.03Å; E177-F806 HydrophobicContact CG-CZ 3.73Å
178	G	90.7	Very high	88.6	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-55.7	-39.5	175.4	0	0	0	0	0	112.2	S174 P175 R182	S174-G178 PolarHBondContact O-N 2.94Å; S174-G178 VanDerWaalsContact O-N 3.1Å; P175-G178 PolarHBondContact O-N 3.02Å; G178-R182 WeakPolarHBondContact O-CB 2.93Å; G178-R182 VanDerWaalsContact O-CG 3.26Å; G178-R182 WeakPolarHBondContact O-CG 3.4Å; G178-R182 PolarHBondContact O-N 3.27Å; G178-R182 VanDerWaalsContact O-N 3.11Å; G178-R182 PolarHBondContact O-NE 3.29Å
179	A	90.9	Very high	88.8	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-41.5	175.7	0	0	0	0	0	112.8	M103 P175 D176 E177 R182 A183 I328	M103-A179 HydrophobicContact CB-CB 4.04Å; M103-A179 WeakPolarHBondContact O-CB 3.24Å; P175-A179 PolarHBondContact O-N 3.5Å; D176-A179 WeakPolarHBondContact O-CB 3.42Å; D176-A179 PolarHBondContact O-N 3.49Å; E177-A179 PolarHBondContact O-N 3.11Å; A179-R182 PolarHBondContact O-N 3.43Å; A179-A183 WeakPolarHBondContact O-CB 3.14Å; A179-A183 PolarHBondContact O-N 2.82Å; A179-I328 HydrophobicContact CB-CG2 4.26Å
180	L	92.9	Very high	89.1	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-47.8	176.9	-69	168.7	0	0	0	112	F105 M153 D176 E177 A183 A184 L276 F278 T326 I328	F105-L180 HydrophobicContact CD2-CD2 3.84Å; F105-L180 HydrophobicContact CE2-CD2 3.77Å; M153-L180 HydrophobicContact CE-CB 4.25Å; M153-L180 HydrophobicContact CE-CD2 3.85Å; M153-L180 WeakPolarHBondContact CE-O 3.41Å; D176-L180 WeakPolarHBondContact O-CG 3.38Å; D176-L180 PolarHBondContact O-N 2.93Å; E177-L180 WeakPolarHBondContact O-CB 3.41Å; E177-L180 PolarHBondContact O-N 3.49Å; E177-L180 VanDerWaalsContact O-N 3.11Å; L180-A183 PolarHBondContact O-N 2.7Å; L180-A184 PolarHBondContact O-N 2.96Å; L180-L276 HydrophobicContact CD1-CD1 4.07Å; L180-F278 HydrophobicContact CD1-CZ 4.03Å; L180-F278 HydrophobicContact CD2-CZ 4.09Å; L180-T326 HydrophobicContact CD2-CG2 3.81Å; L180-I328 HydrophobicContact CD1-CD1 4.45Å; L180-I328 HydrophobicContact CD2-CD1 4.01Å; L180-I328 HydrophobicContact CG-CD1 3.91Å
181	V	92.2	Very high	89.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-68.3	-38.3	-178.5	-175.7	0	0	0	0	111.2	H157 A159 Y170 E177 A183 A184 R185 F191	H157-V181 HydrophobicContact CB-CG2 4.36Å; H157-V181 WeakPolarHBondContact CD2-CG2 3.05Å; H157-V181 WeakPolarHBondContact NE2-CG2 3.44Å; A159-V181 HydrophobicContact CB-CG2 4.26Å; Y170-V181 HydrophobicContact CD1-CG1 3.8Å; Y170-V181 HydrophobicContact CD2-CB 4.35Å; Y170-V181 HydrophobicContact CD2-CG1 3.75Å; Y170-V181 HydrophobicContact CE1-CG1 3.79Å; Y170-V181 HydrophobicContact CE2-CG1 3.74Å; Y170-V181 HydrophobicContact CG-CB 4.43Å; Y170-V181 HydrophobicContact CG-CG1 3.79Å; E177-V181 WeakPolarHBondContact O-CG2 3.4Å; E177-V181 PolarHBondContact O-N 3.17Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 3.2Å; V181-A184 PolarHBondContact O-N 3.44Å; V181-R185 PolarHBondContact O-N 3.27Å; V181-F191 HydrophobicContact CG1-CB 4.02Å; V181-F191 HydrophobicContact CG1-CD1 4.06Å
182	R	90.8	Very high	89.3	Confident	112 Å²	112	24.1 Å²	24.1	42%	0.423	14%	0.138	S	C	.	.	H	α-helix	trans	-60.9	-42.2	172.5	-75.9	-174.4	-63.2	-116.3	4.9	111.9	M103 Y170 G178 A179 R185 N186	M103-R182 PolarHBondContact O-NH2 2.95Å; Y170-R182 HydrophobicContact CD2-CG 4.1Å; G178-R182 WeakPolarHBondContact O-CB 2.93Å; G178-R182 VanDerWaalsContact O-CG 3.26Å; G178-R182 WeakPolarHBondContact O-CG 3.4Å; G178-R182 PolarHBondContact O-N 3.27Å; G178-R182 VanDerWaalsContact O-N 3.11Å; G178-R182 PolarHBondContact O-NE 3.29Å; A179-R182 PolarHBondContact O-N 3.43Å; R182-R185 PolarHBondContact O-N 2.88Å; R182-N186 PolarHBondContact O-N 3.32Å; R182-N186 VanDerWaalsContact O-N 3.07Å; R182-N186 PolarHBondContact O-OD1 2.91Å
183	A	90.1	Very high	89.3	Confident	3 Å²	3	22.8 Å²	22.8	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-65	-42.3	176.7	0	0	0	0	0	112.1	F105 M153 A179 L180 V181 R185 N186 L187	F105-A183 HydrophobicContact CB-CB 3.64Å; F105-A183 HydrophobicContact CD1-CB 3.89Å; F105-A183 HydrophobicContact CD2-CB 3.88Å; F105-A183 HydrophobicContact CE1-CB 4.45Å; F105-A183 HydrophobicContact CE2-CB 4.42Å; F105-A183 HydrophobicContact CG-CB 3.54Å; M153-A183 HydrophobicContact CE-CB 4.07Å; A179-A183 WeakPolarHBondContact O-CB 3.14Å; A179-A183 PolarHBondContact O-N 2.82Å; L180-A183 PolarHBondContact O-N 2.7Å; V181-A183 VanDerWaalsContact C-N 3.33Å; V181-A183 PolarHBondContact O-N 3.2Å; A183-R185 PolarHBondContact O-N 3.4Å; A183-N186 PolarHBondContact O-N 2.73Å; A183-L187 PolarHBondContact O-N 3.14Å
184	A	91.1	Very high	89.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-46.3	175.2	0	0	0	0	0	111.8	M150 M153 A154 L180 V181 N186 L187 G188 F189	M150-A184 HydrophobicContact CE-CB 4.38Å; M153-A184 HydrophobicContact CB-CB 4.27Å; A154-A184 HydrophobicContact CB-CB 4.11Å; L180-A184 PolarHBondContact O-N 2.96Å; V181-A184 PolarHBondContact O-N 3.44Å; A184-N186 PolarHBondContact O-N 2.81Å; A184-L187 PolarHBondContact O-N 3.41Å; A184-G188 PolarHBondContact O-N 2.96Å; A184-F189 CarbonylContact C-O 3.46Å; A184-F189 HydrophobicContact CB-CB 4.23Å; A184-F189 WeakPolarHBondContact O-CB 3.34Å; A184-F189 PolarHBondContact O-N 3.26Å
185	R	89.4	Confident	89.6	Confident	85 Å²	85	21.8 Å²	21.8	32%	0.321	12%	0.117	S	C	.	.	H	α-helix	trans	-57.9	-46	175.9	175	-175.3	172.1	-169.3	3.3	112.3	I168 Y170 V181 R182 A183 L187 G188 F189 V190	I168-R185 PolarHBondContact O-NH1 3.4Å; Y170-R185 HydrophobicContact CE2-CB 4.08Å; Y170-R185 HydrophobicContact CE2-CG 4.48Å; V181-R185 PolarHBondContact O-N 3.27Å; R182-R185 PolarHBondContact O-N 2.88Å; A183-R185 PolarHBondContact O-N 3.4Å; R185-L187 PolarHBondContact O-N 3.31Å; R185-G188 PolarHBondContact O-N 3.04Å; R185-F189 WeakPolarHBondContact CA-O 3.49Å; R185-F189 PolarHBondContact N-O 2.68Å; R185-V190 HydrophobicContact CG-CG1 4.32Å; R185-V190 HydrophobicContact CG-CG2 4.21Å
186	N	87.1	Confident	89.5	Confident	79 Å²	79	21.4 Å²	21.4	42%	0.422	11%	0.114	S	C	.	.	H	α-helix	trans	-62.8	-25.8	-178.4	-74.4	5.3	0	0	0	112.7	A125 R182 A183 A184	A125-N186 PolarHBondContact O-ND2 3.45Å; R182-N186 PolarHBondContact O-N 3.32Å; R182-N186 VanDerWaalsContact O-N 3.07Å; R182-N186 PolarHBondContact O-OD1 2.91Å; A183-N186 PolarHBondContact O-N 2.73Å; A184-N186 PolarHBondContact O-N 2.81Å
187	L	86	Confident	89.5	Confident	14 Å²	14	26.3 Å²	26.3	7%	0.073	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.6	177.4	-68	169	0	0	0	113.3	F127 L132 L133 M150 A183 A184 R185	F127-L187 HydrophobicContact CD1-CD1 3.83Å; F127-L187 HydrophobicContact CD1-CG 4.46Å; F127-L187 HydrophobicContact CE1-CD1 3.9Å; L132-L187 HydrophobicContact CD2-CD1 3.61Å; L132-L187 HydrophobicContact CD2-CD2 4.24Å; L133-L187 HydrophobicContact CD1-CD2 3.72Å; L133-L187 HydrophobicContact CG-CD2 4.31Å; M150-L187 HydrophobicContact CE-CB 3.61Å; M150-L187 HydrophobicContact CE-CD1 3.33Å; M150-L187 HydrophobicContact CE-CG 4.11Å; M150-L187 HydrophobicContact SD-CD1 3.93Å; A183-L187 PolarHBondContact O-N 3.14Å; A184-L187 PolarHBondContact O-N 3.41Å; R185-L187 PolarHBondContact O-N 3.31Å
188	G	87.5	Confident	89.5	Confident	32 Å²	32	26.5 Å²	26.5	33%	0.33	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	10.8	175.7	0	0	0	0	0	115.5	A184 R185 P204	A184-G188 PolarHBondContact O-N 2.96Å; R185-G188 PolarHBondContact O-N 3.04Å; G188-P204 WeakPolarHBondContact O-CD 3.44Å
189	F	90.9	Very high	89.5	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.009	14%	0.141	C	C	.	.			trans	-104.7	85.4	173.8	-66	-103.5	0	0	0	109	L136 L147 M150 A154 A184 R185 E202 V203 P204	L136-F189 HydrophobicContact CD2-CE2 3.98Å; L136-F189 HydrophobicContact CD2-CZ 4.08Å; L147-F189 HydrophobicContact CD1-CE1 3.8Å; L147-F189 HydrophobicContact CD1-CZ 3.84Å; M150-F189 HydrophobicContact CB-CD1 3.78Å; M150-F189 HydrophobicContact CB-CD2 3.68Å; M150-F189 HydrophobicContact CB-CE1 3.57Å; M150-F189 HydrophobicContact CB-CE2 3.49Å; M150-F189 VanDerWaalsContact CB-CE2 3.49Å; M150-F189 HydrophobicContact CB-CG 3.82Å; M150-F189 HydrophobicContact CB-CZ 3.43Å; M150-F189 VanDerWaalsContact CB-CZ 3.43Å; M150-F189 HydrophobicContact CE-CD2 3.86Å; M150-F189 HydrophobicContact CE-CE2 4.31Å; M150-F189 HydrophobicContact CE-CG 4.47Å; M150-F189 HydrophobicContact CG-CD2 4.23Å; M150-F189 HydrophobicContact CG-CE2 3.85Å; M150-F189 HydrophobicContact CG-CZ 4.09Å; A154-F189 HydrophobicContact CB-CB 4.29Å; A184-F189 CarbonylContact C-O 3.46Å; A184-F189 HydrophobicContact CB-CB 4.23Å; A184-F189 WeakPolarHBondContact O-CB 3.34Å; A184-F189 PolarHBondContact O-N 3.26Å; R185-F189 WeakPolarHBondContact CA-O 3.49Å; R185-F189 PolarHBondContact N-O 2.68Å; F189-E202 CarbonylContact C-O 3.56Å; F189-E202 WeakPolarHBondContact CA-O 3.49Å; F189-V203 HydrophobicContact CD1-CG1 4.27Å; F189-V203 HydrophobicContact CD1-CG2 4.38Å; F189-V203 HydrophobicContact CE1-CG1 3.88Å; F189-P204 HydrophobicContact CE2-CG 4.2Å; F189-P204 HydrophobicContact CZ-CG 4.35Å
190	V	91.8	Very high	89.5	Confident	27 Å²	27	27.4 Å²	27.4	16%	0.164	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.6	-169.7	-171.4	0	0	0	0	110.1	I168 R185 S192 V201 E202	I168-V190 HydrophobicContact CD1-CG1 3.86Å; R185-V190 HydrophobicContact CG-CG1 4.32Å; R185-V190 HydrophobicContact CG-CG2 4.21Å; V190-S192 PolarHBondContact O-N 3.14Å; V190-S192 VanDerWaalsContact O-N 3.15Å; V190-V201 CarbonylContact O-C 3.49Å; V190-V201 WeakPolarHBondContact O-CA 3.35Å; V190-E202 HydrophobicContact CB-CB 4.09Å; V190-E202 PolarHBondContact N-O 3.02Å; V190-E202 PolarHBondContact O-N 3.13Å
191	F	92.1	Very high	89.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	110	164.8	170.6	-131	0	0	0	108.7	H157 A159 P161 Y170 V181 G193 R194 V199	H157-F191 AromaticContact CE1-CD1 3.53Å; H157-F191 AromaticContact CE1-CE1 3.49Å; H157-F191 VanDerWaalsContact CE1-CE1 3.49Å; H157-F191 WeakPolarHBondContact CE1-CE1 3.37Å; H157-F191 AromaticContact CE1-CG 3.94Å; H157-F191 AromaticContact CE1-CZ 3.88Å; H157-F191 AromaticContact NE2-CD1 4Å; A159-F191 WeakPolarHBondContact O-CE1 3.45Å; P161-F191 HydrophobicContact CB-CD1 4.19Å; P161-F191 HydrophobicContact CB-CE1 3.93Å; P161-F191 HydrophobicContact CB-CZ 4.47Å; P161-F191 VanDerWaalsContact CD-CZ 3.44Å; P161-F191 HydrophobicContact CG-CD1 4.21Å; P161-F191 HydrophobicContact CG-CE1 3.59Å; P161-F191 HydrophobicContact CG-CE2 4.26Å; P161-F191 HydrophobicContact CG-CZ 3.64Å; Y170-F191 AromaticContact CD1-CD1 3.74Å; Y170-F191 HydrophobicContact CD1-CD1 3.74Å; Y170-F191 HydrophobicContact CD1-CE1 4.32Å; Y170-F191 HydrophobicContact CE1-CB 3.97Å; Y170-F191 AromaticContact CE1-CD1 3.46Å; Y170-F191 HydrophobicContact CE1-CD1 3.46Å; Y170-F191 VanDerWaalsContact CE1-CD1 3.46Å; Y170-F191 HydrophobicContact CE1-CE1 4.35Å; Y170-F191 HydrophobicContact CE1-CG 4.11Å; Y170-F191 VanDerWaalsContact CE1-O 3.23Å; Y170-F191 WeakPolarHBondContact CE1-O 3.43Å; Y170-F191 PolarHBondContact OH-O 3.44Å; V181-F191 HydrophobicContact CG1-CB 4.02Å; V181-F191 HydrophobicContact CG1-CD1 4.06Å; F191-G193 WeakPolarHBondContact CE2-O 3.39Å; F191-R194 HydrophobicContact CE2-CB 4.14Å; F191-R194 HydrophobicContact CZ-CB 3.94Å; F191-V199 HydrophobicContact CD2-CG1 3.84Å; F191-V199 HydrophobicContact CE2-CG1 3.74Å
192	S	88.6	Confident	89.4	Confident	16 Å²	16	31.7 Å²	31.7	11%	0.112	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-40.4	-166.9	-177.8	0	0	0	0	112.8	R163 V190 I200	R163-S192 PolarHBondContact NH2-OG 3.2Å; V190-S192 PolarHBondContact O-N 3.14Å; V190-S192 VanDerWaalsContact O-N 3.15Å; S192-I200 PolarHBondContact N-O 3.15Å
193	G	87.5	Confident	89.1	Confident	4 Å²	4	27.1 Å²	27.1	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	157.8	-175.7	0	0	0	0	0	112.8	F191 I200	F191-G193 WeakPolarHBondContact CE2-O 3.39Å; G193-I200 PolarHBondContact N-O 2.77Å; G193-I200 WeakPolarHBondContact O-CB 3.32Å; G193-I200 PolarHBondContact O-N 2.65Å
194	R	87.5	Confident	88.6	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.7	177.3	-168.4	169.8	-162.2	147.3	7.1	110.2	H157 F191 V199 I820 T825	H157-R194 PolarHBondContact O-NH1 3.46Å; F191-R194 HydrophobicContact CE2-CB 4.14Å; F191-R194 HydrophobicContact CZ-CB 3.94Å; R194-V199 HydrophobicContact CG-CG2 4.39Å; R194-I820 VanDerWaalsContact CZ-CG2 3.46Å; R194-T825 PolarHBondContact N-OG1 2.74Å; R194-T825 PolarHBondContact O-N 2.73Å; R194-T825 PolarHBondContact O-OG1 2.72Å
195	T	88.1	Confident	87.7	Confident	22 Å²	22	34.8 Å²	34.8	14%	0.135	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	168	164.9	74.9	0	0	0	0	108.5	D197 S198 T826	T195-D197 PolarHBondContact O-N 2.73Å; T195-D197 VanDerWaalsContact O-N 3.14Å; T195-S198 PolarHBondContact N-O 3.33Å; T195-S198 PolarHBondContact O-N 2.9Å; T195-S198 PolarHBondContact OG1-N 3.07Å; T195-S198 VanDerWaalsContact OG1-N 3.08Å; T195-S198 PolarHBondContact OG1-OG 2.95Å; T195-T826 HydrophobicContact CG2-CG2 3.83Å
196	P	85.4	Confident	87.6	Confident	39 Å²	39	36.5 Å²	36.5	25%	0.253	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.4	178.7	-31.1	37.9	0	0	0	113.9	R821	P196-R821 WeakPolarHBondContact CB-O 3.46Å; P196-R821 WeakPolarHBondContact CG-O 3.27Å
197	D	87.9	Confident	87.7	Confident	104 Å²	104	38.8 Å²	38.8	56%	0.556	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	4.5	-176.2	-51.5	-49.9	0	0	0	114.2	T195 E211 L212	T195-D197 PolarHBondContact O-N 2.73Å; T195-D197 VanDerWaalsContact O-N 3.14Å; D197-E211 CarbonylContact O-C 3.59Å; D197-E211 WeakPolarHBondContact O-CA 3.31Å; D197-L212 PolarHBondContact O-N 2.92Å
198	S	90.1	Very high	88	Confident	4 Å²	4	40 Å²	40	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	153.2	-177.9	73.2	0	0	0	0	115.3	T195 K209 Y210	T195-S198 PolarHBondContact N-O 3.33Å; T195-S198 PolarHBondContact O-N 2.9Å; T195-S198 PolarHBondContact OG1-N 3.07Å; T195-S198 VanDerWaalsContact OG1-N 3.08Å; T195-S198 PolarHBondContact OG1-OG 2.95Å; S198-K209 VanDerWaalsContact CB-CE 3.47Å; S198-K209 WeakPolarHBondContact OG-CE 3.49Å; S198-Y210 CarbonylContact C-O 3.5Å; S198-Y210 WeakPolarHBondContact CA-O 3.45Å; S198-Y210 VanDerWaalsContact CB-O 3.24Å; S198-Y210 WeakPolarHBondContact CB-O 3.38Å
199	V	91.6	Very high	88.2	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.7	175.3	173.6	0	0	0	0	108.1	I155 F191 R194 V201 Y210 M229	I155-V199 HydrophobicContact CB-CG1 4.38Å; I155-V199 HydrophobicContact CG2-CG1 3.96Å; F191-V199 HydrophobicContact CD2-CG1 3.84Å; F191-V199 HydrophobicContact CE2-CG1 3.74Å; R194-V199 HydrophobicContact CG-CG2 4.39Å; V199-V201 HydrophobicContact CG1-CG2 3.88Å; V199-Y210 PolarHBondContact N-O 3.25Å; V199-Y210 PolarHBondContact O-N 3.3Å; V199-M229 HydrophobicContact CB-CE 4.33Å; V199-M229 HydrophobicContact CG2-CE 4.49Å
200	I	91.6	Very high	88.3	Confident	22 Å²	22	45.8 Å²	45.8	11%	0.113	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.2	-179.6	-53.9	172.1	0	0	0	108.1	S192 G193 E207 T826	S192-I200 PolarHBondContact N-O 3.15Å; G193-I200 PolarHBondContact N-O 2.77Å; G193-I200 WeakPolarHBondContact O-CB 3.32Å; G193-I200 PolarHBondContact O-N 2.65Å; I200-E207 HydrophobicContact CG2-CG 3.62Å; I200-E207 VanDerWaalsContact CG2-OE1 3.24Å; I200-E207 WeakPolarHBondContact CG2-OE1 3.48Å; I200-T826 HydrophobicContact CD1-CG2 3.9Å
201	V	91.8	Very high	88.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.3	178.5	-173.3	0	0	0	0	109.6	A154 I155 V190 V199 V203 E208	A154-V201 HydrophobicContact CB-CG1 3.95Å; A154-V201 HydrophobicContact CB-CG2 4.43Å; I155-V201 HydrophobicContact CG2-CG2 3.41Å; I155-V201 VanDerWaalsContact CG2-CG2 3.41Å; V190-V201 CarbonylContact O-C 3.49Å; V190-V201 WeakPolarHBondContact O-CA 3.35Å; V199-V201 HydrophobicContact CG1-CG2 3.88Å; V201-V203 HydrophobicContact CG1-CG2 4.17Å; V201-E208 PolarHBondContact N-O 2.66Å; V201-E208 PolarHBondContact O-N 3.13Å
202	E	90.3	Very high	88.5	Confident	96 Å²	96	49.1 Å²	49.1	45%	0.449	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	105.1	166.9	-163.8	179.7	171.6	0	0	107.9	F189 V190	F189-E202 CarbonylContact C-O 3.56Å; F189-E202 WeakPolarHBondContact CA-O 3.49Å; V190-E202 HydrophobicContact CB-CB 4.09Å; V190-E202 PolarHBondContact N-O 3.02Å; V190-E202 PolarHBondContact O-N 3.13Å
203	V	85.1	Confident	88.7	Confident	16 Å²	16	49.3 Å²	49.3	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	150.8	171.4	-179.2	0	0	0	0	106.5	L147 F189 V201 G205 K206	L147-V203 HydrophobicContact CD1-CG1 3.86Å; F189-V203 HydrophobicContact CD1-CG1 4.27Å; F189-V203 HydrophobicContact CD1-CG2 4.38Å; F189-V203 HydrophobicContact CE1-CG1 3.88Å; V201-V203 HydrophobicContact CG1-CG2 4.17Å; V203-G205 PolarHBondContact O-N 3.29Å; V203-K206 PolarHBondContact N-O 2.91Å; V203-K206 CarbonylContact O-C 3.56Å; V203-K206 PolarHBondContact O-N 3.18Å
204	P	80.3	Confident	88.9	Confident	77 Å²	77	50.5 Å²	50.5	50%	0.5	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47	109	-174.5	-32.9	37.1	0	0	0	113.8	G188 F189	G188-P204 WeakPolarHBondContact O-CD 3.44Å; F189-P204 HydrophobicContact CE2-CG 4.2Å; F189-P204 HydrophobicContact CZ-CG 4.35Å
205	G	72.1	Confident	89.1	Confident	87 Å²	87	51.1 Å²	51.1	90%	0.897	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	1.4	178.6	0	0	0	0	0	116.9	V203	V203-G205 PolarHBondContact O-N 3.29Å
206	K	86.9	Confident	89.3	Confident	121 Å²	121	50.1 Å²	50.1	53%	0.526	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	134.2	179.7	-169	-177.6	170.1	-153.9	0	113.7	V203 E208	V203-K206 PolarHBondContact N-O 2.91Å; V203-K206 CarbonylContact O-C 3.56Å; V203-K206 PolarHBondContact O-N 3.18Å; K206-E208 HydrophobicContact CD-CG 4.25Å; K206-E208 HydrophobicContact CG-CG 4.32Å; K206-E208 IonicContact NZ-OE1 3.82Å; K206-E208 PolarHBondContact NZ-OE1 2.93Å; K206-E208 VanDerWaalsContact NZ-OE1 3.08Å
207	E	89.5	Confident	89.4	Confident	127 Å²	127	50.5 Å²	50.5	59%	0.593	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.8	167.4	-168.2	178	128.7	0	0	110.5	I200	I200-E207 HydrophobicContact CG2-CG 3.62Å; I200-E207 VanDerWaalsContact CG2-OE1 3.24Å; I200-E207 WeakPolarHBondContact CG2-OE1 3.48Å
208	E	91.4	Very high	89.4	Confident	40 Å²	40	46 Å²	46	19%	0.187	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.5	178.9	-64.5	-156.5	147.4	0	0	111.3	V201 K206 Y210 P232	V201-E208 PolarHBondContact N-O 2.66Å; V201-E208 PolarHBondContact O-N 3.13Å; K206-E208 HydrophobicContact CD-CG 4.25Å; K206-E208 HydrophobicContact CG-CG 4.32Å; K206-E208 IonicContact NZ-OE1 3.82Å; K206-E208 PolarHBondContact NZ-OE1 2.93Å; K206-E208 VanDerWaalsContact NZ-OE1 3.08Å; E208-Y210 HydrophobicContact CB-CD2 4.34Å; E208-Y210 HydrophobicContact CB-CE2 3.72Å; E208-Y210 PolarHBondContact OE2-OH 2.99Å; E208-P232 HydrophobicContact CB-CG 4Å; E208-P232 HydrophobicContact CG-CG 4.36Å
209	K	92.3	Very high	89.1	Confident	138 Å²	138	47.7 Å²	47.7	60%	0.6	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.7	177.4	-171.9	179.1	-176.2	-178.5	0	109.6	S198	S198-K209 VanDerWaalsContact CB-CE 3.47Å; S198-K209 WeakPolarHBondContact OG-CE 3.49Å
210	Y	93.4	Very high	88.5	Confident	16 Å²	16	49.9 Å²	49.9	6%	0.063	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	174.8	-71.7	-102	0	0	0	109.2	T151 I155 S198 V199 E208 M229 T231 P232	T151-Y210 HydrophobicContact CG2-CE1 4.44Å; T151-Y210 HydrophobicContact CG2-CE2 4.34Å; I155-Y210 HydrophobicContact CD1-CD1 4.37Å; S198-Y210 CarbonylContact C-O 3.5Å; S198-Y210 WeakPolarHBondContact CA-O 3.45Å; S198-Y210 VanDerWaalsContact CB-O 3.24Å; S198-Y210 WeakPolarHBondContact CB-O 3.38Å; V199-Y210 PolarHBondContact N-O 3.25Å; V199-Y210 PolarHBondContact O-N 3.3Å; E208-Y210 HydrophobicContact CB-CD2 4.34Å; E208-Y210 HydrophobicContact CB-CE2 3.72Å; E208-Y210 PolarHBondContact OE2-OH 2.99Å; Y210-M229 HydrophobicContact CD1-CE 4.33Å; Y210-M229 HydrophobicContact CG-CE 4.13Å; Y210-T231 HydrophobicContact CD1-CG2 4.45Å; Y210-T231 HydrophobicContact CE1-CG2 4.04Å; Y210-P232 HydrophobicContact CE2-CG 4.35Å
211	E	94.2	Very high	87.9	Confident	88 Å²	88	54.5 Å²	54.5	41%	0.411	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	121.9	175.2	-178.7	-171	-171.9	0	0	108.9	D197 L213 M229 R230	D197-E211 CarbonylContact O-C 3.59Å; D197-E211 WeakPolarHBondContact O-CA 3.31Å; E211-L213 HydrophobicContact CG-CD2 4.16Å; E211-M229 CarbonylContact O-C 3.43Å; E211-M229 VanDerWaalsContact O-CA 3.27Å; E211-M229 WeakPolarHBondContact O-CA 3.4Å; E211-R230 HydrophobicContact CB-CB 4.09Å; E211-R230 PolarHBondContact N-O 3Å; E211-R230 VanDerWaalsContact N-O 3.09Å; E211-R230 PolarHBondContact O-N 2.94Å; E211-R230 WeakPolarHBondContact OE2-CD 3.42Å; E211-R230 IonicContact OE2-NE 3.69Å; E211-R230 PolarHBondContact OE2-NE 3.31Å
212	L	92.7	Very high	87.7	Confident	9 Å²	9	54.7 Å²	54.7	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	111.2	-179	177.3	64.6	0	0	0	109.5	D197 V215 V227 M229 I820	D197-L212 PolarHBondContact O-N 2.92Å; L212-V215 HydrophobicContact CD1-CG2 3.76Å; L212-V215 HydrophobicContact CD2-CG2 3.95Å; L212-V215 HydrophobicContact CG-CG2 4.27Å; L212-V227 HydrophobicContact CD1-CB 4.34Å; L212-M229 HydrophobicContact CB-SD 4.05Å; L212-M229 HydrophobicContact CD1-CG 4.41Å; L212-M229 HydrophobicContact CD1-SD 3.57Å; L212-M229 VanDerWaalsContact CD1-SD 3.57Å; L212-M229 HydrophobicContact CG-SD 4.44Å; L212-I820 HydrophobicContact CD2-CD1 3.94Å
213	L	92.8	Very high	87.6	Confident	21 Å²	21	53.1 Å²	53.1	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-58.7	-179.4	-58.9	-179.6	0	0	0	110.9	E211 I228 R230 I236 Y288 R821	E211-L213 HydrophobicContact CG-CD2 4.16Å; L213-I228 HydrophobicContact CB-CB 4.47Å; L213-I228 HydrophobicContact CB-CG2 4.35Å; L213-I228 WeakPolarHBondContact CB-O 3.19Å; L213-I228 HydrophobicContact CD1-CG2 4.19Å; L213-I228 PolarHBondContact N-O 2.67Å; L213-R230 HydrophobicContact CD1-CB 4.45Å; L213-I236 HydrophobicContact CD1-CD1 4.08Å; L213-I236 HydrophobicContact CD1-CG1 4.21Å; L213-I236 HydrophobicContact CD1-CG2 4.08Å; L213-Y288 HydrophobicContact CB-CE2 4.31Å; L213-Y288 WeakPolarHBondContact CB-OH 3.4Å; L213-Y288 HydrophobicContact CD1-CD1 4.48Å; L213-Y288 HydrophobicContact CD1-CE1 3.97Å; L213-Y288 HydrophobicContact CD1-CE2 4.08Å; L213-R821 PolarHBondContact O-NH2 3.27Å
214	H	91.9	Very high	88	Confident	29 Å²	29	52.5 Å²	52.5	13%	0.134	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.3	-178.9	-77.9	71.2	0	0	0	111.6	I228 Y288 W291 H295	H214-I228 HydrophobicContact CB-CB 4.45Å; H214-I228 HydrophobicContact CB-CD1 4.3Å; H214-I228 PolarHBondContact N-O 2.72Å; H214-I228 PolarHBondContact O-N 3.24Å; H214-Y288 PolarHBondContact CE1-OH 3.37Å; H214-Y288 PolarHBondContact ND1-OH 3.23Å; H214-W291 HydrophobicContact CB-CH2 4.1Å; H214-W291 HydrophobicContact CB-CZ3 4.27Å; H214-W291 AromaticContact CD2-CH2 3.92Å; H214-W291 AromaticContact CG-CH2 3.94Å; H214-W291 AromaticContact CG-CZ3 3.86Å; H214-H295 AromaticContact CD2-CD2 3.65Å; H214-H295 AromaticContact CD2-NE2 3.86Å; H214-H295 AromaticContact NE2-CD2 3.69Å
215	V	91.3	Very high	88.6	Confident	17 Å²	17	49 Å²	49	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.2	168.3	177.4	0	0	0	0	108.3	L212 M225 V227 I820	L212-V215 HydrophobicContact CD1-CG2 3.76Å; L212-V215 HydrophobicContact CD2-CG2 3.95Å; L212-V215 HydrophobicContact CG-CG2 4.27Å; V215-M225 HydrophobicContact CG1-CE 4.22Å; V215-V227 HydrophobicContact CG1-CG1 4.42Å; V215-V227 HydrophobicContact CG2-CG1 4.09Å; V215-I820 HydrophobicContact CB-CD1 4.07Å; V215-I820 HydrophobicContact CG1-CD1 4.47Å; V215-I820 HydrophobicContact CG2-CD1 3.36Å
216	L	92.2	Very high	89.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	103.8	172	-47.3	-167.9	0	0	0	107	M225 S226 W291 Y313 I316 E317	L216-M225 WeakPolarHBondContact O-CG 3.08Å; L216-S226 PolarHBondContact N-O 2.79Å; L216-S226 PolarHBondContact O-N 2.74Å; L216-W291 HydrophobicContact CD2-CH2 3.95Å; L216-W291 HydrophobicContact CD2-CZ2 3.98Å; L216-Y313 HydrophobicContact CB-CD1 4.46Å; L216-Y313 HydrophobicContact CD1-CD1 3.84Å; L216-Y313 HydrophobicContact CD1-CG 4.24Å; L216-Y313 HydrophobicContact CD2-CD1 3.62Å; L216-Y313 HydrophobicContact CD2-CE1 3.47Å; L216-Y313 VanDerWaalsContact CD2-CE1 3.47Å; L216-Y313 HydrophobicContact CG-CD1 4.18Å; L216-Y313 HydrophobicContact CG-CE1 4.38Å; L216-I316 HydrophobicContact CD1-CG2 3.97Å; L216-E317 HydrophobicContact CD1-CG 4.18Å
217	E	87.6	Confident	90.1	Very high	48 Å²	48	39.1 Å²	39.1	22%	0.224	20%	0.197	C	C	.	.			trans	-64.7	153.1	-170.3	-61.1	-173	164	0	0	113.1	R222 S815 Q816 S817	E217-R222 PolarHBondContact O-NH1 3.41Å; E217-S815 WeakPolarHBondContact OE1-CB 3.49Å; E217-S815 PolarHBondContact OE1-OG 2.84Å; E217-Q816 PolarHBondContact OE1-N 2.81Å; E217-S817 WeakPolarHBondContact OE1-CA 3.46Å; E217-S817 WeakPolarHBondContact OE1-CB 3.27Å; E217-S817 PolarHBondContact OE1-N 2.71Å; E217-S817 PolarHBondContact OE1-OG 3.49Å
218	F	88.6	Confident	90.4	Very high	10 Å²	10	33 Å²	33	4%	0.044	17%	0.168	C	C	.	.			trans	-68.2	138.7	168	-177.3	-96.8	0	0	0	110.9	R224 M225 Y804 F806 Q808 E810	F218-R224 WeakPolarHBondContact CA-O 3.47Å; F218-M225 HydrophobicContact CB-CB 4.22Å; F218-Y804 VanDerWaalsContact CE2-OH 3.25Å; F218-Y804 WeakPolarHBondContact CE2-OH 3.26Å; F218-Y804 WeakPolarHBondContact CZ-OH 3.26Å; F218-F806 HydrophobicContact CB-CE1 4.45Å; F218-F806 HydrophobicContact CD1-CD1 4.12Å; F218-F806 HydrophobicContact CD1-CE1 4.24Å; F218-F806 AromaticContact CD2-CD1 3.71Å; F218-F806 HydrophobicContact CD2-CD1 3.71Å; F218-F806 AromaticContact CD2-CE1 3.84Å; F218-F806 HydrophobicContact CD2-CE1 3.84Å; F218-F806 AromaticContact CE1-CD1 3.93Å; F218-F806 HydrophobicContact CE1-CD1 3.93Å; F218-F806 HydrophobicContact CE2-CB 4.48Å; F218-F806 AromaticContact CE2-CD1 3.5Å; F218-F806 HydrophobicContact CE2-CD1 3.5Å; F218-F806 HydrophobicContact CE2-CE1 4.13Å; F218-F806 HydrophobicContact CE2-CG 4.36Å; F218-F806 HydrophobicContact CG-CD1 4.02Å; F218-F806 AromaticContact CG-CE1 3.9Å; F218-F806 HydrophobicContact CG-CE1 3.9Å; F218-F806 HydrophobicContact CZ-CB 4.4Å; F218-F806 AromaticContact CZ-CD1 3.63Å; F218-F806 HydrophobicContact CZ-CD1 3.63Å; F218-F806 HydrophobicContact CZ-CE1 4.46Å; F218-F806 HydrophobicContact CZ-CG 4.49Å; F218-Q808 HydrophobicContact CD1-CB 3.95Å; F218-Q808 HydrophobicContact CE1-CB 4.5Å; F218-E810 HydrophobicContact CD1-CG 4.35Å; F218-E810 WeakPolarHBondContact CE1-OE1 3.42Å
219	T	83.7	Confident	90.5	Very high	39 Å²	39	31.1 Å²	31.1	24%	0.239	16%	0.159	C	C	.	.			trans	-137.4	153.6	164.5	69.3	0	0	0	0	109.5	T221 R222 K223	T219-T221 PolarHBondContact O-N 2.84Å; T219-T221 PolarHBondContact OG1-OG1 3.45Å; T219-R222 PolarHBondContact O-N 2.78Å; T219-R222 VanDerWaalsContact O-N 3.16Å; T219-R222 WeakPolarHBondContact OG1-CB 3.34Å; T219-R222 WeakPolarHBondContact OG1-CD 3.42Å; T219-R222 WeakPolarHBondContact OG1-CG 3.3Å; T219-R222 PolarHBondContact OG1-N 2.89Å; T219-K223 PolarHBondContact O-N 2.78Å
220	S	78.1	Confident	90.6	Very high	46 Å²	46	27.1 Å²	27.1	32%	0.322	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.4	177.1	44.6	0	0	0	0	113.6	K223 E810	S220-K223 WeakPolarHBondContact O-CG 3.24Å; S220-E810 VanDerWaalsContact CB-OE1 3.29Å; S220-E810 WeakPolarHBondContact CB-OE1 3.34Å; S220-E810 WeakPolarHBondContact CB-OE2 3.46Å; S220-E810 PolarHBondContact N-OE1 3.08Å; S220-E810 PolarHBondContact N-OE2 3.23Å; S220-E810 PolarHBondContact OG-OE2 2.77Å
221	T	80.4	Confident	90.5	Very high	119 Å²	119	26.9 Å²	26.9	73%	0.73	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-41.9	175.5	51.9	0	0	0	0	111.8	T219	T219-T221 PolarHBondContact O-N 2.84Å; T219-T221 PolarHBondContact OG1-OG1 3.45Å
222	R	87	Confident	90.2	Very high	4 Å²	4	26 Å²	26	2%	0.015	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-28.7	-176.7	-63.5	176.2	80.3	-138.4	-11.1	114	E217 T219 R224 E310 E317	E217-R222 PolarHBondContact O-NH1 3.41Å; T219-R222 PolarHBondContact O-N 2.78Å; T219-R222 VanDerWaalsContact O-N 3.16Å; T219-R222 WeakPolarHBondContact OG1-CB 3.34Å; T219-R222 WeakPolarHBondContact OG1-CD 3.42Å; T219-R222 WeakPolarHBondContact OG1-CG 3.3Å; T219-R222 PolarHBondContact OG1-N 2.89Å; R222-R224 HydrophobicContact CB-CG 4.33Å; R222-R224 PolarHBondContact O-N 3.37Å; R222-R224 VanDerWaalsContact O-N 3.13Å; R222-R224 PolarHBondContact O-NH1 3.07Å; R222-E310 WeakPolarHBondContact CD-OE2 3.47Å; R222-E310 VanDerWaalsContact CG-OE1 3.28Å; R222-E310 WeakPolarHBondContact CG-OE1 3.34Å; R222-E310 WeakPolarHBondContact CG-OE2 3.41Å; R222-E310 IonicContact NE-OE1 2.69Å; R222-E310 PolarHBondContact NE-OE1 3.45Å; R222-E310 VanDerWaalsContact NE-OE1 3.12Å; R222-E310 IonicContact NE-OE2 2.98Å; R222-E310 PolarHBondContact NE-OE2 3.4Å; R222-E317 IonicContact CZ-OE1 2.72Å; R222-E317 IonicContact CZ-OE2 3.49Å; R222-E317 IonicContact NH2-OE1 2.68Å; R222-E317 PolarHBondContact NH2-OE1 3.25Å; R222-E317 IonicContact NH2-OE2 2.69Å; R222-E317 PolarHBondContact NH2-OE2 3Å
223	K	89	Confident	89.9	Confident	63 Å²	63	29.9 Å²	29.9	27%	0.274	17%	0.17	S	C	.	.			trans	53.9	26.1	-177.5	-56.5	-173.8	177.3	-166.3	0	114.6	T219 S220 G242 A243 V246 E359 Y804	T219-K223 PolarHBondContact O-N 2.78Å; S220-K223 WeakPolarHBondContact O-CG 3.24Å; K223-G242 CarbonylContact O-C 3.17Å; K223-G242 VanDerWaalsContact O-CA 3.31Å; K223-G242 WeakPolarHBondContact O-CA 3.38Å; K223-A243 HydrophobicContact CB-CB 4.06Å; K223-A243 PolarHBondContact O-N 3.49Å; K223-V246 HydrophobicContact CB-CG1 4.02Å; K223-V246 HydrophobicContact CB-CG2 4.26Å; K223-E359 IonicContact NZ-OE1 3.29Å; K223-E359 PolarHBondContact NZ-OE1 3.4Å; K223-Y804 HydrophobicContact CB-CE1 4.03Å; K223-Y804 HydrophobicContact CD-CE1 3.98Å; K223-Y804 HydrophobicContact CG-CE1 4.21Å; K223-Y804 PolarHBondContact O-OH 3.36Å
224	R	92.6	Very high	89.6	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.9	179.9	69.1	-166.8	-176.6	-91.6	3.8	111.7	F218 R222 K241 V246 E310 E314 E317	F218-R224 WeakPolarHBondContact CA-O 3.47Å; R222-R224 HydrophobicContact CB-CG 4.33Å; R222-R224 PolarHBondContact O-N 3.37Å; R222-R224 VanDerWaalsContact O-N 3.13Å; R222-R224 PolarHBondContact O-NH1 3.07Å; R224-K241 CarbonylContact C-O 3.55Å; R224-K241 VanDerWaalsContact CA-O 3.27Å; R224-K241 WeakPolarHBondContact CA-O 3.47Å; R224-K241 WeakPolarHBondContact CB-O 3.41Å; R224-V246 HydrophobicContact CB-CG2 3.99Å; R224-V246 HydrophobicContact CG-CG2 4.48Å; R224-E310 IonicContact NH2-OE1 3.95Å; R224-E314 IonicContact CZ-OE2 2.97Å; R224-E314 IonicContact NH2-OE2 3.6Å; R224-E314 PolarHBondContact NH2-OE2 3.15Å; R224-E317 IonicContact CZ-OE2 2.66Å; R224-E317 IonicContact NE-OE1 3.88Å; R224-E317 IonicContact NE-OE2 3.12Å; R224-E317 PolarHBondContact NE-OE2 2.83Å; R224-E317 IonicContact NH2-OE2 3.08Å; R224-E317 PolarHBondContact NH2-OE2 2.99Å
225	M	93.6	Very high	89.7	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.3	175.7	-176.4	-158.5	-144.8	0	0	108.4	T158 E177 V215 L216 F218 C240 K241	T158-M225 HydrophobicContact CG2-CE 3.32Å; E177-M225 VanDerWaalsContact OE1-SD 3.41Å; V215-M225 HydrophobicContact CG1-CE 4.22Å; L216-M225 WeakPolarHBondContact O-CG 3.08Å; F218-M225 HydrophobicContact CB-CB 4.22Å; M225-C240 WeakPolarHBondContact O-CA 3.42Å; M225-K241 HydrophobicContact CB-CG 4.26Å; M225-K241 PolarHBondContact N-O 2.78Å; M225-K241 PolarHBondContact O-N 2.65Å; M225-K241 WeakPolarHBondContact SD-CE 3.23Å
226	S	95.3	Very high	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.1	176.4	-51.6	0	0	0	0	112.1	L216 Y239 C240 E317	L216-S226 PolarHBondContact N-O 2.79Å; L216-S226 PolarHBondContact O-N 2.74Å; S226-Y239 CarbonylContact C-O 3.6Å; S226-Y239 WeakPolarHBondContact CA-O 3.42Å; S226-Y239 WeakPolarHBondContact CB-O 3.26Å; S226-C240 WeakPolarHBondContact OG-CB 3.4Å; S226-C240 PolarHBondContact OG-SG 2.93Å; S226-E317 WeakPolarHBondContact CB-OE1 3.41Å; S226-E317 PolarHBondContact OG-OE1 3.06Å
227	V	94.5	Very high	90	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.1	169.3	-58.3	0	0	0	0	109.6	C156 L212 V215 M229 L238 Y239	C156-V227 HydrophobicContact CB-CG2 3.9Å; L212-V227 HydrophobicContact CD1-CB 4.34Å; V215-V227 HydrophobicContact CG1-CG1 4.42Å; V215-V227 HydrophobicContact CG2-CG1 4.09Å; V227-M229 HydrophobicContact CB-CG 4.29Å; V227-M229 HydrophobicContact CG2-CG 3.92Å; V227-L238 WeakPolarHBondContact O-CA 3.49Å; V227-Y239 HydrophobicContact CG2-CD2 4.14Å; V227-Y239 HydrophobicContact CG2-CG 4.49Å; V227-Y239 PolarHBondContact N-O 2.86Å; V227-Y239 PolarHBondContact O-N 2.79Å
228	I	95.1	Very high	90.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.1	175.7	-53.2	176.2	0	0	0	107.5	L213 H214 I236 R237 L238 Y288 W291 I316	L213-I228 HydrophobicContact CB-CB 4.47Å; L213-I228 HydrophobicContact CB-CG2 4.35Å; L213-I228 WeakPolarHBondContact CB-O 3.19Å; L213-I228 HydrophobicContact CD1-CG2 4.19Å; L213-I228 PolarHBondContact N-O 2.67Å; H214-I228 HydrophobicContact CB-CB 4.45Å; H214-I228 HydrophobicContact CB-CD1 4.3Å; H214-I228 PolarHBondContact N-O 2.72Å; H214-I228 PolarHBondContact O-N 3.24Å; I228-I236 HydrophobicContact CG2-CG2 3.63Å; I228-R237 WeakPolarHBondContact CA-O 3.48Å; I228-L238 HydrophobicContact CD1-CD1 4.4Å; I228-L238 HydrophobicContact CG1-CB 4.45Å; I228-L238 HydrophobicContact CG1-CD1 4.15Å; I228-L238 HydrophobicContact CG1-CG 4.35Å; I228-Y288 HydrophobicContact CD1-CE2 4.4Å; I228-Y288 HydrophobicContact CG2-CD2 4.05Å; I228-Y288 HydrophobicContact CG2-CE2 3.91Å; I228-W291 HydrophobicContact CD1-CE3 4.26Å; I228-W291 HydrophobicContact CD1-CH2 3.76Å; I228-W291 HydrophobicContact CD1-CZ2 4.32Å; I228-W291 HydrophobicContact CD1-CZ3 3.72Å; I228-I316 HydrophobicContact CD1-CD1 3.57Å; I228-I316 HydrophobicContact CD1-CG1 4.47Å
229	M	93.8	Very high	90.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.9	-167.1	-61.4	-95.5	-93.3	0	0	110.1	I155 V199 Y210 E211 L212 V227 I236 R237 Y239	I155-M229 HydrophobicContact CB-CE 3.44Å; I155-M229 VanDerWaalsContact CB-CE 3.44Å; I155-M229 HydrophobicContact CD1-CE 3.64Å; I155-M229 HydrophobicContact CG1-CE 3.75Å; I155-M229 HydrophobicContact CG2-CE 3.98Å; V199-M229 HydrophobicContact CB-CE 4.33Å; V199-M229 HydrophobicContact CG2-CE 4.49Å; Y210-M229 HydrophobicContact CD1-CE 4.33Å; Y210-M229 HydrophobicContact CG-CE 4.13Å; E211-M229 CarbonylContact O-C 3.43Å; E211-M229 VanDerWaalsContact O-CA 3.27Å; E211-M229 WeakPolarHBondContact O-CA 3.4Å; L212-M229 HydrophobicContact CB-SD 4.05Å; L212-M229 HydrophobicContact CD1-CG 4.41Å; L212-M229 HydrophobicContact CD1-SD 3.57Å; L212-M229 VanDerWaalsContact CD1-SD 3.57Å; L212-M229 HydrophobicContact CG-SD 4.44Å; V227-M229 HydrophobicContact CB-CG 4.29Å; V227-M229 HydrophobicContact CG2-CG 3.92Å; M229-I236 WeakPolarHBondContact O-CA 3.4Å; M229-R237 PolarHBondContact N-O 3.14Å; M229-R237 PolarHBondContact O-N 3.26Å; M229-Y239 HydrophobicContact CB-CD2 4.43Å; M229-Y239 HydrophobicContact CB-CE2 4.23Å; M229-Y239 HydrophobicContact CG-CD2 4.2Å; M229-Y239 HydrophobicContact CG-CE2 4.4Å
230	R	94.4	Very high	91.3	Very high	54 Å²	54	32.6 Å²	32.6	20%	0.204	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.1	165.2	-166.7	-176.9	-61.9	-78.9	2.3	108.7	E211 L213 G234 E285	E211-R230 HydrophobicContact CB-CB 4.09Å; E211-R230 PolarHBondContact N-O 3Å; E211-R230 VanDerWaalsContact N-O 3.09Å; E211-R230 PolarHBondContact O-N 2.94Å; E211-R230 WeakPolarHBondContact OE2-CD 3.42Å; E211-R230 IonicContact OE2-NE 3.69Å; E211-R230 PolarHBondContact OE2-NE 3.31Å; L213-R230 HydrophobicContact CD1-CB 4.45Å; R230-G234 PolarHBondContact NH1-O 2.99Å; R230-E285 IonicContact CZ-OE1 3.12Å; R230-E285 IonicContact CZ-OE2 2.74Å; R230-E285 IonicContact NH1-OE1 3.7Å; R230-E285 IonicContact NH1-OE2 3.5Å; R230-E285 PolarHBondContact NH1-OE2 3.3Å; R230-E285 IonicContact NH2-OE1 2.67Å; R230-E285 PolarHBondContact NH2-OE1 2.88Å; R230-E285 IonicContact NH2-OE2 3.22Å; R230-E285 PolarHBondContact NH2-OE2 3.32Å
231	T	90.9	Very high	92.1	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.067	17%	0.171	C	C	.	.			trans	-71.3	161	178.9	63.9	0	0	0	0	111	Y210 S233 G234 K235 R237	Y210-T231 HydrophobicContact CD1-CG2 4.45Å; Y210-T231 HydrophobicContact CE1-CG2 4.04Å; T231-S233 PolarHBondContact O-N 3Å; T231-S233 PolarHBondContact OG1-N 3.11Å; T231-S233 PolarHBondContact OG1-OG 3.49Å; T231-G234 PolarHBondContact O-N 2.99Å; T231-K235 PolarHBondContact N-O 3.21Å; T231-K235 PolarHBondContact OG1-N 3.11Å; T231-K235 PolarHBondContact OG1-O 3.08Å; T231-R237 HydrophobicContact CG2-CB 4.41Å; T231-R237 HydrophobicContact CG2-CG 4.07Å
232	P	87.8	Confident	92.8	Very high	68 Å²	68	25.1 Å²	25.1	44%	0.442	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.7	172	-24.2	32.5	0	0	0	113.9	E208 Y210 G234	E208-P232 HydrophobicContact CB-CG 4Å; E208-P232 HydrophobicContact CG-CG 4.36Å; Y210-P232 HydrophobicContact CE2-CG 4.35Å; P232-G234 VanDerWaalsContact C-N 3.25Å; P232-G234 PolarHBondContact O-N 3.28Å
233	S	86.7	Confident	92.9	Very high	91 Å²	91	25 Å²	25	64%	0.636	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.7	175.2	75.5	0	0	0	0	114.3	T231 K235	T231-S233 PolarHBondContact O-N 3Å; T231-S233 PolarHBondContact OG1-N 3.11Å; T231-S233 PolarHBondContact OG1-OG 3.49Å; S233-K235 VanDerWaalsContact C-N 3.31Å; S233-K235 PolarHBondContact O-N 3.38Å
234	G	88.1	Confident	92.8	Very high	40 Å²	40	22.4 Å²	22.4	41%	0.412	13%	0.126	S	C	.	.	S	Bend	trans	85.9	-11	-178.4	0	0	0	0	0	115.1	R230 T231 P232	R230-G234 PolarHBondContact NH1-O 2.99Å; T231-G234 PolarHBondContact O-N 2.99Å; P232-G234 VanDerWaalsContact C-N 3.25Å; P232-G234 PolarHBondContact O-N 3.28Å
235	K	92.8	Very high	92.5	Very high	122 Å²	122	25.1 Å²	25.1	53%	0.53	14%	0.144	S	C	.	.			trans	-74	142.4	177.4	-64.6	-176.6	178.5	-177.4	0	112	T231 S233	T231-K235 PolarHBondContact N-O 3.21Å; T231-K235 PolarHBondContact OG1-N 3.11Å; T231-K235 PolarHBondContact OG1-O 3.08Å; S233-K235 VanDerWaalsContact C-N 3.31Å; S233-K235 PolarHBondContact O-N 3.38Å
236	I	94.9	Very high	92.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.3	172.1	-57.7	179.6	0	0	0	109.3	L213 I228 M229 I283 E285 Y288	L213-I236 HydrophobicContact CD1-CD1 4.08Å; L213-I236 HydrophobicContact CD1-CG1 4.21Å; L213-I236 HydrophobicContact CD1-CG2 4.08Å; I228-I236 HydrophobicContact CG2-CG2 3.63Å; M229-I236 WeakPolarHBondContact O-CA 3.4Å; I236-I283 HydrophobicContact CB-CB 4.46Å; I236-I283 HydrophobicContact CG2-CB 4.12Å; I236-I283 PolarHBondContact O-N 2.75Å; I236-E285 VanDerWaalsContact CD1-OE2 3.26Å; I236-E285 WeakPolarHBondContact CD1-OE2 3.48Å; I236-Y288 HydrophobicContact CD1-CD1 3.72Å; I236-Y288 HydrophobicContact CD1-CG 3.74Å; I236-Y288 HydrophobicContact CG2-CD2 4.49Å
237	R	94.4	Very high	92.2	Very high	54 Å²	54	26 Å²	26	20%	0.204	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.1	175.9	-73.7	-166	165.7	165.3	-3.3	111.4	E148 I228 M229 T231 Y239 D282	E148-R237 IonicContact OE1-CZ 2.74Å; E148-R237 IonicContact OE1-NE 2.77Å; E148-R237 IonicContact OE1-NH1 2.67Å; E148-R237 PolarHBondContact OE1-NH1 2.94Å; E148-R237 IonicContact OE2-CZ 3.93Å; E148-R237 IonicContact OE2-NH1 2.77Å; E148-R237 PolarHBondContact OE2-NH1 3.24Å; I228-R237 WeakPolarHBondContact CA-O 3.48Å; M229-R237 PolarHBondContact N-O 3.14Å; M229-R237 PolarHBondContact O-N 3.26Å; T231-R237 HydrophobicContact CG2-CB 4.41Å; T231-R237 HydrophobicContact CG2-CG 4.07Å; R237-Y239 HydrophobicContact CB-CE2 3.95Å; R237-D282 WeakPolarHBondContact CG-OD1 3.47Å; R237-D282 IonicContact CZ-OD1 2.66Å; R237-D282 IonicContact NE-OD1 2.71Å; R237-D282 PolarHBondContact NE-OD1 2.83Å; R237-D282 IonicContact NH2-OD1 3.94Å
238	L	95.9	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.7	167.9	177.9	153	0	0	0	108.7	V227 I228 C240 V280 A281 I283 I316 E317 L320	V227-L238 WeakPolarHBondContact O-CA 3.49Å; I228-L238 HydrophobicContact CD1-CD1 4.4Å; I228-L238 HydrophobicContact CG1-CB 4.45Å; I228-L238 HydrophobicContact CG1-CD1 4.15Å; I228-L238 HydrophobicContact CG1-CG 4.35Å; L238-C240 HydrophobicContact CD2-CB 3.86Å; L238-V280 CarbonylContact O-C 3.55Å; L238-V280 VanDerWaalsContact O-CA 3.31Å; L238-V280 WeakPolarHBondContact O-CA 3.43Å; L238-A281 PolarHBondContact N-O 2.7Å; L238-A281 PolarHBondContact O-N 2.91Å; L238-I283 HydrophobicContact CB-CD1 3.6Å; L238-I283 HydrophobicContact CB-CG1 4.23Å; L238-I283 HydrophobicContact CD1-CD1 3.99Å; L238-I283 HydrophobicContact CG-CD1 4.47Å; L238-I316 HydrophobicContact CD1-CB 4.47Å; L238-I316 HydrophobicContact CD1-CG1 3.88Å; L238-I316 HydrophobicContact CD1-CG2 4.07Å; L238-E317 HydrophobicContact CD1-CG 4.21Å; L238-L320 HydrophobicContact CD2-CD2 3.63Å
239	Y	96.3	Very high	91.9	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122	173.7	-64.4	-70.7	0	0	0	108.4	E148 M152 I155 S226 V227 M229 R237 V280	E148-Y239 VanDerWaalsContact OE1-CE1 3.26Å; E148-Y239 WeakPolarHBondContact OE1-CE1 3.5Å; E148-Y239 PolarHBondContact OE1-OH 3.34Å; M152-Y239 HydrophobicContact CB-CD1 3.87Å; M152-Y239 HydrophobicContact CB-CE1 4.22Å; M152-Y239 HydrophobicContact CG-CD1 3.63Å; M152-Y239 HydrophobicContact CG-CE1 4.46Å; M152-Y239 HydrophobicContact CG-CG 4.02Å; M152-Y239 HydrophobicContact SD-CD1 3.71Å; M152-Y239 HydrophobicContact SD-CG 4.34Å; I155-Y239 HydrophobicContact CD1-CD2 3.68Å; I155-Y239 HydrophobicContact CD1-CE1 4.48Å; I155-Y239 HydrophobicContact CD1-CE2 3.33Å; I155-Y239 HydrophobicContact CD1-CG 4.38Å; I155-Y239 HydrophobicContact CG1-CD2 4.32Å; I155-Y239 HydrophobicContact CG1-CE2 4.42Å; S226-Y239 CarbonylContact C-O 3.6Å; S226-Y239 WeakPolarHBondContact CA-O 3.42Å; S226-Y239 WeakPolarHBondContact CB-O 3.26Å; V227-Y239 HydrophobicContact CG2-CD2 4.14Å; V227-Y239 HydrophobicContact CG2-CG 4.49Å; V227-Y239 PolarHBondContact N-O 2.86Å; V227-Y239 PolarHBondContact O-N 2.79Å; M229-Y239 HydrophobicContact CB-CD2 4.43Å; M229-Y239 HydrophobicContact CB-CE2 4.23Å; M229-Y239 HydrophobicContact CG-CD2 4.2Å; M229-Y239 HydrophobicContact CG-CE2 4.4Å; R237-Y239 HydrophobicContact CB-CE2 3.95Å; Y239-V280 HydrophobicContact CD1-CB 4.36Å; Y239-V280 HydrophobicContact CD1-CG2 3.85Å; Y239-V280 HydrophobicContact CE1-CG2 3.78Å
240	C	95.8	Very high	91.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.5	-178	-173.3	0	0	0	0	111	M152 M225 S226 L238 I247 A279 L320	M152-C240 VanDerWaalsContact CE-N 3.26Å; M152-C240 WeakPolarHBondContact CE-O 3.26Å; M225-C240 WeakPolarHBondContact O-CA 3.42Å; S226-C240 WeakPolarHBondContact OG-CB 3.4Å; S226-C240 PolarHBondContact OG-SG 2.93Å; L238-C240 HydrophobicContact CD2-CB 3.86Å; C240-I247 HydrophobicContact CB-CD1 4.31Å; C240-I247 WeakPolarHBondContact SG-CD1 3.26Å; C240-A279 PolarHBondContact N-O 3.22Å; C240-A279 PolarHBondContact O-N 2.74Å; C240-L320 HydrophobicContact CB-CD1 4.06Å
241	K	95.6	Very high	91.8	Very high	7 Å²	7	34 Å²	34	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.5	172.4	72.7	-179.3	-176	-170.4	0	110.4	M152 C156 E177 R224 M225 C277 F278	M152-K241 HydrophobicContact CE-CB 4.23Å; C156-K241 WeakPolarHBondContact O-CD 3.42Å; C156-K241 VanDerWaalsContact O-CE 3.24Å; C156-K241 WeakPolarHBondContact O-CE 3.49Å; C156-K241 PolarHBondContact O-NZ 2.73Å; E177-K241 VanDerWaalsContact CG-NZ 3.35Å; E177-K241 WeakPolarHBondContact OE1-CE 3.42Å; E177-K241 IonicContact OE1-NZ 3.51Å; E177-K241 PolarHBondContact OE1-NZ 2.6Å; R224-K241 CarbonylContact C-O 3.55Å; R224-K241 VanDerWaalsContact CA-O 3.27Å; R224-K241 WeakPolarHBondContact CA-O 3.47Å; R224-K241 WeakPolarHBondContact CB-O 3.41Å; M225-K241 HydrophobicContact CB-CG 4.26Å; M225-K241 PolarHBondContact N-O 2.78Å; M225-K241 PolarHBondContact O-N 2.65Å; M225-K241 WeakPolarHBondContact SD-CE 3.23Å; K241-C277 VanDerWaalsContact CA-O 3.27Å; K241-C277 WeakPolarHBondContact CA-O 3.38Å; K241-F278 HydrophobicContact CB-CD1 4.24Å; K241-F278 HydrophobicContact CB-CE1 4.08Å; K241-F278 HydrophobicContact CB-CZ 4.24Å; K241-F278 HydrophobicContact CD-CE1 4.47Å; K241-F278 HydrophobicContact CD-CZ 4.48Å
242	G	93.3	Very high	91.9	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-168.8	-178.8	0	0	0	0	0	114.6	K223 C277	K223-G242 CarbonylContact O-C 3.17Å; K223-G242 VanDerWaalsContact O-CA 3.31Å; K223-G242 WeakPolarHBondContact O-CA 3.38Å; G242-C277 PolarHBondContact N-O 3.5Å; G242-C277 PolarHBondContact O-N 2.86Å
243	A	89.9	Confident	91.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.			trans	-61.9	146.9	173.8	0	0	0	0	0	111.3	K223 T245 V246 I247 Y804	K223-A243 HydrophobicContact CB-CB 4.06Å; K223-A243 PolarHBondContact O-N 3.49Å; A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 2.87Å; A243-V246 HydrophobicContact CB-CG2 3.92Å; A243-V246 WeakPolarHBondContact O-CG2 3.48Å; A243-V246 PolarHBondContact O-N 3.05Å; A243-I247 WeakPolarHBondContact O-CB 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.48Å; A243-I247 PolarHBondContact O-N 2.95Å; A243-Y804 VanDerWaalsContact CA-CE2 3.45Å; A243-Y804 HydrophobicContact CB-CD1 3.5Å; A243-Y804 HydrophobicContact CB-CD2 3.38Å; A243-Y804 HydrophobicContact CB-CE1 3.68Å; A243-Y804 HydrophobicContact CB-CE2 3.53Å; A243-Y804 HydrophobicContact CB-CG 3.33Å
244	D	87.1	Confident	91.9	Very high	9 Å²	9	38 Å²	38	5%	0.048	21%	0.208	C	C	.	.	H	α-helix	trans	-55.6	-47.2	172.9	66.5	-53	0	0	0	111.7	V246 I247 Y248 L265 C277 H802	D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.07Å; D244-I247 PolarHBondContact O-N 2.77Å; D244-Y248 HydrophobicContact CB-CD2 4.47Å; D244-Y248 HydrophobicContact CB-CE2 4.48Å; D244-Y248 VanDerWaalsContact O-CB 3.31Å; D244-Y248 WeakPolarHBondContact O-CB 3.29Å; D244-Y248 WeakPolarHBondContact O-CD2 3.22Å; D244-Y248 PolarHBondContact O-N 2.97Å; D244-L265 HydrophobicContact CB-CD1 3.91Å; D244-C277 VanDerWaalsContact CA-SG 3.59Å; D244-H802 HydrophobicContact CB-CB 4.49Å; D244-H802 VanDerWaalsContact CG-CB 3.44Å; D244-H802 WeakPolarHBondContact OD2-CB 3.25Å; D244-H802 IonicContact OD2-CD2 2.82Å; D244-H802 IonicContact OD2-CG 3.82Å; D244-H802 IonicContact OD2-ND1 3.71Å; D244-H802 PolarHBondContact OD2-ND1 3.38Å
245	T	85.6	Confident	91.9	Very high	62 Å²	62	36.7 Å²	36.7	38%	0.38	19%	0.193	S	C	.	.	H	α-helix	trans	-55.1	-44.9	177.3	48.6	0	0	0	0	112.8	A243	A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 2.87Å
246	V	90.3	Very high	91.3	Very high	20 Å²	20	41 Å²	41	12%	0.121	21%	0.206	C	C	.	.	H	α-helix	trans	-82.4	-31.6	-177.4	-55	0	0	0	0	113.2	K223 R224 A243 D244 R250	K223-V246 HydrophobicContact CB-CG1 4.02Å; K223-V246 HydrophobicContact CB-CG2 4.26Å; R224-V246 HydrophobicContact CB-CG2 3.99Å; R224-V246 HydrophobicContact CG-CG2 4.48Å; A243-V246 HydrophobicContact CB-CG2 3.92Å; A243-V246 WeakPolarHBondContact O-CG2 3.48Å; A243-V246 PolarHBondContact O-N 3.05Å; D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.07Å; V246-R250 PolarHBondContact O-NH1 3.35Å
247	I	93.1	Very high	91	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-73.5	-43	179.1	-67.2	-67	0	0	0	110	C240 A243 D244 D249 R250 L251 C277 A279 L322	C240-I247 HydrophobicContact CB-CD1 4.31Å; C240-I247 WeakPolarHBondContact SG-CD1 3.26Å; A243-I247 WeakPolarHBondContact O-CB 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.48Å; A243-I247 PolarHBondContact O-N 2.95Å; D244-I247 PolarHBondContact O-N 2.77Å; I247-D249 VanDerWaalsContact C-N 3.31Å; I247-D249 PolarHBondContact O-N 3.42Å; I247-R250 PolarHBondContact O-N 3.19Å; I247-L251 HydrophobicContact CG2-CD2 4.12Å; I247-L251 HydrophobicContact CG2-CG 4.42Å; I247-L251 WeakPolarHBondContact O-CG 3.36Å; I247-L251 PolarHBondContact O-N 3.28Å; I247-C277 HydrophobicContact CB-CB 3.94Å; I247-C277 HydrophobicContact CG1-CB 3.99Å; I247-C277 HydrophobicContact CG2-CB 3.92Å; I247-A279 HydrophobicContact CG2-CB 3.93Å; I247-L322 HydrophobicContact CG2-CD1 4.43Å
248	Y	91.3	Very high	90.7	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.153	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-36.5	-175.7	-87.8	-119.4	0	0	0	113	D244 R250 L251 K258 T261 L262 L265 L322	D244-Y248 HydrophobicContact CB-CD2 4.47Å; D244-Y248 HydrophobicContact CB-CE2 4.48Å; D244-Y248 VanDerWaalsContact O-CB 3.31Å; D244-Y248 WeakPolarHBondContact O-CB 3.29Å; D244-Y248 WeakPolarHBondContact O-CD2 3.22Å; D244-Y248 PolarHBondContact O-N 2.97Å; Y248-R250 PolarHBondContact O-N 3.39Å; Y248-L251 HydrophobicContact CD1-CD1 4.29Å; Y248-L251 HydrophobicContact CD2-CD1 4.19Å; Y248-L251 HydrophobicContact CG-CD1 4.08Å; Y248-L251 PolarHBondContact O-N 3.47Å; Y248-K258 HydrophobicContact CE1-CB 4.22Å; Y248-K258 PolarHBondContact OH-O 2.92Å; Y248-K258 VanDerWaalsContact OH-O 3.08Å; Y248-T261 WeakPolarHBondContact OH-CB 3.22Å; Y248-L262 HydrophobicContact CD1-CD1 4.03Å; Y248-L262 HydrophobicContact CE1-CB 4.1Å; Y248-L262 HydrophobicContact CE1-CD1 3.63Å; Y248-L262 HydrophobicContact CE1-CG 4.48Å; Y248-L262 PolarHBondContact OH-N 3.24Å; Y248-L265 HydrophobicContact CE2-CD1 4.17Å; Y248-L322 HydrophobicContact CE2-CD2 4.38Å
249	D	91.3	Very high	90.4	Very high	135 Å²	135	51.2 Å²	51.2	72%	0.722	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.2	175	-69.8	-13.5	0	0	0	113.5	I247	I247-D249 VanDerWaalsContact C-N 3.31Å; I247-D249 PolarHBondContact O-N 3.42Å
250	R	93.5	Very high	90.2	Very high	39 Å²	39	55.1 Å²	55.1	15%	0.147	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-0.3	-175	-69.4	168.2	-178.4	72.8	4.6	113.2	V246 I247 Y248 E314 E317 N319 L320	V246-R250 PolarHBondContact O-NH1 3.35Å; I247-R250 PolarHBondContact O-N 3.19Å; Y248-R250 PolarHBondContact O-N 3.39Å; R250-E314 IonicContact CZ-OE1 2.75Å; R250-E314 IonicContact CZ-OE2 2.7Å; R250-E314 IonicContact NE-OE1 2.78Å; R250-E314 PolarHBondContact NE-OE1 3.47Å; R250-E314 IonicContact NE-OE2 3.56Å; R250-E314 PolarHBondContact NE-OE2 3.29Å; R250-E314 IonicContact NH2-OE1 2.7Å; R250-E314 PolarHBondContact NH2-OE1 2.87Å; R250-E314 IonicContact NH2-OE2 2.74Å; R250-E314 PolarHBondContact NH2-OE2 3.5Å; R250-E317 WeakPolarHBondContact CB-O 3.48Å; R250-E317 WeakPolarHBondContact CD-O 3.49Å; R250-E317 WeakPolarHBondContact CG-O 3.44Å; R250-N319 PolarHBondContact O-N 3.38Å; R250-L320 HydrophobicContact CB-CD1 3.89Å; R250-L320 HydrophobicContact CB-CG 4.33Å; R250-L320 PolarHBondContact O-N 3.14Å
251	L	93.9	Very high	90	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.058	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-74.5	137.3	178.2	-66.3	176.9	0	0	0	111.3	I247 Y248 K258 A279 L320 L322	I247-L251 HydrophobicContact CG2-CD2 4.12Å; I247-L251 HydrophobicContact CG2-CG 4.42Å; I247-L251 WeakPolarHBondContact O-CG 3.36Å; I247-L251 PolarHBondContact O-N 3.28Å; Y248-L251 HydrophobicContact CD1-CD1 4.29Å; Y248-L251 HydrophobicContact CD2-CD1 4.19Å; Y248-L251 HydrophobicContact CG-CD1 4.08Å; Y248-L251 PolarHBondContact O-N 3.47Å; L251-K258 HydrophobicContact CD1-CD 4.21Å; L251-K258 HydrophobicContact CD1-CG 3.94Å; L251-K258 PolarHBondContact O-NZ 3.32Å; L251-A279 HydrophobicContact CD2-CB 4.02Å; L251-L320 CarbonylContact C-O 3.59Å; L251-L320 VanDerWaalsContact CA-O 3.27Å; L251-L320 WeakPolarHBondContact CA-O 3.37Å; L251-L320 HydrophobicContact CD2-CB 4.07Å; L251-L320 WeakPolarHBondContact CD2-O 3.24Å; L251-L322 HydrophobicContact CD1-CB 3.99Å; L251-L322 HydrophobicContact CD1-CD1 4.43Å; L251-L322 HydrophobicContact CD1-CD2 4.23Å; L251-L322 HydrophobicContact CD1-CG 4.46Å; L251-L322 HydrophobicContact CD2-CB 3.76Å; L251-L322 HydrophobicContact CD2-CD1 4.42Å
252	A	92.7	Very high	89.7	Confident	12 Å²	12	57.2 Å²	57.2	10%	0.099	28%	0.284	C	S	.	.			trans	-59.1	148.7	170	0	0	0	0	0	111.3	S254 S255 K258 N319 L320	A252-S254 PolarHBondContact O-N 3.19Å; A252-S255 WeakPolarHBondContact O-CB 3.36Å; A252-S255 PolarHBondContact O-N 3.21Å; A252-S255 VanDerWaalsContact O-N 3.14Å; A252-K258 WeakPolarHBondContact O-CE 2.91Å; A252-K258 PolarHBondContact O-NZ 3.46Å; A252-N319 HydrophobicContact CB-CB 4.29Å; A252-L320 PolarHBondContact N-O 2.91Å
253	D	86.7	Confident	89.6	Confident	161 Å²	161	63.8 Å²	63.8	86%	0.861	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27	176.5	-65.2	-33.6	0	0	0	112.6	S255	D253-S255 PolarHBondContact O-N 3.12Å
254	S	87.2	Confident	89.6	Confident	81 Å²	81	65.5 Å²	65.5	57%	0.566	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	0.7	178.9	60.2	0	0	0	0	115.1	A252 Q321	A252-S254 PolarHBondContact O-N 3.19Å; S254-Q321 PolarHBondContact OG-NE2 3.16Å; S254-Q321 VanDerWaalsContact OG-NE2 3.11Å
255	S	87.7	Confident	89.7	Confident	12 Å²	12	65 Å²	65	8%	0.084	32%	0.317	C	S	.	.			trans	-74.6	127.7	-173.7	-159.1	0	0	0	0	113.2	A252 D253 Y257 Q321 L322	A252-S255 WeakPolarHBondContact O-CB 3.36Å; A252-S255 PolarHBondContact O-N 3.21Å; A252-S255 VanDerWaalsContact O-N 3.14Å; D253-S255 PolarHBondContact O-N 3.12Å; S255-Y257 PolarHBondContact O-N 3.03Å; S255-Q321 PolarHBondContact OG-OE1 3.47Å; S255-L322 PolarHBondContact OG-N 2.96Å
256	R	80.8	Confident	89.6	Confident	212 Å²	212	66 Å²	66	80%	0.8	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.5	-158.4	-64.3	-176.2	179.8	179.7	-0.8	116.9
257	Y	88.8	Confident	89.3	Confident	64 Å²	64	68.7 Å²	68.7	25%	0.251	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	14	-170.9	-50.6	-61.8	0	0	0	115.2	A111 S255 T261	A111-Y257 HydrophobicContact CB-CE1 4.22Å; A111-Y257 HydrophobicContact CB-CE2 3.98Å; A111-Y257 WeakPolarHBondContact O-CE1 3.43Å; S255-Y257 PolarHBondContact O-N 3.03Å; Y257-T261 VanDerWaalsContact O-CB 3.23Å; Y257-T261 WeakPolarHBondContact O-CB 3.13Å; Y257-T261 PolarHBondContact O-N 2.89Å; Y257-T261 VanDerWaalsContact O-N 3.11Å; Y257-T261 PolarHBondContact O-OG1 3.05Å
258	K	89.1	Confident	89	Confident	53 Å²	53	68.7 Å²	68.7	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-54.9	-59.2	-172.4	-64.8	-172.3	-178	-172	0	112.6	Y248 L251 A252 I260 T261 L262	Y248-K258 HydrophobicContact CE1-CB 4.22Å; Y248-K258 PolarHBondContact OH-O 2.92Å; Y248-K258 VanDerWaalsContact OH-O 3.08Å; L251-K258 HydrophobicContact CD1-CD 4.21Å; L251-K258 HydrophobicContact CD1-CG 3.94Å; L251-K258 PolarHBondContact O-NZ 3.32Å; A252-K258 WeakPolarHBondContact O-CE 2.91Å; A252-K258 PolarHBondContact O-NZ 3.46Å; K258-I260 PolarHBondContact O-N 3.36Å; K258-T261 PolarHBondContact O-N 3.44Å; K258-L262 WeakPolarHBondContact O-CB 3.42Å; K258-L262 PolarHBondContact O-N 3.21Å
259	E	88.8	Confident	88.4	Confident	155 Å²	155	67.3 Å²	67.3	72%	0.724	33%	0.325	S	S	*	.	H	α-helix	trans	-67.3	-40.9	-171.8	-64.1	-178.8	-177.2	0	0	113.8	L262 K263	E259-L262 PolarHBondContact O-N 2.96Å; E259-K263 PolarHBondContact O-N 2.94Å
260	I	91.7	Very high	87.5	Confident	84 Å²	84	64.5 Å²	64.5	43%	0.431	31%	0.313	S	S	.	.	H	α-helix	trans	-68.6	-44	-178.4	-58.3	169.5	0	0	0	109.9	G112 K258 L262 K263 H264	G112-I260 WeakPolarHBondContact O-CG2 3.12Å; K258-I260 PolarHBondContact O-N 3.36Å; I260-L262 VanDerWaalsContact C-N 3.3Å; I260-L262 PolarHBondContact O-N 3.33Å; I260-K263 PolarHBondContact O-N 3.31Å; I260-H264 PolarHBondContact O-N 3.12Å; I260-H264 VanDerWaalsContact O-N 3.14Å
261	T	92.4	Very high	86.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-38.5	178.5	-54.8	0	0	0	0	111.1	T109 Y248 Y257 K258 K263 H264 L265 L322 A325	T109-T261 HydrophobicContact CG2-CG2 3.79Å; Y248-T261 WeakPolarHBondContact OH-CB 3.22Å; Y257-T261 VanDerWaalsContact O-CB 3.23Å; Y257-T261 WeakPolarHBondContact O-CB 3.13Å; Y257-T261 PolarHBondContact O-N 2.89Å; Y257-T261 VanDerWaalsContact O-N 3.11Å; Y257-T261 PolarHBondContact O-OG1 3.05Å; K258-T261 PolarHBondContact O-N 3.44Å; T261-K263 PolarHBondContact O-N 3.49Å; T261-H264 PolarHBondContact O-N 2.92Å; T261-L265 HydrophobicContact CG2-CD1 4.16Å; T261-L265 HydrophobicContact CG2-CG 4.45Å; T261-L265 VanDerWaalsContact O-CG 3.32Å; T261-L265 WeakPolarHBondContact O-CG 3.31Å; T261-L265 PolarHBondContact O-N 2.96Å; T261-L322 HydrophobicContact CG2-CD2 4.02Å; T261-A325 HydrophobicContact CG2-CB 4.07Å
262	L	89.7	Confident	85.8	Confident	51 Å²	51	66.3 Å²	66.3	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-42.7	176.7	-167.1	130.8	0	0	0	112	Y248 K258 E259 I260 H264 L265 E266	Y248-L262 HydrophobicContact CD1-CD1 4.03Å; Y248-L262 HydrophobicContact CE1-CB 4.1Å; Y248-L262 HydrophobicContact CE1-CD1 3.63Å; Y248-L262 HydrophobicContact CE1-CG 4.48Å; Y248-L262 PolarHBondContact OH-N 3.24Å; K258-L262 WeakPolarHBondContact O-CB 3.42Å; K258-L262 PolarHBondContact O-N 3.21Å; E259-L262 PolarHBondContact O-N 2.96Å; I260-L262 VanDerWaalsContact C-N 3.3Å; I260-L262 PolarHBondContact O-N 3.33Å; L262-H264 VanDerWaalsContact C-N 3.35Å; L262-H264 PolarHBondContact O-N 3.15Å; L262-L265 WeakPolarHBondContact O-CB 3.28Å; L262-L265 PolarHBondContact O-N 3Å; L262-E266 VanDerWaalsContact CD2-OE1 3.32Å; L262-E266 WeakPolarHBondContact CD2-OE1 3.32Å; L262-E266 WeakPolarHBondContact O-CG 3.42Å; L262-E266 PolarHBondContact O-N 3.39Å
263	K	89.6	Confident	85.4	Confident	140 Å²	140	66.2 Å²	66.2	61%	0.609	32%	0.322	S	S	*	.	H	α-helix	trans	-61.5	-40.2	173.5	-70.3	177.9	-178.3	175.2	0	112.8	E259 I260 T261 E266 Q267	E259-K263 PolarHBondContact O-N 2.94Å; I260-K263 PolarHBondContact O-N 3.31Å; T261-K263 PolarHBondContact O-N 3.49Å; K263-E266 PolarHBondContact O-N 3.33Å; K263-Q267 PolarHBondContact O-N 3.11Å; K263-Q267 VanDerWaalsContact O-N 3.09Å
264	H	91.6	Very high	85.4	Confident	35 Å²	35	58.8 Å²	58.8	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-38.4	175.9	-65.9	160.6	0	0	0	112.3	T109 G112 I260 T261 L262 E266 Q267 F268	T109-H264 HydrophobicContact CG2-CB 4.07Å; T109-H264 PolarHBondContact OG1-ND1 3.13Å; G112-H264 PolarHBondContact O-CE1 3.2Å; I260-H264 PolarHBondContact O-N 3.12Å; I260-H264 VanDerWaalsContact O-N 3.14Å; T261-H264 PolarHBondContact O-N 2.92Å; L262-H264 VanDerWaalsContact C-N 3.35Å; L262-H264 PolarHBondContact O-N 3.15Å; H264-E266 VanDerWaalsContact C-N 3.35Å; H264-Q267 WeakPolarHBondContact O-CB 3.45Å; H264-Q267 PolarHBondContact O-N 2.89Å; H264-F268 HydrophobicContact CB-CE2 4.31Å; H264-F268 HydrophobicContact CB-CZ 4.34Å; H264-F268 WeakPolarHBondContact O-CD2 3.41Å; H264-F268 WeakPolarHBondContact O-CG 3.35Å; H264-F268 PolarHBondContact O-N 3.24Å
265	L	88.5	Confident	85.5	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-44.8	174.1	-75.3	165.2	0	0	0	111.5	D244 Y248 T261 L262 Q267 F268 A269 T275 C277 A325	D244-L265 HydrophobicContact CB-CD1 3.91Å; Y248-L265 HydrophobicContact CE2-CD1 4.17Å; T261-L265 HydrophobicContact CG2-CD1 4.16Å; T261-L265 HydrophobicContact CG2-CG 4.45Å; T261-L265 VanDerWaalsContact O-CG 3.32Å; T261-L265 WeakPolarHBondContact O-CG 3.31Å; T261-L265 PolarHBondContact O-N 2.96Å; L262-L265 WeakPolarHBondContact O-CB 3.28Å; L262-L265 PolarHBondContact O-N 3Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; L265-Q267 PolarHBondContact O-N 3.07Å; L265-F268 PolarHBondContact O-N 2.99Å; L265-A269 WeakPolarHBondContact O-CB 3.24Å; L265-A269 PolarHBondContact O-N 3.37Å; L265-T275 VanDerWaalsContact CD2-CB 3.44Å; L265-T275 HydrophobicContact CD2-CG2 3.78Å; L265-C277 VanDerWaalsContact CD1-SG 3.56Å; L265-A325 HydrophobicContact CD1-CB 4.45Å; L265-A325 HydrophobicContact CD2-CB 3.58Å; L265-A325 HydrophobicContact CG-CB 4.12Å
266	E	83.2	Confident	85.8	Confident	83 Å²	83	54.6 Å²	54.6	39%	0.388	25%	0.252	S	S	.	.	H	α-helix	trans	-59.2	-43.5	174.1	-70	175.5	-178.2	0	0	111.4	L262 K263 H264 A269 T270 H802	L262-E266 VanDerWaalsContact CD2-OE1 3.32Å; L262-E266 WeakPolarHBondContact CD2-OE1 3.32Å; L262-E266 WeakPolarHBondContact O-CG 3.42Å; L262-E266 PolarHBondContact O-N 3.39Å; K263-E266 PolarHBondContact O-N 3.33Å; H264-E266 VanDerWaalsContact C-N 3.35Å; E266-A269 PolarHBondContact O-N 3.45Å; E266-T270 WeakPolarHBondContact O-CG2 3.44Å; E266-T270 PolarHBondContact O-N 3.35Å; E266-H802 WeakPolarHBondContact CG-CD2 3.49Å; E266-H802 IonicContact OE1-CD2 3.21Å; E266-H802 IonicContact OE1-NE2 3.29Å; E266-H802 PolarHBondContact OE1-NE2 3.41Å; E266-H802 VanDerWaalsContact OE1-NE2 3.12Å
267	Q	84.4	Confident	86.5	Confident	76 Å²	76	44.5 Å²	44.5	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-49.2	176.2	-174.9	-177.5	-14.6	0	0	111.6	K263 H264 L265 A269 T270 E271	K263-Q267 PolarHBondContact O-N 3.11Å; K263-Q267 VanDerWaalsContact O-N 3.09Å; H264-Q267 WeakPolarHBondContact O-CB 3.45Å; H264-Q267 PolarHBondContact O-N 2.89Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; L265-Q267 PolarHBondContact O-N 3.07Å; Q267-A269 VanDerWaalsContact C-N 3.32Å; Q267-A269 PolarHBondContact O-N 3.46Å; Q267-T270 PolarHBondContact O-N 3.03Å; Q267-T270 VanDerWaalsContact O-N 3.11Å; Q267-T270 PolarHBondContact O-OG1 3.41Å; Q267-E271 PolarHBondContact O-N 3.5Å
268	F	86	Confident	86.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-40.8	178.6	-61.8	-22.7	0	0	0	112.1	K107 T109 A114 H264 L265 T270 E271 G272 L273 T275 A327	K107-F268 HydrophobicContact CB-CD1 4.28Å; K107-F268 HydrophobicContact CB-CE1 3.76Å; K107-F268 HydrophobicContact CB-CZ 3.88Å; K107-F268 HydrophobicContact CD-CD1 3.88Å; K107-F268 HydrophobicContact CD-CE1 3.61Å; K107-F268 HydrophobicContact CG-CE1 4.32Å; T109-F268 HydrophobicContact CG2-CE2 4.03Å; A114-F268 HydrophobicContact CB-CZ 4.42Å; H264-F268 HydrophobicContact CB-CE2 4.31Å; H264-F268 HydrophobicContact CB-CZ 4.34Å; H264-F268 WeakPolarHBondContact O-CD2 3.41Å; H264-F268 WeakPolarHBondContact O-CG 3.35Å; H264-F268 PolarHBondContact O-N 3.24Å; L265-F268 PolarHBondContact O-N 2.99Å; F268-T270 VanDerWaalsContact C-N 3.32Å; F268-T270 PolarHBondContact O-N 2.81Å; F268-E271 PolarHBondContact O-N 2.74Å; F268-E271 VanDerWaalsContact O-N 3.15Å; F268-G272 PolarHBondContact O-N 2.98Å; F268-L273 HydrophobicContact CB-CB 4.32Å; F268-L273 HydrophobicContact CB-CD1 4.32Å; F268-L273 HydrophobicContact CD1-CD1 4.45Å; F268-L273 WeakPolarHBondContact O-CB 3.31Å; F268-L273 PolarHBondContact O-N 3.36Å; F268-T275 HydrophobicContact CB-CG2 3.68Å; F268-T275 HydrophobicContact CD2-CG2 4.35Å; F268-A327 HydrophobicContact CB-CB 4.02Å; F268-A327 HydrophobicContact CD1-CB 4.42Å; F268-A327 HydrophobicContact CD2-CB 3.67Å; F268-A327 HydrophobicContact CE2-CB 4.19Å; F268-A327 HydrophobicContact CG-CB 3.79Å
269	A	78.2	Confident	87.2	Confident	9 Å²	9	39 Å²	39	7%	0.074	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-40.5	173.8	0	0	0	0	0	111.8	L265 E266 Q267 E271 G272 H802	L265-A269 WeakPolarHBondContact O-CB 3.24Å; L265-A269 PolarHBondContact O-N 3.37Å; E266-A269 PolarHBondContact O-N 3.45Å; Q267-A269 VanDerWaalsContact C-N 3.32Å; Q267-A269 PolarHBondContact O-N 3.46Å; A269-E271 PolarHBondContact O-N 3.07Å; A269-G272 WeakPolarHBondContact O-CA 3.22Å; A269-G272 PolarHBondContact O-N 3.37Å; A269-H802 VanDerWaalsContact CB-C 3.44Å
270	T	73.1	Confident	87.5	Confident	77 Å²	77	32.4 Å²	32.4	47%	0.472	16%	0.162	S	C	.	.	H	α-helix	trans	-68	-20.6	177.4	70.4	0	0	0	0	114	E266 Q267 F268 G272	E266-T270 WeakPolarHBondContact O-CG2 3.44Å; E266-T270 PolarHBondContact O-N 3.35Å; Q267-T270 PolarHBondContact O-N 3.03Å; Q267-T270 VanDerWaalsContact O-N 3.11Å; Q267-T270 PolarHBondContact O-OG1 3.41Å; F268-T270 VanDerWaalsContact C-N 3.32Å; F268-T270 PolarHBondContact O-N 2.81Å; T270-G272 VanDerWaalsContact C-N 3.3Å
271	E	75.4	Confident	87.7	Confident	82 Å²	82	29 Å²	29	38%	0.383	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3	171.3	-66	178.8	-168.1	0	0	112.4	K107 Q267 F268 A269 L273	K107-E271 VanDerWaalsContact CE-OE2 3.31Å; K107-E271 WeakPolarHBondContact CE-OE2 3.47Å; K107-E271 IonicContact NZ-OE1 2.69Å; K107-E271 PolarHBondContact NZ-OE1 3.22Å; K107-E271 IonicContact NZ-OE2 3Å; K107-E271 PolarHBondContact NZ-OE2 2.93Å; Q267-E271 PolarHBondContact O-N 3.5Å; F268-E271 PolarHBondContact O-N 2.74Å; F268-E271 VanDerWaalsContact O-N 3.15Å; A269-E271 PolarHBondContact O-N 3.07Å; E271-L273 HydrophobicContact CB-CD1 4.41Å; E271-L273 HydrophobicContact CB-CG 4.21Å
272	G	76	Confident	87.7	Confident	5 Å²	5	34.1 Å²	34.1	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	18.9	-179.6	0	0	0	0	0	114.1	F268 A269 T270 S367	F268-G272 PolarHBondContact O-N 2.98Å; A269-G272 WeakPolarHBondContact O-CA 3.22Å; A269-G272 PolarHBondContact O-N 3.37Å; T270-G272 VanDerWaalsContact C-N 3.3Å; G272-S367 WeakPolarHBondContact CA-OG 3.25Å; G272-S367 PolarHBondContact O-OG 3.04Å
273	L	83.8	Confident	87.9	Confident	10 Å²	10	32.9 Å²	32.9	5%	0.052	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-83.4	141.1	176.8	-56.1	175.2	0	0	0	110.6	K106 K107 F268 E271 A327 E329	K106-L273 HydrophobicContact CB-CD2 4.37Å; K106-L273 HydrophobicContact CG-CD2 4.4Å; K107-L273 HydrophobicContact CD-CD1 4.04Å; K107-L273 HydrophobicContact CG-CD1 4.24Å; F268-L273 HydrophobicContact CB-CB 4.32Å; F268-L273 HydrophobicContact CB-CD1 4.32Å; F268-L273 HydrophobicContact CD1-CD1 4.45Å; F268-L273 WeakPolarHBondContact O-CB 3.31Å; F268-L273 PolarHBondContact O-N 3.36Å; E271-L273 HydrophobicContact CB-CD1 4.41Å; E271-L273 HydrophobicContact CB-CG 4.21Å; L273-A327 HydrophobicContact CB-CB 3.88Å; L273-A327 HydrophobicContact CD1-CB 3.7Å; L273-A327 HydrophobicContact CG-CB 4.4Å; L273-E329 HydrophobicContact CD2-CB 3.67Å; L273-E329 HydrophobicContact CD2-CG 4.3Å
274	R	87.6	Confident	88.1	Confident	5 Å²	5	28.9 Å²	28.9	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.6	173.3	-52.9	-174.2	176.5	-171.8	-1.8	109.3	D176 A327 I328 D330 G803 A805	D176-R274 IonicContact OD1-NH1 3.19Å; D176-R274 PolarHBondContact OD1-NH1 2.96Å; D176-R274 IonicContact OD2-NH1 2.95Å; R274-A327 CarbonylContact O-C 3.42Å; R274-A327 WeakPolarHBondContact O-CA 3.4Å; R274-I328 HydrophobicContact CB-CB 4.47Å; R274-I328 WeakPolarHBondContact CB-O 3.3Å; R274-I328 PolarHBondContact N-O 3.22Å; R274-I328 PolarHBondContact O-N 2.67Å; R274-D330 IonicContact CZ-OD2 3.37Å; R274-D330 IonicContact NH2-OD2 2.88Å; R274-D330 PolarHBondContact NH2-OD2 3.48Å; R274-G803 WeakPolarHBondContact CA-O 3.35Å; R274-A805 HydrophobicContact CB-CB 4.13Å; R274-A805 HydrophobicContact CG-CB 3.85Å
275	T	89.9	Confident	88.1	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	146.2	-175.2	58.9	0	0	0	0	112.7	L265 F268 T326 H802 G803 Y804	L265-T275 VanDerWaalsContact CD2-CB 3.44Å; L265-T275 HydrophobicContact CD2-CG2 3.78Å; F268-T275 HydrophobicContact CB-CG2 3.68Å; F268-T275 HydrophobicContact CD2-CG2 4.35Å; T275-T326 VanDerWaalsContact CA-O 3.28Å; T275-T326 WeakPolarHBondContact CA-O 3.36Å; T275-H802 PolarHBondContact OG1-O 3.28Å; T275-G803 PolarHBondContact N-O 2.91Å; T275-Y804 WeakPolarHBondContact O-CD2 3.31Å; T275-Y804 PolarHBondContact OG1-N 3.47Å
276	L	93.6	Very high	88.4	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.8	172.1	-73	169.5	0	0	0	110.5	L180 F278 A325 T326 I328 Y804 F806	L180-L276 HydrophobicContact CD1-CD1 4.07Å; L276-F278 HydrophobicContact CB-CE2 3.93Å; L276-A325 CarbonylContact O-C 3.59Å; L276-A325 WeakPolarHBondContact O-CA 3.45Å; L276-A325 VanDerWaalsContact O-CB 3.26Å; L276-A325 WeakPolarHBondContact O-CB 3.08Å; L276-T326 PolarHBondContact N-O 3.49Å; L276-T326 VanDerWaalsContact N-O 3.14Å; L276-T326 PolarHBondContact O-N 3.23Å; L276-I328 HydrophobicContact CD1-CD1 4.47Å; L276-Y804 HydrophobicContact CD2-CD2 3.95Å; L276-Y804 HydrophobicContact CD2-CE2 3.54Å; L276-F806 HydrophobicContact CD1-CD2 3.81Å; L276-F806 HydrophobicContact CD1-CE2 4.04Å; L276-F806 HydrophobicContact CD2-CB 4.35Å; L276-F806 HydrophobicContact CD2-CD2 4.09Å; L276-F806 HydrophobicContact CD2-CG 4.41Å; L276-F806 HydrophobicContact CG-CD2 4.48Å
277	C	95.1	Very high	88.8	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	144.6	174.4	-71.7	0	0	0	0	111.2	K241 G242 D244 I247 L265 L322	K241-C277 VanDerWaalsContact CA-O 3.27Å; K241-C277 WeakPolarHBondContact CA-O 3.38Å; G242-C277 PolarHBondContact N-O 3.5Å; G242-C277 PolarHBondContact O-N 2.86Å; D244-C277 VanDerWaalsContact CA-SG 3.59Å; I247-C277 HydrophobicContact CB-CB 3.94Å; I247-C277 HydrophobicContact CG1-CB 3.99Å; I247-C277 HydrophobicContact CG2-CB 3.92Å; L265-C277 VanDerWaalsContact CD1-SG 3.56Å; C277-L322 HydrophobicContact CB-CD1 4.4Å
278	F	96.5	Very high	89.2	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.7	-179.9	-73.4	-110.3	0	0	0	109.2	F149 M152 M153 L180 K241 L276 L323 G324 T326	F149-F278 HydrophobicContact CD2-CB 3.95Å; F149-F278 HydrophobicContact CD2-CG 4.31Å; F149-F278 HydrophobicContact CE2-CB 3.72Å; F149-F278 HydrophobicContact CE2-CD1 4.49Å; F149-F278 AromaticContact CE2-CD2 3.94Å; F149-F278 HydrophobicContact CE2-CD2 3.94Å; F149-F278 AromaticContact CE2-CG 3.8Å; F149-F278 HydrophobicContact CE2-CG 3.8Å; F149-F278 HydrophobicContact CZ-CD2 4.27Å; F149-F278 HydrophobicContact CZ-CG 4.43Å; M152-F278 HydrophobicContact CE-CB 4.01Å; M152-F278 HydrophobicContact CE-CD1 3.61Å; M152-F278 HydrophobicContact CE-CE1 4.48Å; M152-F278 HydrophobicContact CE-CG 4.18Å; M152-F278 HydrophobicContact CG-CD1 3.86Å; M152-F278 HydrophobicContact CG-CE1 4.47Å; M152-F278 HydrophobicContact SD-CB 3.95Å; M152-F278 HydrophobicContact SD-CD1 3.74Å; M152-F278 HydrophobicContact SD-CG 4.34Å; M153-F278 HydrophobicContact CG-CD1 4.39Å; M153-F278 HydrophobicContact CG-CE1 3.76Å; M153-F278 HydrophobicContact CG-CZ 4.07Å; L180-F278 HydrophobicContact CD1-CZ 4.03Å; L180-F278 HydrophobicContact CD2-CZ 4.09Å; K241-F278 HydrophobicContact CB-CD1 4.24Å; K241-F278 HydrophobicContact CB-CE1 4.08Å; K241-F278 HydrophobicContact CB-CZ 4.24Å; K241-F278 HydrophobicContact CD-CE1 4.47Å; K241-F278 HydrophobicContact CD-CZ 4.48Å; L276-F278 HydrophobicContact CB-CE2 3.93Å; F278-L323 PolarHBondContact O-N 3.35Å; F278-G324 PolarHBondContact N-O 2.94Å; F278-G324 PolarHBondContact O-N 3.46Å; F278-T326 HydrophobicContact CD2-CG2 3.95Å; F278-T326 HydrophobicContact CE2-CG2 3.36Å; F278-T326 HydrophobicContact CZ-CG2 3.91Å
279	A	96	Very high	89.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151	179.9	0	0	0	0	0	111.8	M152 C240 I247 L251 L320 Q321	M152-A279 WeakPolarHBondContact CE-O 3.38Å; C240-A279 PolarHBondContact N-O 3.22Å; C240-A279 PolarHBondContact O-N 2.74Å; I247-A279 HydrophobicContact CG2-CB 3.93Å; L251-A279 HydrophobicContact CD2-CB 4.02Å; A279-L320 HydrophobicContact CB-CB 3.85Å; A279-L320 HydrophobicContact CB-CD1 4.24Å; A279-Q321 CarbonylContact C-O 3.53Å; A279-Q321 WeakPolarHBondContact CA-O 3.48Å; A279-Q321 WeakPolarHBondContact CB-O 3.28Å
280	V	95.7	Very high	90.3	Very high	17 Å²	17	41 Å²	41	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.1	-176.3	67.6	0	0	0	0	111.1	L238 Y239 Q321 L323	L238-V280 CarbonylContact O-C 3.55Å; L238-V280 VanDerWaalsContact O-CA 3.31Å; L238-V280 WeakPolarHBondContact O-CA 3.43Å; Y239-V280 HydrophobicContact CD1-CB 4.36Å; Y239-V280 HydrophobicContact CD1-CG2 3.85Å; Y239-V280 HydrophobicContact CE1-CG2 3.78Å; V280-Q321 HydrophobicContact CG1-CB 4.27Å; V280-Q321 PolarHBondContact N-O 2.92Å; V280-Q321 WeakPolarHBondContact O-CB 3.38Å; V280-Q321 PolarHBondContact O-N 3.22Å; V280-L323 HydrophobicContact CB-CD1 4.13Å; V280-L323 HydrophobicContact CB-CG 4.39Å; V280-L323 HydrophobicContact CG1-CD1 4.11Å; V280-L323 HydrophobicContact CG1-CD2 3.79Å; V280-L323 HydrophobicContact CG1-CG 3.93Å
281	A	94.8	Very high	91.4	Very high	12 Å²	12	37.5 Å²	37.5	10%	0.099	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.4	167	0	0	0	0	0	110.9	L238 L320	L238-A281 PolarHBondContact N-O 2.7Å; L238-A281 PolarHBondContact O-N 2.91Å; A281-L320 HydrophobicContact CB-CD2 3.8Å
282	D	93.3	Very high	92.3	Very high	108 Å²	108	37.6 Å²	37.6	58%	0.578	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	131	169.2	-74	-30.2	0	0	0	108.8	R237	R237-D282 WeakPolarHBondContact CG-OD1 3.47Å; R237-D282 IonicContact CZ-OD1 2.66Å; R237-D282 IonicContact NE-OD1 2.71Å; R237-D282 PolarHBondContact NE-OD1 2.83Å; R237-D282 IonicContact NH2-OD1 3.94Å
283	I	94	Very high	93	Very high	25 Å²	25	42 Å²	42	13%	0.128	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.9	-179.2	-54.6	-172.8	0	0	0	109.1	I236 L238 I316	I236-I283 HydrophobicContact CB-CB 4.46Å; I236-I283 HydrophobicContact CG2-CB 4.12Å; I236-I283 PolarHBondContact O-N 2.75Å; L238-I283 HydrophobicContact CB-CD1 3.6Å; L238-I283 HydrophobicContact CB-CG1 4.23Å; L238-I283 HydrophobicContact CD1-CD1 3.99Å; L238-I283 HydrophobicContact CG-CD1 4.47Å; I283-I316 HydrophobicContact CD1-CD1 3.67Å; I283-I316 HydrophobicContact CD1-CG1 3.57Å
284	S	94.1	Very high	93.4	Very high	56 Å²	56	44.4 Å²	44.4	39%	0.392	24%	0.238	S	C	.	.			trans	-75.5	150.7	173.7	71.4	0	0	0	0	110.9	S286 S287 Y288	S284-S286 PolarHBondContact O-N 3.33Å; S284-S286 PolarHBondContact OG-OG 3.17Å; S284-S287 PolarHBondContact O-N 3.1Å; S284-S287 VanDerWaalsContact OG-CB 3.25Å; S284-S287 WeakPolarHBondContact OG-CB 3.41Å; S284-S287 PolarHBondContact OG-N 3.44Å; S284-S287 PolarHBondContact OG-OG 3.05Å; S284-Y288 PolarHBondContact O-N 3Å
285	E	92.1	Very high	93.6	Very high	74 Å²	74	45.1 Å²	45.1	35%	0.346	24%	0.242	S	C	.	.	H	α-helix	trans	-57	-39.1	180	-162.4	69.7	-147.4	0	0	111.9	R230 I236 Y288 Q289	R230-E285 IonicContact CZ-OE1 3.12Å; R230-E285 IonicContact CZ-OE2 2.74Å; R230-E285 IonicContact NH1-OE1 3.7Å; R230-E285 IonicContact NH1-OE2 3.5Å; R230-E285 PolarHBondContact NH1-OE2 3.3Å; R230-E285 IonicContact NH2-OE1 2.67Å; R230-E285 PolarHBondContact NH2-OE1 2.88Å; R230-E285 IonicContact NH2-OE2 3.22Å; R230-E285 PolarHBondContact NH2-OE2 3.32Å; I236-E285 VanDerWaalsContact CD1-OE2 3.26Å; I236-E285 WeakPolarHBondContact CD1-OE2 3.48Å; E285-Y288 PolarHBondContact O-N 3.23Å; E285-Q289 WeakPolarHBondContact O-CB 3.34Å; E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 3.36Å
286	S	92.9	Very high	93.7	Very high	82 Å²	82	50 Å²	50	57%	0.573	27%	0.268	S	S	*	.	H	α-helix	trans	-67.4	-42.2	178.3	54	0	0	0	0	112.7	S284 Y288 H290	S284-S286 PolarHBondContact O-N 3.33Å; S284-S286 PolarHBondContact OG-OG 3.17Å; S286-Y288 VanDerWaalsContact C-N 3.34Å; S286-H290 WeakPolarHBondContact O-CB 3.42Å; S286-H290 PolarHBondContact O-N 3.41Å
287	S	92.4	Very high	93.6	Very high	68 Å²	68	57.2 Å²	57.2	48%	0.476	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-39.5	175.7	-67.4	0	0	0	0	111.6	S284 W291	S284-S287 PolarHBondContact O-N 3.1Å; S284-S287 VanDerWaalsContact OG-CB 3.25Å; S284-S287 WeakPolarHBondContact OG-CB 3.41Å; S284-S287 PolarHBondContact OG-N 3.44Å; S284-S287 PolarHBondContact OG-OG 3.05Å; S287-W291 WeakPolarHBondContact O-CB 3.47Å; S287-W291 PolarHBondContact O-N 3.45Å
288	Y	93.9	Very high	93.3	Very high	8 Å²	8	57.5 Å²	57.5	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-47	176.6	175.9	-103.2	0	0	0	112	L213 H214 I228 I236 S284 E285 S286 H290 W291 Q292	L213-Y288 HydrophobicContact CB-CE2 4.31Å; L213-Y288 WeakPolarHBondContact CB-OH 3.4Å; L213-Y288 HydrophobicContact CD1-CD1 4.48Å; L213-Y288 HydrophobicContact CD1-CE1 3.97Å; L213-Y288 HydrophobicContact CD1-CE2 4.08Å; H214-Y288 PolarHBondContact CE1-OH 3.37Å; H214-Y288 PolarHBondContact ND1-OH 3.23Å; I228-Y288 HydrophobicContact CD1-CE2 4.4Å; I228-Y288 HydrophobicContact CG2-CD2 4.05Å; I228-Y288 HydrophobicContact CG2-CE2 3.91Å; I236-Y288 HydrophobicContact CD1-CD1 3.72Å; I236-Y288 HydrophobicContact CD1-CG 3.74Å; I236-Y288 HydrophobicContact CG2-CD2 4.49Å; S284-Y288 PolarHBondContact O-N 3Å; E285-Y288 PolarHBondContact O-N 3.23Å; S286-Y288 VanDerWaalsContact C-N 3.34Å; Y288-H290 VanDerWaalsContact C-N 3.33Å; Y288-H290 PolarHBondContact O-N 3.49Å; Y288-W291 HydrophobicContact CD2-CE3 4.19Å; Y288-W291 HydrophobicContact CE2-CE3 4.01Å; Y288-W291 AromaticContact CE2-CZ3 3.99Å; Y288-W291 HydrophobicContact CE2-CZ3 3.99Å; Y288-W291 PolarHBondContact O-N 2.78Å; Y288-Q292 WeakPolarHBondContact O-CB 3.01Å; Y288-Q292 PolarHBondContact O-N 3.31Å
289	Q	93.5	Very high	92.8	Very high	113 Å²	113	59 Å²	59	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-42.2	177.9	-74.7	-179.9	5.8	0	0	112.1	E285 Q292 E293	E285-Q289 WeakPolarHBondContact O-CB 3.34Å; E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 3.36Å; Q289-Q292 PolarHBondContact O-N 2.88Å; Q289-E293 PolarHBondContact O-N 2.79Å
290	H	93.4	Very high	92.6	Very high	112 Å²	112	63.6 Å²	63.6	52%	0.519	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-45.6	175.9	-177.8	61.7	0	0	0	111.9	S286 Y288 E293 L294	S286-H290 WeakPolarHBondContact O-CB 3.42Å; S286-H290 PolarHBondContact O-N 3.41Å; Y288-H290 VanDerWaalsContact C-N 3.33Å; Y288-H290 PolarHBondContact O-N 3.49Å; H290-E293 PolarHBondContact O-N 3.17Å; H290-L294 PolarHBondContact O-N 3.21Å
291	W	95.1	Very high	92.3	Very high	3 Å²	3	63.5 Å²	63.5	1%	0.011	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-40.1	176.2	174.6	83.4	0	0	0	112.3	H214 L216 I228 S287 Y288 E293 L294 H295 S312 Y313 I316	H214-W291 HydrophobicContact CB-CH2 4.1Å; H214-W291 HydrophobicContact CB-CZ3 4.27Å; H214-W291 AromaticContact CD2-CH2 3.92Å; H214-W291 AromaticContact CG-CH2 3.94Å; H214-W291 AromaticContact CG-CZ3 3.86Å; L216-W291 HydrophobicContact CD2-CH2 3.95Å; L216-W291 HydrophobicContact CD2-CZ2 3.98Å; I228-W291 HydrophobicContact CD1-CE3 4.26Å; I228-W291 HydrophobicContact CD1-CH2 3.76Å; I228-W291 HydrophobicContact CD1-CZ2 4.32Å; I228-W291 HydrophobicContact CD1-CZ3 3.72Å; S287-W291 WeakPolarHBondContact O-CB 3.47Å; S287-W291 PolarHBondContact O-N 3.45Å; Y288-W291 HydrophobicContact CD2-CE3 4.19Å; Y288-W291 HydrophobicContact CE2-CE3 4.01Å; Y288-W291 AromaticContact CE2-CZ3 3.99Å; Y288-W291 HydrophobicContact CE2-CZ3 3.99Å; Y288-W291 PolarHBondContact O-N 2.78Å; W291-E293 VanDerWaalsContact C-N 3.3Å; W291-E293 PolarHBondContact O-N 2.92Å; W291-L294 PolarHBondContact O-N 3.14Å; W291-H295 HydrophobicContact CD2-CB 4.27Å; W291-H295 HydrophobicContact CE3-CB 4.41Å; W291-H295 HydrophobicContact CH2-CB 4.13Å; W291-H295 AromaticContact CH2-CG 3.83Å; W291-H295 HydrophobicContact CZ2-CB 3.98Å; W291-H295 AromaticContact CZ2-CG 3.81Å; W291-H295 AromaticContact CZ2-ND1 3.9Å; W291-H295 HydrophobicContact CZ3-CB 4.34Å; W291-H295 VanDerWaalsContact O-CB 3.3Å; W291-H295 WeakPolarHBondContact O-CB 3.4Å; W291-H295 PolarHBondContact O-N 2.93Å; W291-S312 PolarHBondContact NE1-O 3.35Å; W291-Y313 HydrophobicContact CZ2-CD1 4.42Å; W291-I316 HydrophobicContact CB-CD1 4.02Å; W291-I316 HydrophobicContact CD2-CB 4.33Å; W291-I316 HydrophobicContact CD2-CD1 3.36Å; W291-I316 HydrophobicContact CD2-CG1 4.44Å; W291-I316 HydrophobicContact CD2-CG2 4.46Å; W291-I316 HydrophobicContact CE3-CD1 3.71Å; W291-I316 HydrophobicContact CG-CB 4.09Å; W291-I316 HydrophobicContact CG-CD1 3.49Å; W291-I316 VanDerWaalsContact CG-CD1 3.49Å; W291-I316 HydrophobicContact CG-CG1 4.3Å; W291-I316 HydrophobicContact CZ2-CD1 4.42Å; W291-I316 HydrophobicContact CZ2-CG2 4.05Å; W291-I316 HydrophobicContact CZ3-CD1 4.37Å
292	Q	93.8	Very high	91.8	Very high	84 Å²	84	71 Å²	71	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-40.4	179.6	-175.2	-179.4	18.2	0	0	111.5	Y288 Q289 H295 L296	Y288-Q292 WeakPolarHBondContact O-CB 3.01Å; Y288-Q292 PolarHBondContact O-N 3.31Å; Q289-Q292 PolarHBondContact O-N 2.88Å; Q292-H295 PolarHBondContact O-N 3.24Å; Q292-L296 WeakPolarHBondContact O-CB 3.33Å; Q292-L296 PolarHBondContact O-N 2.81Å
293	E	92.6	Very high	91.5	Very high	99 Å²	99	73.1 Å²	73.1	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-45.4	175.7	-171	-177.4	-179.3	0	0	111.7	Q289 H290 W291 L296 R297	Q289-E293 PolarHBondContact O-N 2.79Å; H290-E293 PolarHBondContact O-N 3.17Å; W291-E293 VanDerWaalsContact C-N 3.3Å; W291-E293 PolarHBondContact O-N 2.92Å; E293-L296 PolarHBondContact O-N 2.79Å; E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.37Å; E293-R297 IonicContact OE1-CZ 3.75Å; E293-R297 IonicContact OE1-NE 2.83Å; E293-R297 IonicContact OE1-NH2 3.73Å; E293-R297 PolarHBondContact OE1-NH2 2.81Å
294	L	91.9	Very high	91	Very high	59 Å²	59	77.3 Å²	77.3	31%	0.309	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-42.9	176.3	-68.3	173.9	0	0	0	111.7	H290 W291 R297 A298	H290-L294 PolarHBondContact O-N 3.21Å; W291-L294 PolarHBondContact O-N 3.14Å; L294-R297 PolarHBondContact O-N 3Å; L294-A298 WeakPolarHBondContact O-CB 3.15Å; L294-A298 PolarHBondContact O-N 2.96Å
295	H	92	Very high	90.7	Very high	20 Å²	20	81.1 Å²	81.1	9%	0.093	41%	0.408	C	S	.	.	H	α-helix	trans	-65.1	-40.1	178.8	-175.9	64.5	0	0	0	111.7	H214 W291 Q292 R297 A298 S299 L309 S312 Y313	H214-H295 AromaticContact CD2-CD2 3.65Å; H214-H295 AromaticContact CD2-NE2 3.86Å; H214-H295 AromaticContact NE2-CD2 3.69Å; W291-H295 HydrophobicContact CD2-CB 4.27Å; W291-H295 HydrophobicContact CE3-CB 4.41Å; W291-H295 HydrophobicContact CH2-CB 4.13Å; W291-H295 AromaticContact CH2-CG 3.83Å; W291-H295 HydrophobicContact CZ2-CB 3.98Å; W291-H295 AromaticContact CZ2-CG 3.81Å; W291-H295 AromaticContact CZ2-ND1 3.9Å; W291-H295 HydrophobicContact CZ3-CB 4.34Å; W291-H295 VanDerWaalsContact O-CB 3.3Å; W291-H295 WeakPolarHBondContact O-CB 3.4Å; W291-H295 PolarHBondContact O-N 2.93Å; Q292-H295 PolarHBondContact O-N 3.24Å; H295-R297 PolarHBondContact O-N 3.16Å; H295-A298 WeakPolarHBondContact O-CB 3.07Å; H295-A298 PolarHBondContact O-N 2.82Å; H295-S299 WeakPolarHBondContact O-CB 3.37Å; H295-S299 PolarHBondContact O-N 3.14Å; H295-S299 PolarHBondContact O-OG 3.17Å; H295-L309 VanDerWaalsContact CE1-CD2 3.43Å; H295-L309 WeakPolarHBondContact CE1-CD2 3.17Å; H295-S312 PolarHBondContact ND1-OG 3.45Å; H295-S312 VanDerWaalsContact ND1-OG 3.15Å; H295-Y313 AromaticContact CE1-CE1 3.38Å; H295-Y313 WeakPolarHBondContact CE1-CE1 3.31Å; H295-Y313 AromaticContact ND1-CE1 3.7Å
296	L	91.6	Very high	90.2	Very high	105 Å²	105	81.3 Å²	81.3	55%	0.55	42%	0.423	S	S	.	.	H	α-helix	trans	-63.8	-40.4	174.7	-176.4	64.7	0	0	0	111.9	Q292 E293 A298 S299 T300	Q292-L296 WeakPolarHBondContact O-CB 3.33Å; Q292-L296 PolarHBondContact O-N 2.81Å; E293-L296 PolarHBondContact O-N 2.79Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-S299 WeakPolarHBondContact CA-OG 3.43Å; L296-S299 PolarHBondContact O-N 3.09Å; L296-S299 PolarHBondContact O-OG 3.27Å; L296-T300 HydrophobicContact CD1-CG2 4.29Å; L296-T300 WeakPolarHBondContact O-CB 3.4Å; L296-T300 WeakPolarHBondContact O-CG2 3.29Å; L296-T300 PolarHBondContact O-N 3.44Å; L296-T300 PolarHBondContact O-OG1 3.38Å
297	R	90.1	Very high	89.9	Confident	155 Å²	155	82.7 Å²	82.7	59%	0.585	42%	0.423	S	S	*	.	H	α-helix	trans	-64.9	-37.5	173.6	-68.4	173.4	-174.7	-168.4	2.8	111.8	E293 L294 H295 T300 A301	E293-R297 WeakPolarHBondContact O-CG 3.42Å; E293-R297 PolarHBondContact O-N 3.37Å; E293-R297 IonicContact OE1-CZ 3.75Å; E293-R297 IonicContact OE1-NE 2.83Å; E293-R297 IonicContact OE1-NH2 3.73Å; E293-R297 PolarHBondContact OE1-NH2 2.81Å; L294-R297 PolarHBondContact O-N 3Å; H295-R297 PolarHBondContact O-N 3.16Å; R297-T300 PolarHBondContact O-OG1 3.47Å; R297-A301 PolarHBondContact O-N 2.89Å
298	A	89.8	Confident	89.8	Confident	7 Å²	7	83.8 Å²	83.8	6%	0.058	42%	0.419	C	S	.	.	H	α-helix	trans	-68.6	-41.3	175.6	0	0	0	0	0	112	L294 H295 L296 A301 K308 L309	L294-A298 WeakPolarHBondContact O-CB 3.15Å; L294-A298 PolarHBondContact O-N 2.96Å; H295-A298 WeakPolarHBondContact O-CB 3.07Å; H295-A298 PolarHBondContact O-N 2.82Å; L296-A298 VanDerWaalsContact C-N 3.32Å; A298-A301 WeakPolarHBondContact O-CB 3.28Å; A298-A301 PolarHBondContact O-N 2.81Å; A298-K308 HydrophobicContact CB-CB 3.9Å; A298-L309 HydrophobicContact CB-CD2 4Å; A298-L309 HydrophobicContact CB-CG 4.39Å
299	S	86.9	Confident	89.5	Confident	31 Å²	31	84.5 Å²	84.5	22%	0.217	42%	0.423	C	S	.	.	H	α-helix	trans	-72.2	-30.4	-177.7	70.3	0	0	0	0	113.5	H295 L296 R305	H295-S299 WeakPolarHBondContact O-CB 3.37Å; H295-S299 PolarHBondContact O-N 3.14Å; H295-S299 PolarHBondContact O-OG 3.17Å; L296-S299 WeakPolarHBondContact CA-OG 3.43Å; L296-S299 PolarHBondContact O-N 3.09Å; L296-S299 PolarHBondContact O-OG 3.27Å; S299-R305 PolarHBondContact O-NE 2.9Å
300	T	90.1	Very high	89.2	Confident	98 Å²	98	81.8 Å²	81.8	60%	0.601	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.5	176	55.6	0	0	0	0	113.7	L296 R297 I302	L296-T300 HydrophobicContact CD1-CG2 4.29Å; L296-T300 WeakPolarHBondContact O-CB 3.4Å; L296-T300 WeakPolarHBondContact O-CG2 3.29Å; L296-T300 PolarHBondContact O-N 3.44Å; L296-T300 PolarHBondContact O-OG1 3.38Å; R297-T300 PolarHBondContact O-OG1 3.47Å; T300-I302 PolarHBondContact O-N 3.04Å
301	A	90.2	Very high	89	Confident	15 Å²	15	83.1 Å²	83.1	12%	0.124	42%	0.417	C	S	.	.			trans	-66.4	131.2	179.8	0	0	0	0	0	111.9	R297 A298 R305 K308	R297-A301 PolarHBondContact O-N 2.89Å; A298-A301 WeakPolarHBondContact O-CB 3.28Å; A298-A301 PolarHBondContact O-N 2.81Å; A301-R305 WeakPolarHBondContact O-CB 3.36Å; A301-K308 HydrophobicContact CB-CD 3.77Å
302	I	84.3	Confident	88.9	Confident	170 Å²	170	83.5 Å²	83.5	87%	0.872	42%	0.42	S	S	*	.	S	Bend	trans	-78.5	-39	177.2	-58.3	172.4	0	0	0	111	T300	T300-I302 PolarHBondContact O-N 3.04Å
303	Q	86.4	Confident	88.8	Confident	152 Å²	152	81 Å²	81	71%	0.71	41%	0.408	S	S	*	.	S	Bend	trans	-105.6	138	-179.9	-65.2	-178.7	-1.2	0	0	111.5	R305 K308	Q303-R305 PolarHBondContact O-N 2.87Å; Q303-K308 PolarHBondContact O-NZ 3.35Å
304	N	84.6	Confident	88.7	Confident	112 Å²	112	78.9 Å²	78.9	60%	0.599	40%	0.397	S	S	*	.	S	Bend	trans	51.9	35.7	178.3	-65.6	-21.6	0	0	0	113.6	A306 L307 K308	N304-A306 VanDerWaalsContact C-N 3.32Å; N304-A306 PolarHBondContact O-N 2.9Å; N304-L307 HydrophobicContact CB-CB 4.44Å; N304-L307 HydrophobicContact CB-CD1 4.3Å; N304-L307 PolarHBondContact O-N 3.02Å; N304-K308 WeakPolarHBondContact O-CG 3.04Å; N304-K308 PolarHBondContact O-N 3.44Å
305	R	86.1	Confident	88.7	Confident	136 Å²	136	80.7 Å²	80.7	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-51.8	-49	-179.1	-173.6	-179.8	166.3	-172.4	-3.3	112.1	S299 A301 Q303 L307 K308 L309	S299-R305 PolarHBondContact O-NE 2.9Å; A301-R305 WeakPolarHBondContact O-CB 3.36Å; Q303-R305 PolarHBondContact O-N 2.87Å; R305-L307 PolarHBondContact O-N 2.79Å; R305-K308 PolarHBondContact O-N 3.32Å; R305-L309 HydrophobicContact CG-CD1 3.92Å; R305-L309 HydrophobicContact CG-CG 4.39Å; R305-L309 WeakPolarHBondContact O-CB 3.45Å; R305-L309 VanDerWaalsContact O-CG 3.27Å; R305-L309 WeakPolarHBondContact O-CG 3.43Å; R305-L309 PolarHBondContact O-N 3.21Å
306	A	83.5	Confident	88.7	Confident	79 Å²	79	80.6 Å²	80.6	65%	0.653	41%	0.407	S	S	*	.	H	α-helix	trans	-60.7	-43.8	-178.1	0	0	0	0	0	112.8	N304 L309 E310	N304-A306 VanDerWaalsContact C-N 3.32Å; N304-A306 PolarHBondContact O-N 2.9Å; A306-L309 PolarHBondContact O-N 2.69Å; A306-E310 PolarHBondContact O-N 2.74Å
307	L	86.8	Confident	88.8	Confident	110 Å²	110	75.6 Å²	75.6	58%	0.576	38%	0.381	S	S	*	.	H	α-helix	trans	-65.6	-45.3	177.8	-73.5	166.4	0	0	0	111.8	N304 R305 L309 E310 E311	N304-L307 HydrophobicContact CB-CB 4.44Å; N304-L307 HydrophobicContact CB-CD1 4.3Å; N304-L307 PolarHBondContact O-N 3.02Å; R305-L307 PolarHBondContact O-N 2.79Å; L307-L309 VanDerWaalsContact C-N 3.3Å; L307-L309 PolarHBondContact O-N 3.39Å; L307-E310 WeakPolarHBondContact O-CB 3.32Å; L307-E310 PolarHBondContact O-N 2.84Å; L307-E311 WeakPolarHBondContact O-CG 3.43Å; L307-E311 PolarHBondContact O-N 3.24Å
308	K	88.9	Confident	88.8	Confident	92 Å²	92	74 Å²	74	40%	0.4	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-36.4	178.2	-69.9	175.8	178.2	170.6	0	112.4	A298 A301 Q303 N304 R305 S312	A298-K308 HydrophobicContact CB-CB 3.9Å; A301-K308 HydrophobicContact CB-CD 3.77Å; Q303-K308 PolarHBondContact O-NZ 3.35Å; N304-K308 WeakPolarHBondContact O-CG 3.04Å; N304-K308 PolarHBondContact O-N 3.44Å; R305-K308 PolarHBondContact O-N 3.32Å; K308-S312 PolarHBondContact O-N 2.63Å
309	L	88.3	Confident	88.9	Confident	23 Å²	23	79.5 Å²	79.5	12%	0.12	41%	0.407	C	S	.	.	H	α-helix	trans	-63.8	-45.7	173.7	-75.7	172.8	0	0	0	110.6	H295 A298 R305 A306 L307 E311 S312 Y313	H295-L309 VanDerWaalsContact CE1-CD2 3.43Å; H295-L309 WeakPolarHBondContact CE1-CD2 3.17Å; A298-L309 HydrophobicContact CB-CD2 4Å; A298-L309 HydrophobicContact CB-CG 4.39Å; R305-L309 HydrophobicContact CG-CD1 3.92Å; R305-L309 HydrophobicContact CG-CG 4.39Å; R305-L309 WeakPolarHBondContact O-CB 3.45Å; R305-L309 VanDerWaalsContact O-CG 3.27Å; R305-L309 WeakPolarHBondContact O-CG 3.43Å; R305-L309 PolarHBondContact O-N 3.21Å; A306-L309 PolarHBondContact O-N 2.69Å; L307-L309 VanDerWaalsContact C-N 3.3Å; L307-L309 PolarHBondContact O-N 3.39Å; L309-E311 PolarHBondContact O-N 3.21Å; L309-S312 WeakPolarHBondContact O-CB 3.48Å; L309-S312 PolarHBondContact O-N 3Å; L309-S312 VanDerWaalsContact O-N 3.13Å; L309-S312 PolarHBondContact O-OG 3.25Å; L309-Y313 HydrophobicContact CB-CE2 4.12Å; L309-Y313 WeakPolarHBondContact O-CD1 3.42Å; L309-Y313 VanDerWaalsContact O-CD2 3.31Å; L309-Y313 WeakPolarHBondContact O-CD2 3.28Å; L309-Y313 PolarHBondContact O-N 2.98Å
310	E	87.6	Confident	89.2	Confident	56 Å²	56	78 Å²	78	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-47	176.3	-169.9	59.5	-142.6	0	0	112.3	R222 R224 A306 L307 S312 Y313 E314	R222-E310 WeakPolarHBondContact CD-OE2 3.47Å; R222-E310 VanDerWaalsContact CG-OE1 3.28Å; R222-E310 WeakPolarHBondContact CG-OE1 3.34Å; R222-E310 WeakPolarHBondContact CG-OE2 3.41Å; R222-E310 IonicContact NE-OE1 2.69Å; R222-E310 PolarHBondContact NE-OE1 3.45Å; R222-E310 VanDerWaalsContact NE-OE1 3.12Å; R222-E310 IonicContact NE-OE2 2.98Å; R222-E310 PolarHBondContact NE-OE2 3.4Å; R224-E310 IonicContact NH2-OE1 3.95Å; A306-E310 PolarHBondContact O-N 2.74Å; L307-E310 WeakPolarHBondContact O-CB 3.32Å; L307-E310 PolarHBondContact O-N 2.84Å; E310-S312 VanDerWaalsContact C-N 3.26Å; E310-S312 PolarHBondContact O-N 2.98Å; E310-Y313 WeakPolarHBondContact O-CB 3.46Å; E310-Y313 PolarHBondContact O-N 3.19Å; E310-E314 PolarHBondContact O-N 3.38Å
311	E	89.6	Confident	89.5	Confident	139 Å²	139	76.6 Å²	76.6	65%	0.65	38%	0.383	S	S	*	.	H	α-helix	trans	-58.6	-39.4	175.5	-72.2	177.2	176.4	0	0	111.8	L307 L309 Y313 L315	L307-E311 WeakPolarHBondContact O-CG 3.43Å; L307-E311 PolarHBondContact O-N 3.24Å; L309-E311 PolarHBondContact O-N 3.21Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; E311-L315 PolarHBondContact O-N 3.18Å
312	S	92.2	Very high	89.7	Confident	11 Å²	11	76.1 Å²	76.1	8%	0.077	38%	0.378	C	S	.	.	H	α-helix	trans	-64.7	-39.1	175.3	82.3	0	0	0	0	112	W291 H295 K308 L309 E310 L315	W291-S312 PolarHBondContact NE1-O 3.35Å; H295-S312 PolarHBondContact ND1-OG 3.45Å; H295-S312 VanDerWaalsContact ND1-OG 3.15Å; K308-S312 PolarHBondContact O-N 2.63Å; L309-S312 WeakPolarHBondContact O-CB 3.48Å; L309-S312 PolarHBondContact O-N 3Å; L309-S312 VanDerWaalsContact O-N 3.13Å; L309-S312 PolarHBondContact O-OG 3.25Å; E310-S312 VanDerWaalsContact C-N 3.26Å; E310-S312 PolarHBondContact O-N 2.98Å; S312-L315 PolarHBondContact O-N 2.97Å
313	Y	91.7	Very high	90.2	Very high	33 Å²	33	68.6 Å²	68.6	13%	0.129	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-43.7	178.8	-57.7	-27.7	0	0	0	111.6	L216 W291 H295 L309 E310 E311 L315 I316 E317	L216-Y313 HydrophobicContact CB-CD1 4.46Å; L216-Y313 HydrophobicContact CD1-CD1 3.84Å; L216-Y313 HydrophobicContact CD1-CG 4.24Å; L216-Y313 HydrophobicContact CD2-CD1 3.62Å; L216-Y313 HydrophobicContact CD2-CE1 3.47Å; L216-Y313 VanDerWaalsContact CD2-CE1 3.47Å; L216-Y313 HydrophobicContact CG-CD1 4.18Å; L216-Y313 HydrophobicContact CG-CE1 4.38Å; W291-Y313 HydrophobicContact CZ2-CD1 4.42Å; H295-Y313 AromaticContact CE1-CE1 3.38Å; H295-Y313 WeakPolarHBondContact CE1-CE1 3.31Å; H295-Y313 AromaticContact ND1-CE1 3.7Å; L309-Y313 HydrophobicContact CB-CE2 4.12Å; L309-Y313 WeakPolarHBondContact O-CD1 3.42Å; L309-Y313 VanDerWaalsContact O-CD2 3.31Å; L309-Y313 WeakPolarHBondContact O-CD2 3.28Å; L309-Y313 PolarHBondContact O-N 2.98Å; E310-Y313 WeakPolarHBondContact O-CB 3.46Å; E310-Y313 PolarHBondContact O-N 3.19Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; Y313-L315 PolarHBondContact O-N 3.31Å; Y313-I316 WeakPolarHBondContact O-CG2 3.31Å; Y313-I316 PolarHBondContact O-N 2.99Å; Y313-E317 WeakPolarHBondContact O-CB 3.27Å; Y313-E317 WeakPolarHBondContact O-CG 3.47Å; Y313-E317 PolarHBondContact O-N 2.85Å
314	E	90.1	Very high	90.6	Very high	53 Å²	53	61.4 Å²	61.4	25%	0.248	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-26.4	178.3	-163	60.8	-151	0	0	112.6	R224 R250 E310 K318	R224-E314 IonicContact CZ-OE2 2.97Å; R224-E314 IonicContact NH2-OE2 3.6Å; R224-E314 PolarHBondContact NH2-OE2 3.15Å; R250-E314 IonicContact CZ-OE1 2.75Å; R250-E314 IonicContact CZ-OE2 2.7Å; R250-E314 IonicContact NE-OE1 2.78Å; R250-E314 PolarHBondContact NE-OE1 3.47Å; R250-E314 IonicContact NE-OE2 3.56Å; R250-E314 PolarHBondContact NE-OE2 3.29Å; R250-E314 IonicContact NH2-OE1 2.7Å; R250-E314 PolarHBondContact NH2-OE1 2.87Å; R250-E314 IonicContact NH2-OE2 2.74Å; R250-E314 PolarHBondContact NH2-OE2 3.5Å; E310-E314 PolarHBondContact O-N 3.38Å; E314-K318 WeakPolarHBondContact O-CE 3.03Å; E314-K318 WeakPolarHBondContact O-CG 3.35Å
315	L	91.3	Very high	91.1	Very high	97 Å²	97	56 Å²	56	51%	0.508	28%	0.277	S	S	.	.	H	α-helix	trans	-71.8	-35.9	178.1	-169.7	133	0	0	0	112.9	E311 S312 Y313	E311-L315 PolarHBondContact O-N 3.18Å; S312-L315 PolarHBondContact O-N 2.97Å; Y313-L315 PolarHBondContact O-N 3.31Å
316	I	93.4	Very high	91.5	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-92	-26.6	-177.7	-163	158.2	0	0	0	113.2	L216 I228 L238 I283 W291 Y313 K318	L216-I316 HydrophobicContact CD1-CG2 3.97Å; I228-I316 HydrophobicContact CD1-CD1 3.57Å; I228-I316 HydrophobicContact CD1-CG1 4.47Å; L238-I316 HydrophobicContact CD1-CB 4.47Å; L238-I316 HydrophobicContact CD1-CG1 3.88Å; L238-I316 HydrophobicContact CD1-CG2 4.07Å; I283-I316 HydrophobicContact CD1-CD1 3.67Å; I283-I316 HydrophobicContact CD1-CG1 3.57Å; W291-I316 HydrophobicContact CB-CD1 4.02Å; W291-I316 HydrophobicContact CD2-CB 4.33Å; W291-I316 HydrophobicContact CD2-CD1 3.36Å; W291-I316 HydrophobicContact CD2-CG1 4.44Å; W291-I316 HydrophobicContact CD2-CG2 4.46Å; W291-I316 HydrophobicContact CE3-CD1 3.71Å; W291-I316 HydrophobicContact CG-CB 4.09Å; W291-I316 HydrophobicContact CG-CD1 3.49Å; W291-I316 VanDerWaalsContact CG-CD1 3.49Å; W291-I316 HydrophobicContact CG-CG1 4.3Å; W291-I316 HydrophobicContact CZ2-CD1 4.42Å; W291-I316 HydrophobicContact CZ2-CG2 4.05Å; W291-I316 HydrophobicContact CZ3-CD1 4.37Å; Y313-I316 WeakPolarHBondContact O-CG2 3.31Å; Y313-I316 PolarHBondContact O-N 2.99Å; I316-K318 PolarHBondContact O-N 3.4Å; I316-K318 VanDerWaalsContact O-N 3.09Å
317	E	93.2	Very high	91.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-86.3	49.5	179.9	-64.3	173.4	153.4	0	0	112.6	L216 R222 R224 S226 L238 R250 Y313	L216-E317 HydrophobicContact CD1-CG 4.18Å; R222-E317 IonicContact CZ-OE1 2.72Å; R222-E317 IonicContact CZ-OE2 3.49Å; R222-E317 IonicContact NH2-OE1 2.68Å; R222-E317 PolarHBondContact NH2-OE1 3.25Å; R222-E317 IonicContact NH2-OE2 2.69Å; R222-E317 PolarHBondContact NH2-OE2 3Å; R224-E317 IonicContact CZ-OE2 2.66Å; R224-E317 IonicContact NE-OE1 3.88Å; R224-E317 IonicContact NE-OE2 3.12Å; R224-E317 PolarHBondContact NE-OE2 2.83Å; R224-E317 IonicContact NH2-OE2 3.08Å; R224-E317 PolarHBondContact NH2-OE2 2.99Å; S226-E317 WeakPolarHBondContact CB-OE1 3.41Å; S226-E317 PolarHBondContact OG-OE1 3.06Å; L238-E317 HydrophobicContact CD1-CG 4.21Å; R250-E317 WeakPolarHBondContact CB-O 3.48Å; R250-E317 WeakPolarHBondContact CD-O 3.49Å; R250-E317 WeakPolarHBondContact CG-O 3.44Å; Y313-E317 WeakPolarHBondContact O-CB 3.27Å; Y313-E317 WeakPolarHBondContact O-CG 3.47Å; Y313-E317 PolarHBondContact O-N 2.85Å
318	K	89.8	Confident	92	Very high	120 Å²	120	40.6 Å²	40.6	52%	0.522	20%	0.195	S	C	.	.			trans	-120.6	160.1	176.4	-68.6	-172.1	178.6	-174.4	0	111.6	E314 I316 L320	E314-K318 WeakPolarHBondContact O-CE 3.03Å; E314-K318 WeakPolarHBondContact O-CG 3.35Å; I316-K318 PolarHBondContact O-N 3.4Å; I316-K318 VanDerWaalsContact O-N 3.09Å; K318-L320 VanDerWaalsContact C-N 3.27Å; K318-L320 PolarHBondContact O-N 2.88Å
319	N	91.4	Very high	91.9	Very high	124 Å²	124	38.9 Å²	38.9	66%	0.663	19%	0.188	S	C	*	.	S	Bend	trans	58.6	37.1	177.9	-56.6	-38.4	0	0	0	113.2	R250 A252	R250-N319 PolarHBondContact O-N 3.38Å; A252-N319 HydrophobicContact CB-CB 4.29Å
320	L	94.4	Very high	91.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-68.9	147.5	-179.4	-56.5	178.1	0	0	0	111	L238 C240 R250 L251 A252 A279 A281 K318	L238-L320 HydrophobicContact CD2-CD2 3.63Å; C240-L320 HydrophobicContact CB-CD1 4.06Å; R250-L320 HydrophobicContact CB-CD1 3.89Å; R250-L320 HydrophobicContact CB-CG 4.33Å; R250-L320 PolarHBondContact O-N 3.14Å; L251-L320 CarbonylContact C-O 3.59Å; L251-L320 VanDerWaalsContact CA-O 3.27Å; L251-L320 WeakPolarHBondContact CA-O 3.37Å; L251-L320 HydrophobicContact CD2-CB 4.07Å; L251-L320 WeakPolarHBondContact CD2-O 3.24Å; A252-L320 PolarHBondContact N-O 2.91Å; A279-L320 HydrophobicContact CB-CB 3.85Å; A279-L320 HydrophobicContact CB-CD1 4.24Å; A281-L320 HydrophobicContact CB-CD2 3.8Å; K318-L320 VanDerWaalsContact C-N 3.27Å; K318-L320 PolarHBondContact O-N 2.88Å
321	Q	95	Very high	91.8	Very high	67 Å²	67	38.1 Å²	38.1	31%	0.313	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.4	172.8	-68.4	-67.3	-23.6	0	0	109.4	S254 S255 A279 V280 L323	S254-Q321 PolarHBondContact OG-NE2 3.16Å; S254-Q321 VanDerWaalsContact OG-NE2 3.11Å; S255-Q321 PolarHBondContact OG-OE1 3.47Å; A279-Q321 CarbonylContact C-O 3.53Å; A279-Q321 WeakPolarHBondContact CA-O 3.48Å; A279-Q321 WeakPolarHBondContact CB-O 3.28Å; V280-Q321 HydrophobicContact CG1-CB 4.27Å; V280-Q321 PolarHBondContact N-O 2.92Å; V280-Q321 WeakPolarHBondContact O-CB 3.38Å; V280-Q321 PolarHBondContact O-N 3.22Å; Q321-L323 PolarHBondContact O-N 2.65Å
322	L	95.4	Very high	91.9	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124.7	179.8	-172.7	67.6	0	0	0	110.5	I247 Y248 L251 S255 T261 C277	I247-L322 HydrophobicContact CG2-CD1 4.43Å; Y248-L322 HydrophobicContact CE2-CD2 4.38Å; L251-L322 HydrophobicContact CD1-CB 3.99Å; L251-L322 HydrophobicContact CD1-CD1 4.43Å; L251-L322 HydrophobicContact CD1-CD2 4.23Å; L251-L322 HydrophobicContact CD1-CG 4.46Å; L251-L322 HydrophobicContact CD2-CB 3.76Å; L251-L322 HydrophobicContact CD2-CD1 4.42Å; S255-L322 PolarHBondContact OG-N 2.96Å; T261-L322 HydrophobicContact CG2-CD2 4.02Å; C277-L322 HydrophobicContact CB-CD1 4.4Å
323	L	94.9	Very high	91.9	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-42.5	172.2	-63.3	177.1	0	0	0	110.9	A111 V145 E148 F149 M152 F278 V280 Q321	A111-L323 PolarHBondContact N-O 3.2Å; V145-L323 HydrophobicContact CG1-CB 4.44Å; V145-L323 HydrophobicContact CG1-CD2 3.93Å; E148-L323 HydrophobicContact CB-CD1 4.36Å; E148-L323 HydrophobicContact CB-CD2 4.33Å; E148-L323 HydrophobicContact CG-CD1 3.88Å; E148-L323 HydrophobicContact CG-CD2 4.13Å; F149-L323 HydrophobicContact CB-CB 4.41Å; F149-L323 HydrophobicContact CD2-CB 3.91Å; M152-L323 HydrophobicContact SD-CD1 3.88Å; F278-L323 PolarHBondContact O-N 3.35Å; V280-L323 HydrophobicContact CB-CD1 4.13Å; V280-L323 HydrophobicContact CB-CG 4.39Å; V280-L323 HydrophobicContact CG1-CD1 4.11Å; V280-L323 HydrophobicContact CG1-CD2 3.79Å; V280-L323 HydrophobicContact CG1-CG 3.93Å; Q321-L323 PolarHBondContact O-N 2.65Å
324	G	95.2	Very high	91.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-164.5	-173.8	0	0	0	0	0	113.4	T109 F278	T109-G324 CarbonylContact O-C 3.42Å; T109-G324 WeakPolarHBondContact O-CA 3.49Å; F278-G324 PolarHBondContact N-O 2.94Å; F278-G324 PolarHBondContact O-N 3.46Å
325	A	95	Very high	92	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.7	174.5	0	0	0	0	0	112.2	C108 T109 T261 L265 L276	C108-A325 CarbonylContact C-O 3.5Å; C108-A325 VanDerWaalsContact CA-O 3.28Å; C108-A325 WeakPolarHBondContact CA-O 3.29Å; C108-A325 WeakPolarHBondContact CB-O 3.36Å; T109-A325 HydrophobicContact CG2-CB 3.71Å; T109-A325 PolarHBondContact N-O 3.36Å; T109-A325 PolarHBondContact O-N 3.16Å; T261-A325 HydrophobicContact CG2-CB 4.07Å; L265-A325 HydrophobicContact CD1-CB 4.45Å; L265-A325 HydrophobicContact CD2-CB 3.58Å; L265-A325 HydrophobicContact CG-CB 4.12Å; L276-A325 CarbonylContact O-C 3.59Å; L276-A325 WeakPolarHBondContact O-CA 3.45Å; L276-A325 VanDerWaalsContact O-CB 3.26Å; L276-A325 WeakPolarHBondContact O-CB 3.08Å
326	T	94.2	Very high	92.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	162.3	175.7	64.6	0	0	0	0	110.8	F105 F149 M153 L180 T275 L276 F278	F105-T326 HydrophobicContact CE2-CG2 3.54Å; F105-T326 HydrophobicContact CZ-CG2 4.02Å; F149-T326 HydrophobicContact CE1-CG2 4.11Å; F149-T326 HydrophobicContact CE2-CG2 4.49Å; F149-T326 HydrophobicContact CZ-CG2 3.52Å; M153-T326 HydrophobicContact SD-CG2 4.02Å; L180-T326 HydrophobicContact CD2-CG2 3.81Å; T275-T326 VanDerWaalsContact CA-O 3.28Å; T275-T326 WeakPolarHBondContact CA-O 3.36Å; L276-T326 PolarHBondContact N-O 3.49Å; L276-T326 VanDerWaalsContact N-O 3.14Å; L276-T326 PolarHBondContact O-N 3.23Å; F278-T326 HydrophobicContact CD2-CG2 3.95Å; F278-T326 HydrophobicContact CE2-CG2 3.36Å; F278-T326 HydrophobicContact CZ-CG2 3.91Å
327	A	91.2	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	117.8	175.2	0	0	0	0	0	110	K106 K107 F268 L273 R274	K106-A327 PolarHBondContact N-O 3.3Å; K107-A327 HydrophobicContact CB-CB 3.99Å; K107-A327 PolarHBondContact N-O 3.23Å; K107-A327 PolarHBondContact O-N 2.62Å; F268-A327 HydrophobicContact CB-CB 4.02Å; F268-A327 HydrophobicContact CD1-CB 4.42Å; F268-A327 HydrophobicContact CD2-CB 3.67Å; F268-A327 HydrophobicContact CE2-CB 4.19Å; F268-A327 HydrophobicContact CG-CB 3.79Å; L273-A327 HydrophobicContact CB-CB 3.88Å; L273-A327 HydrophobicContact CD1-CB 3.7Å; L273-A327 HydrophobicContact CG-CB 4.4Å; R274-A327 CarbonylContact O-C 3.42Å; R274-A327 WeakPolarHBondContact O-CA 3.4Å
328	I	89.8	Confident	92.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.5	-176.2	-57.3	173.8	0	0	0	108.6	M103 Q104 F105 D176 A179 L180 R274 L276	M103-I328 HydrophobicContact CB-CG2 3.89Å; Q104-I328 CarbonylContact O-C 3.52Å; Q104-I328 WeakPolarHBondContact O-CA 3.32Å; F105-I328 HydrophobicContact CD2-CG1 4.4Å; D176-I328 HydrophobicContact CB-CD1 4.01Å; A179-I328 HydrophobicContact CB-CG2 4.26Å; L180-I328 HydrophobicContact CD1-CD1 4.45Å; L180-I328 HydrophobicContact CD2-CD1 4.01Å; L180-I328 HydrophobicContact CG-CD1 3.91Å; R274-I328 HydrophobicContact CB-CB 4.47Å; R274-I328 WeakPolarHBondContact CB-O 3.3Å; R274-I328 PolarHBondContact N-O 3.22Å; R274-I328 PolarHBondContact O-N 2.67Å; L276-I328 HydrophobicContact CD1-CD1 4.47Å
329	E	87.1	Confident	92.5	Very high	55 Å²	55	32.5 Å²	32.5	26%	0.257	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.7	174.5	179.4	174.8	-155.7	0	0	110.1	M103 Q104 K106 L273 K331	M103-E329 WeakPolarHBondContact CA-O 3.31Å; Q104-E329 PolarHBondContact N-O 3.38Å; Q104-E329 PolarHBondContact O-N 2.59Å; K106-E329 HydrophobicContact CD-CB 4.41Å; K106-E329 WeakPolarHBondContact CD-OE2 3.25Å; K106-E329 WeakPolarHBondContact CE-OE2 3.49Å; K106-E329 HydrophobicContact CG-CB 3.55Å; K106-E329 WeakPolarHBondContact CG-OE2 3.46Å; K106-E329 IonicContact NZ-OE2 2.91Å; K106-E329 PolarHBondContact NZ-OE2 3.35Å; L273-E329 HydrophobicContact CD2-CB 3.67Å; L273-E329 HydrophobicContact CD2-CG 4.3Å; E329-K331 PolarHBondContact O-N 3.03Å
330	D	87	Confident	92.7	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.032	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	99.7	161	-176.2	-2.5	0	0	0	107	K94 T99 M103 R274 L332 I364	K94-D330 IonicContact NZ-OD2 2.68Å; T99-D330 VanDerWaalsContact CB-OD1 3.26Å; T99-D330 WeakPolarHBondContact CB-OD1 3.02Å; T99-D330 PolarHBondContact OG1-OD1 2.77Å; M103-D330 HydrophobicContact CE-CB 4.02Å; M103-D330 HydrophobicContact SD-CB 3.6Å; M103-D330 VanDerWaalsContact SD-CB 3.6Å; R274-D330 IonicContact CZ-OD2 3.37Å; R274-D330 IonicContact NH2-OD2 2.88Å; R274-D330 PolarHBondContact NH2-OD2 3.48Å; D330-L332 PolarHBondContact O-N 3.39Å; D330-L332 VanDerWaalsContact O-N 3.17Å; D330-I364 HydrophobicContact CB-CD1 3.98Å
331	K	86.8	Confident	92.6	Very high	58 Å²	58	30.3 Å²	30.3	25%	0.252	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	120.5	-168.4	-172.4	173.1	-178.7	177.1	0	109.8	T99 C100 V102 E123 E329	T99-K331 WeakPolarHBondContact CA-O 2.99Å; C100-K331 PolarHBondContact N-O 3.05Å; V102-K331 WeakPolarHBondContact O-CB 3.39Å; V102-K331 PolarHBondContact O-N 2.7Å; E123-K331 IonicContact OE2-NZ 3.42Å; E123-K331 PolarHBondContact OE2-NZ 3.33Å; E329-K331 PolarHBondContact O-N 3.03Å
332	L	91	Very high	92.6	Very high	22 Å²	22	28 Å²	28	12%	0.115	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	154.7	169.7	-61.8	-177	0	0	0	110.4	L98 T99 D330 V336 P337 I364 C368	L98-L332 WeakPolarHBondContact O-CA 3.16Å; T99-L332 HydrophobicContact CG2-CD2 4.01Å; D330-L332 PolarHBondContact O-N 3.39Å; D330-L332 VanDerWaalsContact O-N 3.17Å; L332-V336 HydrophobicContact CB-CB 4.33Å; L332-V336 HydrophobicContact CD1-CG1 4.46Å; L332-P337 HydrophobicContact CD1-CG 3.78Å; L332-I364 HydrophobicContact CD2-CD1 4.06Å; L332-I364 HydrophobicContact CD2-CG2 4.18Å; L332-C368 HydrophobicContact CD1-CB 4.11Å
333	Q	91.3	Very high	92.5	Very high	12 Å²	12	27.7 Å²	27.7	6%	0.056	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-61.4	159.4	165.5	-65.1	-168.6	6.3	0	0	110.9	G96 T97 L98 C100 K335 V336	G96-Q333 PolarHBondContact O-NE2 2.79Å; T97-Q333 PolarHBondContact O-NE2 2.95Å; T97-Q333 PolarHBondContact O-OE1 3.42Å; L98-Q333 PolarHBondContact O-N 2.89Å; C100-Q333 VanDerWaalsContact SG-CA 3.58Å; Q333-K335 PolarHBondContact O-N 3.04Å; Q333-V336 HydrophobicContact CB-CG2 3.62Å; Q333-V336 VanDerWaalsContact O-CG2 3.3Å; Q333-V336 WeakPolarHBondContact O-CG2 3.16Å; Q333-V336 PolarHBondContact O-N 3.25Å
334	D	91.5	Very high	92.4	Very high	81 Å²	81	29.3 Å²	29.3	43%	0.433	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.4	-178.3	-177.9	36.9	0	0	0	111	V336 K507	D334-V336 PolarHBondContact O-N 3.3Å; D334-K507 HydrophobicContact CB-CD 4.36Å; D334-K507 WeakPolarHBondContact O-CB 3.19Å; D334-K507 IonicContact OD2-NZ 3.74Å; D334-K507 PolarHBondContact OD2-NZ 2.92Å
335	K	93.5	Very high	92.2	Very high	121 Å²	121	34.4 Å²	34.4	53%	0.526	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	24.5	177.9	-62.9	172.2	-173.7	177.9	0	116.5	Q333 E338 T339 K507	Q333-K335 PolarHBondContact O-N 3.04Å; K335-E338 VanDerWaalsContact C-OE2 3.3Å; K335-E338 WeakPolarHBondContact CA-OE2 3.47Å; K335-T339 VanDerWaalsContact O-CB 3.29Å; K335-T339 WeakPolarHBondContact O-CB 3.08Å; K335-T339 PolarHBondContact O-N 3.36Å; K335-T339 PolarHBondContact O-OG1 2.92Å; K335-K507 HydrophobicContact CB-CB 4.16Å; K335-K507 HydrophobicContact CB-CD 4.44Å; K335-K507 HydrophobicContact CD-CD 4.48Å
336	V	95.1	Very high	91.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-50.4	175.3	167.7	0	0	0	0	112.6	L98 L332 Q333 D334 E338 T339 I340 C368 F506	L98-V336 HydrophobicContact CD2-CG1 3.82Å; L332-V336 HydrophobicContact CB-CB 4.33Å; L332-V336 HydrophobicContact CD1-CG1 4.46Å; Q333-V336 HydrophobicContact CB-CG2 3.62Å; Q333-V336 VanDerWaalsContact O-CG2 3.3Å; Q333-V336 WeakPolarHBondContact O-CG2 3.16Å; Q333-V336 PolarHBondContact O-N 3.25Å; D334-V336 PolarHBondContact O-N 3.3Å; V336-E338 VanDerWaalsContact C-N 3.33Å; V336-E338 PolarHBondContact O-N 2.72Å; V336-T339 PolarHBondContact O-N 3.39Å; V336-T339 VanDerWaalsContact O-N 3.16Å; V336-I340 HydrophobicContact CG1-CD1 3.99Å; V336-I340 HydrophobicContact CG1-CG1 4.42Å; V336-I340 WeakPolarHBondContact O-CG1 3.43Å; V336-I340 PolarHBondContact O-N 3.03Å; V336-C368 HydrophobicContact CG1-CB 4.1Å; V336-F506 HydrophobicContact CB-CD1 4.44Å; V336-F506 HydrophobicContact CG1-CD1 4.32Å; V336-F506 HydrophobicContact CG1-CE1 4.47Å; V336-F506 HydrophobicContact CG2-CB 4.06Å; V336-F506 HydrophobicContact CG2-CD1 3.93Å; V336-F506 HydrophobicContact CG2-CG 4.25Å
337	P	92.9	Very high	91.8	Very high	20 Å²	20	36.9 Å²	36.9	13%	0.13	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-42.1	-179.2	-20.7	31.1	0	0	0	112.9	L332 T339 I340 E341 K369	L332-P337 HydrophobicContact CD1-CG 3.78Å; P337-T339 VanDerWaalsContact C-N 3.31Å; P337-T339 PolarHBondContact O-N 3.34Å; P337-I340 PolarHBondContact O-N 3.25Å; P337-E341 WeakPolarHBondContact O-CB 3.08Å; P337-E341 PolarHBondContact O-N 3.38Å; P337-K369 HydrophobicContact CB-CD 4.11Å; P337-K369 HydrophobicContact CB-CG 4.26Å
338	E	94.1	Very high	91.9	Very high	94 Å²	94	37 Å²	37	44%	0.439	18%	0.177	S	C	.	.	H	α-helix	trans	-65.7	-37.7	178.9	-65.1	72.3	-162.5	0	0	111	K335 V336 T342	K335-E338 VanDerWaalsContact C-OE2 3.3Å; K335-E338 WeakPolarHBondContact CA-OE2 3.47Å; V336-E338 VanDerWaalsContact C-N 3.33Å; V336-E338 PolarHBondContact O-N 2.72Å; E338-T342 VanDerWaalsContact O-CB 3.31Å; E338-T342 WeakPolarHBondContact O-CB 3.29Å; E338-T342 PolarHBondContact O-N 3Å; E338-T342 PolarHBondContact O-OG1 3.3Å
339	T	96.2	Very high	92.1	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-48.5	178.6	-59.5	0	0	0	0	110.5	K335 V336 P337 E341 T342 L343 F506 K507 K510	K335-T339 VanDerWaalsContact O-CB 3.29Å; K335-T339 WeakPolarHBondContact O-CB 3.08Å; K335-T339 PolarHBondContact O-N 3.36Å; K335-T339 PolarHBondContact O-OG1 2.92Å; V336-T339 PolarHBondContact O-N 3.39Å; V336-T339 VanDerWaalsContact O-N 3.16Å; P337-T339 VanDerWaalsContact C-N 3.31Å; P337-T339 PolarHBondContact O-N 3.34Å; T339-E341 PolarHBondContact O-N 2.69Å; T339-T342 WeakPolarHBondContact O-CB 3.35Å; T339-T342 PolarHBondContact O-N 3.32Å; T339-L343 HydrophobicContact CG2-CD1 3.9Å; T339-L343 HydrophobicContact CG2-CG 4.4Å; T339-L343 VanDerWaalsContact O-CG 3.25Å; T339-L343 WeakPolarHBondContact O-CG 3.46Å; T339-L343 PolarHBondContact O-N 2.9Å; T339-F506 HydrophobicContact CG2-CD1 3.94Å; T339-F506 HydrophobicContact CG2-CE1 3.71Å; T339-K507 WeakPolarHBondContact OG1-CA 3.34Å; T339-K510 HydrophobicContact CG2-CB 4.2Å
340	I	95.3	Very high	92.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-47.7	175.9	-70.7	-176.5	0	0	0	110.5	L98 V336 P337 T342 L343 M344 I350 C368 L370 F506	L98-I340 HydrophobicContact CD2-CD1 4.23Å; V336-I340 HydrophobicContact CG1-CD1 3.99Å; V336-I340 HydrophobicContact CG1-CG1 4.42Å; V336-I340 WeakPolarHBondContact O-CG1 3.43Å; V336-I340 PolarHBondContact O-N 3.03Å; P337-I340 PolarHBondContact O-N 3.25Å; I340-T342 VanDerWaalsContact C-N 3.3Å; I340-T342 PolarHBondContact O-N 3.21Å; I340-L343 PolarHBondContact O-N 2.81Å; I340-M344 HydrophobicContact CG2-CG 4.32Å; I340-M344 HydrophobicContact CG2-SD 3.83Å; I340-M344 WeakPolarHBondContact O-CB 3.31Å; I340-M344 VanDerWaalsContact O-CG 3.28Å; I340-M344 WeakPolarHBondContact O-CG 3.43Å; I340-M344 PolarHBondContact O-N 3.23Å; I340-I350 HydrophobicContact CB-CD1 4.24Å; I340-I350 HydrophobicContact CG1-CD1 4.14Å; I340-I350 HydrophobicContact CG2-CD1 3.9Å; I340-C368 HydrophobicContact CD1-CB 3.73Å; I340-L370 HydrophobicContact CG2-CB 4.48Å; I340-L370 HydrophobicContact CG2-CD1 4.35Å; I340-F506 HydrophobicContact CG1-CE1 3.87Å; I340-F506 HydrophobicContact CG1-CZ 4.15Å
341	E	92.4	Very high	92.9	Very high	77 Å²	77	35.8 Å²	35.8	36%	0.36	17%	0.171	S	C	.	.	H	α-helix	trans	-59.5	-42.2	177.9	-170.7	-171.7	163.8	0	0	111.7	P337 T339 M344 K345	P337-E341 WeakPolarHBondContact O-CB 3.08Å; P337-E341 PolarHBondContact O-N 3.38Å; T339-E341 PolarHBondContact O-N 2.69Å; E341-M344 PolarHBondContact O-N 3.49Å; E341-K345 WeakPolarHBondContact O-CG 3.3Å; E341-K345 PolarHBondContact O-N 3.46Å; E341-K345 WeakPolarHBondContact OE1-CE 3.45Å; E341-K345 IonicContact OE1-NZ 2.75Å; E341-K345 PolarHBondContact OE1-NZ 3.25Å
342	T	93.9	Very high	93.4	Very high	17 Å²	17	33.1 Å²	33.1	10%	0.104	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-46.1	177.5	-57.8	0	0	0	0	111.1	E338 T339 I340 K345 A346 K510 L514 P593	E338-T342 VanDerWaalsContact O-CB 3.31Å; E338-T342 WeakPolarHBondContact O-CB 3.29Å; E338-T342 PolarHBondContact O-N 3Å; E338-T342 PolarHBondContact O-OG1 3.3Å; T339-T342 WeakPolarHBondContact O-CB 3.35Å; T339-T342 PolarHBondContact O-N 3.32Å; I340-T342 VanDerWaalsContact C-N 3.3Å; I340-T342 PolarHBondContact O-N 3.21Å; T342-K345 PolarHBondContact O-N 2.96Å; T342-A346 PolarHBondContact O-N 3.12Å; T342-A346 VanDerWaalsContact O-N 3.07Å; T342-K510 HydrophobicContact CG2-CD 3.87Å; T342-K510 HydrophobicContact CG2-CG 4.06Å; T342-L514 HydrophobicContact CG2-CD1 3.55Å; T342-P593 HydrophobicContact CG2-CB 3.95Å; T342-P593 HydrophobicContact CG2-CG 3.33Å; T342-P593 VanDerWaalsContact O-CB 3.3Å; T342-P593 WeakPolarHBondContact O-CB 3.38Å
343	L	94.9	Very high	93.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-38.8	180	-66.8	170.3	0	0	0	111.6	I90 T339 I340 A346 D347 I348 I350 L509 L513	I90-L343 HydrophobicContact CD1-CD1 3.89Å; T339-L343 HydrophobicContact CG2-CD1 3.9Å; T339-L343 HydrophobicContact CG2-CG 4.4Å; T339-L343 VanDerWaalsContact O-CG 3.25Å; T339-L343 WeakPolarHBondContact O-CG 3.46Å; T339-L343 PolarHBondContact O-N 2.9Å; I340-L343 PolarHBondContact O-N 2.81Å; L343-A346 CarbonylContact O-C 3.34Å; L343-A346 WeakPolarHBondContact O-CA 3.26Å; L343-A346 WeakPolarHBondContact O-CB 3.41Å; L343-A346 PolarHBondContact O-N 3.41Å; L343-A346 VanDerWaalsContact O-N 3.12Å; L343-D347 PolarHBondContact O-N 2.69Å; L343-I348 HydrophobicContact CB-CB 4.45Å; L343-I348 HydrophobicContact CB-CD1 4.34Å; L343-I348 HydrophobicContact CD2-CD1 3.74Å; L343-I348 WeakPolarHBondContact O-CB 3.46Å; L343-I348 PolarHBondContact O-N 3.45Å; L343-I348 VanDerWaalsContact O-N 3.11Å; L343-I350 HydrophobicContact CB-CD1 4.09Å; L343-I350 HydrophobicContact CD1-CD1 4.32Å; L343-L509 HydrophobicContact CD1-CD2 4.04Å; L343-L509 HydrophobicContact CD1-CG 4.42Å; L343-L513 HydrophobicContact CD2-CD1 3.95Å
344	M	91.8	Very high	93.8	Very high	46 Å²	46	31.5 Å²	31.5	23%	0.227	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-38.7	174.1	-69.2	179.5	79.2	0	0	111.9	I340 E341 A346 D347 I350 L370 K438	I340-M344 HydrophobicContact CG2-CG 4.32Å; I340-M344 HydrophobicContact CG2-SD 3.83Å; I340-M344 WeakPolarHBondContact O-CB 3.31Å; I340-M344 VanDerWaalsContact O-CG 3.28Å; I340-M344 WeakPolarHBondContact O-CG 3.43Å; I340-M344 PolarHBondContact O-N 3.23Å; E341-M344 PolarHBondContact O-N 3.49Å; M344-A346 PolarHBondContact O-N 3.34Å; M344-D347 PolarHBondContact O-N 3.37Å; M344-I350 HydrophobicContact CG-CD1 4.29Å; M344-L370 HydrophobicContact CE-CD1 4.4Å; M344-L370 HydrophobicContact SD-CD1 4.05Å; M344-K438 HydrophobicContact CE-CD 4.08Å; M344-K438 HydrophobicContact CE-CG 3.95Å
345	K	90.4	Very high	93.7	Very high	107 Å²	107	29.8 Å²	29.8	47%	0.465	15%	0.153	S	C	.	.	H	α-helix	trans	-62.8	-31.6	172.1	-75.1	174.7	-174.9	167.7	0	112.3	E341 T342 D347 P593 K597	E341-K345 WeakPolarHBondContact O-CG 3.3Å; E341-K345 PolarHBondContact O-N 3.46Å; E341-K345 WeakPolarHBondContact OE1-CE 3.45Å; E341-K345 IonicContact OE1-NZ 2.75Å; E341-K345 PolarHBondContact OE1-NZ 3.25Å; T342-K345 PolarHBondContact O-N 2.96Å; K345-D347 PolarHBondContact O-N 3.08Å; K345-P593 HydrophobicContact CB-CB 4.2Å; K345-P593 HydrophobicContact CB-CG 4.3Å; K345-K597 VanDerWaalsContact O-CE 3.24Å; K345-K597 WeakPolarHBondContact O-CE 3.29Å
346	A	90.7	Very high	93.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	7.8	171.8	0	0	0	0	0	113.9	T342 L343 M344 I348 L514 P593 Y596 Q600	T342-A346 PolarHBondContact O-N 3.12Å; T342-A346 VanDerWaalsContact O-N 3.07Å; L343-A346 CarbonylContact O-C 3.34Å; L343-A346 WeakPolarHBondContact O-CA 3.26Å; L343-A346 WeakPolarHBondContact O-CB 3.41Å; L343-A346 PolarHBondContact O-N 3.41Å; L343-A346 VanDerWaalsContact O-N 3.12Å; M344-A346 PolarHBondContact O-N 3.34Å; A346-I348 VanDerWaalsContact C-N 3.34Å; A346-I348 HydrophobicContact CB-CD1 4.19Å; A346-I348 HydrophobicContact CB-CG1 4.33Å; A346-L514 HydrophobicContact CB-CD2 3.82Å; A346-P593 HydrophobicContact CB-CB 3.82Å; A346-P593 WeakPolarHBondContact CB-O 3.38Å; A346-Y596 HydrophobicContact CB-CD1 4.1Å; A346-Y596 HydrophobicContact CB-CG 4.44Å; A346-Q600 PolarHBondContact O-NE2 3.48Å; A346-Q600 PolarHBondContact O-OE1 3.05Å
347	D	91.3	Very high	92.8	Very high	52 Å²	52	28.4 Å²	28.4	28%	0.278	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	38.2	-179	-166.3	58	0	0	0	113	K88 L343 M344 K345 K597	K88-D347 IonicContact NZ-OD2 3.22Å; K88-D347 PolarHBondContact NZ-OD2 3.31Å; L343-D347 PolarHBondContact O-N 2.69Å; M344-D347 PolarHBondContact O-N 3.37Å; K345-D347 PolarHBondContact O-N 3.08Å; D347-K597 HydrophobicContact CB-CD 4.08Å; D347-K597 HydrophobicContact CB-CG 4.06Å
348	I	93.8	Very high	92.4	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	15%	0.148	C	C	.	.			trans	-104.2	124.1	172.3	-56.1	168.6	0	0	0	108.8	V87 I90 L343 A346 L513 Y596 Q600	V87-I348 HydrophobicContact CG1-CG2 4.46Å; I90-I348 HydrophobicContact CB-CG2 4.42Å; I90-I348 HydrophobicContact CD1-CG2 3.53Å; I90-I348 HydrophobicContact CG1-CG2 3.65Å; L343-I348 HydrophobicContact CB-CB 4.45Å; L343-I348 HydrophobicContact CB-CD1 4.34Å; L343-I348 HydrophobicContact CD2-CD1 3.74Å; L343-I348 WeakPolarHBondContact O-CB 3.46Å; L343-I348 PolarHBondContact O-N 3.45Å; L343-I348 VanDerWaalsContact O-N 3.11Å; A346-I348 VanDerWaalsContact C-N 3.34Å; A346-I348 HydrophobicContact CB-CD1 4.19Å; A346-I348 HydrophobicContact CB-CG1 4.33Å; I348-L513 HydrophobicContact CD1-CD1 4.24Å; I348-Y596 HydrophobicContact CD1-CD1 4.09Å; I348-Y596 HydrophobicContact CD1-CE1 3.73Å; I348-Y596 HydrophobicContact CG1-CD1 4.37Å; I348-Y596 HydrophobicContact CG1-CE1 4.08Å; I348-Q600 VanDerWaalsContact CG1-NE2 3.33Å
349	K	92.6	Very high	91.8	Very high	34 Å²	34	26.9 Å²	26.9	15%	0.148	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.6	177	-66.5	-176.3	177.9	-177.5	0	110	K88 Y89 I90 E406 L435	K88-K349 PolarHBondContact O-N 3.5Å; Y89-K349 CarbonylContact C-O 3.17Å; Y89-K349 WeakPolarHBondContact CA-O 3.18Å; Y89-K349 HydrophobicContact CD1-CB 3.87Å; Y89-K349 HydrophobicContact CE1-CB 3.86Å; Y89-K349 HydrophobicContact CE1-CD 3.7Å; Y89-K349 HydrophobicContact CE1-CG 4.38Å; Y89-K349 HydrophobicContact CG-CB 4.46Å; Y89-K349 WeakPolarHBondContact OH-CD 3.5Å; I90-K349 PolarHBondContact N-O 3.09Å; K349-E406 WeakPolarHBondContact CE-OE1 3.26Å; K349-L435 PolarHBondContact NZ-O 2.79Å
350	I	95.3	Very high	91.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.4	-177	-61.6	167.6	0	0	0	109.3	I90 I340 L343 M344 L370	I90-I350 HydrophobicContact CB-CG1 4.2Å; I90-I350 HydrophobicContact CD1-CG1 4.5Å; I90-I350 CarbonylContact O-C 3.44Å; I90-I350 WeakPolarHBondContact O-CA 3.44Å; I340-I350 HydrophobicContact CB-CD1 4.24Å; I340-I350 HydrophobicContact CG1-CD1 4.14Å; I340-I350 HydrophobicContact CG2-CD1 3.9Å; L343-I350 HydrophobicContact CB-CD1 4.09Å; L343-I350 HydrophobicContact CD1-CD1 4.32Å; M344-I350 HydrophobicContact CG-CD1 4.29Å; I350-L370 HydrophobicContact CB-CD1 4.16Å
351	W	96.8	Very high	90.7	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.9	177.9	-69.6	24.1	0	0	0	108.5	Y89 I90 F91 S92 A434 L435 V440 V453 V457	Y89-W351 AromaticContact CD1-NE1 3.95Å; Y89-W351 HydrophobicContact CE1-CZ2 4.11Å; Y89-W351 AromaticContact CE1-NE1 3.88Å; I90-W351 PolarHBondContact O-N 3.07Å; F91-W351 WeakPolarHBondContact CA-O 3.27Å; F91-W351 HydrophobicContact CD1-CB 3.8Å; F91-W351 HydrophobicContact CD1-CD2 4.42Å; F91-W351 HydrophobicContact CD1-CE3 4.23Å; F91-W351 HydrophobicContact CD1-CG 4.31Å; F91-W351 HydrophobicContact CE1-CB 4.13Å; F91-W351 AromaticContact CE1-CD2 3.86Å; F91-W351 HydrophobicContact CE1-CD2 3.86Å; F91-W351 AromaticContact CE1-CE3 3.58Å; F91-W351 HydrophobicContact CE1-CE3 3.58Å; F91-W351 HydrophobicContact CE1-CG 4.14Å; F91-W351 HydrophobicContact CE1-CZ3 4.23Å; S92-W351 PolarHBondContact N-O 3.13Å; W351-A434 HydrophobicContact CH2-CB 3.39Å; W351-A434 HydrophobicContact CZ2-CB 3.74Å; W351-A434 HydrophobicContact CZ3-CB 4.19Å; W351-L435 HydrophobicContact CZ2-CD2 4.45Å; W351-V440 CarbonylContact C-O 3.56Å; W351-V440 VanDerWaalsContact CA-O 3.3Å; W351-V440 WeakPolarHBondContact CA-O 3.47Å; W351-V440 HydrophobicContact CB-CB 4.36Å; W351-V440 HydrophobicContact CD2-CB 3.66Å; W351-V440 HydrophobicContact CD2-CG1 4.19Å; W351-V440 HydrophobicContact CD2-CG2 3.82Å; W351-V440 VanDerWaalsContact CE2-CG2 3.49Å; W351-V440 HydrophobicContact CE3-CB 4.07Å; W351-V440 HydrophobicContact CE3-CG1 4.07Å; W351-V440 HydrophobicContact CE3-CG2 4.36Å; W351-V440 HydrophobicContact CG-CB 3.77Å; W351-V440 HydrophobicContact CG-CG2 4.19Å; W351-V440 HydrophobicContact CH2-CG2 4.41Å; W351-V440 HydrophobicContact CZ2-CG2 3.82Å; W351-V440 HydrophobicContact CZ3-CG1 4.46Å; W351-V453 HydrophobicContact CE3-CG1 3.96Å; W351-V453 HydrophobicContact CZ3-CG1 3.88Å; W351-V457 HydrophobicContact CE3-CG2 4.5Å; W351-V457 HydrophobicContact CH2-CG2 3.65Å; W351-V457 HydrophobicContact CZ2-CG2 4.44Å; W351-V457 HydrophobicContact CZ3-CG2 3.71Å
352	I	97.2	Very high	90.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.9	177.2	-61.1	179.5	0	0	0	108.3	S92 K94 L98 L370 V440 I441 C442	S92-I352 WeakPolarHBondContact O-CA 3.44Å; K94-I352 HydrophobicContact CB-CG2 4.12Å; L98-I352 HydrophobicContact CD1-CD1 3.77Å; L98-I352 HydrophobicContact CD1-CG1 4.11Å; I352-L370 HydrophobicContact CD1-CD2 3.48Å; I352-L370 VanDerWaalsContact CD1-CD2 3.48Å; I352-L370 HydrophobicContact CG1-CD2 3.76Å; I352-V440 PolarHBondContact N-O 2.86Å; I352-I441 HydrophobicContact CB-CG1 4.37Å; I352-I441 HydrophobicContact CB-CG2 4.41Å; I352-I441 WeakPolarHBondContact O-CA 3.45Å; I352-C442 PolarHBondContact O-N 2.89Å
353	L	96.4	Very high	89.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	97	178.1	-54.2	-175.9	0	0	0	109	F91 S92 D93 C442 K450 V453 V454 M477	F91-L353 HydrophobicContact CB-CD1 4.14Å; F91-L353 HydrophobicContact CD1-CD1 3.96Å; F91-L353 HydrophobicContact CD1-CG 4.44Å; F91-L353 HydrophobicContact CG-CD1 4.41Å; S92-L353 PolarHBondContact O-N 3.07Å; D93-L353 VanDerWaalsContact OD1-O 3.08Å; L353-C442 HydrophobicContact CD2-CB 3.64Å; L353-C442 VanDerWaalsContact CD2-SG 3.53Å; L353-K450 HydrophobicContact CB-CD 4.26Å; L353-K450 HydrophobicContact CB-CG 4.12Å; L353-K450 HydrophobicContact CD1-CB 4.27Å; L353-K450 WeakPolarHBondContact O-CE 3.24Å; L353-K450 PolarHBondContact O-NZ 3.16Å; L353-K450 VanDerWaalsContact O-NZ 3.1Å; L353-V453 HydrophobicContact CD1-CB 4.27Å; L353-V453 HydrophobicContact CD1-CG1 4.18Å; L353-V453 HydrophobicContact CD2-CG1 4.1Å; L353-V454 HydrophobicContact CD1-CG2 4.38Å; L353-M477 HydrophobicContact CB-SD 4.45Å; L353-M477 HydrophobicContact CD1-SD 3.85Å
354	T	94	Very high	89.5	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	13%	0.128	C	C	.	.			trans	-118.6	147.4	-171.9	-171.9	0	0	0	0	113.2	D356 A361 C442 C443 R444 V445	T354-D356 VanDerWaalsContact C-N 3.25Å; T354-D356 HydrophobicContact CG2-CB 4.23Å; T354-D356 WeakPolarHBondContact OG1-CB 3.22Å; T354-D356 PolarHBondContact OG1-N 3.31Å; T354-D356 VanDerWaalsContact OG1-N 3.15Å; T354-A361 HydrophobicContact CG2-CB 3.73Å; T354-C442 PolarHBondContact N-O 3.43Å; T354-C443 CarbonylContact O-C 3.54Å; T354-R444 PolarHBondContact O-N 3.3Å; T354-V445 PolarHBondContact O-N 3.47Å
355	G	88.9	Confident	89.4	Confident	45 Å²	45	22.1 Å²	22.1	46%	0.464	12%	0.117	S	C	.	.	S	Bend	trans	-77	-10.2	168.1	0	0	0	0	0	113.6
356	D	86.4	Confident	89.1	Confident	42 Å²	42	19.3 Å²	19.3	23%	0.225	11%	0.105	C	C	.	.	S	Bend	trans	-74.2	167	-175.3	-82.3	13.3	0	0	0	113.5	K94 T354 T360 R444	K94-D356 WeakPolarHBondContact CE-OD2 3.4Å; K94-D356 IonicContact NZ-OD2 3.23Å; K94-D356 PolarHBondContact NZ-OD2 2.98Å; T354-D356 VanDerWaalsContact C-N 3.25Å; T354-D356 HydrophobicContact CG2-CB 4.23Å; T354-D356 WeakPolarHBondContact OG1-CB 3.22Å; T354-D356 PolarHBondContact OG1-N 3.31Å; T354-D356 VanDerWaalsContact OG1-N 3.15Å; D356-T360 HydrophobicContact CB-CG2 4.45Å; D356-R444 WeakPolarHBondContact O-CG 3.25Å; D356-R444 PolarHBondContact O-N 2.81Å
357	K	82.8	Confident	88.9	Confident	49 Å²	49	20.8 Å²	20.8	21%	0.213	12%	0.116	C	C	.	.			trans	-62.6	153.4	172.4	-61.6	-178.5	179.6	171.4	0	110.6	E359 T360 A361 E810	K357-E359 PolarHBondContact O-N 3.13Å; K357-T360 PolarHBondContact O-N 3.47Å; K357-A361 PolarHBondContact O-N 2.82Å; K357-E810 IonicContact NZ-OE1 3.41Å; K357-E810 PolarHBondContact NZ-OE1 3.19Å
358	Q	85.1	Confident	88.7	Confident	25 Å²	25	18.3 Å²	18.3	12%	0.117	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-42.7	-173.8	177.6	-178.5	-33.5	0	0	112.6	T360 A361 I362 V379 N381 I412 C443	Q358-T360 VanDerWaalsContact C-N 3.34Å; Q358-T360 PolarHBondContact O-N 3.24Å; Q358-A361 PolarHBondContact O-N 3Å; Q358-I362 HydrophobicContact CG-CD1 3.77Å; Q358-I362 HydrophobicContact CG-CG1 4.42Å; Q358-I362 WeakPolarHBondContact O-CG1 3.47Å; Q358-I362 PolarHBondContact O-N 3.46Å; Q358-V379 VanDerWaalsContact NE2-CG1 3.31Å; Q358-N381 PolarHBondContact OE1-ND2 2.81Å; Q358-N381 PolarHBondContact OE1-OD1 2.87Å; Q358-I412 HydrophobicContact CG-CG2 3.77Å; Q358-C443 HydrophobicContact CB-CB 4.18Å
359	E	81	Confident	88.4	Confident	57 Å²	57	23.4 Å²	23.4	27%	0.266	12%	0.124	S	C	.	.	H	α-helix	trans	-61.8	-44.3	-177.6	-58.6	90.6	156.5	0	0	111.2	K223 K357 A361 I362 N363 Y804	K223-E359 IonicContact NZ-OE1 3.29Å; K223-E359 PolarHBondContact NZ-OE1 3.4Å; K357-E359 PolarHBondContact O-N 3.13Å; E359-A361 PolarHBondContact O-N 2.86Å; E359-I362 PolarHBondContact O-N 3.12Å; E359-N363 PolarHBondContact O-N 2.97Å; E359-Y804 WeakPolarHBondContact CB-O 3.5Å
360	T	81.8	Confident	88.3	Confident	4 Å²	4	21.8 Å²	21.8	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-60	-44.3	174.5	-55.7	0	0	0	0	111.9	K94 D356 K357 Q358 I362 N363 I364	K94-T360 HydrophobicContact CD-CG2 4.46Å; D356-T360 HydrophobicContact CB-CG2 4.45Å; K357-T360 PolarHBondContact O-N 3.47Å; Q358-T360 VanDerWaalsContact C-N 3.34Å; Q358-T360 PolarHBondContact O-N 3.24Å; T360-I362 PolarHBondContact O-N 3.44Å; T360-N363 PolarHBondContact O-N 3.29Å; T360-I364 WeakPolarHBondContact O-CG1 3.47Å; T360-I364 PolarHBondContact O-N 3.25Å
361	A	87.9	Confident	87.9	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-39.8	-178.9	0	0	0	0	0	112.2	T354 K357 Q358 E359 G365 I441	T354-A361 HydrophobicContact CG2-CB 3.73Å; K357-A361 PolarHBondContact O-N 2.82Å; Q358-A361 PolarHBondContact O-N 3Å; E359-A361 PolarHBondContact O-N 2.86Å; A361-G365 PolarHBondContact O-N 2.96Å; A361-I441 HydrophobicContact CB-CG2 3.66Å
362	I	85.9	Confident	87.2	Confident	28 Å²	28	25.1 Å²	25.1	14%	0.144	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-44.9	175.5	-66.9	168.8	0	0	0	110.7	Q358 E359 T360 I364 G365 H366 L371 M377 I412	Q358-I362 HydrophobicContact CG-CD1 3.77Å; Q358-I362 HydrophobicContact CG-CG1 4.42Å; Q358-I362 WeakPolarHBondContact O-CG1 3.47Å; Q358-I362 PolarHBondContact O-N 3.46Å; E359-I362 PolarHBondContact O-N 3.12Å; T360-I362 PolarHBondContact O-N 3.44Å; I362-I364 PolarHBondContact O-N 3.44Å; I362-G365 WeakPolarHBondContact O-CA 3.22Å; I362-G365 PolarHBondContact O-N 3.12Å; I362-G365 VanDerWaalsContact O-N 3.11Å; I362-H366 PolarHBondContact O-CD2 2.73Å; I362-H366 PolarHBondContact O-N 3.01Å; I362-L371 HydrophobicContact CG2-CD1 4.13Å; I362-M377 HydrophobicContact CD1-CE 4.45Å; I362-M377 HydrophobicContact CG1-CE 4.3Å; I362-M377 HydrophobicContact CG2-CE 3.84Å; I362-I412 HydrophobicContact CD1-CD1 4.31Å; I362-I412 HydrophobicContact CD1-CG1 4.5Å; I362-I412 HydrophobicContact CD1-CG2 4.4Å; I362-I412 HydrophobicContact CG1-CD1 4.32Å; I362-I412 HydrophobicContact CG1-CG1 4.25Å
363	N	82.6	Confident	86	Confident	11 Å²	11	32.2 Å²	32.2	6%	0.059	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-48.5	177	-76.6	-13.3	0	0	0	111.2	E359 T360 G365 H366 S367 G803	E359-N363 PolarHBondContact O-N 2.97Å; T360-N363 PolarHBondContact O-N 3.29Å; N363-G365 VanDerWaalsContact C-N 3.31Å; N363-G365 PolarHBondContact O-N 2.98Å; N363-H366 PolarHBondContact O-N 3.14Å; N363-H366 VanDerWaalsContact O-N 3.13Å; N363-S367 PolarHBondContact O-N 3.27Å; N363-S367 PolarHBondContact O-OG 2.9Å; N363-S367 VanDerWaalsContact O-OG 3.07Å; N363-G803 PolarHBondContact ND2-O 3.5Å
364	I	87.7	Confident	85	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-38.9	175.1	-66.6	-55.3	0	0	0	111.7	K94 T99 D330 L332 T360 I362 H366 S367 C368	K94-I364 HydrophobicContact CD-CG1 4.03Å; K94-I364 HydrophobicContact CG-CB 4.25Å; K94-I364 HydrophobicContact CG-CG1 4.18Å; K94-I364 HydrophobicContact CG-CG2 3.89Å; T99-I364 HydrophobicContact CG2-CD1 3.62Å; T99-I364 HydrophobicContact CG2-CG1 4.01Å; T99-I364 HydrophobicContact CG2-CG2 4.26Å; D330-I364 HydrophobicContact CB-CD1 3.98Å; L332-I364 HydrophobicContact CD2-CD1 4.06Å; L332-I364 HydrophobicContact CD2-CG2 4.18Å; T360-I364 WeakPolarHBondContact O-CG1 3.47Å; T360-I364 PolarHBondContact O-N 3.25Å; I362-I364 PolarHBondContact O-N 3.44Å; I364-H366 VanDerWaalsContact C-N 3.25Å; I364-H366 PolarHBondContact O-N 3.03Å; I364-S367 PolarHBondContact O-N 2.9Å; I364-C368 WeakPolarHBondContact O-CB 3.46Å; I364-C368 PolarHBondContact O-N 2.66Å; I364-C368 PolarHBondContact O-SG 3.3Å
365	G	89.1	Confident	84.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.9	-37.2	173.9	0	0	0	0	0	113.2	A361 I362 N363 C368 L370 L371	A361-G365 PolarHBondContact O-N 2.96Å; I362-G365 WeakPolarHBondContact O-CA 3.22Å; I362-G365 PolarHBondContact O-N 3.12Å; I362-G365 VanDerWaalsContact O-N 3.11Å; N363-G365 VanDerWaalsContact C-N 3.31Å; N363-G365 PolarHBondContact O-N 2.98Å; G365-C368 PolarHBondContact O-SG 3.46Å; G365-L370 PolarHBondContact O-N 3.21Å; G365-L371 PolarHBondContact O-N 3.18Å
366	H	84.9	Confident	84	Confident	47 Å²	47	37.1 Å²	37.1	22%	0.218	19%	0.188	C	C	.	.	H	α-helix	trans	-74	-46.8	172.9	-75.6	-56.5	0	0	0	112.4	I362 N363 I364 C368 K369 L371	I362-H366 PolarHBondContact O-CD2 2.73Å; I362-H366 PolarHBondContact O-N 3.01Å; N363-H366 PolarHBondContact O-N 3.14Å; N363-H366 VanDerWaalsContact O-N 3.13Å; I364-H366 VanDerWaalsContact C-N 3.25Å; I364-H366 PolarHBondContact O-N 3.03Å; H366-C368 VanDerWaalsContact C-N 3.27Å; H366-C368 PolarHBondContact O-N 3.08Å; H366-K369 PolarHBondContact O-N 3.45Å; H366-L371 WeakPolarHBondContact ND1-CB 3.42Å; H366-L371 PolarHBondContact ND1-O 2.88Å; H366-L371 VanDerWaalsContact ND1-O 3.14Å
367	S	85	Confident	83.8	Confident	31 Å²	31	37.4 Å²	37.4	22%	0.217	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-39.6	179.1	-54.6	0	0	0	0	112.2	G272 N363 I364 K369	G272-S367 WeakPolarHBondContact CA-OG 3.25Å; G272-S367 PolarHBondContact O-OG 3.04Å; N363-S367 PolarHBondContact O-N 3.27Å; N363-S367 PolarHBondContact O-OG 2.9Å; N363-S367 VanDerWaalsContact O-OG 3.07Å; I364-S367 PolarHBondContact O-N 2.9Å; S367-K369 PolarHBondContact O-N 3.21Å
368	C	88.8	Confident	84.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	3.4	179.7	80.8	0	0	0	0	113.6	L332 V336 I340 I364 G365 H366 L370	L332-C368 HydrophobicContact CD1-CB 4.11Å; V336-C368 HydrophobicContact CG1-CB 4.1Å; I340-C368 HydrophobicContact CD1-CB 3.73Å; I364-C368 WeakPolarHBondContact O-CB 3.46Å; I364-C368 PolarHBondContact O-N 2.66Å; I364-C368 PolarHBondContact O-SG 3.3Å; G365-C368 PolarHBondContact O-SG 3.46Å; H366-C368 VanDerWaalsContact C-N 3.27Å; H366-C368 PolarHBondContact O-N 3.08Å; C368-L370 PolarHBondContact O-N 3.47Å; C368-L370 VanDerWaalsContact O-N 3.15Å; C368-L370 WeakPolarHBondContact SG-CB 3.5Å
369	K	87.1	Confident	84.3	Confident	110 Å²	110	36.7 Å²	36.7	48%	0.478	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	18.2	-178.8	-57.7	176.2	-177.8	168.8	0	114.7	P337 H366 S367 L371	P337-K369 HydrophobicContact CB-CD 4.11Å; P337-K369 HydrophobicContact CB-CG 4.26Å; H366-K369 PolarHBondContact O-N 3.45Å; S367-K369 PolarHBondContact O-N 3.21Å; K369-L371 VanDerWaalsContact C-N 3.33Å
370	L	89.8	Confident	84.7	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-66.9	-40.8	169.2	-177.4	66.4	0	0	0	110.2	I340 M344 I350 I352 G365 C368 A439 I441	I340-L370 HydrophobicContact CG2-CB 4.48Å; I340-L370 HydrophobicContact CG2-CD1 4.35Å; M344-L370 HydrophobicContact CE-CD1 4.4Å; M344-L370 HydrophobicContact SD-CD1 4.05Å; I350-L370 HydrophobicContact CB-CD1 4.16Å; I352-L370 HydrophobicContact CD1-CD2 3.48Å; I352-L370 VanDerWaalsContact CD1-CD2 3.48Å; I352-L370 HydrophobicContact CG1-CD2 3.76Å; G365-L370 PolarHBondContact O-N 3.21Å; C368-L370 PolarHBondContact O-N 3.47Å; C368-L370 VanDerWaalsContact O-N 3.15Å; C368-L370 WeakPolarHBondContact SG-CB 3.5Å; L370-A439 HydrophobicContact CD1-CB 3.72Å; L370-A439 HydrophobicContact CD2-CB 4.06Å; L370-A439 HydrophobicContact CG-CB 3.62Å; L370-I441 HydrophobicContact CD2-CG1 4.48Å
371	L	87.1	Confident	85.1	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.194	C	C	.	.	S	Bend	trans	-98.2	116.5	175	-57.4	-178.6	0	0	0	110.4	I362 G365 H366 K369 M375 M377 A410 A439 I441	I362-L371 HydrophobicContact CG2-CD1 4.13Å; G365-L371 PolarHBondContact O-N 3.18Å; H366-L371 WeakPolarHBondContact ND1-CB 3.42Å; H366-L371 PolarHBondContact ND1-O 2.88Å; H366-L371 VanDerWaalsContact ND1-O 3.14Å; K369-L371 VanDerWaalsContact C-N 3.33Å; L371-M375 HydrophobicContact CD2-SD 4.27Å; L371-M377 HydrophobicContact CD1-CE 3.69Å; L371-M377 HydrophobicContact CD1-SD 4.06Å; L371-M377 HydrophobicContact CD2-SD 3.98Å; L371-A410 HydrophobicContact CD2-CB 3.31Å; L371-A439 HydrophobicContact CD2-CB 4.4Å; L371-I441 HydrophobicContact CD1-CD1 3.74Å; L371-I441 HydrophobicContact CD2-CD1 4.09Å; L371-I441 HydrophobicContact CG-CD1 4.03Å
372	T	81.2	Confident	85.2	Confident	67 Å²	67	39.7 Å²	39.7	41%	0.411	21%	0.205	S	C	.	.			trans	-102.3	152	177.8	63.2	0	0	0	0	111.3	N374 M375	T372-N374 PolarHBondContact O-N 3.25Å; T372-M375 VanDerWaalsContact O-CB 3.22Å; T372-M375 WeakPolarHBondContact O-CB 3.34Å; T372-M375 PolarHBondContact O-N 2.84Å
373	K	73.7	Confident	85.3	Confident	151 Å²	151	44.6 Å²	44.6	66%	0.657	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.8	-177.4	-63.1	-173.4	177.8	-173.9	0	114.7
374	N	74.9	Confident	85.7	Confident	127 Å²	127	46.5 Å²	46.5	68%	0.679	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.8	-180	-66	-22.4	0	0	0	113.2	T372	T372-N374 PolarHBondContact O-N 3.25Å
375	M	79.2	Confident	85.9	Confident	8 Å²	8	49.1 Å²	49.1	4%	0.039	26%	0.26	C	S	.	.	S	Bend	trans	-84.6	132.8	-178	-165.4	174.7	-81.1	0	0	110.3	L371 T372 D408 A410 K438	L371-M375 HydrophobicContact CD2-SD 4.27Å; T372-M375 VanDerWaalsContact O-CB 3.22Å; T372-M375 WeakPolarHBondContact O-CB 3.34Å; T372-M375 PolarHBondContact O-N 2.84Å; M375-D408 CarbonylContact C-O 3.4Å; M375-D408 VanDerWaalsContact CA-O 3.29Å; M375-D408 WeakPolarHBondContact CA-O 3.42Å; M375-D408 VanDerWaalsContact CG-O 3.26Å; M375-D408 WeakPolarHBondContact CG-O 3.46Å; M375-A410 HydrophobicContact CG-CB 4.16Å; M375-A410 HydrophobicContact SD-CB 3.47Å; M375-A410 WeakPolarHBondContact SD-CB 3.48Å; M375-K438 HydrophobicContact CE-CB 3.87Å; M375-K438 HydrophobicContact CE-CD 3.64Å; M375-K438 HydrophobicContact CE-CG 4.15Å
376	G	81.5	Confident	85.9	Confident	14 Å²	14	54.1 Å²	54.1	14%	0.144	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.6	171.4	0	0	0	0	0	110.5	D408 F409 A410	G376-D408 PolarHBondContact N-O 3.22Å; G376-F409 CarbonylContact O-C 3.56Å; G376-F409 VanDerWaalsContact O-CA 3.22Å; G376-F409 WeakPolarHBondContact O-CA 3.02Å; G376-A410 PolarHBondContact O-N 2.52Å
377	M	83.5	Confident	86.2	Confident	47 Å²	47	53 Å²	53	23%	0.232	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.5	-177.3	-63.9	-81.4	-84.6	0	0	109.3	I362 L371 A410 I412	I362-M377 HydrophobicContact CD1-CE 4.45Å; I362-M377 HydrophobicContact CG1-CE 4.3Å; I362-M377 HydrophobicContact CG2-CE 3.84Å; L371-M377 HydrophobicContact CD1-CE 3.69Å; L371-M377 HydrophobicContact CD1-SD 4.06Å; L371-M377 HydrophobicContact CD2-SD 3.98Å; M377-A410 HydrophobicContact SD-CB 3.83Å; M377-I412 HydrophobicContact CB-CD1 4.25Å; M377-I412 HydrophobicContact CE-CD1 3.2Å; M377-I412 HydrophobicContact CE-CG1 4.38Å; M377-I412 HydrophobicContact SD-CD1 3.73Å
378	L	88.6	Confident	86.5	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	100.8	174.8	-59.2	177	0	0	0	108.1	F409 A410 L411 I412 L433 Y791	L378-F409 HydrophobicContact CD1-CB 4.27Å; L378-F409 HydrophobicContact CD1-CG 4.49Å; L378-A410 PolarHBondContact N-O 3.32Å; L378-L411 HydrophobicContact CB-CD1 4.04Å; L378-I412 PolarHBondContact O-N 2.99Å; L378-L433 HydrophobicContact CD1-CD1 4.02Å; L378-Y791 HydrophobicContact CD2-CD1 3.61Å; L378-Y791 HydrophobicContact CD2-CE1 3.18Å
379	V	89.4	Confident	86.6	Confident	55 Å²	55	56.1 Å²	56.1	33%	0.333	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.9	178.2	-178.6	0	0	0	0	108.6	Q358 I412	Q358-V379 VanDerWaalsContact NE2-CG1 3.31Å; V379-I412 WeakPolarHBondContact CA-O 3.45Å; V379-I412 HydrophobicContact CG2-CB 4.29Å; V379-I412 HydrophobicContact CG2-CD1 3.92Å
380	I	89.5	Confident	86.7	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	103.5	-178.6	-47.7	-173.5	0	0	0	109.2	E382 T391 L392 L411 I412 T417 L433	I380-E382 HydrophobicContact CG2-CG 4.16Å; I380-T391 HydrophobicContact CG2-CG2 4.03Å; I380-L392 HydrophobicContact CD1-CD2 3.47Å; I380-L392 VanDerWaalsContact CD1-CD2 3.47Å; I380-L392 HydrophobicContact CD1-CG 4.39Å; I380-L411 HydrophobicContact CD1-CD1 3.6Å; I380-L411 HydrophobicContact CG1-CD1 3.91Å; I380-I412 PolarHBondContact N-O 2.88Å; I380-T417 HydrophobicContact CG2-CG2 3.83Å; I380-L433 HydrophobicContact CD1-CD2 3.76Å
381	N	89	Confident	86.7	Confident	73 Å²	73	58.6 Å²	58.6	39%	0.39	31%	0.308	S	S	.	.			trans	-129.7	100.3	-179.8	-66.9	-17.8	0	0	0	108.4	Q358	Q358-N381 PolarHBondContact OE1-ND2 2.81Å; Q358-N381 PolarHBondContact OE1-OD1 2.87Å
382	E	90.5	Very high	86.8	Confident	50 Å²	50	58.4 Å²	58.4	23%	0.234	31%	0.307	C	S	.	.			trans	-129.5	138.8	-174.1	-60.4	-67.1	177.4	0	0	110.9	I380 A387 T388 T391 T417	I380-E382 HydrophobicContact CG2-CG 4.16Å; E382-A387 HydrophobicContact CB-CB 4.29Å; E382-A387 HydrophobicContact CG-CB 4.45Å; E382-A387 WeakPolarHBondContact OE2-CB 3.39Å; E382-T388 WeakPolarHBondContact CB-OG1 3.4Å; E382-T391 PolarHBondContact OE1-OG1 3.23Å; E382-T417 HydrophobicContact CB-CG2 4.22Å; E382-T417 PolarHBondContact N-OG1 3.27Å; E382-T417 PolarHBondContact O-OG1 3.19Å
383	D	88.7	Confident	87.2	Confident	130 Å²	130	57.2 Å²	57.2	70%	0.695	30%	0.301	S	S	*	.	S	Bend	trans	-92	-2.9	-177.5	-70.9	-48.6	0	0	0	113.7
384	S	91.4	Very high	87.9	Confident	52 Å²	52	54.9 Å²	54.9	36%	0.364	29%	0.293	S	S	.	.	S	Bend	trans	-139.3	153.6	-178.3	80.7	0	0	0	0	113.4	N386 A387 T388	S384-N386 VanDerWaalsContact C-N 3.35Å; S384-N386 PolarHBondContact O-N 2.9Å; S384-A387 PolarHBondContact O-N 2.83Å; S384-A387 WeakPolarHBondContact OG-CB 3.36Å; S384-A387 PolarHBondContact OG-N 2.88Å; S384-T388 WeakPolarHBondContact O-CB 3.3Å; S384-T388 PolarHBondContact O-N 2.93Å; S384-T388 PolarHBondContact O-OG1 3.08Å
385	L	90.3	Very high	88.3	Confident	57 Å²	57	50.3 Å²	50.3	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-38.9	178.8	-177.4	146.5	0	0	0	112.7	R389 Y420 T423	L385-R389 WeakPolarHBondContact O-CB 3.43Å; L385-R389 PolarHBondContact O-N 3.03Å; L385-Y420 HydrophobicContact CB-CD1 3.91Å; L385-Y420 HydrophobicContact CB-CG 4.3Å; L385-Y420 HydrophobicContact CD1-CD1 4.49Å; L385-T423 HydrophobicContact CD1-CG2 3.96Å
386	N	90.2	Very high	88.6	Confident	105 Å²	105	50.4 Å²	50.4	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-68.7	-46.4	-179.8	-68.5	-18.6	0	0	0	110.9	S384 T388 R389 E390	S384-N386 VanDerWaalsContact C-N 3.35Å; S384-N386 PolarHBondContact O-N 2.9Å; N386-T388 VanDerWaalsContact C-N 3.34Å; N386-T388 PolarHBondContact O-N 2.72Å; N386-R389 PolarHBondContact O-N 2.87Å; N386-E390 PolarHBondContact O-N 2.77Å
387	A	91	Very high	88.6	Confident	24 Å²	24	52.5 Å²	52.5	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-46.1	174.8	0	0	0	0	0	111.1	E382 S384 R389 E390 T391	E382-A387 HydrophobicContact CB-CB 4.29Å; E382-A387 HydrophobicContact CG-CB 4.45Å; E382-A387 WeakPolarHBondContact OE2-CB 3.39Å; S384-A387 PolarHBondContact O-N 2.83Å; S384-A387 WeakPolarHBondContact OG-CB 3.36Å; S384-A387 PolarHBondContact OG-N 2.88Å; A387-R389 VanDerWaalsContact C-N 3.29Å; A387-R389 PolarHBondContact O-N 2.92Å; A387-E390 PolarHBondContact O-N 2.68Å; A387-E390 VanDerWaalsContact O-N 3.15Å; A387-T391 WeakPolarHBondContact O-CB 3.47Å; A387-T391 PolarHBondContact O-N 3.23Å; A387-T391 PolarHBondContact O-OG1 3.14Å; A387-T391 VanDerWaalsContact O-OG1 3.08Å
388	T	90.8	Very high	88.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.5	-43.6	175.7	-54	0	0	0	0	112.1	E382 S384 N386 L392 T417 A421 V426	E382-T388 WeakPolarHBondContact CB-OG1 3.4Å; S384-T388 WeakPolarHBondContact O-CB 3.3Å; S384-T388 PolarHBondContact O-N 2.93Å; S384-T388 PolarHBondContact O-OG1 3.08Å; N386-T388 VanDerWaalsContact C-N 3.34Å; N386-T388 PolarHBondContact O-N 2.72Å; T388-L392 HydrophobicContact CG2-CD1 3.82Å; T388-L392 HydrophobicContact CG2-CG 4.46Å; T388-L392 VanDerWaalsContact O-CB 3.3Å; T388-L392 WeakPolarHBondContact O-CB 3.43Å; T388-L392 VanDerWaalsContact O-CG 3.24Å; T388-L392 WeakPolarHBondContact O-CG 3Å; T388-L392 PolarHBondContact O-N 3.09Å; T388-T417 HydrophobicContact CG2-CG2 3.64Å; T388-A421 HydrophobicContact CG2-CB 4.28Å; T388-V426 HydrophobicContact CG2-CG1 4.35Å
389	R	90.8	Very high	87.7	Confident	97 Å²	97	53.7 Å²	53.7	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-65.9	-45.5	177.7	173.8	179	-90.4	154.2	-4.4	111.8	L385 N386 A387 S393 V426	L385-R389 WeakPolarHBondContact O-CB 3.43Å; L385-R389 PolarHBondContact O-N 3.03Å; N386-R389 PolarHBondContact O-N 2.87Å; A387-R389 VanDerWaalsContact C-N 3.29Å; A387-R389 PolarHBondContact O-N 2.92Å; R389-S393 VanDerWaalsContact O-CB 3.23Å; R389-S393 WeakPolarHBondContact O-CB 3.16Å; R389-S393 PolarHBondContact O-N 3.21Å; R389-S393 PolarHBondContact O-OG 3.07Å; R389-V426 HydrophobicContact CB-CG1 4.5Å; R389-V426 HydrophobicContact CB-CG2 3.94Å; R389-V426 HydrophobicContact CG-CG2 4.38Å
390	E	90.3	Very high	87	Confident	133 Å²	133	52.9 Å²	52.9	62%	0.621	30%	0.3	S	S	*	.	H	α-helix	trans	-63	-49.6	-179.7	-75.3	175.1	-170.4	0	0	110.3	N386 A387 L392 S393 H394	N386-E390 PolarHBondContact O-N 2.77Å; A387-E390 PolarHBondContact O-N 2.68Å; A387-E390 VanDerWaalsContact O-N 3.15Å; E390-L392 PolarHBondContact O-N 2.91Å; E390-S393 PolarHBondContact O-N 3.04Å; E390-S393 PolarHBondContact O-OG 3.03Å; E390-H394 VanDerWaalsContact O-CB 3.22Å; E390-H394 WeakPolarHBondContact O-CB 2.96Å; E390-H394 PolarHBondContact O-N 3.12Å
391	T	89.4	Confident	85.9	Confident	30 Å²	30	61.2 Å²	61.2	18%	0.184	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-46.6	178.7	-56.4	0	0	0	0	111.8	I380 E382 A387 H394 H395	I380-T391 HydrophobicContact CG2-CG2 4.03Å; E382-T391 PolarHBondContact OE1-OG1 3.23Å; A387-T391 WeakPolarHBondContact O-CB 3.47Å; A387-T391 PolarHBondContact O-N 3.23Å; A387-T391 PolarHBondContact O-OG1 3.14Å; A387-T391 VanDerWaalsContact O-OG1 3.08Å; T391-H394 PolarHBondContact O-N 3.11Å; T391-H395 PolarHBondContact O-CD2 2.91Å; T391-H395 PolarHBondContact O-N 2.87Å
392	L	88.9	Confident	84.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-43	177.4	-74.3	171.7	0	0	0	112.7	I380 T388 E390 H395 C396 A421 V426 F430 L433	I380-L392 HydrophobicContact CD1-CD2 3.47Å; I380-L392 VanDerWaalsContact CD1-CD2 3.47Å; I380-L392 HydrophobicContact CD1-CG 4.39Å; T388-L392 HydrophobicContact CG2-CD1 3.82Å; T388-L392 HydrophobicContact CG2-CG 4.46Å; T388-L392 VanDerWaalsContact O-CB 3.3Å; T388-L392 WeakPolarHBondContact O-CB 3.43Å; T388-L392 VanDerWaalsContact O-CG 3.24Å; T388-L392 WeakPolarHBondContact O-CG 3Å; T388-L392 PolarHBondContact O-N 3.09Å; E390-L392 PolarHBondContact O-N 2.91Å; L392-H395 PolarHBondContact O-N 2.84Å; L392-C396 WeakPolarHBondContact O-CB 3.5Å; L392-C396 PolarHBondContact O-N 3.15Å; L392-C396 PolarHBondContact O-SG 3.22Å; L392-A421 HydrophobicContact CD1-CB 4.13Å; L392-V426 HydrophobicContact CD1-CG1 3.48Å; L392-V426 VanDerWaalsContact CD1-CG1 3.48Å; L392-F430 HydrophobicContact CD1-CB 4.03Å; L392-F430 HydrophobicContact CD2-CD2 4.47Å; L392-L433 HydrophobicContact CD2-CD2 3.67Å
393	S	89.3	Confident	83.6	Confident	43 Å²	43	58.4 Å²	58.4	30%	0.301	33%	0.327	S	S	.	.	H	α-helix	trans	-69.2	-35.8	179.8	64.5	0	0	0	0	111.8	R389 E390 C396 G397	R389-S393 VanDerWaalsContact O-CB 3.23Å; R389-S393 WeakPolarHBondContact O-CB 3.16Å; R389-S393 PolarHBondContact O-N 3.21Å; R389-S393 PolarHBondContact O-OG 3.07Å; E390-S393 PolarHBondContact O-N 3.04Å; E390-S393 PolarHBondContact O-OG 3.03Å; S393-C396 PolarHBondContact O-N 3.03Å; S393-G397 PolarHBondContact O-N 3.38Å
394	H	87.9	Confident	82.6	Confident	102 Å²	102	59.1 Å²	59.1	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-50.8	172.1	-179.8	-103.6	0	0	0	111.6	E390 T391 C396 G397 L398	E390-H394 VanDerWaalsContact O-CB 3.22Å; E390-H394 WeakPolarHBondContact O-CB 2.96Å; E390-H394 PolarHBondContact O-N 3.12Å; T391-H394 PolarHBondContact O-N 3.11Å; H394-C396 VanDerWaalsContact C-N 3.33Å; H394-C396 PolarHBondContact O-N 3.44Å; H394-G397 PolarHBondContact O-N 3.05Å; H394-G397 VanDerWaalsContact O-N 3.13Å; H394-L398 VanDerWaalsContact CE1-CD1 3.42Å; H394-L398 WeakPolarHBondContact CE1-CD1 3.42Å; H394-L398 WeakPolarHBondContact O-CG 3.39Å; H394-L398 PolarHBondContact O-N 2.96Å
395	H	85.3	Confident	81.6	Confident	31 Å²	31	62.4 Å²	62.4	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-36.5	177.9	-73.8	-56	0	0	0	113	T391 L392 L398 L399 L433 Y791	T391-H395 PolarHBondContact O-CD2 2.91Å; T391-H395 PolarHBondContact O-N 2.87Å; L392-H395 PolarHBondContact O-N 2.84Å; H395-L398 PolarHBondContact O-N 3.05Å; H395-L399 WeakPolarHBondContact O-CG 3.38Å; H395-L399 PolarHBondContact O-N 3.15Å; H395-L399 VanDerWaalsContact O-N 3.14Å; H395-L433 HydrophobicContact CB-CD1 4.2Å; H395-L433 HydrophobicContact CB-CD2 4.13Å; H395-Y791 AromaticContact CE1-CE1 3.82Å; H395-Y791 AromaticContact ND1-CE1 3.6Å; H395-Y791 AromaticContact ND1-CZ 3.64Å; H395-Y791 PolarHBondContact ND1-OH 3.46Å
396	C	83.9	Confident	80.4	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-46.4	171.4	-67.9	0	0	0	0	111	L392 S393 H394 L398 L399 G400 I403 Y429	L392-C396 WeakPolarHBondContact O-CB 3.5Å; L392-C396 PolarHBondContact O-N 3.15Å; L392-C396 PolarHBondContact O-SG 3.22Å; S393-C396 PolarHBondContact O-N 3.03Å; H394-C396 VanDerWaalsContact C-N 3.33Å; H394-C396 PolarHBondContact O-N 3.44Å; C396-L398 VanDerWaalsContact C-N 3.32Å; C396-L398 PolarHBondContact O-N 3.16Å; C396-L399 PolarHBondContact O-N 3.34Å; C396-L399 VanDerWaalsContact O-N 3.12Å; C396-G400 PolarHBondContact O-N 3.09Å; C396-I403 HydrophobicContact CB-CD1 4.27Å; C396-I403 WeakPolarHBondContact O-CD1 3.36Å; C396-Y429 HydrophobicContact CB-CD1 4.31Å; C396-Y429 PolarHBondContact SG-O 2.9Å
397	G	81.6	Confident	79.7	Confident	58 Å²	58	60.1 Å²	60.1	60%	0.598	31%	0.314	S	S	*	.	H	α-helix	trans	-58.2	-41.4	176.7	0	0	0	0	0	113.1	S393 H394 L399 G400	S393-G397 PolarHBondContact O-N 3.38Å; H394-G397 PolarHBondContact O-N 3.05Å; H394-G397 VanDerWaalsContact O-N 3.13Å; G397-L399 VanDerWaalsContact C-N 3.33Å; G397-L399 PolarHBondContact O-N 3.45Å; G397-G400 PolarHBondContact O-N 3.05Å
398	L	79.4	Confident	79.2	Confident	68 Å²	68	61.3 Å²	61.3	36%	0.356	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-35.8	175.3	-74.4	175.9	0	0	0	113	H394 H395 C396 Y791	H394-L398 VanDerWaalsContact CE1-CD1 3.42Å; H394-L398 WeakPolarHBondContact CE1-CD1 3.42Å; H394-L398 WeakPolarHBondContact O-CG 3.39Å; H394-L398 PolarHBondContact O-N 2.96Å; H395-L398 PolarHBondContact O-N 3.05Å; C396-L398 VanDerWaalsContact C-N 3.32Å; C396-L398 PolarHBondContact O-N 3.16Å; L398-Y791 HydrophobicContact CB-CE2 4.33Å; L398-Y791 HydrophobicContact CD1-CE1 4.45Å; L398-Y791 HydrophobicContact CD1-CE2 4.24Å; L398-Y791 VanDerWaalsContact CD1-OH 3.28Å; L398-Y791 WeakPolarHBondContact CD1-OH 3.34Å
399	L	74.9	Confident	79	Confident	9 Å²	9	61.5 Å²	61.5	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-74.1	-31	176	-73	169.5	0	0	0	111.9	H395 C396 G397 E401 A402 I403 F409 L433	H395-L399 WeakPolarHBondContact O-CG 3.38Å; H395-L399 PolarHBondContact O-N 3.15Å; H395-L399 VanDerWaalsContact O-N 3.14Å; C396-L399 PolarHBondContact O-N 3.34Å; C396-L399 VanDerWaalsContact O-N 3.12Å; G397-L399 VanDerWaalsContact C-N 3.33Å; G397-L399 PolarHBondContact O-N 3.45Å; L399-E401 PolarHBondContact O-N 2.95Å; L399-E401 VanDerWaalsContact O-N 3.16Å; L399-A402 WeakPolarHBondContact O-CA 3.43Å; L399-A402 WeakPolarHBondContact O-CB 3.41Å; L399-A402 PolarHBondContact O-N 2.89Å; L399-I403 HydrophobicContact CB-CG1 3.89Å; L399-F409 HydrophobicContact CD2-CD2 4.17Å; L399-F409 HydrophobicContact CD2-CE2 3.85Å; L399-L433 HydrophobicContact CD1-CD1 3.41Å; L399-L433 VanDerWaalsContact CD1-CD1 3.41Å
400	G	74.8	Confident	79	Confident	39 Å²	39	56.9 Å²	56.9	40%	0.402	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	49.7	-118.4	173.6	0	0	0	0	0	113	C396 G397 A402 I403	C396-G400 PolarHBondContact O-N 3.09Å; G397-G400 PolarHBondContact O-N 3.05Å; G400-A402 PolarHBondContact O-N 3.31Å; G400-I403 WeakPolarHBondContact O-CD1 3.39Å; G400-I403 VanDerWaalsContact O-CG1 3.27Å; G400-I403 WeakPolarHBondContact O-CG1 3.41Å; G400-I403 PolarHBondContact O-N 3.19Å
401	E	65.2	Low	79.1	Confident	176 Å²	176	50.5 Å²	50.5	82%	0.822	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-70.8	-3	177.5	-63.3	-166.3	170.9	0	0	115.3	L399 K405	L399-E401 PolarHBondContact O-N 2.95Å; L399-E401 VanDerWaalsContact O-N 3.16Å; E401-K405 PolarHBondContact O-NZ 3.33Å
402	A	65.2	Low	79.4	Confident	20 Å²	20	49.1 Å²	49.1	17%	0.165	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-91	-2.9	175.3	0	0	0	0	0	113.1	L399 G400 K405 N407	L399-A402 WeakPolarHBondContact O-CA 3.43Å; L399-A402 WeakPolarHBondContact O-CB 3.41Å; L399-A402 PolarHBondContact O-N 2.89Å; G400-A402 PolarHBondContact O-N 3.31Å; A402-K405 PolarHBondContact O-N 3.48Å; A402-K405 VanDerWaalsContact O-N 3.12Å; A402-N407 PolarHBondContact O-ND2 3.31Å
403	I	66.3	Low	79.6	Confident	43 Å²	43	49.1 Å²	49.1	22%	0.221	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	135.5	170.5	-59.9	170.3	0	0	0	108.6	C396 L399 G400 K405 D432 S436	C396-I403 HydrophobicContact CB-CD1 4.27Å; C396-I403 WeakPolarHBondContact O-CD1 3.36Å; L399-I403 HydrophobicContact CB-CG1 3.89Å; G400-I403 WeakPolarHBondContact O-CD1 3.39Å; G400-I403 VanDerWaalsContact O-CG1 3.27Å; G400-I403 WeakPolarHBondContact O-CG1 3.41Å; G400-I403 PolarHBondContact O-N 3.19Å; I403-K405 PolarHBondContact O-N 3.04Å; I403-D432 HydrophobicContact CG2-CB 4.04Å; I403-S436 WeakPolarHBondContact CA-OG 3.49Å
404	Y	67.9	Low	79.8	Confident	146 Å²	146	48.4 Å²	48.4	57%	0.573	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	-0	-172	-48.3	-68.2	0	0	0	116.4	D432 L435 S436	Y404-D432 HydrophobicContact CE1-CB 4.44Å; Y404-D432 VanDerWaalsContact CE1-OD1 3.29Å; Y404-D432 WeakPolarHBondContact CE1-OD1 3.43Å; Y404-D432 VanDerWaalsContact CZ-OD1 3.23Å; Y404-D432 PolarHBondContact OH-OD1 3.09Å; Y404-D432 PolarHBondContact OH-OD2 3.29Å; Y404-L435 HydrophobicContact CE1-CD1 4.28Å; Y404-S436 PolarHBondContact N-OG 3.18Å
405	K	70.1	Confident	80	Confident	121 Å²	121	43.9 Å²	43.9	53%	0.526	24%	0.236	S	C	.	.	S	Bend	trans	-92.2	147.2	168.1	-65.7	179.1	-175.3	144.6	0	109.7	E401 A402 I403 N407	E401-K405 PolarHBondContact O-NZ 3.33Å; A402-K405 PolarHBondContact O-N 3.48Å; A402-K405 VanDerWaalsContact O-N 3.12Å; I403-K405 PolarHBondContact O-N 3.04Å; K405-N407 PolarHBondContact O-N 3.11Å; K405-N407 PolarHBondContact O-ND2 3.04Å; K405-N407 VanDerWaalsContact O-ND2 3.17Å
406	E	65.4	Low	80.3	Confident	96 Å²	96	48.4 Å²	48.4	45%	0.449	26%	0.255	S	S	.	.			trans	-70.7	104.6	176.8	-70.7	-161.3	143.2	0	0	111.4	K349 K784	K349-E406 WeakPolarHBondContact CE-OE1 3.26Å; E406-K784 PolarHBondContact O-NZ 3.29Å
407	N	75.1	Confident	80.8	Confident	18 Å²	18	48 Å²	48	10%	0.096	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.2	175.2	-58.4	-51.9	0	0	0	110.1	A402 K405 F409 S436	A402-N407 PolarHBondContact O-ND2 3.31Å; K405-N407 PolarHBondContact O-N 3.11Å; K405-N407 PolarHBondContact O-ND2 3.04Å; K405-N407 VanDerWaalsContact O-ND2 3.17Å; N407-F409 HydrophobicContact CB-CD2 3.44Å; N407-F409 VanDerWaalsContact CB-CD2 3.44Å; N407-F409 HydrophobicContact CB-CE2 3.87Å; N407-F409 HydrophobicContact CB-CG 4.48Å; N407-F409 PolarHBondContact O-N 3.26Å; N407-S436 PolarHBondContact N-O 3.04Å
408	D	80.8	Confident	81.4	Confident	48 Å²	48	45.2 Å²	45.2	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	57.6	177.9	-60.7	-67.6	0	0	0	109.8	M375 G376 K438 K784	M375-D408 CarbonylContact C-O 3.4Å; M375-D408 VanDerWaalsContact CA-O 3.29Å; M375-D408 WeakPolarHBondContact CA-O 3.42Å; M375-D408 VanDerWaalsContact CG-O 3.26Å; M375-D408 WeakPolarHBondContact CG-O 3.46Å; G376-D408 PolarHBondContact N-O 3.22Å; D408-K438 IonicContact OD1-NZ 2.6Å; D408-K784 IonicContact OD2-NZ 3.33Å; D408-K784 PolarHBondContact OD2-NZ 3.11Å
409	F	86.5	Confident	82.1	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.1	173.8	-63.5	-67.5	0	0	0	111	G376 L378 L399 N407 K438 V788 Y791	G376-F409 CarbonylContact O-C 3.56Å; G376-F409 VanDerWaalsContact O-CA 3.22Å; G376-F409 WeakPolarHBondContact O-CA 3.02Å; L378-F409 HydrophobicContact CD1-CB 4.27Å; L378-F409 HydrophobicContact CD1-CG 4.49Å; L399-F409 HydrophobicContact CD2-CD2 4.17Å; L399-F409 HydrophobicContact CD2-CE2 3.85Å; N407-F409 HydrophobicContact CB-CD2 3.44Å; N407-F409 VanDerWaalsContact CB-CD2 3.44Å; N407-F409 HydrophobicContact CB-CE2 3.87Å; N407-F409 HydrophobicContact CB-CG 4.48Å; N407-F409 PolarHBondContact O-N 3.26Å; F409-K438 PolarHBondContact O-N 3.24Å; F409-V788 HydrophobicContact CZ-CG2 4.15Å; F409-Y791 HydrophobicContact CE1-CD2 4.01Å; F409-Y791 HydrophobicContact CE1-CG 4.03Å; F409-Y791 AromaticContact CZ-CD2 3.85Å; F409-Y791 HydrophobicContact CZ-CD2 3.85Å; F409-Y791 HydrophobicContact CZ-CE2 4.39Å; F409-Y791 HydrophobicContact CZ-CG 4.35Å
410	A	90.4	Very high	83	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.1	165.7	0	0	0	0	0	109.9	L371 M375 G376 M377 L378 A439	L371-A410 HydrophobicContact CD2-CB 3.31Å; M375-A410 HydrophobicContact CG-CB 4.16Å; M375-A410 HydrophobicContact SD-CB 3.47Å; M375-A410 WeakPolarHBondContact SD-CB 3.48Å; G376-A410 PolarHBondContact O-N 2.52Å; M377-A410 HydrophobicContact SD-CB 3.83Å; L378-A410 PolarHBondContact N-O 3.32Å; A410-A439 VanDerWaalsContact CA-O 3.31Å; A410-A439 WeakPolarHBondContact CA-O 3.16Å; A410-A439 HydrophobicContact CB-CB 4.34Å
411	L	93.4	Very high	83.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.2	175.1	-179.9	63.4	0	0	0	109.9	L378 I380 F430 L433 A434 C437 A439 V440 I441	L378-L411 HydrophobicContact CB-CD1 4.04Å; I380-L411 HydrophobicContact CD1-CD1 3.6Å; I380-L411 HydrophobicContact CG1-CD1 3.91Å; L411-F430 HydrophobicContact CD2-CD2 4.21Å; L411-F430 HydrophobicContact CD2-CE2 3.73Å; L411-L433 HydrophobicContact CD1-CD2 4.03Å; L411-L433 HydrophobicContact CD2-CD2 4.49Å; L411-L433 HydrophobicContact CD2-CG 4.45Å; L411-A434 HydrophobicContact CD2-CB 3.87Å; L411-C437 HydrophobicContact CB-CB 4.29Å; L411-A439 PolarHBondContact N-O 2.83Å; L411-V440 HydrophobicContact CB-CG1 4.31Å; L411-V440 HydrophobicContact CB-CG2 4.25Å; L411-V440 HydrophobicContact CD2-CG1 4.29Å; L411-V440 HydrophobicContact CG-CG1 4.46Å; L411-V440 CarbonylContact O-C 3.59Å; L411-V440 WeakPolarHBondContact O-CA 3.2Å; L411-I441 PolarHBondContact O-N 3.3Å
412	I	94.2	Very high	85.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.6	171.6	-60	120.2	0	0	0	108.6	Q358 I362 M377 L378 V379 I380 I441	Q358-I412 HydrophobicContact CG-CG2 3.77Å; I362-I412 HydrophobicContact CD1-CD1 4.31Å; I362-I412 HydrophobicContact CD1-CG1 4.5Å; I362-I412 HydrophobicContact CD1-CG2 4.4Å; I362-I412 HydrophobicContact CG1-CD1 4.32Å; I362-I412 HydrophobicContact CG1-CG1 4.25Å; M377-I412 HydrophobicContact CB-CD1 4.25Å; M377-I412 HydrophobicContact CE-CD1 3.2Å; M377-I412 HydrophobicContact CE-CG1 4.38Å; M377-I412 HydrophobicContact SD-CD1 3.73Å; L378-I412 PolarHBondContact O-N 2.99Å; V379-I412 WeakPolarHBondContact CA-O 3.45Å; V379-I412 HydrophobicContact CG2-CB 4.29Å; V379-I412 HydrophobicContact CG2-CD1 3.92Å; I380-I412 PolarHBondContact N-O 2.88Å; I412-I441 VanDerWaalsContact CA-O 3.31Å; I412-I441 WeakPolarHBondContact CA-O 3.39Å; I412-I441 HydrophobicContact CG1-CB 4.28Å
413	I	94.7	Very high	86.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.1	-178.9	-170.1	170.3	0	0	0	110	T417 L418 A421 F430 I441 C442 C443	I413-T417 HydrophobicContact CD1-CG2 3.94Å; I413-T417 HydrophobicContact CG1-CG2 3.95Å; I413-L418 HydrophobicContact CD1-CB 4.25Å; I413-L418 HydrophobicContact CD1-CD1 4.31Å; I413-L418 HydrophobicContact CG1-CB 4.35Å; I413-L418 HydrophobicContact CG2-CD1 4.49Å; I413-A421 HydrophobicContact CD1-CB 4.05Å; I413-F430 HydrophobicContact CD1-CD2 3.98Å; I413-F430 HydrophobicContact CD1-CE2 3.72Å; I413-F430 HydrophobicContact CD1-CZ 4.49Å; I413-F430 HydrophobicContact CG2-CE2 4.15Å; I413-F430 HydrophobicContact CG2-CZ 4.42Å; I413-I441 PolarHBondContact N-O 3.26Å; I413-I441 VanDerWaalsContact N-O 3.08Å; I413-C442 HydrophobicContact CG2-CB 4.13Å; I413-C442 VanDerWaalsContact CG2-SG 3.57Å; I413-C442 CarbonylContact O-C 3.46Å; I413-C442 WeakPolarHBondContact O-CA 3.38Å; I413-C443 PolarHBondContact O-N 3.07Å
414	D	92.8	Very high	87.2	Confident	28 Å²	28	51.3 Å²	51.3	15%	0.15	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	161.8	176	87.6	-36.7	0	0	0	112.5	K416 T417 L418 C443	D414-K416 VanDerWaalsContact C-N 3.25Å; D414-K416 PolarHBondContact O-N 2.78Å; D414-T417 PolarHBondContact O-N 2.82Å; D414-T417 WeakPolarHBondContact OD1-CB 3.41Å; D414-T417 PolarHBondContact OD1-N 3.18Å; D414-T417 PolarHBondContact OD1-OG1 2.6Å; D414-L418 VanDerWaalsContact O-CB 3.23Å; D414-L418 WeakPolarHBondContact O-CB 3.46Å; D414-L418 PolarHBondContact O-N 3.29Å; D414-C443 CarbonylContact C-O 3.54Å
415	G	91.9	Very high	88	Confident	7 Å²	7	46 Å²	46	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-28.4	-175.8	0	0	0	0	0	114.1	K419 C443 Q449	G415-K419 PolarHBondContact O-N 3.14Å; G415-C443 PolarHBondContact N-O 3.41Å; G415-Q449 PolarHBondContact O-NE2 3.49Å
416	K	91.6	Very high	89	Confident	127 Å²	127	40.2 Å²	40.2	55%	0.552	20%	0.196	S	C	*	.	H	α-helix	trans	-71.6	-51.1	176.8	-65.7	-179.9	-179.3	178.4	0	110.7	D414 L418 K419 Y420	D414-K416 VanDerWaalsContact C-N 3.25Å; D414-K416 PolarHBondContact O-N 2.78Å; K416-L418 VanDerWaalsContact C-N 3.28Å; K416-L418 PolarHBondContact O-N 2.98Å; K416-K419 VanDerWaalsContact O-CB 3.3Å; K416-K419 WeakPolarHBondContact O-CB 3.46Å; K416-K419 PolarHBondContact O-N 3.29Å; K416-K419 VanDerWaalsContact O-N 3.15Å; K416-Y420 WeakPolarHBondContact O-CD2 3.49Å; K416-Y420 PolarHBondContact O-N 3.22Å
417	T	94.1	Very high	90.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-41	176.2	-52.7	0	0	0	0	110.6	I380 E382 T388 I413 D414 K419 Y420 A421	I380-T417 HydrophobicContact CG2-CG2 3.83Å; E382-T417 HydrophobicContact CB-CG2 4.22Å; E382-T417 PolarHBondContact N-OG1 3.27Å; E382-T417 PolarHBondContact O-OG1 3.19Å; T388-T417 HydrophobicContact CG2-CG2 3.64Å; I413-T417 HydrophobicContact CD1-CG2 3.94Å; I413-T417 HydrophobicContact CG1-CG2 3.95Å; D414-T417 PolarHBondContact O-N 2.82Å; D414-T417 WeakPolarHBondContact OD1-CB 3.41Å; D414-T417 PolarHBondContact OD1-N 3.18Å; D414-T417 PolarHBondContact OD1-OG1 2.6Å; T417-K419 VanDerWaalsContact C-N 3.25Å; T417-K419 PolarHBondContact O-N 3.14Å; T417-Y420 CarbonylContact O-C 3.5Å; T417-Y420 PolarHBondContact O-N 2.92Å; T417-A421 WeakPolarHBondContact O-CB 3.5Å; T417-A421 PolarHBondContact O-N 2.92Å
418	L	94.4	Very high	91	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-38.5	177.3	-178.1	64.6	0	0	0	111.9	I413 D414 K416 Y420 A421 L422 F430 C442 V445 Q449 V453	I413-L418 HydrophobicContact CD1-CB 4.25Å; I413-L418 HydrophobicContact CD1-CD1 4.31Å; I413-L418 HydrophobicContact CG1-CB 4.35Å; I413-L418 HydrophobicContact CG2-CD1 4.49Å; D414-L418 VanDerWaalsContact O-CB 3.23Å; D414-L418 WeakPolarHBondContact O-CB 3.46Å; D414-L418 PolarHBondContact O-N 3.29Å; K416-L418 VanDerWaalsContact C-N 3.28Å; K416-L418 PolarHBondContact O-N 2.98Å; L418-Y420 VanDerWaalsContact C-N 3.33Å; L418-Y420 PolarHBondContact O-N 3.2Å; L418-A421 PolarHBondContact O-N 3.21Å; L418-L422 HydrophobicContact CD1-CD1 4Å; L418-L422 HydrophobicContact CD1-CD2 4.42Å; L418-L422 HydrophobicContact CD1-CG 3.96Å; L418-L422 HydrophobicContact CD2-CD1 4.42Å; L418-L422 HydrophobicContact CG-CD1 3.82Å; L418-L422 HydrophobicContact CG-CG 4.21Å; L418-L422 WeakPolarHBondContact O-CB 3.49Å; L418-L422 VanDerWaalsContact O-CG 3.25Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 3.45Å; L418-F430 HydrophobicContact CD1-CE1 3.81Å; L418-F430 HydrophobicContact CD1-CE2 4.42Å; L418-F430 HydrophobicContact CD1-CZ 3.73Å; L418-C442 HydrophobicContact CD2-CB 4.39Å; L418-V445 HydrophobicContact CD2-CG1 3.96Å; L418-V445 HydrophobicContact CD2-CG2 4.05Å; L418-Q449 HydrophobicContact CD2-CB 4.3Å; L418-V453 HydrophobicContact CD1-CG2 3.95Å; L418-V453 HydrophobicContact CD2-CG2 3.89Å; L418-V453 HydrophobicContact CG-CG2 4.39Å
419	K	93.9	Very high	91.5	Very high	143 Å²	143	46.2 Å²	46.2	62%	0.622	21%	0.214	S	C	*	.	H	α-helix	trans	-60	-43.5	175.2	-171.2	176.3	-179.3	174.6	0	111.8	G415 K416 T417 T423	G415-K419 PolarHBondContact O-N 3.14Å; K416-K419 VanDerWaalsContact O-CB 3.3Å; K416-K419 WeakPolarHBondContact O-CB 3.46Å; K416-K419 PolarHBondContact O-N 3.29Å; K416-K419 VanDerWaalsContact O-N 3.15Å; T417-K419 VanDerWaalsContact C-N 3.25Å; T417-K419 PolarHBondContact O-N 3.14Å; K419-T423 PolarHBondContact O-OG1 2.9Å; K419-T423 VanDerWaalsContact O-OG1 3.05Å
420	Y	93.6	Very high	91.8	Very high	79 Å²	79	46 Å²	46	31%	0.31	21%	0.213	S	C	.	.	H	α-helix	trans	-69	-41.8	175	-59.2	-53.8	0	0	0	111.6	L385 K416 T417 L418 L422 T423	L385-Y420 HydrophobicContact CB-CD1 3.91Å; L385-Y420 HydrophobicContact CB-CG 4.3Å; L385-Y420 HydrophobicContact CD1-CD1 4.49Å; K416-Y420 WeakPolarHBondContact O-CD2 3.49Å; K416-Y420 PolarHBondContact O-N 3.22Å; T417-Y420 CarbonylContact O-C 3.5Å; T417-Y420 PolarHBondContact O-N 2.92Å; L418-Y420 VanDerWaalsContact C-N 3.33Å; L418-Y420 PolarHBondContact O-N 3.2Å; Y420-L422 VanDerWaalsContact C-N 3.3Å; Y420-L422 PolarHBondContact O-N 3.39Å; Y420-T423 WeakPolarHBondContact O-CB 3.4Å; Y420-T423 PolarHBondContact O-N 3.17Å; Y420-T423 VanDerWaalsContact O-N 3.08Å; Y420-T423 PolarHBondContact O-OG1 2.76Å
421	A	93.3	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-36.7	179.3	0	0	0	0	0	112.3	T388 L392 I413 T417 L418 T423 V426 R427 F430	T388-A421 HydrophobicContact CG2-CB 4.28Å; L392-A421 HydrophobicContact CD1-CB 4.13Å; I413-A421 HydrophobicContact CD1-CB 4.05Å; T417-A421 WeakPolarHBondContact O-CB 3.5Å; T417-A421 PolarHBondContact O-N 2.92Å; L418-A421 PolarHBondContact O-N 3.21Å; A421-T423 PolarHBondContact O-N 3.06Å; A421-V426 CarbonylContact O-C 3.53Å; A421-R427 WeakPolarHBondContact O-CA 3.26Å; A421-R427 PolarHBondContact O-N 3.45Å; A421-F430 HydrophobicContact CB-CB 4.02Å; A421-F430 HydrophobicContact CB-CD2 4.3Å; A421-F430 HydrophobicContact CB-CG 4.02Å
422	L	92.4	Very high	91.6	Very high	6 Å²	6	47 Å²	47	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.9	177.9	-68.2	172.2	0	0	0	113.7	L418 Y420 R427 E452 V453 M456	L418-L422 HydrophobicContact CD1-CD1 4Å; L418-L422 HydrophobicContact CD1-CD2 4.42Å; L418-L422 HydrophobicContact CD1-CG 3.96Å; L418-L422 HydrophobicContact CD2-CD1 4.42Å; L418-L422 HydrophobicContact CG-CD1 3.82Å; L418-L422 HydrophobicContact CG-CG 4.21Å; L418-L422 WeakPolarHBondContact O-CB 3.49Å; L418-L422 VanDerWaalsContact O-CG 3.25Å; L418-L422 WeakPolarHBondContact O-CG 3.36Å; L418-L422 PolarHBondContact O-N 3.45Å; Y420-L422 VanDerWaalsContact C-N 3.3Å; Y420-L422 PolarHBondContact O-N 3.39Å; L422-R427 VanDerWaalsContact O-CZ 3.32Å; L422-R427 PolarHBondContact O-NE 3.46Å; L422-R427 PolarHBondContact O-NH2 3Å; L422-E452 HydrophobicContact CD1-CB 3.95Å; L422-E452 WeakPolarHBondContact CD1-OE2 3.5Å; L422-V453 HydrophobicContact CD1-CG2 4.23Å; L422-V453 HydrophobicContact CD2-CG2 4.45Å; L422-M456 HydrophobicContact CD2-CE 4.46Å; L422-M456 HydrophobicContact CD2-SD 3.84Å
423	T	91.4	Very high	91.5	Very high	60 Å²	60	47 Å²	47	37%	0.368	22%	0.218	S	C	.	.	S	Bend	trans	-71.1	154.9	177.7	-58.5	0	0	0	0	111.7	L385 K419 Y420 A421 G425 V426 R427	L385-T423 HydrophobicContact CD1-CG2 3.96Å; K419-T423 PolarHBondContact O-OG1 2.9Å; K419-T423 VanDerWaalsContact O-OG1 3.05Å; Y420-T423 WeakPolarHBondContact O-CB 3.4Å; Y420-T423 PolarHBondContact O-N 3.17Å; Y420-T423 VanDerWaalsContact O-N 3.08Å; Y420-T423 PolarHBondContact O-OG1 2.76Å; A421-T423 PolarHBondContact O-N 3.06Å; T423-G425 PolarHBondContact O-N 2.85Å; T423-V426 PolarHBondContact O-N 3.15Å; T423-R427 PolarHBondContact O-N 3.17Å
424	F	83.2	Confident	91.3	Very high	195 Å²	195	47 Å²	47	86%	0.855	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	131.9	-177.6	-164	-93.6	0	0	0	112.2	V426	F424-V426 VanDerWaalsContact C-N 3.34Å; F424-V426 PolarHBondContact O-N 2.92Å
425	G	84.8	Confident	91.1	Very high	33 Å²	33	46.4 Å²	46.4	34%	0.34	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-18.2	-179.6	0	0	0	0	0	116	T423	T423-G425 PolarHBondContact O-N 2.85Å
426	V	91.2	Very high	90.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-28	172.1	-171.3	0	0	0	0	111.2	T388 R389 L392 A421 T423 F424 Q428 Y429 F430	T388-V426 HydrophobicContact CG2-CG1 4.35Å; R389-V426 HydrophobicContact CB-CG1 4.5Å; R389-V426 HydrophobicContact CB-CG2 3.94Å; R389-V426 HydrophobicContact CG-CG2 4.38Å; L392-V426 HydrophobicContact CD1-CG1 3.48Å; L392-V426 VanDerWaalsContact CD1-CG1 3.48Å; A421-V426 CarbonylContact O-C 3.53Å; T423-V426 PolarHBondContact O-N 3.15Å; F424-V426 VanDerWaalsContact C-N 3.34Å; F424-V426 PolarHBondContact O-N 2.92Å; V426-Q428 PolarHBondContact O-N 2.95Å; V426-Q428 VanDerWaalsContact O-N 3.1Å; V426-Y429 PolarHBondContact O-N 3.21Å; V426-F430 PolarHBondContact O-N 2.89Å; V426-F430 VanDerWaalsContact O-N 3.16Å
427	R	91.7	Very high	90.8	Very high	113 Å²	113	40.2 Å²	40.2	43%	0.426	19%	0.186	S	C	.	.	H	α-helix	trans	-48	-41	179.1	-173.2	-177.3	-65.8	-167.4	-5.6	114.2	A421 L422 T423 F430 L431 M456	A421-R427 WeakPolarHBondContact O-CA 3.26Å; A421-R427 PolarHBondContact O-N 3.45Å; L422-R427 VanDerWaalsContact O-CZ 3.32Å; L422-R427 PolarHBondContact O-NE 3.46Å; L422-R427 PolarHBondContact O-NH2 3Å; T423-R427 PolarHBondContact O-N 3.17Å; R427-F430 PolarHBondContact O-N 3.46Å; R427-L431 WeakPolarHBondContact O-CB 3.26Å; R427-L431 PolarHBondContact O-N 3.14Å; R427-M456 HydrophobicContact CG-CG 3.98Å; R427-M456 HydrophobicContact CG-SD 3.64Å
428	Q	90.2	Very high	90.4	Very high	77 Å²	77	43.6 Å²	43.6	36%	0.36	20%	0.201	S	C	.	.	H	α-helix	trans	-64.3	-47.7	-179.2	-171.1	58.2	41.3	0	0	111.8	V426 F430 L431 D432	V426-Q428 PolarHBondContact O-N 2.95Å; V426-Q428 VanDerWaalsContact O-N 3.1Å; Q428-F430 VanDerWaalsContact C-N 3.34Å; Q428-F430 PolarHBondContact O-N 2.74Å; Q428-L431 PolarHBondContact O-N 2.88Å; Q428-D432 VanDerWaalsContact NE2-CG 3.25Å; Q428-D432 PolarHBondContact NE2-OD1 3.5Å; Q428-D432 PolarHBondContact NE2-OD2 2.91Å; Q428-D432 WeakPolarHBondContact O-CB 3.27Å; Q428-D432 PolarHBondContact O-N 3.44Å
429	Y	91.2	Very high	90.2	Very high	99 Å²	99	43.6 Å²	43.6	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-43.7	178	-66.8	-73.4	0	0	0	111.7	C396 V426 D432 L433	C396-Y429 HydrophobicContact CB-CD1 4.31Å; C396-Y429 PolarHBondContact SG-O 2.9Å; V426-Y429 PolarHBondContact O-N 3.21Å; Y429-D432 PolarHBondContact O-N 3.05Å; Y429-L433 WeakPolarHBondContact O-CB 3.3Å; Y429-L433 PolarHBondContact O-N 3.48Å
430	F	92.9	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-47.6	176.3	172.2	-114.7	0	0	0	111.8	L392 L411 I413 L418 A421 V426 R427 Q428 L433 A434 M456	L392-F430 HydrophobicContact CD1-CB 4.03Å; L392-F430 HydrophobicContact CD2-CD2 4.47Å; L411-F430 HydrophobicContact CD2-CD2 4.21Å; L411-F430 HydrophobicContact CD2-CE2 3.73Å; I413-F430 HydrophobicContact CD1-CD2 3.98Å; I413-F430 HydrophobicContact CD1-CE2 3.72Å; I413-F430 HydrophobicContact CD1-CZ 4.49Å; I413-F430 HydrophobicContact CG2-CE2 4.15Å; I413-F430 HydrophobicContact CG2-CZ 4.42Å; L418-F430 HydrophobicContact CD1-CE1 3.81Å; L418-F430 HydrophobicContact CD1-CE2 4.42Å; L418-F430 HydrophobicContact CD1-CZ 3.73Å; A421-F430 HydrophobicContact CB-CB 4.02Å; A421-F430 HydrophobicContact CB-CD2 4.3Å; A421-F430 HydrophobicContact CB-CG 4.02Å; V426-F430 PolarHBondContact O-N 2.89Å; V426-F430 VanDerWaalsContact O-N 3.16Å; R427-F430 PolarHBondContact O-N 3.46Å; Q428-F430 VanDerWaalsContact C-N 3.34Å; Q428-F430 PolarHBondContact O-N 2.74Å; F430-L433 PolarHBondContact O-N 2.83Å; F430-A434 HydrophobicContact CE2-CB 4.44Å; F430-A434 HydrophobicContact CZ-CB 4.48Å; F430-A434 WeakPolarHBondContact O-CB 3.41Å; F430-A434 PolarHBondContact O-N 3.44Å; F430-M456 HydrophobicContact CD1-CE 3.73Å; F430-M456 HydrophobicContact CD1-SD 3.88Å; F430-M456 HydrophobicContact CE1-CE 3.54Å; F430-M456 HydrophobicContact CE1-SD 4.24Å
431	L	91.6	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-47.9	179.6	-178.8	71.3	0	0	0	111.4	R427 Q428 L433 A434 L435 M456 V457 Q460	R427-L431 WeakPolarHBondContact O-CB 3.26Å; R427-L431 PolarHBondContact O-N 3.14Å; Q428-L431 PolarHBondContact O-N 2.88Å; L431-L433 VanDerWaalsContact C-N 3.28Å; L431-L433 PolarHBondContact O-N 3.26Å; L431-A434 PolarHBondContact O-N 3.25Å; L431-A434 VanDerWaalsContact O-N 3.14Å; L431-L435 HydrophobicContact CD1-CD1 3.92Å; L431-L435 HydrophobicContact CD1-CD2 4.05Å; L431-L435 HydrophobicContact CD1-CG 3.8Å; L431-L435 HydrophobicContact CD2-CD1 4.08Å; L431-L435 HydrophobicContact CG-CD1 3.66Å; L431-L435 HydrophobicContact CG-CG 3.94Å; L431-L435 WeakPolarHBondContact O-CB 3.38Å; L431-L435 WeakPolarHBondContact O-CG 3.17Å; L431-L435 PolarHBondContact O-N 3.35Å; L431-M456 HydrophobicContact CB-CE 4.38Å; L431-M456 HydrophobicContact CB-SD 4.1Å; L431-M456 HydrophobicContact CD1-CE 3.74Å; L431-M456 HydrophobicContact CD1-CG 4.36Å; L431-M456 HydrophobicContact CD1-SD 4.3Å; L431-V457 HydrophobicContact CD1-CG2 3.99Å; L431-Q460 HydrophobicContact CD2-CB 3.54Å; L431-Q460 HydrophobicContact CD2-CG 3.3Å
432	D	89.2	Confident	90.5	Very high	20 Å²	20	33 Å²	33	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-39.6	-177.4	-66.7	-23.9	0	0	0	111.5	I403 Y404 Q428 Y429 S436	I403-D432 HydrophobicContact CG2-CB 4.04Å; Y404-D432 HydrophobicContact CE1-CB 4.44Å; Y404-D432 VanDerWaalsContact CE1-OD1 3.29Å; Y404-D432 WeakPolarHBondContact CE1-OD1 3.43Å; Y404-D432 VanDerWaalsContact CZ-OD1 3.23Å; Y404-D432 PolarHBondContact OH-OD1 3.09Å; Y404-D432 PolarHBondContact OH-OD2 3.29Å; Q428-D432 VanDerWaalsContact NE2-CG 3.25Å; Q428-D432 PolarHBondContact NE2-OD1 3.5Å; Q428-D432 PolarHBondContact NE2-OD2 2.91Å; Q428-D432 WeakPolarHBondContact O-CB 3.27Å; Q428-D432 PolarHBondContact O-N 3.44Å; Y429-D432 PolarHBondContact O-N 3.05Å; D432-S436 WeakPolarHBondContact O-CB 3.09Å; D432-S436 PolarHBondContact O-N 3.05Å; D432-S436 PolarHBondContact O-OG 3.41Å
433	L	90.4	Very high	90.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-48.5	172.9	-174.1	61.8	0	0	0	111.7	L378 I380 L392 H395 L399 L411 Y429 F430 L431 L435 S436 C437	L378-L433 HydrophobicContact CD1-CD1 4.02Å; I380-L433 HydrophobicContact CD1-CD2 3.76Å; L392-L433 HydrophobicContact CD2-CD2 3.67Å; H395-L433 HydrophobicContact CB-CD1 4.2Å; H395-L433 HydrophobicContact CB-CD2 4.13Å; L399-L433 HydrophobicContact CD1-CD1 3.41Å; L399-L433 VanDerWaalsContact CD1-CD1 3.41Å; L411-L433 HydrophobicContact CD1-CD2 4.03Å; L411-L433 HydrophobicContact CD2-CD2 4.49Å; L411-L433 HydrophobicContact CD2-CG 4.45Å; Y429-L433 WeakPolarHBondContact O-CB 3.3Å; Y429-L433 PolarHBondContact O-N 3.48Å; F430-L433 PolarHBondContact O-N 2.83Å; L431-L433 VanDerWaalsContact C-N 3.28Å; L431-L433 PolarHBondContact O-N 3.26Å; L433-L435 PolarHBondContact O-N 2.97Å; L433-S436 WeakPolarHBondContact O-CB 3.31Å; L433-S436 PolarHBondContact O-N 3.28Å; L433-C437 PolarHBondContact O-N 3.47Å; L433-C437 PolarHBondContact O-SG 3.33Å
434	A	91.6	Very high	90.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-37.2	-176.9	0	0	0	0	0	112.8	W351 L411 F430 L431 S436 C437 V440	W351-A434 HydrophobicContact CH2-CB 3.39Å; W351-A434 HydrophobicContact CZ2-CB 3.74Å; W351-A434 HydrophobicContact CZ3-CB 4.19Å; L411-A434 HydrophobicContact CD2-CB 3.87Å; F430-A434 HydrophobicContact CE2-CB 4.44Å; F430-A434 HydrophobicContact CZ-CB 4.48Å; F430-A434 WeakPolarHBondContact O-CB 3.41Å; F430-A434 PolarHBondContact O-N 3.44Å; L431-A434 PolarHBondContact O-N 3.25Å; L431-A434 VanDerWaalsContact O-N 3.14Å; A434-S436 VanDerWaalsContact C-N 3.28Å; A434-S436 PolarHBondContact O-N 3.15Å; A434-C437 PolarHBondContact O-N 2.84Å; A434-V440 HydrophobicContact CB-CG2 4.1Å
435	L	89.4	Confident	91.1	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.079	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-28.1	176	-66.2	177	0	0	0	112.8	Y89 K349 W351 Y404 L431 L433 V461	Y89-L435 HydrophobicContact CE1-CD2 3.98Å; Y89-L435 WeakPolarHBondContact OH-CD2 3.42Å; K349-L435 PolarHBondContact NZ-O 2.79Å; W351-L435 HydrophobicContact CZ2-CD2 4.45Å; Y404-L435 HydrophobicContact CE1-CD1 4.28Å; L431-L435 HydrophobicContact CD1-CD1 3.92Å; L431-L435 HydrophobicContact CD1-CD2 4.05Å; L431-L435 HydrophobicContact CD1-CG 3.8Å; L431-L435 HydrophobicContact CD2-CD1 4.08Å; L431-L435 HydrophobicContact CG-CD1 3.66Å; L431-L435 HydrophobicContact CG-CG 3.94Å; L431-L435 WeakPolarHBondContact O-CB 3.38Å; L431-L435 WeakPolarHBondContact O-CG 3.17Å; L431-L435 PolarHBondContact O-N 3.35Å; L433-L435 PolarHBondContact O-N 2.97Å; L435-V461 HydrophobicContact CD1-CG2 3.79Å; L435-V461 HydrophobicContact CD2-CG2 3.61Å; L435-V461 HydrophobicContact CG-CG2 4.36Å
436	S	87.7	Confident	91.5	Very high	1 Å²	1	28 Å²	28	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-80.6	-18.4	177.6	-54.5	0	0	0	0	112.8	I403 Y404 N407 D432 L433 A434	I403-S436 WeakPolarHBondContact CA-OG 3.49Å; Y404-S436 PolarHBondContact N-OG 3.18Å; N407-S436 PolarHBondContact N-O 3.04Å; D432-S436 WeakPolarHBondContact O-CB 3.09Å; D432-S436 PolarHBondContact O-N 3.05Å; D432-S436 PolarHBondContact O-OG 3.41Å; L433-S436 WeakPolarHBondContact O-CB 3.31Å; L433-S436 PolarHBondContact O-N 3.28Å; A434-S436 VanDerWaalsContact C-N 3.28Å; A434-S436 PolarHBondContact O-N 3.15Å
437	C	87.7	Confident	91.6	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.014	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	148.8	174.4	-65.5	0	0	0	0	111	L411 L433 A434 V440	L411-C437 HydrophobicContact CB-CB 4.29Å; L433-C437 PolarHBondContact O-N 3.47Å; L433-C437 PolarHBondContact O-SG 3.33Å; A434-C437 PolarHBondContact O-N 2.84Å; C437-V440 HydrophobicContact CB-CG2 4.32Å
438	K	85.9	Confident	91.7	Very high	72 Å²	72	30.9 Å²	30.9	31%	0.313	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-33.5	178.1	-165.8	176.4	-170.1	177.5	0	112	M344 M375 D408 F409	M344-K438 HydrophobicContact CE-CD 4.08Å; M344-K438 HydrophobicContact CE-CG 3.95Å; M375-K438 HydrophobicContact CE-CB 3.87Å; M375-K438 HydrophobicContact CE-CD 3.64Å; M375-K438 HydrophobicContact CE-CG 4.15Å; D408-K438 IonicContact OD1-NZ 2.6Å; F409-K438 PolarHBondContact O-N 3.24Å
439	A	90.3	Very high	91.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.9	177.3	0	0	0	0	0	110.1	L370 L371 A410 L411	L370-A439 HydrophobicContact CD1-CB 3.72Å; L370-A439 HydrophobicContact CD2-CB 4.06Å; L370-A439 HydrophobicContact CG-CB 3.62Å; L371-A439 HydrophobicContact CD2-CB 4.4Å; A410-A439 VanDerWaalsContact CA-O 3.31Å; A410-A439 WeakPolarHBondContact CA-O 3.16Å; A410-A439 HydrophobicContact CB-CB 4.34Å; L411-A439 PolarHBondContact N-O 2.83Å
440	V	95.3	Very high	92.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.8	175.4	-177.5	0	0	0	0	108.3	W351 I352 L411 A434 C437	W351-V440 CarbonylContact C-O 3.56Å; W351-V440 VanDerWaalsContact CA-O 3.3Å; W351-V440 WeakPolarHBondContact CA-O 3.47Å; W351-V440 HydrophobicContact CB-CB 4.36Å; W351-V440 HydrophobicContact CD2-CB 3.66Å; W351-V440 HydrophobicContact CD2-CG1 4.19Å; W351-V440 HydrophobicContact CD2-CG2 3.82Å; W351-V440 VanDerWaalsContact CE2-CG2 3.49Å; W351-V440 HydrophobicContact CE3-CB 4.07Å; W351-V440 HydrophobicContact CE3-CG1 4.07Å; W351-V440 HydrophobicContact CE3-CG2 4.36Å; W351-V440 HydrophobicContact CG-CB 3.77Å; W351-V440 HydrophobicContact CG-CG2 4.19Å; W351-V440 HydrophobicContact CH2-CG2 4.41Å; W351-V440 HydrophobicContact CZ2-CG2 3.82Å; W351-V440 HydrophobicContact CZ3-CG1 4.46Å; I352-V440 PolarHBondContact N-O 2.86Å; L411-V440 HydrophobicContact CB-CG1 4.31Å; L411-V440 HydrophobicContact CB-CG2 4.25Å; L411-V440 HydrophobicContact CD2-CG1 4.29Å; L411-V440 HydrophobicContact CG-CG1 4.46Å; L411-V440 CarbonylContact O-C 3.59Å; L411-V440 WeakPolarHBondContact O-CA 3.2Å; A434-V440 HydrophobicContact CB-CG2 4.1Å; C437-V440 HydrophobicContact CB-CG2 4.32Å
441	I	96.2	Very high	92.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114.5	177	-55.8	-176.5	0	0	0	107.8	I352 A361 L370 L371 L411 I412 I413	I352-I441 HydrophobicContact CB-CG1 4.37Å; I352-I441 HydrophobicContact CB-CG2 4.41Å; I352-I441 WeakPolarHBondContact O-CA 3.45Å; A361-I441 HydrophobicContact CB-CG2 3.66Å; L370-I441 HydrophobicContact CD2-CG1 4.48Å; L371-I441 HydrophobicContact CD1-CD1 3.74Å; L371-I441 HydrophobicContact CD2-CD1 4.09Å; L371-I441 HydrophobicContact CG-CD1 4.03Å; L411-I441 PolarHBondContact O-N 3.3Å; I412-I441 VanDerWaalsContact CA-O 3.31Å; I412-I441 WeakPolarHBondContact CA-O 3.39Å; I412-I441 HydrophobicContact CG1-CB 4.28Å; I413-I441 PolarHBondContact N-O 3.26Å; I413-I441 VanDerWaalsContact N-O 3.08Å
442	C	96.1	Very high	92.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124	173.6	-55.9	0	0	0	0	108.7	I352 L353 T354 I413 L418 V445	I352-C442 PolarHBondContact O-N 2.89Å; L353-C442 HydrophobicContact CD2-CB 3.64Å; L353-C442 VanDerWaalsContact CD2-SG 3.53Å; T354-C442 PolarHBondContact N-O 3.43Å; I413-C442 HydrophobicContact CG2-CB 4.13Å; I413-C442 VanDerWaalsContact CG2-SG 3.57Å; I413-C442 CarbonylContact O-C 3.46Å; I413-C442 WeakPolarHBondContact O-CA 3.38Å; L418-C442 HydrophobicContact CD2-CB 4.39Å; C442-V445 VanDerWaalsContact C-CG2 3.48Å; C442-V445 HydrophobicContact CB-CG2 3.43Å; C442-V445 VanDerWaalsContact CB-CG2 3.43Å; C442-V445 WeakPolarHBondContact O-CG2 3.24Å
443	C	94	Very high	92.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.6	-173	-53.6	0	0	0	0	111.2	T354 Q358 I413 D414 G415 V445	T354-C443 CarbonylContact O-C 3.54Å; Q358-C443 HydrophobicContact CB-CB 4.18Å; I413-C443 PolarHBondContact O-N 3.07Å; D414-C443 CarbonylContact C-O 3.54Å; G415-C443 PolarHBondContact N-O 3.41Å; C443-V445 PolarHBondContact O-N 2.94Å
444	R	90.7	Very high	93	Very high	134 Å²	134	26.8 Å²	26.8	51%	0.506	14%	0.135	S	C	.	.	S	Bend	trans	49.4	39.4	-178	-60.5	-170.2	178.8	-173.2	4.1	113.9	T354 D356	T354-R444 PolarHBondContact O-N 3.3Å; D356-R444 WeakPolarHBondContact O-CG 3.25Å; D356-R444 PolarHBondContact O-N 2.81Å
445	V	94.1	Very high	93.2	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.042	15%	0.152	C	C	.	.			trans	-86.8	130.1	-176.3	-171.1	0	0	0	0	110.1	T354 L418 C442 C443 Q449 K450	T354-V445 PolarHBondContact O-N 3.47Å; L418-V445 HydrophobicContact CD2-CG1 3.96Å; L418-V445 HydrophobicContact CD2-CG2 4.05Å; C442-V445 VanDerWaalsContact C-CG2 3.48Å; C442-V445 HydrophobicContact CB-CG2 3.43Å; C442-V445 VanDerWaalsContact CB-CG2 3.43Å; C442-V445 WeakPolarHBondContact O-CG2 3.24Å; C443-V445 PolarHBondContact O-N 2.94Å; V445-Q449 HydrophobicContact CG1-CB 3.4Å; V445-Q449 VanDerWaalsContact CG1-CB 3.4Å; V445-K450 HydrophobicContact CB-CG 4.33Å; V445-K450 HydrophobicContact CG1-CG 3.78Å
446	S	93.9	Very high	93.4	Very high	48 Å²	48	30.2 Å²	30.2	34%	0.336	15%	0.15	S	C	.	.			trans	-73.5	156.4	172.5	64	0	0	0	0	112	L448 Q449 K450	S446-L448 PolarHBondContact O-N 3.47Å; S446-L448 VanDerWaalsContact O-N 3.17Å; S446-Q449 PolarHBondContact O-N 2.62Å; S446-Q449 VanDerWaalsContact OG-CG 3.25Å; S446-Q449 WeakPolarHBondContact OG-CG 3.48Å; S446-Q449 PolarHBondContact OG-N 3.03Å; S446-Q449 PolarHBondContact OG-OE1 2.72Å; S446-K450 PolarHBondContact O-N 3.24Å
447	P	93.1	Very high	93.7	Very high	58 Å²	58	30.1 Å²	30.1	38%	0.377	15%	0.15	S	C	.	.	H	α-helix	trans	-50.2	-42.1	177.5	-30.8	37.1	0	0	0	114	K450 S451 N473	P447-K450 WeakPolarHBondContact O-CB 3.47Å; P447-K450 PolarHBondContact O-N 3.1Å; P447-S451 PolarHBondContact O-N 3.01Å; P447-N473 WeakPolarHBondContact CB-O 3.23Å; P447-N473 HydrophobicContact CG-CB 3.91Å
448	L	93.8	Very high	94	Very high	114 Å²	114	32.9 Å²	32.9	60%	0.597	16%	0.162	S	C	*	.	H	α-helix	trans	-63.7	-43.7	177.6	-178.6	66	0	0	0	111.9	S446 K450 S451 E452	S446-L448 PolarHBondContact O-N 3.47Å; S446-L448 VanDerWaalsContact O-N 3.17Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 3.49Å; L448-S451 PolarHBondContact O-N 3.33Å; L448-S451 PolarHBondContact O-OG 2.9Å; L448-E452 WeakPolarHBondContact O-CG 3.41Å; L448-E452 PolarHBondContact O-N 2.84Å
449	Q	95	Very high	94.2	Very high	20 Å²	20	36.4 Å²	36.4	9%	0.093	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-32.9	178	-71.8	172	-55.9	0	0	111.9	G415 L418 V445 S446 S451 E452 V453	G415-Q449 PolarHBondContact O-NE2 3.49Å; L418-Q449 HydrophobicContact CD2-CB 4.3Å; V445-Q449 HydrophobicContact CG1-CB 3.4Å; V445-Q449 VanDerWaalsContact CG1-CB 3.4Å; S446-Q449 PolarHBondContact O-N 2.62Å; S446-Q449 VanDerWaalsContact OG-CG 3.25Å; S446-Q449 WeakPolarHBondContact OG-CG 3.48Å; S446-Q449 PolarHBondContact OG-N 3.03Å; S446-Q449 PolarHBondContact OG-OE1 2.72Å; Q449-S451 VanDerWaalsContact C-N 3.34Å; Q449-S451 PolarHBondContact O-N 3.23Å; Q449-E452 PolarHBondContact O-N 3.07Å; Q449-V453 WeakPolarHBondContact O-CG2 3.29Å; Q449-V453 PolarHBondContact O-N 2.82Å
450	K	95.6	Very high	94.1	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-48.5	173	-61.7	-167.6	-174.9	-170.4	0	110.5	D93 L353 V445 S446 P447 L448 E452 V453 V454 D474 M477	D93-K450 IonicContact OD1-NZ 3.16Å; D93-K450 PolarHBondContact OD1-NZ 3.02Å; L353-K450 HydrophobicContact CB-CD 4.26Å; L353-K450 HydrophobicContact CB-CG 4.12Å; L353-K450 HydrophobicContact CD1-CB 4.27Å; L353-K450 WeakPolarHBondContact O-CE 3.24Å; L353-K450 PolarHBondContact O-NZ 3.16Å; L353-K450 VanDerWaalsContact O-NZ 3.1Å; V445-K450 HydrophobicContact CB-CG 4.33Å; V445-K450 HydrophobicContact CG1-CG 3.78Å; S446-K450 PolarHBondContact O-N 3.24Å; P447-K450 WeakPolarHBondContact O-CB 3.47Å; P447-K450 PolarHBondContact O-N 3.1Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 3.49Å; K450-E452 PolarHBondContact O-N 3.28Å; K450-V453 PolarHBondContact O-N 3.5Å; K450-V454 WeakPolarHBondContact O-CG2 3.3Å; K450-V454 PolarHBondContact O-N 2.56Å; K450-D474 IonicContact NZ-OD1 2.7Å; K450-D474 PolarHBondContact NZ-OD1 2.57Å; K450-M477 HydrophobicContact CB-CB 4Å; K450-M477 HydrophobicContact CB-CG 4.2Å; K450-M477 HydrophobicContact CB-SD 4.24Å; K450-M477 HydrophobicContact CD-SD 4.25Å
451	S	95.6	Very high	93.6	Very high	17 Å²	17	42.2 Å²	42.2	12%	0.119	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-40.4	176.2	49.5	0	0	0	0	113.1	P447 L448 Q449 V453 V454 E455 T480	P447-S451 PolarHBondContact O-N 3.01Å; L448-S451 PolarHBondContact O-N 3.33Å; L448-S451 PolarHBondContact O-OG 2.9Å; Q449-S451 VanDerWaalsContact C-N 3.34Å; Q449-S451 PolarHBondContact O-N 3.23Å; S451-V453 VanDerWaalsContact C-N 3.33Å; S451-V453 PolarHBondContact O-N 2.81Å; S451-V454 PolarHBondContact O-N 2.83Å; S451-E455 WeakPolarHBondContact O-CB 3.21Å; S451-E455 PolarHBondContact O-N 3.01Å; S451-T480 WeakPolarHBondContact CB-OG1 3.29Å
452	E	95.5	Very high	93.2	Very high	68 Å²	68	51 Å²	51	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-38.3	179.2	-73	175.1	173.2	0	0	112.4	L422 L448 Q449 K450 E455 M456	L422-E452 HydrophobicContact CD1-CB 3.95Å; L422-E452 WeakPolarHBondContact CD1-OE2 3.5Å; L448-E452 WeakPolarHBondContact O-CG 3.41Å; L448-E452 PolarHBondContact O-N 2.84Å; Q449-E452 PolarHBondContact O-N 3.07Å; K450-E452 PolarHBondContact O-N 3.28Å; E452-E455 PolarHBondContact O-N 3.36Å; E452-M456 WeakPolarHBondContact O-CB 3.43Å; E452-M456 PolarHBondContact O-N 3.5Å
453	V	95.7	Very high	92.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-46.9	175.2	171.9	0	0	0	0	110.9	F91 W351 L353 L418 L422 Q449 K450 S451 E455 M456 V457	F91-V453 HydrophobicContact CE1-CG1 4.22Å; W351-V453 HydrophobicContact CE3-CG1 3.96Å; W351-V453 HydrophobicContact CZ3-CG1 3.88Å; L353-V453 HydrophobicContact CD1-CB 4.27Å; L353-V453 HydrophobicContact CD1-CG1 4.18Å; L353-V453 HydrophobicContact CD2-CG1 4.1Å; L418-V453 HydrophobicContact CD1-CG2 3.95Å; L418-V453 HydrophobicContact CD2-CG2 3.89Å; L418-V453 HydrophobicContact CG-CG2 4.39Å; L422-V453 HydrophobicContact CD1-CG2 4.23Å; L422-V453 HydrophobicContact CD2-CG2 4.45Å; Q449-V453 WeakPolarHBondContact O-CG2 3.29Å; Q449-V453 PolarHBondContact O-N 2.82Å; K450-V453 PolarHBondContact O-N 3.5Å; S451-V453 VanDerWaalsContact C-N 3.33Å; S451-V453 PolarHBondContact O-N 2.81Å; V453-E455 VanDerWaalsContact C-N 3.33Å; V453-E455 PolarHBondContact O-N 3.1Å; V453-M456 PolarHBondContact O-N 2.69Å; V453-V457 WeakPolarHBondContact O-CG2 3.21Å; V453-V457 PolarHBondContact O-N 2.75Å; V453-V457 VanDerWaalsContact O-N 3.15Å
454	V	96	Very high	92.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-45	177.2	177.1	0	0	0	0	110.7	F91 L353 K450 S451 M456 V457 K458 M477 T480 A481	F91-V454 HydrophobicContact CB-CG2 4.02Å; F91-V454 HydrophobicContact CD1-CG2 4.09Å; F91-V454 HydrophobicContact CD2-CB 4.38Å; F91-V454 HydrophobicContact CD2-CG1 4.16Å; F91-V454 HydrophobicContact CD2-CG2 3.66Å; F91-V454 HydrophobicContact CE1-CG2 4.5Å; F91-V454 HydrophobicContact CE2-CB 4.41Å; F91-V454 HydrophobicContact CE2-CG1 4.14Å; F91-V454 HydrophobicContact CE2-CG2 4.11Å; F91-V454 HydrophobicContact CG-CG2 3.64Å; L353-V454 HydrophobicContact CD1-CG2 4.38Å; K450-V454 WeakPolarHBondContact O-CG2 3.3Å; K450-V454 PolarHBondContact O-N 2.56Å; S451-V454 PolarHBondContact O-N 2.83Å; V454-M456 PolarHBondContact O-N 2.62Å; V454-V457 PolarHBondContact O-N 3.33Å; V454-K458 WeakPolarHBondContact O-CB 3.38Å; V454-K458 PolarHBondContact O-N 3.17Å; V454-M477 HydrophobicContact CG2-CG 3.55Å; V454-T480 HydrophobicContact CB-CG2 4.26Å; V454-T480 HydrophobicContact CG1-CG2 4.15Å; V454-A481 HydrophobicContact CG1-CB 3.97Å
455	E	95.1	Very high	93.2	Very high	79 Å²	79	47.8 Å²	47.8	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-42.9	179.7	-166.2	-178.9	-175.7	0	0	112	S451 E452 V453 K458 K459 T480	S451-E455 WeakPolarHBondContact O-CB 3.21Å; S451-E455 PolarHBondContact O-N 3.01Å; E452-E455 PolarHBondContact O-N 3.36Å; V453-E455 VanDerWaalsContact C-N 3.33Å; V453-E455 PolarHBondContact O-N 3.1Å; E455-K458 PolarHBondContact O-N 3.12Å; E455-K459 HydrophobicContact CG-CD 3.99Å; E455-K459 HydrophobicContact CG-CG 4.39Å; E455-K459 WeakPolarHBondContact O-CB 3.09Å; E455-K459 WeakPolarHBondContact O-CG 3.47Å; E455-K459 PolarHBondContact O-N 3.28Å; E455-K459 WeakPolarHBondContact OE1-CE 3.23Å; E455-K459 IonicContact OE1-NZ 3.68Å; E455-K459 PolarHBondContact OE1-NZ 3.43Å; E455-T480 HydrophobicContact CB-CG2 3.75Å; E455-T480 HydrophobicContact CG-CG2 4.35Å
456	M	94.2	Very high	93.4	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-51.6	176.8	178.1	-167.3	63.9	0	0	111.1	L422 R427 F430 L431 E452 V453 V454 Q460	L422-M456 HydrophobicContact CD2-CE 4.46Å; L422-M456 HydrophobicContact CD2-SD 3.84Å; R427-M456 HydrophobicContact CG-CG 3.98Å; R427-M456 HydrophobicContact CG-SD 3.64Å; F430-M456 HydrophobicContact CD1-CE 3.73Å; F430-M456 HydrophobicContact CD1-SD 3.88Å; F430-M456 HydrophobicContact CE1-CE 3.54Å; F430-M456 HydrophobicContact CE1-SD 4.24Å; L431-M456 HydrophobicContact CB-CE 4.38Å; L431-M456 HydrophobicContact CB-SD 4.1Å; L431-M456 HydrophobicContact CD1-CE 3.74Å; L431-M456 HydrophobicContact CD1-CG 4.36Å; L431-M456 HydrophobicContact CD1-SD 4.3Å; E452-M456 WeakPolarHBondContact O-CB 3.43Å; E452-M456 PolarHBondContact O-N 3.5Å; V453-M456 PolarHBondContact O-N 2.69Å; V454-M456 PolarHBondContact O-N 2.62Å; M456-Q460 WeakPolarHBondContact O-CB 3.3Å; M456-Q460 PolarHBondContact O-N 3.01Å
457	V	93.8	Very high	93.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-44.1	-179.4	178.1	0	0	0	0	110.7	Y89 F91 W351 L431 V453 V454 K459 Q460 V461 T465	Y89-V457 HydrophobicContact CD1-CG1 4.2Å; Y89-V457 HydrophobicContact CD2-CG1 4.41Å; Y89-V457 HydrophobicContact CE1-CG1 4.39Å; Y89-V457 HydrophobicContact CG-CG1 4.22Å; F91-V457 HydrophobicContact CE1-CG2 4.19Å; F91-V457 HydrophobicContact CZ-CB 3.75Å; F91-V457 HydrophobicContact CZ-CG1 3.91Å; F91-V457 HydrophobicContact CZ-CG2 3.86Å; W351-V457 HydrophobicContact CE3-CG2 4.5Å; W351-V457 HydrophobicContact CH2-CG2 3.65Å; W351-V457 HydrophobicContact CZ2-CG2 4.44Å; W351-V457 HydrophobicContact CZ3-CG2 3.71Å; L431-V457 HydrophobicContact CD1-CG2 3.99Å; V453-V457 WeakPolarHBondContact O-CG2 3.21Å; V453-V457 PolarHBondContact O-N 2.75Å; V453-V457 VanDerWaalsContact O-N 3.15Å; V454-V457 PolarHBondContact O-N 3.33Å; V457-K459 PolarHBondContact O-N 3.26Å; V457-Q460 PolarHBondContact O-N 3.02Å; V457-V461 HydrophobicContact CG1-CG2 3.99Å; V457-V461 WeakPolarHBondContact O-CB 3.37Å; V457-V461 WeakPolarHBondContact O-CG2 3.31Å; V457-V461 PolarHBondContact O-N 3.37Å; V457-T465 HydrophobicContact CG1-CG2 4.35Å
458	K	93.7	Very high	93.8	Very high	60 Å²	60	42.4 Å²	42.4	26%	0.261	20%	0.203	S	C	.	.	H	α-helix	trans	-57.1	-49.7	178.6	168.4	161.2	178.1	-177.4	0	112.3	V454 E455 Q460 T465 T480 A481 H482	V454-K458 WeakPolarHBondContact O-CB 3.38Å; V454-K458 PolarHBondContact O-N 3.17Å; E455-K458 PolarHBondContact O-N 3.12Å; K458-Q460 VanDerWaalsContact C-N 3.34Å; K458-Q460 PolarHBondContact O-N 2.87Å; K458-T465 HydrophobicContact CB-CG2 4.36Å; K458-T480 VanDerWaalsContact CD-O 3.28Å; K458-T480 WeakPolarHBondContact CD-O 3.35Å; K458-T480 PolarHBondContact NZ-O 3.08Å; K458-A481 PolarHBondContact NZ-O 3.05Å; K458-H482 WeakPolarHBondContact CE-NE2 3.35Å; K458-H482 VanDerWaalsContact CG-CE1 3.42Å; K458-H482 WeakPolarHBondContact CG-CE1 3.43Å
459	K	91.1	Very high	93.8	Very high	145 Å²	145	37 Å²	37	63%	0.63	18%	0.175	S	C	*	.	H	α-helix	trans	-67.3	-34.7	-177.9	-76.2	-179.7	171.3	174.3	0	112.8	E455 V457	E455-K459 HydrophobicContact CG-CD 3.99Å; E455-K459 HydrophobicContact CG-CG 4.39Å; E455-K459 WeakPolarHBondContact O-CB 3.09Å; E455-K459 WeakPolarHBondContact O-CG 3.47Å; E455-K459 PolarHBondContact O-N 3.28Å; E455-K459 WeakPolarHBondContact OE1-CE 3.23Å; E455-K459 IonicContact OE1-NZ 3.68Å; E455-K459 PolarHBondContact OE1-NZ 3.43Å; V457-K459 PolarHBondContact O-N 3.26Å
460	Q	88.2	Confident	93.7	Very high	79 Å²	79	36.2 Å²	36.2	37%	0.369	17%	0.171	S	C	.	.	H	α-helix	trans	-93.8	-40.4	-169.1	-167.4	146.4	-6.7	0	0	114.3	L431 M456 V457 K458	L431-Q460 HydrophobicContact CD2-CB 3.54Å; L431-Q460 HydrophobicContact CD2-CG 3.3Å; M456-Q460 WeakPolarHBondContact O-CB 3.3Å; M456-Q460 PolarHBondContact O-N 3.01Å; V457-Q460 PolarHBondContact O-N 3.02Å; K458-Q460 VanDerWaalsContact C-N 3.34Å; K458-Q460 PolarHBondContact O-N 2.87Å
461	V	85.1	Confident	93.3	Very high	43 Å²	43	36.2 Å²	36.2	26%	0.261	17%	0.173	S	C	.	.	H	α-helix	trans	-86.1	-18.9	-175.7	-168.3	0	0	0	0	111.7	Y89 L435 V457 V463	Y89-V461 HydrophobicContact CE2-CG1 4.19Å; L435-V461 HydrophobicContact CD1-CG2 3.79Å; L435-V461 HydrophobicContact CD2-CG2 3.61Å; L435-V461 HydrophobicContact CG-CG2 4.36Å; V457-V461 HydrophobicContact CG1-CG2 3.99Å; V457-V461 WeakPolarHBondContact O-CB 3.37Å; V457-V461 WeakPolarHBondContact O-CG2 3.31Å; V457-V461 PolarHBondContact O-N 3.37Å; V461-V463 HydrophobicContact CB-CG2 3.92Å; V461-V463 HydrophobicContact CG1-CB 4.35Å; V461-V463 HydrophobicContact CG1-CG1 3.94Å; V461-V463 HydrophobicContact CG1-CG2 3.55Å; V461-V463 PolarHBondContact O-N 2.9Å
462	K	86.4	Confident	93	Very high	186 Å²	186	38 Å²	38	81%	0.809	19%	0.189	S	C	*	.			trans	51.7	36.4	-178.9	-59	-177.5	-179.1	178.6	0	113.4
463	V	89	Confident	92.6	Very high	39 Å²	39	39.7 Å²	39.7	24%	0.236	20%	0.2	C	C	.	.	S	Bend	trans	-116.2	162.5	174.3	-64.9	0	0	0	0	110	K88 Y89 V461 T465 H482	K88-V463 HydrophobicContact CB-CB 4.09Å; K88-V463 HydrophobicContact CB-CG2 4.04Å; K88-V463 HydrophobicContact CG-CB 4.28Å; K88-V463 HydrophobicContact CG-CG1 4.44Å; Y89-V463 HydrophobicContact CD2-CG2 3.6Å; Y89-V463 HydrophobicContact CE2-CG2 3.78Å; V461-V463 HydrophobicContact CB-CG2 3.92Å; V461-V463 HydrophobicContact CG1-CB 4.35Å; V461-V463 HydrophobicContact CG1-CG1 3.94Å; V461-V463 HydrophobicContact CG1-CG2 3.55Å; V461-V463 PolarHBondContact O-N 2.9Å; V463-T465 PolarHBondContact O-N 2.85Å; V463-H482 PolarHBondContact O-CE1 3.21Å; V463-H482 PolarHBondContact O-ND1 3.37Å
464	I	94.9	Very high	92.5	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.138	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	127.3	-179.7	-52.6	-50.2	0	0	0	109.9	E83 Q86 V87 K88 Y89 H482 V483	E83-I464 HydrophobicContact CB-CG2 4.22Å; E83-I464 WeakPolarHBondContact OE2-CD1 3.38Å; E83-I464 WeakPolarHBondContact OE2-CG1 3.24Å; Q86-I464 HydrophobicContact CB-CB 4.38Å; Q86-I464 HydrophobicContact CB-CG1 3.87Å; V87-I464 HydrophobicContact CG2-CG2 4.15Å; K88-I464 PolarHBondContact N-O 3.17Å; Y89-I464 PolarHBondContact N-O 3.27Å; I464-H482 HydrophobicContact CG2-CB 3.93Å; I464-V483 HydrophobicContact CG2-CG2 4.43Å
465	T	96.6	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.2	-177.2	54.9	0	0	0	0	109.2	F91 V457 K458 V463 H482 V483	F91-T465 HydrophobicContact CE2-CG2 3.87Å; V457-T465 HydrophobicContact CG1-CG2 4.35Å; K458-T465 HydrophobicContact CB-CG2 4.36Å; V463-T465 PolarHBondContact O-N 2.85Å; T465-H482 PolarHBondContact N-ND1 3.26Å; T465-H482 WeakPolarHBondContact O-CB 3.34Å; T465-H482 PolarHBondContact O-N 3.33Å; T465-H482 PolarHBondContact OG1-N 3.42Å; T465-H482 PolarHBondContact OG1-ND1 3.45Å; T465-V483 PolarHBondContact O-N 2.78Å; T465-V483 VanDerWaalsContact O-N 3.09Å
466	L	98.3	Very high	92.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.7	175.2	-175.3	151	0	0	0	109.2	L84 V87 Y89 I90 F91 I468 V483 V485 L509 L513	L84-L466 HydrophobicContact CD2-CD1 4.41Å; V87-L466 HydrophobicContact CG1-CB 3.64Å; V87-L466 HydrophobicContact CG1-CD1 4.43Å; V87-L466 HydrophobicContact CG2-CB 4.2Å; V87-L466 HydrophobicContact CG2-CD1 4.11Å; Y89-L466 PolarHBondContact O-N 3.23Å; I90-L466 CarbonylContact C-O 3.55Å; I90-L466 VanDerWaalsContact CA-O 3.31Å; I90-L466 WeakPolarHBondContact CA-O 3.46Å; I90-L466 HydrophobicContact CG1-CB 4.22Å; I90-L466 HydrophobicContact CG1-CD2 4.16Å; I90-L466 HydrophobicContact CG2-CD2 4.08Å; F91-L466 WeakPolarHBondContact CD2-O 3.18Å; F91-L466 PolarHBondContact N-O 2.87Å; L466-I468 HydrophobicContact CD2-CB 4.18Å; L466-V483 VanDerWaalsContact CA-O 3.28Å; L466-V483 WeakPolarHBondContact CA-O 3.31Å; L466-V483 HydrophobicContact CD1-CB 4.44Å; L466-V483 HydrophobicContact CD1-CG1 4.19Å; L466-V483 HydrophobicContact CG-CB 4.39Å; L466-V483 HydrophobicContact CG-CG1 4.43Å; L466-V485 HydrophobicContact CD1-CG2 3.83Å; L466-V485 HydrophobicContact CD2-CB 4.43Å; L466-V485 HydrophobicContact CD2-CG2 3.98Å; L466-V485 HydrophobicContact CG-CG2 4Å; L466-L509 HydrophobicContact CD1-CD1 4.15Å; L466-L509 HydrophobicContact CD2-CD1 4.3Å; L466-L513 HydrophobicContact CD1-CD1 4.37Å; L466-L513 HydrophobicContact CD1-CD2 3.84Å
467	A	98	Very high	92.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.2	171.3	0	0	0	0	0	109.9	F91 M477 I478 A481 V483 V485	F91-A467 HydrophobicContact CB-CB 4.49Å; F91-A467 CarbonylContact O-C 3.54Å; F91-A467 WeakPolarHBondContact O-CA 3.33Å; A467-M477 HydrophobicContact CB-CE 4.16Å; A467-M477 HydrophobicContact CB-CG 3.86Å; A467-M477 WeakPolarHBondContact CB-O 3.3Å; A467-M477 HydrophobicContact CB-SD 4.44Å; A467-I478 HydrophobicContact CB-CG1 4.45Å; A467-A481 HydrophobicContact CB-CB 3.6Å; A467-V483 PolarHBondContact N-O 2.98Å; A467-V485 PolarHBondContact O-N 2.89Å
468	I	97.6	Very high	92.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.7	178.5	-172.2	168	0	0	0	111.6	I90 F91 D93 T97 L466 M477 V485 I487 I503 F506 L509	I90-I468 HydrophobicContact CG2-CG2 4.06Å; F91-I468 PolarHBondContact O-N 3.01Å; D93-I468 PolarHBondContact N-O 3.36Å; T97-I468 HydrophobicContact CG2-CG1 4.15Å; T97-I468 HydrophobicContact CG2-CG2 4.2Å; L466-I468 HydrophobicContact CD2-CB 4.18Å; I468-M477 WeakPolarHBondContact O-CE 3.36Å; I468-V485 VanDerWaalsContact CA-O 3.27Å; I468-V485 WeakPolarHBondContact CA-O 3.32Å; I468-V485 HydrophobicContact CB-CB 4.19Å; I468-V485 HydrophobicContact CD1-CB 4.31Å; I468-V485 HydrophobicContact CD1-CG1 3.86Å; I468-V485 HydrophobicContact CG1-CB 4.09Å; I468-V485 HydrophobicContact CG1-CG1 4.02Å; I468-I487 HydrophobicContact CD1-CD1 3.96Å; I468-I487 HydrophobicContact CD1-CG1 4.1Å; I468-I487 HydrophobicContact CG1-CD1 4.1Å; I468-I487 HydrophobicContact CG1-CG1 4.16Å; I468-I503 HydrophobicContact CD1-CD1 4.02Å; I468-F506 HydrophobicContact CD1-CD2 3.93Å; I468-F506 HydrophobicContact CD1-CE2 4.3Å; I468-F506 HydrophobicContact CG2-CE2 4.16Å; I468-L509 HydrophobicContact CD1-CD2 4.24Å
469	G	94.8	Very high	92.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	165.3	-179.3	0	0	0	0	0	112.1	T97 V485 G486 I487	T97-G469 VanDerWaalsContact OG1-CA 3.31Å; T97-G469 WeakPolarHBondContact OG1-CA 3.4Å; G469-V485 PolarHBondContact N-O 3.09Å; G469-G486 CarbonylContact O-C 3.59Å; G469-G486 WeakPolarHBondContact O-CA 3.41Å; G469-I487 PolarHBondContact O-N 3.15Å
470	D	92.4	Very high	93	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	20%	0.198	C	C	.	.	S	Bend	trans	-116.3	-28.1	178	69.4	-52.6	0	0	0	112.8	G96 T97 D474 I487 A495	G96-D470 VanDerWaalsContact CA-OD2 3.3Å; G96-D470 WeakPolarHBondContact CA-OD2 3.47Å; T97-D470 PolarHBondContact OG1-N 3.16Å; T97-D470 PolarHBondContact OG1-OD1 3.44Å; D470-D474 PolarHBondContact N-OD2 3.33Å; D470-I487 HydrophobicContact CB-CB 3.88Å; D470-I487 HydrophobicContact CB-CG2 4.12Å; D470-A495 VanDerWaalsContact C-CB 3.41Å; D470-A495 WeakPolarHBondContact O-CB 3.28Å
471	G	88.2	Confident	93.4	Very high	6 Å²	6	32.9 Å²	32.9	6%	0.062	18%	0.184	C	C	.	.	S	Bend	trans	-91.1	166.7	-173.3	0	0	0	0	0	115.6	N473 D474	G471-N473 PolarHBondContact O-N 3.14Å; G471-D474 PolarHBondContact N-OD2 2.93Å; G471-D474 PolarHBondContact O-N 2.76Å; G471-D474 VanDerWaalsContact O-N 3.1Å
472	A	88.1	Confident	93.9	Very high	55 Å²	55	33.6 Å²	33.6	46%	0.455	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-57	-32.6	172.3	0	0	0	0	0	112.9	D474 V475	A472-D474 PolarHBondContact O-N 3.07Å; A472-V475 WeakPolarHBondContact O-CB 3.44Å; A472-V475 WeakPolarHBondContact O-CG2 3.27Å; A472-V475 PolarHBondContact O-N 2.9Å
473	N	88.6	Confident	94.5	Very high	102 Å²	102	24.7 Å²	24.7	55%	0.545	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-64.7	-17.4	179.7	-66.8	-28.5	0	0	0	113.2	P447 G471	P447-N473 WeakPolarHBondContact CB-O 3.23Å; P447-N473 HydrophobicContact CG-CB 3.91Å; G471-N473 PolarHBondContact O-N 3.14Å
474	D	93.1	Very high	94.9	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-99.4	-10.3	-177.1	-57.1	-43.1	0	0	0	112.7	K450 D470 G471 A472 G476 M477 I478	K450-D474 IonicContact NZ-OD1 2.7Å; K450-D474 PolarHBondContact NZ-OD1 2.57Å; D470-D474 PolarHBondContact N-OD2 3.33Å; G471-D474 PolarHBondContact N-OD2 2.93Å; G471-D474 PolarHBondContact O-N 2.76Å; G471-D474 VanDerWaalsContact O-N 3.1Å; A472-D474 PolarHBondContact O-N 3.07Å; D474-G476 VanDerWaalsContact C-N 3.29Å; D474-G476 PolarHBondContact O-N 3.17Å; D474-M477 HydrophobicContact CB-CE 4.12Å; D474-M477 WeakPolarHBondContact O-CA 3.39Å; D474-M477 WeakPolarHBondContact O-CB 3.01Å; D474-M477 PolarHBondContact O-N 3.05Å; D474-I478 HydrophobicContact CB-CD1 4.16Å; D474-I478 WeakPolarHBondContact O-CB 3.32Å; D474-I478 VanDerWaalsContact O-CG1 3.32Å; D474-I478 WeakPolarHBondContact O-CG1 3.37Å; D474-I478 PolarHBondContact O-N 3.16Å
475	V	94.4	Very high	95.1	Very high	26 Å²	26	21.6 Å²	21.6	16%	0.158	13%	0.128	C	C	.	.	H	α-helix	trans	-55.8	-44.5	-177.6	173.6	0	0	0	0	111.4	A472 M477 I478 Q479	A472-V475 WeakPolarHBondContact O-CB 3.44Å; A472-V475 WeakPolarHBondContact O-CG2 3.27Å; A472-V475 PolarHBondContact O-N 2.9Å; V475-M477 VanDerWaalsContact C-N 3.34Å; V475-M477 PolarHBondContact O-N 3.1Å; V475-I478 PolarHBondContact O-N 3.43Å; V475-Q479 HydrophobicContact CG1-CG 4.34Å; V475-Q479 WeakPolarHBondContact O-CB 3.4Å; V475-Q479 VanDerWaalsContact O-CG 3.31Å; V475-Q479 WeakPolarHBondContact O-CG 3.35Å; V475-Q479 PolarHBondContact O-N 3.24Å
476	G	94.7	Very high	95	Very high	26 Å²	26	21.6 Å²	21.6	27%	0.268	13%	0.128	S	C	.	.	H	α-helix	trans	-63.3	-39	177.2	0	0	0	0	0	112.8	D474 T480	D474-G476 VanDerWaalsContact C-N 3.29Å; D474-G476 PolarHBondContact O-N 3.17Å; G476-T480 VanDerWaalsContact O-CB 3.3Å; G476-T480 WeakPolarHBondContact O-CB 3.47Å; G476-T480 PolarHBondContact O-N 3.17Å; G476-T480 PolarHBondContact O-OG1 3.37Å
477	M	96.1	Very high	94.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-46.4	176.3	-174.2	-172.9	62.4	0	0	111.3	F91 L353 K450 V454 A467 I468 D474 V475 T480 A481	F91-M477 HydrophobicContact CB-SD 4Å; L353-M477 HydrophobicContact CB-SD 4.45Å; L353-M477 HydrophobicContact CD1-SD 3.85Å; K450-M477 HydrophobicContact CB-CB 4Å; K450-M477 HydrophobicContact CB-CG 4.2Å; K450-M477 HydrophobicContact CB-SD 4.24Å; K450-M477 HydrophobicContact CD-SD 4.25Å; V454-M477 HydrophobicContact CG2-CG 3.55Å; A467-M477 HydrophobicContact CB-CE 4.16Å; A467-M477 HydrophobicContact CB-CG 3.86Å; A467-M477 WeakPolarHBondContact CB-O 3.3Å; A467-M477 HydrophobicContact CB-SD 4.44Å; I468-M477 WeakPolarHBondContact O-CE 3.36Å; D474-M477 HydrophobicContact CB-CE 4.12Å; D474-M477 WeakPolarHBondContact O-CA 3.39Å; D474-M477 WeakPolarHBondContact O-CB 3.01Å; D474-M477 PolarHBondContact O-N 3.05Å; V475-M477 VanDerWaalsContact C-N 3.34Å; V475-M477 PolarHBondContact O-N 3.1Å; M477-T480 PolarHBondContact O-N 2.95Å; M477-A481 PolarHBondContact O-N 2.86Å
478	I	95.9	Very high	94.2	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-49.4	179.1	-72	172.3	0	0	0	110.8	A467 D474 V475 T480 A481 A495	A467-I478 HydrophobicContact CB-CG1 4.45Å; D474-I478 HydrophobicContact CB-CD1 4.16Å; D474-I478 WeakPolarHBondContact O-CB 3.32Å; D474-I478 VanDerWaalsContact O-CG1 3.32Å; D474-I478 WeakPolarHBondContact O-CG1 3.37Å; D474-I478 PolarHBondContact O-N 3.16Å; V475-I478 PolarHBondContact O-N 3.43Å; I478-T480 VanDerWaalsContact C-N 3.28Å; I478-T480 PolarHBondContact O-N 3.38Å; I478-A481 PolarHBondContact O-N 3.38Å; I478-A495 HydrophobicContact CD1-CB 3.85Å
479	Q	95.4	Very high	92.9	Very high	129 Å²	129	24 Å²	24	60%	0.603	15%	0.149	S	C	*	.	H	α-helix	trans	-68.4	-26.5	-179.4	-71.1	177.6	-13.8	0	0	113.4	V475	V475-Q479 HydrophobicContact CG1-CG 4.34Å; V475-Q479 WeakPolarHBondContact O-CB 3.4Å; V475-Q479 VanDerWaalsContact O-CG 3.31Å; V475-Q479 WeakPolarHBondContact O-CG 3.35Å; V475-Q479 PolarHBondContact O-N 3.24Å
480	T	96.6	Very high	91.3	Very high	34 Å²	34	32.2 Å²	32.2	21%	0.209	19%	0.193	C	C	.	.	H	α-helix	trans	-80.1	-28.7	-178.1	-59.7	0	0	0	0	112.5	S451 V454 E455 K458 G476 M477 I478	S451-T480 WeakPolarHBondContact CB-OG1 3.29Å; V454-T480 HydrophobicContact CB-CG2 4.26Å; V454-T480 HydrophobicContact CG1-CG2 4.15Å; E455-T480 HydrophobicContact CB-CG2 3.75Å; E455-T480 HydrophobicContact CG-CG2 4.35Å; K458-T480 VanDerWaalsContact CD-O 3.28Å; K458-T480 WeakPolarHBondContact CD-O 3.35Å; K458-T480 PolarHBondContact NZ-O 3.08Å; G476-T480 VanDerWaalsContact O-CB 3.3Å; G476-T480 WeakPolarHBondContact O-CB 3.47Å; G476-T480 PolarHBondContact O-N 3.17Å; G476-T480 PolarHBondContact O-OG1 3.37Å; M477-T480 PolarHBondContact O-N 2.95Å; I478-T480 VanDerWaalsContact C-N 3.28Å; I478-T480 PolarHBondContact O-N 3.38Å
481	A	97	Very high	90	Very high	8 Å²	8	37.2 Å²	37.2	7%	0.066	22%	0.216	C	C	.	.	S	Bend	trans	-63.8	175.1	178.5	0	0	0	0	0	112.6	V454 K458 A467 M477 I478	V454-A481 HydrophobicContact CG1-CB 3.97Å; K458-A481 PolarHBondContact NZ-O 3.05Å; A467-A481 HydrophobicContact CB-CB 3.6Å; M477-A481 PolarHBondContact O-N 2.86Å; I478-A481 PolarHBondContact O-N 3.38Å
482	H	96.9	Very high	89.2	Confident	58 Å²	58	38.2 Å²	38.2	27%	0.269	23%	0.226	S	C	.	.	S	Bend	trans	-79.2	-35	168.4	-66.1	98.6	0	0	0	111.2	K458 V463 I464 T465	K458-H482 WeakPolarHBondContact CE-NE2 3.35Å; K458-H482 VanDerWaalsContact CG-CE1 3.42Å; K458-H482 WeakPolarHBondContact CG-CE1 3.43Å; V463-H482 PolarHBondContact O-CE1 3.21Å; V463-H482 PolarHBondContact O-ND1 3.37Å; I464-H482 HydrophobicContact CG2-CB 3.93Å; T465-H482 PolarHBondContact N-ND1 3.26Å; T465-H482 WeakPolarHBondContact O-CB 3.34Å; T465-H482 PolarHBondContact O-N 3.33Å; T465-H482 PolarHBondContact OG1-N 3.42Å; T465-H482 PolarHBondContact OG1-ND1 3.45Å
483	V	97.9	Very high	89	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.1	175.7	-178.7	0	0	0	0	109.2	E83 L84 I464 T465 L466 A467 V485 Y501	E83-V483 HydrophobicContact CB-CG2 3.79Å; L84-V483 HydrophobicContact CD2-CG1 3.8Å; I464-V483 HydrophobicContact CG2-CG2 4.43Å; T465-V483 PolarHBondContact O-N 2.78Å; T465-V483 VanDerWaalsContact O-N 3.09Å; L466-V483 VanDerWaalsContact CA-O 3.28Å; L466-V483 WeakPolarHBondContact CA-O 3.31Å; L466-V483 HydrophobicContact CD1-CB 4.44Å; L466-V483 HydrophobicContact CD1-CG1 4.19Å; L466-V483 HydrophobicContact CG-CB 4.39Å; L466-V483 HydrophobicContact CG-CG1 4.43Å; A467-V483 PolarHBondContact N-O 2.98Å; V483-V485 HydrophobicContact CG1-CG2 4.39Å; V483-Y501 HydrophobicContact CG1-CD2 3.76Å; V483-Y501 HydrophobicContact CG1-CE2 3.8Å
484	G	97.6	Very high	89	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.1	173.6	0	0	0	0	0	112.1	D500 Y501	G484-D500 PolarHBondContact N-OD2 3.48Å; G484-D500 WeakPolarHBondContact O-CB 3.31Å; G484-D500 PolarHBondContact O-N 3.37Å; G484-Y501 PolarHBondContact O-N 3.48Å; G484-Y501 VanDerWaalsContact O-N 3.09Å
485	V	98	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.4	173.3	-177.4	0	0	0	0	110	L466 A467 I468 G469 V483 Y501 I503 L509 L512	L466-V485 HydrophobicContact CD1-CG2 3.83Å; L466-V485 HydrophobicContact CD2-CB 4.43Å; L466-V485 HydrophobicContact CD2-CG2 3.98Å; L466-V485 HydrophobicContact CG-CG2 4Å; A467-V485 PolarHBondContact O-N 2.89Å; I468-V485 VanDerWaalsContact CA-O 3.27Å; I468-V485 WeakPolarHBondContact CA-O 3.32Å; I468-V485 HydrophobicContact CB-CB 4.19Å; I468-V485 HydrophobicContact CD1-CB 4.31Å; I468-V485 HydrophobicContact CD1-CG1 3.86Å; I468-V485 HydrophobicContact CG1-CB 4.09Å; I468-V485 HydrophobicContact CG1-CG1 4.02Å; G469-V485 PolarHBondContact N-O 3.09Å; V483-V485 HydrophobicContact CG1-CG2 4.39Å; V485-Y501 CarbonylContact C-O 3.57Å; V485-Y501 VanDerWaalsContact CA-O 3.23Å; V485-Y501 WeakPolarHBondContact CA-O 3.21Å; V485-I503 HydrophobicContact CG1-CD1 3.74Å; V485-I503 HydrophobicContact CG1-CG1 3.76Å; V485-L509 HydrophobicContact CG2-CD1 4.39Å; V485-L512 HydrophobicContact CG2-CD2 4.37Å
486	G	96.4	Very high	88.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.5	175.4	0	0	0	0	0	111.1	G469 S499 Y501 S502 I503	G469-G486 CarbonylContact O-C 3.59Å; G469-G486 WeakPolarHBondContact O-CA 3.41Å; G486-S499 PolarHBondContact N-OG 3.4Å; G486-Y501 PolarHBondContact N-O 3Å; G486-S502 CarbonylContact O-C 3.6Å; G486-S502 VanDerWaalsContact O-CA 3.23Å; G486-S502 WeakPolarHBondContact O-CA 3.47Å; G486-I503 PolarHBondContact O-N 3.32Å
487	I	94	Very high	88.5	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.6	168.7	-72.8	172.6	0	0	0	109.6	T97 I468 G469 D470 G489 I503 F506	T97-I487 HydrophobicContact CG2-CD1 3.66Å; I468-I487 HydrophobicContact CD1-CD1 3.96Å; I468-I487 HydrophobicContact CD1-CG1 4.1Å; I468-I487 HydrophobicContact CG1-CD1 4.1Å; I468-I487 HydrophobicContact CG1-CG1 4.16Å; G469-I487 PolarHBondContact O-N 3.15Å; D470-I487 HydrophobicContact CB-CB 3.88Å; D470-I487 HydrophobicContact CB-CG2 4.12Å; I487-G489 VanDerWaalsContact C-N 3.3Å; I487-G489 PolarHBondContact O-N 3.14Å; I487-I503 CarbonylContact C-O 3.52Å; I487-I503 WeakPolarHBondContact CA-O 3.45Å; I487-I503 HydrophobicContact CG1-CG1 4.24Å; I487-F506 HydrophobicContact CD1-CB 4.44Å
488	S	85.1	Confident	88.4	Confident	23 Å²	23	45.2 Å²	45.2	16%	0.161	25%	0.249	C	C	.	.			trans	-78.3	80.9	174.5	-61.2	0	0	0	0	109.3	I503	S488-I503 PolarHBondContact N-O 2.88Å
489	G	69.3	Low	88.4	Confident	27 Å²	27	45.3 Å²	45.3	28%	0.278	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-112.1	-170.9	-176.2	0	0	0	0	0	114.7	I487	I487-G489 VanDerWaalsContact C-N 3.3Å; I487-G489 PolarHBondContact O-N 3.14Å
490	N	62	Low	88.5	Confident	173 Å²	173	40.7 Å²	40.7	93%	0.925	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-18.9	-176.6	-66.8	-18.5	0	0	0	113.9	G492	N490-G492 PolarHBondContact O-N 3.05Å
491	E	64.4	Low	88.6	Confident	109 Å²	109	39.2 Å²	39.2	51%	0.509	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10	179.9	-67.8	-165	177.8	0	0	113.3
492	G	70.6	Confident	88.5	Confident	27 Å²	27	39 Å²	39	28%	0.278	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	134.6	169.6	173.7	0	0	0	0	0	112.9	N490	N490-G492 PolarHBondContact O-N 3.05Å
493	L	84.6	Confident	88.5	Confident	101 Å²	101	36.3 Å²	36.3	53%	0.529	21%	0.205	S	C	.	.	S	Bend	trans	-95.6	10.5	-178.7	-64.9	174.1	0	0	0	113.3	A496 N497	L493-A496 PolarHBondContact O-N 3.09Å; L493-N497 VanDerWaalsContact O-CB 3.25Å; L493-N497 WeakPolarHBondContact O-CB 3.39Å; L493-N497 PolarHBondContact O-N 3.22Å; L493-N497 PolarHBondContact O-ND2 3.24Å
494	Q	88.4	Confident	88.3	Confident	119 Å²	119	36.4 Å²	36.4	56%	0.556	21%	0.206	S	C	*	.	H	α-helix	trans	-68.3	-44.8	-171	-61.7	-175	12.1	0	0	112.4	N497 S498	Q494-N497 PolarHBondContact O-N 3.07Å; Q494-S498 WeakPolarHBondContact O-CB 3.47Å; Q494-S498 PolarHBondContact O-N 3.42Å; Q494-S498 PolarHBondContact O-OG 3.03Å
495	A	90.3	Very high	88.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-48.2	173.6	0	0	0	0	0	111	D470 I478 N497 S498 S499	D470-A495 VanDerWaalsContact C-CB 3.41Å; D470-A495 WeakPolarHBondContact O-CB 3.28Å; I478-A495 HydrophobicContact CD1-CB 3.85Å; A495-N497 VanDerWaalsContact C-N 3.29Å; A495-N497 PolarHBondContact O-N 3.35Å; A495-S498 CarbonylContact O-C 3.6Å; A495-S498 PolarHBondContact O-N 3.4Å; A495-S499 WeakPolarHBondContact O-CB 3.22Å; A495-S499 PolarHBondContact O-N 3.5Å; A495-S499 PolarHBondContact O-OG 3.4Å
496	A	90.9	Very high	88	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-35.7	178.4	0	0	0	0	0	113.4	R76 L493 S499	R76-A496 WeakPolarHBondContact CD-O 3.26Å; R76-A496 PolarHBondContact NE-O 3.32Å; L493-A496 PolarHBondContact O-N 3.09Å; A496-S499 WeakPolarHBondContact CA-OG 3.46Å; A496-S499 PolarHBondContact O-OG 3.28Å
497	N	92	Very high	88	Confident	91 Å²	91	39.4 Å²	39.4	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-74.7	-27.4	176.7	-74.7	-24.9	0	0	0	113.2	R76 L493 Q494 A495	R76-N497 PolarHBondContact NH2-OD1 3.47Å; L493-N497 VanDerWaalsContact O-CB 3.25Å; L493-N497 WeakPolarHBondContact O-CB 3.39Å; L493-N497 PolarHBondContact O-N 3.22Å; L493-N497 PolarHBondContact O-ND2 3.24Å; Q494-N497 PolarHBondContact O-N 3.07Å; A495-N497 VanDerWaalsContact C-N 3.29Å; A495-N497 PolarHBondContact O-N 3.35Å
498	S	92.9	Very high	88.2	Confident	47 Å²	47	40.2 Å²	40.2	33%	0.329	22%	0.223	S	C	.	.	H	α-helix	trans	-97.1	0.3	-178.1	-51.3	0	0	0	0	113.4	Q494 A495	Q494-S498 WeakPolarHBondContact O-CB 3.47Å; Q494-S498 PolarHBondContact O-N 3.42Å; Q494-S498 PolarHBondContact O-OG 3.03Å; A495-S498 CarbonylContact O-C 3.6Å; A495-S498 PolarHBondContact O-N 3.4Å
499	S	96	Very high	88.7	Confident	5 Å²	5	39.1 Å²	39.1	4%	0.035	22%	0.215	C	C	.	.	S	Bend	trans	-94.7	157.2	-179.4	62.5	0	0	0	0	113.2	R76 G486 A495 A496 Y501	R76-S499 VanDerWaalsContact CD-O 3.3Å; R76-S499 WeakPolarHBondContact CD-O 3.38Å; G486-S499 PolarHBondContact N-OG 3.4Å; A495-S499 WeakPolarHBondContact O-CB 3.22Å; A495-S499 PolarHBondContact O-N 3.5Å; A495-S499 PolarHBondContact O-OG 3.4Å; A496-S499 WeakPolarHBondContact CA-OG 3.46Å; A496-S499 PolarHBondContact O-OG 3.28Å; S499-Y501 PolarHBondContact OG-O 3.47Å
500	D	97.7	Very high	90	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.171	21%	0.212	C	C	.	.	S	Bend	trans	-73.6	-35.8	172.8	-61	-56.6	0	0	0	112.3	R76 T77 L80 G484	R76-D500 WeakPolarHBondContact CA-O 3.47Å; R76-D500 WeakPolarHBondContact CB-O 3.45Å; R76-D500 PolarHBondContact N-O 3.01Å; T77-D500 VanDerWaalsContact CB-OD1 3.24Å; T77-D500 WeakPolarHBondContact CB-OD1 3.08Å; T77-D500 PolarHBondContact N-O 3.29Å; T77-D500 VanDerWaalsContact N-O 3.1Å; T77-D500 PolarHBondContact OG1-OD1 3.45Å; L80-D500 HydrophobicContact CD1-CB 4.19Å; L80-D500 VanDerWaalsContact CD1-CG 3.48Å; G484-D500 PolarHBondContact N-OD2 3.48Å; G484-D500 WeakPolarHBondContact O-CB 3.31Å; G484-D500 PolarHBondContact O-N 3.37Å
501	Y	97.9	Very high	91.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.3	175.7	-56.9	-86.3	0	0	0	109.6	I58 M74 A75 T77 L80 N81 L84 V483 G484 V485 G486 S499 L512	I58-Y501 HydrophobicContact CD1-CD1 4.39Å; I58-Y501 HydrophobicContact CD1-CE1 3.81Å; M74-Y501 CarbonylContact O-C 3.53Å; M74-Y501 WeakPolarHBondContact O-CA 3.05Å; A75-Y501 HydrophobicContact CB-CD1 3.71Å; A75-Y501 HydrophobicContact CB-CE1 3.64Å; T77-Y501 PolarHBondContact O-OH 2.84Å; L80-Y501 VanDerWaalsContact C-OH 3.28Å; L80-Y501 PolarHBondContact O-OH 2.97Å; N81-Y501 VanDerWaalsContact CA-OH 3.25Å; N81-Y501 WeakPolarHBondContact CA-OH 3.46Å; N81-Y501 PolarHBondContact N-OH 2.88Å; N81-Y501 PolarHBondContact OD1-OH 3.46Å; L84-Y501 HydrophobicContact CD1-CD1 4.41Å; L84-Y501 HydrophobicContact CD1-CD2 4.38Å; L84-Y501 HydrophobicContact CD1-CE1 3.84Å; L84-Y501 HydrophobicContact CD1-CE2 3.79Å; L84-Y501 HydrophobicContact CD2-CD2 4.12Å; L84-Y501 HydrophobicContact CD2-CE2 3.9Å; L84-Y501 HydrophobicContact CG-CE2 3.88Å; V483-Y501 HydrophobicContact CG1-CD2 3.76Å; V483-Y501 HydrophobicContact CG1-CE2 3.8Å; G484-Y501 PolarHBondContact O-N 3.48Å; G484-Y501 VanDerWaalsContact O-N 3.09Å; V485-Y501 CarbonylContact C-O 3.57Å; V485-Y501 VanDerWaalsContact CA-O 3.23Å; V485-Y501 WeakPolarHBondContact CA-O 3.21Å; G486-Y501 PolarHBondContact N-O 3Å; S499-Y501 PolarHBondContact OG-O 3.47Å; Y501-L512 HydrophobicContact CD1-CD1 4.34Å; Y501-L512 HydrophobicContact CG-CD2 4.35Å
502	S	96.4	Very high	93.2	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.035	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.5	169.8	64	0	0	0	0	111	A73 M74 G486	A73-S502 CarbonylContact C-O 3.56Å; A73-S502 VanDerWaalsContact CA-O 3.31Å; A73-S502 WeakPolarHBondContact CA-O 3.48Å; M74-S502 WeakPolarHBondContact CB-OG 3.33Å; M74-S502 PolarHBondContact N-O 2.86Å; M74-S502 PolarHBondContact O-N 3.48Å; G486-S502 CarbonylContact O-C 3.6Å; G486-S502 VanDerWaalsContact O-CA 3.23Å; G486-S502 WeakPolarHBondContact O-CA 3.47Å
503	I	96.3	Very high	94.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	153.6	175.4	61.1	179.5	0	0	0	109.4	A73 I468 V485 G486 I487 S488 Q505 L509 L512	A73-I503 HydrophobicContact CB-CG2 4.15Å; I468-I503 HydrophobicContact CD1-CD1 4.02Å; V485-I503 HydrophobicContact CG1-CD1 3.74Å; V485-I503 HydrophobicContact CG1-CG1 3.76Å; G486-I503 PolarHBondContact O-N 3.32Å; I487-I503 CarbonylContact C-O 3.52Å; I487-I503 WeakPolarHBondContact CA-O 3.45Å; I487-I503 HydrophobicContact CG1-CG1 4.24Å; S488-I503 PolarHBondContact N-O 2.88Å; I503-Q505 WeakPolarHBondContact CD1-O 3.25Å; I503-L509 HydrophobicContact CD1-CB 4.38Å; I503-L512 HydrophobicContact CG2-CD2 4.27Å
504	A	93.6	Very high	95	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.017	11%	0.111	C	C	.	.	S	Bend	trans	-86.1	-21.6	-178	0	0	0	0	0	114.3	Y66 T71 Y508	Y66-A504 HydrophobicContact CD1-CB 4.08Å; Y66-A504 HydrophobicContact CG-CB 4.02Å; T71-A504 HydrophobicContact CG2-CB 4.1Å; A504-Y508 HydrophobicContact CB-CE2 4.46Å
505	Q	93.9	Very high	95.4	Very high	22 Å²	22	16 Å²	16	10%	0.103	8%	0.084	C	C	.	.	S	Bend	trans	-144.2	146.9	-175.8	-67.2	-70.1	-63.1	0	0	110.6	Y66 I503 K507 Y508	Y66-Q505 HydrophobicContact CD2-CG 3.77Å; Y66-Q505 HydrophobicContact CE2-CG 3.96Å; Y66-Q505 HydrophobicContact CG-CG 4.1Å; I503-Q505 WeakPolarHBondContact CD1-O 3.25Å; Q505-K507 VanDerWaalsContact C-N 3.27Å; Q505-K507 HydrophobicContact CB-CG 4.01Å; Q505-K507 PolarHBondContact O-N 2.93Å; Q505-Y508 HydrophobicContact CB-CD2 4.15Å; Q505-Y508 HydrophobicContact CB-CE2 4.13Å; Q505-Y508 HydrophobicContact CG-CE2 4.42Å; Q505-Y508 PolarHBondContact O-N 3.29Å
506	F	96	Very high	95.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.9	180	-175.3	-91.4	0	0	0	113.1	T97 L98 V336 T339 I340 I468 I487 Y508 L509	T97-F506 HydrophobicContact CG2-CD2 4.05Å; L98-F506 HydrophobicContact CD2-CD1 4.28Å; L98-F506 HydrophobicContact CD2-CD2 3.82Å; L98-F506 HydrophobicContact CD2-CE1 4.08Å; L98-F506 HydrophobicContact CD2-CE2 3.59Å; L98-F506 HydrophobicContact CD2-CG 4.16Å; L98-F506 HydrophobicContact CD2-CZ 3.73Å; V336-F506 HydrophobicContact CB-CD1 4.44Å; V336-F506 HydrophobicContact CG1-CD1 4.32Å; V336-F506 HydrophobicContact CG1-CE1 4.47Å; V336-F506 HydrophobicContact CG2-CB 4.06Å; V336-F506 HydrophobicContact CG2-CD1 3.93Å; V336-F506 HydrophobicContact CG2-CG 4.25Å; T339-F506 HydrophobicContact CG2-CD1 3.94Å; T339-F506 HydrophobicContact CG2-CE1 3.71Å; I340-F506 HydrophobicContact CG1-CE1 3.87Å; I340-F506 HydrophobicContact CG1-CZ 4.15Å; I468-F506 HydrophobicContact CD1-CD2 3.93Å; I468-F506 HydrophobicContact CD1-CE2 4.3Å; I468-F506 HydrophobicContact CG2-CE2 4.16Å; I487-F506 HydrophobicContact CD1-CB 4.44Å; F506-Y508 PolarHBondContact O-N 3.43Å; F506-L509 HydrophobicContact CE2-CD2 4.14Å; F506-L509 HydrophobicContact CZ-CD2 4.22Å; F506-L509 WeakPolarHBondContact O-CB 3.41Å; F506-L509 PolarHBondContact O-N 3.4Å
507	K	95.8	Very high	95.9	Very high	41 Å²	41	16.5 Å²	16.5	18%	0.178	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.4	179.3	63.6	178.3	173.7	-177.6	0	114.4	D334 K335 T339 Q505 L509 K510	D334-K507 HydrophobicContact CB-CD 4.36Å; D334-K507 WeakPolarHBondContact O-CB 3.19Å; D334-K507 IonicContact OD2-NZ 3.74Å; D334-K507 PolarHBondContact OD2-NZ 2.92Å; K335-K507 HydrophobicContact CB-CB 4.16Å; K335-K507 HydrophobicContact CB-CD 4.44Å; K335-K507 HydrophobicContact CD-CD 4.48Å; T339-K507 WeakPolarHBondContact OG1-CA 3.34Å; Q505-K507 VanDerWaalsContact C-N 3.27Å; Q505-K507 HydrophobicContact CB-CG 4.01Å; Q505-K507 PolarHBondContact O-N 2.93Å; K507-L509 PolarHBondContact O-N 3.47Å; K507-K510 WeakPolarHBondContact O-CB 3.37Å; K507-K510 PolarHBondContact O-N 3.43Å
508	Y	97.4	Very high	96	Very high	18 Å²	18	12.2 Å²	12.2	7%	0.071	6%	0.064	C	C	.	.	H	α-helix	trans	-71.4	-15.3	179.4	-61.2	-28.5	0	0	0	113	D63 M64 L65 A504 Q505 F506 K510 N511 L512	D63-Y508 VanDerWaalsContact O-CD1 3.31Å; D63-Y508 WeakPolarHBondContact O-CD1 3.47Å; D63-Y508 WeakPolarHBondContact O-CE1 3.19Å; M64-Y508 HydrophobicContact CB-CD1 4.45Å; M64-Y508 HydrophobicContact CB-CD2 4.26Å; M64-Y508 HydrophobicContact CB-CG 4.11Å; M64-Y508 HydrophobicContact CG-CD1 4.39Å; M64-Y508 HydrophobicContact CG-CG 4.22Å; L65-Y508 PolarHBondContact O-OH 2.84Å; A504-Y508 HydrophobicContact CB-CE2 4.46Å; Q505-Y508 HydrophobicContact CB-CD2 4.15Å; Q505-Y508 HydrophobicContact CB-CE2 4.13Å; Q505-Y508 HydrophobicContact CG-CE2 4.42Å; Q505-Y508 PolarHBondContact O-N 3.29Å; F506-Y508 PolarHBondContact O-N 3.43Å; Y508-K510 PolarHBondContact O-N 2.93Å; Y508-N511 PolarHBondContact O-N 3.35Å; Y508-L512 WeakPolarHBondContact O-CB 3.25Å; Y508-L512 PolarHBondContact O-N 3.43Å
509	L	97.1	Very high	96.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.5	-32.1	172.2	-164.2	61.6	0	0	0	111.9	I90 L343 L466 I468 V485 I503 F506 K507 L512 L513	I90-L509 HydrophobicContact CD1-CD2 3.89Å; I90-L509 HydrophobicContact CG2-CD2 4.46Å; L343-L509 HydrophobicContact CD1-CD2 4.04Å; L343-L509 HydrophobicContact CD1-CG 4.42Å; L466-L509 HydrophobicContact CD1-CD1 4.15Å; L466-L509 HydrophobicContact CD2-CD1 4.3Å; I468-L509 HydrophobicContact CD1-CD2 4.24Å; V485-L509 HydrophobicContact CG2-CD1 4.39Å; I503-L509 HydrophobicContact CD1-CB 4.38Å; F506-L509 HydrophobicContact CE2-CD2 4.14Å; F506-L509 HydrophobicContact CZ-CD2 4.22Å; F506-L509 WeakPolarHBondContact O-CB 3.41Å; F506-L509 PolarHBondContact O-N 3.4Å; K507-L509 PolarHBondContact O-N 3.47Å; L509-L512 HydrophobicContact CD1-CD2 4.47Å; L509-L513 HydrophobicContact CD1-CD1 3.98Å; L509-L513 HydrophobicContact CD1-CG 4.1Å; L509-L513 HydrophobicContact CG-CD1 3.86Å; L509-L513 HydrophobicContact CG-CG 4.31Å; L509-L513 WeakPolarHBondContact O-CB 3.41Å; L509-L513 WeakPolarHBondContact O-CG 3.42Å; L509-L513 PolarHBondContact O-N 2.98Å
510	K	95.9	Very high	96.1	Very high	50 Å²	50	11.5 Å²	11.5	22%	0.217	5%	0.053	C	C	.	.	H	α-helix	trans	-58.6	-49.3	172.5	-177.7	178.7	172.5	163.1	0	111.8	T339 T342 K507 Y508 L514 L590	T339-K510 HydrophobicContact CG2-CB 4.2Å; T342-K510 HydrophobicContact CG2-CD 3.87Å; T342-K510 HydrophobicContact CG2-CG 4.06Å; K507-K510 WeakPolarHBondContact O-CB 3.37Å; K507-K510 PolarHBondContact O-N 3.43Å; Y508-K510 PolarHBondContact O-N 2.93Å; K510-L514 HydrophobicContact CG-CD1 3.88Å; K510-L514 VanDerWaalsContact O-CB 3.26Å; K510-L514 WeakPolarHBondContact O-CB 3.28Å; K510-L514 WeakPolarHBondContact O-CG 3.43Å; K510-L514 PolarHBondContact O-N 3.4Å; K510-L590 HydrophobicContact CD-CD2 4.07Å; K510-L590 VanDerWaalsContact CE-O 3.31Å; K510-L590 WeakPolarHBondContact CE-O 3.42Å; K510-L590 HydrophobicContact CG-CD2 3.75Å; K510-L590 PolarHBondContact NZ-O 3.1Å
511	N	96.7	Very high	96	Very high	19 Å²	19	10.6 Å²	10.6	10%	0.102	5%	0.047	C	C	.	.	H	α-helix	trans	-70	-44.2	-179.4	-69	-33.6	0	0	0	110.9	D63 M64 Y508 L513 V515 H516 L590	D63-N511 PolarHBondContact O-ND2 3Å; M64-N511 HydrophobicContact CG-CB 3.79Å; M64-N511 HydrophobicContact SD-CB 3.79Å; Y508-N511 PolarHBondContact O-N 3.35Å; N511-L513 PolarHBondContact O-N 3.09Å; N511-V515 VanDerWaalsContact O-CB 3.29Å; N511-V515 WeakPolarHBondContact O-CB 3.44Å; N511-V515 PolarHBondContact O-N 3.17Å; N511-H516 PolarHBondContact O-N 3.48Å; N511-L590 VanDerWaalsContact OD1-CD2 3.26Å; N511-L590 WeakPolarHBondContact OD1-CD2 3.47Å
512	L	97.8	Very high	95.7	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.058	C	C	.	.	I	π-helix	trans	-59.8	-44.5	-179.3	-175	62.6	0	0	0	112.3	I58 M64 L84 V485 Y501 I503 Y508 L509 H516 G517	I58-L512 HydrophobicContact CD1-CD1 4.28Å; I58-L512 HydrophobicContact CG2-CD1 3.97Å; M64-L512 HydrophobicContact SD-CB 4.07Å; L84-L512 HydrophobicContact CD1-CD1 3.84Å; L84-L512 HydrophobicContact CD1-CG 4.1Å; L84-L512 HydrophobicContact CD2-CD2 4.33Å; L84-L512 HydrophobicContact CD2-CG 4.23Å; V485-L512 HydrophobicContact CG2-CD2 4.37Å; Y501-L512 HydrophobicContact CD1-CD1 4.34Å; Y501-L512 HydrophobicContact CG-CD2 4.35Å; I503-L512 HydrophobicContact CG2-CD2 4.27Å; Y508-L512 WeakPolarHBondContact O-CB 3.25Å; Y508-L512 PolarHBondContact O-N 3.43Å; L509-L512 HydrophobicContact CD1-CD2 4.47Å; L512-H516 WeakPolarHBondContact O-CB 3.26Å; L512-G517 PolarHBondContact O-N 3.16Å
513	L	97	Very high	95.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-83.5	-57.2	-178.2	-62.6	178.4	0	0	0	112.5	L84 V87 I90 L343 I348 L466 L509 N511 V515 G517 A518 Y596	L84-L513 HydrophobicContact CB-CD2 4.2Å; L84-L513 HydrophobicContact CD2-CD2 3.7Å; L84-L513 WeakPolarHBondContact O-CD2 3.37Å; V87-L513 HydrophobicContact CB-CD2 4.4Å; V87-L513 HydrophobicContact CG2-CD2 3.88Å; I90-L513 HydrophobicContact CD1-CD1 3.97Å; L343-L513 HydrophobicContact CD2-CD1 3.95Å; I348-L513 HydrophobicContact CD1-CD1 4.24Å; L466-L513 HydrophobicContact CD1-CD1 4.37Å; L466-L513 HydrophobicContact CD1-CD2 3.84Å; L509-L513 HydrophobicContact CD1-CD1 3.98Å; L509-L513 HydrophobicContact CD1-CG 4.1Å; L509-L513 HydrophobicContact CG-CD1 3.86Å; L509-L513 HydrophobicContact CG-CG 4.31Å; L509-L513 WeakPolarHBondContact O-CB 3.41Å; L509-L513 WeakPolarHBondContact O-CG 3.42Å; L509-L513 PolarHBondContact O-N 2.98Å; N511-L513 PolarHBondContact O-N 3.09Å; L513-V515 VanDerWaalsContact C-N 3.32Å; L513-V515 PolarHBondContact O-N 3.27Å; L513-G517 WeakPolarHBondContact O-CA 3.25Å; L513-G517 PolarHBondContact O-N 3.2Å; L513-A518 PolarHBondContact O-N 3.28Å; L513-A518 VanDerWaalsContact O-N 3.12Å; L513-Y596 HydrophobicContact CB-CE2 4.45Å; L513-Y596 VanDerWaalsContact O-CE2 3.32Å; L513-Y596 WeakPolarHBondContact O-CE2 3.45Å
514	L	95.6	Very high	95.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	6%	0.061	C	C	.	.	I	π-helix	trans	-72.6	-27.1	-168.9	-55.9	-177.2	0	0	0	112.8	T342 A346 K510 A518 M589 P593 Y596	T342-L514 HydrophobicContact CG2-CD1 3.55Å; A346-L514 HydrophobicContact CB-CD2 3.82Å; K510-L514 HydrophobicContact CG-CD1 3.88Å; K510-L514 VanDerWaalsContact O-CB 3.26Å; K510-L514 WeakPolarHBondContact O-CB 3.28Å; K510-L514 WeakPolarHBondContact O-CG 3.43Å; K510-L514 PolarHBondContact O-N 3.4Å; L514-A518 WeakPolarHBondContact O-CB 3.23Å; L514-M589 WeakPolarHBondContact O-CE 3.21Å; L514-P593 HydrophobicContact CD1-CB 4.09Å; L514-P593 HydrophobicContact CD1-CG 4.43Å; L514-Y596 HydrophobicContact CD2-CD1 4.22Å; L514-Y596 HydrophobicContact CD2-CD2 3.84Å; L514-Y596 HydrophobicContact CD2-CG 3.68Å
515	V	95.5	Very high	95.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-100.4	-69.3	179	-175.6	0	0	0	0	109.7	N511 L513 W519 K586 M589 L590	N511-V515 VanDerWaalsContact O-CB 3.29Å; N511-V515 WeakPolarHBondContact O-CB 3.44Å; N511-V515 PolarHBondContact O-N 3.17Å; L513-V515 VanDerWaalsContact C-N 3.32Å; L513-V515 PolarHBondContact O-N 3.27Å; V515-W519 HydrophobicContact CG1-CD2 3.94Å; V515-W519 HydrophobicContact CG1-CE3 3.6Å; V515-W519 HydrophobicContact CG1-CH2 3.51Å; V515-W519 HydrophobicContact CG1-CZ2 3.84Å; V515-W519 HydrophobicContact CG1-CZ3 3.38Å; V515-W519 VanDerWaalsContact O-CB 3.3Å; V515-W519 WeakPolarHBondContact O-CB 3.48Å; V515-W519 VanDerWaalsContact O-CG 3.22Å; V515-W519 PolarHBondContact O-N 3.22Å; V515-K586 HydrophobicContact CG1-CD 4.48Å; V515-K586 HydrophobicContact CG1-CG 4.01Å; V515-K586 HydrophobicContact CG2-CG 3.94Å; V515-M589 HydrophobicContact CG2-CB 4.41Å; V515-L590 HydrophobicContact CG2-CD1 4.42Å; V515-L590 HydrophobicContact CG2-CD2 3.71Å; V515-L590 HydrophobicContact CG2-CG 3.88Å
516	H	96.8	Very high	95.6	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.046	7%	0.066	C	C	.	.	I	π-helix	trans	-65.9	-49.1	-173.7	-69.7	-76.9	0	0	0	112.1	F57 I58 D61 M64 N511 L512 A518 W519 N520	F57-H516 PolarHBondContact O-CE1 3.41Å; I58-H516 HydrophobicContact CD1-CB 4.39Å; I58-H516 HydrophobicContact CG1-CB 4.01Å; D61-H516 IonicContact OD2-CD2 2.72Å; D61-H516 IonicContact OD2-CE1 2.73Å; D61-H516 IonicContact OD2-NE2 3.66Å; D61-H516 PolarHBondContact OD2-NE2 3.44Å; M64-H516 VanDerWaalsContact CE-CD2 3.47Å; M64-H516 WeakPolarHBondContact CE-CD2 3.47Å; M64-H516 WeakPolarHBondContact CE-NE2 3.45Å; N511-H516 PolarHBondContact O-N 3.48Å; L512-H516 WeakPolarHBondContact O-CB 3.26Å; H516-A518 PolarHBondContact O-N 2.8Å; H516-W519 PolarHBondContact O-N 2.85Å; H516-N520 WeakPolarHBondContact O-CB 3.35Å; H516-N520 PolarHBondContact O-N 3.26Å; H516-N520 PolarHBondContact O-ND2 2.96Å
517	G	95.6	Very high	95.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-58.4	-51.2	178.9	0	0	0	0	0	113	L84 G85 L512 L513 W519 N520 Y521	L84-G517 VanDerWaalsContact CB-CA 3.48Å; G85-G517 VanDerWaalsContact CA-O 3.23Å; G85-G517 WeakPolarHBondContact CA-O 3.38Å; G85-G517 PolarHBondContact N-O 2.93Å; L512-G517 PolarHBondContact O-N 3.16Å; L513-G517 WeakPolarHBondContact O-CA 3.25Å; L513-G517 PolarHBondContact O-N 3.2Å; G517-W519 PolarHBondContact O-N 3.09Å; G517-N520 PolarHBondContact O-N 3.35Å; G517-Y521 WeakPolarHBondContact O-CB 3.23Å; G517-Y521 PolarHBondContact O-N 2.98Å
518	A	93.9	Very high	95.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-61.9	-42.1	179.4	0	0	0	0	0	113.1	L513 L514 H516 N522 M589 Y596	L513-A518 PolarHBondContact O-N 3.28Å; L513-A518 VanDerWaalsContact O-N 3.12Å; L514-A518 WeakPolarHBondContact O-CB 3.23Å; H516-A518 PolarHBondContact O-N 2.8Å; A518-N522 PolarHBondContact O-N 3.22Å; A518-M589 HydrophobicContact CB-CE 3.48Å; A518-M589 VanDerWaalsContact CB-CE 3.48Å; A518-Y596 HydrophobicContact CB-CD2 4.07Å; A518-Y596 HydrophobicContact CB-CE2 4.45Å
519	W	95	Very high	95.5	Very high	36 Å²	36	13.3 Å²	13.3	14%	0.136	6%	0.062	C	C	.	.	H	α-helix	trans	-68.3	-45.7	177.3	-71.8	-12.2	0	0	0	112	V515 H516 G517 Y521 N522 R523 C584 K586	V515-W519 HydrophobicContact CG1-CD2 3.94Å; V515-W519 HydrophobicContact CG1-CE3 3.6Å; V515-W519 HydrophobicContact CG1-CH2 3.51Å; V515-W519 HydrophobicContact CG1-CZ2 3.84Å; V515-W519 HydrophobicContact CG1-CZ3 3.38Å; V515-W519 VanDerWaalsContact O-CB 3.3Å; V515-W519 WeakPolarHBondContact O-CB 3.48Å; V515-W519 VanDerWaalsContact O-CG 3.22Å; V515-W519 PolarHBondContact O-N 3.22Å; H516-W519 PolarHBondContact O-N 2.85Å; G517-W519 PolarHBondContact O-N 3.09Å; W519-Y521 VanDerWaalsContact C-N 3.34Å; W519-Y521 PolarHBondContact O-N 3.27Å; W519-N522 PolarHBondContact O-N 2.6Å; W519-R523 WeakPolarHBondContact O-CB 3.41Å; W519-R523 WeakPolarHBondContact O-CD 3.47Å; W519-R523 WeakPolarHBondContact O-CG 3.47Å; W519-R523 PolarHBondContact O-N 3.36Å; W519-C584 PolarHBondContact NE1-O 2.94Å; W519-K586 HydrophobicContact CH2-CB 4.02Å; W519-K586 HydrophobicContact CZ2-CB 4.27Å
520	N	95.8	Very high	95.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.1	-39.7	-178.9	-68.3	-16.4	0	0	0	111.5	Q54 N81 H516 G517 R523 V524	Q54-N520 WeakPolarHBondContact CG-OD1 3.39Å; N81-N520 HydrophobicContact CB-CB 4.18Å; N81-N520 WeakPolarHBondContact O-CB 3.26Å; H516-N520 WeakPolarHBondContact O-CB 3.35Å; H516-N520 PolarHBondContact O-N 3.26Å; H516-N520 PolarHBondContact O-ND2 2.96Å; G517-N520 PolarHBondContact O-N 3.35Å; N520-R523 PolarHBondContact O-N 2.79Å; N520-R523 PolarHBondContact OD1-NH1 2.68Å; N520-R523 VanDerWaalsContact OD1-NH1 3.08Å; N520-V524 WeakPolarHBondContact O-CB 3.42Å; N520-V524 VanDerWaalsContact O-CG2 3.31Å; N520-V524 WeakPolarHBondContact O-CG2 3.18Å; N520-V524 PolarHBondContact O-N 2.86Å
521	Y	95.1	Very high	95.5	Very high	13 Å²	13	11.2 Å²	11.2	5%	0.051	5%	0.053	C	C	.	.	H	α-helix	trans	-56.9	-50.9	171.4	174.7	-97.6	0	0	0	112.2	Q86 G517 W519 R523 V524 A525 A602 F605	Q86-Y521 HydrophobicContact CG-CD2 3.61Å; Q86-Y521 HydrophobicContact CG-CE2 3.82Å; Q86-Y521 HydrophobicContact CG-CG 4.34Å; G517-Y521 WeakPolarHBondContact O-CB 3.23Å; G517-Y521 PolarHBondContact O-N 2.98Å; W519-Y521 VanDerWaalsContact C-N 3.34Å; W519-Y521 PolarHBondContact O-N 3.27Å; Y521-R523 PolarHBondContact O-N 3.19Å; Y521-V524 PolarHBondContact O-N 3.1Å; Y521-A525 VanDerWaalsContact O-CB 3.29Å; Y521-A525 WeakPolarHBondContact O-CB 3.18Å; Y521-A525 PolarHBondContact O-N 3.39Å; Y521-A602 WeakPolarHBondContact OH-CA 3.14Å; Y521-F605 PolarHBondContact OH-N 3.49Å; Y521-F605 VanDerWaalsContact OH-N 3.09Å
522	N	92.8	Very high	95.4	Very high	43 Å²	43	12.3 Å²	12.3	23%	0.23	6%	0.057	C	C	.	.	H	α-helix	trans	-62.5	-44.8	-179.5	-167.7	-54.1	0	0	0	112	A518 W519 A525 K526	A518-N522 PolarHBondContact O-N 3.22Å; W519-N522 PolarHBondContact O-N 2.6Å; N522-A525 PolarHBondContact O-N 3.05Å; N522-K526 WeakPolarHBondContact O-CB 3.32Å; N522-K526 WeakPolarHBondContact O-CG 3.36Å; N522-K526 PolarHBondContact O-N 3.5Å; N522-K526 WeakPolarHBondContact OD1-CD 3.47Å; N522-K526 VanDerWaalsContact OD1-CE 3.26Å; N522-K526 WeakPolarHBondContact OD1-CE 3.5Å
523	R	95.1	Very high	95.4	Very high	17 Å²	17	12.4 Å²	12.4	6%	0.064	6%	0.057	C	C	.	.	H	α-helix	trans	-57.7	-52.3	177.4	-78.5	164.2	-174.5	173	-3.9	112.4	W519 N520 Y521 K526 C527 G578 I579 E581	W519-R523 WeakPolarHBondContact O-CB 3.41Å; W519-R523 WeakPolarHBondContact O-CD 3.47Å; W519-R523 WeakPolarHBondContact O-CG 3.47Å; W519-R523 PolarHBondContact O-N 3.36Å; N520-R523 PolarHBondContact O-N 2.79Å; N520-R523 PolarHBondContact OD1-NH1 2.68Å; N520-R523 VanDerWaalsContact OD1-NH1 3.08Å; Y521-R523 PolarHBondContact O-N 3.19Å; R523-K526 PolarHBondContact O-N 3.21Å; R523-C527 WeakPolarHBondContact O-CB 3.13Å; R523-C527 PolarHBondContact O-N 3.45Å; R523-G578 VanDerWaalsContact CB-O 3.25Å; R523-G578 WeakPolarHBondContact CB-O 3.43Å; R523-G578 WeakPolarHBondContact CD-O 3.31Å; R523-G578 WeakPolarHBondContact CG-O 3.49Å; R523-I579 VanDerWaalsContact CZ-O 3.31Å; R523-I579 PolarHBondContact NE-O 3.14Å; R523-E581 HydrophobicContact CG-CB 4.04Å; R523-E581 PolarHBondContact NE-O 3.3Å; R523-E581 PolarHBondContact NH2-O 3.5Å
524	V	95.4	Very high	95.3	Very high	7 Å²	7	12.4 Å²	12.4	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-64	-45.6	-179.5	170.9	0	0	0	0	110.2	L47 E82 N520 Y521 K526 C527 I528	L47-V524 HydrophobicContact CD2-CG1 4.15Å; E82-V524 HydrophobicContact CB-CB 4.28Å; E82-V524 HydrophobicContact CB-CG1 4.49Å; E82-V524 HydrophobicContact CB-CG2 4.32Å; N520-V524 WeakPolarHBondContact O-CB 3.42Å; N520-V524 VanDerWaalsContact O-CG2 3.31Å; N520-V524 WeakPolarHBondContact O-CG2 3.18Å; N520-V524 PolarHBondContact O-N 2.86Å; Y521-V524 PolarHBondContact O-N 3.1Å; V524-K526 PolarHBondContact O-N 2.85Å; V524-C527 PolarHBondContact O-N 2.89Å; V524-I528 HydrophobicContact CG1-CD1 3.78Å; V524-I528 HydrophobicContact CG1-CG1 4.39Å; V524-I528 WeakPolarHBondContact O-CG1 3.43Å; V524-I528 PolarHBondContact O-N 2.9Å
525	A	94.1	Very high	95.3	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	6%	0.057	C	C	.	.	H	α-helix	trans	-56.5	-50.7	177.2	0	0	0	0	0	112.3	Y521 N522 C527 I528 L529 F605	Y521-A525 VanDerWaalsContact O-CB 3.29Å; Y521-A525 WeakPolarHBondContact O-CB 3.18Å; Y521-A525 PolarHBondContact O-N 3.39Å; N522-A525 PolarHBondContact O-N 3.05Å; A525-C527 PolarHBondContact O-N 2.83Å; A525-I528 PolarHBondContact O-N 3.09Å; A525-L529 VanDerWaalsContact O-CG 3.27Å; A525-L529 WeakPolarHBondContact O-CG 3.2Å; A525-L529 PolarHBondContact O-N 3.3Å; A525-L529 VanDerWaalsContact O-N 3.07Å; A525-F605 HydrophobicContact CB-CB 3.91Å
526	K	93.9	Very high	95.3	Very high	40 Å²	40	13.4 Å²	13.4	17%	0.174	6%	0.063	C	C	.	.	H	α-helix	trans	-63.2	-40.7	178.3	-76.7	-172.9	175.9	-165.8	0	112.6	N522 R523 V524 L529 Y530 E581 E668 S670	N522-K526 WeakPolarHBondContact O-CB 3.32Å; N522-K526 WeakPolarHBondContact O-CG 3.36Å; N522-K526 PolarHBondContact O-N 3.5Å; N522-K526 WeakPolarHBondContact OD1-CD 3.47Å; N522-K526 VanDerWaalsContact OD1-CE 3.26Å; N522-K526 WeakPolarHBondContact OD1-CE 3.5Å; R523-K526 PolarHBondContact O-N 3.21Å; V524-K526 PolarHBondContact O-N 2.85Å; K526-L529 PolarHBondContact O-N 3.19Å; K526-Y530 VanDerWaalsContact O-CB 3.29Å; K526-Y530 WeakPolarHBondContact O-CB 3.32Å; K526-Y530 PolarHBondContact O-N 3.45Å; K526-E581 HydrophobicContact CD-CG 4.05Å; K526-E581 IonicContact NZ-OE1 2.78Å; K526-E581 PolarHBondContact NZ-OE1 3.11Å; K526-E668 PolarHBondContact NZ-O 3.15Å; K526-S670 PolarHBondContact NZ-OG 3.49Å
527	C	95.6	Very high	95.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-47.9	176.7	179.1	0	0	0	0	111.6	I50 R523 V524 A525 Y530 C531	I50-C527 HydrophobicContact CD1-CB 4.05Å; I50-C527 WeakPolarHBondContact CD1-SG 3.23Å; R523-C527 WeakPolarHBondContact O-CB 3.13Å; R523-C527 PolarHBondContact O-N 3.45Å; V524-C527 PolarHBondContact O-N 2.89Å; A525-C527 PolarHBondContact O-N 2.83Å; C527-Y530 PolarHBondContact O-N 3.27Å; C527-C531 WeakPolarHBondContact O-CB 3.19Å; C527-C531 PolarHBondContact O-N 3.33Å; C527-C531 PolarHBondContact O-SG 3.29Å
528	I	95.4	Very high	95.3	Very high	28 Å²	28	13 Å²	13	14%	0.144	6%	0.061	C	C	.	.	H	α-helix	trans	-59.7	-51.7	179	-66.1	169.6	0	0	0	110.1	L43 L47 V524 A525 Y530 C531 F532 F605	L43-I528 HydrophobicContact CD1-CG1 4.43Å; L47-I528 HydrophobicContact CD1-CD1 4.33Å; L47-I528 HydrophobicContact CD1-CG1 4.09Å; L47-I528 HydrophobicContact CD2-CG1 3.96Å; V524-I528 HydrophobicContact CG1-CD1 3.78Å; V524-I528 HydrophobicContact CG1-CG1 4.39Å; V524-I528 WeakPolarHBondContact O-CG1 3.43Å; V524-I528 PolarHBondContact O-N 2.9Å; A525-I528 PolarHBondContact O-N 3.09Å; I528-Y530 VanDerWaalsContact C-N 3.31Å; I528-Y530 PolarHBondContact O-N 2.79Å; I528-C531 PolarHBondContact O-N 3.46Å; I528-F532 HydrophobicContact CG2-CD2 3.96Å; I528-F532 HydrophobicContact CG2-CE2 4.04Å; I528-F532 WeakPolarHBondContact O-CD2 3.45Å; I528-F532 PolarHBondContact O-N 2.84Å; I528-F532 VanDerWaalsContact O-N 3.09Å; I528-F605 HydrophobicContact CB-CE2 4.21Å; I528-F605 HydrophobicContact CG2-CE2 3.66Å; I528-F605 HydrophobicContact CG2-CZ 4.03Å
529	L	95.6	Very high	95.3	Very high	7 Å²	7	13.2 Å²	13.2	4%	0.037	6%	0.061	C	C	.	.	H	α-helix	trans	-58.8	-42.8	-178.8	-67.8	170.5	0	0	0	111.9	A525 K526 Y533 F605 V609 F610 H613	A525-L529 VanDerWaalsContact O-CG 3.27Å; A525-L529 WeakPolarHBondContact O-CG 3.2Å; A525-L529 PolarHBondContact O-N 3.3Å; A525-L529 VanDerWaalsContact O-N 3.07Å; K526-L529 PolarHBondContact O-N 3.19Å; L529-Y533 VanDerWaalsContact O-CB 3.31Å; L529-Y533 WeakPolarHBondContact O-CB 3.33Å; L529-Y533 PolarHBondContact O-N 3.46Å; L529-F605 HydrophobicContact CD2-CD2 4.18Å; L529-F605 HydrophobicContact CD2-CE2 4.2Å; L529-F605 HydrophobicContact CG-CD2 4.21Å; L529-F605 HydrophobicContact CG-CE2 4.47Å; L529-V609 HydrophobicContact CD1-CG1 3.69Å; L529-V609 HydrophobicContact CD2-CG1 4.08Å; L529-F610 HydrophobicContact CD2-CB 4.36Å; L529-F610 HydrophobicContact CD2-CD2 4.41Å; L529-H613 HydrophobicContact CD2-CB 4.28Å
530	Y	96.5	Very high	95.3	Very high	6 Å²	6	12.5 Å²	12.5	2%	0.024	6%	0.06	C	C	.	.	H	α-helix	trans	-68.4	-40.4	178.2	178.9	-97.5	0	0	0	112.6	K526 C527 I528 F532 Y533 K534 P573 P574 L577 V661 A665	K526-Y530 VanDerWaalsContact O-CB 3.29Å; K526-Y530 WeakPolarHBondContact O-CB 3.32Å; K526-Y530 PolarHBondContact O-N 3.45Å; C527-Y530 PolarHBondContact O-N 3.27Å; I528-Y530 VanDerWaalsContact C-N 3.31Å; I528-Y530 PolarHBondContact O-N 2.79Å; Y530-F532 PolarHBondContact O-N 3.08Å; Y530-Y533 HydrophobicContact CD2-CD1 4.16Å; Y530-Y533 HydrophobicContact CE2-CD1 4.28Å; Y530-Y533 HydrophobicContact CE2-CE1 4.41Å; Y530-Y533 PolarHBondContact O-N 3.37Å; Y530-K534 HydrophobicContact CD1-CD 4.05Å; Y530-K534 HydrophobicContact CE1-CD 3.56Å; Y530-K534 PolarHBondContact O-N 3.12Å; Y530-P573 HydrophobicContact CE1-CB 4.09Å; Y530-P574 HydrophobicContact CD1-CB 3.94Å; Y530-P574 HydrophobicContact CD1-CG 4.45Å; Y530-P574 HydrophobicContact CE1-CB 4.3Å; Y530-P574 HydrophobicContact CE1-CG 4.36Å; Y530-L577 HydrophobicContact CD1-CD1 4.23Å; Y530-L577 HydrophobicContact CD2-CD1 4.29Å; Y530-L577 HydrophobicContact CG-CD1 3.92Å; Y530-V661 WeakPolarHBondContact CE2-O 3.34Å; Y530-V661 PolarHBondContact OH-O 3.22Å; Y530-A665 HydrophobicContact CD2-CB 4.26Å; Y530-A665 HydrophobicContact CE1-CB 4.4Å; Y530-A665 HydrophobicContact CE2-CB 3.56Å
531	C	96	Very high	95.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.8	-42	177.2	-81.9	0	0	0	0	112.5	L43 C527 I528 K534 N535	L43-C531 HydrophobicContact CD1-CB 3.73Å; C527-C531 WeakPolarHBondContact O-CB 3.19Å; C527-C531 PolarHBondContact O-N 3.33Å; C527-C531 PolarHBondContact O-SG 3.29Å; I528-C531 PolarHBondContact O-N 3.46Å; C531-K534 WeakPolarHBondContact O-CG 3.33Å; C531-N535 PolarHBondContact O-N 2.93Å; C531-N535 PolarHBondContact O-ND2 2.85Å
532	F	95.8	Very high	95.2	Very high	43 Å²	43	12 Å²	12	19%	0.189	6%	0.058	C	C	.	.	H	α-helix	trans	-68.2	-47.5	174.3	-84.6	-82.1	0	0	0	111.9	P40 L43 I528 Y530 K534 N535 I536 F610	P40-F532 HydrophobicContact CG-CD1 4.22Å; P40-F532 HydrophobicContact CG-CE1 4.34Å; P40-F532 HydrophobicContact CG-CG 4.44Å; L43-F532 HydrophobicContact CD2-CD2 4.47Å; L43-F532 HydrophobicContact CD2-CE2 3.63Å; L43-F532 HydrophobicContact CD2-CZ 4.1Å; I528-F532 HydrophobicContact CG2-CD2 3.96Å; I528-F532 HydrophobicContact CG2-CE2 4.04Å; I528-F532 WeakPolarHBondContact O-CD2 3.45Å; I528-F532 PolarHBondContact O-N 2.84Å; I528-F532 VanDerWaalsContact O-N 3.09Å; Y530-F532 PolarHBondContact O-N 3.08Å; F532-K534 PolarHBondContact O-N 3.03Å; F532-N535 PolarHBondContact O-N 3.39Å; F532-I536 WeakPolarHBondContact O-CB 3.23Å; F532-I536 VanDerWaalsContact O-CG1 3.29Å; F532-I536 WeakPolarHBondContact O-CG1 3.37Å; F532-I536 PolarHBondContact O-N 3.47Å; F532-F610 HydrophobicContact CB-CE2 4.09Å; F532-F610 AromaticContact CD1-CE2 3.96Å; F532-F610 HydrophobicContact CD1-CE2 3.96Å; F532-F610 AromaticContact CD1-CZ 3.85Å; F532-F610 HydrophobicContact CD1-CZ 3.85Å; F532-F610 AromaticContact CD2-CE2 3.56Å; F532-F610 HydrophobicContact CD2-CE2 3.56Å; F532-F610 HydrophobicContact CD2-CZ 4.27Å; F532-F610 HydrophobicContact CE1-CE2 4.25Å; F532-F610 HydrophobicContact CE1-CZ 4.03Å; F532-F610 AromaticContact CE2-CE2 3.87Å; F532-F610 HydrophobicContact CE2-CE2 3.87Å; F532-F610 HydrophobicContact CE2-CZ 4.43Å; F532-F610 AromaticContact CG-CE2 3.59Å; F532-F610 HydrophobicContact CG-CE2 3.59Å; F532-F610 AromaticContact CG-CZ 3.96Å; F532-F610 HydrophobicContact CG-CZ 3.96Å; F532-F610 HydrophobicContact CZ-CE2 4.2Å; F532-F610 HydrophobicContact CZ-CZ 4.31Å
533	Y	96.8	Very high	95.2	Very high	2 Å²	2	12 Å²	12	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-52	-53.3	177.3	159.2	-93	0	0	0	111.8	L529 Y530 N535 I536 V537 H620 V661 K664	L529-Y533 VanDerWaalsContact O-CB 3.31Å; L529-Y533 WeakPolarHBondContact O-CB 3.33Å; L529-Y533 PolarHBondContact O-N 3.46Å; Y530-Y533 HydrophobicContact CD2-CD1 4.16Å; Y530-Y533 HydrophobicContact CE2-CD1 4.28Å; Y530-Y533 HydrophobicContact CE2-CE1 4.41Å; Y530-Y533 PolarHBondContact O-N 3.37Å; Y533-N535 VanDerWaalsContact C-N 3.32Å; Y533-N535 PolarHBondContact O-N 3.34Å; Y533-I536 PolarHBondContact O-N 3.4Å; Y533-V537 HydrophobicContact CD2-CG2 4.08Å; Y533-V537 HydrophobicContact CE1-CG2 4.21Å; Y533-V537 HydrophobicContact CE2-CG2 3.65Å; Y533-V537 VanDerWaalsContact O-CG2 3.26Å; Y533-V537 WeakPolarHBondContact O-CG2 3.39Å; Y533-V537 PolarHBondContact O-N 2.86Å; Y533-H620 AromaticContact CE2-ND1 3.54Å; Y533-H620 AromaticContact CZ-ND1 3.54Å; Y533-H620 PolarHBondContact OH-CE1 3.49Å; Y533-H620 PolarHBondContact OH-ND1 2.62Å; Y533-V661 HydrophobicContact CE1-CB 4.36Å; Y533-V661 HydrophobicContact CE1-CG1 4.04Å; Y533-K664 HydrophobicContact CD1-CG 4.23Å; Y533-K664 HydrophobicContact CE1-CB 3.98Å; Y533-K664 HydrophobicContact CE1-CG 3.51Å; Y533-K664 HydrophobicContact CE2-CG 4.48Å
534	K	95.8	Very high	95.2	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-35.5	-175.2	78.7	-169.7	-176.1	74.7	0	112.9	Y530 C531 F532 L538 Y565 N566 T570 V661	Y530-K534 HydrophobicContact CD1-CD 4.05Å; Y530-K534 HydrophobicContact CE1-CD 3.56Å; Y530-K534 PolarHBondContact O-N 3.12Å; C531-K534 WeakPolarHBondContact O-CG 3.33Å; F532-K534 PolarHBondContact O-N 3.03Å; K534-L538 PolarHBondContact O-N 2.93Å; K534-Y565 HydrophobicContact CG-CE1 4.48Å; K534-Y565 PolarHBondContact O-OH 3.4Å; K534-Y565 VanDerWaalsContact O-OH 3.07Å; K534-N566 PolarHBondContact NZ-OD1 2.98Å; K534-T570 PolarHBondContact NZ-OG1 3.21Å; K534-V661 HydrophobicContact CB-CB 4.26Å; K534-V661 HydrophobicContact CB-CG1 4.17Å
535	N	94.7	Very high	95.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-70.3	-45.4	178.6	-82	-102.2	0	0	0	111	N37 P40 C531 F532 Y533 V537 L538 Y539 N566	N37-N535 PolarHBondContact O-OD1 3.29Å; P40-N535 HydrophobicContact CB-CB 4.46Å; P40-N535 WeakPolarHBondContact CB-ND2 3.25Å; P40-N535 HydrophobicContact CG-CB 3.98Å; C531-N535 PolarHBondContact O-N 2.93Å; C531-N535 PolarHBondContact O-ND2 2.85Å; F532-N535 PolarHBondContact O-N 3.39Å; Y533-N535 VanDerWaalsContact C-N 3.32Å; Y533-N535 PolarHBondContact O-N 3.34Å; N535-V537 VanDerWaalsContact C-N 3.28Å; N535-V537 PolarHBondContact O-N 2.92Å; N535-L538 PolarHBondContact O-N 3.36Å; N535-Y539 HydrophobicContact CB-CD2 4.16Å; N535-Y539 HydrophobicContact CB-CE2 4.28Å; N535-Y539 WeakPolarHBondContact O-CD2 3.4Å; N535-Y539 PolarHBondContact O-N 2.95Å; N535-Y539 WeakPolarHBondContact OD1-CE2 3.31Å; N535-N566 PolarHBondContact ND2-OD1 3.35Å; N535-N566 VanDerWaalsContact ND2-OD1 3.09Å; N535-N566 PolarHBondContact OD1-ND2 2.83Å; N535-N566 PolarHBondContact OD1-OD1 3.12Å; N535-N566 VanDerWaalsContact OD1-OD1 3.13Å
536	I	96	Very high	95	Very high	22 Å²	22	13.8 Å²	13.8	11%	0.113	6%	0.063	C	C	.	.	H	α-helix	trans	-58.9	-42.9	176	-69.3	170.2	0	0	0	110.3	F532 Y533 L538 I540 C614	F532-I536 WeakPolarHBondContact O-CB 3.23Å; F532-I536 VanDerWaalsContact O-CG1 3.29Å; F532-I536 WeakPolarHBondContact O-CG1 3.37Å; F532-I536 PolarHBondContact O-N 3.47Å; Y533-I536 PolarHBondContact O-N 3.4Å; I536-L538 PolarHBondContact O-N 3.48Å; I536-I540 HydrophobicContact CG2-CG1 3.8Å; I536-I540 WeakPolarHBondContact O-CB 3.43Å; I536-I540 WeakPolarHBondContact O-CG1 3.28Å; I536-I540 PolarHBondContact O-N 3.22Å; I536-I540 VanDerWaalsContact O-N 3.12Å; I536-C614 HydrophobicContact CD1-CB 3.6Å; I536-C614 WeakPolarHBondContact CD1-SG 3.27Å
537	V	96.8	Very high	94.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.8	-49.7	178.5	173	0	0	0	0	111.7	Y533 N535 I541 G617 H620 S621 L624 V657 V661	Y533-V537 HydrophobicContact CD2-CG2 4.08Å; Y533-V537 HydrophobicContact CE1-CG2 4.21Å; Y533-V537 HydrophobicContact CE2-CG2 3.65Å; Y533-V537 VanDerWaalsContact O-CG2 3.26Å; Y533-V537 WeakPolarHBondContact O-CG2 3.39Å; Y533-V537 PolarHBondContact O-N 2.86Å; N535-V537 VanDerWaalsContact C-N 3.28Å; N535-V537 PolarHBondContact O-N 2.92Å; V537-I541 WeakPolarHBondContact O-CD1 3.37Å; V537-I541 VanDerWaalsContact O-CG1 3.31Å; V537-I541 WeakPolarHBondContact O-CG1 3.31Å; V537-G617 WeakPolarHBondContact CG2-O 3.29Å; V537-H620 HydrophobicContact CG2-CB 4.07Å; V537-S621 WeakPolarHBondContact O-CB 3.09Å; V537-L624 HydrophobicContact CG1-CD1 3.5Å; V537-V657 HydrophobicContact CG1-CG1 4.01Å; V537-V657 HydrophobicContact CG1-CG2 4.43Å; V537-V661 HydrophobicContact CB-CG1 4.33Å; V537-V661 HydrophobicContact CG1-CG1 4.18Å
538	L	95.3	Very high	94.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-74.6	-51.3	-176.9	-175.5	73.2	0	0	0	112.3	K534 N535 I536 I540 I541 F557 Y565 Y654 V657	K534-L538 PolarHBondContact O-N 2.93Å; N535-L538 PolarHBondContact O-N 3.36Å; I536-L538 PolarHBondContact O-N 3.48Å; L538-I540 PolarHBondContact O-N 3.01Å; L538-I541 VanDerWaalsContact O-CB 3.3Å; L538-I541 WeakPolarHBondContact O-CB 3.16Å; L538-I541 PolarHBondContact O-N 3.47Å; L538-F557 HydrophobicContact CD1-CD2 4.04Å; L538-F557 HydrophobicContact CD1-CE1 4.3Å; L538-F557 HydrophobicContact CD1-CE2 3.43Å; L538-F557 VanDerWaalsContact CD1-CE2 3.43Å; L538-F557 HydrophobicContact CD1-CZ 3.58Å; L538-F557 HydrophobicContact CG-CD2 4.43Å; L538-F557 HydrophobicContact CG-CE2 3.96Å; L538-Y565 HydrophobicContact CB-CD1 4.39Å; L538-Y565 HydrophobicContact CB-CE1 3.93Å; L538-Y565 HydrophobicContact CB-CE2 4.46Å; L538-Y565 HydrophobicContact CD2-CD1 3.44Å; L538-Y565 VanDerWaalsContact CD2-CD1 3.44Å; L538-Y565 HydrophobicContact CD2-CD2 3.67Å; L538-Y565 HydrophobicContact CD2-CE1 3.83Å; L538-Y565 HydrophobicContact CD2-CE2 4.02Å; L538-Y565 HydrophobicContact CD2-CG 3.35Å; L538-Y565 HydrophobicContact CG-CE1 4.5Å; L538-Y654 HydrophobicContact CD1-CD2 3.84Å; L538-Y654 HydrophobicContact CD1-CE2 4.03Å; L538-Y654 HydrophobicContact CD2-CE2 4.09Å; L538-V657 HydrophobicContact CB-CG1 4.25Å; L538-V657 HydrophobicContact CD1-CB 4.35Å; L538-V657 HydrophobicContact CD1-CG1 3.9Å; L538-V657 HydrophobicContact CD1-CG2 4.37Å
539	Y	93.8	Very high	94.3	Very high	6 Å²	6	21.1 Å²	21.1	2%	0.024	10%	0.102	C	C	.	.	H	α-helix	trans	-79.8	-20.7	-167.2	-61.1	-62.4	0	0	0	113.6	N37 N535 I541 E542 I562 N566	N37-Y539 HydrophobicContact CB-CD1 3.75Å; N37-Y539 HydrophobicContact CB-CD2 3.66Å; N37-Y539 HydrophobicContact CB-CE1 3.47Å; N37-Y539 VanDerWaalsContact CB-CE1 3.47Å; N37-Y539 HydrophobicContact CB-CE2 3.38Å; N37-Y539 HydrophobicContact CB-CG 3.86Å; N37-Y539 WeakPolarHBondContact O-CD2 3.33Å; N37-Y539 WeakPolarHBondContact O-CE2 3.21Å; N535-Y539 HydrophobicContact CB-CD2 4.16Å; N535-Y539 HydrophobicContact CB-CE2 4.28Å; N535-Y539 WeakPolarHBondContact O-CD2 3.4Å; N535-Y539 PolarHBondContact O-N 2.95Å; N535-Y539 WeakPolarHBondContact OD1-CE2 3.31Å; Y539-I541 PolarHBondContact O-N 3.43Å; Y539-E542 PolarHBondContact O-N 2.78Å; Y539-I562 HydrophobicContact CE1-CG2 3.98Å; Y539-I562 PolarHBondContact OH-O 3.47Å; Y539-N566 PolarHBondContact OH-ND2 3.03Å
540	I	95.5	Very high	94	Very high	22 Å²	22	23.9 Å²	23.9	11%	0.113	13%	0.132	C	C	.	.	H	α-helix	trans	-71	-22.6	169.9	-64.3	-65.7	0	0	0	111.7	L38 I536 L538 E542 I543 W544 L618 S621	L38-I540 HydrophobicContact CD1-CD1 4.25Å; L38-I540 HydrophobicContact CD2-CD1 3.65Å; L38-I540 HydrophobicContact CD2-CG1 3.86Å; I536-I540 HydrophobicContact CG2-CG1 3.8Å; I536-I540 WeakPolarHBondContact O-CB 3.43Å; I536-I540 WeakPolarHBondContact O-CG1 3.28Å; I536-I540 PolarHBondContact O-N 3.22Å; I536-I540 VanDerWaalsContact O-N 3.12Å; L538-I540 PolarHBondContact O-N 3.01Å; I540-E542 PolarHBondContact O-N 3.3Å; I540-I543 HydrophobicContact CD1-CD1 3.6Å; I540-I543 WeakPolarHBondContact O-CA 3.44Å; I540-I543 VanDerWaalsContact O-CB 3.29Å; I540-I543 WeakPolarHBondContact O-CB 3.42Å; I540-I543 PolarHBondContact O-N 3.28Å; I540-W544 HydrophobicContact CG2-CZ2 4.1Å; I540-W544 PolarHBondContact O-N 3.17Å; I540-W544 VanDerWaalsContact O-N 3.14Å; I540-L618 HydrophobicContact CG2-CD1 3.63Å; I540-S621 WeakPolarHBondContact CG2-OG 3.17Å
541	I	96.1	Very high	93.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-33.3	174.9	-67.4	171	0	0	0	111.2	V537 L538 Y539 I543 W544 F545 L556 F557 L624 F625 V653 V657	V537-I541 WeakPolarHBondContact O-CD1 3.37Å; V537-I541 VanDerWaalsContact O-CG1 3.31Å; V537-I541 WeakPolarHBondContact O-CG1 3.31Å; L538-I541 VanDerWaalsContact O-CB 3.3Å; L538-I541 WeakPolarHBondContact O-CB 3.16Å; L538-I541 PolarHBondContact O-N 3.47Å; Y539-I541 PolarHBondContact O-N 3.43Å; I541-I543 PolarHBondContact O-N 2.86Å; I541-W544 CarbonylContact O-C 3.59Å; I541-W544 PolarHBondContact O-N 2.98Å; I541-W544 VanDerWaalsContact O-N 3.08Å; I541-F545 PolarHBondContact O-N 3.21Å; I541-L556 HydrophobicContact CG2-CD2 3.64Å; I541-F557 HydrophobicContact CB-CE2 4.33Å; I541-F557 HydrophobicContact CB-CZ 4.22Å; I541-F557 HydrophobicContact CD1-CZ 4.31Å; I541-F557 HydrophobicContact CG2-CE2 4.24Å; I541-F557 HydrophobicContact CG2-CZ 3.84Å; I541-L624 HydrophobicContact CD1-CB 4.21Å; I541-F625 HydrophobicContact CG1-CB 4.25Å; I541-F625 HydrophobicContact CG2-CB 4Å; I541-F625 HydrophobicContact CG2-CD2 3.59Å; I541-F625 HydrophobicContact CG2-CE2 4.44Å; I541-F625 HydrophobicContact CG2-CG 4.09Å; I541-V653 HydrophobicContact CD1-CG1 3.77Å; I541-V653 HydrophobicContact CG2-CG1 4.06Å; I541-V657 HydrophobicContact CD1-CG2 3.46Å; I541-V657 VanDerWaalsContact CD1-CG2 3.46Å
542	E	92.4	Very high	93.1	Very high	2 Å²	2	32 Å²	32	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-31	174.9	-62	-70	-176	0	0	111.9	L34 F35 Y539 I540 F545 A546 L556 F557	L34-E542 HydrophobicContact CD1-CB 4.25Å; L34-E542 HydrophobicContact CD1-CG 4.25Å; L34-E542 HydrophobicContact CD2-CB 4.34Å; L34-E542 HydrophobicContact CG-CB 4.26Å; F35-E542 HydrophobicContact CE1-CB 4.11Å; Y539-E542 PolarHBondContact O-N 2.78Å; I540-E542 PolarHBondContact O-N 3.3Å; E542-F545 PolarHBondContact O-N 2.72Å; E542-A546 WeakPolarHBondContact O-CB 3.38Å; E542-A546 PolarHBondContact O-N 3.42Å; E542-L556 PolarHBondContact OE1-N 3.43Å; E542-L556 PolarHBondContact OE2-N 3.47Å; E542-F557 WeakPolarHBondContact OE1-CD2 3.42Å; E542-F557 PolarHBondContact OE1-N 2.9Å
543	I	92.6	Very high	92.5	Very high	44 Å²	44	30.7 Å²	30.7	23%	0.226	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-44.6	171	-61.7	177	0	0	0	110.1	F35 I540 I541 F545 A546 F547	F35-I543 HydrophobicContact CD1-CD1 4.44Å; F35-I543 HydrophobicContact CD1-CG1 3.93Å; F35-I543 HydrophobicContact CE1-CB 4.36Å; F35-I543 HydrophobicContact CE1-CD1 4.19Å; F35-I543 HydrophobicContact CE1-CG1 3.26Å; F35-I543 HydrophobicContact CE2-CG1 4.02Å; F35-I543 HydrophobicContact CZ-CB 4.34Å; F35-I543 HydrophobicContact CZ-CD1 4.24Å; F35-I543 HydrophobicContact CZ-CG1 3.33Å; I540-I543 HydrophobicContact CD1-CD1 3.6Å; I540-I543 WeakPolarHBondContact O-CA 3.44Å; I540-I543 VanDerWaalsContact O-CB 3.29Å; I540-I543 WeakPolarHBondContact O-CB 3.42Å; I540-I543 PolarHBondContact O-N 3.28Å; I541-I543 PolarHBondContact O-N 2.86Å; I543-F545 VanDerWaalsContact C-N 3.26Å; I543-F545 PolarHBondContact O-N 3.31Å; I543-A546 VanDerWaalsContact O-CB 3.31Å; I543-A546 WeakPolarHBondContact O-CB 3.32Å; I543-A546 PolarHBondContact O-N 3.09Å; I543-A546 VanDerWaalsContact O-N 3.12Å; I543-F547 HydrophobicContact CG2-CE2 3.97Å; I543-F547 VanDerWaalsContact O-CD2 3.24Å; I543-F547 WeakPolarHBondContact O-CD2 3.33Å; I543-F547 PolarHBondContact O-N 2.91Å
544	W	94.8	Very high	92.2	Very high	50 Å²	50	34.3 Å²	34.3	19%	0.189	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-37.3	177.1	-57.1	138.3	0	0	0	112.1	I540 I541 A546 F547 L618 S621 V622 F625	I540-W544 HydrophobicContact CG2-CZ2 4.1Å; I540-W544 PolarHBondContact O-N 3.17Å; I540-W544 VanDerWaalsContact O-N 3.14Å; I541-W544 CarbonylContact O-C 3.59Å; I541-W544 PolarHBondContact O-N 2.98Å; I541-W544 VanDerWaalsContact O-N 3.08Å; W544-A546 VanDerWaalsContact C-N 3.35Å; W544-F547 AromaticContact CE3-CD2 3.97Å; W544-F547 HydrophobicContact CE3-CD2 3.97Å; W544-F547 AromaticContact CE3-CE2 3.93Å; W544-F547 HydrophobicContact CE3-CE2 3.93Å; W544-F547 HydrophobicContact CZ3-CD2 4.43Å; W544-F547 AromaticContact CZ3-CE2 3.96Å; W544-F547 HydrophobicContact CZ3-CE2 3.96Å; W544-F547 PolarHBondContact O-N 2.67Å; W544-L618 HydrophobicContact CH2-CD1 4.41Å; W544-L618 HydrophobicContact CZ2-CD1 3.63Å; W544-S621 PolarHBondContact NE1-OG 3.48Å; W544-V622 HydrophobicContact CH2-CG2 4.27Å; W544-V622 HydrophobicContact CZ2-CG2 3.42Å; W544-V622 VanDerWaalsContact CZ2-CG2 3.42Å; W544-F625 HydrophobicContact CB-CB 4.34Å; W544-F625 HydrophobicContact CB-CD1 3.3Å; W544-F625 HydrophobicContact CB-CD2 4.48Å; W544-F625 HydrophobicContact CB-CE1 3.57Å; W544-F625 HydrophobicContact CB-CG 3.79Å; W544-F625 HydrophobicContact CB-CZ 4.28Å; W544-F625 HydrophobicContact CG-CD1 4.18Å; W544-F625 WeakPolarHBondContact O-CE1 3.4Å
545	F	93.7	Very high	92	Very high	16 Å²	16	36 Å²	36	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-34.3	173.7	-172.8	-122.6	0	0	0	112.5	I541 E542 I543 F547 V548 N549 Q554 L556 F625 Y646	I541-F545 PolarHBondContact O-N 3.21Å; E542-F545 PolarHBondContact O-N 2.72Å; I543-F545 VanDerWaalsContact C-N 3.26Å; I543-F545 PolarHBondContact O-N 3.31Å; F545-F547 PolarHBondContact O-N 3.34Å; F545-V548 HydrophobicContact CD2-CG2 3.53Å; F545-V548 HydrophobicContact CE2-CG2 3.96Å; F545-V548 HydrophobicContact CG-CG2 4.4Å; F545-V548 WeakPolarHBondContact O-CG2 2.93Å; F545-V548 PolarHBondContact O-N 2.99Å; F545-N549 WeakPolarHBondContact CD1-ND2 3.14Å; F545-N549 HydrophobicContact CE1-CB 4.28Å; F545-N549 VanDerWaalsContact CE1-ND2 3.34Å; F545-N549 WeakPolarHBondContact CE1-ND2 3.46Å; F545-N549 HydrophobicContact CZ-CB 4.26Å; F545-N549 VanDerWaalsContact O-CG 3.28Å; F545-N549 PolarHBondContact O-N 3.27Å; F545-N549 PolarHBondContact O-ND2 3.16Å; F545-Q554 WeakPolarHBondContact CD1-O 3.48Å; F545-Q554 HydrophobicContact CE1-CB 4.28Å; F545-Q554 HydrophobicContact CE1-CG 3.98Å; F545-Q554 WeakPolarHBondContact CE1-O 3.38Å; F545-L556 HydrophobicContact CB-CB 4.24Å; F545-L556 HydrophobicContact CD1-CB 3.71Å; F545-L556 HydrophobicContact CD1-CD1 4.47Å; F545-L556 HydrophobicContact CD2-CB 4.46Å; F545-L556 HydrophobicContact CD2-CD1 3.93Å; F545-L556 HydrophobicContact CE1-CB 4.14Å; F545-L556 HydrophobicContact CE1-CD1 4.44Å; F545-L556 HydrophobicContact CE2-CD1 3.92Å; F545-L556 HydrophobicContact CG-CB 3.89Å; F545-L556 HydrophobicContact CG-CD1 4.23Å; F545-L556 HydrophobicContact CG-CG 4.44Å; F545-L556 HydrophobicContact CZ-CD1 4.18Å; F545-F625 HydrophobicContact CB-CE2 3.94Å; F545-F625 HydrophobicContact CB-CZ 4.13Å; F545-F625 HydrophobicContact CD2-CE2 4.08Å; F545-F625 HydrophobicContact CD2-CZ 4.21Å; F545-F625 HydrophobicContact CG-CE2 4.47Å; F545-Y646 HydrophobicContact CZ-CD2 4.35Å
546	A	91.3	Very high	91.9	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-35.4	175	0	0	0	0	0	113	F31 E542 I543 W544 V548 N549 G550 F551	F31-A546 HydrophobicContact CE1-CB 4.28Å; E542-A546 WeakPolarHBondContact O-CB 3.38Å; E542-A546 PolarHBondContact O-N 3.42Å; I543-A546 VanDerWaalsContact O-CB 3.31Å; I543-A546 WeakPolarHBondContact O-CB 3.32Å; I543-A546 PolarHBondContact O-N 3.09Å; I543-A546 VanDerWaalsContact O-N 3.12Å; W544-A546 VanDerWaalsContact C-N 3.35Å; A546-V548 VanDerWaalsContact C-N 3.26Å; A546-V548 PolarHBondContact O-N 3.46Å; A546-N549 WeakPolarHBondContact CA-OD1 3.3Å; A546-N549 PolarHBondContact O-N 2.81Å; A546-N549 PolarHBondContact O-OD1 3.18Å; A546-G550 PolarHBondContact O-N 3Å; A546-F551 HydrophobicContact CB-CD1 3.76Å; A546-F551 HydrophobicContact CB-CE1 3.91Å; A546-F551 HydrophobicContact CB-CG 4.33Å; A546-F551 PolarHBondContact O-N 3.49Å
547	F	92.3	Very high	91.8	Very high	117 Å²	117	35.1 Å²	35.1	51%	0.513	20%	0.197	S	C	.	.	H	α-helix	trans	-64.5	-28.3	176.3	-76.7	-76.7	0	0	0	113.6	I543 W544 F545 F551	I543-F547 HydrophobicContact CG2-CE2 3.97Å; I543-F547 VanDerWaalsContact O-CD2 3.24Å; I543-F547 WeakPolarHBondContact O-CD2 3.33Å; I543-F547 PolarHBondContact O-N 2.91Å; W544-F547 AromaticContact CE3-CD2 3.97Å; W544-F547 HydrophobicContact CE3-CD2 3.97Å; W544-F547 AromaticContact CE3-CE2 3.93Å; W544-F547 HydrophobicContact CE3-CE2 3.93Å; W544-F547 HydrophobicContact CZ3-CD2 4.43Å; W544-F547 AromaticContact CZ3-CE2 3.96Å; W544-F547 HydrophobicContact CZ3-CE2 3.96Å; W544-F547 PolarHBondContact O-N 2.67Å; F545-F547 PolarHBondContact O-N 3.34Å; F547-F551 AromaticContact CD1-CE2 3.88Å; F547-F551 HydrophobicContact CD1-CE2 3.88Å; F547-F551 AromaticContact CD1-CZ 3.68Å; F547-F551 HydrophobicContact CD1-CZ 3.68Å; F547-F551 HydrophobicContact CD2-CZ 4.44Å; F547-F551 HydrophobicContact CE1-CE2 4.19Å; F547-F551 AromaticContact CE1-CZ 3.66Å; F547-F551 HydrophobicContact CE1-CZ 3.66Å; F547-F551 HydrophobicContact CE2-CZ 4.44Å; F547-F551 HydrophobicContact CG-CE2 4.42Å; F547-F551 HydrophobicContact CG-CZ 4.09Å; F547-F551 HydrophobicContact CZ-CZ 4.06Å
548	V	90.3	Very high	91.5	Very high	71 Å²	71	36.3 Å²	36.3	43%	0.43	20%	0.203	S	C	.	.	H	α-helix	trans	-96.6	-20.6	-179.8	-58.9	0	0	0	0	113	F545 A546 F625 L629	F545-V548 HydrophobicContact CD2-CG2 3.53Å; F545-V548 HydrophobicContact CE2-CG2 3.96Å; F545-V548 HydrophobicContact CG-CG2 4.4Å; F545-V548 WeakPolarHBondContact O-CG2 2.93Å; F545-V548 PolarHBondContact O-N 2.99Å; A546-V548 VanDerWaalsContact C-N 3.26Å; A546-V548 PolarHBondContact O-N 3.46Å; V548-F625 HydrophobicContact CG2-CZ 4.09Å; V548-L629 HydrophobicContact CG1-CD2 4.08Å
549	N	88.4	Confident	91.1	Very high	33 Å²	33	44.8 Å²	44.8	18%	0.176	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	8	179.7	76.1	26.7	0	0	0	114.1	F545 A546 F551 S552 Q554	F545-N549 WeakPolarHBondContact CD1-ND2 3.14Å; F545-N549 HydrophobicContact CE1-CB 4.28Å; F545-N549 VanDerWaalsContact CE1-ND2 3.34Å; F545-N549 WeakPolarHBondContact CE1-ND2 3.46Å; F545-N549 HydrophobicContact CZ-CB 4.26Å; F545-N549 VanDerWaalsContact O-CG 3.28Å; F545-N549 PolarHBondContact O-N 3.27Å; F545-N549 PolarHBondContact O-ND2 3.16Å; A546-N549 WeakPolarHBondContact CA-OD1 3.3Å; A546-N549 PolarHBondContact O-N 2.81Å; A546-N549 PolarHBondContact O-OD1 3.18Å; N549-F551 PolarHBondContact OD1-N 2.93Å; N549-F551 VanDerWaalsContact OD1-N 3.11Å; N549-S552 PolarHBondContact O-OG 2.66Å; N549-S552 PolarHBondContact OD1-N 3.37Å; N549-S552 PolarHBondContact OD1-OG 3.44Å; N549-Q554 PolarHBondContact ND2-O 3.32Å
550	G	89.1	Confident	90.9	Very high	65 Å²	65	50.4 Å²	50.4	67%	0.67	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	26.4	178.5	0	0	0	0	0	114.6	A546 S552	A546-G550 PolarHBondContact O-N 3Å; G550-S552 VanDerWaalsContact C-N 3.26Å; G550-S552 PolarHBondContact O-N 2.91Å
551	F	87.6	Confident	90.7	Very high	101 Å²	101	49.4 Å²	49.4	44%	0.443	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	36.5	-175.9	-67	-92.2	0	0	0	113.8	F31 A546 F547 N549 G553	F31-F551 HydrophobicContact CE1-CD1 4.36Å; F31-F551 HydrophobicContact CE2-CB 4.3Å; F31-F551 WeakPolarHBondContact CE2-O 3.16Å; F31-F551 HydrophobicContact CZ-CB 3.85Å; F31-F551 AromaticContact CZ-CD1 3.9Å; F31-F551 HydrophobicContact CZ-CD1 3.9Å; F31-F551 HydrophobicContact CZ-CG 4.39Å; F31-F551 WeakPolarHBondContact CZ-O 3.37Å; A546-F551 HydrophobicContact CB-CD1 3.76Å; A546-F551 HydrophobicContact CB-CE1 3.91Å; A546-F551 HydrophobicContact CB-CG 4.33Å; A546-F551 PolarHBondContact O-N 3.49Å; F547-F551 AromaticContact CD1-CE2 3.88Å; F547-F551 HydrophobicContact CD1-CE2 3.88Å; F547-F551 AromaticContact CD1-CZ 3.68Å; F547-F551 HydrophobicContact CD1-CZ 3.68Å; F547-F551 HydrophobicContact CD2-CZ 4.44Å; F547-F551 HydrophobicContact CE1-CE2 4.19Å; F547-F551 AromaticContact CE1-CZ 3.66Å; F547-F551 HydrophobicContact CE1-CZ 3.66Å; F547-F551 HydrophobicContact CE2-CZ 4.44Å; F547-F551 HydrophobicContact CG-CE2 4.42Å; F547-F551 HydrophobicContact CG-CZ 4.09Å; F547-F551 HydrophobicContact CZ-CZ 4.06Å; N549-F551 PolarHBondContact OD1-N 2.93Å; N549-F551 VanDerWaalsContact OD1-N 3.11Å; F551-G553 VanDerWaalsContact C-N 3.27Å; F551-G553 PolarHBondContact O-N 3.22Å
552	S	86.8	Confident	90.4	Very high	76 Å²	76	50.5 Å²	50.5	53%	0.531	26%	0.256	S	S	.	.			trans	-74.7	-12.9	-179.8	52.2	0	0	0	0	114.3	N549 G550 Q554	N549-S552 PolarHBondContact O-OG 2.66Å; N549-S552 PolarHBondContact OD1-N 3.37Å; N549-S552 PolarHBondContact OD1-OG 3.44Å; G550-S552 VanDerWaalsContact C-N 3.26Å; G550-S552 PolarHBondContact O-N 2.91Å; S552-Q554 VanDerWaalsContact C-N 3.31Å
553	G	83.4	Confident	90.2	Very high	16 Å²	16	52.6 Å²	52.6	17%	0.165	28%	0.279	C	S	.	.			trans	80.1	10.1	-174.1	0	0	0	0	0	114	F551 I555	F551-G553 VanDerWaalsContact C-N 3.27Å; F551-G553 PolarHBondContact O-N 3.22Å; G553-I555 PolarHBondContact O-N 2.72Å
554	Q	88.9	Confident	90.2	Very high	77 Å²	77	52.5 Å²	52.5	36%	0.36	28%	0.278	S	S	.	.			trans	-65.3	130.4	173.1	-179.9	59	44.3	0	0	110.8	F545 N549 S552 Y646	F545-Q554 WeakPolarHBondContact CD1-O 3.48Å; F545-Q554 HydrophobicContact CE1-CB 4.28Å; F545-Q554 HydrophobicContact CE1-CG 3.98Å; F545-Q554 WeakPolarHBondContact CE1-O 3.38Å; N549-Q554 PolarHBondContact ND2-O 3.32Å; S552-Q554 VanDerWaalsContact C-N 3.31Å; Q554-Y646 PolarHBondContact NE2-OH 3.5Å; Q554-Y646 VanDerWaalsContact NE2-OH 3.11Å
555	I	91.9	Very high	90.1	Very high	37 Å²	37	50.1 Å²	50.1	19%	0.19	27%	0.269	C	S	.	.			trans	-78.7	138.4	174.5	57.6	-177.9	0	0	0	110.8	L34 G553 F557 R559 I562	L34-I555 HydrophobicContact CD1-CG2 3.5Å; L34-I555 VanDerWaalsContact CD1-CG2 3.5Å; G553-I555 PolarHBondContact O-N 2.72Å; I555-F557 VanDerWaalsContact CD1-O 3.25Å; I555-F557 WeakPolarHBondContact CD1-O 3.39Å; I555-F557 WeakPolarHBondContact CG1-O 3.38Å; I555-R559 HydrophobicContact CD1-CG 3.58Å; I555-I562 HydrophobicContact CB-CD1 4.24Å; I555-I562 HydrophobicContact CD1-CD1 4.3Å; I555-I562 HydrophobicContact CG2-CD1 4.17Å
556	L	93	Very high	90	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-77.3	-39.7	172.8	-179.5	62.1	0	0	0	111.3	I541 E542 F545 F625 L649 V653	I541-L556 HydrophobicContact CG2-CD2 3.64Å; E542-L556 PolarHBondContact OE1-N 3.43Å; E542-L556 PolarHBondContact OE2-N 3.47Å; F545-L556 HydrophobicContact CB-CB 4.24Å; F545-L556 HydrophobicContact CD1-CB 3.71Å; F545-L556 HydrophobicContact CD1-CD1 4.47Å; F545-L556 HydrophobicContact CD2-CB 4.46Å; F545-L556 HydrophobicContact CD2-CD1 3.93Å; F545-L556 HydrophobicContact CE1-CB 4.14Å; F545-L556 HydrophobicContact CE1-CD1 4.44Å; F545-L556 HydrophobicContact CE2-CD1 3.92Å; F545-L556 HydrophobicContact CG-CB 3.89Å; F545-L556 HydrophobicContact CG-CD1 4.23Å; F545-L556 HydrophobicContact CG-CG 4.44Å; F545-L556 HydrophobicContact CZ-CD1 4.18Å; L556-F625 HydrophobicContact CD2-CD2 4.02Å; L556-F625 HydrophobicContact CD2-CE2 4Å; L556-L649 HydrophobicContact CD1-CD2 4.43Å; L556-L649 HydrophobicContact CD1-CG 4.48Å; L556-V653 HydrophobicContact CD2-CG1 4.44Å
557	F	93	Very high	90	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.013	30%	0.297	C	S	.	.	S	Bend	trans	-94.4	152.8	-178.8	-50.4	-60.2	0	0	0	111.5	L538 I541 E542 I555 I562 G650 V653 Y654	L538-F557 HydrophobicContact CD1-CD2 4.04Å; L538-F557 HydrophobicContact CD1-CE1 4.3Å; L538-F557 HydrophobicContact CD1-CE2 3.43Å; L538-F557 VanDerWaalsContact CD1-CE2 3.43Å; L538-F557 HydrophobicContact CD1-CZ 3.58Å; L538-F557 HydrophobicContact CG-CD2 4.43Å; L538-F557 HydrophobicContact CG-CE2 3.96Å; I541-F557 HydrophobicContact CB-CE2 4.33Å; I541-F557 HydrophobicContact CB-CZ 4.22Å; I541-F557 HydrophobicContact CD1-CZ 4.31Å; I541-F557 HydrophobicContact CG2-CE2 4.24Å; I541-F557 HydrophobicContact CG2-CZ 3.84Å; E542-F557 WeakPolarHBondContact OE1-CD2 3.42Å; E542-F557 PolarHBondContact OE1-N 2.9Å; I555-F557 VanDerWaalsContact CD1-O 3.25Å; I555-F557 WeakPolarHBondContact CD1-O 3.39Å; I555-F557 WeakPolarHBondContact CG1-O 3.38Å; F557-I562 HydrophobicContact CB-CD1 4.17Å; F557-I562 HydrophobicContact CB-CG1 3.75Å; F557-I562 HydrophobicContact CD2-CG1 4.49Å; F557-G650 WeakPolarHBondContact CD1-O 3.36Å; F557-G650 WeakPolarHBondContact CE1-O 3.4Å; F557-V653 HydrophobicContact CE1-CB 4.16Å; F557-V653 HydrophobicContact CE1-CG1 3.91Å; F557-V653 HydrophobicContact CZ-CG1 3.93Å; F557-Y654 HydrophobicContact CB-CD2 4.4Å; F557-Y654 AromaticContact CD1-CD2 3.66Å; F557-Y654 HydrophobicContact CD1-CD2 3.66Å; F557-Y654 HydrophobicContact CD1-CG 4.25Å; F557-Y654 HydrophobicContact CD2-CD2 4.5Å; F557-Y654 HydrophobicContact CE1-CD2 4.01Å; F557-Y654 HydrophobicContact CE1-CG 4.45Å; F557-Y654 AromaticContact CG-CD2 3.93Å; F557-Y654 HydrophobicContact CG-CD2 3.93Å
558	E	90.5	Very high	90	Very high	26 Å²	26	52.1 Å²	52.1	12%	0.121	29%	0.289	C	S	.	.			trans	-69.2	148.5	173.4	-165.8	-74	134.2	0	0	111.4	W560 C561 I562 L647 M707	E558-W560 VanDerWaalsContact C-N 3.33Å; E558-W560 PolarHBondContact O-N 2.7Å; E558-W560 PolarHBondContact OE1-N 2.78Å; E558-W560 WeakPolarHBondContact OE2-CA 3.31Å; E558-W560 VanDerWaalsContact OE2-CB 3.26Å; E558-W560 WeakPolarHBondContact OE2-CB 3.15Å; E558-W560 PolarHBondContact OE2-N 2.97Å; E558-C561 WeakPolarHBondContact O-CA 3.48Å; E558-C561 WeakPolarHBondContact O-CB 3.49Å; E558-C561 PolarHBondContact O-N 3.44Å; E558-C561 PolarHBondContact OE2-N 3.47Å; E558-I562 PolarHBondContact O-N 2.99Å; E558-L647 HydrophobicContact CB-CD1 4.22Å; E558-M707 HydrophobicContact CB-CE 3.24Å; E558-M707 HydrophobicContact CG-CE 3.74Å; E558-M707 HydrophobicContact CG-CG 4.14Å
559	R	87.8	Confident	90.2	Very high	177 Å²	177	48.8 Å²	48.8	67%	0.668	27%	0.268	S	S	*	.	H	α-helix	trans	-57	-40	-169	-60.8	175.8	177.5	175.7	0	113.2	I555 G563	I555-R559 HydrophobicContact CD1-CG 3.58Å; R559-G563 PolarHBondContact O-N 3.46Å
560	W	89.8	Confident	90.6	Very high	124 Å²	124	47.2 Å²	47.2	47%	0.47	26%	0.26	S	S	.	.	H	α-helix	trans	-75.2	-33.3	176.7	-68.3	96.5	0	0	0	112.4	E558 I562 G563 L564	E558-W560 VanDerWaalsContact C-N 3.33Å; E558-W560 PolarHBondContact O-N 2.7Å; E558-W560 PolarHBondContact OE1-N 2.78Å; E558-W560 WeakPolarHBondContact OE2-CA 3.31Å; E558-W560 VanDerWaalsContact OE2-CB 3.26Å; E558-W560 WeakPolarHBondContact OE2-CB 3.15Å; E558-W560 PolarHBondContact OE2-N 2.97Å; W560-I562 VanDerWaalsContact C-N 3.31Å; W560-I562 PolarHBondContact O-N 3.49Å; W560-G563 PolarHBondContact O-N 2.98Å; W560-L564 HydrophobicContact CB-CD1 4.49Å; W560-L564 VanDerWaalsContact O-CB 3.29Å; W560-L564 WeakPolarHBondContact O-CB 3.24Å; W560-L564 VanDerWaalsContact O-CG 3.27Å; W560-L564 WeakPolarHBondContact O-CG 3.43Å; W560-L564 PolarHBondContact O-N 3.46Å
561	C	90.5	Very high	90.8	Very high	1 Å²	1	45 Å²	45	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-40.7	174	-61.1	0	0	0	0	111.2	E558 Y565 Y654	E558-C561 WeakPolarHBondContact O-CA 3.48Å; E558-C561 WeakPolarHBondContact O-CB 3.49Å; E558-C561 PolarHBondContact O-N 3.44Å; E558-C561 PolarHBondContact OE2-N 3.47Å; C561-Y565 PolarHBondContact O-N 3.46Å; C561-Y565 VanDerWaalsContact O-N 3.14Å; C561-Y654 HydrophobicContact CB-CD2 4.35Å; C561-Y654 HydrophobicContact CB-CE2 3.88Å; C561-Y654 PolarHBondContact O-OH 2.94Å
562	I	89.8	Confident	91.2	Very high	24 Å²	24	43.6 Å²	43.6	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-60.4	-46.8	173.4	-66.8	176.3	0	0	0	110.9	Y539 I555 F557 E558 W560	Y539-I562 HydrophobicContact CE1-CG2 3.98Å; Y539-I562 PolarHBondContact OH-O 3.47Å; I555-I562 HydrophobicContact CB-CD1 4.24Å; I555-I562 HydrophobicContact CD1-CD1 4.3Å; I555-I562 HydrophobicContact CG2-CD1 4.17Å; F557-I562 HydrophobicContact CB-CD1 4.17Å; F557-I562 HydrophobicContact CB-CG1 3.75Å; F557-I562 HydrophobicContact CD2-CG1 4.49Å; E558-I562 PolarHBondContact O-N 2.99Å; W560-I562 VanDerWaalsContact C-N 3.31Å; W560-I562 PolarHBondContact O-N 3.49Å
563	G	88.1	Confident	91.6	Very high	46 Å²	46	40 Å²	40	47%	0.474	21%	0.207	S	C	.	.	H	α-helix	trans	-70.7	-36.5	-177.9	0	0	0	0	0	114.4	R559 W560	R559-G563 PolarHBondContact O-N 3.46Å; W560-G563 PolarHBondContact O-N 2.98Å
564	L	92.8	Very high	92.2	Very high	42 Å²	42	39.2 Å²	39.2	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-86.5	-14.3	-176.2	-66.4	175.4	0	0	0	113.6	W560 N566 V567 L568 F569 F690	W560-L564 HydrophobicContact CB-CD1 4.49Å; W560-L564 VanDerWaalsContact O-CB 3.29Å; W560-L564 WeakPolarHBondContact O-CB 3.24Å; W560-L564 VanDerWaalsContact O-CG 3.27Å; W560-L564 WeakPolarHBondContact O-CG 3.43Å; W560-L564 PolarHBondContact O-N 3.46Å; L564-N566 PolarHBondContact O-N 2.94Å; L564-V567 PolarHBondContact O-N 2.91Å; L564-L568 HydrophobicContact CB-CB 4.34Å; L564-L568 WeakPolarHBondContact O-CB 3.29Å; L564-L568 PolarHBondContact O-N 3.16Å; L564-F569 HydrophobicContact CB-CD2 4.19Å; L564-F569 HydrophobicContact CB-CE2 3.52Å; L564-F569 HydrophobicContact CB-CZ 3.88Å; L564-F569 HydrophobicContact CD1-CE2 4.49Å; L564-F569 HydrophobicContact CD1-CZ 4.14Å; L564-F569 PolarHBondContact O-N 2.82Å; L564-F690 HydrophobicContact CD1-CE1 4.42Å; L564-F690 HydrophobicContact CD1-CE2 3.66Å; L564-F690 HydrophobicContact CD1-CZ 3.59Å
565	Y	93.9	Very high	92.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-50.9	-53.1	-179	179.8	-111.8	0	0	0	113.2	K534 L538 C561 T570 Y654 V657 V658	K534-Y565 HydrophobicContact CG-CE1 4.48Å; K534-Y565 PolarHBondContact O-OH 3.4Å; K534-Y565 VanDerWaalsContact O-OH 3.07Å; L538-Y565 HydrophobicContact CB-CD1 4.39Å; L538-Y565 HydrophobicContact CB-CE1 3.93Å; L538-Y565 HydrophobicContact CB-CE2 4.46Å; L538-Y565 HydrophobicContact CD2-CD1 3.44Å; L538-Y565 VanDerWaalsContact CD2-CD1 3.44Å; L538-Y565 HydrophobicContact CD2-CD2 3.67Å; L538-Y565 HydrophobicContact CD2-CE1 3.83Å; L538-Y565 HydrophobicContact CD2-CE2 4.02Å; L538-Y565 HydrophobicContact CD2-CG 3.35Å; L538-Y565 HydrophobicContact CG-CE1 4.5Å; C561-Y565 PolarHBondContact O-N 3.46Å; C561-Y565 VanDerWaalsContact O-N 3.14Å; Y565-T570 HydrophobicContact CD2-CG2 3.93Å; Y565-T570 HydrophobicContact CE1-CG2 4.45Å; Y565-T570 HydrophobicContact CE2-CG2 3.44Å; Y565-T570 VanDerWaalsContact CE2-CG2 3.44Å; Y565-T570 PolarHBondContact O-N 3.44Å; Y565-T570 PolarHBondContact O-OG1 2.96Å; Y565-Y654 WeakPolarHBondContact CA-OH 3.44Å; Y565-Y654 VanDerWaalsContact CB-OH 3.29Å; Y565-Y654 WeakPolarHBondContact CB-OH 3.35Å; Y565-Y654 HydrophobicContact CD2-CE2 4.21Å; Y565-Y654 AromaticContact CD2-CZ 3.84Å; Y565-Y654 WeakPolarHBondContact CD2-OH 3.33Å; Y565-V657 HydrophobicContact CE2-CG1 4.15Å; Y565-V658 HydrophobicContact CD2-CG2 4.48Å; Y565-V658 HydrophobicContact CE2-CG2 4.29Å
566	N	91.8	Very high	92.7	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.048	19%	0.188	C	C	.	.	I	π-helix	trans	-80.2	-25.4	-173.8	-84.6	-35.9	0	0	0	114	K534 N535 Y539 L564	K534-N566 PolarHBondContact NZ-OD1 2.98Å; N535-N566 PolarHBondContact ND2-OD1 3.35Å; N535-N566 VanDerWaalsContact ND2-OD1 3.09Å; N535-N566 PolarHBondContact OD1-ND2 2.83Å; N535-N566 PolarHBondContact OD1-OD1 3.12Å; N535-N566 VanDerWaalsContact OD1-OD1 3.13Å; Y539-N566 PolarHBondContact OH-ND2 3.03Å; L564-N566 PolarHBondContact O-N 2.94Å
567	V	90.6	Very high	92.8	Very high	102 Å²	102	36.5 Å²	36.5	62%	0.618	19%	0.188	S	C	*	.	I	π-helix	trans	-98.8	-31.8	-170.6	-178.9	0	0	0	0	111.8	L564 A571	L564-V567 PolarHBondContact O-N 2.91Å; V567-A571 WeakPolarHBondContact O-CB 3.31Å
568	L	92.9	Very high	92.9	Very high	65 Å²	65	36.4 Å²	36.4	34%	0.34	19%	0.187	S	C	.	.	I	π-helix	trans	-117.5	-63	-173.3	-168.5	62.7	0	0	0	111.4	L564 T570 L686	L564-L568 HydrophobicContact CB-CB 4.34Å; L564-L568 WeakPolarHBondContact O-CB 3.29Å; L564-L568 PolarHBondContact O-N 3.16Å; L568-T570 PolarHBondContact O-N 3.04Å; L568-L686 HydrophobicContact CD1-CD2 3.77Å; L568-L686 HydrophobicContact CG-CD2 3.76Å; L568-L686 HydrophobicContact CG-CG 4.42Å
569	F	94.6	Very high	93.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-75.4	-29.9	-167.3	-49.4	-49.8	0	0	0	113.6	L564 Y654 S683 L686 W687 F690	L564-F569 HydrophobicContact CB-CD2 4.19Å; L564-F569 HydrophobicContact CB-CE2 3.52Å; L564-F569 HydrophobicContact CB-CZ 3.88Å; L564-F569 HydrophobicContact CD1-CE2 4.49Å; L564-F569 HydrophobicContact CD1-CZ 4.14Å; L564-F569 PolarHBondContact O-N 2.82Å; F569-Y654 HydrophobicContact CD2-CE1 4.07Å; F569-Y654 WeakPolarHBondContact CD2-OH 3.47Å; F569-Y654 HydrophobicContact CE2-CE1 4.44Å; F569-S683 WeakPolarHBondContact O-CB 3.43Å; F569-S683 PolarHBondContact O-OG 3.44Å; F569-L686 HydrophobicContact CD1-CG 4.36Å; F569-W687 HydrophobicContact CD1-CB 4.21Å; F569-W687 HydrophobicContact CD1-CE3 4.36Å; F569-W687 AromaticContact CD2-CE3 3.98Å; F569-W687 HydrophobicContact CD2-CE3 3.98Å; F569-W687 HydrophobicContact CD2-CZ3 4.49Å; F569-W687 HydrophobicContact CE1-CE3 4.19Å; F569-W687 AromaticContact CE2-CE3 3.76Å; F569-W687 HydrophobicContact CE2-CE3 3.76Å; F569-W687 AromaticContact CE2-CZ3 3.97Å; F569-W687 HydrophobicContact CE2-CZ3 3.97Å; F569-W687 HydrophobicContact CG-CB 4.43Å; F569-W687 HydrophobicContact CG-CE3 4.28Å; F569-W687 AromaticContact CZ-CE3 3.9Å; F569-W687 HydrophobicContact CZ-CE3 3.9Å; F569-W687 HydrophobicContact CZ-CZ3 4.25Å; F569-F690 HydrophobicContact CE1-CB 3.73Å; F569-F690 AromaticContact CE1-CD1 3.92Å; F569-F690 HydrophobicContact CE1-CD1 3.92Å; F569-F690 HydrophobicContact CE1-CD2 4.28Å; F569-F690 AromaticContact CE1-CG 3.7Å; F569-F690 HydrophobicContact CE1-CG 3.7Å; F569-F690 HydrophobicContact CE2-CD1 4.26Å; F569-F690 HydrophobicContact CE2-CE1 4.37Å; F569-F690 HydrophobicContact CZ-CB 4.08Å; F569-F690 AromaticContact CZ-CD1 3.34Å; F569-F690 HydrophobicContact CZ-CD1 3.34Å; F569-F690 HydrophobicContact CZ-CD2 4.04Å; F569-F690 AromaticContact CZ-CE1 3.7Å; F569-F690 HydrophobicContact CZ-CE1 3.7Å; F569-F690 HydrophobicContact CZ-CE2 4.35Å; F569-F690 AromaticContact CZ-CG 3.53Å; F569-F690 HydrophobicContact CZ-CG 3.53Å; F569-F690 HydrophobicContact CZ-CZ 4.19Å
570	T	95.1	Very high	93.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	20.2	-179.1	66.9	0	0	0	0	114	K534 Y565 L568 P574 V661	K534-T570 PolarHBondContact NZ-OG1 3.21Å; Y565-T570 HydrophobicContact CD2-CG2 3.93Å; Y565-T570 HydrophobicContact CE1-CG2 4.45Å; Y565-T570 HydrophobicContact CE2-CG2 3.44Å; Y565-T570 VanDerWaalsContact CE2-CG2 3.44Å; Y565-T570 PolarHBondContact O-N 3.44Å; Y565-T570 PolarHBondContact O-OG1 2.96Å; L568-T570 PolarHBondContact O-N 3.04Å; T570-P574 WeakPolarHBondContact O-CD 3.49Å; T570-V661 HydrophobicContact CG2-CG2 3.79Å
571	A	94.3	Very high	93.6	Very high	19 Å²	19	24.4 Å²	24.4	16%	0.157	14%	0.144	C	C	.	.	S	Bend	trans	-80.9	-34.2	-178.8	0	0	0	0	0	113.6	V567 P574 L575	V567-A571 WeakPolarHBondContact O-CB 3.31Å; A571-P574 VanDerWaalsContact O-CD 3.27Å; A571-P574 WeakPolarHBondContact O-CD 3.45Å; A571-P574 VanDerWaalsContact O-CG 3.3Å; A571-P574 WeakPolarHBondContact O-CG 3.24Å; A571-L575 WeakPolarHBondContact O-CG 3.35Å
572	L	95.6	Very high	93.5	Very high	71 Å²	71	30.5 Å²	30.5	37%	0.372	17%	0.167	S	C	.	.	H	α-helix	trans	-73.1	-42	-176.5	-60.4	177.6	0	0	0	114.6	L575 T576 A679	L572-L575 HydrophobicContact CD2-CD1 4.38Å; L572-L575 WeakPolarHBondContact O-CB 3.37Å; L572-L575 PolarHBondContact O-N 2.85Å; L572-T576 PolarHBondContact O-N 2.67Å; L572-A679 HydrophobicContact CB-CB 3.7Å
573	P	95.9	Very high	93	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.2	-49	179.3	-25.9	35	0	0	0	115	Y530 L575 T576 L577 A665 S683	Y530-P573 HydrophobicContact CE1-CB 4.09Å; P573-L575 VanDerWaalsContact C-N 3.29Å; P573-L575 PolarHBondContact O-N 2.94Å; P573-T576 PolarHBondContact O-N 2.97Å; P573-T576 PolarHBondContact O-OG1 3.34Å; P573-L577 PolarHBondContact O-N 3.44Å; P573-L577 VanDerWaalsContact O-N 3.07Å; P573-A665 HydrophobicContact CB-CB 3.71Å; P573-S683 WeakPolarHBondContact CD-OG 3.44Å
574	P	96.1	Very high	92.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-34.4	178.1	22.6	-28.3	0	0	0	112.5	T46 Y530 T570 A571 L577 G578	T46-P574 HydrophobicContact CG2-CB 4.21Å; T46-P574 HydrophobicContact CG2-CG 4.38Å; Y530-P574 HydrophobicContact CD1-CB 3.94Å; Y530-P574 HydrophobicContact CD1-CG 4.45Å; Y530-P574 HydrophobicContact CE1-CB 4.3Å; Y530-P574 HydrophobicContact CE1-CG 4.36Å; T570-P574 WeakPolarHBondContact O-CD 3.49Å; A571-P574 VanDerWaalsContact O-CD 3.27Å; A571-P574 WeakPolarHBondContact O-CD 3.45Å; A571-P574 VanDerWaalsContact O-CG 3.3Å; A571-P574 WeakPolarHBondContact O-CG 3.24Å; P574-L577 PolarHBondContact O-N 2.88Å; P574-G578 PolarHBondContact O-N 2.99Å
575	L	96.2	Very high	92.8	Very high	41 Å²	41	32 Å²	32	22%	0.215	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-46.8	174.7	-69.2	172.3	0	0	0	111	T46 V49 I50 A571 L572 P573 L577 G578 I579	T46-L575 HydrophobicContact CG2-CD2 3.89Å; T46-L575 HydrophobicContact CG2-CG 4.36Å; V49-L575 HydrophobicContact CB-CD2 4.28Å; V49-L575 HydrophobicContact CG1-CD2 3.91Å; I50-L575 HydrophobicContact CD1-CD2 4.45Å; I50-L575 HydrophobicContact CG1-CD2 4Å; A571-L575 WeakPolarHBondContact O-CG 3.35Å; L572-L575 HydrophobicContact CD2-CD1 4.38Å; L572-L575 WeakPolarHBondContact O-CB 3.37Å; L572-L575 PolarHBondContact O-N 2.85Å; P573-L575 VanDerWaalsContact C-N 3.29Å; P573-L575 PolarHBondContact O-N 2.94Å; L575-L577 PolarHBondContact O-N 3.38Å; L575-G578 PolarHBondContact O-N 2.91Å; L575-G578 VanDerWaalsContact O-N 3.16Å; L575-I579 HydrophobicContact CB-CD1 4.25Å; L575-I579 WeakPolarHBondContact O-CB 3.36Å; L575-I579 WeakPolarHBondContact O-CD1 3.46Å; L575-I579 WeakPolarHBondContact O-CG1 3.1Å; L575-I579 PolarHBondContact O-N 3.07Å
576	T	95.6	Very high	92.7	Very high	15 Å²	15	34 Å²	34	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-37.4	179.3	59	0	0	0	0	113.3	L572 P573 G578 I579 F580 F675 A679	L572-T576 PolarHBondContact O-N 2.67Å; P573-T576 PolarHBondContact O-N 2.97Å; P573-T576 PolarHBondContact O-OG1 3.34Å; T576-G578 VanDerWaalsContact C-N 3.3Å; T576-G578 PolarHBondContact O-N 3.19Å; T576-I579 PolarHBondContact O-N 3.47Å; T576-F580 HydrophobicContact CG2-CD2 4.31Å; T576-F580 PolarHBondContact O-N 3.18Å; T576-F675 HydrophobicContact CG2-CB 4.42Å; T576-A679 HydrophobicContact CG2-CB 3.39Å
577	L	94.8	Very high	92.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-35.7	172.4	-73.5	173.1	0	0	0	112	Y530 P573 P574 L575 E581 A665 E668 T669	Y530-L577 HydrophobicContact CD1-CD1 4.23Å; Y530-L577 HydrophobicContact CD2-CD1 4.29Å; Y530-L577 HydrophobicContact CG-CD1 3.92Å; P573-L577 PolarHBondContact O-N 3.44Å; P573-L577 VanDerWaalsContact O-N 3.07Å; P574-L577 PolarHBondContact O-N 2.88Å; L575-L577 PolarHBondContact O-N 3.38Å; L577-E581 WeakPolarHBondContact O-CB 3.25Å; L577-A665 HydrophobicContact CD1-CB 4.24Å; L577-E668 HydrophobicContact CD2-CB 4.49Å; L577-T669 WeakPolarHBondContact CD2-OG1 3.25Å
578	G	94.5	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-79	-23	178.1	0	0	0	0	0	115	I50 Q54 R523 P574 L575 T576	I50-G578 WeakPolarHBondContact CG2-O 3.42Å; Q54-G578 PolarHBondContact NE2-O 3.34Å; R523-G578 VanDerWaalsContact CB-O 3.25Å; R523-G578 WeakPolarHBondContact CB-O 3.43Å; R523-G578 WeakPolarHBondContact CD-O 3.31Å; R523-G578 WeakPolarHBondContact CG-O 3.49Å; P574-G578 PolarHBondContact O-N 2.99Å; L575-G578 PolarHBondContact O-N 2.91Å; L575-G578 VanDerWaalsContact O-N 3.16Å; T576-G578 VanDerWaalsContact C-N 3.3Å; T576-G578 PolarHBondContact O-N 3.19Å
579	I	95.6	Very high	92.5	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-106.1	-49	-172.2	-64.2	164.2	0	0	0	111.5	I50 I53 F57 R523 L575 T576	I50-I579 HydrophobicContact CG1-CG1 4.16Å; I53-I579 HydrophobicContact CB-CD1 4.46Å; I53-I579 HydrophobicContact CB-CG1 4.41Å; I53-I579 HydrophobicContact CD1-CD1 3.54Å; I53-I579 HydrophobicContact CD1-CG1 4.37Å; I53-I579 HydrophobicContact CG2-CD1 4.39Å; I53-I579 HydrophobicContact CG2-CG1 4.29Å; I53-I579 HydrophobicContact CG2-CG2 3.71Å; F57-I579 HydrophobicContact CE2-CG2 3.52Å; F57-I579 HydrophobicContact CZ-CG2 3.73Å; R523-I579 VanDerWaalsContact CZ-O 3.31Å; R523-I579 PolarHBondContact NE-O 3.14Å; L575-I579 HydrophobicContact CB-CD1 4.25Å; L575-I579 WeakPolarHBondContact O-CB 3.36Å; L575-I579 WeakPolarHBondContact O-CD1 3.46Å; L575-I579 WeakPolarHBondContact O-CG1 3.1Å; L575-I579 PolarHBondContact O-N 3.07Å; T576-I579 PolarHBondContact O-N 3.47Å
580	F	94.9	Very high	92.3	Very high	60 Å²	60	34.5 Å²	34.5	26%	0.263	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-5.1	-165.7	-61.4	-66.4	0	0	0	114.4	F57 T576 S671 T673 F675	F57-F580 HydrophobicContact CZ-CD1 4.49Å; F57-F580 AromaticContact CZ-CE1 3.97Å; F57-F580 HydrophobicContact CZ-CE1 3.97Å; T576-F580 HydrophobicContact CG2-CD2 4.31Å; T576-F580 PolarHBondContact O-N 3.18Å; F580-S671 PolarHBondContact O-OG 3.1Å; F580-T673 HydrophobicContact CB-CG2 4.46Å; F580-F675 HydrophobicContact CD1-CD2 4.2Å; F580-F675 HydrophobicContact CD2-CB 3.78Å; F580-F675 HydrophobicContact CD2-CD2 4.25Å; F580-F675 HydrophobicContact CD2-CG 4.24Å; F580-F675 AromaticContact CE1-CD2 3.8Å; F580-F675 HydrophobicContact CE1-CD2 3.8Å; F580-F675 HydrophobicContact CE1-CE2 4.07Å; F580-F675 HydrophobicContact CE1-CG 4.48Å; F580-F675 HydrophobicContact CE2-CB 3.64Å; F580-F675 HydrophobicContact CE2-CD1 4.44Å; F580-F675 AromaticContact CE2-CD2 3.86Å; F580-F675 HydrophobicContact CE2-CD2 3.86Å; F580-F675 AromaticContact CE2-CG 3.73Å; F580-F675 HydrophobicContact CE2-CG 3.73Å; F580-F675 HydrophobicContact CG-CD2 4.4Å; F580-F675 HydrophobicContact CZ-CB 4.28Å; F580-F675 HydrophobicContact CZ-CD1 4.46Å; F580-F675 AromaticContact CZ-CD2 3.61Å; F580-F675 HydrophobicContact CZ-CD2 3.61Å; F580-F675 HydrophobicContact CZ-CE2 4.02Å; F580-F675 AromaticContact CZ-CG 3.86Å; F580-F675 HydrophobicContact CZ-CG 3.86Å
581	E	92.8	Very high	91.9	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	18%	0.182	C	C	.	.			trans	-66.4	137.8	180	-175.5	65.6	-175.7	0	0	111.1	R523 K526 L577 T669 S670	R523-E581 HydrophobicContact CG-CB 4.04Å; R523-E581 PolarHBondContact NE-O 3.3Å; R523-E581 PolarHBondContact NH2-O 3.5Å; K526-E581 HydrophobicContact CD-CG 4.05Å; K526-E581 IonicContact NZ-OE1 2.78Å; K526-E581 PolarHBondContact NZ-OE1 3.11Å; L577-E581 WeakPolarHBondContact O-CB 3.25Å; E581-T669 WeakPolarHBondContact OE2-CA 3.41Å; E581-S670 WeakPolarHBondContact OE1-CA 3.35Å; E581-S670 WeakPolarHBondContact OE1-CB 3.33Å; E581-S670 PolarHBondContact OE1-N 3.44Å; E581-S670 PolarHBondContact OE1-OG 2.81Å; E581-S670 PolarHBondContact OE2-N 3.39Å; E581-S670 VanDerWaalsContact OE2-N 3.14Å
582	R	86.9	Confident	91.8	Very high	130 Å²	130	39.2 Å²	39.2	49%	0.491	18%	0.177	S	C	.	.			trans	-138.7	139	171.5	53.9	176.3	-177.9	-165.1	0.3	110.2	S671	R582-S671 VanDerWaalsContact CG-CB 3.48Å; R582-S671 VanDerWaalsContact CG-OG 3.28Å; R582-S671 WeakPolarHBondContact CG-OG 3.5Å; R582-S671 PolarHBondContact N-OG 3.1Å
583	S	79.6	Confident	91.6	Very high	19 Å²	19	36.4 Å²	36.4	13%	0.133	16%	0.163	C	C	.	.	S	Bend	trans	-80.6	-66	173.4	48.1	0	0	0	0	110.8	Q754	S583-Q754 WeakPolarHBondContact O-CG 3.48Å; S583-Q754 PolarHBondContact O-NE2 3.15Å
584	C	87.1	Confident	91.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	18%	0.176	C	C	.	.	S	Bend	trans	-117.2	164.7	178.7	-55.8	0	0	0	0	111	W519 M589 E757	W519-C584 PolarHBondContact NE1-O 2.94Å; C584-M589 HydrophobicContact CB-CG 4.15Å; C584-M589 HydrophobicContact CB-SD 3.83Å; C584-E757 WeakPolarHBondContact CB-OE1 3.39Å
585	R	89.9	Confident	90.9	Very high	124 Å²	124	39.1 Å²	39.1	47%	0.468	18%	0.176	S	C	.	.			trans	-67.6	154.5	174.5	-67.3	-176.9	-175.2	-178.9	3.6	112.1	E587 N588 M589 E757	R585-E587 VanDerWaalsContact C-N 3.29Å; R585-E587 WeakPolarHBondContact CB-OE2 3.3Å; R585-E587 PolarHBondContact O-N 3.48Å; R585-N588 PolarHBondContact O-N 2.88Å; R585-M589 WeakPolarHBondContact O-CG 3.35Å; R585-M589 PolarHBondContact O-N 2.97Å; R585-M589 VanDerWaalsContact O-N 3.09Å; R585-E757 PolarHBondContact N-OE1 2.85Å; R585-E757 PolarHBondContact N-OE2 2.99Å
586	K	91.9	Very high	90.7	Very high	40 Å²	40	37.2 Å²	37.2	17%	0.174	17%	0.166	C	C	.	.	H	α-helix	trans	-56	-44.7	-177.9	-174.6	175.6	-169.5	171.2	0	111.3	D61 D63 V515 W519 N588 M589 L590	D61-K586 IonicContact OD1-NZ 2.73Å; D61-K586 PolarHBondContact OD1-NZ 3.41Å; D61-K586 IonicContact OD2-NZ 3.69Å; D61-K586 PolarHBondContact OD2-NZ 2.91Å; D63-K586 VanDerWaalsContact CG-NZ 3.34Å; D63-K586 WeakPolarHBondContact OD2-CE 3.35Å; D63-K586 IonicContact OD2-NZ 2.74Å; D63-K586 PolarHBondContact OD2-NZ 3.2Å; V515-K586 HydrophobicContact CG1-CD 4.48Å; V515-K586 HydrophobicContact CG1-CG 4.01Å; V515-K586 HydrophobicContact CG2-CG 3.94Å; W519-K586 HydrophobicContact CH2-CB 4.02Å; W519-K586 HydrophobicContact CZ2-CB 4.27Å; K586-N588 VanDerWaalsContact C-N 3.32Å; K586-N588 PolarHBondContact O-N 3.49Å; K586-M589 PolarHBondContact O-N 3.36Å; K586-L590 HydrophobicContact CG-CD1 4.18Å; K586-L590 WeakPolarHBondContact O-CG 3.26Å; K586-L590 PolarHBondContact O-N 2.77Å; K586-L590 VanDerWaalsContact O-N 3.11Å
587	E	90.3	Very high	90.4	Very high	126 Å²	126	39.8 Å²	39.8	59%	0.589	18%	0.175	S	C	*	.	H	α-helix	trans	-62.5	-41.3	-176.2	-56.4	76.1	-161.3	0	0	111.2	R585 L590 K591	R585-E587 VanDerWaalsContact C-N 3.29Å; R585-E587 WeakPolarHBondContact CB-OE2 3.3Å; R585-E587 PolarHBondContact O-N 3.48Å; E587-L590 PolarHBondContact O-N 3.14Å; E587-K591 VanDerWaalsContact O-CB 3.29Å; E587-K591 WeakPolarHBondContact O-CB 3.37Å; E587-K591 PolarHBondContact O-N 3.44Å
588	N	90	Very high	89.8	Confident	21 Å²	21	41.2 Å²	41.2	11%	0.112	19%	0.185	C	C	.	.	H	α-helix	trans	-74.1	-34.9	179.6	-77.8	-15.8	0	0	0	112.9	R585 K586 L590 K591 Y592 V753 E757	R585-N588 PolarHBondContact O-N 2.88Å; K586-N588 VanDerWaalsContact C-N 3.32Å; K586-N588 PolarHBondContact O-N 3.49Å; N588-L590 PolarHBondContact O-N 3.45Å; N588-K591 PolarHBondContact O-N 2.87Å; N588-Y592 HydrophobicContact CB-CD2 4.36Å; N588-Y592 PolarHBondContact O-N 2.77Å; N588-V753 HydrophobicContact CB-CG1 4.36Å; N588-E757 WeakPolarHBondContact CB-OE1 3.45Å; N588-E757 VanDerWaalsContact ND2-CD 3.32Å; N588-E757 WeakPolarHBondContact ND2-CG 3.33Å; N588-E757 PolarHBondContact ND2-OE1 3.19Å
589	M	90	Very high	89.2	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.034	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-36.6	171.9	-66.7	-62.6	-66.5	0	0	111.6	L514 V515 A518 C584 R585 K586 L595	L514-M589 WeakPolarHBondContact O-CE 3.21Å; V515-M589 HydrophobicContact CG2-CB 4.41Å; A518-M589 HydrophobicContact CB-CE 3.48Å; A518-M589 VanDerWaalsContact CB-CE 3.48Å; C584-M589 HydrophobicContact CB-CG 4.15Å; C584-M589 HydrophobicContact CB-SD 3.83Å; R585-M589 WeakPolarHBondContact O-CG 3.35Å; R585-M589 PolarHBondContact O-N 2.97Å; R585-M589 VanDerWaalsContact O-N 3.09Å; K586-M589 PolarHBondContact O-N 3.36Å; M589-L595 HydrophobicContact CE-CB 4.38Å; M589-L595 HydrophobicContact SD-CB 4.07Å; M589-L595 HydrophobicContact SD-CD1 3.91Å
590	L	90.5	Very high	88.5	Confident	33 Å²	33	41.9 Å²	41.9	17%	0.173	19%	0.188	C	C	.	.	H	α-helix	trans	-80.7	-29.1	178.1	-65.4	174.1	0	0	0	113.7	K510 N511 V515 K586 E587 N588	K510-L590 HydrophobicContact CD-CD2 4.07Å; K510-L590 VanDerWaalsContact CE-O 3.31Å; K510-L590 WeakPolarHBondContact CE-O 3.42Å; K510-L590 HydrophobicContact CG-CD2 3.75Å; K510-L590 PolarHBondContact NZ-O 3.1Å; N511-L590 VanDerWaalsContact OD1-CD2 3.26Å; N511-L590 WeakPolarHBondContact OD1-CD2 3.47Å; V515-L590 HydrophobicContact CG2-CD1 4.42Å; V515-L590 HydrophobicContact CG2-CD2 3.71Å; V515-L590 HydrophobicContact CG2-CG 3.88Å; K586-L590 HydrophobicContact CG-CD1 4.18Å; K586-L590 WeakPolarHBondContact O-CG 3.26Å; K586-L590 PolarHBondContact O-N 2.77Å; K586-L590 VanDerWaalsContact O-N 3.11Å; E587-L590 PolarHBondContact O-N 3.14Å; N588-L590 PolarHBondContact O-N 3.45Å
591	K	88.6	Confident	87.7	Confident	107 Å²	107	43.7 Å²	43.7	47%	0.465	20%	0.201	S	C	.	.	H	α-helix	trans	-79.9	-34.9	178.5	-172.6	175.8	179.8	-175.9	0	112.5	E587 N588 P593 D762	E587-K591 VanDerWaalsContact O-CB 3.29Å; E587-K591 WeakPolarHBondContact O-CB 3.37Å; E587-K591 PolarHBondContact O-N 3.44Å; N588-K591 PolarHBondContact O-N 2.87Å; K591-P593 WeakPolarHBondContact O-CD 3.43Å; K591-D762 IonicContact NZ-OD1 2.78Å; K591-D762 PolarHBondContact NZ-OD1 3.33Å; K591-D762 IonicContact NZ-OD2 2.62Å; K591-D762 PolarHBondContact NZ-OD2 3.25Å
592	Y	90.4	Very high	86.8	Confident	12 Å²	12	44.9 Å²	44.9	5%	0.047	21%	0.212	C	C	.	.			trans	-121.3	82.4	-178.1	-54.7	-64.9	0	0	0	111.2	N588 E594 L595 D762 P763 G764 V767	N588-Y592 HydrophobicContact CB-CD2 4.36Å; N588-Y592 PolarHBondContact O-N 2.77Å; Y592-E594 PolarHBondContact O-N 2.95Å; Y592-E594 VanDerWaalsContact O-N 3.09Å; Y592-L595 WeakPolarHBondContact O-CB 3.25Å; Y592-L595 WeakPolarHBondContact O-CG 3.44Å; Y592-L595 PolarHBondContact O-N 3.28Å; Y592-L595 VanDerWaalsContact O-N 3.16Å; Y592-D762 PolarHBondContact OH-OD1 3.44Å; Y592-P763 HydrophobicContact CD2-CB 4.39Å; Y592-P763 HydrophobicContact CE2-CB 3.73Å; Y592-P763 HydrophobicContact CE2-CG 3.93Å; Y592-G764 WeakPolarHBondContact OH-CA 3.49Å; Y592-G764 PolarHBondContact OH-N 3.15Å; Y592-V767 HydrophobicContact CD1-CB 3.72Å; Y592-V767 HydrophobicContact CD1-CG1 3.66Å; Y592-V767 HydrophobicContact CD1-CG2 3.73Å; Y592-V767 HydrophobicContact CD2-CG2 4.32Å; Y592-V767 HydrophobicContact CE1-CB 4.05Å; Y592-V767 HydrophobicContact CE1-CG1 4.42Å; Y592-V767 HydrophobicContact CE1-CG2 4.12Å; Y592-V767 HydrophobicContact CG-CB 4.32Å; Y592-V767 HydrophobicContact CG-CG1 4.22Å; Y592-V767 HydrophobicContact CG-CG2 3.84Å
593	P	91.3	Very high	86.1	Confident	12 Å²	12	43.7 Å²	43.7	8%	0.078	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.6	-19.8	-175.5	-22.4	35.5	0	0	0	113.7	T342 K345 A346 L514 K591 L595 Y596	T342-P593 HydrophobicContact CG2-CB 3.95Å; T342-P593 HydrophobicContact CG2-CG 3.33Å; T342-P593 VanDerWaalsContact O-CB 3.3Å; T342-P593 WeakPolarHBondContact O-CB 3.38Å; K345-P593 HydrophobicContact CB-CB 4.2Å; K345-P593 HydrophobicContact CB-CG 4.3Å; A346-P593 HydrophobicContact CB-CB 3.82Å; A346-P593 WeakPolarHBondContact CB-O 3.38Å; L514-P593 HydrophobicContact CD1-CB 4.09Å; L514-P593 HydrophobicContact CD1-CG 4.43Å; K591-P593 WeakPolarHBondContact O-CD 3.43Å; P593-L595 PolarHBondContact O-N 3.48Å; P593-L595 VanDerWaalsContact O-N 3.15Å; P593-Y596 WeakPolarHBondContact O-CB 3.45Å; P593-Y596 PolarHBondContact O-N 3.09Å
594	E	89.2	Confident	85.7	Confident	57 Å²	57	44.4 Å²	44.4	27%	0.266	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-60.5	-22.3	176.9	-59.3	-174.5	173.6	0	0	113.5	Y592 Y596 K597 L749	Y592-E594 PolarHBondContact O-N 2.95Å; Y592-E594 VanDerWaalsContact O-N 3.09Å; E594-Y596 PolarHBondContact O-N 2.84Å; E594-K597 WeakPolarHBondContact O-CB 3.4Å; E594-K597 WeakPolarHBondContact O-CG 3.38Å; E594-K597 PolarHBondContact O-N 3.21Å; E594-K597 VanDerWaalsContact O-N 3.14Å; E594-L749 HydrophobicContact CB-CD2 4.23Å
595	L	89.6	Confident	85.6	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.8	174.5	-68.7	170.1	0	0	0	111.9	M589 Y592 P593 K597 T598 L749 V750 V753	M589-L595 HydrophobicContact CE-CB 4.38Å; M589-L595 HydrophobicContact SD-CB 4.07Å; M589-L595 HydrophobicContact SD-CD1 3.91Å; Y592-L595 WeakPolarHBondContact O-CB 3.25Å; Y592-L595 WeakPolarHBondContact O-CG 3.44Å; Y592-L595 PolarHBondContact O-N 3.28Å; Y592-L595 VanDerWaalsContact O-N 3.16Å; P593-L595 PolarHBondContact O-N 3.48Å; P593-L595 VanDerWaalsContact O-N 3.15Å; L595-K597 PolarHBondContact O-N 2.99Å; L595-T598 PolarHBondContact O-N 3.02Å; L595-T598 PolarHBondContact O-OG1 3.08Å; L595-L749 HydrophobicContact CD2-CD2 3.84Å; L595-L749 HydrophobicContact CD2-CG 4.02Å; L595-L749 HydrophobicContact CG-CD2 4.43Å; L595-V750 HydrophobicContact CD2-CG2 3.95Å; L595-V753 HydrophobicContact CD1-CG1 4.31Å; L595-V753 HydrophobicContact CD2-CB 4.4Å; L595-V753 HydrophobicContact CD2-CG2 4.02Å
596	Y	91.9	Very high	85.6	Confident	1 Å²	1	45 Å²	45	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-28.2	178.5	-170.5	-108.2	0	0	0	113.2	L84 G85 Q86 V87 A346 I348 L513 L514 A518 P593 E594 T598 S599 Q600	L84-Y596 PolarHBondContact O-OH 3.36Å; G85-Y596 VanDerWaalsContact C-OH 3.26Å; Q86-Y596 PolarHBondContact N-OH 2.99Å; V87-Y596 PolarHBondContact N-OH 3.39Å; V87-Y596 VanDerWaalsContact N-OH 3.16Å; A346-Y596 HydrophobicContact CB-CD1 4.1Å; A346-Y596 HydrophobicContact CB-CG 4.44Å; I348-Y596 HydrophobicContact CD1-CD1 4.09Å; I348-Y596 HydrophobicContact CD1-CE1 3.73Å; I348-Y596 HydrophobicContact CG1-CD1 4.37Å; I348-Y596 HydrophobicContact CG1-CE1 4.08Å; L513-Y596 HydrophobicContact CB-CE2 4.45Å; L513-Y596 VanDerWaalsContact O-CE2 3.32Å; L513-Y596 WeakPolarHBondContact O-CE2 3.45Å; L514-Y596 HydrophobicContact CD2-CD1 4.22Å; L514-Y596 HydrophobicContact CD2-CD2 3.84Å; L514-Y596 HydrophobicContact CD2-CG 3.68Å; A518-Y596 HydrophobicContact CB-CD2 4.07Å; A518-Y596 HydrophobicContact CB-CE2 4.45Å; P593-Y596 WeakPolarHBondContact O-CB 3.45Å; P593-Y596 PolarHBondContact O-N 3.09Å; E594-Y596 PolarHBondContact O-N 2.84Å; Y596-T598 PolarHBondContact O-N 3.26Å; Y596-T598 VanDerWaalsContact O-N 3.1Å; Y596-S599 PolarHBondContact O-N 3.45Å; Y596-Q600 HydrophobicContact CD1-CG 3.45Å; Y596-Q600 VanDerWaalsContact CD1-CG 3.45Å; Y596-Q600 HydrophobicContact CE1-CG 3.32Å; Y596-Q600 HydrophobicContact CG-CG 4.37Å; Y596-Q600 PolarHBondContact O-N 3.33Å
597	K	87.8	Confident	85.5	Confident	68 Å²	68	48.1 Å²	48.1	30%	0.296	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-28.1	178.6	-58.5	-177.8	-167.6	-169.6	0	112.5	K345 D347 E594 L595 Q600 N601	K345-K597 VanDerWaalsContact O-CE 3.24Å; K345-K597 WeakPolarHBondContact O-CE 3.29Å; D347-K597 HydrophobicContact CB-CD 4.08Å; D347-K597 HydrophobicContact CB-CG 4.06Å; E594-K597 WeakPolarHBondContact O-CB 3.4Å; E594-K597 WeakPolarHBondContact O-CG 3.38Å; E594-K597 PolarHBondContact O-N 3.21Å; E594-K597 VanDerWaalsContact O-N 3.14Å; L595-K597 PolarHBondContact O-N 2.99Å; K597-Q600 PolarHBondContact O-N 3.26Å; K597-N601 WeakPolarHBondContact O-CB 3.36Å; K597-N601 VanDerWaalsContact O-CG 3.29Å; K597-N601 PolarHBondContact O-N 3.11Å; K597-N601 VanDerWaalsContact O-N 3.09Å; K597-N601 PolarHBondContact O-ND2 2.58Å
598	T	82.9	Confident	85.6	Confident	32 Å²	32	50.6 Å²	50.6	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-39.1	178.9	63.5	0	0	0	0	112.4	L595 Y596 M603 V750	L595-T598 PolarHBondContact O-N 3.02Å; L595-T598 PolarHBondContact O-OG1 3.08Å; Y596-T598 PolarHBondContact O-N 3.26Å; Y596-T598 VanDerWaalsContact O-N 3.1Å; T598-M603 HydrophobicContact CG2-CE 3.82Å; T598-V750 HydrophobicContact CG2-CG2 3.91Å
599	S	81.4	Confident	85.6	Confident	11 Å²	11	51.5 Å²	51.5	8%	0.077	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-43	172.6	-57.4	0	0	0	0	111.7	G85 Y596 N601 A602	G85-S599 CarbonylContact O-C 3.45Å; G85-S599 WeakPolarHBondContact O-CB 3.34Å; Y596-S599 PolarHBondContact O-N 3.45Å; S599-N601 VanDerWaalsContact C-N 3.35Å; S599-N601 PolarHBondContact O-N 2.87Å; S599-A602 PolarHBondContact O-N 2.95Å; S599-A602 VanDerWaalsContact O-N 3.14Å
600	Q	80.7	Confident	85.8	Confident	13 Å²	13	53.1 Å²	53.1	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-42	178.8	-73.2	177.4	-22.2	0	0	113.9	G85 V87 K88 A346 I348 Y596 K597 A602	G85-Q600 PolarHBondContact O-N 3.1Å; V87-Q600 PolarHBondContact O-NE2 3.22Å; K88-Q600 HydrophobicContact CD-CB 4.39Å; K88-Q600 HydrophobicContact CD-CG 4.35Å; A346-Q600 PolarHBondContact O-NE2 3.48Å; A346-Q600 PolarHBondContact O-OE1 3.05Å; I348-Q600 VanDerWaalsContact CG1-NE2 3.33Å; Y596-Q600 HydrophobicContact CD1-CG 3.45Å; Y596-Q600 VanDerWaalsContact CD1-CG 3.45Å; Y596-Q600 HydrophobicContact CE1-CG 3.32Å; Y596-Q600 HydrophobicContact CG-CG 4.37Å; Y596-Q600 PolarHBondContact O-N 3.33Å; K597-Q600 PolarHBondContact O-N 3.26Å; Q600-A602 PolarHBondContact O-N 3.36Å
601	N	78	Confident	86	Confident	98 Å²	98	59.2 Å²	59.2	52%	0.524	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	10.5	-177.5	-68.9	-14.8	0	0	0	113.4	K597 S599 M603	K597-N601 WeakPolarHBondContact O-CB 3.36Å; K597-N601 VanDerWaalsContact O-CG 3.29Å; K597-N601 PolarHBondContact O-N 3.11Å; K597-N601 VanDerWaalsContact O-N 3.09Å; K597-N601 PolarHBondContact O-ND2 2.58Å; S599-N601 VanDerWaalsContact C-N 3.35Å; S599-N601 PolarHBondContact O-N 2.87Å; N601-M603 HydrophobicContact CB-CG 4.01Å; N601-M603 PolarHBondContact O-N 2.98Å
602	A	75.6	Confident	86.3	Confident	30 Å²	30	56.9 Å²	56.9	25%	0.248	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	31.3	-177.7	0	0	0	0	0	113.8	Y521 S599 Q600 G604 F605	Y521-A602 WeakPolarHBondContact OH-CA 3.14Å; S599-A602 PolarHBondContact O-N 2.95Å; S599-A602 VanDerWaalsContact O-N 3.14Å; Q600-A602 PolarHBondContact O-N 3.36Å; A602-G604 PolarHBondContact O-N 3.26Å; A602-F605 CarbonylContact O-C 3.59Å; A602-F605 PolarHBondContact O-N 3.43Å; A602-F605 VanDerWaalsContact O-O 3.14Å
603	M	71.3	Confident	86.5	Confident	105 Å²	105	58.3 Å²	58.3	52%	0.517	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.9	-176.9	-68.2	-154.9	-68.5	0	0	112.4	T598 N601	T598-M603 HydrophobicContact CG2-CE 3.82Å; N601-M603 HydrophobicContact CB-CG 4.01Å; N601-M603 PolarHBondContact O-N 2.98Å
604	G	71.4	Confident	86.7	Confident	33 Å²	33	58.2 Å²	58.2	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-25.3	178.6	0	0	0	0	0	114	A602	A602-G604 PolarHBondContact O-N 3.26Å
605	F	85.4	Confident	87	Confident	77 Å²	77	61 Å²	61	34%	0.338	32%	0.32	S	S	.	.	S	Bend	trans	-145.1	104.9	-177.6	-170	-102.9	0	0	0	111.2	Y521 A525 I528 L529 A602	Y521-F605 PolarHBondContact OH-N 3.49Å; Y521-F605 VanDerWaalsContact OH-N 3.09Å; A525-F605 HydrophobicContact CB-CB 3.91Å; I528-F605 HydrophobicContact CB-CE2 4.21Å; I528-F605 HydrophobicContact CG2-CE2 3.66Å; I528-F605 HydrophobicContact CG2-CZ 4.03Å; L529-F605 HydrophobicContact CD2-CD2 4.18Å; L529-F605 HydrophobicContact CD2-CE2 4.2Å; L529-F605 HydrophobicContact CG-CD2 4.21Å; L529-F605 HydrophobicContact CG-CE2 4.47Å; A602-F605 CarbonylContact O-C 3.59Å; A602-F605 PolarHBondContact O-N 3.43Å; A602-F605 VanDerWaalsContact O-O 3.14Å
606	N	88.7	Confident	87.3	Confident	61 Å²	61	62.3 Å²	62.3	33%	0.326	33%	0.327	S	S	.	.			trans	-143.3	168.1	172	64.7	51.5	0	0	0	109.9	K608 V609 F610	N606-K608 PolarHBondContact O-N 3.19Å; N606-K608 WeakPolarHBondContact OD1-CA 3.4Å; N606-K608 WeakPolarHBondContact OD1-CB 3.41Å; N606-K608 PolarHBondContact OD1-N 3.1Å; N606-V609 PolarHBondContact O-N 3.2Å; N606-V609 WeakPolarHBondContact OD1-CG2 3.45Å; N606-V609 PolarHBondContact OD1-N 2.92Å; N606-F610 PolarHBondContact O-N 2.92Å
607	T	90	Very high	87.6	Confident	105 Å²	105	62.2 Å²	62.2	64%	0.644	33%	0.327	S	S	*	.	H	α-helix	trans	-58.8	-33.2	-177.7	-45.5	0	0	0	0	112.9	W611	T607-W611 PolarHBondContact O-N 2.75Å; T607-W611 VanDerWaalsContact O-N 3.1Å
608	K	91.7	Very high	88	Confident	179 Å²	179	62.1 Å²	62.1	78%	0.778	33%	0.329	S	S	*	.	H	α-helix	trans	-69.6	-45.8	178	-63.7	-179.1	177.8	178.5	0	111.6	N606 F610 W611 A612	N606-K608 PolarHBondContact O-N 3.19Å; N606-K608 WeakPolarHBondContact OD1-CA 3.4Å; N606-K608 WeakPolarHBondContact OD1-CB 3.41Å; N606-K608 PolarHBondContact OD1-N 3.1Å; K608-F610 VanDerWaalsContact C-N 3.33Å; K608-W611 PolarHBondContact O-N 3.4Å; K608-A612 WeakPolarHBondContact O-CB 3.49Å; K608-A612 PolarHBondContact O-N 2.98Å
609	V	91.7	Very high	88.7	Confident	40 Å²	40	64.6 Å²	64.6	24%	0.242	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-43.6	176.9	173.5	0	0	0	0	109.8	L529 N606 W611 A612 H613	L529-V609 HydrophobicContact CD1-CG1 3.69Å; L529-V609 HydrophobicContact CD2-CG1 4.08Å; N606-V609 PolarHBondContact O-N 3.2Å; N606-V609 WeakPolarHBondContact OD1-CG2 3.45Å; N606-V609 PolarHBondContact OD1-N 2.92Å; V609-W611 PolarHBondContact O-N 3.46Å; V609-A612 PolarHBondContact O-N 3.29Å; V609-H613 PolarHBondContact O-CD2 3.31Å; V609-H613 VanDerWaalsContact O-CD2 3.29Å; V609-H613 PolarHBondContact O-N 2.75Å
610	F	93.9	Very high	89.4	Confident	40 Å²	40	64 Å²	64	18%	0.175	33%	0.334	C	S	.	.	H	α-helix	trans	-54.5	-55.3	175	178.3	-95.9	0	0	0	112	L529 F532 N606 K608 A612 H613 C614	L529-F610 HydrophobicContact CD2-CB 4.36Å; L529-F610 HydrophobicContact CD2-CD2 4.41Å; F532-F610 HydrophobicContact CB-CE2 4.09Å; F532-F610 AromaticContact CD1-CE2 3.96Å; F532-F610 HydrophobicContact CD1-CE2 3.96Å; F532-F610 AromaticContact CD1-CZ 3.85Å; F532-F610 HydrophobicContact CD1-CZ 3.85Å; F532-F610 AromaticContact CD2-CE2 3.56Å; F532-F610 HydrophobicContact CD2-CE2 3.56Å; F532-F610 HydrophobicContact CD2-CZ 4.27Å; F532-F610 HydrophobicContact CE1-CE2 4.25Å; F532-F610 HydrophobicContact CE1-CZ 4.03Å; F532-F610 AromaticContact CE2-CE2 3.87Å; F532-F610 HydrophobicContact CE2-CE2 3.87Å; F532-F610 HydrophobicContact CE2-CZ 4.43Å; F532-F610 AromaticContact CG-CE2 3.59Å; F532-F610 HydrophobicContact CG-CE2 3.59Å; F532-F610 AromaticContact CG-CZ 3.96Å; F532-F610 HydrophobicContact CG-CZ 3.96Å; F532-F610 HydrophobicContact CZ-CE2 4.2Å; F532-F610 HydrophobicContact CZ-CZ 4.31Å; N606-F610 PolarHBondContact O-N 2.92Å; K608-F610 VanDerWaalsContact C-N 3.33Å; F610-A612 VanDerWaalsContact C-N 3.31Å; F610-A612 PolarHBondContact O-N 3.06Å; F610-H613 PolarHBondContact O-N 2.95Å; F610-H613 VanDerWaalsContact O-N 3.16Å; F610-C614 PolarHBondContact O-N 3Å; F610-C614 PolarHBondContact O-SG 3.07Å
611	W	94.8	Very high	90.2	Very high	162 Å²	162	63.4 Å²	63.4	61%	0.614	33%	0.331	S	S	*	.	H	α-helix	trans	-65.4	-32	179.8	-78.6	114.7	0	0	0	113.4	T607 K608 V609 H613 C614 L615	T607-W611 PolarHBondContact O-N 2.75Å; T607-W611 VanDerWaalsContact O-N 3.1Å; K608-W611 PolarHBondContact O-N 3.4Å; V609-W611 PolarHBondContact O-N 3.46Å; W611-H613 VanDerWaalsContact C-N 3.34Å; W611-C614 HydrophobicContact CE3-CB 4Å; W611-C614 HydrophobicContact CZ3-CB 4.44Å; W611-C614 PolarHBondContact O-N 3.48Å; W611-L615 WeakPolarHBondContact O-CB 3.32Å; W611-L615 PolarHBondContact O-N 3.38Å
612	A	94.3	Very high	91.1	Very high	57 Å²	57	61.1 Å²	61.1	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-41.8	173.3	0	0	0	0	0	111.8	K608 V609 F610 L615 N616	K608-A612 WeakPolarHBondContact O-CB 3.49Å; K608-A612 PolarHBondContact O-N 2.98Å; V609-A612 PolarHBondContact O-N 3.29Å; F610-A612 VanDerWaalsContact C-N 3.31Å; F610-A612 PolarHBondContact O-N 3.06Å; A612-L615 PolarHBondContact O-N 2.99Å; A612-N616 WeakPolarHBondContact O-CB 3.17Å; A612-N616 PolarHBondContact O-N 3.16Å
613	H	94.4	Very high	92.1	Very high	43 Å²	43	60.2 Å²	60.2	20%	0.199	31%	0.311	C	S	.	.	H	α-helix	trans	-68	-38.4	174.5	-83.5	-97.7	0	0	0	112.5	L529 V609 F610 W611 N616 G617	L529-H613 HydrophobicContact CD2-CB 4.28Å; V609-H613 PolarHBondContact O-CD2 3.31Å; V609-H613 VanDerWaalsContact O-CD2 3.29Å; V609-H613 PolarHBondContact O-N 2.75Å; F610-H613 PolarHBondContact O-N 2.95Å; F610-H613 VanDerWaalsContact O-N 3.16Å; W611-H613 VanDerWaalsContact C-N 3.34Å; H613-N616 WeakPolarHBondContact O-CB 3.3Å; H613-N616 PolarHBondContact O-N 2.96Å; H613-G617 PolarHBondContact O-N 3.4Å
614	C	95.3	Very high	93.3	Very high	9 Å²	9	55.2 Å²	55.2	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-44.2	174	-65.2	0	0	0	0	112	I536 F610 W611 N616 G617 L618	I536-C614 HydrophobicContact CD1-CB 3.6Å; I536-C614 WeakPolarHBondContact CD1-SG 3.27Å; F610-C614 PolarHBondContact O-N 3Å; F610-C614 PolarHBondContact O-SG 3.07Å; W611-C614 HydrophobicContact CE3-CB 4Å; W611-C614 HydrophobicContact CZ3-CB 4.44Å; W611-C614 PolarHBondContact O-N 3.48Å; C614-N616 VanDerWaalsContact C-N 3.31Å; C614-N616 PolarHBondContact O-N 3.09Å; C614-G617 PolarHBondContact O-N 2.95Å; C614-G617 VanDerWaalsContact O-N 3.15Å; C614-L618 PolarHBondContact O-N 3.48Å
615	L	96.4	Very high	94.5	Very high	115 Å²	115	53.6 Å²	53.6	60%	0.602	27%	0.27	S	S	*	.	H	α-helix	trans	-64.7	-37.2	177	-174.8	64.1	0	0	0	111.6	W611 A612 G617 L618 F619	W611-L615 WeakPolarHBondContact O-CB 3.32Å; W611-L615 PolarHBondContact O-N 3.38Å; A612-L615 PolarHBondContact O-N 2.99Å; L615-G617 VanDerWaalsContact C-N 3.33Å; L615-L618 HydrophobicContact CD1-CD2 4.17Å; L615-L618 WeakPolarHBondContact O-CB 3.44Å; L615-L618 PolarHBondContact O-N 3.38Å; L615-F619 PolarHBondContact O-N 3.4Å
616	N	96.4	Very high	95	Very high	29 Å²	29	54.3 Å²	54.3	16%	0.155	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-41.7	172.4	-166.5	23.8	0	0	0	111.7	A612 H613 C614 L618 F619 H620 K664 D735	A612-N616 WeakPolarHBondContact O-CB 3.17Å; A612-N616 PolarHBondContact O-N 3.16Å; H613-N616 WeakPolarHBondContact O-CB 3.3Å; H613-N616 PolarHBondContact O-N 2.96Å; C614-N616 VanDerWaalsContact C-N 3.31Å; C614-N616 PolarHBondContact O-N 3.09Å; N616-L618 VanDerWaalsContact C-N 3.32Å; N616-L618 PolarHBondContact O-N 3.07Å; N616-F619 PolarHBondContact O-N 3.37Å; N616-H620 PolarHBondContact O-N 3.27Å; N616-H620 PolarHBondContact OD1-NE2 3.35Å; N616-K664 PolarHBondContact ND2-NZ 2.77Å; N616-D735 PolarHBondContact ND2-OD1 3.21Å; N616-D735 PolarHBondContact ND2-OD2 3.47Å
617	G	96.4	Very high	95.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-40	174.4	0	0	0	0	0	112.9	V537 H613 C614 L615 H620 S621	V537-G617 WeakPolarHBondContact CG2-O 3.29Å; H613-G617 PolarHBondContact O-N 3.4Å; C614-G617 PolarHBondContact O-N 2.95Å; C614-G617 VanDerWaalsContact O-N 3.15Å; L615-G617 VanDerWaalsContact C-N 3.33Å; G617-H620 PolarHBondContact O-N 3.03Å; G617-S621 PolarHBondContact O-N 3.42Å
618	L	96.7	Very high	95.4	Very high	65 Å²	65	50.6 Å²	50.6	34%	0.34	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-43.7	173.2	-179	63.9	0	0	0	111.9	I540 W544 C614 L615 N616 S621 V622	I540-L618 HydrophobicContact CG2-CD1 3.63Å; W544-L618 HydrophobicContact CH2-CD1 4.41Å; W544-L618 HydrophobicContact CZ2-CD1 3.63Å; C614-L618 PolarHBondContact O-N 3.48Å; L615-L618 HydrophobicContact CD1-CD2 4.17Å; L615-L618 WeakPolarHBondContact O-CB 3.44Å; L615-L618 PolarHBondContact O-N 3.38Å; N616-L618 VanDerWaalsContact C-N 3.32Å; N616-L618 PolarHBondContact O-N 3.07Å; L618-S621 PolarHBondContact O-N 3.45Å; L618-S621 PolarHBondContact O-OG 2.9Å; L618-V622 WeakPolarHBondContact O-CG2 3.44Å; L618-V622 PolarHBondContact O-N 3.25Å
619	F	97	Very high	95.4	Very high	84 Å²	84	44 Å²	44	37%	0.368	22%	0.216	S	C	.	.	H	α-helix	trans	-63	-44	177.6	176.4	-111.3	0	0	0	111.9	L615 N616 V622 I623 F734	L615-F619 PolarHBondContact O-N 3.4Å; N616-F619 PolarHBondContact O-N 3.37Å; F619-V622 WeakPolarHBondContact O-CB 3.33Å; F619-V622 PolarHBondContact O-N 2.97Å; F619-I623 HydrophobicContact CD1-CD1 4.2Å; F619-I623 HydrophobicContact CE1-CD1 3.58Å; F619-I623 HydrophobicContact CE2-CD1 4.22Å; F619-I623 HydrophobicContact CZ-CD1 3.6Å; F619-I623 HydrophobicContact CZ-CG1 4.5Å; F619-I623 PolarHBondContact O-N 3.47Å; F619-F734 HydrophobicContact CE1-CB 4.33Å; F619-F734 AromaticContact CE1-CD2 3.66Å; F619-F734 HydrophobicContact CE1-CD2 3.66Å; F619-F734 HydrophobicContact CE1-CE2 4.26Å; F619-F734 HydrophobicContact CE1-CG 4.15Å; F619-F734 AromaticContact CZ-CD2 3.74Å; F619-F734 HydrophobicContact CZ-CD2 3.74Å; F619-F734 AromaticContact CZ-CE2 3.87Å; F619-F734 HydrophobicContact CZ-CE2 3.87Å; F619-F734 HydrophobicContact CZ-CG 4.35Å
620	H	97.7	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-37.4	175.9	-73.1	-173.8	0	0	0	112.8	Y533 V537 N616 G617 V622 I623 L624 S731 D735	Y533-H620 AromaticContact CE2-ND1 3.54Å; Y533-H620 AromaticContact CZ-ND1 3.54Å; Y533-H620 PolarHBondContact OH-CE1 3.49Å; Y533-H620 PolarHBondContact OH-ND1 2.62Å; V537-H620 HydrophobicContact CG2-CB 4.07Å; N616-H620 PolarHBondContact O-N 3.27Å; N616-H620 PolarHBondContact OD1-NE2 3.35Å; G617-H620 PolarHBondContact O-N 3.03Å; H620-V622 VanDerWaalsContact C-N 3.27Å; H620-V622 PolarHBondContact O-N 3.43Å; H620-I623 PolarHBondContact O-N 2.94Å; H620-L624 HydrophobicContact CB-CD1 4.25Å; H620-L624 VanDerWaalsContact O-CB 3.31Å; H620-L624 WeakPolarHBondContact O-CB 3.33Å; H620-L624 WeakPolarHBondContact O-CD1 3.26Å; H620-L624 WeakPolarHBondContact O-CG 3.43Å; H620-L624 PolarHBondContact O-N 3.42Å; H620-S731 PolarHBondContact NE2-O 2.99Å; H620-S731 VanDerWaalsContact NE2-O 3.07Å; H620-D735 IonicContact CE1-OD2 3.09Å; H620-D735 PolarHBondContact CE1-OD2 3.02Å; H620-D735 IonicContact NE2-OD2 3.55Å
621	S	96.9	Very high	95.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-35.2	177.1	75.3	0	0	0	0	112.2	V537 I540 W544 G617 L618 F625	V537-S621 WeakPolarHBondContact O-CB 3.09Å; I540-S621 WeakPolarHBondContact CG2-OG 3.17Å; W544-S621 PolarHBondContact NE1-OG 3.48Å; G617-S621 PolarHBondContact O-N 3.42Å; L618-S621 PolarHBondContact O-N 3.45Å; L618-S621 PolarHBondContact O-OG 2.9Å; S621-F625 WeakPolarHBondContact O-CB 3.34Å; S621-F625 PolarHBondContact O-N 2.81Å; S621-F625 VanDerWaalsContact O-N 3.1Å
622	V	96.8	Very high	94.7	Very high	50 Å²	50	41.7 Å²	41.7	30%	0.303	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-52.3	172.9	172.1	0	0	0	0	110.3	W544 L618 F619 H620 L624 F625 W626	W544-V622 HydrophobicContact CH2-CG2 4.27Å; W544-V622 HydrophobicContact CZ2-CG2 3.42Å; W544-V622 VanDerWaalsContact CZ2-CG2 3.42Å; L618-V622 WeakPolarHBondContact O-CG2 3.44Å; L618-V622 PolarHBondContact O-N 3.25Å; F619-V622 WeakPolarHBondContact O-CB 3.33Å; F619-V622 PolarHBondContact O-N 2.97Å; H620-V622 VanDerWaalsContact C-N 3.27Å; H620-V622 PolarHBondContact O-N 3.43Å; V622-L624 PolarHBondContact O-N 3.3Å; V622-F625 PolarHBondContact O-N 2.85Å; V622-W626 WeakPolarHBondContact O-CB 3.29Å; V622-W626 PolarHBondContact O-N 3.18Å
623	I	96.5	Very high	94	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-49.6	-179.8	-65	174.8	0	0	0	110.4	F619 H620 F625 F627 I727 S731	F619-I623 HydrophobicContact CD1-CD1 4.2Å; F619-I623 HydrophobicContact CE1-CD1 3.58Å; F619-I623 HydrophobicContact CE2-CD1 4.22Å; F619-I623 HydrophobicContact CZ-CD1 3.6Å; F619-I623 HydrophobicContact CZ-CG1 4.5Å; F619-I623 PolarHBondContact O-N 3.47Å; H620-I623 PolarHBondContact O-N 2.94Å; I623-F625 PolarHBondContact O-N 3.08Å; I623-F627 HydrophobicContact CB-CD2 4.16Å; I623-F627 HydrophobicContact CB-CE2 4.28Å; I623-F627 HydrophobicContact CG1-CE2 4.24Å; I623-F627 HydrophobicContact CG2-CD2 3.54Å; I623-F627 HydrophobicContact CG2-CE2 3.73Å; I623-F627 WeakPolarHBondContact O-CB 3.36Å; I623-F627 WeakPolarHBondContact O-CD2 3.27Å; I623-F627 PolarHBondContact O-N 3.4Å; I623-F627 VanDerWaalsContact O-N 3.17Å; I623-I727 HydrophobicContact CG2-CG2 4.45Å; I623-S731 WeakPolarHBondContact CG2-OG 3.35Å
624	L	96.9	Very high	93.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-23.8	-174.1	-70.7	163.1	0	0	0	113.4	V537 I541 H620 V622 P628 F656 V657 T660 I727	V537-L624 HydrophobicContact CG1-CD1 3.5Å; I541-L624 HydrophobicContact CD1-CB 4.21Å; H620-L624 HydrophobicContact CB-CD1 4.25Å; H620-L624 VanDerWaalsContact O-CB 3.31Å; H620-L624 WeakPolarHBondContact O-CB 3.33Å; H620-L624 WeakPolarHBondContact O-CD1 3.26Å; H620-L624 WeakPolarHBondContact O-CG 3.43Å; H620-L624 PolarHBondContact O-N 3.42Å; V622-L624 PolarHBondContact O-N 3.3Å; L624-P628 VanDerWaalsContact O-CD 3.24Å; L624-P628 WeakPolarHBondContact O-CD 3.24Å; L624-P628 VanDerWaalsContact O-CG 3.25Å; L624-P628 WeakPolarHBondContact O-CG 3.45Å; L624-F656 HydrophobicContact CD2-CB 3.8Å; L624-V657 HydrophobicContact CB-CG2 4.09Å; L624-V657 HydrophobicContact CD1-CG2 3.94Å; L624-V657 HydrophobicContact CG-CG2 4.42Å; L624-T660 HydrophobicContact CD1-CG2 4.22Å; L624-I727 HydrophobicContact CD2-CG2 3.69Å
625	F	96.6	Very high	91.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-92.2	-51.8	174.6	177.2	-106.7	0	0	0	113.1	I541 W544 F545 V548 L556 S621 V622 I623 F627 P628 L629	I541-F625 HydrophobicContact CG1-CB 4.25Å; I541-F625 HydrophobicContact CG2-CB 4Å; I541-F625 HydrophobicContact CG2-CD2 3.59Å; I541-F625 HydrophobicContact CG2-CE2 4.44Å; I541-F625 HydrophobicContact CG2-CG 4.09Å; W544-F625 HydrophobicContact CB-CB 4.34Å; W544-F625 HydrophobicContact CB-CD1 3.3Å; W544-F625 HydrophobicContact CB-CD2 4.48Å; W544-F625 HydrophobicContact CB-CE1 3.57Å; W544-F625 HydrophobicContact CB-CG 3.79Å; W544-F625 HydrophobicContact CB-CZ 4.28Å; W544-F625 HydrophobicContact CG-CD1 4.18Å; W544-F625 WeakPolarHBondContact O-CE1 3.4Å; F545-F625 HydrophobicContact CB-CE2 3.94Å; F545-F625 HydrophobicContact CB-CZ 4.13Å; F545-F625 HydrophobicContact CD2-CE2 4.08Å; F545-F625 HydrophobicContact CD2-CZ 4.21Å; F545-F625 HydrophobicContact CG-CE2 4.47Å; V548-F625 HydrophobicContact CG2-CZ 4.09Å; L556-F625 HydrophobicContact CD2-CD2 4.02Å; L556-F625 HydrophobicContact CD2-CE2 4Å; S621-F625 WeakPolarHBondContact O-CB 3.34Å; S621-F625 PolarHBondContact O-N 2.81Å; S621-F625 VanDerWaalsContact O-N 3.1Å; V622-F625 PolarHBondContact O-N 2.85Å; I623-F625 PolarHBondContact O-N 3.08Å; F625-F627 PolarHBondContact O-N 3.35Å; F625-P628 WeakPolarHBondContact O-CD 3.29Å; F625-L629 HydrophobicContact CE1-CD2 3.83Å; F625-L629 HydrophobicContact CZ-CD2 3.93Å; F625-L629 WeakPolarHBondContact O-CB 3.41Å; F625-L629 PolarHBondContact O-N 3.21Å; F625-L629 VanDerWaalsContact O-N 3.1Å
626	W	95.4	Very high	90.6	Very high	92 Å²	92	53.4 Å²	53.4	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-72.3	-33	-169.8	-73.6	99.9	0	0	0	113.1	V622 L629 K630	V622-W626 WeakPolarHBondContact O-CB 3.29Å; V622-W626 PolarHBondContact O-N 3.18Å; W626-L629 HydrophobicContact CE3-CD2 3.95Å; W626-L629 HydrophobicContact CZ3-CD2 3.95Å; W626-K630 WeakPolarHBondContact O-CB 3.34Å; W626-K630 VanDerWaalsContact O-CG 3.28Å; W626-K630 WeakPolarHBondContact O-CG 3.38Å; W626-K630 PolarHBondContact O-N 2.9Å
627	F	94.8	Very high	89.5	Confident	85 Å²	85	52.4 Å²	52.4	37%	0.373	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-51.3	177.3	-82.5	-88.3	0	0	0	112.5	I623 F625 L629 K630 A631 F726 I727 T730	I623-F627 HydrophobicContact CB-CD2 4.16Å; I623-F627 HydrophobicContact CB-CE2 4.28Å; I623-F627 HydrophobicContact CG1-CE2 4.24Å; I623-F627 HydrophobicContact CG2-CD2 3.54Å; I623-F627 HydrophobicContact CG2-CE2 3.73Å; I623-F627 WeakPolarHBondContact O-CB 3.36Å; I623-F627 WeakPolarHBondContact O-CD2 3.27Å; I623-F627 PolarHBondContact O-N 3.4Å; I623-F627 VanDerWaalsContact O-N 3.17Å; F625-F627 PolarHBondContact O-N 3.35Å; F627-L629 VanDerWaalsContact C-N 3.34Å; F627-L629 PolarHBondContact O-N 2.74Å; F627-K630 PolarHBondContact O-N 2.88Å; F627-A631 PolarHBondContact O-N 2.89Å; F627-F726 AromaticContact CD1-CE1 3.9Å; F627-F726 HydrophobicContact CD1-CE1 3.9Å; F627-F726 AromaticContact CE1-CE1 3.72Å; F627-F726 HydrophobicContact CE1-CE1 3.72Å; F627-F726 HydrophobicContact CE1-CZ 4.4Å; F627-I727 HydrophobicContact CB-CD1 4.27Å; F627-I727 HydrophobicContact CB-CG1 4.17Å; F627-T730 HydrophobicContact CE2-CG2 4.43Å; F627-T730 HydrophobicContact CZ-CG2 4.21Å
628	P	92.8	Very high	88.6	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-44.1	172	-29.9	39.1	0	0	0	113	L624 F625 K630 A631 F632 L649 V653 F656 I727	L624-P628 VanDerWaalsContact O-CD 3.24Å; L624-P628 WeakPolarHBondContact O-CD 3.24Å; L624-P628 VanDerWaalsContact O-CG 3.25Å; L624-P628 WeakPolarHBondContact O-CG 3.45Å; F625-P628 WeakPolarHBondContact O-CD 3.29Å; P628-K630 VanDerWaalsContact C-N 3.31Å; P628-K630 PolarHBondContact O-N 3.46Å; P628-A631 WeakPolarHBondContact O-CB 3.35Å; P628-A631 PolarHBondContact O-N 3.2Å; P628-A631 VanDerWaalsContact O-N 3.13Å; P628-F632 VanDerWaalsContact O-CD2 3.23Å; P628-F632 WeakPolarHBondContact O-CD2 3.49Å; P628-F632 PolarHBondContact O-N 3.07Å; P628-L649 HydrophobicContact CB-CD1 3.74Å; P628-V653 HydrophobicContact CB-CG2 3.7Å; P628-V653 HydrophobicContact CG-CG2 3.88Å; P628-F656 HydrophobicContact CG-CD2 3.75Å; P628-F656 HydrophobicContact CG-CE2 3.94Å; P628-I727 HydrophobicContact CG-CD1 3.76Å
629	L	92.2	Very high	87.5	Confident	41 Å²	41	54.3 Å²	54.3	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-42.4	179	-177.5	68.1	0	0	0	111.8	V548 F625 W626 F627 F632 Q633 L649	V548-L629 HydrophobicContact CG1-CD2 4.08Å; F625-L629 HydrophobicContact CE1-CD2 3.83Å; F625-L629 HydrophobicContact CZ-CD2 3.93Å; F625-L629 WeakPolarHBondContact O-CB 3.41Å; F625-L629 PolarHBondContact O-N 3.21Å; F625-L629 VanDerWaalsContact O-N 3.1Å; W626-L629 HydrophobicContact CE3-CD2 3.95Å; W626-L629 HydrophobicContact CZ3-CD2 3.95Å; F627-L629 VanDerWaalsContact C-N 3.34Å; F627-L629 PolarHBondContact O-N 2.74Å; L629-F632 PolarHBondContact O-N 3.36Å; L629-Q633 PolarHBondContact O-N 3.16Å; L629-L649 HydrophobicContact CD1-CD2 3.76Å
630	K	91.5	Very high	86.5	Confident	123 Å²	123	54.2 Å²	54.2	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-66.9	-36	175.9	-75.9	-64.5	-174.8	-174	0	113	W626 F627 P628 F632 Q633	W626-K630 WeakPolarHBondContact O-CB 3.34Å; W626-K630 VanDerWaalsContact O-CG 3.28Å; W626-K630 WeakPolarHBondContact O-CG 3.38Å; W626-K630 PolarHBondContact O-N 2.9Å; F627-K630 PolarHBondContact O-N 2.88Å; P628-K630 VanDerWaalsContact C-N 3.31Å; P628-K630 PolarHBondContact O-N 3.46Å; K630-F632 PolarHBondContact O-N 3.41Å; K630-Q633 VanDerWaalsContact O-CB 3.28Å; K630-Q633 WeakPolarHBondContact O-CB 3.34Å; K630-Q633 PolarHBondContact O-N 3.06Å
631	A	88.6	Confident	85.5	Confident	51 Å²	51	56.7 Å²	56.7	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-25	173.6	0	0	0	0	0	112.6	F627 P628 V719	F627-A631 PolarHBondContact O-N 2.89Å; P628-A631 WeakPolarHBondContact O-CB 3.35Å; P628-A631 PolarHBondContact O-N 3.2Å; P628-A631 VanDerWaalsContact O-N 3.13Å; A631-V719 HydrophobicContact CB-CG1 3.69Å
632	F	84.2	Confident	84.8	Confident	18 Å²	18	63.5 Å²	63.5	8%	0.079	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.2	176.8	-85.2	-116.2	0	0	0	114.2	P628 L629 K630 H634 D635 V637 L648 L649 M652	P628-F632 VanDerWaalsContact O-CD2 3.23Å; P628-F632 WeakPolarHBondContact O-CD2 3.49Å; P628-F632 PolarHBondContact O-N 3.07Å; L629-F632 PolarHBondContact O-N 3.36Å; K630-F632 PolarHBondContact O-N 3.41Å; F632-H634 PolarHBondContact O-N 3.47Å; F632-D635 PolarHBondContact O-N 3.4Å; F632-D635 VanDerWaalsContact O-N 3.1Å; F632-V637 HydrophobicContact CB-CG2 4.4Å; F632-V637 HydrophobicContact CD1-CG2 3.73Å; F632-V637 HydrophobicContact CD2-CG1 4.42Å; F632-V637 HydrophobicContact CD2-CG2 4.04Å; F632-V637 HydrophobicContact CE1-CB 4.33Å; F632-V637 HydrophobicContact CE1-CG1 4.22Å; F632-V637 HydrophobicContact CE1-CG2 3.94Å; F632-V637 HydrophobicContact CE2-CG1 3.87Å; F632-V637 HydrophobicContact CE2-CG2 4.24Å; F632-V637 HydrophobicContact CG-CG2 3.8Å; F632-V637 HydrophobicContact CZ-CB 4.38Å; F632-V637 HydrophobicContact CZ-CG1 3.77Å; F632-V637 HydrophobicContact CZ-CG2 4.21Å; F632-L648 HydrophobicContact CE1-CD2 4.28Å; F632-L648 HydrophobicContact CE1-CG 4.46Å; F632-L648 HydrophobicContact CZ-CD2 4.33Å; F632-L648 HydrophobicContact CZ-CG 4.36Å; F632-L649 HydrophobicContact CD1-CB 4.32Å; F632-L649 HydrophobicContact CD2-CD1 4.05Å; F632-L649 HydrophobicContact CE1-CB 4.24Å; F632-L649 HydrophobicContact CE2-CD1 4.33Å; F632-L649 HydrophobicContact CG-CD1 4.16Å; F632-M652 HydrophobicContact CE2-CE 4.07Å; F632-M652 HydrophobicContact CE2-SD 3.44Å; F632-M652 WeakPolarHBondContact CE2-SD 3.19Å; F632-M652 HydrophobicContact CZ-CE 3.65Å; F632-M652 HydrophobicContact CZ-CG 4.43Å; F632-M652 HydrophobicContact CZ-SD 3.53Å; F632-M652 VanDerWaalsContact CZ-SD 3.53Å
633	Q	80.3	Confident	84.1	Confident	114 Å²	114	66.1 Å²	66.1	53%	0.533	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.6	-171	-174.7	172.8	-18.4	0	0	114.9	L629 K630	L629-Q633 PolarHBondContact O-N 3.16Å; K630-Q633 VanDerWaalsContact O-CB 3.28Å; K630-Q633 WeakPolarHBondContact O-CB 3.34Å; K630-Q633 PolarHBondContact O-N 3.06Å
634	H	75.4	Confident	83.4	Confident	155 Å²	155	67.5 Å²	67.5	72%	0.718	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	13.4	-178.7	-62.9	-57.1	0	0	0	114.3	F632 T636	F632-H634 PolarHBondContact O-N 3.47Å; H634-T636 PolarHBondContact O-N 3.38Å
635	D	67.8	Low	82.9	Confident	108 Å²	108	70.6 Å²	70.6	58%	0.578	40%	0.4	S	S	*	.	S	Bend	trans	56.2	-17.2	175.5	-65.9	-27.7	0	0	0	118.1	F632 V637 T643	F632-D635 PolarHBondContact O-N 3.4Å; F632-D635 VanDerWaalsContact O-N 3.1Å; D635-V637 PolarHBondContact O-N 2.87Å; D635-T643 HydrophobicContact CB-CG2 4.18Å
636	T	72	Confident	82.5	Confident	93 Å²	93	75.6 Å²	75.6	57%	0.571	42%	0.419	S	S	*	.			trans	-93	73.5	178.1	59	0	0	0	0	111.4	H634	H634-T636 PolarHBondContact O-N 3.38Å
637	V	72.8	Confident	82.3	Confident	8 Å²	8	71.5 Å²	71.5	5%	0.048	40%	0.404	C	S	.	.			trans	-91.1	-16.7	-175.5	-179.6	0	0	0	0	112.8	F632 D635 M652 S717 V719	F632-V637 HydrophobicContact CB-CG2 4.4Å; F632-V637 HydrophobicContact CD1-CG2 3.73Å; F632-V637 HydrophobicContact CD2-CG1 4.42Å; F632-V637 HydrophobicContact CD2-CG2 4.04Å; F632-V637 HydrophobicContact CE1-CB 4.33Å; F632-V637 HydrophobicContact CE1-CG1 4.22Å; F632-V637 HydrophobicContact CE1-CG2 3.94Å; F632-V637 HydrophobicContact CE2-CG1 3.87Å; F632-V637 HydrophobicContact CE2-CG2 4.24Å; F632-V637 HydrophobicContact CG-CG2 3.8Å; F632-V637 HydrophobicContact CZ-CB 4.38Å; F632-V637 HydrophobicContact CZ-CG1 3.77Å; F632-V637 HydrophobicContact CZ-CG2 4.21Å; D635-V637 PolarHBondContact O-N 2.87Å; V637-M652 HydrophobicContact CG1-CE 4.27Å; V637-S717 VanDerWaalsContact CG1-OG 3.31Å; V637-S717 WeakPolarHBondContact CG1-OG 3.37Å; V637-S717 PolarHBondContact O-OG 3.13Å; V637-V719 HydrophobicContact CG1-CB 3.84Å; V637-V719 HydrophobicContact CG1-CG1 4.3Å; V637-V719 HydrophobicContact CG1-CG2 3.94Å
638	L	78	Confident	82.2	Confident	17 Å²	17	67.4 Å²	67.4	9%	0.089	39%	0.387	C	S	.	.	S	Bend	trans	-96.7	138.2	178.4	-70.8	161.9	0	0	0	110.8	S640 G641 K642 T644 M713 S716	L638-S640 PolarHBondContact O-N 3.21Å; L638-G641 PolarHBondContact O-N 3.45Å; L638-K642 HydrophobicContact CD1-CB 4.02Å; L638-T644 HydrophobicContact CD1-CG2 3.42Å; L638-T644 VanDerWaalsContact CD1-CG2 3.42Å; L638-T644 HydrophobicContact CG-CG2 4.08Å; L638-M713 WeakPolarHBondContact CD2-O 3.43Å; L638-S716 WeakPolarHBondContact CD2-OG 3.24Å
639	G	73.9	Confident	82.1	Confident	89 Å²	89	67.8 Å²	67.8	92%	0.918	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.6	174	0	0	0	0	0	114.5
640	S	75.1	Confident	82.2	Confident	82 Å²	82	65.9 Å²	65.9	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-5	173.7	61.6	0	0	0	0	114.3	L638 K642	L638-S640 PolarHBondContact O-N 3.21Å; S640-K642 VanDerWaalsContact C-N 3.27Å; S640-K642 PolarHBondContact O-N 3.01Å
641	G	77.4	Confident	82.3	Confident	51 Å²	51	60.1 Å²	60.1	53%	0.526	35%	0.353	S	S	.	.			trans	76.6	4.9	-177.8	0	0	0	0	0	115.2	L638	L638-G641 PolarHBondContact O-N 3.45Å
642	K	81.3	Confident	82.6	Confident	144 Å²	144	57.8 Å²	57.8	63%	0.626	33%	0.334	S	S	*	.			trans	-77.1	145.1	175.4	-64.7	-178.8	179.3	-178	0	111.4	L638 S640	L638-K642 HydrophobicContact CD1-CB 4.02Å; S640-K642 VanDerWaalsContact C-N 3.27Å; S640-K642 PolarHBondContact O-N 3.01Å
643	T	83.1	Confident	83.1	Confident	104 Å²	104	56.9 Å²	56.9	64%	0.638	33%	0.33	S	S	*	.			trans	-85.2	161.6	170.2	55.1	0	0	0	0	111	D635	D635-T643 HydrophobicContact CB-CG2 4.18Å
644	T	82.5	Confident	83.9	Confident	40 Å²	40	51.5 Å²	51.5	25%	0.245	31%	0.305	C	S	.	.			trans	-132.5	169.9	-172.7	61	0	0	0	0	111	L638 L648	L638-T644 HydrophobicContact CD1-CG2 3.42Å; L638-T644 VanDerWaalsContact CD1-CG2 3.42Å; L638-T644 HydrophobicContact CG-CG2 4.08Å; T644-L648 VanDerWaalsContact CB-CD2 3.5Å; T644-L648 HydrophobicContact CG2-CD2 3.41Å; T644-L648 VanDerWaalsContact CG2-CD2 3.41Å
645	D	85.6	Confident	84.9	Confident	64 Å²	64	44.2 Å²	44.2	34%	0.342	27%	0.271	S	S	.	.			trans	-90.2	171.4	178.4	65.6	-15.8	0	0	0	112.9	L647 L648 Q710	D645-L647 PolarHBondContact O-N 3.04Å; D645-L647 VanDerWaalsContact OD2-CB 3.31Å; D645-L647 WeakPolarHBondContact OD2-CB 3.32Å; D645-L648 PolarHBondContact O-N 2.97Å; D645-L648 PolarHBondContact OD1-N 3.43Å; D645-L648 VanDerWaalsContact OD1-N 3.15Å; D645-Q710 PolarHBondContact OD1-NE2 3.28Å; D645-Q710 PolarHBondContact OD2-NE2 2.97Å
646	Y	88.6	Confident	86.3	Confident	105 Å²	105	39.2 Å²	39.2	41%	0.412	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-24.9	176.5	76.3	-85.6	0	0	0	112.3	F545 Q554 L648 L649 G650	F545-Y646 HydrophobicContact CZ-CD2 4.35Å; Q554-Y646 PolarHBondContact NE2-OH 3.5Å; Q554-Y646 VanDerWaalsContact NE2-OH 3.11Å; Y646-L648 VanDerWaalsContact C-N 3.34Å; Y646-L649 WeakPolarHBondContact O-CB 3.46Å; Y646-L649 PolarHBondContact O-N 3.42Å; Y646-G650 PolarHBondContact O-N 2.89Å
647	L	91.1	Very high	87.5	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-70.2	-32.5	-178.9	-165.5	62.1	0	0	0	111.7	E558 D645 L649 G650 N651 D706 M707	E558-L647 HydrophobicContact CB-CD1 4.22Å; D645-L647 PolarHBondContact O-N 3.04Å; D645-L647 VanDerWaalsContact OD2-CB 3.31Å; D645-L647 WeakPolarHBondContact OD2-CB 3.32Å; L647-L649 VanDerWaalsContact C-N 3.34Å; L647-G650 PolarHBondContact O-N 3.34Å; L647-N651 PolarHBondContact O-N 3.29Å; L647-N651 PolarHBondContact O-ND2 3.48Å; L647-N651 VanDerWaalsContact O-ND2 3.15Å; L647-D706 HydrophobicContact CD2-CB 3.82Å; L647-D706 VanDerWaalsContact CD2-O 3.26Å; L647-D706 WeakPolarHBondContact CD2-O 3.21Å; L647-M707 HydrophobicContact CD1-CE 3.69Å; L647-M707 HydrophobicContact CD2-CE 3.68Å; L647-M707 HydrophobicContact CD2-CG 4.42Å; L647-M707 HydrophobicContact CD2-SD 4.05Å; L647-M707 HydrophobicContact CG-CE 3.65Å; L647-M707 HydrophobicContact CG-SD 4.38Å
648	L	91.3	Very high	88.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-43.6	170.7	-174.2	66.3	0	0	0	111.6	F632 T644 D645 Y646 G650 N651 M652 M713 M714	F632-L648 HydrophobicContact CE1-CD2 4.28Å; F632-L648 HydrophobicContact CE1-CG 4.46Å; F632-L648 HydrophobicContact CZ-CD2 4.33Å; F632-L648 HydrophobicContact CZ-CG 4.36Å; T644-L648 VanDerWaalsContact CB-CD2 3.5Å; T644-L648 HydrophobicContact CG2-CD2 3.41Å; T644-L648 VanDerWaalsContact CG2-CD2 3.41Å; D645-L648 PolarHBondContact O-N 2.97Å; D645-L648 PolarHBondContact OD1-N 3.43Å; D645-L648 VanDerWaalsContact OD1-N 3.15Å; Y646-L648 VanDerWaalsContact C-N 3.34Å; L648-G650 VanDerWaalsContact C-N 3.32Å; L648-G650 PolarHBondContact O-N 2.86Å; L648-N651 PolarHBondContact O-N 2.9Å; L648-M652 HydrophobicContact CD1-CE 4.3Å; L648-M652 HydrophobicContact CD2-CE 4.14Å; L648-M652 HydrophobicContact CG-CE 4.07Å; L648-M652 WeakPolarHBondContact O-CG 3.4Å; L648-M652 PolarHBondContact O-N 3.31Å; L648-M713 HydrophobicContact CD1-CB 4.21Å; L648-M714 HydrophobicContact CD1-CB 3.7Å; L648-M714 HydrophobicContact CD1-CG 4.23Å
649	L	91.9	Very high	89.7	Confident	11 Å²	11	34.6 Å²	34.6	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-46.3	173	173	67.4	0	0	0	110.3	L556 P628 L629 F632 Y646 L647 N651 M652 V653	L556-L649 HydrophobicContact CD1-CD2 4.43Å; L556-L649 HydrophobicContact CD1-CG 4.48Å; P628-L649 HydrophobicContact CB-CD1 3.74Å; L629-L649 HydrophobicContact CD1-CD2 3.76Å; F632-L649 HydrophobicContact CD1-CB 4.32Å; F632-L649 HydrophobicContact CD2-CD1 4.05Å; F632-L649 HydrophobicContact CE1-CB 4.24Å; F632-L649 HydrophobicContact CE2-CD1 4.33Å; F632-L649 HydrophobicContact CG-CD1 4.16Å; Y646-L649 WeakPolarHBondContact O-CB 3.46Å; Y646-L649 PolarHBondContact O-N 3.42Å; L647-L649 VanDerWaalsContact C-N 3.34Å; L649-N651 PolarHBondContact O-N 3.12Å; L649-M652 PolarHBondContact O-N 3.05Å; L649-V653 HydrophobicContact CD1-CG2 4.07Å; L649-V653 HydrophobicContact CG-CG2 4.36Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.26Å; L649-V653 PolarHBondContact O-N 3.48Å
650	G	93.3	Very high	90.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-45	176	0	0	0	0	0	113.1	F557 Y646 L647 L648 V653 Y654	F557-G650 WeakPolarHBondContact CD1-O 3.36Å; F557-G650 WeakPolarHBondContact CE1-O 3.4Å; Y646-G650 PolarHBondContact O-N 2.89Å; L647-G650 PolarHBondContact O-N 3.34Å; L648-G650 VanDerWaalsContact C-N 3.32Å; L648-G650 PolarHBondContact O-N 2.86Å; G650-V653 PolarHBondContact O-N 2.94Å; G650-Y654 VanDerWaalsContact O-CB 3.24Å; G650-Y654 WeakPolarHBondContact O-CB 3.47Å; G650-Y654 PolarHBondContact O-N 3.24Å
651	N	94.5	Very high	91.9	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-37.4	177.7	-72.9	-39	0	0	0	113.1	L647 L648 L649 T655 F691 M707 M714	L647-N651 PolarHBondContact O-N 3.29Å; L647-N651 PolarHBondContact O-ND2 3.48Å; L647-N651 VanDerWaalsContact O-ND2 3.15Å; L648-N651 PolarHBondContact O-N 2.9Å; L649-N651 PolarHBondContact O-N 3.12Å; N651-T655 WeakPolarHBondContact O-CB 3.4Å; N651-T655 PolarHBondContact O-N 3.15Å; N651-T655 PolarHBondContact O-OG1 3.47Å; N651-F691 HydrophobicContact CB-CE2 4.04Å; N651-F691 HydrophobicContact CB-CZ 3.78Å; N651-F691 VanDerWaalsContact CG-CE2 3.48Å; N651-M707 WeakPolarHBondContact ND2-CE 3.11Å; N651-M707 PolarHBondContact ND2-SD 2.84Å; N651-M707 VanDerWaalsContact ND2-SD 3.38Å; N651-M707 WeakPolarHBondContact OD1-CE 3.12Å; N651-M714 HydrophobicContact CB-SD 4.05Å
652	M	93.9	Very high	92.8	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-50.2	174.4	-70.9	-160.3	-168.9	0	0	111.2	F632 V637 L648 L649 Y654 T655 F656 M714 F720	F632-M652 HydrophobicContact CE2-CE 4.07Å; F632-M652 HydrophobicContact CE2-SD 3.44Å; F632-M652 WeakPolarHBondContact CE2-SD 3.19Å; F632-M652 HydrophobicContact CZ-CE 3.65Å; F632-M652 HydrophobicContact CZ-CG 4.43Å; F632-M652 HydrophobicContact CZ-SD 3.53Å; F632-M652 VanDerWaalsContact CZ-SD 3.53Å; V637-M652 HydrophobicContact CG1-CE 4.27Å; L648-M652 HydrophobicContact CD1-CE 4.3Å; L648-M652 HydrophobicContact CD2-CE 4.14Å; L648-M652 HydrophobicContact CG-CE 4.07Å; L648-M652 WeakPolarHBondContact O-CG 3.4Å; L648-M652 PolarHBondContact O-N 3.31Å; L649-M652 PolarHBondContact O-N 3.05Å; M652-Y654 VanDerWaalsContact C-N 3.31Å; M652-Y654 PolarHBondContact O-N 3.45Å; M652-T655 PolarHBondContact O-N 2.98Å; M652-F656 HydrophobicContact CB-CE2 4.09Å; M652-F656 HydrophobicContact CB-CZ 4.49Å; M652-F656 WeakPolarHBondContact O-CD2 3.5Å; M652-F656 VanDerWaalsContact O-CG 3.3Å; M652-F656 WeakPolarHBondContact O-CG 3.34Å; M652-F656 PolarHBondContact O-N 3.31Å; M652-M714 HydrophobicContact CE-CG 4.02Å; M652-M714 HydrophobicContact CG-CG 3.75Å; M652-M714 HydrophobicContact CG-SD 3.93Å; M652-F720 HydrophobicContact CE-CB 3.83Å; M652-F720 HydrophobicContact CG-CD2 4.03Å; M652-F720 HydrophobicContact SD-CB 4.01Å; M652-F720 HydrophobicContact SD-CD2 4.27Å
653	V	96.3	Very high	93.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57	-46.6	176.6	172.8	0	0	0	0	110.3	I541 L556 F557 P628 L649 G650 T655 F656 V657	I541-V653 HydrophobicContact CD1-CG1 3.77Å; I541-V653 HydrophobicContact CG2-CG1 4.06Å; L556-V653 HydrophobicContact CD2-CG1 4.44Å; F557-V653 HydrophobicContact CE1-CB 4.16Å; F557-V653 HydrophobicContact CE1-CG1 3.91Å; F557-V653 HydrophobicContact CZ-CG1 3.93Å; P628-V653 HydrophobicContact CB-CG2 3.7Å; P628-V653 HydrophobicContact CG-CG2 3.88Å; L649-V653 HydrophobicContact CD1-CG2 4.07Å; L649-V653 HydrophobicContact CG-CG2 4.36Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.26Å; L649-V653 PolarHBondContact O-N 3.48Å; G650-V653 PolarHBondContact O-N 2.94Å; V653-T655 VanDerWaalsContact C-N 3.35Å; V653-T655 PolarHBondContact O-N 3.35Å; V653-F656 PolarHBondContact O-N 3.28Å; V653-V657 HydrophobicContact CG1-CG2 4.27Å; V653-V657 VanDerWaalsContact O-CG2 3.24Å; V653-V657 WeakPolarHBondContact O-CG2 3.47Å; V653-V657 PolarHBondContact O-N 2.83Å
654	Y	96.6	Very high	94.2	Very high	1 Å²	1	15 Å²	15	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-60.3	-43.9	178.9	-164.7	-83.4	0	0	0	112	L538 F557 C561 Y565 F569 G650 M652 F656 V657 V658 W687	L538-Y654 HydrophobicContact CD1-CD2 3.84Å; L538-Y654 HydrophobicContact CD1-CE2 4.03Å; L538-Y654 HydrophobicContact CD2-CE2 4.09Å; F557-Y654 HydrophobicContact CB-CD2 4.4Å; F557-Y654 AromaticContact CD1-CD2 3.66Å; F557-Y654 HydrophobicContact CD1-CD2 3.66Å; F557-Y654 HydrophobicContact CD1-CG 4.25Å; F557-Y654 HydrophobicContact CD2-CD2 4.5Å; F557-Y654 HydrophobicContact CE1-CD2 4.01Å; F557-Y654 HydrophobicContact CE1-CG 4.45Å; F557-Y654 AromaticContact CG-CD2 3.93Å; F557-Y654 HydrophobicContact CG-CD2 3.93Å; C561-Y654 HydrophobicContact CB-CD2 4.35Å; C561-Y654 HydrophobicContact CB-CE2 3.88Å; C561-Y654 PolarHBondContact O-OH 2.94Å; Y565-Y654 WeakPolarHBondContact CA-OH 3.44Å; Y565-Y654 VanDerWaalsContact CB-OH 3.29Å; Y565-Y654 WeakPolarHBondContact CB-OH 3.35Å; Y565-Y654 HydrophobicContact CD2-CE2 4.21Å; Y565-Y654 AromaticContact CD2-CZ 3.84Å; Y565-Y654 WeakPolarHBondContact CD2-OH 3.33Å; F569-Y654 HydrophobicContact CD2-CE1 4.07Å; F569-Y654 WeakPolarHBondContact CD2-OH 3.47Å; F569-Y654 HydrophobicContact CE2-CE1 4.44Å; G650-Y654 VanDerWaalsContact O-CB 3.24Å; G650-Y654 WeakPolarHBondContact O-CB 3.47Å; G650-Y654 PolarHBondContact O-N 3.24Å; M652-Y654 VanDerWaalsContact C-N 3.31Å; M652-Y654 PolarHBondContact O-N 3.45Å; Y654-F656 PolarHBondContact O-N 3.01Å; Y654-V657 PolarHBondContact O-N 2.73Å; Y654-V658 HydrophobicContact CD1-CG2 3.8Å; Y654-V658 HydrophobicContact CE1-CG2 3.55Å; Y654-V658 WeakPolarHBondContact O-CG2 3.09Å; Y654-V658 PolarHBondContact O-N 3.33Å; Y654-W687 AromaticContact CD1-CD2 3.89Å; Y654-W687 HydrophobicContact CD1-CD2 3.89Å; Y654-W687 AromaticContact CD1-CE2 3.62Å; Y654-W687 AromaticContact CD1-CE3 3.9Å; Y654-W687 HydrophobicContact CD1-CE3 3.9Å; Y654-W687 AromaticContact CD1-CH2 3.38Å; Y654-W687 HydrophobicContact CD1-CH2 3.38Å; Y654-W687 AromaticContact CD1-CZ2 3.37Å; Y654-W687 HydrophobicContact CD1-CZ2 3.37Å; Y654-W687 AromaticContact CD1-CZ3 3.65Å; Y654-W687 HydrophobicContact CD1-CZ3 3.65Å; Y654-W687 AromaticContact CE1-CD2 3.85Å; Y654-W687 HydrophobicContact CE1-CD2 3.85Å; Y654-W687 AromaticContact CE1-CE3 3.5Å; Y654-W687 HydrophobicContact CE1-CE3 3.5Å; Y654-W687 AromaticContact CE1-CH2 3.68Å; Y654-W687 HydrophobicContact CE1-CH2 3.68Å; Y654-W687 HydrophobicContact CE1-CZ2 4.02Å; Y654-W687 AromaticContact CE1-CZ3 3.4Å; Y654-W687 HydrophobicContact CE1-CZ3 3.4Å; Y654-W687 VanDerWaalsContact CE1-CZ3 3.4Å; Y654-W687 HydrophobicContact CG-CH2 4.14Å; Y654-W687 HydrophobicContact CG-CZ2 4.19Å
655	T	96.6	Very high	94.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.7	-59	0	0	0	0	111.5	N651 M652 V653 V657 V658 I659 W687 F720 L724	N651-T655 WeakPolarHBondContact O-CB 3.4Å; N651-T655 PolarHBondContact O-N 3.15Å; N651-T655 PolarHBondContact O-OG1 3.47Å; M652-T655 PolarHBondContact O-N 2.98Å; V653-T655 VanDerWaalsContact C-N 3.35Å; V653-T655 PolarHBondContact O-N 3.35Å; T655-V657 VanDerWaalsContact C-N 3.34Å; T655-V657 PolarHBondContact O-N 2.97Å; T655-V658 PolarHBondContact O-N 2.92Å; T655-I659 HydrophobicContact CG2-CD1 3.95Å; T655-I659 WeakPolarHBondContact O-CG1 3.42Å; T655-I659 PolarHBondContact O-N 3.38Å; T655-I659 VanDerWaalsContact O-N 3.1Å; T655-W687 PolarHBondContact OG1-NE1 3.38Å; T655-F720 HydrophobicContact CG2-CE2 3.89Å; T655-F720 HydrophobicContact CG2-CZ 4.04Å; T655-L724 HydrophobicContact CG2-CD1 4.34Å
656	F	97.1	Very high	95.3	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.018	5%	0.049	C	C	.	.	H	α-helix	trans	-66.7	-35.8	177.3	-56.6	-35.3	0	0	0	112.3	L624 P628 M652 V653 Y654 T660 F720 L724 I727	L624-F656 HydrophobicContact CD2-CB 3.8Å; P628-F656 HydrophobicContact CG-CD2 3.75Å; P628-F656 HydrophobicContact CG-CE2 3.94Å; M652-F656 HydrophobicContact CB-CE2 4.09Å; M652-F656 HydrophobicContact CB-CZ 4.49Å; M652-F656 WeakPolarHBondContact O-CD2 3.5Å; M652-F656 VanDerWaalsContact O-CG 3.3Å; M652-F656 WeakPolarHBondContact O-CG 3.34Å; M652-F656 PolarHBondContact O-N 3.31Å; V653-F656 PolarHBondContact O-N 3.28Å; Y654-F656 PolarHBondContact O-N 3.01Å; F656-T660 WeakPolarHBondContact O-CB 3.32Å; F656-T660 PolarHBondContact O-N 3.03Å; F656-T660 PolarHBondContact O-OG1 2.76Å; F656-F720 HydrophobicContact CE1-CD2 4.07Å; F656-F720 AromaticContact CE1-CE2 3.97Å; F656-F720 HydrophobicContact CE1-CE2 3.97Å; F656-F720 AromaticContact CZ-CD2 3.97Å; F656-F720 HydrophobicContact CZ-CD2 3.97Å; F656-F720 HydrophobicContact CZ-CE2 4.31Å; F656-L724 HydrophobicContact CD1-CD1 4.31Å; F656-L724 VanDerWaalsContact CE1-CA 3.46Å; F656-L724 HydrophobicContact CE1-CB 4.12Å; F656-L724 HydrophobicContact CE1-CD1 4.1Å; F656-L724 VanDerWaalsContact CE1-N 3.31Å; F656-I727 HydrophobicContact CB-CG2 4.28Å; F656-I727 HydrophobicContact CD2-CD1 3.52Å; F656-I727 HydrophobicContact CD2-CG2 4.49Å; F656-I727 HydrophobicContact CE2-CD1 3.43Å; F656-I727 VanDerWaalsContact CE2-CD1 3.43Å; F656-I727 HydrophobicContact CG-CD1 4.25Å; F656-I727 HydrophobicContact CG-CG2 4.47Å; F656-I727 HydrophobicContact CZ-CD1 4.1Å
657	V	97.8	Very high	95.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.6	-52.7	173.7	170.5	0	0	0	0	110.5	V537 L538 I541 Y565 L624 V653 Y654 T655 I659 T660 V661	V537-V657 HydrophobicContact CG1-CG1 4.01Å; V537-V657 HydrophobicContact CG1-CG2 4.43Å; L538-V657 HydrophobicContact CB-CG1 4.25Å; L538-V657 HydrophobicContact CD1-CB 4.35Å; L538-V657 HydrophobicContact CD1-CG1 3.9Å; L538-V657 HydrophobicContact CD1-CG2 4.37Å; I541-V657 HydrophobicContact CD1-CG2 3.46Å; I541-V657 VanDerWaalsContact CD1-CG2 3.46Å; Y565-V657 HydrophobicContact CE2-CG1 4.15Å; L624-V657 HydrophobicContact CB-CG2 4.09Å; L624-V657 HydrophobicContact CD1-CG2 3.94Å; L624-V657 HydrophobicContact CG-CG2 4.42Å; V653-V657 HydrophobicContact CG1-CG2 4.27Å; V653-V657 VanDerWaalsContact O-CG2 3.24Å; V653-V657 WeakPolarHBondContact O-CG2 3.47Å; V653-V657 PolarHBondContact O-N 2.83Å; Y654-V657 PolarHBondContact O-N 2.73Å; T655-V657 VanDerWaalsContact C-N 3.34Å; T655-V657 PolarHBondContact O-N 2.97Å; V657-I659 VanDerWaalsContact C-N 3.32Å; V657-I659 PolarHBondContact O-N 3.31Å; V657-T660 PolarHBondContact O-N 3.39Å; V657-V661 HydrophobicContact CG1-CG1 4.28Å; V657-V661 WeakPolarHBondContact O-CG1 3.26Å; V657-V661 WeakPolarHBondContact O-CG2 3.31Å; V657-V661 PolarHBondContact O-N 3.48Å
658	V	97.6	Very high	95.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57.1	-46.7	-179.2	174.1	0	0	0	0	110.8	Y565 Y654 T655 V661 C662 W687	Y565-V658 HydrophobicContact CD2-CG2 4.48Å; Y565-V658 HydrophobicContact CE2-CG2 4.29Å; Y654-V658 HydrophobicContact CD1-CG2 3.8Å; Y654-V658 HydrophobicContact CE1-CG2 3.55Å; Y654-V658 WeakPolarHBondContact O-CG2 3.09Å; Y654-V658 PolarHBondContact O-N 3.33Å; T655-V658 PolarHBondContact O-N 2.92Å; V658-V661 WeakPolarHBondContact O-CG2 3.48Å; V658-C662 WeakPolarHBondContact O-CB 3.44Å; V658-C662 PolarHBondContact O-N 2.91Å; V658-C662 PolarHBondContact O-SG 2.94Å; V658-W687 HydrophobicContact CG1-CB 4.08Å; V658-W687 HydrophobicContact CG1-CG 4.39Å; V658-W687 HydrophobicContact CG2-CG 4.31Å
659	I	97.4	Very high	95.8	Very high	21 Å²	21	9.4 Å²	9.4	11%	0.108	5%	0.05	C	C	.	.	H	α-helix	trans	-63	-49	178.8	-68.3	168.5	0	0	0	110.7	T655 V657 V661 C662 L663 I684 L724 P728	T655-I659 HydrophobicContact CG2-CD1 3.95Å; T655-I659 WeakPolarHBondContact O-CG1 3.42Å; T655-I659 PolarHBondContact O-N 3.38Å; T655-I659 VanDerWaalsContact O-N 3.1Å; V657-I659 VanDerWaalsContact C-N 3.32Å; V657-I659 PolarHBondContact O-N 3.31Å; I659-V661 PolarHBondContact O-N 3.09Å; I659-C662 PolarHBondContact O-N 3.37Å; I659-L663 HydrophobicContact CG2-CD1 3.74Å; I659-L663 HydrophobicContact CG2-CG 4.24Å; I659-L663 WeakPolarHBondContact O-CB 3.33Å; I659-L663 VanDerWaalsContact O-CG 3.29Å; I659-L663 WeakPolarHBondContact O-CG 3.21Å; I659-L663 PolarHBondContact O-N 3.35Å; I659-I684 HydrophobicContact CG1-CD1 4.39Å; I659-I684 HydrophobicContact CG1-CG1 4.28Å; I659-I684 HydrophobicContact CG1-CG2 3.97Å; I659-L724 HydrophobicContact CD1-CD1 3.27Å; I659-L724 HydrophobicContact CD1-CG 4.36Å; I659-P728 HydrophobicContact CG2-CB 4.24Å; I659-P728 HydrophobicContact CG2-CG 3.92Å
660	T	97.9	Very high	95.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.7	-42.4	-176.5	-58.4	0	0	0	0	111.9	L624 F656 V657 K664 L732	L624-T660 HydrophobicContact CD1-CG2 4.22Å; F656-T660 WeakPolarHBondContact O-CB 3.32Å; F656-T660 PolarHBondContact O-N 3.03Å; F656-T660 PolarHBondContact O-OG1 2.76Å; V657-T660 PolarHBondContact O-N 3.39Å; T660-K664 VanDerWaalsContact O-CB 3.26Å; T660-K664 WeakPolarHBondContact O-CB 3.36Å; T660-K664 PolarHBondContact O-N 3.22Å; T660-L732 HydrophobicContact CG2-CD2 4.18Å; T660-L732 HydrophobicContact CG2-CG 4.24Å
661	V	97.8	Very high	95.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.5	-38.2	177.5	-57.5	0	0	0	0	111.8	Y530 Y533 K534 V537 T570 V657 V658 I659 K664 A665	Y530-V661 WeakPolarHBondContact CE2-O 3.34Å; Y530-V661 PolarHBondContact OH-O 3.22Å; Y533-V661 HydrophobicContact CE1-CB 4.36Å; Y533-V661 HydrophobicContact CE1-CG1 4.04Å; K534-V661 HydrophobicContact CB-CB 4.26Å; K534-V661 HydrophobicContact CB-CG1 4.17Å; V537-V661 HydrophobicContact CB-CG1 4.33Å; V537-V661 HydrophobicContact CG1-CG1 4.18Å; T570-V661 HydrophobicContact CG2-CG2 3.79Å; V657-V661 HydrophobicContact CG1-CG1 4.28Å; V657-V661 WeakPolarHBondContact O-CG1 3.26Å; V657-V661 WeakPolarHBondContact O-CG2 3.31Å; V657-V661 PolarHBondContact O-N 3.48Å; V658-V661 WeakPolarHBondContact O-CG2 3.48Å; I659-V661 PolarHBondContact O-N 3.09Å; V661-K664 WeakPolarHBondContact O-CB 3.44Å; V661-K664 PolarHBondContact O-N 2.9Å; V661-A665 PolarHBondContact O-N 2.7Å
662	C	97.4	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.6	-42.7	176.5	-68.5	0	0	0	0	111.8	V658 I659 A665 G666 I680 I684	V658-C662 WeakPolarHBondContact O-CB 3.44Å; V658-C662 PolarHBondContact O-N 2.91Å; V658-C662 PolarHBondContact O-SG 2.94Å; I659-C662 PolarHBondContact O-N 3.37Å; C662-A665 WeakPolarHBondContact O-CB 3.28Å; C662-A665 PolarHBondContact O-N 3.22Å; C662-G666 PolarHBondContact O-N 3.17Å; C662-G666 VanDerWaalsContact O-N 3.11Å; C662-I680 HydrophobicContact CB-CG2 4.16Å; C662-I684 HydrophobicContact CB-CD1 3.91Å; C662-I684 HydrophobicContact CB-CG1 3.87Å
663	L	96.9	Very high	95.3	Very high	55 Å²	55	19.2 Å²	19.2	29%	0.288	10%	0.101	S	C	.	.	H	α-helix	trans	-66.9	-36.7	174.3	-68.8	178.9	0	0	0	111.9	I659 A665 G666 L667 W681 P728 L732	I659-L663 HydrophobicContact CG2-CD1 3.74Å; I659-L663 HydrophobicContact CG2-CG 4.24Å; I659-L663 WeakPolarHBondContact O-CB 3.33Å; I659-L663 VanDerWaalsContact O-CG 3.29Å; I659-L663 WeakPolarHBondContact O-CG 3.21Å; I659-L663 PolarHBondContact O-N 3.35Å; L663-A665 VanDerWaalsContact C-N 3.32Å; L663-A665 PolarHBondContact O-N 2.9Å; L663-G666 PolarHBondContact O-N 3.01Å; L663-L667 PolarHBondContact O-N 3.43Å; L663-W681 HydrophobicContact CD2-CH2 3.86Å; L663-W681 HydrophobicContact CD2-CZ3 3.91Å; L663-P728 HydrophobicContact CD1-CB 4.24Å; L663-L732 HydrophobicContact CB-CD1 3.51Å; L663-L732 HydrophobicContact CD1-CD1 4.14Å
664	K	96.8	Very high	95.2	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.017	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-42.4	170.9	178.1	58.1	163	176.5	0	111.4	Y533 N616 T660 V661 G666 L667 E668 L732 D735	Y533-K664 HydrophobicContact CD1-CG 4.23Å; Y533-K664 HydrophobicContact CE1-CB 3.98Å; Y533-K664 HydrophobicContact CE1-CG 3.51Å; Y533-K664 HydrophobicContact CE2-CG 4.48Å; N616-K664 PolarHBondContact ND2-NZ 2.77Å; T660-K664 VanDerWaalsContact O-CB 3.26Å; T660-K664 WeakPolarHBondContact O-CB 3.36Å; T660-K664 PolarHBondContact O-N 3.22Å; V661-K664 WeakPolarHBondContact O-CB 3.44Å; V661-K664 PolarHBondContact O-N 2.9Å; K664-G666 VanDerWaalsContact C-N 3.31Å; K664-G666 PolarHBondContact O-N 3.45Å; K664-L667 HydrophobicContact CD-CD2 4.49Å; K664-L667 WeakPolarHBondContact O-CB 3.47Å; K664-L667 PolarHBondContact O-N 2.85Å; K664-L667 VanDerWaalsContact O-N 3.12Å; K664-E668 HydrophobicContact CD-CG 4.31Å; K664-E668 VanDerWaalsContact CE-OE1 3.24Å; K664-E668 WeakPolarHBondContact CE-OE1 3.43Å; K664-E668 IonicContact NZ-OE1 2.58Å; K664-E668 PolarHBondContact NZ-OE1 3.1Å; K664-E668 WeakPolarHBondContact O-CG 3.43Å; K664-E668 PolarHBondContact O-N 3.35Å; K664-L732 HydrophobicContact CB-CD2 3.9Å; K664-L732 HydrophobicContact CD-CD2 4.24Å; K664-D735 VanDerWaalsContact CD-OD2 3.3Å; K664-D735 WeakPolarHBondContact CD-OD2 3.23Å; K664-D735 WeakPolarHBondContact CE-OD2 3.46Å; K664-D735 IonicContact NZ-OD1 2.92Å; K664-D735 PolarHBondContact NZ-OD1 3.32Å; K664-D735 IonicContact NZ-OD2 2.77Å; K664-D735 PolarHBondContact NZ-OD2 2.85Å
665	A	96.3	Very high	95.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-46.6	174.1	0	0	0	0	0	110.9	Y530 P573 L577 V661 C662 L663 L667 E668 T669	Y530-A665 HydrophobicContact CD2-CB 4.26Å; Y530-A665 HydrophobicContact CE1-CB 4.4Å; Y530-A665 HydrophobicContact CE2-CB 3.56Å; P573-A665 HydrophobicContact CB-CB 3.71Å; L577-A665 HydrophobicContact CD1-CB 4.24Å; V661-A665 PolarHBondContact O-N 2.7Å; C662-A665 WeakPolarHBondContact O-CB 3.28Å; C662-A665 PolarHBondContact O-N 3.22Å; L663-A665 VanDerWaalsContact C-N 3.32Å; L663-A665 PolarHBondContact O-N 2.9Å; A665-L667 VanDerWaalsContact C-N 3.28Å; A665-L667 PolarHBondContact O-N 3.31Å; A665-E668 CarbonylContact O-C 3.53Å; A665-E668 WeakPolarHBondContact O-CA 3.39Å; A665-E668 PolarHBondContact O-N 3.5Å; A665-T669 PolarHBondContact O-N 3.36Å; A665-T669 PolarHBondContact O-OG1 2.93Å
666	G	95.5	Very high	95	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-36.4	174.7	0	0	0	0	0	113.8	C662 L663 K664 E668 T669 W672 I680	C662-G666 PolarHBondContact O-N 3.17Å; C662-G666 VanDerWaalsContact O-N 3.11Å; L663-G666 PolarHBondContact O-N 3.01Å; K664-G666 VanDerWaalsContact C-N 3.31Å; K664-G666 PolarHBondContact O-N 3.45Å; G666-E668 VanDerWaalsContact C-N 3.33Å; G666-T669 PolarHBondContact O-N 3.26Å; G666-W672 VanDerWaalsContact CA-CZ2 3.43Å; G666-W672 VanDerWaalsContact O-CZ2 3.24Å; G666-W672 WeakPolarHBondContact O-CZ2 3.37Å; G666-W672 PolarHBondContact O-NE1 2.9Å; G666-I680 VanDerWaalsContact CA-CD1 3.45Å
667	L	94.8	Very high	94.9	Very high	50 Å²	50	34.4 Å²	34.4	26%	0.262	17%	0.172	S	C	.	.	H	α-helix	trans	-69.3	-30.2	174.3	-175.2	62.9	0	0	0	112.4	L663 K664 A665 D735 V736 K739	L663-L667 PolarHBondContact O-N 3.43Å; K664-L667 HydrophobicContact CD-CD2 4.49Å; K664-L667 WeakPolarHBondContact O-CB 3.47Å; K664-L667 PolarHBondContact O-N 2.85Å; K664-L667 VanDerWaalsContact O-N 3.12Å; A665-L667 VanDerWaalsContact C-N 3.28Å; A665-L667 PolarHBondContact O-N 3.31Å; L667-D735 HydrophobicContact CD2-CB 3.66Å; L667-V736 HydrophobicContact CD1-CG2 3.94Å; L667-V736 HydrophobicContact CD2-CG2 3.84Å; L667-K739 HydrophobicContact CD1-CD 4.28Å; L667-K739 HydrophobicContact CD2-CD 4.49Å; L667-K739 HydrophobicContact CG-CD 4.07Å; L667-K739 PolarHBondContact O-NZ 3.39Å
668	E	92.9	Very high	94.8	Very high	28 Å²	28	39.4 Å²	39.4	13%	0.131	20%	0.197	C	C	.	.	H	α-helix	trans	-79.7	-23.8	175.2	-63.1	-51.9	143.4	0	0	114	K526 L577 K664 A665 G666 S670 K739	K526-E668 PolarHBondContact NZ-O 3.15Å; L577-E668 HydrophobicContact CD2-CB 4.49Å; K664-E668 HydrophobicContact CD-CG 4.31Å; K664-E668 VanDerWaalsContact CE-OE1 3.24Å; K664-E668 WeakPolarHBondContact CE-OE1 3.43Å; K664-E668 IonicContact NZ-OE1 2.58Å; K664-E668 PolarHBondContact NZ-OE1 3.1Å; K664-E668 WeakPolarHBondContact O-CG 3.43Å; K664-E668 PolarHBondContact O-N 3.35Å; A665-E668 CarbonylContact O-C 3.53Å; A665-E668 WeakPolarHBondContact O-CA 3.39Å; A665-E668 PolarHBondContact O-N 3.5Å; G666-E668 VanDerWaalsContact C-N 3.33Å; E668-S670 PolarHBondContact O-N 3.42Å; E668-K739 WeakPolarHBondContact OE1-CE 3.31Å; E668-K739 IonicContact OE1-NZ 3.9Å; E668-K739 PolarHBondContact OE1-NZ 2.79Å; E668-K739 VanDerWaalsContact OE2-CE 3.31Å; E668-K739 WeakPolarHBondContact OE2-CE 3.48Å; E668-K739 IonicContact OE2-NZ 3.47Å; E668-K739 PolarHBondContact OE2-NZ 3.38Å
669	T	93.3	Very high	94.7	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.074	20%	0.198	C	C	.	.			trans	-67.3	122.1	173.7	-57.2	0	0	0	0	111	L577 E581 A665 G666 S671 W672	L577-T669 WeakPolarHBondContact CD2-OG1 3.25Å; E581-T669 WeakPolarHBondContact OE2-CA 3.41Å; A665-T669 PolarHBondContact O-N 3.36Å; A665-T669 PolarHBondContact O-OG1 2.93Å; G666-T669 PolarHBondContact O-N 3.26Å; T669-S671 WeakPolarHBondContact CG2-O 3.15Å; T669-W672 HydrophobicContact CG2-CG 4.4Å
670	S	89.3	Confident	94.7	Very high	56 Å²	56	38.5 Å²	38.5	39%	0.392	19%	0.193	S	C	.	.	S	Bend	trans	-88.5	-32.1	175.1	-37.6	0	0	0	0	111.1	K526 E581 E668	K526-S670 PolarHBondContact NZ-OG 3.49Å; E581-S670 WeakPolarHBondContact OE1-CA 3.35Å; E581-S670 WeakPolarHBondContact OE1-CB 3.33Å; E581-S670 PolarHBondContact OE1-N 3.44Å; E581-S670 PolarHBondContact OE1-OG 2.81Å; E581-S670 PolarHBondContact OE2-N 3.39Å; E581-S670 VanDerWaalsContact OE2-N 3.14Å; E668-S670 PolarHBondContact O-N 3.42Å
671	S	88.3	Confident	94.6	Very high	13 Å²	13	45 Å²	45	9%	0.091	22%	0.218	C	C	.	.	S	Bend	trans	-119.5	100.2	-178.4	57.8	0	0	0	0	111.4	F580 R582 T669 T673	F580-S671 PolarHBondContact O-OG 3.1Å; R582-S671 VanDerWaalsContact CG-CB 3.48Å; R582-S671 VanDerWaalsContact CG-OG 3.28Å; R582-S671 WeakPolarHBondContact CG-OG 3.5Å; R582-S671 PolarHBondContact N-OG 3.1Å; T669-S671 WeakPolarHBondContact CG2-O 3.15Å; S671-T673 PolarHBondContact O-N 3.29Å
672	W	92.9	Very high	94.6	Very high	118 Å²	118	46.4 Å²	46.4	45%	0.447	23%	0.233	S	C	.	.			trans	-72.4	116.7	178	-76.8	77.5	0	0	0	111	G666 T669 H677 I680	G666-W672 VanDerWaalsContact CA-CZ2 3.43Å; G666-W672 VanDerWaalsContact O-CZ2 3.24Å; G666-W672 WeakPolarHBondContact O-CZ2 3.37Å; G666-W672 PolarHBondContact O-NE1 2.9Å; T669-W672 HydrophobicContact CG2-CG 4.4Å; W672-H677 AromaticContact CE3-CE1 3.26Å; W672-H677 AromaticContact CE3-ND1 3.56Å; W672-H677 AromaticContact CE3-NE2 3.69Å; W672-H677 AromaticContact CZ3-CE1 3.56Å; W672-H677 AromaticContact CZ3-ND1 3.51Å; W672-I680 HydrophobicContact CH2-CD1 3.53Å; W672-I680 HydrophobicContact CZ2-CD1 4.36Å; W672-I680 HydrophobicContact CZ3-CD1 3.62Å
673	T	92.2	Very high	94.6	Very high	35 Å²	35	46.4 Å²	46.4	22%	0.215	23%	0.233	C	C	.	.			trans	-113.3	164.3	174.9	62.5	0	0	0	0	110.2	F580 S671 F675 S676 H677	F580-T673 HydrophobicContact CB-CG2 4.46Å; S671-T673 PolarHBondContact O-N 3.29Å; T673-F675 PolarHBondContact O-N 3.05Å; T673-S676 WeakPolarHBondContact O-CB 3.44Å; T673-S676 PolarHBondContact O-N 3.44Å; T673-S676 PolarHBondContact OG1-N 2.87Å; T673-H677 PolarHBondContact O-CD2 3.47Å; T673-H677 PolarHBondContact O-N 3.23Å; T673-H677 VanDerWaalsContact O-N 3.09Å
674	M	94.1	Very high	94.6	Very high	137 Å²	137	45.1 Å²	45.1	68%	0.675	23%	0.226	S	C	*	.	H	α-helix	trans	-56.2	-37	173.4	-69.2	-55.2	-63.2	0	0	112.2	H677 I678	M674-H677 PolarHBondContact O-N 2.93Å; M674-I678 WeakPolarHBondContact O-CG1 3.27Å; M674-I678 PolarHBondContact O-N 3.48Å
675	F	94.6	Very high	94.6	Very high	116 Å²	116	46.5 Å²	46.5	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-38.9	175.3	-59.3	-67.4	0	0	0	112.4	T576 F580 T673 I678 A679	T576-F675 HydrophobicContact CG2-CB 4.42Å; F580-F675 HydrophobicContact CD1-CD2 4.2Å; F580-F675 HydrophobicContact CD2-CB 3.78Å; F580-F675 HydrophobicContact CD2-CD2 4.25Å; F580-F675 HydrophobicContact CD2-CG 4.24Å; F580-F675 AromaticContact CE1-CD2 3.8Å; F580-F675 HydrophobicContact CE1-CD2 3.8Å; F580-F675 HydrophobicContact CE1-CE2 4.07Å; F580-F675 HydrophobicContact CE1-CG 4.48Å; F580-F675 HydrophobicContact CE2-CB 3.64Å; F580-F675 HydrophobicContact CE2-CD1 4.44Å; F580-F675 AromaticContact CE2-CD2 3.86Å; F580-F675 HydrophobicContact CE2-CD2 3.86Å; F580-F675 AromaticContact CE2-CG 3.73Å; F580-F675 HydrophobicContact CE2-CG 3.73Å; F580-F675 HydrophobicContact CG-CD2 4.4Å; F580-F675 HydrophobicContact CZ-CB 4.28Å; F580-F675 HydrophobicContact CZ-CD1 4.46Å; F580-F675 AromaticContact CZ-CD2 3.61Å; F580-F675 HydrophobicContact CZ-CD2 3.61Å; F580-F675 HydrophobicContact CZ-CE2 4.02Å; F580-F675 AromaticContact CZ-CG 3.86Å; F580-F675 HydrophobicContact CZ-CG 3.86Å; T673-F675 PolarHBondContact O-N 3.05Å; F675-I678 PolarHBondContact O-N 3.05Å; F675-A679 WeakPolarHBondContact O-CB 3.3Å; F675-A679 PolarHBondContact O-N 3.2Å
676	S	93.4	Very high	94.6	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-40	175.8	-161.7	0	0	0	0	111.7	T673 A679 I680	T673-S676 WeakPolarHBondContact O-CB 3.44Å; T673-S676 PolarHBondContact O-N 3.44Å; T673-S676 PolarHBondContact OG1-N 2.87Å; S676-A679 PolarHBondContact O-N 3.38Å; S676-I680 WeakPolarHBondContact O-CG1 3.06Å; S676-I680 PolarHBondContact O-N 2.79Å
677	H	95.1	Very high	94.6	Very high	69 Å²	69	49.3 Å²	49.3	32%	0.319	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-47	172.3	-76.5	-60.4	0	0	0	112.6	W672 T673 M674 A679 I680 W681	W672-H677 AromaticContact CE3-CE1 3.26Å; W672-H677 AromaticContact CE3-ND1 3.56Å; W672-H677 AromaticContact CE3-NE2 3.69Å; W672-H677 AromaticContact CZ3-CE1 3.56Å; W672-H677 AromaticContact CZ3-ND1 3.51Å; T673-H677 PolarHBondContact O-CD2 3.47Å; T673-H677 PolarHBondContact O-N 3.23Å; T673-H677 VanDerWaalsContact O-N 3.09Å; M674-H677 PolarHBondContact O-N 2.93Å; H677-A679 VanDerWaalsContact C-N 3.29Å; H677-A679 PolarHBondContact O-N 3.41Å; H677-I680 PolarHBondContact O-N 2.99Å; H677-W681 AromaticContact ND1-CD1 3.88Å; H677-W681 AromaticContact ND1-NE1 3.28Å; H677-W681 PolarHBondContact ND1-NE1 3.45Å; H677-W681 WeakPolarHBondContact O-CB 3.36Å; H677-W681 PolarHBondContact O-N 3.31Å
678	I	96.3	Very high	94.6	Very high	104 Å²	104	49.1 Å²	49.1	53%	0.533	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-41.7	177.3	-68.6	166.5	0	0	0	110.4	M674 F675 G682	M674-I678 WeakPolarHBondContact O-CG1 3.27Å; M674-I678 PolarHBondContact O-N 3.48Å; F675-I678 PolarHBondContact O-N 3.05Å; I678-G682 WeakPolarHBondContact O-CA 3.37Å; I678-G682 PolarHBondContact O-N 2.98Å
679	A	96	Very high	94.8	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-48.3	179.1	0	0	0	0	0	112.7	L572 T576 F675 S676 H677 S683	L572-A679 HydrophobicContact CB-CB 3.7Å; T576-A679 HydrophobicContact CG2-CB 3.39Å; F675-A679 WeakPolarHBondContact O-CB 3.3Å; F675-A679 PolarHBondContact O-N 3.2Å; S676-A679 PolarHBondContact O-N 3.38Å; H677-A679 VanDerWaalsContact C-N 3.29Å; H677-A679 PolarHBondContact O-N 3.41Å; A679-S683 WeakPolarHBondContact O-CB 3.21Å; A679-S683 PolarHBondContact O-N 3.37Å; A679-S683 PolarHBondContact O-OG 2.85Å; A679-S683 VanDerWaalsContact O-OG 3.12Å
680	I	96.4	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-55.2	-175.8	-66.5	165.6	0	0	0	110.7	C662 G666 W672 S676 H677 S683 I684	C662-I680 HydrophobicContact CB-CG2 4.16Å; G666-I680 VanDerWaalsContact CA-CD1 3.45Å; W672-I680 HydrophobicContact CH2-CD1 3.53Å; W672-I680 HydrophobicContact CZ2-CD1 4.36Å; W672-I680 HydrophobicContact CZ3-CD1 3.62Å; S676-I680 WeakPolarHBondContact O-CG1 3.06Å; S676-I680 PolarHBondContact O-N 2.79Å; H677-I680 PolarHBondContact O-N 2.99Å; I680-S683 PolarHBondContact O-N 3.35Å; I680-I684 WeakPolarHBondContact O-CG1 3.32Å; I680-I684 PolarHBondContact O-N 2.94Å
681	W	97.2	Very high	95.1	Very high	135 Å²	135	50.3 Å²	50.3	51%	0.511	26%	0.259	S	S	.	.	H	α-helix	trans	-74.5	-35.5	-176.3	-53.6	129.9	0	0	0	112	L663 H677 I684 G685	L663-W681 HydrophobicContact CD2-CH2 3.86Å; L663-W681 HydrophobicContact CD2-CZ3 3.91Å; H677-W681 AromaticContact ND1-CD1 3.88Å; H677-W681 AromaticContact ND1-NE1 3.28Å; H677-W681 PolarHBondContact ND1-NE1 3.45Å; H677-W681 WeakPolarHBondContact O-CB 3.36Å; H677-W681 PolarHBondContact O-N 3.31Å; W681-I684 HydrophobicContact CE3-CD1 4.02Å; W681-I684 HydrophobicContact CZ3-CD1 4.16Å; W681-I684 PolarHBondContact O-N 3.23Å; W681-G685 PolarHBondContact O-N 3.4Å
682	G	96.7	Very high	95.4	Very high	31 Å²	31	53.3 Å²	53.3	32%	0.32	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-40.9	174.2	0	0	0	0	0	111.9	I678 G685 L686	I678-G682 WeakPolarHBondContact O-CA 3.37Å; I678-G682 PolarHBondContact O-N 2.98Å; G682-G685 PolarHBondContact O-N 3.33Å; G682-L686 WeakPolarHBondContact O-CB 3.42Å; G682-L686 PolarHBondContact O-N 3.49Å
683	S	97.3	Very high	95.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-45.3	173.7	-89.8	0	0	0	0	113.1	F569 P573 A679 I680 L686 W687	F569-S683 WeakPolarHBondContact O-CB 3.43Å; F569-S683 PolarHBondContact O-OG 3.44Å; P573-S683 WeakPolarHBondContact CD-OG 3.44Å; A679-S683 WeakPolarHBondContact O-CB 3.21Å; A679-S683 PolarHBondContact O-N 3.37Å; A679-S683 PolarHBondContact O-OG 2.85Å; A679-S683 VanDerWaalsContact O-OG 3.12Å; I680-S683 PolarHBondContact O-N 3.35Å; S683-L686 PolarHBondContact O-N 3.17Å; S683-W687 PolarHBondContact O-N 3.39Å; S683-W687 VanDerWaalsContact O-N 3.13Å
684	I	96.6	Very high	95.4	Very high	27 Å²	27	51.2 Å²	51.2	14%	0.138	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-48.2	177.8	-65.9	169.2	0	0	0	110.4	I659 C662 I680 W681 L686 W687 V688	I659-I684 HydrophobicContact CG1-CD1 4.39Å; I659-I684 HydrophobicContact CG1-CG1 4.28Å; I659-I684 HydrophobicContact CG1-CG2 3.97Å; C662-I684 HydrophobicContact CB-CD1 3.91Å; C662-I684 HydrophobicContact CB-CG1 3.87Å; I680-I684 WeakPolarHBondContact O-CG1 3.32Å; I680-I684 PolarHBondContact O-N 2.94Å; W681-I684 HydrophobicContact CE3-CD1 4.02Å; W681-I684 HydrophobicContact CZ3-CD1 4.16Å; W681-I684 PolarHBondContact O-N 3.23Å; I684-L686 VanDerWaalsContact C-N 3.32Å; I684-L686 PolarHBondContact O-N 3.1Å; I684-W687 PolarHBondContact O-N 2.87Å; I684-V688 WeakPolarHBondContact O-CG2 3.22Å; I684-V688 PolarHBondContact O-N 3.29Å; I684-V688 VanDerWaalsContact O-N 3.16Å
685	G	96.6	Very high	95.3	Very high	33 Å²	33	44.8 Å²	44.8	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-40.1	178.1	0	0	0	0	0	112.5	W681 G682 W687 V688 V689	W681-G685 PolarHBondContact O-N 3.4Å; G682-G685 PolarHBondContact O-N 3.33Å; G685-W687 PolarHBondContact O-N 3.12Å; G685-V688 PolarHBondContact O-N 3.09Å; G685-V689 WeakPolarHBondContact O-CB 3.43Å; G685-V689 VanDerWaalsContact O-CG2 3.3Å; G685-V689 WeakPolarHBondContact O-CG2 3.48Å; G685-V689 PolarHBondContact O-N 3.23Å
686	L	96.7	Very high	95.1	Very high	65 Å²	65	42.8 Å²	42.8	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-41.1	178.3	-176.8	63.1	0	0	0	111.9	L568 F569 G682 S683 I684 F690	L568-L686 HydrophobicContact CD1-CD2 3.77Å; L568-L686 HydrophobicContact CG-CD2 3.76Å; L568-L686 HydrophobicContact CG-CG 4.42Å; F569-L686 HydrophobicContact CD1-CG 4.36Å; G682-L686 WeakPolarHBondContact O-CB 3.42Å; G682-L686 PolarHBondContact O-N 3.49Å; S683-L686 PolarHBondContact O-N 3.17Å; I684-L686 VanDerWaalsContact C-N 3.32Å; I684-L686 PolarHBondContact O-N 3.1Å; L686-F690 WeakPolarHBondContact O-CB 3.41Å; L686-F690 PolarHBondContact O-N 3.3Å
687	W	96.6	Very high	94.9	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-49.2	172.8	164.4	-113.8	0	0	0	111.7	F569 Y654 T655 V658 S683 I684 G685 V689 F690 F691	F569-W687 HydrophobicContact CD1-CB 4.21Å; F569-W687 HydrophobicContact CD1-CE3 4.36Å; F569-W687 AromaticContact CD2-CE3 3.98Å; F569-W687 HydrophobicContact CD2-CE3 3.98Å; F569-W687 HydrophobicContact CD2-CZ3 4.49Å; F569-W687 HydrophobicContact CE1-CE3 4.19Å; F569-W687 AromaticContact CE2-CE3 3.76Å; F569-W687 HydrophobicContact CE2-CE3 3.76Å; F569-W687 AromaticContact CE2-CZ3 3.97Å; F569-W687 HydrophobicContact CE2-CZ3 3.97Å; F569-W687 HydrophobicContact CG-CB 4.43Å; F569-W687 HydrophobicContact CG-CE3 4.28Å; F569-W687 AromaticContact CZ-CE3 3.9Å; F569-W687 HydrophobicContact CZ-CE3 3.9Å; F569-W687 HydrophobicContact CZ-CZ3 4.25Å; Y654-W687 AromaticContact CD1-CD2 3.89Å; Y654-W687 HydrophobicContact CD1-CD2 3.89Å; Y654-W687 AromaticContact CD1-CE2 3.62Å; Y654-W687 AromaticContact CD1-CE3 3.9Å; Y654-W687 HydrophobicContact CD1-CE3 3.9Å; Y654-W687 AromaticContact CD1-CH2 3.38Å; Y654-W687 HydrophobicContact CD1-CH2 3.38Å; Y654-W687 AromaticContact CD1-CZ2 3.37Å; Y654-W687 HydrophobicContact CD1-CZ2 3.37Å; Y654-W687 AromaticContact CD1-CZ3 3.65Å; Y654-W687 HydrophobicContact CD1-CZ3 3.65Å; Y654-W687 AromaticContact CE1-CD2 3.85Å; Y654-W687 HydrophobicContact CE1-CD2 3.85Å; Y654-W687 AromaticContact CE1-CE3 3.5Å; Y654-W687 HydrophobicContact CE1-CE3 3.5Å; Y654-W687 AromaticContact CE1-CH2 3.68Å; Y654-W687 HydrophobicContact CE1-CH2 3.68Å; Y654-W687 HydrophobicContact CE1-CZ2 4.02Å; Y654-W687 AromaticContact CE1-CZ3 3.4Å; Y654-W687 HydrophobicContact CE1-CZ3 3.4Å; Y654-W687 VanDerWaalsContact CE1-CZ3 3.4Å; Y654-W687 HydrophobicContact CG-CH2 4.14Å; Y654-W687 HydrophobicContact CG-CZ2 4.19Å; T655-W687 PolarHBondContact OG1-NE1 3.38Å; V658-W687 HydrophobicContact CG1-CB 4.08Å; V658-W687 HydrophobicContact CG1-CG 4.39Å; V658-W687 HydrophobicContact CG2-CG 4.31Å; S683-W687 PolarHBondContact O-N 3.39Å; S683-W687 VanDerWaalsContact O-N 3.13Å; I684-W687 PolarHBondContact O-N 2.87Å; G685-W687 PolarHBondContact O-N 3.12Å; W687-V689 PolarHBondContact O-N 3.07Å; W687-F690 HydrophobicContact CE3-CD1 4.11Å; W687-F690 AromaticContact CZ3-CD1 3.91Å; W687-F690 HydrophobicContact CZ3-CD1 3.91Å; W687-F690 HydrophobicContact CZ3-CE1 4.24Å; W687-F690 PolarHBondContact O-N 2.99Å; W687-F691 HydrophobicContact CH2-CB 4.3Å; W687-F691 HydrophobicContact CH2-CD2 4.2Å; W687-F691 HydrophobicContact CH2-CG 4.4Å; W687-F691 HydrophobicContact CZ2-CB 4.16Å; W687-F691 HydrophobicContact CZ2-CD2 4.29Å; W687-F691 HydrophobicContact CZ2-CG 4.16Å; W687-F691 WeakPolarHBondContact O-CB 3.24Å; W687-F691 PolarHBondContact O-N 2.97Å
688	V	95.3	Very high	94.6	Very high	46 Å²	46	46 Å²	46	28%	0.279	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-45.4	-178.7	173	0	0	0	0	111.3	I684 G685 F691 I692 F715	I684-V688 WeakPolarHBondContact O-CG2 3.22Å; I684-V688 PolarHBondContact O-N 3.29Å; I684-V688 VanDerWaalsContact O-N 3.16Å; G685-V688 PolarHBondContact O-N 3.09Å; V688-F691 PolarHBondContact O-N 3.49Å; V688-I692 HydrophobicContact CG1-CD1 3.96Å; V688-I692 WeakPolarHBondContact O-CG1 3.32Å; V688-I692 PolarHBondContact O-N 3.42Å; V688-F715 HydrophobicContact CG1-CZ 4.14Å
689	V	96	Very high	94	Very high	80 Å²	80	45.7 Å²	45.7	49%	0.485	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-46.7	177.5	171.4	0	0	0	0	110.9	G685 W687 F691 I692 I693	G685-V689 WeakPolarHBondContact O-CB 3.43Å; G685-V689 VanDerWaalsContact O-CG2 3.3Å; G685-V689 WeakPolarHBondContact O-CG2 3.48Å; G685-V689 PolarHBondContact O-N 3.23Å; W687-V689 PolarHBondContact O-N 3.07Å; V689-F691 VanDerWaalsContact C-N 3.32Å; V689-F691 PolarHBondContact O-N 3.24Å; V689-I692 PolarHBondContact O-N 3.24Å; V689-I693 HydrophobicContact CG1-CD1 3.73Å; V689-I693 WeakPolarHBondContact O-CG1 3.29Å; V689-I693 PolarHBondContact O-N 2.7Å
690	F	95.3	Very high	93.5	Very high	40 Å²	40	52.7 Å²	52.7	18%	0.175	29%	0.288	C	S	.	.	H	α-helix	trans	-56.9	-47.7	176	172.4	-93.7	0	0	0	111	L564 F569 L686 W687 I692 I693 Y694	L564-F690 HydrophobicContact CD1-CE1 4.42Å; L564-F690 HydrophobicContact CD1-CE2 3.66Å; L564-F690 HydrophobicContact CD1-CZ 3.59Å; F569-F690 HydrophobicContact CE1-CB 3.73Å; F569-F690 AromaticContact CE1-CD1 3.92Å; F569-F690 HydrophobicContact CE1-CD1 3.92Å; F569-F690 HydrophobicContact CE1-CD2 4.28Å; F569-F690 AromaticContact CE1-CG 3.7Å; F569-F690 HydrophobicContact CE1-CG 3.7Å; F569-F690 HydrophobicContact CE2-CD1 4.26Å; F569-F690 HydrophobicContact CE2-CE1 4.37Å; F569-F690 HydrophobicContact CZ-CB 4.08Å; F569-F690 AromaticContact CZ-CD1 3.34Å; F569-F690 HydrophobicContact CZ-CD1 3.34Å; F569-F690 HydrophobicContact CZ-CD2 4.04Å; F569-F690 AromaticContact CZ-CE1 3.7Å; F569-F690 HydrophobicContact CZ-CE1 3.7Å; F569-F690 HydrophobicContact CZ-CE2 4.35Å; F569-F690 AromaticContact CZ-CG 3.53Å; F569-F690 HydrophobicContact CZ-CG 3.53Å; F569-F690 HydrophobicContact CZ-CZ 4.19Å; L686-F690 WeakPolarHBondContact O-CB 3.41Å; L686-F690 PolarHBondContact O-N 3.3Å; W687-F690 HydrophobicContact CE3-CD1 4.11Å; W687-F690 AromaticContact CZ3-CD1 3.91Å; W687-F690 HydrophobicContact CZ3-CD1 3.91Å; W687-F690 HydrophobicContact CZ3-CE1 4.24Å; W687-F690 PolarHBondContact O-N 2.99Å; F690-I692 PolarHBondContact O-N 3.13Å; F690-I693 PolarHBondContact O-N 2.75Å; F690-Y694 HydrophobicContact CE1-CD1 4.16Å; F690-Y694 HydrophobicContact CE1-CG 4.04Å; F690-Y694 HydrophobicContact CE2-CD2 4.28Å; F690-Y694 HydrophobicContact CE2-CG 4.46Å; F690-Y694 HydrophobicContact CZ-CD1 4.2Å; F690-Y694 AromaticContact CZ-CD2 3.9Å; F690-Y694 HydrophobicContact CZ-CD2 3.9Å; F690-Y694 HydrophobicContact CZ-CE2 4.35Å; F690-Y694 AromaticContact CZ-CG 3.83Å; F690-Y694 HydrophobicContact CZ-CG 3.83Å; F690-Y694 WeakPolarHBondContact O-CB 3.45Å; F690-Y694 PolarHBondContact O-N 2.87Å
691	F	94.7	Very high	93	Very high	1 Å²	1	57 Å²	57	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-42.1	-177.8	-177.9	-127.9	0	0	0	112.6	N651 W687 V688 V689 A695 M707 Q710 A711 M714 F715	N651-F691 HydrophobicContact CB-CE2 4.04Å; N651-F691 HydrophobicContact CB-CZ 3.78Å; N651-F691 VanDerWaalsContact CG-CE2 3.48Å; W687-F691 HydrophobicContact CH2-CB 4.3Å; W687-F691 HydrophobicContact CH2-CD2 4.2Å; W687-F691 HydrophobicContact CH2-CG 4.4Å; W687-F691 HydrophobicContact CZ2-CB 4.16Å; W687-F691 HydrophobicContact CZ2-CD2 4.29Å; W687-F691 HydrophobicContact CZ2-CG 4.16Å; W687-F691 WeakPolarHBondContact O-CB 3.24Å; W687-F691 PolarHBondContact O-N 2.97Å; V688-F691 PolarHBondContact O-N 3.49Å; V689-F691 VanDerWaalsContact C-N 3.32Å; V689-F691 PolarHBondContact O-N 3.24Å; F691-A695 WeakPolarHBondContact O-CB 3.25Å; F691-A695 PolarHBondContact O-N 3.46Å; F691-M707 HydrophobicContact CE2-SD 4.06Å; F691-Q710 HydrophobicContact CE2-CB 4.2Å; F691-Q710 HydrophobicContact CZ-CB 4.02Å; F691-A711 HydrophobicContact CD1-CB 3.91Å; F691-A711 VanDerWaalsContact CE1-CA 3.43Å; F691-A711 HydrophobicContact CE1-CB 3.7Å; F691-A711 HydrophobicContact CG-CB 4.48Å; F691-A711 HydrophobicContact CZ-CB 4.1Å; F691-M714 HydrophobicContact CD1-CE 3.67Å; F691-M714 HydrophobicContact CE1-CB 4.18Å; F691-M714 HydrophobicContact CE1-CE 3.28Å; F691-M714 HydrophobicContact CE1-SD 3.69Å; F691-M714 HydrophobicContact CZ-CE 4.31Å; F691-M714 HydrophobicContact CZ-SD 4.17Å; F691-F715 HydrophobicContact CD1-CE2 4.35Å; F691-F715 HydrophobicContact CD1-CZ 4.17Å
692	I	94.2	Very high	92.4	Very high	75 Å²	75	56.7 Å²	56.7	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-47.5	176.1	-68.9	165.3	0	0	0	111.3	V688 V689 F690 S696 F715	V688-I692 HydrophobicContact CG1-CD1 3.96Å; V688-I692 WeakPolarHBondContact O-CG1 3.32Å; V688-I692 PolarHBondContact O-N 3.42Å; V689-I692 PolarHBondContact O-N 3.24Å; F690-I692 PolarHBondContact O-N 3.13Å; I692-S696 PolarHBondContact O-N 3Å; I692-S696 PolarHBondContact O-OG 3.09Å; I692-F715 HydrophobicContact CD1-CE2 4.01Å; I692-F715 HydrophobicContact CG1-CE2 3.64Å; I692-F715 HydrophobicContact CG1-CZ 4.4Å
693	I	93.1	Very high	91.7	Very high	97 Å²	97	58.4 Å²	58.4	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-50.2	-179.6	-66.5	170.6	0	0	0	109.4	V689 F690 A695 S696 L697	V689-I693 HydrophobicContact CG1-CD1 3.73Å; V689-I693 WeakPolarHBondContact O-CG1 3.29Å; V689-I693 PolarHBondContact O-N 2.7Å; F690-I693 PolarHBondContact O-N 2.75Å; I693-A695 PolarHBondContact O-N 2.64Å; I693-S696 PolarHBondContact O-N 3.48Å; I693-L697 HydrophobicContact CG2-CD2 4.22Å; I693-L697 WeakPolarHBondContact O-CG 3.43Å; I693-L697 PolarHBondContact O-N 2.89Å
694	Y	92.1	Very high	91	Very high	12 Å²	12	58.9 Å²	58.9	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-41.5	-175.6	-164.3	-117.6	0	0	0	112.5	F690 S696 L697 L703 A704 M707	F690-Y694 HydrophobicContact CE1-CD1 4.16Å; F690-Y694 HydrophobicContact CE1-CG 4.04Å; F690-Y694 HydrophobicContact CE2-CD2 4.28Å; F690-Y694 HydrophobicContact CE2-CG 4.46Å; F690-Y694 HydrophobicContact CZ-CD1 4.2Å; F690-Y694 AromaticContact CZ-CD2 3.9Å; F690-Y694 HydrophobicContact CZ-CD2 3.9Å; F690-Y694 HydrophobicContact CZ-CE2 4.35Å; F690-Y694 AromaticContact CZ-CG 3.83Å; F690-Y694 HydrophobicContact CZ-CG 3.83Å; F690-Y694 WeakPolarHBondContact O-CB 3.45Å; F690-Y694 PolarHBondContact O-N 2.87Å; Y694-S696 PolarHBondContact O-N 3.39Å; Y694-L697 HydrophobicContact CD2-CD1 3.67Å; Y694-L697 HydrophobicContact CE2-CD1 4.2Å; Y694-L697 PolarHBondContact O-N 3.48Å; Y694-L703 HydrophobicContact CE2-CD2 3.97Å; Y694-L703 HydrophobicContact CE2-CG 4.31Å; Y694-A704 HydrophobicContact CD1-CB 4.38Å; Y694-A704 HydrophobicContact CE1-CB 3.64Å; Y694-A704 HydrophobicContact CE2-CB 3.94Å; Y694-A704 WeakPolarHBondContact OH-CB 3.31Å; Y694-M707 HydrophobicContact CD1-CB 4.17Å; Y694-M707 HydrophobicContact CD1-CG 3.88Å; Y694-M707 HydrophobicContact CE1-CB 4.28Å; Y694-M707 HydrophobicContact CE1-CG 3.78Å
695	A	91.1	Very high	90.5	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.9	176.4	0	0	0	0	0	114.6	F691 I693 M707 G709 A711	F691-A695 WeakPolarHBondContact O-CB 3.25Å; F691-A695 PolarHBondContact O-N 3.46Å; I693-A695 PolarHBondContact O-N 2.64Å; A695-M707 VanDerWaalsContact CA-O 3.29Å; A695-M707 WeakPolarHBondContact CA-O 3.37Å; A695-M707 VanDerWaalsContact CB-O 3.3Å; A695-M707 WeakPolarHBondContact CB-O 3.31Å; A695-G709 PolarHBondContact O-N 3.21Å; A695-A711 HydrophobicContact CB-CB 3.6Å
696	S	90.5	Very high	90	Very high	74 Å²	74	64.6 Å²	64.6	52%	0.517	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-2.3	179.3	-51.9	0	0	0	0	113.4	I692 I693 Y694	I692-S696 PolarHBondContact O-N 3Å; I692-S696 PolarHBondContact O-OG 3.09Å; I693-S696 PolarHBondContact O-N 3.48Å; Y694-S696 PolarHBondContact O-N 3.39Å
697	L	90	Very high	89.6	Confident	36 Å²	36	61.6 Å²	61.6	19%	0.188	34%	0.34	C	S	.	.			trans	-69	-40.2	-175.8	-66.5	179.3	0	0	0	112.2	I693 Y694 I700 I701 L703	I693-L697 HydrophobicContact CG2-CD2 4.22Å; I693-L697 WeakPolarHBondContact O-CG 3.43Å; I693-L697 PolarHBondContact O-N 2.89Å; Y694-L697 HydrophobicContact CD2-CD1 3.67Å; Y694-L697 HydrophobicContact CE2-CD1 4.2Å; Y694-L697 PolarHBondContact O-N 3.48Å; L697-I700 CarbonylContact O-C 3.52Å; L697-I700 WeakPolarHBondContact O-CA 3.38Å; L697-I700 WeakPolarHBondContact O-CB 3.22Å; L697-I700 PolarHBondContact O-N 2.88Å; L697-I701 HydrophobicContact CB-CB 4.4Å; L697-I701 HydrophobicContact CD2-CD1 3.9Å; L697-I701 PolarHBondContact O-N 3.23Å; L697-L703 HydrophobicContact CD1-CD2 4.1Å
698	W	87.7	Confident	89.3	Confident	103 Å²	103	64 Å²	64	39%	0.39	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	134.9	178.1	-178.2	-95	0	0	0	111.1	T702 P705	W698-T702 HydrophobicContact CZ3-CG2 4.14Å; W698-P705 HydrophobicContact CD2-CB 4.14Å; W698-P705 HydrophobicContact CE3-CB 4.27Å
699	P	83.6	Confident	88.9	Confident	97 Å²	97	63.1 Å²	63.1	63%	0.63	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.8	6.9	4.7	37.3	-35.7	0	0	0	115.1	I701	P699-I701 PolarHBondContact O-N 3.46Å
700	I	86.1	Confident	88.6	Confident	151 Å²	151	59.6 Å²	59.6	77%	0.774	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-42.4	-175.4	-61.7	163.9	0	0	0	111.2	L697	L697-I700 CarbonylContact O-C 3.52Å; L697-I700 WeakPolarHBondContact O-CA 3.38Å; L697-I700 WeakPolarHBondContact O-CB 3.22Å; L697-I700 PolarHBondContact O-N 2.88Å
701	I	85.4	Confident	88.5	Confident	91 Å²	91	58 Å²	58	47%	0.467	33%	0.329	S	S	.	.	S	Bend	trans	-116.7	132.6	172.3	-67.1	163.8	0	0	0	106.7	L697 P699 L703	L697-I701 HydrophobicContact CB-CB 4.4Å; L697-I701 HydrophobicContact CD2-CD1 3.9Å; L697-I701 PolarHBondContact O-N 3.23Å; P699-I701 PolarHBondContact O-N 3.46Å; I701-L703 HydrophobicContact CG2-CB 3.91Å; I701-L703 PolarHBondContact O-N 3.38Å
702	T	84.8	Confident	88.2	Confident	127 Å²	127	68 Å²	68	78%	0.779	37%	0.367	S	S	*	.	S	Bend	trans	-75.4	54.5	-179.1	49.3	0	0	0	0	112.4	W698	W698-T702 HydrophobicContact CZ3-CG2 4.14Å
703	L	82.5	Confident	88	Confident	67 Å²	67	68.2 Å²	68.2	35%	0.351	37%	0.367	S	S	.	.	S	Bend	trans	-131.6	140.3	179.8	-172.3	67.1	0	0	0	109.3	Y694 L697 I701	Y694-L703 HydrophobicContact CE2-CD2 3.97Å; Y694-L703 HydrophobicContact CE2-CG 4.31Å; L697-L703 HydrophobicContact CD1-CD2 4.1Å; I701-L703 HydrophobicContact CG2-CB 3.91Å; I701-L703 PolarHBondContact O-N 3.38Å
704	A	82.4	Confident	87.9	Confident	11 Å²	11	63.6 Å²	63.6	9%	0.091	34%	0.344	C	S	.	.			trans	54.7	59.2	173.1	0	0	0	0	0	115.1	Y694 D706 M707	Y694-A704 HydrophobicContact CD1-CB 4.38Å; Y694-A704 HydrophobicContact CE1-CB 3.64Å; Y694-A704 HydrophobicContact CE2-CB 3.94Å; Y694-A704 WeakPolarHBondContact OH-CB 3.31Å; A704-D706 PolarHBondContact O-N 3.2Å; A704-M707 HydrophobicContact CB-CB 4.01Å; A704-M707 HydrophobicContact CB-CG 4.41Å; A704-M707 PolarHBondContact O-N 3Å; A704-M707 VanDerWaalsContact O-N 3.1Å
705	P	85.7	Confident	87.9	Confident	68 Å²	68	65.7 Å²	65.7	44%	0.442	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-57.7	-36	178.4	25.9	-34.2	0	0	0	112.1	W698 M707 S708	W698-P705 HydrophobicContact CD2-CB 4.14Å; W698-P705 HydrophobicContact CE3-CB 4.27Å; P705-M707 VanDerWaalsContact C-N 3.27Å; P705-M707 PolarHBondContact O-N 3.47Å; P705-S708 VanDerWaalsContact O-CB 3.27Å; P705-S708 WeakPolarHBondContact O-CB 3.37Å; P705-S708 PolarHBondContact O-N 2.93Å
706	D	86.3	Confident	87.8	Confident	112 Å²	112	69.1 Å²	69.1	60%	0.599	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-68.9	-23.5	-178.5	-49.3	-34.3	0	0	0	112.8	L647 A704 S708	L647-D706 HydrophobicContact CD2-CB 3.82Å; L647-D706 VanDerWaalsContact CD2-O 3.26Å; L647-D706 WeakPolarHBondContact CD2-O 3.21Å; A704-D706 PolarHBondContact O-N 3.2Å; D706-S708 VanDerWaalsContact C-N 3.34Å
707	M	88.4	Confident	87.8	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-85.4	-5.3	178.8	-80.8	-66.7	168.6	0	0	114.2	E558 L647 N651 F691 Y694 A695 A704 P705 G709 Q710	E558-M707 HydrophobicContact CB-CE 3.24Å; E558-M707 HydrophobicContact CG-CE 3.74Å; E558-M707 HydrophobicContact CG-CG 4.14Å; L647-M707 HydrophobicContact CD1-CE 3.69Å; L647-M707 HydrophobicContact CD2-CE 3.68Å; L647-M707 HydrophobicContact CD2-CG 4.42Å; L647-M707 HydrophobicContact CD2-SD 4.05Å; L647-M707 HydrophobicContact CG-CE 3.65Å; L647-M707 HydrophobicContact CG-SD 4.38Å; N651-M707 WeakPolarHBondContact ND2-CE 3.11Å; N651-M707 PolarHBondContact ND2-SD 2.84Å; N651-M707 VanDerWaalsContact ND2-SD 3.38Å; N651-M707 WeakPolarHBondContact OD1-CE 3.12Å; F691-M707 HydrophobicContact CE2-SD 4.06Å; Y694-M707 HydrophobicContact CD1-CB 4.17Å; Y694-M707 HydrophobicContact CD1-CG 3.88Å; Y694-M707 HydrophobicContact CE1-CB 4.28Å; Y694-M707 HydrophobicContact CE1-CG 3.78Å; A695-M707 VanDerWaalsContact CA-O 3.29Å; A695-M707 WeakPolarHBondContact CA-O 3.37Å; A695-M707 VanDerWaalsContact CB-O 3.3Å; A695-M707 WeakPolarHBondContact CB-O 3.31Å; A704-M707 HydrophobicContact CB-CB 4.01Å; A704-M707 HydrophobicContact CB-CG 4.41Å; A704-M707 PolarHBondContact O-N 3Å; A704-M707 VanDerWaalsContact O-N 3.1Å; P705-M707 VanDerWaalsContact C-N 3.27Å; P705-M707 PolarHBondContact O-N 3.47Å; M707-G709 PolarHBondContact O-N 3.42Å; M707-G709 VanDerWaalsContact O-N 3.11Å; M707-Q710 WeakPolarHBondContact O-CB 3.47Å; M707-Q710 WeakPolarHBondContact O-CG 3.47Å; M707-Q710 PolarHBondContact O-N 2.99Å; M707-Q710 VanDerWaalsContact O-N 3.15Å; M707-Q710 HydrophobicContact SD-CB 4.15Å; M707-Q710 HydrophobicContact SD-CG 4.02Å
708	S	89.9	Confident	87.7	Confident	53 Å²	53	66.2 Å²	66.2	37%	0.371	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	116.3	-176.2	-178.3	0	0	0	0	112	P705 D706 Q710	P705-S708 VanDerWaalsContact O-CB 3.27Å; P705-S708 WeakPolarHBondContact O-CB 3.37Å; P705-S708 PolarHBondContact O-N 2.93Å; D706-S708 VanDerWaalsContact C-N 3.34Å; S708-Q710 PolarHBondContact O-N 2.75Å
709	G	87.8	Confident	87.8	Confident	27 Å²	27	63.8 Å²	63.8	28%	0.278	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-0.1	175.7	0	0	0	0	0	115.8	A695 M707 A711 R712 M713	A695-G709 PolarHBondContact O-N 3.21Å; M707-G709 PolarHBondContact O-N 3.42Å; M707-G709 VanDerWaalsContact O-N 3.11Å; G709-A711 VanDerWaalsContact C-N 3.32Å; G709-A711 PolarHBondContact O-N 3.46Å; G709-R712 PolarHBondContact O-N 3.34Å; G709-M713 WeakPolarHBondContact O-CG 3.17Å; G709-M713 PolarHBondContact O-N 2.86Å; G709-M713 VanDerWaalsContact O-N 3.16Å
710	Q	90	Very high	88.2	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.028	34%	0.335	C	S	.	.	H	α-helix	trans	-58.3	-40.4	-179.1	-72.9	-68.8	-7.6	0	0	112.9	D645 F691 M707 S708 R712 M713 M714	D645-Q710 PolarHBondContact OD1-NE2 3.28Å; D645-Q710 PolarHBondContact OD2-NE2 2.97Å; F691-Q710 HydrophobicContact CE2-CB 4.2Å; F691-Q710 HydrophobicContact CZ-CB 4.02Å; M707-Q710 WeakPolarHBondContact O-CB 3.47Å; M707-Q710 WeakPolarHBondContact O-CG 3.47Å; M707-Q710 PolarHBondContact O-N 2.99Å; M707-Q710 VanDerWaalsContact O-N 3.15Å; M707-Q710 HydrophobicContact SD-CB 4.15Å; M707-Q710 HydrophobicContact SD-CG 4.02Å; S708-Q710 PolarHBondContact O-N 2.75Å; Q710-R712 PolarHBondContact O-N 2.69Å; Q710-M713 PolarHBondContact O-N 3.16Å; Q710-M714 WeakPolarHBondContact O-CB 3.3Å; Q710-M714 PolarHBondContact O-N 3.44Å
711	A	91.4	Very high	88.6	Confident	6 Å²	6	58.7 Å²	58.7	5%	0.05	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-41.9	178.8	0	0	0	0	0	112.9	F691 A695 G709 M713 M714 F715	F691-A711 HydrophobicContact CD1-CB 3.91Å; F691-A711 VanDerWaalsContact CE1-CA 3.43Å; F691-A711 HydrophobicContact CE1-CB 3.7Å; F691-A711 HydrophobicContact CG-CB 4.48Å; F691-A711 HydrophobicContact CZ-CB 4.1Å; A695-A711 HydrophobicContact CB-CB 3.6Å; G709-A711 VanDerWaalsContact C-N 3.32Å; G709-A711 PolarHBondContact O-N 3.46Å; A711-M713 VanDerWaalsContact C-N 3.34Å; A711-M713 PolarHBondContact O-N 3.25Å; A711-M714 PolarHBondContact O-N 3.33Å; A711-F715 HydrophobicContact CB-CD2 4.41Å; A711-F715 HydrophobicContact CB-CE2 4.16Å; A711-F715 WeakPolarHBondContact O-CD2 3.36Å; A711-F715 WeakPolarHBondContact O-CG 3.24Å; A711-F715 PolarHBondContact O-N 3.13Å
712	R	89.5	Confident	88.9	Confident	212 Å²	212	61.1 Å²	61.1	80%	0.8	33%	0.334	S	S	*	.	H	α-helix	trans	-66.1	-38.8	177	-175.9	178.6	-74.3	153	-2.7	111.1	G709 Q710 S716	G709-R712 PolarHBondContact O-N 3.34Å; Q710-R712 PolarHBondContact O-N 2.69Å; R712-S716 WeakPolarHBondContact O-CB 3.39Å; R712-S716 PolarHBondContact O-N 3.48Å; R712-S716 PolarHBondContact O-OG 2.9Å
713	M	89.4	Confident	89.3	Confident	78 Å²	78	55.5 Å²	55.5	38%	0.384	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-46.6	176	-64.3	-178.6	-167.8	0	0	111.3	L638 L648 G709 Q710 A711 S716 S717	L638-M713 WeakPolarHBondContact CD2-O 3.43Å; L648-M713 HydrophobicContact CD1-CB 4.21Å; G709-M713 WeakPolarHBondContact O-CG 3.17Å; G709-M713 PolarHBondContact O-N 2.86Å; G709-M713 VanDerWaalsContact O-N 3.16Å; Q710-M713 PolarHBondContact O-N 3.16Å; A711-M713 VanDerWaalsContact C-N 3.34Å; A711-M713 PolarHBondContact O-N 3.25Å; M713-S716 PolarHBondContact O-N 3.5Å; M713-S716 PolarHBondContact O-OG 3.14Å; M713-S717 PolarHBondContact O-N 3.25Å
714	M	91.1	Very high	89.8	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-50.5	-179.9	-165.8	176.3	81	0	0	112.4	L648 N651 M652 F691 Q710 A711 S716 S717 F720	L648-M714 HydrophobicContact CD1-CB 3.7Å; L648-M714 HydrophobicContact CD1-CG 4.23Å; N651-M714 HydrophobicContact CB-SD 4.05Å; M652-M714 HydrophobicContact CE-CG 4.02Å; M652-M714 HydrophobicContact CG-CG 3.75Å; M652-M714 HydrophobicContact CG-SD 3.93Å; F691-M714 HydrophobicContact CD1-CE 3.67Å; F691-M714 HydrophobicContact CE1-CB 4.18Å; F691-M714 HydrophobicContact CE1-CE 3.28Å; F691-M714 HydrophobicContact CE1-SD 3.69Å; F691-M714 HydrophobicContact CZ-CE 4.31Å; F691-M714 HydrophobicContact CZ-SD 4.17Å; Q710-M714 WeakPolarHBondContact O-CB 3.3Å; Q710-M714 PolarHBondContact O-N 3.44Å; A711-M714 PolarHBondContact O-N 3.33Å; M714-S716 VanDerWaalsContact C-N 3.27Å; M714-S716 PolarHBondContact O-N 2.9Å; M714-S717 WeakPolarHBondContact O-CB 3.26Å; M714-S717 PolarHBondContact O-N 2.95Å; M714-S717 VanDerWaalsContact O-N 3.16Å; M714-F720 HydrophobicContact CE-CD2 4.25Å; M714-F720 HydrophobicContact CE-CE1 4.45Å; M714-F720 HydrophobicContact CE-CE2 3.61Å; M714-F720 HydrophobicContact CE-CZ 3.73Å; M714-F720 HydrophobicContact CG-CB 4.42Å; M714-F720 HydrophobicContact CG-CD2 3.63Å; M714-F720 HydrophobicContact CG-CE2 4Å; M714-F720 HydrophobicContact CG-CG 3.91Å; M714-F720 WeakPolarHBondContact O-CB 3.41Å; M714-F720 HydrophobicContact SD-CD2 4.03Å; M714-F720 HydrophobicContact SD-CE2 3.87Å
715	F	91.6	Very high	90.3	Very high	55 Å²	55	61.4 Å²	61.4	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-72.9	-16.5	-177	-63	-46.6	0	0	0	114.2	V688 F691 I692 A711 F720 W721	V688-F715 HydrophobicContact CG1-CZ 4.14Å; F691-F715 HydrophobicContact CD1-CE2 4.35Å; F691-F715 HydrophobicContact CD1-CZ 4.17Å; I692-F715 HydrophobicContact CD1-CE2 4.01Å; I692-F715 HydrophobicContact CG1-CE2 3.64Å; I692-F715 HydrophobicContact CG1-CZ 4.4Å; A711-F715 HydrophobicContact CB-CD2 4.41Å; A711-F715 HydrophobicContact CB-CE2 4.16Å; A711-F715 WeakPolarHBondContact O-CD2 3.36Å; A711-F715 WeakPolarHBondContact O-CG 3.24Å; A711-F715 PolarHBondContact O-N 3.13Å; F715-F720 HydrophobicContact CD1-CD1 4.16Å; F715-F720 AromaticContact CD1-CE1 3.59Å; F715-F720 HydrophobicContact CD1-CE1 3.59Å; F715-F720 HydrophobicContact CD1-CZ 4.15Å; F715-F720 AromaticContact CE1-CE1 3.8Å; F715-F720 HydrophobicContact CE1-CE1 3.8Å; F715-F720 AromaticContact CE1-CZ 3.92Å; F715-F720 HydrophobicContact CE1-CZ 3.92Å; F715-W721 HydrophobicContact CD1-CZ2 4.16Å; F715-W721 PolarHBondContact O-NE1 3.1Å
716	S	89.9	Confident	90.7	Very high	75 Å²	75	63.3 Å²	63.3	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-86.1	-9.5	172.8	61.6	0	0	0	0	113.6	L638 R712 M713 M714	L638-S716 WeakPolarHBondContact CD2-OG 3.24Å; R712-S716 WeakPolarHBondContact O-CB 3.39Å; R712-S716 PolarHBondContact O-N 3.48Å; R712-S716 PolarHBondContact O-OG 2.9Å; M713-S716 PolarHBondContact O-N 3.5Å; M713-S716 PolarHBondContact O-OG 3.14Å; M714-S716 VanDerWaalsContact C-N 3.27Å; M714-S716 PolarHBondContact O-N 2.9Å
717	S	89.8	Confident	91.1	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	30%	0.299	C	S	.	.			trans	-81.1	126.7	176.6	178.7	0	0	0	0	111.6	V637 M713 M714 V719 F720 W721	V637-S717 VanDerWaalsContact CG1-OG 3.31Å; V637-S717 WeakPolarHBondContact CG1-OG 3.37Å; V637-S717 PolarHBondContact O-OG 3.13Å; M713-S717 PolarHBondContact O-N 3.25Å; M714-S717 WeakPolarHBondContact O-CB 3.26Å; M714-S717 PolarHBondContact O-N 2.95Å; M714-S717 VanDerWaalsContact O-N 3.16Å; S717-V719 VanDerWaalsContact C-N 3.27Å; S717-V719 PolarHBondContact O-N 3.33Å; S717-V719 PolarHBondContact OG-N 3.35Å; S717-F720 PolarHBondContact O-N 3.33Å; S717-W721 VanDerWaalsContact O-CD1 3.3Å
718	G	88.7	Confident	91.4	Very high	48 Å²	48	58.6 Å²	58.6	50%	0.495	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-29	170.6	0	0	0	0	0	113.1	F720 W721 M722	G718-F720 VanDerWaalsContact C-N 3.32Å; G718-F720 PolarHBondContact O-N 3.17Å; G718-W721 PolarHBondContact O-N 3.22Å; G718-M722 WeakPolarHBondContact O-CG 3.43Å; G718-M722 PolarHBondContact O-N 3.05Å; G718-M722 VanDerWaalsContact O-N 3.1Å
719	V	90.1	Very high	91.7	Very high	53 Å²	53	59.4 Å²	59.4	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-39.1	176.9	179.4	0	0	0	0	110.7	A631 V637 S717 M722 G723	A631-V719 HydrophobicContact CB-CG1 3.69Å; V637-V719 HydrophobicContact CG1-CB 3.84Å; V637-V719 HydrophobicContact CG1-CG1 4.3Å; V637-V719 HydrophobicContact CG1-CG2 3.94Å; S717-V719 VanDerWaalsContact C-N 3.27Å; S717-V719 PolarHBondContact O-N 3.33Å; S717-V719 PolarHBondContact OG-N 3.35Å; V719-M722 PolarHBondContact O-N 3.47Å; V719-G723 PolarHBondContact O-N 2.93Å
720	F	92.2	Very high	92	Very high	3 Å²	3	59.5 Å²	59.5	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-51.5	175.3	170.7	-103.5	0	0	0	111.9	M652 T655 F656 M714 F715 S717 G718 M722 G723 L724	M652-F720 HydrophobicContact CE-CB 3.83Å; M652-F720 HydrophobicContact CG-CD2 4.03Å; M652-F720 HydrophobicContact SD-CB 4.01Å; M652-F720 HydrophobicContact SD-CD2 4.27Å; T655-F720 HydrophobicContact CG2-CE2 3.89Å; T655-F720 HydrophobicContact CG2-CZ 4.04Å; F656-F720 HydrophobicContact CE1-CD2 4.07Å; F656-F720 AromaticContact CE1-CE2 3.97Å; F656-F720 HydrophobicContact CE1-CE2 3.97Å; F656-F720 AromaticContact CZ-CD2 3.97Å; F656-F720 HydrophobicContact CZ-CD2 3.97Å; F656-F720 HydrophobicContact CZ-CE2 4.31Å; M714-F720 HydrophobicContact CE-CD2 4.25Å; M714-F720 HydrophobicContact CE-CE1 4.45Å; M714-F720 HydrophobicContact CE-CE2 3.61Å; M714-F720 HydrophobicContact CE-CZ 3.73Å; M714-F720 HydrophobicContact CG-CB 4.42Å; M714-F720 HydrophobicContact CG-CD2 3.63Å; M714-F720 HydrophobicContact CG-CE2 4Å; M714-F720 HydrophobicContact CG-CG 3.91Å; M714-F720 WeakPolarHBondContact O-CB 3.41Å; M714-F720 HydrophobicContact SD-CD2 4.03Å; M714-F720 HydrophobicContact SD-CE2 3.87Å; F715-F720 HydrophobicContact CD1-CD1 4.16Å; F715-F720 AromaticContact CD1-CE1 3.59Å; F715-F720 HydrophobicContact CD1-CE1 3.59Å; F715-F720 HydrophobicContact CD1-CZ 4.15Å; F715-F720 AromaticContact CE1-CE1 3.8Å; F715-F720 HydrophobicContact CE1-CE1 3.8Å; F715-F720 AromaticContact CE1-CZ 3.92Å; F715-F720 HydrophobicContact CE1-CZ 3.92Å; S717-F720 PolarHBondContact O-N 3.33Å; G718-F720 VanDerWaalsContact C-N 3.32Å; G718-F720 PolarHBondContact O-N 3.17Å; F720-M722 PolarHBondContact O-N 3.19Å; F720-G723 CarbonylContact O-C 3.6Å; F720-G723 PolarHBondContact O-N 3.48Å; F720-L724 HydrophobicContact CE1-CD2 4.5Å; F720-L724 HydrophobicContact CE2-CD1 4.3Å; F720-L724 HydrophobicContact CZ-CD1 3.88Å; F720-L724 WeakPolarHBondContact O-CB 3.17Å; F720-L724 PolarHBondContact O-N 3.13Å
721	W	93.4	Very high	92.2	Very high	137 Å²	137	59.2 Å²	59.2	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-36.2	-177.9	-69.8	108.7	0	0	0	113.1	F715 S717 G718 L724	F715-W721 HydrophobicContact CD1-CZ2 4.16Å; F715-W721 PolarHBondContact O-NE1 3.1Å; S717-W721 VanDerWaalsContact O-CD1 3.3Å; G718-W721 PolarHBondContact O-N 3.22Å; W721-L724 HydrophobicContact CE3-CD2 3.59Å; W721-L724 HydrophobicContact CZ3-CD2 3.58Å; W721-L724 WeakPolarHBondContact O-CB 3.48Å; W721-L724 PolarHBondContact O-N 3.35Å
722	M	92.6	Very high	92.5	Very high	143 Å²	143	59.8 Å²	59.8	70%	0.704	30%	0.299	S	S	*	.	H	α-helix	trans	-66.5	-44.5	172.2	-70.8	-61	-64.5	0	0	111.6	G718 V719 F720 L724 F725 F726	G718-M722 WeakPolarHBondContact O-CG 3.43Å; G718-M722 PolarHBondContact O-N 3.05Å; G718-M722 VanDerWaalsContact O-N 3.1Å; V719-M722 PolarHBondContact O-N 3.47Å; F720-M722 PolarHBondContact O-N 3.19Å; M722-L724 VanDerWaalsContact C-N 3.3Å; M722-L724 PolarHBondContact O-N 3.33Å; M722-F725 PolarHBondContact O-N 3Å; M722-F726 WeakPolarHBondContact O-CB 3.3Å; M722-F726 PolarHBondContact O-N 3.44Å
723	G	93	Very high	92.7	Very high	9 Å²	9	53.9 Å²	53.9	9%	0.093	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-36.2	176.1	0	0	0	0	0	113	V719 F720 F725 F726 I727 P728	V719-G723 PolarHBondContact O-N 2.93Å; F720-G723 CarbonylContact O-C 3.6Å; F720-G723 PolarHBondContact O-N 3.48Å; G723-F725 PolarHBondContact O-N 3.4Å; G723-F726 PolarHBondContact O-N 3.43Å; G723-I727 VanDerWaalsContact O-CB 3.32Å; G723-I727 WeakPolarHBondContact O-CB 3.47Å; G723-I727 WeakPolarHBondContact O-CG1 3.05Å; G723-I727 PolarHBondContact O-N 3.26Å; G723-P728 WeakPolarHBondContact O-CD 3.49Å
724	L	93.4	Very high	92.9	Very high	46 Å²	46	55.9 Å²	55.9	24%	0.241	29%	0.289	C	S	.	.	H	α-helix	trans	-56.9	-35.5	-179.9	-167.4	72.3	0	0	0	112.7	T655 F656 I659 F720 W721 M722 P728	T655-L724 HydrophobicContact CG2-CD1 4.34Å; F656-L724 HydrophobicContact CD1-CD1 4.31Å; F656-L724 VanDerWaalsContact CE1-CA 3.46Å; F656-L724 HydrophobicContact CE1-CB 4.12Å; F656-L724 HydrophobicContact CE1-CD1 4.1Å; F656-L724 VanDerWaalsContact CE1-N 3.31Å; I659-L724 HydrophobicContact CD1-CD1 3.27Å; I659-L724 HydrophobicContact CD1-CG 4.36Å; F720-L724 HydrophobicContact CE1-CD2 4.5Å; F720-L724 HydrophobicContact CE2-CD1 4.3Å; F720-L724 HydrophobicContact CZ-CD1 3.88Å; F720-L724 WeakPolarHBondContact O-CB 3.17Å; F720-L724 PolarHBondContact O-N 3.13Å; W721-L724 HydrophobicContact CE3-CD2 3.59Å; W721-L724 HydrophobicContact CZ3-CD2 3.58Å; W721-L724 WeakPolarHBondContact O-CB 3.48Å; W721-L724 PolarHBondContact O-N 3.35Å; M722-L724 VanDerWaalsContact C-N 3.3Å; M722-L724 PolarHBondContact O-N 3.33Å; L724-P728 VanDerWaalsContact O-CD 3.28Å; L724-P728 WeakPolarHBondContact O-CD 3.46Å; L724-P728 WeakPolarHBondContact O-CG 3.48Å
725	F	91.6	Very high	93.1	Very high	155 Å²	155	56.3 Å²	56.3	68%	0.68	29%	0.291	S	S	*	.	H	α-helix	trans	-89.5	-49.7	175	-177	-100.7	0	0	0	111.8	M722 G723 I727 V729	M722-F725 PolarHBondContact O-N 3Å; G723-F725 PolarHBondContact O-N 3.4Å; F725-I727 PolarHBondContact O-N 3.33Å; F725-V729 HydrophobicContact CE1-CG2 4.47Å; F725-V729 HydrophobicContact CE2-CG2 4.3Å; F725-V729 HydrophobicContact CZ-CG2 4.27Å; F725-V729 WeakPolarHBondContact O-CB 3.29Å; F725-V729 WeakPolarHBondContact O-CG2 3.15Å; F725-V729 PolarHBondContact O-N 2.92Å
726	F	94.8	Very high	93.3	Very high	108 Å²	108	56.7 Å²	56.7	47%	0.474	30%	0.298	S	S	.	.	H	α-helix	trans	-67.4	-41.8	-169.7	-177.3	-101.5	0	0	0	113.5	F627 M722 G723 T730	F627-F726 AromaticContact CD1-CE1 3.9Å; F627-F726 HydrophobicContact CD1-CE1 3.9Å; F627-F726 AromaticContact CE1-CE1 3.72Å; F627-F726 HydrophobicContact CE1-CE1 3.72Å; F627-F726 HydrophobicContact CE1-CZ 4.4Å; M722-F726 WeakPolarHBondContact O-CB 3.3Å; M722-F726 PolarHBondContact O-N 3.44Å; G723-F726 PolarHBondContact O-N 3.43Å; F726-T730 WeakPolarHBondContact O-CB 3.2Å; F726-T730 PolarHBondContact O-N 3.4Å; F726-T730 PolarHBondContact O-OG1 3.21Å
727	I	94.8	Very high	93.5	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-74.4	-46.8	-170.6	-62.7	167.3	0	0	0	111.8	I623 L624 F627 P628 F656 G723 F725 V729 T730 S731	I623-I727 HydrophobicContact CG2-CG2 4.45Å; L624-I727 HydrophobicContact CD2-CG2 3.69Å; F627-I727 HydrophobicContact CB-CD1 4.27Å; F627-I727 HydrophobicContact CB-CG1 4.17Å; P628-I727 HydrophobicContact CG-CD1 3.76Å; F656-I727 HydrophobicContact CB-CG2 4.28Å; F656-I727 HydrophobicContact CD2-CD1 3.52Å; F656-I727 HydrophobicContact CD2-CG2 4.49Å; F656-I727 HydrophobicContact CE2-CD1 3.43Å; F656-I727 VanDerWaalsContact CE2-CD1 3.43Å; F656-I727 HydrophobicContact CG-CD1 4.25Å; F656-I727 HydrophobicContact CG-CG2 4.47Å; F656-I727 HydrophobicContact CZ-CD1 4.1Å; G723-I727 VanDerWaalsContact O-CB 3.32Å; G723-I727 WeakPolarHBondContact O-CB 3.47Å; G723-I727 WeakPolarHBondContact O-CG1 3.05Å; G723-I727 PolarHBondContact O-N 3.26Å; F725-I727 PolarHBondContact O-N 3.33Å; I727-V729 VanDerWaalsContact C-N 3.34Å; I727-V729 PolarHBondContact O-N 2.84Å; I727-T730 PolarHBondContact O-N 3.26Å; I727-S731 WeakPolarHBondContact O-CB 3.4Å; I727-S731 PolarHBondContact O-N 2.82Å; I727-S731 PolarHBondContact O-OG 2.67Å
728	P	94.9	Very high	93.6	Very high	6 Å²	6	63.6 Å²	63.6	4%	0.039	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-39.4	174.8	-25.1	36.8	0	0	0	112.7	I659 L663 G723 L724 S731 L732	I659-P728 HydrophobicContact CG2-CB 4.24Å; I659-P728 HydrophobicContact CG2-CG 3.92Å; L663-P728 HydrophobicContact CD1-CB 4.24Å; G723-P728 WeakPolarHBondContact O-CD 3.49Å; L724-P728 VanDerWaalsContact O-CD 3.28Å; L724-P728 WeakPolarHBondContact O-CD 3.46Å; L724-P728 WeakPolarHBondContact O-CG 3.48Å; P728-S731 PolarHBondContact O-N 2.78Å; P728-L732 WeakPolarHBondContact O-CB 3.18Å; P728-L732 WeakPolarHBondContact O-CG 3.28Å; P728-L732 PolarHBondContact O-N 3.14Å
729	V	95.3	Very high	93.7	Very high	70 Å²	70	63.8 Å²	63.8	42%	0.424	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-48.2	177.1	171.4	0	0	0	0	110.8	F725 I727 S731 L732 I733	F725-V729 HydrophobicContact CE1-CG2 4.47Å; F725-V729 HydrophobicContact CE2-CG2 4.3Å; F725-V729 HydrophobicContact CZ-CG2 4.27Å; F725-V729 WeakPolarHBondContact O-CB 3.29Å; F725-V729 WeakPolarHBondContact O-CG2 3.15Å; F725-V729 PolarHBondContact O-N 2.92Å; I727-V729 VanDerWaalsContact C-N 3.34Å; I727-V729 PolarHBondContact O-N 2.84Å; V729-S731 VanDerWaalsContact C-N 3.29Å; V729-S731 PolarHBondContact O-N 2.91Å; V729-L732 PolarHBondContact O-N 3.32Å; V729-I733 WeakPolarHBondContact O-CB 3.28Å; V729-I733 PolarHBondContact O-N 3.31Å
730	T	94.8	Very high	93.8	Very high	29 Å²	29	65.5 Å²	65.5	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-35.3	179.7	-56.8	0	0	0	0	112.2	F627 F726 I727 I733	F627-T730 HydrophobicContact CE2-CG2 4.43Å; F627-T730 HydrophobicContact CZ-CG2 4.21Å; F726-T730 WeakPolarHBondContact O-CB 3.2Å; F726-T730 PolarHBondContact O-N 3.4Å; F726-T730 PolarHBondContact O-OG1 3.21Å; I727-T730 PolarHBondContact O-N 3.26Å; T730-I733 WeakPolarHBondContact O-CG2 3.35Å
731	S	94.8	Very high	93.9	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-51.4	175.3	-54.8	0	0	0	0	110.8	H620 I623 I727 P728 V729	H620-S731 PolarHBondContact NE2-O 2.99Å; H620-S731 VanDerWaalsContact NE2-O 3.07Å; I623-S731 WeakPolarHBondContact CG2-OG 3.35Å; I727-S731 WeakPolarHBondContact O-CB 3.4Å; I727-S731 PolarHBondContact O-N 2.82Å; I727-S731 PolarHBondContact O-OG 2.67Å; P728-S731 PolarHBondContact O-N 2.78Å; V729-S731 VanDerWaalsContact C-N 3.29Å; V729-S731 PolarHBondContact O-N 2.91Å
732	L	95.8	Very high	93.6	Very high	19 Å²	19	66.8 Å²	66.8	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-83	-14.3	-170.1	-62	171.5	0	0	0	114.5	T660 L663 K664 P728 V729 F734 D735 V736	T660-L732 HydrophobicContact CG2-CD2 4.18Å; T660-L732 HydrophobicContact CG2-CG 4.24Å; L663-L732 HydrophobicContact CB-CD1 3.51Å; L663-L732 HydrophobicContact CD1-CD1 4.14Å; K664-L732 HydrophobicContact CB-CD2 3.9Å; K664-L732 HydrophobicContact CD-CD2 4.24Å; P728-L732 WeakPolarHBondContact O-CB 3.18Å; P728-L732 WeakPolarHBondContact O-CG 3.28Å; P728-L732 PolarHBondContact O-N 3.14Å; V729-L732 PolarHBondContact O-N 3.32Å; L732-F734 VanDerWaalsContact C-N 3.27Å; L732-F734 PolarHBondContact O-N 3.39Å; L732-D735 WeakPolarHBondContact O-CB 3.35Å; L732-D735 PolarHBondContact O-N 3.41Å; L732-D735 VanDerWaalsContact O-N 3.16Å; L732-V736 WeakPolarHBondContact O-CG2 3.3Å; L732-V736 PolarHBondContact O-N 3.44Å
733	I	95.4	Very high	93.2	Very high	88 Å²	88	64.4 Å²	64.4	45%	0.451	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-37.1	-177.3	-162	166.9	0	0	0	112.4	V729 T730 V736 T737	V729-I733 WeakPolarHBondContact O-CB 3.28Å; V729-I733 PolarHBondContact O-N 3.31Å; T730-I733 WeakPolarHBondContact O-CG2 3.35Å; I733-V736 PolarHBondContact O-N 2.87Å; I733-T737 WeakPolarHBondContact O-CB 3.06Å; I733-T737 PolarHBondContact O-N 2.83Å; I733-T737 PolarHBondContact O-OG1 3.31Å
734	F	92.9	Very high	93	Very high	119 Å²	119	67.1 Å²	67.1	52%	0.522	34%	0.342	S	S	.	.	H	α-helix	trans	-68.2	-39.6	177.4	-69.3	-75.2	0	0	0	111.5	F619 L732 T737 Y738	F619-F734 HydrophobicContact CE1-CB 4.33Å; F619-F734 AromaticContact CE1-CD2 3.66Å; F619-F734 HydrophobicContact CE1-CD2 3.66Å; F619-F734 HydrophobicContact CE1-CE2 4.26Å; F619-F734 HydrophobicContact CE1-CG 4.15Å; F619-F734 AromaticContact CZ-CD2 3.74Å; F619-F734 HydrophobicContact CZ-CD2 3.74Å; F619-F734 AromaticContact CZ-CE2 3.87Å; F619-F734 HydrophobicContact CZ-CE2 3.87Å; F619-F734 HydrophobicContact CZ-CG 4.35Å; L732-F734 VanDerWaalsContact C-N 3.27Å; L732-F734 PolarHBondContact O-N 3.39Å; F734-T737 PolarHBondContact O-N 3.16Å; F734-Y738 WeakPolarHBondContact O-CB 3.21Å; F734-Y738 PolarHBondContact O-N 3.31Å
735	D	94.5	Very high	92.8	Very high	10 Å²	10	69.1 Å²	69.1	5%	0.053	36%	0.359	C	S	.	.	H	α-helix	trans	-63.4	-46.4	174.8	-83	-41.3	0	0	0	112.5	N616 H620 K664 L667 L732 T737 Y738 K739	N616-D735 PolarHBondContact ND2-OD1 3.21Å; N616-D735 PolarHBondContact ND2-OD2 3.47Å; H620-D735 IonicContact CE1-OD2 3.09Å; H620-D735 PolarHBondContact CE1-OD2 3.02Å; H620-D735 IonicContact NE2-OD2 3.55Å; K664-D735 VanDerWaalsContact CD-OD2 3.3Å; K664-D735 WeakPolarHBondContact CD-OD2 3.23Å; K664-D735 WeakPolarHBondContact CE-OD2 3.46Å; K664-D735 IonicContact NZ-OD1 2.92Å; K664-D735 PolarHBondContact NZ-OD1 3.32Å; K664-D735 IonicContact NZ-OD2 2.77Å; K664-D735 PolarHBondContact NZ-OD2 2.85Å; L667-D735 HydrophobicContact CD2-CB 3.66Å; L732-D735 WeakPolarHBondContact O-CB 3.35Å; L732-D735 PolarHBondContact O-N 3.41Å; L732-D735 VanDerWaalsContact O-N 3.16Å; D735-T737 VanDerWaalsContact C-N 3.33Å; D735-Y738 PolarHBondContact O-N 3.07Å; D735-K739 WeakPolarHBondContact O-CB 3.28Å; D735-K739 WeakPolarHBondContact O-CG 3.24Å; D735-K739 PolarHBondContact O-N 3.38Å
736	V	95.7	Very high	92.5	Very high	63 Å²	63	69 Å²	69	38%	0.382	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-47.4	176.8	172.8	0	0	0	0	109.4	L667 L732 I733 Y738 K739 V740	L667-V736 HydrophobicContact CD1-CG2 3.94Å; L667-V736 HydrophobicContact CD2-CG2 3.84Å; L732-V736 WeakPolarHBondContact O-CG2 3.3Å; L732-V736 PolarHBondContact O-N 3.44Å; I733-V736 PolarHBondContact O-N 2.87Å; V736-Y738 PolarHBondContact O-N 3.44Å; V736-K739 PolarHBondContact O-N 3.07Å; V736-V740 HydrophobicContact CG1-CG2 4.24Å; V736-V740 WeakPolarHBondContact O-CB 3.42Å; V736-V740 VanDerWaalsContact O-CG2 3.23Å; V736-V740 WeakPolarHBondContact O-CG2 3.19Å; V736-V740 PolarHBondContact O-N 3.38Å
737	T	94.4	Very high	91.9	Very high	76 Å²	76	67.9 Å²	67.9	47%	0.466	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-48.5	178.4	-56.9	0	0	0	0	111.1	I733 F734 D735 K739 V740 V741	I733-T737 WeakPolarHBondContact O-CB 3.06Å; I733-T737 PolarHBondContact O-N 2.83Å; I733-T737 PolarHBondContact O-OG1 3.31Å; F734-T737 PolarHBondContact O-N 3.16Å; D735-T737 VanDerWaalsContact C-N 3.33Å; T737-K739 PolarHBondContact O-N 3.42Å; T737-V740 PolarHBondContact O-N 3.26Å; T737-V741 HydrophobicContact CG2-CG2 4.28Å; T737-V741 WeakPolarHBondContact O-CB 3.29Å; T737-V741 VanDerWaalsContact O-CG2 3.26Å; T737-V741 WeakPolarHBondContact O-CG2 3.34Å; T737-V741 PolarHBondContact O-N 3.4Å
738	Y	92.8	Very high	91.3	Very high	146 Å²	146	69.9 Å²	69.9	57%	0.573	37%	0.366	S	S	*	.	H	α-helix	trans	-58.9	-46.2	177.7	171.2	-106.6	0	0	0	112	F734 D735 V736 V741 K742	F734-Y738 WeakPolarHBondContact O-CB 3.21Å; F734-Y738 PolarHBondContact O-N 3.31Å; D735-Y738 PolarHBondContact O-N 3.07Å; V736-Y738 PolarHBondContact O-N 3.44Å; Y738-V741 PolarHBondContact O-N 3.5Å; Y738-K742 HydrophobicContact CE1-CD 4.47Å; Y738-K742 VanDerWaalsContact O-CB 3.25Å; Y738-K742 WeakPolarHBondContact O-CB 3.44Å; Y738-K742 PolarHBondContact O-N 2.83Å
739	K	90.6	Very high	90.7	Very high	51 Å²	51	71.1 Å²	71.1	22%	0.222	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-43.3	177.8	-78.8	-167.2	173.2	-156.6	0	112.6	L667 E668 D735 V736 T737 K742 K743	L667-K739 HydrophobicContact CD1-CD 4.28Å; L667-K739 HydrophobicContact CD2-CD 4.49Å; L667-K739 HydrophobicContact CG-CD 4.07Å; L667-K739 PolarHBondContact O-NZ 3.39Å; E668-K739 WeakPolarHBondContact OE1-CE 3.31Å; E668-K739 IonicContact OE1-NZ 3.9Å; E668-K739 PolarHBondContact OE1-NZ 2.79Å; E668-K739 VanDerWaalsContact OE2-CE 3.31Å; E668-K739 WeakPolarHBondContact OE2-CE 3.48Å; E668-K739 IonicContact OE2-NZ 3.47Å; E668-K739 PolarHBondContact OE2-NZ 3.38Å; D735-K739 WeakPolarHBondContact O-CB 3.28Å; D735-K739 WeakPolarHBondContact O-CG 3.24Å; D735-K739 PolarHBondContact O-N 3.38Å; V736-K739 PolarHBondContact O-N 3.07Å; T737-K739 PolarHBondContact O-N 3.42Å; K739-K742 PolarHBondContact O-N 3.08Å; K739-K743 WeakPolarHBondContact O-CB 3.4Å; K739-K743 WeakPolarHBondContact O-CG 3.44Å; K739-K743 PolarHBondContact O-N 3.36Å
740	V	92.4	Very high	90.1	Very high	90 Å²	90	68.6 Å²	68.6	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-46.8	178.3	170.9	0	0	0	0	110.3	V736 T737 K742 K743 A744	V736-V740 HydrophobicContact CG1-CG2 4.24Å; V736-V740 WeakPolarHBondContact O-CB 3.42Å; V736-V740 VanDerWaalsContact O-CG2 3.23Å; V736-V740 WeakPolarHBondContact O-CG2 3.19Å; V736-V740 PolarHBondContact O-N 3.38Å; T737-V740 PolarHBondContact O-N 3.26Å; V740-K742 PolarHBondContact O-N 3.12Å; V740-K743 PolarHBondContact O-N 2.93Å; V740-A744 VanDerWaalsContact O-CB 3.24Å; V740-A744 WeakPolarHBondContact O-CB 3.43Å; V740-A744 PolarHBondContact O-N 3.02Å
741	V	93	Very high	89.6	Confident	72 Å²	72	68.2 Å²	68.2	44%	0.436	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-44.5	177.4	171.1	0	0	0	0	111	T737 Y738 A744 C745	T737-V741 HydrophobicContact CG2-CG2 4.28Å; T737-V741 WeakPolarHBondContact O-CB 3.29Å; T737-V741 VanDerWaalsContact O-CG2 3.26Å; T737-V741 WeakPolarHBondContact O-CG2 3.34Å; T737-V741 PolarHBondContact O-N 3.4Å; Y738-V741 PolarHBondContact O-N 3.5Å; V741-A744 PolarHBondContact O-N 3.15Å; V741-C745 WeakPolarHBondContact O-CB 3.46Å; V741-C745 PolarHBondContact O-N 3.47Å
742	K	88	Confident	89	Confident	95 Å²	95	70 Å²	70	41%	0.413	36%	0.362	S	S	.	.	H	α-helix	trans	-60.3	-48.2	176.7	-174.7	179.9	177.5	-177.2	0	111.3	Y738 K739 V740 A744 F746	Y738-K742 HydrophobicContact CE1-CD 4.47Å; Y738-K742 VanDerWaalsContact O-CB 3.25Å; Y738-K742 WeakPolarHBondContact O-CB 3.44Å; Y738-K742 PolarHBondContact O-N 2.83Å; K739-K742 PolarHBondContact O-N 3.08Å; V740-K742 PolarHBondContact O-N 3.12Å; K742-A744 VanDerWaalsContact C-N 3.33Å; K742-A744 PolarHBondContact O-N 2.98Å; K742-F746 CarbonylContact O-C 3.53Å; K742-F746 VanDerWaalsContact O-CA 3.31Å; K742-F746 WeakPolarHBondContact O-CA 3.35Å; K742-F746 PolarHBondContact O-N 3.47Å
743	K	85.2	Confident	88.5	Confident	92 Å²	92	69 Å²	69	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-69.6	-26.7	178.5	-74.3	-167.5	170.1	-158.8	0	113.4	K739 V740 K747	K739-K743 WeakPolarHBondContact O-CB 3.4Å; K739-K743 WeakPolarHBondContact O-CG 3.44Å; K739-K743 PolarHBondContact O-N 3.36Å; V740-K743 PolarHBondContact O-N 2.93Å; K743-K747 WeakPolarHBondContact O-CE 3.44Å; K743-K747 WeakPolarHBondContact O-CG 3.32Å
744	A	87.8	Confident	88	Confident	66 Å²	66	66.3 Å²	66.3	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-82.3	-44	177.9	0	0	0	0	0	112.5	V740 V741 K742	V740-A744 VanDerWaalsContact O-CB 3.24Å; V740-A744 WeakPolarHBondContact O-CB 3.43Å; V740-A744 PolarHBondContact O-N 3.02Å; V741-A744 PolarHBondContact O-N 3.15Å; K742-A744 VanDerWaalsContact C-N 3.33Å; K742-A744 PolarHBondContact O-N 2.98Å
745	C	89	Confident	87.6	Confident	89 Å²	89	64.3 Å²	64.3	60%	0.601	34%	0.335	S	S	*	.	H	α-helix	trans	-101.7	-26	-169.7	-58.2	0	0	0	0	114.1	V741	V741-C745 WeakPolarHBondContact O-CB 3.46Å; V741-C745 PolarHBondContact O-N 3.47Å
746	F	85.7	Confident	87.1	Confident	153 Å²	153	65.5 Å²	65.5	67%	0.671	34%	0.341	S	S	*	.	S	Bend	trans	-131.3	56.4	-172.8	-61.6	-78.5	0	0	0	111.5	K742 T748	K742-F746 CarbonylContact O-C 3.53Å; K742-F746 VanDerWaalsContact O-CA 3.31Å; K742-F746 WeakPolarHBondContact O-CA 3.35Å; K742-F746 PolarHBondContact O-N 3.47Å; F746-T748 PolarHBondContact O-N 2.99Å
747	K	82	Confident	86.6	Confident	83 Å²	83	63.5 Å²	63.5	36%	0.361	33%	0.328	S	S	.	.			trans	-63.6	128.2	-177.9	-70.7	-176.5	-177.7	-169.7	0	112.2	K743 E752 E755	K743-K747 WeakPolarHBondContact O-CE 3.44Å; K743-K747 WeakPolarHBondContact O-CG 3.32Å; K747-E752 HydrophobicContact CB-CG 4.03Å; K747-E752 HydrophobicContact CD-CG 4.23Å; K747-E755 WeakPolarHBondContact CE-OE1 3.06Å; K747-E755 IonicContact NZ-OE1 2.88Å; K747-E755 PolarHBondContact NZ-OE1 3.1Å; K747-E755 IonicContact NZ-OE2 2.66Å; K747-E755 PolarHBondContact NZ-OE2 2.86Å
748	T	82.6	Confident	86	Confident	51 Å²	51	63.9 Å²	63.9	31%	0.313	34%	0.339	S	S	.	.			trans	-82.8	162.4	166.3	68.8	0	0	0	0	110.6	F746 V750 D751 E752	F746-T748 PolarHBondContact O-N 2.99Å; T748-V750 PolarHBondContact O-N 3.46Å; T748-D751 WeakPolarHBondContact CB-OD2 3.24Å; T748-D751 PolarHBondContact N-OD2 3.48Å; T748-D751 WeakPolarHBondContact O-CB 3.32Å; T748-D751 PolarHBondContact O-N 3.37Å; T748-D751 PolarHBondContact OG1-N 3.27Å; T748-D751 PolarHBondContact OG1-OD2 3.21Å; T748-E752 PolarHBondContact O-N 2.74Å
749	L	81.8	Confident	85.5	Confident	31 Å²	31	62.2 Å²	62.2	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-54.7	-37.7	174.1	-172.7	78.6	0	0	0	111.5	E594 L595 E752 V753 V767 K770	E594-L749 HydrophobicContact CB-CD2 4.23Å; L595-L749 HydrophobicContact CD2-CD2 3.84Å; L595-L749 HydrophobicContact CD2-CG 4.02Å; L595-L749 HydrophobicContact CG-CD2 4.43Å; L749-E752 PolarHBondContact O-N 3.24Å; L749-V753 WeakPolarHBondContact O-CG2 3.31Å; L749-V753 PolarHBondContact O-N 3.15Å; L749-V767 HydrophobicContact CD1-CG2 4.48Å; L749-K770 HydrophobicContact CD1-CD 4.48Å
750	V	82.8	Confident	85	Confident	18 Å²	18	64.8 Å²	64.8	11%	0.109	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-43.3	176.9	175.4	0	0	0	0	110.7	L595 T598 T748 V753 Q754	L595-V750 HydrophobicContact CD2-CG2 3.95Å; T598-V750 HydrophobicContact CG2-CG2 3.91Å; T748-V750 PolarHBondContact O-N 3.46Å; V750-V753 PolarHBondContact O-N 3.38Å; V750-Q754 HydrophobicContact CG1-CG 4.44Å; V750-Q754 WeakPolarHBondContact O-CB 3.11Å; V750-Q754 VanDerWaalsContact O-CG 3.26Å; V750-Q754 WeakPolarHBondContact O-CG 3.34Å; V750-Q754 PolarHBondContact O-N 3.3Å
751	D	84	Confident	84.3	Confident	20 Å²	20	66.9 Å²	66.9	11%	0.107	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-41.4	178.1	-62.3	-56.2	0	0	0	111.7	T748 Q754 E755	T748-D751 WeakPolarHBondContact CB-OD2 3.24Å; T748-D751 PolarHBondContact N-OD2 3.48Å; T748-D751 WeakPolarHBondContact O-CB 3.32Å; T748-D751 PolarHBondContact O-N 3.37Å; T748-D751 PolarHBondContact OG1-N 3.27Å; T748-D751 PolarHBondContact OG1-OD2 3.21Å; D751-Q754 PolarHBondContact O-N 2.84Å; D751-E755 WeakPolarHBondContact O-CG 3.22Å; D751-E755 PolarHBondContact O-N 2.99Å
752	E	83.4	Confident	83.4	Confident	37 Å²	37	68.2 Å²	68.2	17%	0.173	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-43.4	176.9	-69.2	171.7	172.3	0	0	111.8	K747 T748 L749 E755 L756 V766 K770	K747-E752 HydrophobicContact CB-CG 4.03Å; K747-E752 HydrophobicContact CD-CG 4.23Å; T748-E752 PolarHBondContact O-N 2.74Å; L749-E752 PolarHBondContact O-N 3.24Å; E752-E755 PolarHBondContact O-N 2.97Å; E752-L756 WeakPolarHBondContact O-CG 3.47Å; E752-L756 PolarHBondContact O-N 2.99Å; E752-L756 VanDerWaalsContact O-N 3.14Å; E752-V766 HydrophobicContact CB-CG1 4.02Å; E752-V766 HydrophobicContact CG-CG1 4.41Å; E752-V766 WeakPolarHBondContact OE2-CG1 3.27Å; E752-K770 IonicContact OE1-NZ 3.1Å; E752-K770 PolarHBondContact OE1-NZ 2.98Å; E752-K770 IonicContact OE2-NZ 3.99Å; E752-K770 PolarHBondContact OE2-NZ 3.3Å
753	V	85.2	Confident	82.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-41.4	176.2	171.6	0	0	0	0	110.9	N588 L595 L749 V750 E755 L756 E757 P763 V767	N588-V753 HydrophobicContact CB-CG1 4.36Å; L595-V753 HydrophobicContact CD1-CG1 4.31Å; L595-V753 HydrophobicContact CD2-CB 4.4Å; L595-V753 HydrophobicContact CD2-CG2 4.02Å; L749-V753 WeakPolarHBondContact O-CG2 3.31Å; L749-V753 PolarHBondContact O-N 3.15Å; V750-V753 PolarHBondContact O-N 3.38Å; V753-E755 PolarHBondContact O-N 3.06Å; V753-L756 PolarHBondContact O-N 3.34Å; V753-E757 HydrophobicContact CG1-CG 4.41Å; V753-E757 WeakPolarHBondContact O-CB 3.13Å; V753-E757 WeakPolarHBondContact O-CG 3.11Å; V753-E757 PolarHBondContact O-N 3.22Å; V753-P763 HydrophobicContact CG1-CB 4.28Å; V753-P763 HydrophobicContact CG1-CG 4.03Å; V753-P763 HydrophobicContact CG2-CB 4.04Å; V753-V767 HydrophobicContact CG2-CG2 4.13Å
754	Q	84.1	Confident	81.8	Confident	31 Å²	31	59.8 Å²	59.8	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-41.8	175.7	-78.1	-179.7	-11.6	0	0	112.8	S583 V750 D751 E757 A758	S583-Q754 WeakPolarHBondContact O-CG 3.48Å; S583-Q754 PolarHBondContact O-NE2 3.15Å; V750-Q754 HydrophobicContact CG1-CG 4.44Å; V750-Q754 WeakPolarHBondContact O-CB 3.11Å; V750-Q754 VanDerWaalsContact O-CG 3.26Å; V750-Q754 WeakPolarHBondContact O-CG 3.34Å; V750-Q754 PolarHBondContact O-N 3.3Å; D751-Q754 PolarHBondContact O-N 2.84Å; Q754-E757 WeakPolarHBondContact O-CB 3.37Å; Q754-E757 PolarHBondContact O-N 3.26Å; Q754-A758 WeakPolarHBondContact O-CB 3.5Å; Q754-A758 PolarHBondContact O-N 3.42Å
755	E	84.5	Confident	80.6	Confident	77 Å²	77	60.6 Å²	60.6	36%	0.36	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-42.2	176.7	-76.4	179.9	178.1	0	0	111.7	K747 D751 E752 V753 A758 L759	K747-E755 WeakPolarHBondContact CE-OE1 3.06Å; K747-E755 IonicContact NZ-OE1 2.88Å; K747-E755 PolarHBondContact NZ-OE1 3.1Å; K747-E755 IonicContact NZ-OE2 2.66Å; K747-E755 PolarHBondContact NZ-OE2 2.86Å; D751-E755 WeakPolarHBondContact O-CG 3.22Å; D751-E755 PolarHBondContact O-N 2.99Å; E752-E755 PolarHBondContact O-N 2.97Å; V753-E755 PolarHBondContact O-N 3.06Å; E755-A758 PolarHBondContact O-N 3.44Å; E755-L759 WeakPolarHBondContact O-CG 3.2Å; E755-L759 PolarHBondContact O-N 3.01Å
756	L	83.9	Confident	79.4	Confident	34 Å²	34	58.6 Å²	58.6	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-68.6	-37.1	177.6	-66.4	171.8	0	0	0	112	E752 V753 L759 S760 K761 P763 V766	E752-L756 WeakPolarHBondContact O-CG 3.47Å; E752-L756 PolarHBondContact O-N 2.99Å; E752-L756 VanDerWaalsContact O-N 3.14Å; V753-L756 PolarHBondContact O-N 3.34Å; L756-L759 CarbonylContact O-C 3.54Å; L756-L759 PolarHBondContact O-N 3.25Å; L756-S760 PolarHBondContact O-N 2.78Å; L756-K761 HydrophobicContact CD2-CB 4.24Å; L756-K761 PolarHBondContact O-N 3.33Å; L756-P763 HydrophobicContact CB-CB 4.4Å; L756-P763 HydrophobicContact CB-CG 4.21Å; L756-P763 HydrophobicContact CD1-CB 4.04Å; L756-V766 HydrophobicContact CD1-CB 4.17Å; L756-V766 HydrophobicContact CD1-CG2 3.65Å
757	E	84.6	Confident	78.3	Confident	22 Å²	22	51.7 Å²	51.7	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-44.6	171.1	-79	-178.4	-177.2	0	0	112.1	C584 R585 N588 V753 Q754 L759 S760	C584-E757 WeakPolarHBondContact CB-OE1 3.39Å; R585-E757 PolarHBondContact N-OE1 2.85Å; R585-E757 PolarHBondContact N-OE2 2.99Å; N588-E757 WeakPolarHBondContact CB-OE1 3.45Å; N588-E757 VanDerWaalsContact ND2-CD 3.32Å; N588-E757 WeakPolarHBondContact ND2-CG 3.33Å; N588-E757 PolarHBondContact ND2-OE1 3.19Å; V753-E757 HydrophobicContact CG1-CG 4.41Å; V753-E757 WeakPolarHBondContact O-CB 3.13Å; V753-E757 WeakPolarHBondContact O-CG 3.11Å; V753-E757 PolarHBondContact O-N 3.22Å; Q754-E757 WeakPolarHBondContact O-CB 3.37Å; Q754-E757 PolarHBondContact O-N 3.26Å; E757-L759 VanDerWaalsContact C-N 3.26Å; E757-L759 PolarHBondContact O-N 3.16Å; E757-S760 PolarHBondContact O-N 3.5Å
758	A	81.6	Confident	77	Confident	84 Å²	84	54.5 Å²	54.5	69%	0.694	31%	0.312	S	S	*	.	H	α-helix	trans	-63.7	-34.4	177.5	0	0	0	0	0	111.9	Q754 E755 S760	Q754-A758 WeakPolarHBondContact O-CB 3.5Å; Q754-A758 PolarHBondContact O-N 3.42Å; E755-A758 PolarHBondContact O-N 3.44Å; A758-S760 VanDerWaalsContact C-N 3.27Å; A758-S760 PolarHBondContact O-N 2.87Å
759	L	82.6	Confident	75.3	Confident	111 Å²	111	55 Å²	55	58%	0.581	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	0.2	174.5	-66.1	172	0	0	0	113.8	E755 L756 E757 K761	E755-L759 WeakPolarHBondContact O-CG 3.2Å; E755-L759 PolarHBondContact O-N 3.01Å; L756-L759 CarbonylContact O-C 3.54Å; L756-L759 PolarHBondContact O-N 3.25Å; E757-L759 VanDerWaalsContact C-N 3.26Å; E757-L759 PolarHBondContact O-N 3.16Å; L759-K761 HydrophobicContact CB-CD 4.42Å; L759-K761 HydrophobicContact CB-CG 4.26Å; L759-K761 PolarHBondContact O-N 3.24Å
760	S	80.2	Confident	73.7	Confident	104 Å²	104	59.2 Å²	59.2	73%	0.727	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	32.8	-174.3	-56.5	0	0	0	0	113.9	L756 E757 A758	L756-S760 PolarHBondContact O-N 2.78Å; E757-S760 PolarHBondContact O-N 3.5Å; A758-S760 VanDerWaalsContact C-N 3.27Å; A758-S760 PolarHBondContact O-N 2.87Å
761	K	79	Confident	71.7	Confident	134 Å²	134	61.1 Å²	61.1	58%	0.583	36%	0.358	S	S	*	.			trans	-102	148.5	175.7	-69.6	-176.6	179.7	-179.4	0	110.5	L756 L759 P763	L756-K761 HydrophobicContact CD2-CB 4.24Å; L756-K761 PolarHBondContact O-N 3.33Å; L759-K761 HydrophobicContact CB-CD 4.42Å; L759-K761 HydrophobicContact CB-CG 4.26Å; L759-K761 PolarHBondContact O-N 3.24Å; K761-P763 WeakPolarHBondContact O-CD 3.35Å
762	D	73.3	Confident	69.8	Low	100 Å²	100	64.4 Å²	64.4	54%	0.535	38%	0.375	S	S	.	.			trans	-69.9	124	177.1	-167.6	5.6	0	0	0	110.6	K591 Y592 G764	K591-D762 IonicContact NZ-OD1 2.78Å; K591-D762 PolarHBondContact NZ-OD1 3.33Å; K591-D762 IonicContact NZ-OD2 2.62Å; K591-D762 PolarHBondContact NZ-OD2 3.25Å; Y592-D762 PolarHBondContact OH-OD1 3.44Å; D762-G764 PolarHBondContact O-N 3.22Å
763	P	73.6	Confident	67.9	Low	2 Å²	2	67.6 Å²	67.6	1%	0.013	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	0.6	-178.8	-18.3	30.4	0	0	0	115.9	Y592 V753 L756 K761 A765 V766 V767	Y592-P763 HydrophobicContact CD2-CB 4.39Å; Y592-P763 HydrophobicContact CE2-CB 3.73Å; Y592-P763 HydrophobicContact CE2-CG 3.93Å; V753-P763 HydrophobicContact CG1-CB 4.28Å; V753-P763 HydrophobicContact CG1-CG 4.03Å; V753-P763 HydrophobicContact CG2-CB 4.04Å; L756-P763 HydrophobicContact CB-CB 4.4Å; L756-P763 HydrophobicContact CB-CG 4.21Å; L756-P763 HydrophobicContact CD1-CB 4.04Å; K761-P763 WeakPolarHBondContact O-CD 3.35Å; P763-A765 VanDerWaalsContact C-N 3.33Å; P763-A765 PolarHBondContact O-N 3.02Å; P763-V766 PolarHBondContact O-N 3.44Å; P763-V766 VanDerWaalsContact O-N 3.12Å; P763-V767 PolarHBondContact O-N 3.4Å
764	G	66.4	Low	66	Low	9 Å²	9	75.1 Å²	75.1	9%	0.093	43%	0.433	C	S	.	.	H	α-helix	trans	-57.7	-40.5	-166.2	0	0	0	0	0	114.3	Y592 D762 V766 Q768	Y592-G764 WeakPolarHBondContact OH-CA 3.49Å; Y592-G764 PolarHBondContact OH-N 3.15Å; D762-G764 PolarHBondContact O-N 3.22Å; G764-V766 VanDerWaalsContact C-N 3.29Å; G764-V766 PolarHBondContact O-N 3.25Å; G764-Q768 VanDerWaalsContact O-CB 3.24Å; G764-Q768 WeakPolarHBondContact O-CB 3.29Å; G764-Q768 VanDerWaalsContact O-CG 3.31Å; G764-Q768 WeakPolarHBondContact O-CG 3.39Å; G764-Q768 PolarHBondContact O-N 2.97Å
765	A	61.4	Low	63.9	Low	83 Å²	83	83.3 Å²	83.3	69%	0.686	46%	0.462	S	S	*	.	H	α-helix	trans	-64.2	-31.6	-178.5	0	0	0	0	0	113.3	P763 G769	P763-A765 VanDerWaalsContact C-N 3.33Å; P763-A765 PolarHBondContact O-N 3.02Å; A765-G769 WeakPolarHBondContact O-CA 3.49Å; A765-G769 PolarHBondContact O-N 3.33Å
766	V	65.7	Low	62.1	Low	46 Å²	46	81.5 Å²	81.5	28%	0.279	46%	0.46	S	S	.	.	H	α-helix	trans	-82	-41	-177.4	175.7	0	0	0	0	111.6	E752 L756 P763 G764 K770	E752-V766 HydrophobicContact CB-CG1 4.02Å; E752-V766 HydrophobicContact CG-CG1 4.41Å; E752-V766 WeakPolarHBondContact OE2-CG1 3.27Å; L756-V766 HydrophobicContact CD1-CB 4.17Å; L756-V766 HydrophobicContact CD1-CG2 3.65Å; P763-V766 PolarHBondContact O-N 3.44Å; P763-V766 VanDerWaalsContact O-N 3.12Å; G764-V766 VanDerWaalsContact C-N 3.29Å; G764-V766 PolarHBondContact O-N 3.25Å; V766-K770 PolarHBondContact O-N 2.82Å
767	V	61.3	Low	60.5	Low	8 Å²	8	84.2 Å²	84.2	5%	0.048	47%	0.472	C	S	.	.	H	α-helix	trans	-69.5	-42.1	177.3	-175.1	0	0	0	0	110.3	Y592 L749 V753 P763	Y592-V767 HydrophobicContact CD1-CB 3.72Å; Y592-V767 HydrophobicContact CD1-CG1 3.66Å; Y592-V767 HydrophobicContact CD1-CG2 3.73Å; Y592-V767 HydrophobicContact CD2-CG2 4.32Å; Y592-V767 HydrophobicContact CE1-CB 4.05Å; Y592-V767 HydrophobicContact CE1-CG1 4.42Å; Y592-V767 HydrophobicContact CE1-CG2 4.12Å; Y592-V767 HydrophobicContact CG-CB 4.32Å; Y592-V767 HydrophobicContact CG-CG1 4.22Å; Y592-V767 HydrophobicContact CG-CG2 3.84Å; L749-V767 HydrophobicContact CD1-CG2 4.48Å; V753-V767 HydrophobicContact CG2-CG2 4.13Å; P763-V767 PolarHBondContact O-N 3.4Å
768	Q	55.7	Low	58.7	Low	143 Å²	143	88.3 Å²	88.3	67%	0.668	49%	0.494	S	S	*	.	H	α-helix	trans	-73.3	-31.7	176.8	-68.2	176.7	-9.2	0	0	113.1	G764 K770 S771	G764-Q768 VanDerWaalsContact O-CB 3.24Å; G764-Q768 WeakPolarHBondContact O-CB 3.29Å; G764-Q768 VanDerWaalsContact O-CG 3.31Å; G764-Q768 WeakPolarHBondContact O-CG 3.39Å; G764-Q768 PolarHBondContact O-N 2.97Å; Q768-K770 VanDerWaalsContact C-N 3.31Å; Q768-K770 PolarHBondContact O-N 3.11Å; Q768-S771 WeakPolarHBondContact O-CB 3.39Å; Q768-S771 PolarHBondContact O-N 3.28Å; Q768-S771 VanDerWaalsContact O-O 3.1Å
769	G	45.3	Very low	57.1	Low	60 Å²	60	89.4 Å²	89.4	62%	0.619	49%	0.488	S	S	*	.	H	α-helix	trans	-70.8	-19.7	-179.6	0	0	0	0	0	115.2	A765	A765-G769 WeakPolarHBondContact O-CA 3.49Å; A765-G769 PolarHBondContact O-N 3.33Å
770	K	49.7	Very low	55.4	Low	121 Å²	121	90 Å²	90	53%	0.526	49%	0.486	S	S	.	.	H	α-helix	trans	-92.8	-17.2	171.9	-73.8	179.2	179.1	165.5	0	113.1	L749 E752 V766 Q768 L772	L749-K770 HydrophobicContact CD1-CD 4.48Å; E752-K770 IonicContact OE1-NZ 3.1Å; E752-K770 PolarHBondContact OE1-NZ 2.98Å; E752-K770 IonicContact OE2-NZ 3.99Å; E752-K770 PolarHBondContact OE2-NZ 3.3Å; V766-K770 PolarHBondContact O-N 2.82Å; Q768-K770 VanDerWaalsContact C-N 3.31Å; Q768-K770 PolarHBondContact O-N 3.11Å; K770-L772 PolarHBondContact O-N 2.91Å
771	S	40.9	Very low	53.8	Low	57 Å²	57	89.1 Å²	89.1	40%	0.399	47%	0.473	S	S	.	.	S	Bend	trans	-67.8	115.8	162.2	-175.6	0	0	0	0	107.2	Q768 T773	Q768-S771 WeakPolarHBondContact O-CB 3.39Å; Q768-S771 PolarHBondContact O-N 3.28Å; Q768-S771 VanDerWaalsContact O-O 3.1Å; S771-T773 PolarHBondContact O-N 2.99Å; S771-T773 VanDerWaalsContact O-N 3.14Å
772	L	42.8	Very low	52.3	Low	89 Å²	89	87.2 Å²	87.2	47%	0.466	47%	0.472	S	S	.	.			trans	-31.4	117.9	-177	-75.1	158.1	0	0	0	112.4	K770 E774 A776	K770-L772 PolarHBondContact O-N 2.91Å; L772-E774 PolarHBondContact O-N 3.45Å; L772-A776 HydrophobicContact CB-CB 4.29Å; L772-A776 HydrophobicContact CD2-CB 3.77Å
773	T	44.6	Very low	50.9	Low	105 Å²	105	90.2 Å²	90.2	64%	0.644	48%	0.481	S	S	*	.			trans	-36.7	130.1	168.3	-30.3	0	0	0	0	109.1	S771 R775 A776 Q777	S771-T773 PolarHBondContact O-N 2.99Å; S771-T773 VanDerWaalsContact O-N 3.14Å; T773-R775 CarbonylContact O-C 3.59Å; T773-R775 PolarHBondContact O-N 3.34Å; T773-A776 PolarHBondContact O-N 3.16Å; T773-Q777 PolarHBondContact O-N 3.22Å
774	E	44.1	Very low	49.6	Very low	158 Å²	158	92.9 Å²	92.9	74%	0.738	49%	0.492	S	S	*	.	H	α-helix	trans	-44.3	-31	-174.6	-75.7	178	134.3	0	0	113.7	L772 Q777 L778	L772-E774 PolarHBondContact O-N 3.45Å; E774-Q777 PolarHBondContact O-N 3.27Å; E774-L778 VanDerWaalsContact O-CB 3.31Å; E774-L778 WeakPolarHBondContact O-CB 3.4Å; E774-L778 WeakPolarHBondContact O-CD1 3.4Å; E774-L778 WeakPolarHBondContact O-CG 3.22Å; E774-L778 PolarHBondContact O-N 3.03Å
775	R	41	Very low	48.5	Very low	203 Å²	203	99.4 Å²	99.4	77%	0.766	52%	0.518	S	S	*	.	H	α-helix	trans	-62.8	-40.8	173.2	-69.8	-174.7	175.4	-174.7	-1.4	115.1	T773 L779	T773-R775 CarbonylContact O-C 3.59Å; T773-R775 PolarHBondContact O-N 3.34Å; R775-L779 PolarHBondContact O-N 3.32Å
776	A	47.2	Very low	47.8	Very low	38 Å²	38	98.9 Å²	98.9	31%	0.314	51%	0.509	S	S	.	.	H	α-helix	trans	-74.1	-31.9	176.1	0	0	0	0	0	111.6	L772 T773 K780	L772-A776 HydrophobicContact CB-CB 4.29Å; L772-A776 HydrophobicContact CD2-CB 3.77Å; T773-A776 PolarHBondContact O-N 3.16Å; A776-K780 WeakPolarHBondContact O-CB 3.44Å; A776-K780 PolarHBondContact O-N 3.31Å
777	Q	48.8	Very low	47	Very low	92 Å²	92	99.5 Å²	99.5	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-68.9	-40.3	171.9	-145.1	170.3	6.8	0	0	111.2	T773 E774 K780 N781	T773-Q777 PolarHBondContact O-N 3.22Å; E774-Q777 PolarHBondContact O-N 3.27Å; Q777-K780 PolarHBondContact O-N 3.47Å; Q777-N781 WeakPolarHBondContact O-CB 3.21Å; Q777-N781 PolarHBondContact O-N 3.01Å; Q777-N781 PolarHBondContact O-ND2 3.25Å; Q777-N781 PolarHBondContact O-OD1 3.35Å
778	L	48	Very low	46.5	Very low	108 Å²	108	100.7 Å²	100.7	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-61.4	-45.7	171.1	-78.4	162.4	0	0	0	111.9	E774 N781 V782	E774-L778 VanDerWaalsContact O-CB 3.31Å; E774-L778 WeakPolarHBondContact O-CB 3.4Å; E774-L778 WeakPolarHBondContact O-CD1 3.4Å; E774-L778 WeakPolarHBondContact O-CG 3.22Å; E774-L778 PolarHBondContact O-N 3.03Å; L778-N781 PolarHBondContact O-N 3.44Å; L778-V782 VanDerWaalsContact O-CG2 3.27Å; L778-V782 WeakPolarHBondContact O-CG2 3.5Å; L778-V782 PolarHBondContact O-N 3.25Å
779	L	47.1	Very low	46.1	Very low	107 Å²	107	97 Å²	97	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-63.4	-42.2	175.2	-84.7	159.3	0	0	0	112.4	R775 N781 V782 F783	R775-L779 PolarHBondContact O-N 3.32Å; L779-N781 VanDerWaalsContact C-N 3.31Å; L779-N781 PolarHBondContact O-N 2.94Å; L779-V782 PolarHBondContact O-N 3.04Å; L779-F783 WeakPolarHBondContact O-CD2 3.32Å; L779-F783 PolarHBondContact O-N 2.98Å
780	K	47.3	Very low	46	Very low	124 Å²	124	99 Å²	99	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-39	174.5	-161.9	176	-176.1	-179.4	0	111.5	A776 Q777 V782 F783 K784	A776-K780 WeakPolarHBondContact O-CB 3.44Å; A776-K780 PolarHBondContact O-N 3.31Å; Q777-K780 PolarHBondContact O-N 3.47Å; K780-V782 VanDerWaalsContact C-N 3.33Å; K780-F783 PolarHBondContact O-N 3.5Å; K780-K784 WeakPolarHBondContact O-CB 3.46Å; K780-K784 PolarHBondContact O-N 3.35Å
781	N	45.9	Very low	45.9	Very low	85 Å²	85	94.3 Å²	94.3	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-68.8	-28.4	175.8	-70.6	-13	0	0	0	113	Q777 L778 L779 K785	Q777-N781 WeakPolarHBondContact O-CB 3.21Å; Q777-N781 PolarHBondContact O-N 3.01Å; Q777-N781 PolarHBondContact O-ND2 3.25Å; Q777-N781 PolarHBondContact O-OD1 3.35Å; L778-N781 PolarHBondContact O-N 3.44Å; L779-N781 VanDerWaalsContact C-N 3.31Å; L779-N781 PolarHBondContact O-N 2.94Å; N781-K785 WeakPolarHBondContact O-CB 3.34Å; N781-K785 PolarHBondContact O-N 3.47Å
782	V	47.4	Very low	46	Very low	94 Å²	94	98.3 Å²	98.3	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-72	-40.6	174.8	171.3	0	0	0	0	111.4	L778 L779 K780 K785	L778-V782 VanDerWaalsContact O-CG2 3.27Å; L778-V782 WeakPolarHBondContact O-CG2 3.5Å; L778-V782 PolarHBondContact O-N 3.25Å; L779-V782 PolarHBondContact O-N 3.04Å; K780-V782 VanDerWaalsContact C-N 3.33Å; V782-K785 WeakPolarHBondContact O-CB 3.19Å
783	F	44.7	Very low	45.7	Very low	163 Å²	163	98.7 Å²	98.7	72%	0.715	50%	0.502	S	S	*	.	H	α-helix	trans	-76.9	-35.8	176.2	-77.5	-80	0	0	0	113.5	L779 K780 K785 S786	L779-F783 WeakPolarHBondContact O-CD2 3.32Å; L779-F783 PolarHBondContact O-N 2.98Å; K780-F783 PolarHBondContact O-N 3.5Å; F783-K785 PolarHBondContact O-N 3.28Å; F783-S786 PolarHBondContact O-OG 2.88Å
784	K	46	Very low	45.3	Very low	57 Å²	57	100 Å²	100	25%	0.248	50%	0.501	C	S	.	.	H	α-helix	trans	-66.2	-21.1	171.8	-102.7	-173.6	167	-171.7	0	113.4	E406 D408 K780 S786 V788	E406-K784 PolarHBondContact O-NZ 3.29Å; D408-K784 IonicContact OD2-NZ 3.33Å; D408-K784 PolarHBondContact OD2-NZ 3.11Å; K780-K784 WeakPolarHBondContact O-CB 3.46Å; K780-K784 PolarHBondContact O-N 3.35Å; K784-S786 PolarHBondContact O-N 3.4Å; K784-V788 PolarHBondContact O-N 3.49Å
785	K	44.3	Very low	44.9	Very low	146 Å²	146	94.3 Å²	94.3	64%	0.635	48%	0.478	S	S	*	.	H	α-helix	trans	-60.6	-27.1	-177.7	-121.5	178	179.4	-177.8	0	112.8	N781 V782 F783 S789	N781-K785 WeakPolarHBondContact O-CB 3.34Å; N781-K785 PolarHBondContact O-N 3.47Å; V782-K785 WeakPolarHBondContact O-CB 3.19Å; F783-K785 PolarHBondContact O-N 3.28Å; K785-S789 WeakPolarHBondContact O-CB 3.35Å; K785-S789 PolarHBondContact O-N 3.11Å; K785-S789 PolarHBondContact O-OG 3.23Å
786	S	46.4	Very low	44.5	Very low	72 Å²	72	91.6 Å²	91.6	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-51.5	-177.6	64.2	0	0	0	0	112.9	F783 K784 S789 L790	F783-S786 PolarHBondContact O-OG 2.88Å; K784-S786 PolarHBondContact O-N 3.4Å; S786-S789 PolarHBondContact O-N 3.1Å; S786-S789 PolarHBondContact O-OG 3Å; S786-L790 PolarHBondContact O-N 2.84Å
787	T	49.4	Very low	44	Very low	60 Å²	60	93.8 Å²	93.8	37%	0.368	48%	0.48	S	S	.	.	H	α-helix	trans	-73.2	-37.2	-178.6	-0.7	0	0	0	0	113.2	L790 Y791	T787-L790 PolarHBondContact O-N 3.37Å; T787-Y791 PolarHBondContact O-N 3.35Å
788	V	49.3	Very low	43.5	Very low	32 Å²	32	97.6 Å²	97.6	19%	0.194	50%	0.498	C	S	.	.	H	α-helix	trans	-71.8	-32.8	176.6	179.7	0	0	0	0	111.2	F409 K784 L790 Y791 R792	F409-V788 HydrophobicContact CZ-CG2 4.15Å; K784-V788 PolarHBondContact O-N 3.49Å; V788-L790 VanDerWaalsContact C-N 3.34Å; V788-Y791 PolarHBondContact O-N 3.27Å; V788-R792 PolarHBondContact O-N 3.45Å
789	S	46.9	Very low	43	Very low	67 Å²	67	97.9 Å²	97.9	47%	0.469	50%	0.5	S	S	.	.	H	α-helix	trans	-66.7	-33.5	175.7	70.8	0	0	0	0	113.4	K785 S786 R792 S793	K785-S789 WeakPolarHBondContact O-CB 3.35Å; K785-S789 PolarHBondContact O-N 3.11Å; K785-S789 PolarHBondContact O-OG 3.23Å; S786-S789 PolarHBondContact O-N 3.1Å; S786-S789 PolarHBondContact O-OG 3Å; S789-R792 WeakPolarHBondContact O-CB 3.48Å; S789-R792 PolarHBondContact O-N 2.99Å; S789-S793 PolarHBondContact O-N 3.34Å; S789-S793 VanDerWaalsContact O-N 3.11Å
790	L	44.8	Very low	42.8	Very low	101 Å²	101	98.2 Å²	98.2	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-45.9	174.2	-103.9	142.8	0	0	0	111.7	S786 T787 V788 R792 S793 E794	S786-L790 PolarHBondContact O-N 2.84Å; T787-L790 PolarHBondContact O-N 3.37Å; V788-L790 VanDerWaalsContact C-N 3.34Å; L790-R792 VanDerWaalsContact C-N 3.3Å; L790-R792 PolarHBondContact O-N 3.08Å; L790-S793 PolarHBondContact O-N 2.91Å; L790-S793 PolarHBondContact O-OG 3.38Å; L790-E794 PolarHBondContact O-N 2.79Å
791	Y	46.5	Very low	43.1	Very low	23 Å²	23	96.6 Å²	96.6	9%	0.09	50%	0.498	C	S	.	.	H	α-helix	trans	-69	-27.4	173.1	-90.4	-82.9	0	0	0	113	L378 H395 L398 F409 T787 V788 S793 S795	L378-Y791 HydrophobicContact CD2-CD1 3.61Å; L378-Y791 HydrophobicContact CD2-CE1 3.18Å; H395-Y791 AromaticContact CE1-CE1 3.82Å; H395-Y791 AromaticContact ND1-CE1 3.6Å; H395-Y791 AromaticContact ND1-CZ 3.64Å; H395-Y791 PolarHBondContact ND1-OH 3.46Å; L398-Y791 HydrophobicContact CB-CE2 4.33Å; L398-Y791 HydrophobicContact CD1-CE1 4.45Å; L398-Y791 HydrophobicContact CD1-CE2 4.24Å; L398-Y791 VanDerWaalsContact CD1-OH 3.28Å; L398-Y791 WeakPolarHBondContact CD1-OH 3.34Å; F409-Y791 HydrophobicContact CE1-CD2 4.01Å; F409-Y791 HydrophobicContact CE1-CG 4.03Å; F409-Y791 AromaticContact CZ-CD2 3.85Å; F409-Y791 HydrophobicContact CZ-CD2 3.85Å; F409-Y791 HydrophobicContact CZ-CE2 4.39Å; F409-Y791 HydrophobicContact CZ-CG 4.35Å; T787-Y791 PolarHBondContact O-N 3.35Å; V788-Y791 PolarHBondContact O-N 3.27Å; Y791-S793 VanDerWaalsContact C-N 3.3Å; Y791-S793 PolarHBondContact O-N 3.01Å; Y791-S795 WeakPolarHBondContact O-CA 3.42Å; Y791-S795 WeakPolarHBondContact O-CB 3.45Å; Y791-S795 PolarHBondContact O-N 3.26Å; Y791-S795 PolarHBondContact O-OG 2.87Å
792	R	43.7	Very low	43.8	Very low	141 Å²	141	93.8 Å²	93.8	53%	0.532	48%	0.482	S	S	.	.	H	α-helix	trans	-70.8	-24.7	175.1	-123.8	179.8	-169.3	171.5	5.9	113.1	V788 S789 L790	V788-R792 PolarHBondContact O-N 3.45Å; S789-R792 WeakPolarHBondContact O-CB 3.48Å; S789-R792 PolarHBondContact O-N 2.99Å; L790-R792 VanDerWaalsContact C-N 3.3Å; L790-R792 PolarHBondContact O-N 3.08Å
793	S	35.6	Very low	44.4	Very low	97 Å²	97	89.7 Å²	89.7	68%	0.678	46%	0.459	S	S	*	.	H	α-helix	trans	-87.2	-27.4	175.3	63.4	0	0	0	0	113.6	S789 L790 Y791	S789-S793 PolarHBondContact O-N 3.34Å; S789-S793 VanDerWaalsContact O-N 3.11Å; L790-S793 PolarHBondContact O-N 2.91Å; L790-S793 PolarHBondContact O-OG 3.38Å; Y791-S793 VanDerWaalsContact C-N 3.3Å; Y791-S793 PolarHBondContact O-N 3.01Å
794	E	37.2	Very low	46	Very low	133 Å²	133	83 Å²	83	62%	0.621	43%	0.429	S	S	*	.	H	α-helix	trans	-97.2	-23.8	177.9	-80.2	-172	158.4	0	0	114.5	L790 M796	L790-E794 PolarHBondContact O-N 2.79Å; E794-M796 PolarHBondContact O-N 3.02Å
795	S	35	Very low	47.3	Very low	38 Å²	38	80.4 Å²	80.4	27%	0.266	42%	0.419	S	S	.	.	S	Bend	trans	-68.1	121.2	173.5	58.4	0	0	0	0	108.7	Y791 Q797	Y791-S795 WeakPolarHBondContact O-CA 3.42Å; Y791-S795 WeakPolarHBondContact O-CB 3.45Å; Y791-S795 PolarHBondContact O-N 3.26Å; Y791-S795 PolarHBondContact O-OG 2.87Å; S795-Q797 PolarHBondContact O-N 2.94Å
796	M	33	Very low	48.8	Very low	146 Å²	146	73.8 Å²	73.8	72%	0.719	39%	0.39	S	S	*	.			trans	-63.2	57.8	171	-152.5	-170.4	-68.3	0	0	109.8	E794 Q798	E794-M796 PolarHBondContact O-N 3.02Å; M796-Q798 PolarHBondContact O-N 3.47Å; M796-Q798 VanDerWaalsContact O-N 3.12Å
797	Q	36.4	Very low	50.2	Low	84 Å²	84	72.1 Å²	72.1	39%	0.393	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.6	-167.8	-155	165.9	12.6	0	0	112.3	S795 L801	S795-Q797 PolarHBondContact O-N 2.94Å; Q797-L801 HydrophobicContact CG-CD1 4.06Å; Q797-L801 VanDerWaalsContact O-CD1 3.29Å; Q797-L801 WeakPolarHBondContact O-CD1 3.38Å
798	Q	38.1	Very low	51.6	Low	171 Å²	171	70.4 Å²	70.4	80%	0.799	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-16	-175.9	-79.4	-179	-33.4	0	0	115.2	M796	M796-Q798 PolarHBondContact O-N 3.47Å; M796-Q798 VanDerWaalsContact O-N 3.12Å
799	N	37.8	Very low	52.7	Low	114 Å²	114	73.8 Å²	73.8	61%	0.61	38%	0.383	S	S	*	.	S	Bend	trans	-106.9	0.4	-168.5	-70.3	-11.6	0	0	0	115.7
800	L	44.3	Very low	53.9	Low	115 Å²	115	72.7 Å²	72.7	60%	0.602	37%	0.37	S	S	*	.	S	Bend	trans	-123.7	7.1	-171.1	-90	158.2	0	0	0	115.5
801	L	52.2	Low	55.1	Low	89 Å²	89	75.5 Å²	75.5	47%	0.466	39%	0.386	S	S	.	.			trans	-123.2	26.1	-149.5	-103.7	149.9	0	0	0	118	Q797	Q797-L801 HydrophobicContact CG-CD1 4.06Å; Q797-L801 VanDerWaalsContact O-CD1 3.29Å; Q797-L801 WeakPolarHBondContact O-CD1 3.38Å
802	H	60.2	Low	56	Low	27 Å²	27	76.1 Å²	76.1	13%	0.125	40%	0.399	C	S	.	.	S	Bend	trans	-100.1	13.9	178.6	-62.5	89.6	0	0	0	115	D244 E266 A269 T275 Y804	D244-H802 HydrophobicContact CB-CB 4.49Å; D244-H802 VanDerWaalsContact CG-CB 3.44Å; D244-H802 WeakPolarHBondContact OD2-CB 3.25Å; D244-H802 IonicContact OD2-CD2 2.82Å; D244-H802 IonicContact OD2-CG 3.82Å; D244-H802 IonicContact OD2-ND1 3.71Å; D244-H802 PolarHBondContact OD2-ND1 3.38Å; E266-H802 WeakPolarHBondContact CG-CD2 3.49Å; E266-H802 IonicContact OE1-CD2 3.21Å; E266-H802 IonicContact OE1-NE2 3.29Å; E266-H802 PolarHBondContact OE1-NE2 3.41Å; E266-H802 VanDerWaalsContact OE1-NE2 3.12Å; A269-H802 VanDerWaalsContact CB-C 3.44Å; T275-H802 PolarHBondContact OG1-O 3.28Å; H802-Y804 VanDerWaalsContact C-N 3.31Å; H802-Y804 PolarHBondContact O-N 2.99Å
803	G	60.3	Low	57.5	Low	8 Å²	8	76.8 Å²	76.8	8%	0.082	42%	0.418	C	S	.	.			trans	76	8.8	166.6	0	0	0	0	0	115.9	R274 T275 N363 A805	R274-G803 WeakPolarHBondContact CA-O 3.35Å; T275-G803 PolarHBondContact N-O 2.91Å; N363-G803 PolarHBondContact ND2-O 3.5Å; G803-A805 PolarHBondContact O-N 2.87Å
804	Y	78.7	Confident	59.4	Low	22 Å²	22	75.9 Å²	75.9	9%	0.086	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-58.8	127.5	178.5	168.4	-102.6	0	0	0	111.9	F218 K223 A243 T275 L276 E359 H802 F806	F218-Y804 VanDerWaalsContact CE2-OH 3.25Å; F218-Y804 WeakPolarHBondContact CE2-OH 3.26Å; F218-Y804 WeakPolarHBondContact CZ-OH 3.26Å; K223-Y804 HydrophobicContact CB-CE1 4.03Å; K223-Y804 HydrophobicContact CD-CE1 3.98Å; K223-Y804 HydrophobicContact CG-CE1 4.21Å; K223-Y804 PolarHBondContact O-OH 3.36Å; A243-Y804 VanDerWaalsContact CA-CE2 3.45Å; A243-Y804 HydrophobicContact CB-CD1 3.5Å; A243-Y804 HydrophobicContact CB-CD2 3.38Å; A243-Y804 HydrophobicContact CB-CE1 3.68Å; A243-Y804 HydrophobicContact CB-CE2 3.53Å; A243-Y804 HydrophobicContact CB-CG 3.33Å; T275-Y804 WeakPolarHBondContact O-CD2 3.31Å; T275-Y804 PolarHBondContact OG1-N 3.47Å; L276-Y804 HydrophobicContact CD2-CD2 3.95Å; L276-Y804 HydrophobicContact CD2-CE2 3.54Å; E359-Y804 WeakPolarHBondContact CB-O 3.5Å; H802-Y804 VanDerWaalsContact C-N 3.31Å; H802-Y804 PolarHBondContact O-N 2.99Å; Y804-F806 HydrophobicContact CE2-CB 3.93Å
805	A	73.6	Confident	61.4	Low	3 Å²	3	70.9 Å²	70.9	3%	0.025	39%	0.389	C	S	.	.			trans	-151	136.1	167.1	0	0	0	0	0	109.5	R274 G803	R274-A805 HydrophobicContact CB-CB 4.13Å; R274-A805 HydrophobicContact CG-CB 3.85Å; G803-A805 PolarHBondContact O-N 2.87Å
806	F	74.9	Confident	63.4	Low	7 Å²	7	70.4 Å²	70.4	3%	0.031	38%	0.382	C	S	.	.			trans	-148.1	129.8	178.8	-169.5	-107.8	0	0	0	111	D176 E177 F218 L276 Y804 Q808	D176-F806 HydrophobicContact CB-CD2 3.8Å; D176-F806 HydrophobicContact CB-CE2 3.8Å; D176-F806 WeakPolarHBondContact OD2-CA 3.44Å; E177-F806 HydrophobicContact CG-CE2 4.03Å; E177-F806 HydrophobicContact CG-CZ 3.73Å; F218-F806 HydrophobicContact CB-CE1 4.45Å; F218-F806 HydrophobicContact CD1-CD1 4.12Å; F218-F806 HydrophobicContact CD1-CE1 4.24Å; F218-F806 AromaticContact CD2-CD1 3.71Å; F218-F806 HydrophobicContact CD2-CD1 3.71Å; F218-F806 AromaticContact CD2-CE1 3.84Å; F218-F806 HydrophobicContact CD2-CE1 3.84Å; F218-F806 AromaticContact CE1-CD1 3.93Å; F218-F806 HydrophobicContact CE1-CD1 3.93Å; F218-F806 HydrophobicContact CE2-CB 4.48Å; F218-F806 AromaticContact CE2-CD1 3.5Å; F218-F806 HydrophobicContact CE2-CD1 3.5Å; F218-F806 HydrophobicContact CE2-CE1 4.13Å; F218-F806 HydrophobicContact CE2-CG 4.36Å; F218-F806 HydrophobicContact CG-CD1 4.02Å; F218-F806 AromaticContact CG-CE1 3.9Å; F218-F806 HydrophobicContact CG-CE1 3.9Å; F218-F806 HydrophobicContact CZ-CB 4.4Å; F218-F806 AromaticContact CZ-CD1 3.63Å; F218-F806 HydrophobicContact CZ-CD1 3.63Å; F218-F806 HydrophobicContact CZ-CE1 4.46Å; F218-F806 HydrophobicContact CZ-CG 4.49Å; L276-F806 HydrophobicContact CD1-CD2 3.81Å; L276-F806 HydrophobicContact CD1-CE2 4.04Å; L276-F806 HydrophobicContact CD2-CB 4.35Å; L276-F806 HydrophobicContact CD2-CD2 4.09Å; L276-F806 HydrophobicContact CD2-CG 4.41Å; L276-F806 HydrophobicContact CG-CD2 4.48Å; Y804-F806 HydrophobicContact CE2-CB 3.93Å; F806-Q808 HydrophobicContact CD1-CB 4.37Å; F806-Q808 HydrophobicContact CE1-CB 3.91Å
807	S	76.4	Confident	65.6	Low	37 Å²	37	64.9 Å²	64.9	26%	0.259	36%	0.358	S	S	.	.			trans	-109.8	123.3	179.6	-66.2	0	0	0	0	110.8	S174 D176	S174-S807 WeakPolarHBondContact CA-O 3.3Å; S174-S807 WeakPolarHBondContact CB-O 3.29Å; S174-S807 PolarHBondContact OG-O 3.49Å; D176-S807 PolarHBondContact OD2-N 3.26Å
808	Q	78	Confident	67.7	Low	23 Å²	23	65.8 Å²	65.8	11%	0.107	36%	0.362	C	S	.	.			trans	-149.2	151.8	173.2	-173.2	162.3	16.7	0	0	109.8	F218 F806	F218-Q808 HydrophobicContact CD1-CB 3.95Å; F218-Q808 HydrophobicContact CE1-CB 4.5Å; F806-Q808 HydrophobicContact CD1-CB 4.37Å; F806-Q808 HydrophobicContact CE1-CB 3.91Å
809	D	72.7	Confident	69.6	Low	104 Å²	104	59.5 Å²	59.5	56%	0.556	34%	0.335	S	S	*	.			trans	-71.8	126.2	172.7	-165	9.8	0	0	0	110.3
810	E	72.1	Confident	71.5	Confident	43 Å²	43	54.1 Å²	54.1	20%	0.201	31%	0.306	C	S	.	.			trans	-123.2	140.5	-172.4	-63.7	176.3	-146.2	0	0	109.4	F218 S220 K357 G812	F218-E810 HydrophobicContact CD1-CG 4.35Å; F218-E810 WeakPolarHBondContact CE1-OE1 3.42Å; S220-E810 VanDerWaalsContact CB-OE1 3.29Å; S220-E810 WeakPolarHBondContact CB-OE1 3.34Å; S220-E810 WeakPolarHBondContact CB-OE2 3.46Å; S220-E810 PolarHBondContact N-OE1 3.08Å; S220-E810 PolarHBondContact N-OE2 3.23Å; S220-E810 PolarHBondContact OG-OE2 2.77Å; K357-E810 IonicContact NZ-OE1 3.41Å; K357-E810 PolarHBondContact NZ-OE1 3.19Å; E810-G812 VanDerWaalsContact C-N 3.27Å; E810-G812 PolarHBondContact O-N 2.8Å
811	N	70	Confident	73.3	Confident	161 Å²	161	54.7 Å²	54.7	86%	0.861	30%	0.301	S	S	*	.	S	Bend	trans	59.1	28.9	178.5	-47	-62.8	0	0	0	115.3
812	G	65.4	Low	74.5	Confident	35 Å²	35	54.2 Å²	54.2	36%	0.361	31%	0.31	S	S	.	.			trans	-61.2	163	170.4	0	0	0	0	0	112.6	E810 V814	E810-G812 VanDerWaalsContact C-N 3.27Å; E810-G812 PolarHBondContact O-N 2.8Å; G812-V814 PolarHBondContact O-N 2.79Å
813	V	75.5	Confident	75.2	Confident	155 Å²	155	59 Å²	59	94%	0.939	33%	0.328	S	S	*	.	S	Bend	trans	-57.1	-33	177.5	179.3	0	0	0	0	111.6
814	V	76.7	Confident	76.3	Confident	78 Å²	78	60.7 Å²	60.7	47%	0.473	34%	0.335	S	S	.	.	S	Bend	trans	-119.6	128.7	173.4	-173.4	0	0	0	0	107.4	G812 E818 V819	G812-V814 PolarHBondContact O-N 2.79Å; V814-E818 HydrophobicContact CG1-CB 3.65Å; V814-V819 HydrophobicContact CB-CG2 4.31Å; V814-V819 HydrophobicContact CG1-CG2 3.77Å
815	S	77.4	Confident	76.3	Confident	29 Å²	29	61.8 Å²	61.8	20%	0.203	34%	0.344	C	S	.	.			trans	-73.4	155.4	178.7	68.7	0	0	0	0	111.2	E217 S817 E818 V819	E217-S815 WeakPolarHBondContact OE1-CB 3.49Å; E217-S815 PolarHBondContact OE1-OG 2.84Å; S815-S817 PolarHBondContact O-N 3.31Å; S815-S817 PolarHBondContact OG-OG 3.18Å; S815-E818 WeakPolarHBondContact CB-OE2 3.26Å; S815-E818 PolarHBondContact N-OE2 3.5Å; S815-E818 PolarHBondContact O-N 3Å; S815-E818 VanDerWaalsContact O-N 3.08Å; S815-E818 WeakPolarHBondContact OG-CB 3.46Å; S815-E818 WeakPolarHBondContact OG-CG 3.36Å; S815-E818 PolarHBondContact OG-N 3.5Å; S815-E818 PolarHBondContact OG-OE2 3.36Å; S815-V819 WeakPolarHBondContact O-CG2 3.38Å; S815-V819 PolarHBondContact O-N 3.23Å
816	Q	78.3	Confident	76.4	Confident	27 Å²	27	65.3 Å²	65.3	13%	0.126	37%	0.365	C	S	.	.	H	α-helix	trans	-63.3	-31.2	-177.3	-67.2	-66.1	-50.9	0	0	112.2	T158 E217 V819 I820	T158-Q816 HydrophobicContact CG2-CB 3.87Å; T158-Q816 PolarHBondContact OG1-OE1 3.15Å; E217-Q816 PolarHBondContact OE1-N 2.81Å; Q816-V819 PolarHBondContact O-N 3.32Å; Q816-I820 WeakPolarHBondContact O-CG1 3.25Å; Q816-I820 WeakPolarHBondContact O-CG2 3.47Å; Q816-I820 PolarHBondContact O-N 3.36Å; Q816-I820 VanDerWaalsContact O-N 3.12Å
817	S	78.1	Confident	76.3	Confident	30 Å²	30	72.1 Å²	72.1	21%	0.21	40%	0.395	C	S	.	.	H	α-helix	trans	-69.3	-32.1	174.9	60.5	0	0	0	0	112.8	E217 S815 I820 R821	E217-S817 WeakPolarHBondContact OE1-CA 3.46Å; E217-S817 WeakPolarHBondContact OE1-CB 3.27Å; E217-S817 PolarHBondContact OE1-N 2.71Å; E217-S817 PolarHBondContact OE1-OG 3.49Å; S815-S817 PolarHBondContact O-N 3.31Å; S815-S817 PolarHBondContact OG-OG 3.18Å; S817-I820 WeakPolarHBondContact O-CG1 3.34Å; S817-R821 WeakPolarHBondContact O-CG 3.39Å; S817-R821 PolarHBondContact O-N 3.48Å
818	E	81.1	Confident	75.4	Confident	104 Å²	104	79.5 Å²	79.5	49%	0.486	43%	0.425	S	S	.	.	H	α-helix	trans	-75.4	-40.6	171.8	-73.3	161.5	162.4	0	0	111.4	V814 S815 I820 R821 A822	V814-E818 HydrophobicContact CG1-CB 3.65Å; S815-E818 WeakPolarHBondContact CB-OE2 3.26Å; S815-E818 PolarHBondContact N-OE2 3.5Å; S815-E818 PolarHBondContact O-N 3Å; S815-E818 VanDerWaalsContact O-N 3.08Å; S815-E818 WeakPolarHBondContact OG-CB 3.46Å; S815-E818 WeakPolarHBondContact OG-CG 3.36Å; S815-E818 PolarHBondContact OG-N 3.5Å; S815-E818 PolarHBondContact OG-OE2 3.36Å; E818-I820 PolarHBondContact O-N 3.45Å; E818-R821 PolarHBondContact O-N 3.02Å; E818-A822 PolarHBondContact O-N 3.1Å
819	V	78.9	Confident	74.1	Confident	38 Å²	38	88.6 Å²	88.6	23%	0.23	46%	0.458	C	S	.	.	H	α-helix	trans	-54.7	-53.8	175.8	172	0	0	0	0	110.1	V814 S815 Q816 R821 A822 Y823	V814-V819 HydrophobicContact CB-CG2 4.31Å; V814-V819 HydrophobicContact CG1-CG2 3.77Å; S815-V819 WeakPolarHBondContact O-CG2 3.38Å; S815-V819 PolarHBondContact O-N 3.23Å; Q816-V819 PolarHBondContact O-N 3.32Å; V819-R821 PolarHBondContact O-N 2.92Å; V819-A822 PolarHBondContact O-N 3.41Å; V819-A822 VanDerWaalsContact O-N 3.09Å; V819-Y823 HydrophobicContact CG1-CD2 4.07Å; V819-Y823 HydrophobicContact CG1-CE2 3.94Å; V819-Y823 WeakPolarHBondContact O-CD2 3.49Å; V819-Y823 PolarHBondContact O-N 3.31Å
820	I	77.8	Confident	72.4	Confident	1 Å²	1	89.1 Å²	89.1	1%	0.005	47%	0.47	C	S	.	.	H	α-helix	trans	-62.9	-27.8	-178.4	60.8	177	0	0	0	113.6	T158 R194 L212 V215 Q816 S817 E818	T158-I820 HydrophobicContact CG2-CG2 3.95Å; R194-I820 VanDerWaalsContact CZ-CG2 3.46Å; L212-I820 HydrophobicContact CD2-CD1 3.94Å; V215-I820 HydrophobicContact CB-CD1 4.07Å; V215-I820 HydrophobicContact CG1-CD1 4.47Å; V215-I820 HydrophobicContact CG2-CD1 3.36Å; Q816-I820 WeakPolarHBondContact O-CG1 3.25Å; Q816-I820 WeakPolarHBondContact O-CG2 3.47Å; Q816-I820 PolarHBondContact O-N 3.36Å; Q816-I820 VanDerWaalsContact O-N 3.12Å; S817-I820 WeakPolarHBondContact O-CG1 3.34Å; E818-I820 PolarHBondContact O-N 3.45Å
821	R	80.3	Confident	70.8	Confident	127 Å²	127	98.1 Å²	98.1	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-81.7	-19.2	178.7	-76.1	-177	174.5	-169.2	0	112.4	P196 L213 S817 E818 V819	P196-R821 WeakPolarHBondContact CB-O 3.46Å; P196-R821 WeakPolarHBondContact CG-O 3.27Å; L213-R821 PolarHBondContact O-NH2 3.27Å; S817-R821 WeakPolarHBondContact O-CG 3.39Å; S817-R821 PolarHBondContact O-N 3.48Å; E818-R821 PolarHBondContact O-N 3.02Å; V819-R821 PolarHBondContact O-N 2.92Å
822	A	77.8	Confident	70.8	Confident	80 Å²	80	95 Å²	95	66%	0.661	50%	0.503	S	S	*	.	H	α-helix	trans	-82.6	-21.4	177.7	0	0	0	0	0	113.4	E818 V819	E818-A822 PolarHBondContact O-N 3.1Å; V819-A822 PolarHBondContact O-N 3.41Å; V819-A822 VanDerWaalsContact O-N 3.09Å
823	Y	75.7	Confident	71.1	Confident	128 Å²	128	98.1 Å²	98.1	50%	0.502	51%	0.51	S	S	.	.			trans	-104	134.6	-175.3	-70.7	-76	0	0	0	113.2	V819	V819-Y823 HydrophobicContact CG1-CD2 4.07Å; V819-Y823 HydrophobicContact CG1-CE2 3.94Å; V819-Y823 WeakPolarHBondContact O-CD2 3.49Å; V819-Y823 PolarHBondContact O-N 3.31Å
824	D	82.4	Confident	70.9	Confident	42 Å²	42	94.9 Å²	94.9	23%	0.225	49%	0.486	C	S	.	.			trans	-122.4	99.4	168.3	-176.7	-6.3	0	0	0	108.2	T826 K827	D824-T826 PolarHBondContact O-N 3.47Å; D824-T826 WeakPolarHBondContact OD1-CB 3.39Å; D824-T826 PolarHBondContact OD1-N 3.03Å; D824-T826 VanDerWaalsContact OD1-N 3.14Å; D824-T826 PolarHBondContact OD1-OG1 3.21Å; D824-K827 HydrophobicContact CB-CD 4.35Å; D824-K827 VanDerWaalsContact OD2-CD 3.32Å; D824-K827 WeakPolarHBondContact OD2-CD 3.45Å; D824-K827 WeakPolarHBondContact OD2-CE 3.24Å; D824-K827 IonicContact OD2-NZ 3.71Å; D824-K827 PolarHBondContact OD2-NZ 3.2Å
825	T	80.1	Confident	70.5	Confident	45 Å²	45	95.9 Å²	95.9	28%	0.276	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.6	-176.1	70.1	0	0	0	0	113	V160 P161 R194 K827	V160-T825 HydrophobicContact CG1-CG2 3.63Å; P161-T825 HydrophobicContact CG-CG2 4.39Å; R194-T825 PolarHBondContact N-OG1 2.74Å; R194-T825 PolarHBondContact O-N 2.73Å; R194-T825 PolarHBondContact O-OG1 2.72Å; T825-K827 VanDerWaalsContact C-N 3.33Å
826	T	75.6	Confident	70.1	Confident	78 Å²	78	100.1 Å²	100.1	48%	0.479	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-18.4	174.8	70	0	0	0	0	112.1	T195 I200 D824	T195-T826 HydrophobicContact CG2-CG2 3.83Å; I200-T826 HydrophobicContact CD1-CG2 3.9Å; D824-T826 PolarHBondContact O-N 3.47Å; D824-T826 WeakPolarHBondContact OD1-CB 3.39Å; D824-T826 PolarHBondContact OD1-N 3.03Å; D824-T826 VanDerWaalsContact OD1-N 3.14Å; D824-T826 PolarHBondContact OD1-OG1 3.21Å
827	K	71.6	Confident	69.5	Low	150 Å²	150	105 Å²	105	65%	0.652	53%	0.53	S	S	*	.	S	Bend	trans	-88.7	122.1	175.2	-67.9	174.7	-178.1	151.9	0	109.6	D824 T825 R829	D824-K827 HydrophobicContact CB-CD 4.35Å; D824-K827 VanDerWaalsContact OD2-CD 3.32Å; D824-K827 WeakPolarHBondContact OD2-CD 3.45Å; D824-K827 WeakPolarHBondContact OD2-CE 3.24Å; D824-K827 IonicContact OD2-NZ 3.71Å; D824-K827 PolarHBondContact OD2-NZ 3.2Å; T825-K827 VanDerWaalsContact C-N 3.33Å; K827-R829 PolarHBondContact O-N 2.61Å
828	Q	57.6	Low	68.9	Low	192 Å²	192	110.4 Å²	110.4	90%	0.897	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-62	133.8	167.9	-76.6	-177	-19.8	0	0	108.8	S830	Q828-S830 PolarHBondContact O-N 2.84Å
829	R	51	Low	68	Low	213 Å²	213	110.8 Å²	110.8	80%	0.804	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-56.5	116.9	166.8	-88.2	-178.8	170.7	166.9	-2.3	107.2	K827 N831	K827-R829 PolarHBondContact O-N 2.61Å; R829-N831 PolarHBondContact O-N 2.67Å; R829-N831 VanDerWaalsContact O-N 3.13Å
830	S	38	Very low	67.1	Low	115 Å²	115	116.9 Å²	116.9	80%	0.804	59%	0.585	S	S	*	*			trans	-59.6	114.8	159.8	50.5	0	0	0	0	106.4	Q828	Q828-S830 PolarHBondContact O-N 2.84Å
831	N	37.1	Very low	66.1	Low	232 Å²	232	127.5 Å²	127.5	100%	1.241	64%	0.638	S	S	*	*			trans	-51.2	0	176.6	-80.4	-16.9	0	0	0	112.4	R829	R829-N831 PolarHBondContact O-N 2.67Å; R829-N831 VanDerWaalsContact O-N 3.13Å

Retrieved 831 of 831 residues in 1671.4 ms (Link to these results)

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