A0A096N4X9_PAPAN Loading...

Angiotensin-converting enzyme

AlphaFold DB , UniProt , Accession A0A096N4X9, Species PAPAN (Papio anubis, Olive baboon), Gene ACE2, Length 805 aa.

						>A0A096N4X9_PAPAN|A0A096N4X9|ACE2
MSGSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGEKWSAFLKEQSALAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPSNPQECLLLDPGLNEIMEKSLDYNERLWAWEGWRSEVGKQLRPLYEEYVVLKNEMARANHYKDYGDYWRGDYEVNGVDGYDYNRDQLIEDVERTFEEIKPLYEHLHAYVRAKLMNAYPSYISPTGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVNQAWNAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKVVCHPTAWDLGKGDFRIIMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLLNMLKLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRTYFLEIKHQTILFGEEDVRVADLKPRISFNFYVTAPKNVSDIIPRTEVEEAIRISRSRINDAFRLNDNSLEFLGIEPTLAPPYQSPVTTWLIVFGVVMGVIVAGIVVLIFTGIRDRKKKNQARSEENPYASIDISKGENNPGFQNTDDVQTSF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.3	Very low	48.7	Very low	245 Å²	245	119.3 Å²	119.3	100%	1.207	67%	0.669	S	S	*	*				0	101.8	0	-70.6	159.1	64.1	0	0	108.1
2	S	51	Low	48.5	Very low	108 Å²	108	117.3 Å²	117.3	76%	0.755	66%	0.661	S	S	*	*			trans	-156	-4.9	-179.1	51.5	0	0	0	0	115.6
3	G	46.8	Very low	48.1	Very low	54 Å²	54	113.1 Å²	113.1	56%	0.557	65%	0.65	S	S	*	*	S	Bend	trans	-82.9	-26.2	-175.6	0	0	0	0	0	115.9
4	S	53	Low	47.7	Very low	93 Å²	93	113 Å²	113	65%	0.65	65%	0.652	S	S	*	*	H	α-helix	trans	-79.3	-29.3	-166.9	-52	0	0	0	0	114.9	W6 L8	S4-W6 PolarHBondContact O-N 3.25Å; S4-L8 PolarHBondContact O-N 2.78Å
5	S	48.5	Very low	47.3	Very low	80 Å²	80	113.4 Å²	113.4	56%	0.559	66%	0.657	S	S	*	*	H	α-helix	trans	-71.1	-32.5	-173.8	-49.4	0	0	0	0	113.5	L9	S5-L9 PolarHBondContact O-N 3.01Å; S5-L9 VanDerWaalsContact O-N 3.15Å
6	W	48.3	Very low	47.1	Very low	208 Å²	208	111.6 Å²	111.6	79%	0.788	66%	0.66	S	S	*	*	H	α-helix	trans	-71.2	-36.9	179.2	-85.4	78.9	0	0	0	112.6	S4 L9 S10	S4-W6 PolarHBondContact O-N 3.25Å; W6-L9 PolarHBondContact O-N 2.82Å; W6-S10 PolarHBondContact O-N 3.37Å; W6-S10 PolarHBondContact O-OG 3.33Å
7	L	49.3	Very low	47.2	Very low	118 Å²	118	109.5 Å²	109.5	62%	0.618	66%	0.658	S	S	*	*	H	α-helix	trans	-68.1	-34.7	177.1	-89.4	159.3	0	0	0	112.9	S10 L11	L7-S10 WeakPolarHBondContact CA-OG 3.26Å; L7-S10 PolarHBondContact O-OG 3.12Å; L7-L11 PolarHBondContact O-N 2.64Å; L7-L11 VanDerWaalsContact O-N 3.08Å
8	L	49.8	Very low	47.6	Very low	118 Å²	118	113.6 Å²	113.6	62%	0.618	67%	0.669	S	S	*	*	H	α-helix	trans	-70.5	-41.2	173.5	-83.3	159.5	0	0	0	112	S4 S10 L11 V12	S4-L8 PolarHBondContact O-N 2.78Å; L8-S10 PolarHBondContact O-N 2.74Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 3.17Å; L8-V12 VanDerWaalsContact O-N 3.09Å
9	L	47.8	Very low	48.7	Very low	122 Å²	122	111.2 Å²	111.2	64%	0.639	66%	0.658	S	S	*	*	H	α-helix	trans	-63.9	-37.4	174.1	-85.4	159.9	0	0	0	112.6	S5 W6 A13	S5-L9 PolarHBondContact O-N 3.01Å; S5-L9 VanDerWaalsContact O-N 3.15Å; W6-L9 PolarHBondContact O-N 2.82Å; L9-A13 WeakPolarHBondContact O-CB 3.24Å; L9-A13 PolarHBondContact O-N 2.97Å; L9-A13 VanDerWaalsContact O-N 3.14Å
10	S	49	Very low	50.7	Low	54 Å²	54	110 Å²	110	38%	0.378	65%	0.652	S	S	.	*	H	α-helix	trans	-70.1	-36.3	174.5	58	0	0	0	0	113.3	W6 L7 L8 A13 V14	W6-S10 PolarHBondContact O-N 3.37Å; W6-S10 PolarHBondContact O-OG 3.33Å; L7-S10 WeakPolarHBondContact CA-OG 3.26Å; L7-S10 PolarHBondContact O-OG 3.12Å; L8-S10 PolarHBondContact O-N 2.74Å; S10-A13 PolarHBondContact O-N 3.21Å; S10-V14 WeakPolarHBondContact O-CG2 3.02Å; S10-V14 PolarHBondContact O-N 3.34Å; S10-V14 VanDerWaalsContact O-N 3.09Å
11	L	44.5	Very low	52.7	Low	112 Å²	112	107.5 Å²	107.5	59%	0.586	64%	0.635	S	S	*	*	H	α-helix	trans	-65.9	-44.6	176.5	-109.2	71.2	0	0	0	111.6	L7 L8 A13 V14 T15	L7-L11 PolarHBondContact O-N 2.64Å; L7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.16Å; L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.3Å; L11-V14 PolarHBondContact O-N 3.32Å; L11-T15 PolarHBondContact O-N 2.72Å; L11-T15 PolarHBondContact O-OG1 2.62Å
12	V	46	Very low	54.8	Low	96 Å²	96	97.5 Å²	97.5	58%	0.582	59%	0.586	S	S	*	*	H	α-helix	trans	-62.2	-39.1	177.6	173.3	0	0	0	0	111.3	L8 T15 A16	L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 3.17Å; L8-V12 VanDerWaalsContact O-N 3.09Å; V12-T15 WeakPolarHBondContact CA-OG1 3.42Å; V12-T15 PolarHBondContact O-N 2.82Å; V12-T15 PolarHBondContact O-OG1 3.37Å; V12-A16 WeakPolarHBondContact O-CB 3.27Å; V12-A16 PolarHBondContact O-N 2.76Å
13	A	42.5	Very low	56.9	Low	62 Å²	62	96.6 Å²	96.6	51%	0.512	57%	0.569	S	S	.	*	H	α-helix	trans	-65.2	-36	175.6	0	0	0	0	0	113.3	L9 S10 L11	L9-A13 WeakPolarHBondContact O-CB 3.24Å; L9-A13 PolarHBondContact O-N 2.97Å; L9-A13 VanDerWaalsContact O-N 3.14Å; S10-A13 PolarHBondContact O-N 3.21Å; L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.3Å
14	V	42.8	Very low	59.2	Low	112 Å²	112	98.3 Å²	98.3	68%	0.679	56%	0.563	S	S	*	*	H	α-helix	trans	-75.1	-35.7	177.9	171.6	0	0	0	0	111.9	S10 L11 A16	S10-V14 WeakPolarHBondContact O-CG2 3.02Å; S10-V14 PolarHBondContact O-N 3.34Å; S10-V14 VanDerWaalsContact O-N 3.09Å; L11-V14 PolarHBondContact O-N 3.32Å; V14-A16 PolarHBondContact O-N 2.68Å
15	T	42.2	Very low	61.3	Low	119 Å²	119	93.9 Å²	93.9	73%	0.73	53%	0.532	S	S	*	.	H	α-helix	trans	-71.8	-15.1	175	49	0	0	0	0	114.4	L11 V12	L11-T15 PolarHBondContact O-N 2.72Å; L11-T15 PolarHBondContact O-OG1 2.62Å; V12-T15 WeakPolarHBondContact CA-OG1 3.42Å; V12-T15 PolarHBondContact O-N 2.82Å; V12-T15 PolarHBondContact O-OG1 3.37Å
16	A	44.5	Very low	63.6	Low	85 Å²	85	92.6 Å²	92.6	70%	0.702	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	2.6	-178.5	0	0	0	0	0	114.2	V12 V14	V12-A16 WeakPolarHBondContact O-CB 3.27Å; V12-A16 PolarHBondContact O-N 2.76Å; V14-A16 PolarHBondContact O-N 2.68Å
17	A	48.9	Very low	65.9	Low	75 Å²	75	87 Å²	87	62%	0.62	51%	0.506	S	S	*	.	S	Bend	trans	-124.5	20.4	-160.7	0	0	0	0	0	115.8
18	Q	54.1	Low	68.2	Low	184 Å²	184	82.5 Å²	82.5	86%	0.86	48%	0.481	S	S	*	.			trans	-148.2	78.7	173.1	-112.7	161.5	1.9	0	0	111.9
19	S	68.9	Low	70.5	Confident	67 Å²	67	77 Å²	77	47%	0.469	45%	0.452	S	S	.	.			trans	-63.9	133.2	162	-176.5	0	0	0	0	109	Q24	S19-Q24 PolarHBondContact O-NE2 3.33Å
20	T	88.1	Confident	72.8	Confident	87 Å²	87	75.9 Å²	75.9	53%	0.534	45%	0.447	S	S	.	.			trans	-69.3	157.2	-177.3	62	0	0	0	0	111.3	E22 E23 Q24	T20-E22 PolarHBondContact O-N 2.7Å; T20-E23 PolarHBondContact O-N 2.89Å; T20-E23 WeakPolarHBondContact OG1-CB 3.24Å; T20-E23 PolarHBondContact OG1-N 3.46Å; T20-Q24 WeakPolarHBondContact O-CG 3.3Å; T20-Q24 PolarHBondContact O-N 3.03Å
21	I	91.9	Very high	75.1	Confident	58 Å²	58	78.7 Å²	78.7	30%	0.297	45%	0.452	S	S	.	.	H	α-helix	trans	-57.7	-36.4	177.4	-77.3	165.5	0	0	0	111.5	A25 Y83 E87 I88	I21-A25 VanDerWaalsContact O-CB 3.32Å; I21-A25 WeakPolarHBondContact O-CB 3.31Å; I21-A25 PolarHBondContact O-N 3.28Å; I21-Y83 HydrophobicContact CG2-CD1 4.27Å; I21-E87 WeakPolarHBondContact CD1-OE2 3.22Å; I21-I88 HydrophobicContact CG2-CD1 4.32Å
22	E	93.9	Very high	77.6	Confident	35 Å²	35	73.4 Å²	73.4	16%	0.164	42%	0.424	C	S	.	.	H	α-helix	trans	-66	-39.3	173.9	-168.6	-173.2	98.4	0	0	112.8	T20 A25 K26 I88 Q89 N90	T20-E22 PolarHBondContact O-N 2.7Å; E22-A25 WeakPolarHBondContact O-CB 3.29Å; E22-A25 PolarHBondContact O-N 3.2Å; E22-K26 WeakPolarHBondContact O-CG 3.19Å; E22-K26 PolarHBondContact O-N 3.42Å; E22-K26 WeakPolarHBondContact OE1-CE 3.23Å; E22-K26 IonicContact OE1-NZ 2.63Å; E22-K26 PolarHBondContact OE1-NZ 3.13Å; E22-I88 HydrophobicContact CB-CD1 4.13Å; E22-I88 HydrophobicContact CG-CD1 4.27Å; E22-I88 HydrophobicContact CG-CG2 4.3Å; E22-Q89 PolarHBondContact OE2-N 3.42Å; E22-N90 PolarHBondContact OE2-N 3.19Å
23	E	94.4	Very high	80	Confident	89 Å²	89	70 Å²	70	42%	0.416	40%	0.403	S	S	.	.	H	α-helix	trans	-73.8	-34.2	-179.5	-157.3	67	-169.9	0	0	112	T20 A25 K26 T27	T20-E23 PolarHBondContact O-N 2.89Å; T20-E23 WeakPolarHBondContact OG1-CB 3.24Å; T20-E23 PolarHBondContact OG1-N 3.46Å; E23-A25 VanDerWaalsContact C-N 3.35Å; E23-K26 PolarHBondContact O-N 3.45Å; E23-K26 WeakPolarHBondContact OE2-CD 3.39Å; E23-K26 IonicContact OE2-NZ 3.58Å; E23-K26 PolarHBondContact OE2-NZ 2.89Å; E23-T27 PolarHBondContact O-N 3.3Å; E23-T27 PolarHBondContact O-OG1 3.16Å
24	Q	95.5	Very high	82.5	Confident	90 Å²	90	74 Å²	74	42%	0.421	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-40.3	167.8	-64.6	178.6	28.6	0	0	111.4	S19 T20 T27 F28 Y83	S19-Q24 PolarHBondContact O-NE2 3.33Å; T20-Q24 WeakPolarHBondContact O-CG 3.3Å; T20-Q24 PolarHBondContact O-N 3.03Å; Q24-T27 PolarHBondContact O-N 2.88Å; Q24-F28 WeakPolarHBondContact O-CB 3.06Å; Q24-F28 PolarHBondContact O-N 3.2Å; Q24-Y83 HydrophobicContact CB-CE1 3.91Å
25	A	96.4	Very high	85	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-66.2	-39.6	176.5	0	0	0	0	0	112.9	I21 E22 E23 F28 L29 Y83 I88 V93 L97	I21-A25 VanDerWaalsContact O-CB 3.32Å; I21-A25 WeakPolarHBondContact O-CB 3.31Å; I21-A25 PolarHBondContact O-N 3.28Å; E22-A25 WeakPolarHBondContact O-CB 3.29Å; E22-A25 PolarHBondContact O-N 3.2Å; E23-A25 VanDerWaalsContact C-N 3.35Å; A25-F28 WeakPolarHBondContact O-CB 3.49Å; A25-F28 PolarHBondContact O-N 3.22Å; A25-L29 WeakPolarHBondContact O-CG 3.23Å; A25-L29 PolarHBondContact O-N 2.99Å; A25-Y83 HydrophobicContact CB-CD1 3.73Å; A25-Y83 HydrophobicContact CB-CD2 4.46Å; A25-Y83 HydrophobicContact CB-CE1 4.16Å; A25-Y83 HydrophobicContact CB-CG 3.91Å; A25-I88 HydrophobicContact CB-CD1 4.07Å; A25-V93 HydrophobicContact CB-CG1 4.29Å; A25-L97 HydrophobicContact CB-CD1 3.96Å; A25-L97 HydrophobicContact CB-CD2 4.41Å
26	K	96.5	Very high	87.5	Confident	54 Å²	54	66.5 Å²	66.5	24%	0.235	36%	0.36	C	S	.	.	H	α-helix	trans	-59	-49.9	170.7	-70.3	167.5	-161.7	149.3	0	111.1	E22 E23 F28 L29 D30 V93	E22-K26 WeakPolarHBondContact O-CG 3.19Å; E22-K26 PolarHBondContact O-N 3.42Å; E22-K26 WeakPolarHBondContact OE1-CE 3.23Å; E22-K26 IonicContact OE1-NZ 2.63Å; E22-K26 PolarHBondContact OE1-NZ 3.13Å; E23-K26 PolarHBondContact O-N 3.45Å; E23-K26 WeakPolarHBondContact OE2-CD 3.39Å; E23-K26 IonicContact OE2-NZ 3.58Å; E23-K26 PolarHBondContact OE2-NZ 2.89Å; K26-F28 PolarHBondContact O-N 2.97Å; K26-L29 PolarHBondContact O-N 2.69Å; K26-L29 VanDerWaalsContact O-N 3.1Å; K26-D30 PolarHBondContact O-N 3.4Å; K26-V93 HydrophobicContact CG-CG2 3.78Å
27	T	96.8	Very high	90	Very high	91 Å²	91	64.9 Å²	64.9	56%	0.558	34%	0.338	S	S	*	.	H	α-helix	trans	-57.7	-37.7	178	-51.4	0	0	0	0	112.1	E23 Q24 K31	E23-T27 PolarHBondContact O-N 3.3Å; E23-T27 PolarHBondContact O-OG1 3.16Å; Q24-T27 PolarHBondContact O-N 2.88Å; T27-K31 PolarHBondContact O-N 3.46Å
28	F	97.7	Very high	92.2	Very high	22 Å²	22	65.4 Å²	65.4	10%	0.096	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-48.9	173.4	164.5	-101	0	0	0	112.3	Q24 A25 K26 D30 K31 F32 Q76 L79 A80 Y83 L97 L100	Q24-F28 WeakPolarHBondContact O-CB 3.06Å; Q24-F28 PolarHBondContact O-N 3.2Å; A25-F28 WeakPolarHBondContact O-CB 3.49Å; A25-F28 PolarHBondContact O-N 3.22Å; K26-F28 PolarHBondContact O-N 2.97Å; F28-D30 PolarHBondContact O-N 2.97Å; F28-K31 PolarHBondContact O-N 2.56Å; F28-F32 WeakPolarHBondContact O-CB 3.32Å; F28-F32 PolarHBondContact O-N 2.66Å; F28-Q76 WeakPolarHBondContact CZ-O 3.28Å; F28-L79 HydrophobicContact CE2-CB 3.82Å; F28-L79 HydrophobicContact CE2-CD1 4.48Å; F28-L79 HydrophobicContact CZ-CB 4.3Å; F28-A80 HydrophobicContact CE1-CB 3.85Å; F28-A80 HydrophobicContact CZ-CB 3.94Å; F28-Y83 HydrophobicContact CB-CE2 3.9Å; F28-Y83 WeakPolarHBondContact CB-OH 3.45Å; F28-Y83 HydrophobicContact CD1-CD2 4.21Å; F28-Y83 AromaticContact CD1-CE2 3.69Å; F28-Y83 HydrophobicContact CD1-CE2 3.69Å; F28-Y83 HydrophobicContact CD2-CE2 4.23Å; F28-Y83 HydrophobicContact CE1-CE2 4.29Å; F28-Y83 AromaticContact CG-CE2 3.66Å; F28-Y83 HydrophobicContact CG-CE2 3.66Å; F28-L97 HydrophobicContact CD1-CD2 4.29Å; F28-L97 HydrophobicContact CE1-CD2 4.33Å; F28-L100 HydrophobicContact CE1-CD1 3.78Å; F28-L100 HydrophobicContact CZ-CD1 4.14Å
29	L	97.7	Very high	94.2	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-38.1	178.2	-72	176.2	0	0	0	112.5	A25 K26 K31 F32 N33 V93 Q96 L97 L100 L391	A25-L29 WeakPolarHBondContact O-CG 3.23Å; A25-L29 PolarHBondContact O-N 2.99Å; K26-L29 PolarHBondContact O-N 2.69Å; K26-L29 VanDerWaalsContact O-N 3.1Å; L29-K31 PolarHBondContact O-N 2.93Å; L29-F32 WeakPolarHBondContact O-CB 3.23Å; L29-F32 PolarHBondContact O-N 3.1Å; L29-N33 WeakPolarHBondContact O-CB 3.18Å; L29-N33 VanDerWaalsContact O-CG 3.29Å; L29-N33 PolarHBondContact O-N 3.14Å; L29-N33 PolarHBondContact O-ND2 2.94Å; L29-V93 HydrophobicContact CD1-CB 4.44Å; L29-V93 HydrophobicContact CD1-CG1 3.92Å; L29-Q96 HydrophobicContact CD1-CB 3.69Å; L29-Q96 HydrophobicContact CD1-CG 4.46Å; L29-Q96 HydrophobicContact CD2-CB 3.84Å; L29-Q96 HydrophobicContact CG-CB 4.43Å; L29-L97 HydrophobicContact CD1-CG 4.4Å; L29-L97 HydrophobicContact CD2-CD2 4.42Å; L29-L97 HydrophobicContact CG-CD2 4.5Å; L29-L100 HydrophobicContact CD2-CD1 3.81Å; L29-L391 HydrophobicContact CD2-CD1 4.25Å
30	D	97.3	Very high	95.5	Very high	99 Å²	99	58.2 Å²	58.2	53%	0.529	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-44.2	175.7	-72.6	-23.5	0	0	0	111	K26 F28 H34	K26-D30 PolarHBondContact O-N 3.4Å; F28-D30 PolarHBondContact O-N 2.97Å; D30-H34 PolarHBondContact O-N 2.75Å; D30-H34 PolarHBondContact O-ND1 3Å
31	K	96.9	Very high	96	Very high	113 Å²	113	57 Å²	57	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-43.5	174.5	-173.7	178.6	-178.7	-69.4	0	111.8	T27 F28 L29 H34 E35	T27-K31 PolarHBondContact O-N 3.46Å; F28-K31 PolarHBondContact O-N 2.56Å; L29-K31 PolarHBondContact O-N 2.93Å; K31-H34 PolarHBondContact O-N 3Å; K31-E35 VanDerWaalsContact CE-OE1 3.29Å; K31-E35 WeakPolarHBondContact CE-OE1 3.4Å; K31-E35 IonicContact NZ-OE1 3.77Å; K31-E35 PolarHBondContact NZ-OE1 2.87Å; K31-E35 IonicContact NZ-OE2 3Å; K31-E35 PolarHBondContact NZ-OE2 3.28Å; K31-E35 PolarHBondContact O-N 2.91Å
32	F	97.1	Very high	96.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.6	-51.8	175.5	172.8	-89.7	0	0	0	111.1	F28 L29 H34 E35 A36 F72 L73 Q76 L100 F390 L391	F28-F32 WeakPolarHBondContact O-CB 3.32Å; F28-F32 PolarHBondContact O-N 2.66Å; L29-F32 WeakPolarHBondContact O-CB 3.23Å; L29-F32 PolarHBondContact O-N 3.1Å; F32-H34 VanDerWaalsContact C-N 3.3Å; F32-H34 PolarHBondContact O-N 3.37Å; F32-E35 PolarHBondContact O-N 3.02Å; F32-A36 HydrophobicContact CD1-CB 4.11Å; F32-A36 HydrophobicContact CE1-CB 3.6Å; F32-A36 HydrophobicContact CE2-CB 4.16Å; F32-A36 HydrophobicContact CZ-CB 3.62Å; F32-A36 WeakPolarHBondContact O-CB 3.27Å; F32-A36 PolarHBondContact O-N 3.33Å; F32-F72 HydrophobicContact CD2-CE1 4.06Å; F32-F72 AromaticContact CD2-CZ 3.92Å; F32-F72 HydrophobicContact CD2-CZ 3.92Å; F32-F72 HydrophobicContact CE2-CD1 4.5Å; F32-F72 AromaticContact CE2-CE1 3.54Å; F32-F72 HydrophobicContact CE2-CE1 3.54Å; F32-F72 AromaticContact CE2-CZ 3.89Å; F32-F72 HydrophobicContact CE2-CZ 3.89Å; F32-F72 HydrophobicContact CZ-CE1 4.17Å; F32-L73 HydrophobicContact CE2-CD2 4.09Å; F32-L73 HydrophobicContact CZ-CD2 3.97Å; F32-Q76 HydrophobicContact CD2-CB 3.69Å; F32-Q76 HydrophobicContact CD2-CG 3.69Å; F32-Q76 HydrophobicContact CE2-CB 3.81Å; F32-Q76 HydrophobicContact CE2-CG 3.96Å; F32-L100 HydrophobicContact CD1-CD1 4.38Å; F32-L100 HydrophobicContact CD2-CD1 4.16Å; F32-L100 HydrophobicContact CD2-CD2 4.23Å; F32-L100 HydrophobicContact CE1-CD2 4.29Å; F32-L100 HydrophobicContact CE2-CD1 4.37Å; F32-L100 HydrophobicContact CE2-CD2 3.63Å; F32-L100 HydrophobicContact CG-CD1 4.18Å; F32-L100 HydrophobicContact CZ-CD2 3.68Å; F32-F390 HydrophobicContact CE1-CD1 4.16Å; F32-L391 HydrophobicContact CD1-CD1 4Å; F32-L391 HydrophobicContact CD1-CG 4.41Å; F32-L391 HydrophobicContact CE1-CD1 3.72Å; F32-L391 HydrophobicContact CE1-CD2 3.88Å; F32-L391 HydrophobicContact CE1-CG 3.72Å; F32-L391 HydrophobicContact CZ-CD1 4.47Å; F32-L391 HydrophobicContact CZ-CD2 4.11Å; F32-L391 HydrophobicContact CZ-CG 4.44Å
33	N	95.4	Very high	96.2	Very high	26 Å²	26	58.3 Å²	58.3	14%	0.139	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-41.1	-175.3	-79.9	-51.7	0	0	0	112.1	L29 E37 F390	L29-N33 WeakPolarHBondContact O-CB 3.18Å; L29-N33 VanDerWaalsContact O-CG 3.29Å; L29-N33 PolarHBondContact O-N 3.14Å; L29-N33 PolarHBondContact O-ND2 2.94Å; N33-E37 WeakPolarHBondContact O-CB 3.24Å; N33-E37 PolarHBondContact O-N 3.4Å; N33-E37 VanDerWaalsContact O-N 3.15Å; N33-F390 WeakPolarHBondContact OD1-CB 3.48Å; N33-F390 PolarHBondContact OD1-N 2.9Å
34	H	94.8	Very high	96.3	Very high	144 Å²	144	54.7 Å²	54.7	67%	0.667	27%	0.267	S	S	*	.	H	α-helix	trans	-67.1	-47	177.2	-72.6	83.5	0	0	0	112.8	D30 K31 F32	D30-H34 PolarHBondContact O-N 2.75Å; D30-H34 PolarHBondContact O-ND1 3Å; K31-H34 PolarHBondContact O-N 3Å; F32-H34 VanDerWaalsContact C-N 3.3Å; F32-H34 PolarHBondContact O-N 3.37Å
35	E	96.1	Very high	96.4	Very high	75 Å²	75	52.8 Å²	52.8	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-72.5	-31.7	-179.2	-69.9	174.4	176.5	0	0	111.9	K31 F32 L39 F72	K31-E35 VanDerWaalsContact CE-OE1 3.29Å; K31-E35 WeakPolarHBondContact CE-OE1 3.4Å; K31-E35 IonicContact NZ-OE1 3.77Å; K31-E35 PolarHBondContact NZ-OE1 2.87Å; K31-E35 IonicContact NZ-OE2 3Å; K31-E35 PolarHBondContact NZ-OE2 3.28Å; K31-E35 PolarHBondContact O-N 2.91Å; F32-E35 PolarHBondContact O-N 3.02Å; E35-L39 WeakPolarHBondContact O-CG 3.36Å; E35-L39 PolarHBondContact O-N 3.17Å; E35-F72 HydrophobicContact CB-CE2 3.75Å; E35-F72 HydrophobicContact CB-CZ 3.81Å
36	A	95.3	Very high	96.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-45.5	178.5	0	0	0	0	0	112.5	F32 D38 L39 F40 W69 F72 F390	F32-A36 HydrophobicContact CD1-CB 4.11Å; F32-A36 HydrophobicContact CE1-CB 3.6Å; F32-A36 HydrophobicContact CE2-CB 4.16Å; F32-A36 HydrophobicContact CZ-CB 3.62Å; F32-A36 WeakPolarHBondContact O-CB 3.27Å; F32-A36 PolarHBondContact O-N 3.33Å; A36-D38 VanDerWaalsContact C-N 3.27Å; A36-D38 PolarHBondContact O-N 2.92Å; A36-L39 PolarHBondContact O-N 3.14Å; A36-F40 WeakPolarHBondContact O-CB 3.19Å; A36-F40 PolarHBondContact O-N 3.46Å; A36-W69 HydrophobicContact CB-CH2 4.12Å; A36-W69 HydrophobicContact CB-CZ3 4.07Å; A36-F72 HydrophobicContact CB-CE1 3.79Å; A36-F72 HydrophobicContact CB-CZ 4.15Å; A36-F390 HydrophobicContact CB-CD1 4.23Å; A36-F390 HydrophobicContact CB-CE1 4.42Å; A36-F390 HydrophobicContact CB-CG 4.34Å
37	E	95.6	Very high	96	Very high	50 Å²	50	52.2 Å²	52.2	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-31.3	-179.4	-173.8	167.7	-117.6	0	0	112.3	N33 Y41 K353 F390 R393	N33-E37 WeakPolarHBondContact O-CB 3.24Å; N33-E37 PolarHBondContact O-N 3.4Å; N33-E37 VanDerWaalsContact O-N 3.15Å; E37-Y41 VanDerWaalsContact O-CB 3.26Å; E37-Y41 WeakPolarHBondContact O-CB 3.31Å; E37-Y41 PolarHBondContact O-N 3.48Å; E37-K353 HydrophobicContact CG-CD 4.49Å; E37-K353 HydrophobicContact CG-CG 3.65Å; E37-K353 WeakPolarHBondContact O-CE 3.34Å; E37-F390 HydrophobicContact CB-CD2 4.43Å; E37-R393 IonicContact OE1-CZ 3.3Å; E37-R393 VanDerWaalsContact OE1-CZ 3.26Å; E37-R393 IonicContact OE1-NH1 3.62Å; E37-R393 PolarHBondContact OE1-NH1 3.01Å; E37-R393 IonicContact OE1-NH2 3.19Å; E37-R393 PolarHBondContact OE1-NH2 3.46Å
38	D	96.5	Very high	95.9	Very high	86 Å²	86	48.5 Å²	48.5	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-70.1	-42.5	173.1	-99.4	19.4	0	0	0	113.5	A36 Q42 K353	A36-D38 VanDerWaalsContact C-N 3.27Å; A36-D38 PolarHBondContact O-N 2.92Å; D38-Q42 WeakPolarHBondContact O-CG 3.25Å; D38-Q42 PolarHBondContact O-NE2 3.33Å; D38-K353 WeakPolarHBondContact OD1-CE 3.48Å; D38-K353 IonicContact OD1-NZ 2.86Å; D38-K353 PolarHBondContact OD1-NZ 2.82Å
39	L	95.9	Very high	95.8	Very high	47 Å²	47	50.9 Å²	50.9	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-80.5	-39.1	-177.1	-70.5	171.9	0	0	0	112.6	E35 A36 Q42 S43 W69 F72	E35-L39 WeakPolarHBondContact O-CG 3.36Å; E35-L39 PolarHBondContact O-N 3.17Å; A36-L39 PolarHBondContact O-N 3.14Å; L39-Q42 PolarHBondContact O-N 3.01Å; L39-S43 PolarHBondContact O-N 3.49Å; L39-S43 VanDerWaalsContact O-N 3.1Å; L39-W69 HydrophobicContact CB-CE3 3.92Å; L39-W69 HydrophobicContact CB-CZ3 4.3Å; L39-F72 HydrophobicContact CD1-CB 3.76Å; L39-F72 HydrophobicContact CD1-CD1 3.91Å; L39-F72 HydrophobicContact CD1-CD2 3.53Å; L39-F72 HydrophobicContact CD1-CE1 4.37Å; L39-F72 HydrophobicContact CD1-CE2 4.03Å; L39-F72 HydrophobicContact CD1-CG 3.45Å; L39-F72 VanDerWaalsContact CD1-CG 3.45Å; L39-F72 HydrophobicContact CD1-CZ 4.42Å
40	F	96	Very high	95.3	Very high	53 Å²	53	53.4 Å²	53.4	23%	0.232	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-48.5	174.5	179.8	-102.4	0	0	0	110.9	A36 Q42 S43 S44 W69 F390	A36-F40 WeakPolarHBondContact O-CB 3.19Å; A36-F40 PolarHBondContact O-N 3.46Å; F40-Q42 VanDerWaalsContact C-N 3.26Å; F40-Q42 PolarHBondContact O-N 2.97Å; F40-S43 CarbonylContact O-C 3.59Å; F40-S43 WeakPolarHBondContact O-CA 3.43Å; F40-S43 WeakPolarHBondContact O-CB 3.36Å; F40-S43 PolarHBondContact O-N 3.3Å; F40-S44 VanDerWaalsContact CE1-OG 3.31Å; F40-S44 WeakPolarHBondContact CE1-OG 3.29Å; F40-S44 VanDerWaalsContact CZ-OG 3.23Å; F40-S44 WeakPolarHBondContact CZ-OG 3.36Å; F40-S44 WeakPolarHBondContact O-CB 3.48Å; F40-S44 PolarHBondContact O-N 3.04Å; F40-S44 PolarHBondContact O-OG 2.98Å; F40-W69 HydrophobicContact CB-CE3 4.36Å; F40-W69 HydrophobicContact CB-CH2 4Å; F40-W69 HydrophobicContact CB-CZ2 4.27Å; F40-W69 HydrophobicContact CB-CZ3 4.05Å; F40-W69 AromaticContact CD2-CE2 3.99Å; F40-W69 HydrophobicContact CD2-CH2 4.44Å; F40-W69 AromaticContact CD2-CZ2 3.88Å; F40-W69 HydrophobicContact CD2-CZ2 3.88Å; F40-F390 HydrophobicContact CB-CE2 3.68Å; F40-F390 HydrophobicContact CB-CZ 3.65Å; F40-F390 AromaticContact CD1-CE2 3.82Å; F40-F390 HydrophobicContact CD1-CE2 3.82Å; F40-F390 HydrophobicContact CD1-CZ 4.07Å; F40-F390 HydrophobicContact CD2-CE2 4.42Å; F40-F390 AromaticContact CD2-CZ 3.86Å; F40-F390 HydrophobicContact CD2-CZ 3.86Å; F40-F390 AromaticContact CG-CE2 3.72Å; F40-F390 HydrophobicContact CG-CE2 3.72Å; F40-F390 AromaticContact CG-CZ 3.58Å; F40-F390 HydrophobicContact CG-CZ 3.58Å
41	Y	97.7	Very high	94.7	Very high	61 Å²	61	50 Å²	50	24%	0.239	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-38.3	178.7	-179.9	-94.1	0	0	0	112.7	E37 L45 L351 K353 D355	E37-Y41 VanDerWaalsContact O-CB 3.26Å; E37-Y41 WeakPolarHBondContact O-CB 3.31Å; E37-Y41 PolarHBondContact O-N 3.48Å; Y41-L45 HydrophobicContact CE1-CD2 4.16Å; Y41-L45 WeakPolarHBondContact O-CB 3.48Å; Y41-L45 PolarHBondContact O-N 3.15Å; Y41-L351 WeakPolarHBondContact CA-O 3.24Å; Y41-L351 HydrophobicContact CD2-CB 4.15Å; Y41-L351 WeakPolarHBondContact CD2-O 3.46Å; Y41-L351 HydrophobicContact CE2-CB 4.27Å; Y41-K353 HydrophobicContact CD1-CD 4.45Å; Y41-K353 HydrophobicContact CD2-CB 4.42Å; Y41-K353 HydrophobicContact CD2-CD 4.19Å; Y41-K353 HydrophobicContact CD2-CG 4.38Å; Y41-K353 HydrophobicContact CG-CD 4.05Å; Y41-D355 HydrophobicContact CE2-CB 3.94Å
42	Q	97.3	Very high	94.3	Very high	104 Å²	104	45.3 Å²	45.3	49%	0.486	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-40.7	173.5	-72.4	171.9	61	0	0	112.7	D38 L39 F40 A46	D38-Q42 WeakPolarHBondContact O-CG 3.25Å; D38-Q42 PolarHBondContact O-NE2 3.33Å; L39-Q42 PolarHBondContact O-N 3.01Å; F40-Q42 VanDerWaalsContact C-N 3.26Å; F40-Q42 PolarHBondContact O-N 2.97Å; Q42-A46 WeakPolarHBondContact O-CB 3.14Å; Q42-A46 PolarHBondContact O-N 2.99Å; Q42-A46 VanDerWaalsContact O-N 3.08Å
43	S	93.9	Very high	94	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-46.3	176.8	-169.5	0	0	0	0	111.9	L39 F40 A46 S47	L39-S43 PolarHBondContact O-N 3.49Å; L39-S43 VanDerWaalsContact O-N 3.1Å; F40-S43 CarbonylContact O-C 3.59Å; F40-S43 WeakPolarHBondContact O-CA 3.43Å; F40-S43 WeakPolarHBondContact O-CB 3.36Å; F40-S43 PolarHBondContact O-N 3.3Å; S43-A46 PolarHBondContact O-N 2.92Å; S43-S47 WeakPolarHBondContact O-CB 3.43Å; S43-S47 PolarHBondContact O-N 3.11Å
44	S	95	Very high	93.3	Very high	13 Å²	13	49.7 Å²	49.7	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-39.9	179.5	-61.3	0	0	0	0	111.9	F40 S47 W48	F40-S44 VanDerWaalsContact CE1-OG 3.31Å; F40-S44 WeakPolarHBondContact CE1-OG 3.29Å; F40-S44 VanDerWaalsContact CZ-OG 3.23Å; F40-S44 WeakPolarHBondContact CZ-OG 3.36Å; F40-S44 WeakPolarHBondContact O-CB 3.48Å; F40-S44 PolarHBondContact O-N 3.04Å; F40-S44 PolarHBondContact O-OG 2.98Å; S44-S47 PolarHBondContact O-N 3.26Å; S44-W48 WeakPolarHBondContact O-CB 3.39Å; S44-W48 PolarHBondContact O-N 2.98Å
45	L	97.6	Very high	92.8	Very high	49 Å²	49	45.2 Å²	45.2	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-35.7	174.7	-173.1	62.9	0	0	0	112.8	Y41 W48 N49 L351	Y41-L45 HydrophobicContact CE1-CD2 4.16Å; Y41-L45 WeakPolarHBondContact O-CB 3.48Å; Y41-L45 PolarHBondContact O-N 3.15Å; L45-W48 PolarHBondContact O-N 3.21Å; L45-N49 PolarHBondContact O-N 3.28Å; L45-N49 PolarHBondContact O-ND2 3.43Å; L45-L351 HydrophobicContact CB-CD2 4.26Å; L45-L351 HydrophobicContact CD1-CD2 4.04Å
46	A	94.4	Very high	92.2	Very high	16 Å²	16	50.2 Å²	50.2	13%	0.132	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-39.7	173.3	0	0	0	0	0	111.9	Q42 S43 N49 Y50 A65	Q42-A46 WeakPolarHBondContact O-CB 3.14Å; Q42-A46 PolarHBondContact O-N 2.99Å; Q42-A46 VanDerWaalsContact O-N 3.08Å; S43-A46 PolarHBondContact O-N 2.92Å; A46-N49 PolarHBondContact O-N 3.22Å; A46-Y50 PolarHBondContact O-N 3.39Å; A46-A65 HydrophobicContact CB-CB 3.83Å
47	S	90.8	Very high	92	Very high	27 Å²	27	57 Å²	57	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-42	173.2	-173.4	0	0	0	0	112.2	S43 S44 N49 Y50 N51 W349	S43-S47 WeakPolarHBondContact O-CB 3.43Å; S43-S47 PolarHBondContact O-N 3.11Å; S44-S47 PolarHBondContact O-N 3.26Å; S47-N49 PolarHBondContact O-N 3.24Å; S47-Y50 PolarHBondContact O-N 2.97Å; S47-N51 PolarHBondContact O-N 3.01Å; S47-N51 PolarHBondContact O-ND2 2.92Å; S47-N51 PolarHBondContact OG-ND2 3Å; S47-W349 WeakPolarHBondContact OG-CH2 3.44Å
48	W	95.4	Very high	91.6	Very high	12 Å²	12	55.7 Å²	55.7	5%	0.045	28%	0.281	C	S	.	.	H	α-helix	trans	-56.1	-48.7	173.1	176.9	-83.5	0	0	0	111.6	S44 L45 Y50 N51 T52 N330 M332 W349 L351 R357 I359	S44-W48 WeakPolarHBondContact O-CB 3.39Å; S44-W48 PolarHBondContact O-N 2.98Å; L45-W48 PolarHBondContact O-N 3.21Å; W48-Y50 VanDerWaalsContact C-N 3.26Å; W48-Y50 PolarHBondContact O-N 2.83Å; W48-N51 PolarHBondContact O-N 3.31Å; W48-T52 HydrophobicContact CD2-CG2 4.19Å; W48-T52 HydrophobicContact CH2-CG2 4.47Å; W48-T52 HydrophobicContact CZ2-CG2 3.76Å; W48-T52 WeakPolarHBondContact O-CB 3.43Å; W48-T52 PolarHBondContact O-N 3.32Å; W48-T52 PolarHBondContact O-OG1 2.98Å; W48-N330 WeakPolarHBondContact CZ2-O 3.45Å; W48-M332 HydrophobicContact CZ2-CB 4.43Å; W48-W349 HydrophobicContact CE3-CB 4.38Å; W48-W349 AromaticContact CE3-CD2 3.99Å; W48-W349 HydrophobicContact CE3-CD2 3.99Å; W48-W349 HydrophobicContact CE3-CE3 4.35Å; W48-W349 AromaticContact CE3-CG 3.99Å; W48-W349 HydrophobicContact CE3-CG 3.99Å; W48-W349 HydrophobicContact CZ3-CB 4.25Å; W48-W349 AromaticContact CZ3-CD1 3.88Å; W48-W349 HydrophobicContact CZ3-CD2 4.34Å; W48-W349 AromaticContact CZ3-CG 3.92Å; W48-W349 HydrophobicContact CZ3-CG 3.92Å; W48-L351 HydrophobicContact CB-CD2 4.26Å; W48-L351 HydrophobicContact CE3-CD1 4.35Å; W48-R357 VanDerWaalsContact CD1-NH1 3.28Å; W48-R357 HydrophobicContact CE3-CB 4.16Å; W48-R357 HydrophobicContact CH2-CB 3.42Å; W48-R357 VanDerWaalsContact CH2-CB 3.42Å; W48-R357 HydrophobicContact CH2-CG 4.2Å; W48-R357 HydrophobicContact CZ2-CB 4.28Å; W48-R357 HydrophobicContact CZ3-CB 3.34Å; W48-R357 HydrophobicContact CZ3-CG 4.17Å; W48-R357 VanDerWaalsContact NE1-NH1 3.13Å; W48-I359 HydrophobicContact CD2-CD1 4.43Å; W48-I359 HydrophobicContact CE3-CD1 3.92Å; W48-I359 HydrophobicContact CE3-CG1 3.98Å; W48-I359 HydrophobicContact CH2-CD1 4.17Å; W48-I359 HydrophobicContact CH2-CG1 3.4Å; W48-I359 HydrophobicContact CZ2-CG1 4.14Å; W48-I359 HydrophobicContact CZ3-CD1 3.78Å; W48-I359 HydrophobicContact CZ3-CG1 3.31Å
49	N	94.8	Very high	90.9	Very high	72 Å²	72	53.9 Å²	53.9	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-31.3	179.1	-68.5	-18.2	0	0	0	112.9	L45 A46 S47 N53 N58	L45-N49 PolarHBondContact O-N 3.28Å; L45-N49 PolarHBondContact O-ND2 3.43Å; A46-N49 PolarHBondContact O-N 3.22Å; S47-N49 PolarHBondContact O-N 3.24Å; N49-N53 WeakPolarHBondContact O-CB 3.48Å; N49-N53 PolarHBondContact O-N 3.19Å; N49-N53 VanDerWaalsContact O-N 3.11Å; N49-N58 PolarHBondContact O-ND2 3.23Å; N49-N58 VanDerWaalsContact O-ND2 3.15Å
50	Y	86.9	Confident	90.4	Very high	56 Å²	56	56.4 Å²	56.4	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-72.2	-50.8	171.8	168.6	-103.4	0	0	0	112.5	A46 S47 W48 T52 N53 I54 N58 V59 M62	A46-Y50 PolarHBondContact O-N 3.39Å; S47-Y50 PolarHBondContact O-N 2.97Å; W48-Y50 VanDerWaalsContact C-N 3.26Å; W48-Y50 PolarHBondContact O-N 2.83Å; Y50-T52 VanDerWaalsContact C-N 3.28Å; Y50-T52 PolarHBondContact O-N 3.23Å; Y50-N53 CarbonylContact O-C 3.55Å; Y50-N53 PolarHBondContact O-N 2.83Å; Y50-N53 VanDerWaalsContact O-N 3.09Å; Y50-I54 HydrophobicContact CE2-CB 4.3Å; Y50-I54 HydrophobicContact CE2-CG1 4.23Å; Y50-I54 HydrophobicContact CE2-CG2 3.87Å; Y50-I54 WeakPolarHBondContact O-CG1 3.25Å; Y50-I54 PolarHBondContact O-N 3.13Å; Y50-N58 HydrophobicContact CD2-CB 4.35Å; Y50-V59 HydrophobicContact CD2-CG2 3.63Å; Y50-V59 HydrophobicContact CE2-CG2 3.28Å; Y50-M62 HydrophobicContact CD1-CE 3.88Å; Y50-M62 HydrophobicContact CD1-SD 3.66Å; Y50-M62 HydrophobicContact CE1-CE 4.25Å; Y50-M62 HydrophobicContact CE1-SD 4.5Å; Y50-M62 HydrophobicContact CG-CE 4.15Å; Y50-M62 HydrophobicContact CG-SD 3.97Å
51	N	84.3	Confident	90.1	Very high	29 Å²	29	57.3 Å²	57.3	16%	0.155	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-31.8	-176.5	-74.4	-84	0	0	0	112.3	S47 W48 V342 V343 W349 I359	S47-N51 PolarHBondContact O-N 3.01Å; S47-N51 PolarHBondContact O-ND2 2.92Å; S47-N51 PolarHBondContact OG-ND2 3Å; W48-N51 PolarHBondContact O-N 3.31Å; N51-V342 WeakPolarHBondContact O-CA 3.29Å; N51-V343 HydrophobicContact CB-CB 4.42Å; N51-V343 HydrophobicContact CB-CG2 4.4Å; N51-V343 PolarHBondContact O-N 3.38Å; N51-V343 WeakPolarHBondContact OD1-CG2 3.31Å; N51-W349 HydrophobicContact CB-CZ2 4.29Å; N51-I359 HydrophobicContact CB-CD1 3.89Å
52	T	89.8	Confident	89.6	Confident	14 Å²	14	56.4 Å²	56.4	9%	0.086	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.2	173.5	59	0	0	0	0	114.4	W48 Y50 M332 Q340 V342 I359	W48-T52 HydrophobicContact CD2-CG2 4.19Å; W48-T52 HydrophobicContact CH2-CG2 4.47Å; W48-T52 HydrophobicContact CZ2-CG2 3.76Å; W48-T52 WeakPolarHBondContact O-CB 3.43Å; W48-T52 PolarHBondContact O-N 3.32Å; W48-T52 PolarHBondContact O-OG1 2.98Å; Y50-T52 VanDerWaalsContact C-N 3.28Å; Y50-T52 PolarHBondContact O-N 3.23Å; T52-M332 HydrophobicContact CG2-CB 4.12Å; T52-M332 HydrophobicContact CG2-SD 3.85Å; T52-Q340 PolarHBondContact O-NE2 3.49Å; T52-V342 VanDerWaalsContact O-CG1 3.3Å; T52-V342 WeakPolarHBondContact O-CG1 3.41Å; T52-I359 HydrophobicContact CG2-CD1 3.79Å; T52-I359 HydrophobicContact CG2-CG1 4.12Å
53	N	89.6	Confident	88.7	Confident	60 Å²	60	54 Å²	54	32%	0.321	28%	0.28	S	S	.	.	S	Bend	trans	-159.5	90.7	175.4	-174.4	12.1	0	0	0	111.2	N49 Y50 T55 N58 Q340 K341	N49-N53 WeakPolarHBondContact O-CB 3.48Å; N49-N53 PolarHBondContact O-N 3.19Å; N49-N53 VanDerWaalsContact O-N 3.11Å; Y50-N53 CarbonylContact O-C 3.55Å; Y50-N53 PolarHBondContact O-N 2.83Å; Y50-N53 VanDerWaalsContact O-N 3.09Å; N53-T55 PolarHBondContact O-N 3.12Å; N53-N58 PolarHBondContact O-ND2 3.12Å; N53-Q340 HydrophobicContact CB-CG 4.36Å; N53-K341 WeakPolarHBondContact CA-O 3.47Å
54	I	81.8	Confident	88.4	Confident	58 Å²	58	56.1 Å²	56.1	30%	0.297	29%	0.29	S	S	.	.			trans	-74	98.9	-174.3	-60.6	172.4	0	0	0	110.1	Y50 K341 V343	Y50-I54 HydrophobicContact CE2-CB 4.3Å; Y50-I54 HydrophobicContact CE2-CG1 4.23Å; Y50-I54 HydrophobicContact CE2-CG2 3.87Å; Y50-I54 WeakPolarHBondContact O-CG1 3.25Å; Y50-I54 PolarHBondContact O-N 3.13Å; I54-K341 HydrophobicContact CB-CB 3.94Å; I54-K341 HydrophobicContact CD1-CB 4.38Å; I54-K341 WeakPolarHBondContact CG1-O 3.46Å; I54-K341 PolarHBondContact N-O 3.1Å; I54-V343 HydrophobicContact CD1-CG2 4Å
55	T	85.1	Confident	88.2	Confident	50 Å²	50	56.3 Å²	56.3	31%	0.307	29%	0.292	S	S	.	.			trans	-132.5	155.6	173.7	71.9	0	0	0	0	110.9	N53 E57 N58 V59	N53-T55 PolarHBondContact O-N 3.12Å; T55-E57 VanDerWaalsContact C-N 3.25Å; T55-E57 PolarHBondContact O-N 3.38Å; T55-N58 PolarHBondContact O-N 3.12Å; T55-N58 VanDerWaalsContact O-N 3.15Å; T55-N58 WeakPolarHBondContact OG1-CB 3.05Å; T55-N58 PolarHBondContact OG1-N 3.34Å; T55-N58 PolarHBondContact OG1-ND2 3.35Å; T55-V59 WeakPolarHBondContact O-CG2 3.45Å; T55-V59 PolarHBondContact O-N 3.06Å
56	E	82.5	Confident	87.4	Confident	179 Å²	179	55 Å²	55	84%	0.836	29%	0.29	S	S	*	.	H	α-helix	trans	-61.6	-34.6	176.3	-172.5	172.2	-162.6	0	0	112.1	V59 Q60	E56-V59 PolarHBondContact O-N 2.63Å; E56-Q60 PolarHBondContact O-N 3.41Å; E56-Q60 VanDerWaalsContact O-N 3.07Å
57	E	92	Very high	86.9	Confident	142 Å²	142	60.7 Å²	60.7	66%	0.664	31%	0.314	S	S	*	.	H	α-helix	trans	-62.9	-45.6	172.1	-174.4	-178.9	169.8	0	0	111.7	T55 Q60 N61	T55-E57 VanDerWaalsContact C-N 3.25Å; T55-E57 PolarHBondContact O-N 3.38Å; E57-Q60 PolarHBondContact O-N 3.33Å; E57-N61 WeakPolarHBondContact O-CB 3.41Å; E57-N61 VanDerWaalsContact O-CG 3.31Å; E57-N61 PolarHBondContact O-N 2.91Å; E57-N61 PolarHBondContact O-ND2 3.33Å
58	N	87.3	Confident	86.9	Confident	24 Å²	24	65.5 Å²	65.5	13%	0.128	33%	0.331	C	S	.	.	H	α-helix	trans	-69.2	-33.6	178.8	-74.2	-19.7	0	0	0	112.5	N49 Y50 N53 T55 N61 M62	N49-N58 PolarHBondContact O-ND2 3.23Å; N49-N58 VanDerWaalsContact O-ND2 3.15Å; Y50-N58 HydrophobicContact CD2-CB 4.35Å; N53-N58 PolarHBondContact O-ND2 3.12Å; T55-N58 PolarHBondContact O-N 3.12Å; T55-N58 VanDerWaalsContact O-N 3.15Å; T55-N58 WeakPolarHBondContact OG1-CB 3.05Å; T55-N58 PolarHBondContact OG1-N 3.34Å; T55-N58 PolarHBondContact OG1-ND2 3.35Å; N58-N61 PolarHBondContact O-N 2.85Å; N58-M62 VanDerWaalsContact O-CB 3.23Å; N58-M62 WeakPolarHBondContact O-CB 3.41Å; N58-M62 PolarHBondContact O-N 2.99Å
59	V	81.5	Confident	86.6	Confident	48 Å²	48	66.6 Å²	66.6	29%	0.291	34%	0.335	S	S	.	.	H	α-helix	trans	-57.5	-50.6	168.7	171.9	0	0	0	0	110.3	Y50 T55 E56 N61 M62 N63	Y50-V59 HydrophobicContact CD2-CG2 3.63Å; Y50-V59 HydrophobicContact CE2-CG2 3.28Å; T55-V59 WeakPolarHBondContact O-CG2 3.45Å; T55-V59 PolarHBondContact O-N 3.06Å; E56-V59 PolarHBondContact O-N 2.63Å; V59-N61 PolarHBondContact O-N 2.94Å; V59-M62 PolarHBondContact O-N 3.04Å; V59-N63 WeakPolarHBondContact O-CB 3.43Å; V59-N63 PolarHBondContact O-N 2.69Å; V59-N63 PolarHBondContact O-ND2 2.7Å
60	Q	85.1	Confident	86	Confident	100 Å²	100	66.7 Å²	66.7	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-38.7	-178.8	-168.2	61	52.6	0	0	112.2	E56 E57 N63 N64	E56-Q60 PolarHBondContact O-N 3.41Å; E56-Q60 VanDerWaalsContact O-N 3.07Å; E57-Q60 PolarHBondContact O-N 3.33Å; Q60-N63 PolarHBondContact O-N 3.36Å; Q60-N64 PolarHBondContact NE2-OD1 3.24Å; Q60-N64 VanDerWaalsContact O-CB 3.28Å; Q60-N64 WeakPolarHBondContact O-CB 3.49Å; Q60-N64 PolarHBondContact O-N 3.37Å; Q60-N64 PolarHBondContact O-ND2 3.1Å; Q60-N64 PolarHBondContact O-OD1 3.27Å
61	N	90.4	Very high	86	Confident	71 Å²	71	66.9 Å²	66.9	38%	0.38	36%	0.355	S	S	.	.	H	α-helix	trans	-64.8	-43.1	176.3	-74.5	-27.6	0	0	0	112.3	E57 N58 V59 A65	E57-N61 WeakPolarHBondContact O-CB 3.41Å; E57-N61 VanDerWaalsContact O-CG 3.31Å; E57-N61 PolarHBondContact O-N 2.91Å; E57-N61 PolarHBondContact O-ND2 3.33Å; N58-N61 PolarHBondContact O-N 2.85Å; V59-N61 PolarHBondContact O-N 2.94Å; N61-A65 PolarHBondContact O-N 2.85Å; N61-A65 VanDerWaalsContact O-N 3.13Å
62	M	86.1	Confident	86.4	Confident	42 Å²	42	66.4 Å²	66.4	21%	0.207	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-49.4	173.1	179.7	-176.3	68.9	0	0	111.3	Y50 N58 V59 N64 A65 G66	Y50-M62 HydrophobicContact CD1-CE 3.88Å; Y50-M62 HydrophobicContact CD1-SD 3.66Å; Y50-M62 HydrophobicContact CE1-CE 4.25Å; Y50-M62 HydrophobicContact CE1-SD 4.5Å; Y50-M62 HydrophobicContact CG-CE 4.15Å; Y50-M62 HydrophobicContact CG-SD 3.97Å; N58-M62 VanDerWaalsContact O-CB 3.23Å; N58-M62 WeakPolarHBondContact O-CB 3.41Å; N58-M62 PolarHBondContact O-N 2.99Å; V59-M62 PolarHBondContact O-N 3.04Å; M62-N64 PolarHBondContact O-N 2.82Å; M62-A65 PolarHBondContact O-N 3.32Å; M62-G66 PolarHBondContact O-N 3.07Å
63	N	79.4	Confident	86.3	Confident	54 Å²	54	68.2 Å²	68.2	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-59.6	-48	178.4	-68.4	-17.9	0	0	0	111.4	V59 Q60 A65 G66 E67	V59-N63 WeakPolarHBondContact O-CB 3.43Å; V59-N63 PolarHBondContact O-N 2.69Å; V59-N63 PolarHBondContact O-ND2 2.7Å; Q60-N63 PolarHBondContact O-N 3.36Å; N63-A65 PolarHBondContact O-N 3.38Å; N63-G66 PolarHBondContact O-N 3.4Å; N63-E67 WeakPolarHBondContact O-CB 3.43Å; N63-E67 WeakPolarHBondContact O-CG 3.46Å; N63-E67 PolarHBondContact O-N 3.45Å
64	N	87.1	Confident	86.1	Confident	63 Å²	63	70.8 Å²	70.8	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-29.5	177.7	-70.8	-16.7	0	0	0	113.2	Q60 M62 K68	Q60-N64 PolarHBondContact NE2-OD1 3.24Å; Q60-N64 VanDerWaalsContact O-CB 3.28Å; Q60-N64 WeakPolarHBondContact O-CB 3.49Å; Q60-N64 PolarHBondContact O-N 3.37Å; Q60-N64 PolarHBondContact O-ND2 3.1Å; Q60-N64 PolarHBondContact O-OD1 3.27Å; M62-N64 PolarHBondContact O-N 2.82Å; N64-K68 WeakPolarHBondContact O-CD 3.49Å; N64-K68 WeakPolarHBondContact O-CG 3.45Å
65	A	90.1	Very high	86.6	Confident	17 Å²	17	73.8 Å²	73.8	14%	0.14	38%	0.381	C	S	.	.	H	α-helix	trans	-83.1	-44.1	176.9	0	0	0	0	0	111.7	A46 N61 M62 N63 E67 K68 W69	A46-A65 HydrophobicContact CB-CB 3.83Å; N61-A65 PolarHBondContact O-N 2.85Å; N61-A65 VanDerWaalsContact O-N 3.13Å; M62-A65 PolarHBondContact O-N 3.32Å; N63-A65 PolarHBondContact O-N 3.38Å; A65-E67 VanDerWaalsContact C-N 3.33Å; A65-E67 PolarHBondContact O-N 3.01Å; A65-K68 WeakPolarHBondContact O-CB 3.19Å; A65-K68 PolarHBondContact O-N 3.34Å; A65-W69 PolarHBondContact O-N 2.91Å
66	G	82.1	Confident	86.9	Confident	20 Å²	20	71.9 Å²	71.9	21%	0.206	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-34.8	176.1	0	0	0	0	0	113.5	M62 N63 W69 S70	M62-G66 PolarHBondContact O-N 3.07Å; N63-G66 PolarHBondContact O-N 3.4Å; G66-W69 PolarHBondContact O-N 3.25Å; G66-S70 VanDerWaalsContact O-CB 3.3Å; G66-S70 WeakPolarHBondContact O-CB 3.33Å; G66-S70 PolarHBondContact O-N 3.48Å; G66-S70 PolarHBondContact O-OG 3.38Å
67	E	83.2	Confident	87.3	Confident	136 Å²	136	63.6 Å²	63.6	64%	0.636	33%	0.331	S	S	*	.	H	α-helix	trans	-64.7	-43.1	172.7	-77.1	-176.8	175.5	0	0	111.9	N63 A65 S70 A71	N63-E67 WeakPolarHBondContact O-CB 3.43Å; N63-E67 WeakPolarHBondContact O-CG 3.46Å; N63-E67 PolarHBondContact O-N 3.45Å; A65-E67 VanDerWaalsContact C-N 3.33Å; A65-E67 PolarHBondContact O-N 3.01Å; E67-S70 PolarHBondContact O-N 3.08Å; E67-A71 WeakPolarHBondContact O-CB 3.48Å; E67-A71 PolarHBondContact O-N 3.41Å
68	K	89.8	Confident	87.2	Confident	129 Å²	129	59.6 Å²	59.6	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-62.7	-45.4	175.1	-70.1	169.2	-174.7	174.8	0	111.7	N64 A65 A71 F72	N64-K68 WeakPolarHBondContact O-CD 3.49Å; N64-K68 WeakPolarHBondContact O-CG 3.45Å; A65-K68 WeakPolarHBondContact O-CB 3.19Å; A65-K68 PolarHBondContact O-N 3.34Å; K68-A71 PolarHBondContact O-N 3.38Å; K68-F72 WeakPolarHBondContact O-CB 3.44Å; K68-F72 PolarHBondContact O-N 2.85Å
69	W	89.4	Confident	87.6	Confident	35 Å²	35	61.4 Å²	61.4	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-46.7	176	174.3	-121.9	0	0	0	111.6	A36 L39 F40 A65 G66 A71 F72 L73 F390	A36-W69 HydrophobicContact CB-CH2 4.12Å; A36-W69 HydrophobicContact CB-CZ3 4.07Å; L39-W69 HydrophobicContact CB-CE3 3.92Å; L39-W69 HydrophobicContact CB-CZ3 4.3Å; F40-W69 HydrophobicContact CB-CE3 4.36Å; F40-W69 HydrophobicContact CB-CH2 4Å; F40-W69 HydrophobicContact CB-CZ2 4.27Å; F40-W69 HydrophobicContact CB-CZ3 4.05Å; F40-W69 AromaticContact CD2-CE2 3.99Å; F40-W69 HydrophobicContact CD2-CH2 4.44Å; F40-W69 AromaticContact CD2-CZ2 3.88Å; F40-W69 HydrophobicContact CD2-CZ2 3.88Å; A65-W69 PolarHBondContact O-N 2.91Å; G66-W69 PolarHBondContact O-N 3.25Å; W69-A71 PolarHBondContact O-N 3.32Å; W69-F72 AromaticContact CE3-CD1 3.97Å; W69-F72 HydrophobicContact CE3-CD1 3.97Å; W69-F72 AromaticContact CZ3-CD1 3.74Å; W69-F72 HydrophobicContact CZ3-CD1 3.74Å; W69-F72 AromaticContact CZ3-CE1 3.88Å; W69-F72 HydrophobicContact CZ3-CE1 3.88Å; W69-F72 PolarHBondContact O-N 2.9Å; W69-L73 HydrophobicContact CD2-CD1 4.23Å; W69-L73 HydrophobicContact CD2-CG 4.18Å; W69-L73 HydrophobicContact CE3-CG 4.41Å; W69-L73 HydrophobicContact CH2-CD1 4.41Å; W69-L73 HydrophobicContact CH2-CD2 3.79Å; W69-L73 HydrophobicContact CH2-CG 4.13Å; W69-L73 HydrophobicContact CZ2-CD1 3.67Å; W69-L73 HydrophobicContact CZ2-CD2 3.85Å; W69-L73 HydrophobicContact CZ2-CG 3.88Å; W69-L73 HydrophobicContact CZ3-CD2 4.27Å; W69-L73 HydrophobicContact CZ3-CG 4.38Å; W69-L73 PolarHBondContact O-N 2.82Å; W69-F390 AromaticContact CH2-CE1 3.61Å; W69-F390 HydrophobicContact CH2-CE1 3.61Å; W69-F390 AromaticContact CH2-CZ 3.6Å; W69-F390 HydrophobicContact CH2-CZ 3.6Å; W69-F390 AromaticContact CZ2-CE1 3.95Å; W69-F390 HydrophobicContact CZ2-CE1 3.95Å; W69-F390 AromaticContact CZ2-CZ 3.89Å; W69-F390 HydrophobicContact CZ2-CZ 3.89Å
70	S	83.6	Confident	88.2	Confident	73 Å²	73	59.1 Å²	59.1	51%	0.51	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-38	177.9	-57.5	0	0	0	0	112.7	G66 E67 K74	G66-S70 VanDerWaalsContact O-CB 3.3Å; G66-S70 WeakPolarHBondContact O-CB 3.33Å; G66-S70 PolarHBondContact O-N 3.48Å; G66-S70 PolarHBondContact O-OG 3.38Å; E67-S70 PolarHBondContact O-N 3.08Å; S70-K74 WeakPolarHBondContact O-CB 3.45Å; S70-K74 PolarHBondContact O-N 3.2Å
71	A	86.9	Confident	88.5	Confident	60 Å²	60	58.5 Å²	58.5	50%	0.496	32%	0.315	S	S	.	.	H	α-helix	trans	-67.4	-44.1	176.2	0	0	0	0	0	111.9	E67 K68 W69 K74 E75	E67-A71 WeakPolarHBondContact O-CB 3.48Å; E67-A71 PolarHBondContact O-N 3.41Å; K68-A71 PolarHBondContact O-N 3.38Å; W69-A71 PolarHBondContact O-N 3.32Å; A71-K74 PolarHBondContact O-N 3.48Å; A71-E75 PolarHBondContact O-N 3.46Å
72	F	91.7	Very high	88.6	Confident	19 Å²	19	61.3 Å²	61.3	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-59.9	-51	173.5	168.9	-99	0	0	0	111.4	F32 E35 A36 L39 K68 W69 K74 E75 Q76	F32-F72 HydrophobicContact CD2-CE1 4.06Å; F32-F72 AromaticContact CD2-CZ 3.92Å; F32-F72 HydrophobicContact CD2-CZ 3.92Å; F32-F72 HydrophobicContact CE2-CD1 4.5Å; F32-F72 AromaticContact CE2-CE1 3.54Å; F32-F72 HydrophobicContact CE2-CE1 3.54Å; F32-F72 AromaticContact CE2-CZ 3.89Å; F32-F72 HydrophobicContact CE2-CZ 3.89Å; F32-F72 HydrophobicContact CZ-CE1 4.17Å; E35-F72 HydrophobicContact CB-CE2 3.75Å; E35-F72 HydrophobicContact CB-CZ 3.81Å; A36-F72 HydrophobicContact CB-CE1 3.79Å; A36-F72 HydrophobicContact CB-CZ 4.15Å; L39-F72 HydrophobicContact CD1-CB 3.76Å; L39-F72 HydrophobicContact CD1-CD1 3.91Å; L39-F72 HydrophobicContact CD1-CD2 3.53Å; L39-F72 HydrophobicContact CD1-CE1 4.37Å; L39-F72 HydrophobicContact CD1-CE2 4.03Å; L39-F72 HydrophobicContact CD1-CG 3.45Å; L39-F72 VanDerWaalsContact CD1-CG 3.45Å; L39-F72 HydrophobicContact CD1-CZ 4.42Å; K68-F72 WeakPolarHBondContact O-CB 3.44Å; K68-F72 PolarHBondContact O-N 2.85Å; W69-F72 AromaticContact CE3-CD1 3.97Å; W69-F72 HydrophobicContact CE3-CD1 3.97Å; W69-F72 AromaticContact CZ3-CD1 3.74Å; W69-F72 HydrophobicContact CZ3-CD1 3.74Å; W69-F72 AromaticContact CZ3-CE1 3.88Å; W69-F72 HydrophobicContact CZ3-CE1 3.88Å; W69-F72 PolarHBondContact O-N 2.9Å; F72-K74 VanDerWaalsContact C-N 3.26Å; F72-K74 PolarHBondContact O-N 3.06Å; F72-E75 PolarHBondContact O-N 2.97Å; F72-E75 VanDerWaalsContact O-N 3.12Å; F72-Q76 HydrophobicContact CD1-CG 4.31Å; F72-Q76 HydrophobicContact CD2-CG 3.89Å; F72-Q76 HydrophobicContact CE1-CG 4.01Å; F72-Q76 HydrophobicContact CE2-CG 3.57Å; F72-Q76 HydrophobicContact CG-CG 4.27Å; F72-Q76 HydrophobicContact CZ-CG 3.64Å; F72-Q76 VanDerWaalsContact O-CG 3.31Å; F72-Q76 WeakPolarHBondContact O-CG 3.48Å; F72-Q76 PolarHBondContact O-N 3.34Å
73	L	87.8	Confident	89.1	Confident	52 Å²	52	60.9 Å²	60.9	27%	0.272	32%	0.324	S	S	.	.	H	α-helix	trans	-57.7	-38.8	176.8	-75.4	-176.6	0	0	0	112.2	F32 W69 S77	F32-L73 HydrophobicContact CE2-CD2 4.09Å; F32-L73 HydrophobicContact CZ-CD2 3.97Å; W69-L73 HydrophobicContact CD2-CD1 4.23Å; W69-L73 HydrophobicContact CD2-CG 4.18Å; W69-L73 HydrophobicContact CE3-CG 4.41Å; W69-L73 HydrophobicContact CH2-CD1 4.41Å; W69-L73 HydrophobicContact CH2-CD2 3.79Å; W69-L73 HydrophobicContact CH2-CG 4.13Å; W69-L73 HydrophobicContact CZ2-CD1 3.67Å; W69-L73 HydrophobicContact CZ2-CD2 3.85Å; W69-L73 HydrophobicContact CZ2-CG 3.88Å; W69-L73 HydrophobicContact CZ3-CD2 4.27Å; W69-L73 HydrophobicContact CZ3-CG 4.38Å; W69-L73 PolarHBondContact O-N 2.82Å; L73-S77 WeakPolarHBondContact O-CB 3.35Å; L73-S77 PolarHBondContact O-N 2.92Å
74	K	85.6	Confident	89.8	Confident	114 Å²	114	60.6 Å²	60.6	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-43	175.6	-177.9	174.9	-173.4	169.5	0	112.7	S70 A71 F72 A78	S70-K74 WeakPolarHBondContact O-CB 3.45Å; S70-K74 PolarHBondContact O-N 3.2Å; A71-K74 PolarHBondContact O-N 3.48Å; F72-K74 VanDerWaalsContact C-N 3.26Å; F72-K74 PolarHBondContact O-N 3.06Å; K74-A78 WeakPolarHBondContact O-CB 3.42Å; K74-A78 PolarHBondContact O-N 3.42Å; K74-A78 VanDerWaalsContact O-N 3.12Å
75	E	91.3	Very high	90	Very high	121 Å²	121	59.1 Å²	59.1	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-64.5	-49.4	176.3	-175.4	178.4	172.8	0	0	111.1	A71 F72 S77 A78 L79	A71-E75 PolarHBondContact O-N 3.46Å; F72-E75 PolarHBondContact O-N 2.97Å; F72-E75 VanDerWaalsContact O-N 3.12Å; E75-S77 VanDerWaalsContact C-N 3.35Å; E75-S77 PolarHBondContact O-N 3.09Å; E75-A78 PolarHBondContact O-N 3.44Å; E75-L79 HydrophobicContact CG-CD1 4.37Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 3.32Å
76	Q	93.3	Very high	90.1	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-35.6	-179.6	-60.1	-58.1	-41.5	0	0	112.2	F28 F32 F72 L79 A80	F28-Q76 WeakPolarHBondContact CZ-O 3.28Å; F32-Q76 HydrophobicContact CD2-CB 3.69Å; F32-Q76 HydrophobicContact CD2-CG 3.69Å; F32-Q76 HydrophobicContact CE2-CB 3.81Å; F32-Q76 HydrophobicContact CE2-CG 3.96Å; F72-Q76 HydrophobicContact CD1-CG 4.31Å; F72-Q76 HydrophobicContact CD2-CG 3.89Å; F72-Q76 HydrophobicContact CE1-CG 4.01Å; F72-Q76 HydrophobicContact CE2-CG 3.57Å; F72-Q76 HydrophobicContact CG-CG 4.27Å; F72-Q76 HydrophobicContact CZ-CG 3.64Å; F72-Q76 VanDerWaalsContact O-CG 3.31Å; F72-Q76 WeakPolarHBondContact O-CG 3.48Å; F72-Q76 PolarHBondContact O-N 3.34Å; Q76-L79 PolarHBondContact O-N 3.03Å; Q76-A80 VanDerWaalsContact O-CB 3.32Å; Q76-A80 WeakPolarHBondContact O-CB 3.34Å; Q76-A80 PolarHBondContact O-N 2.83Å
77	S	90.7	Very high	90.6	Very high	6 Å²	6	70.1 Å²	70.1	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-47.7	171.6	-177.8	0	0	0	0	111.5	L73 E75 L79 A80 Q81 L100	L73-S77 WeakPolarHBondContact O-CB 3.35Å; L73-S77 PolarHBondContact O-N 2.92Å; E75-S77 VanDerWaalsContact C-N 3.35Å; E75-S77 PolarHBondContact O-N 3.09Å; S77-L79 VanDerWaalsContact C-N 3.33Å; S77-L79 PolarHBondContact O-N 3.1Å; S77-A80 WeakPolarHBondContact O-CB 3.4Å; S77-A80 PolarHBondContact O-N 3.09Å; S77-A80 VanDerWaalsContact O-N 3.14Å; S77-Q81 WeakPolarHBondContact O-CG 3.5Å; S77-Q81 PolarHBondContact O-N 3.29Å; S77-L100 WeakPolarHBondContact CA-O 3.47Å; S77-L100 WeakPolarHBondContact CB-O 3.29Å; S77-L100 PolarHBondContact OG-O 3.13Å
78	A	89.9	Confident	91.1	Very high	58 Å²	58	63.8 Å²	63.8	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-34.6	177.8	0	0	0	0	0	113.1	K74 E75	K74-A78 WeakPolarHBondContact O-CB 3.42Å; K74-A78 PolarHBondContact O-N 3.42Å; K74-A78 VanDerWaalsContact O-N 3.12Å; E75-A78 PolarHBondContact O-N 3.44Å
79	L	93.9	Very high	91.2	Very high	62 Å²	62	64.6 Å²	64.6	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-70.2	-39.1	171.4	-66.5	173.3	0	0	0	111.9	F28 E75 Q76 S77 Q81 M82	F28-L79 HydrophobicContact CE2-CB 3.82Å; F28-L79 HydrophobicContact CE2-CD1 4.48Å; F28-L79 HydrophobicContact CZ-CB 4.3Å; E75-L79 HydrophobicContact CG-CD1 4.37Å; E75-L79 WeakPolarHBondContact O-CG 3.39Å; E75-L79 PolarHBondContact O-N 3.32Å; Q76-L79 PolarHBondContact O-N 3.03Å; S77-L79 VanDerWaalsContact C-N 3.33Å; S77-L79 PolarHBondContact O-N 3.1Å; L79-Q81 PolarHBondContact O-N 3.28Å; L79-M82 HydrophobicContact CD2-CE 4Å; L79-M82 WeakPolarHBondContact O-CB 3.49Å; L79-M82 WeakPolarHBondContact O-CG 3.41Å; L79-M82 PolarHBondContact O-N 3.48Å; L79-M82 VanDerWaalsContact O-N 3.07Å
80	A	94.4	Very high	91.4	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.8	-27.5	179.3	0	0	0	0	0	112.8	F28 Q76 S77 M82 Y83 L100 Q101	F28-A80 HydrophobicContact CE1-CB 3.85Å; F28-A80 HydrophobicContact CZ-CB 3.94Å; Q76-A80 VanDerWaalsContact O-CB 3.32Å; Q76-A80 WeakPolarHBondContact O-CB 3.34Å; Q76-A80 PolarHBondContact O-N 2.83Å; S77-A80 WeakPolarHBondContact O-CB 3.4Å; S77-A80 PolarHBondContact O-N 3.09Å; S77-A80 VanDerWaalsContact O-N 3.14Å; A80-M82 PolarHBondContact O-N 3.28Å; A80-Y83 PolarHBondContact O-N 2.68Å; A80-L100 HydrophobicContact CB-CB 3.72Å; A80-L100 HydrophobicContact CB-CD1 4.37Å; A80-Q101 HydrophobicContact CB-CG 4.01Å; A80-Q101 PolarHBondContact O-NE2 2.99Å
81	Q	91.1	Very high	91.7	Very high	86 Å²	86	66.3 Å²	66.3	40%	0.402	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.9	174.2	-56.2	-59.4	-11.9	0	0	113.8	S77 L79 Y83 Q101 N103	S77-Q81 WeakPolarHBondContact O-CG 3.5Å; S77-Q81 PolarHBondContact O-N 3.29Å; L79-Q81 PolarHBondContact O-N 3.28Å; Q81-Y83 PolarHBondContact O-N 3.37Å; Q81-Q101 PolarHBondContact NE2-O 2.93Å; Q81-N103 PolarHBondContact NE2-ND2 2.74Å; Q81-N103 PolarHBondContact NE2-OD1 3.29Å
82	M	93.9	Very high	92	Very high	131 Å²	131	65.9 Å²	65.9	65%	0.645	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-6.7	175.9	-60.2	-172.9	-170.4	0	0	114.2	L79 A80 P84	L79-M82 HydrophobicContact CD2-CE 4Å; L79-M82 WeakPolarHBondContact O-CB 3.49Å; L79-M82 WeakPolarHBondContact O-CG 3.41Å; L79-M82 PolarHBondContact O-N 3.48Å; L79-M82 VanDerWaalsContact O-N 3.07Å; A80-M82 PolarHBondContact O-N 3.28Å; M82-P84 WeakPolarHBondContact O-CD 3.24Å
83	Y	95.4	Very high	92.1	Very high	33 Å²	33	65.6 Å²	65.6	13%	0.129	33%	0.332	C	S	.	.	S	Bend	trans	-115.8	98.1	-174.7	-54.5	-71.8	0	0	0	112	I21 Q24 A25 F28 A80 Q81 L85 L97 Q101	I21-Y83 HydrophobicContact CG2-CD1 4.27Å; Q24-Y83 HydrophobicContact CB-CE1 3.91Å; A25-Y83 HydrophobicContact CB-CD1 3.73Å; A25-Y83 HydrophobicContact CB-CD2 4.46Å; A25-Y83 HydrophobicContact CB-CE1 4.16Å; A25-Y83 HydrophobicContact CB-CG 3.91Å; F28-Y83 HydrophobicContact CB-CE2 3.9Å; F28-Y83 WeakPolarHBondContact CB-OH 3.45Å; F28-Y83 HydrophobicContact CD1-CD2 4.21Å; F28-Y83 AromaticContact CD1-CE2 3.69Å; F28-Y83 HydrophobicContact CD1-CE2 3.69Å; F28-Y83 HydrophobicContact CD2-CE2 4.23Å; F28-Y83 HydrophobicContact CE1-CE2 4.29Å; F28-Y83 AromaticContact CG-CE2 3.66Å; F28-Y83 HydrophobicContact CG-CE2 3.66Å; A80-Y83 PolarHBondContact O-N 2.68Å; Q81-Y83 PolarHBondContact O-N 3.37Å; Y83-L85 PolarHBondContact O-N 3.04Å; Y83-L97 HydrophobicContact CD2-CD2 3.95Å; Y83-L97 HydrophobicContact CG-CD2 4.31Å; Y83-Q101 PolarHBondContact O-NE2 2.99Å
84	P	94.1	Very high	92.4	Very high	48 Å²	48	66 Å²	66	31%	0.312	33%	0.332	S	S	.	.			trans	-64.1	120.2	-178	-23.7	35	0	0	0	113.2	M82 Q86 E87	M82-P84 WeakPolarHBondContact O-CD 3.24Å; P84-Q86 PolarHBondContact O-N 3.18Å; P84-E87 HydrophobicContact CB-CG 4.36Å; P84-E87 PolarHBondContact O-N 2.68Å
85	L	91.7	Very high	92.8	Very high	32 Å²	32	63.6 Å²	63.6	17%	0.168	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-14	-177.9	-59.3	179.5	0	0	0	114.4	Y83 K94 L97 Q98	Y83-L85 PolarHBondContact O-N 3.04Å; L85-K94 HydrophobicContact CD2-CG 4.28Å; L85-K94 WeakPolarHBondContact O-CE 3.34Å; L85-K94 PolarHBondContact O-NZ 2.97Å; L85-K94 VanDerWaalsContact O-NZ 3.11Å; L85-L97 HydrophobicContact CD2-CB 3.56Å; L85-L97 HydrophobicContact CD2-CD1 4.29Å; L85-Q98 HydrophobicContact CD1-CB 4.07Å; L85-Q98 HydrophobicContact CD1-CG 4.33Å
86	Q	91.5	Very high	93	Very high	157 Å²	157	58.3 Å²	58.3	73%	0.734	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-23.9	175.4	-59.4	78.5	8.8	0	0	112.5	P84	P84-Q86 PolarHBondContact O-N 3.18Å
87	E	93.3	Very high	93	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-22.5	-179.1	-63.7	-173.5	-127.6	0	0	112.3	I21 P84 Q89	I21-E87 WeakPolarHBondContact CD1-OE2 3.22Å; P84-E87 HydrophobicContact CB-CG 4.36Å; P84-E87 PolarHBondContact O-N 2.68Å; E87-Q89 PolarHBondContact O-N 2.99Å; E87-Q89 PolarHBondContact O-NE2 3.39Å; E87-Q89 VanDerWaalsContact O-NE2 3.08Å
88	I	94.1	Very high	93	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.015	31%	0.311	C	S	.	.			trans	-72.7	120.9	176.7	-50.9	-61.9	0	0	0	110.5	I21 E22 A25 N90 V93 K94 L97	I21-I88 HydrophobicContact CG2-CD1 4.32Å; E22-I88 HydrophobicContact CB-CD1 4.13Å; E22-I88 HydrophobicContact CG-CD1 4.27Å; E22-I88 HydrophobicContact CG-CG2 4.3Å; A25-I88 HydrophobicContact CB-CD1 4.07Å; I88-N90 WeakPolarHBondContact CG2-O 3.32Å; I88-V93 HydrophobicContact CG2-CB 4.12Å; I88-V93 HydrophobicContact CG2-CG1 3.86Å; I88-K94 HydrophobicContact CB-CB 4.37Å; I88-K94 HydrophobicContact CG2-CB 3.79Å; I88-K94 HydrophobicContact CG2-CG 4.47Å; I88-L97 HydrophobicContact CD1-CD1 3.81Å; I88-L97 HydrophobicContact CG1-CD1 3.68Å
89	Q	91.6	Very high	93	Very high	146 Å²	146	60.3 Å²	60.3	68%	0.682	31%	0.306	S	S	*	.			trans	-94.6	-35.9	179	-54.9	-55.7	-64.5	0	0	111.6	E22 E87 L91	E22-Q89 PolarHBondContact OE2-N 3.42Å; E87-Q89 PolarHBondContact O-N 2.99Å; E87-Q89 PolarHBondContact O-NE2 3.39Å; E87-Q89 VanDerWaalsContact O-NE2 3.08Å; Q89-L91 PolarHBondContact O-N 2.86Å
90	N	93.1	Very high	92.8	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.342	29%	0.292	S	S	.	.			trans	-71.1	112.6	177.9	-175.7	-66.1	0	0	0	111.4	E22 I88 T92 V93 K94	E22-N90 PolarHBondContact OE2-N 3.19Å; I88-N90 WeakPolarHBondContact CG2-O 3.32Å; N90-T92 PolarHBondContact O-N 2.98Å; N90-T92 WeakPolarHBondContact OD1-CB 3.3Å; N90-T92 PolarHBondContact OD1-N 3.06Å; N90-V93 HydrophobicContact CB-CB 4.12Å; N90-V93 HydrophobicContact CB-CG2 4.06Å; N90-V93 PolarHBondContact O-N 2.67Å; N90-V93 PolarHBondContact OD1-N 3.16Å; N90-K94 WeakPolarHBondContact O-CB 3.44Å; N90-K94 PolarHBondContact O-N 3Å
91	L	90	Very high	92.6	Very high	80 Å²	80	59.2 Å²	59.2	42%	0.419	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-39.9	-178.3	-65.9	177.4	0	0	0	113.1	Q89 V93 K94 L95 V212	Q89-L91 PolarHBondContact O-N 2.86Å; L91-V93 VanDerWaalsContact C-N 3.34Å; L91-V93 PolarHBondContact O-N 2.66Å; L91-K94 WeakPolarHBondContact O-CB 3.41Å; L91-K94 PolarHBondContact O-N 3.22Å; L91-K94 VanDerWaalsContact O-N 3.15Å; L91-L95 WeakPolarHBondContact O-CG 3.44Å; L91-L95 PolarHBondContact O-N 3.11Å; L91-V212 HydrophobicContact CD1-CG2 4.18Å
92	T	93.2	Very high	92.1	Very high	52 Å²	52	58.5 Å²	58.5	32%	0.319	30%	0.296	S	S	.	.	H	α-helix	trans	-66.3	-34.4	179.8	-41	0	0	0	0	112.4	N90 Q96 L392	N90-T92 PolarHBondContact O-N 2.98Å; N90-T92 WeakPolarHBondContact OD1-CB 3.3Å; N90-T92 PolarHBondContact OD1-N 3.06Å; T92-Q96 WeakPolarHBondContact O-CG 3.22Å; T92-Q96 PolarHBondContact O-NE2 3.06Å; T92-L392 HydrophobicContact CG2-CD1 3.51Å
93	V	95.4	Very high	91.1	Very high	12 Å²	12	54.7 Å²	54.7	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-70.7	-42.7	170.5	171.8	0	0	0	0	110.4	A25 K26 L29 I88 N90 L91 Q96 L97	A25-V93 HydrophobicContact CB-CG1 4.29Å; K26-V93 HydrophobicContact CG-CG2 3.78Å; L29-V93 HydrophobicContact CD1-CB 4.44Å; L29-V93 HydrophobicContact CD1-CG1 3.92Å; I88-V93 HydrophobicContact CG2-CB 4.12Å; I88-V93 HydrophobicContact CG2-CG1 3.86Å; N90-V93 HydrophobicContact CB-CB 4.12Å; N90-V93 HydrophobicContact CB-CG2 4.06Å; N90-V93 PolarHBondContact O-N 2.67Å; N90-V93 PolarHBondContact OD1-N 3.16Å; L91-V93 VanDerWaalsContact C-N 3.34Å; L91-V93 PolarHBondContact O-N 2.66Å; V93-Q96 PolarHBondContact O-N 3.18Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å; V93-L97 HydrophobicContact CG1-CG 4.49Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 3.13Å
94	K	93.9	Very high	90.2	Very high	62 Å²	62	53.7 Å²	53.7	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-42	-179.4	-169.9	172.6	176.9	163.5	0	112.9	L85 I88 N90 L91 L97 Q98	L85-K94 HydrophobicContact CD2-CG 4.28Å; L85-K94 WeakPolarHBondContact O-CE 3.34Å; L85-K94 PolarHBondContact O-NZ 2.97Å; L85-K94 VanDerWaalsContact O-NZ 3.11Å; I88-K94 HydrophobicContact CB-CB 4.37Å; I88-K94 HydrophobicContact CG2-CB 3.79Å; I88-K94 HydrophobicContact CG2-CG 4.47Å; N90-K94 WeakPolarHBondContact O-CB 3.44Å; N90-K94 PolarHBondContact O-N 3Å; L91-K94 WeakPolarHBondContact O-CB 3.41Å; L91-K94 PolarHBondContact O-N 3.22Å; L91-K94 VanDerWaalsContact O-N 3.15Å; K94-L97 PolarHBondContact O-N 2.96Å; K94-Q98 VanDerWaalsContact O-CB 3.25Å; K94-Q98 WeakPolarHBondContact O-CB 3.5Å; K94-Q98 PolarHBondContact O-N 3.27Å
95	L	92.8	Very high	89.2	Confident	62 Å²	62	54.1 Å²	54.1	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-44	175.7	-73.2	170.3	0	0	0	111.8	L91 Q98 A99 L392	L91-L95 WeakPolarHBondContact O-CG 3.44Å; L91-L95 PolarHBondContact O-N 3.11Å; L95-Q98 PolarHBondContact O-N 3.47Å; L95-A99 PolarHBondContact O-N 2.91Å; L95-L392 HydrophobicContact CB-CD2 4.04Å
96	Q	95.1	Very high	88.4	Confident	10 Å²	10	54 Å²	54	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-44.4	176.9	-69.6	175.8	82.4	0	0	112.1	L29 T92 V93 A99 L100 L391 L392	L29-Q96 HydrophobicContact CD1-CB 3.69Å; L29-Q96 HydrophobicContact CD1-CG 4.46Å; L29-Q96 HydrophobicContact CD2-CB 3.84Å; L29-Q96 HydrophobicContact CG-CB 4.43Å; T92-Q96 WeakPolarHBondContact O-CG 3.22Å; T92-Q96 PolarHBondContact O-NE2 3.06Å; V93-Q96 PolarHBondContact O-N 3.18Å; Q96-A99 PolarHBondContact O-N 3.06Å; Q96-L100 PolarHBondContact O-N 3.34Å; Q96-L100 VanDerWaalsContact O-N 3.1Å; Q96-L391 HydrophobicContact CB-CB 4.49Å; Q96-L391 HydrophobicContact CB-CD1 3.91Å; Q96-L391 HydrophobicContact CG-CB 4.15Å; Q96-L391 HydrophobicContact CG-CD1 4.31Å; Q96-L392 HydrophobicContact CG-CD1 3.94Å; Q96-L392 HydrophobicContact CG-CD2 4.04Å; Q96-L392 HydrophobicContact CG-CG 3.81Å
97	L	94.7	Very high	88	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-42.3	174.2	-71.1	171.1	0	0	0	112	A25 F28 L29 Y83 L85 I88 V93 K94 A99 L100 Q101	A25-L97 HydrophobicContact CB-CD1 3.96Å; A25-L97 HydrophobicContact CB-CD2 4.41Å; F28-L97 HydrophobicContact CD1-CD2 4.29Å; F28-L97 HydrophobicContact CE1-CD2 4.33Å; L29-L97 HydrophobicContact CD1-CG 4.4Å; L29-L97 HydrophobicContact CD2-CD2 4.42Å; L29-L97 HydrophobicContact CG-CD2 4.5Å; Y83-L97 HydrophobicContact CD2-CD2 3.95Å; Y83-L97 HydrophobicContact CG-CD2 4.31Å; L85-L97 HydrophobicContact CD2-CB 3.56Å; L85-L97 HydrophobicContact CD2-CD1 4.29Å; I88-L97 HydrophobicContact CD1-CD1 3.81Å; I88-L97 HydrophobicContact CG1-CD1 3.68Å; V93-L97 HydrophobicContact CG1-CD1 4.05Å; V93-L97 HydrophobicContact CG1-CG 4.49Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 3.13Å; K94-L97 PolarHBondContact O-N 2.96Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.07Å; L97-L100 PolarHBondContact O-N 3.03Å; L97-Q101 WeakPolarHBondContact O-CB 3.32Å; L97-Q101 VanDerWaalsContact O-CG 3.25Å; L97-Q101 WeakPolarHBondContact O-CG 3.17Å; L97-Q101 PolarHBondContact O-N 3.04Å
98	Q	90.7	Very high	87.5	Confident	71 Å²	71	44.4 Å²	44.4	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-38.7	177.8	-178.4	176.2	-38.7	0	0	111.6	L85 K94 L95	L85-Q98 HydrophobicContact CD1-CB 4.07Å; L85-Q98 HydrophobicContact CD1-CG 4.33Å; K94-Q98 VanDerWaalsContact O-CB 3.25Å; K94-Q98 WeakPolarHBondContact O-CB 3.5Å; K94-Q98 PolarHBondContact O-N 3.27Å; L95-Q98 PolarHBondContact O-N 3.47Å
99	A	88.8	Confident	87.2	Confident	45 Å²	45	47.2 Å²	47.2	37%	0.372	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-42.3	173.2	0	0	0	0	0	112.4	L95 Q96 L97	L95-A99 PolarHBondContact O-N 2.91Å; Q96-A99 PolarHBondContact O-N 3.06Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 3.07Å
100	L	90.3	Very high	86.8	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-72.7	-32.9	177.5	-73.1	176.2	0	0	0	113.9	F28 L29 F32 S77 A80 Q96 L97 Q102 L391	F28-L100 HydrophobicContact CE1-CD1 3.78Å; F28-L100 HydrophobicContact CZ-CD1 4.14Å; L29-L100 HydrophobicContact CD2-CD1 3.81Å; F32-L100 HydrophobicContact CD1-CD1 4.38Å; F32-L100 HydrophobicContact CD2-CD1 4.16Å; F32-L100 HydrophobicContact CD2-CD2 4.23Å; F32-L100 HydrophobicContact CE1-CD2 4.29Å; F32-L100 HydrophobicContact CE2-CD1 4.37Å; F32-L100 HydrophobicContact CE2-CD2 3.63Å; F32-L100 HydrophobicContact CG-CD1 4.18Å; F32-L100 HydrophobicContact CZ-CD2 3.68Å; S77-L100 WeakPolarHBondContact CA-O 3.47Å; S77-L100 WeakPolarHBondContact CB-O 3.29Å; S77-L100 PolarHBondContact OG-O 3.13Å; A80-L100 HydrophobicContact CB-CB 3.72Å; A80-L100 HydrophobicContact CB-CD1 4.37Å; Q96-L100 PolarHBondContact O-N 3.34Å; Q96-L100 VanDerWaalsContact O-N 3.1Å; L97-L100 PolarHBondContact O-N 3.03Å; L100-Q102 PolarHBondContact O-N 2.82Å; L100-L391 HydrophobicContact CD1-CD1 3.8Å; L100-L391 HydrophobicContact CD2-CD1 4.15Å; L100-L391 HydrophobicContact CD2-CD2 4.05Å; L100-L391 HydrophobicContact CG-CD1 3.66Å; L100-L391 HydrophobicContact CG-CD2 4.32Å
101	Q	89.6	Confident	86.6	Confident	31 Å²	31	51.3 Å²	51.3	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-76.3	-8.3	-178.5	-73.2	173.5	4.3	0	0	113.4	A80 Q81 Y83 L97 N103	A80-Q101 HydrophobicContact CB-CG 4.01Å; A80-Q101 PolarHBondContact O-NE2 2.99Å; Q81-Q101 PolarHBondContact NE2-O 2.93Å; Y83-Q101 PolarHBondContact O-NE2 2.99Å; L97-Q101 WeakPolarHBondContact O-CB 3.32Å; L97-Q101 VanDerWaalsContact O-CG 3.25Å; L97-Q101 WeakPolarHBondContact O-CG 3.17Å; L97-Q101 PolarHBondContact O-N 3.04Å; Q101-N103 PolarHBondContact O-N 2.01Å; Q101-N103 VanDerWaalsContact O-N 3.1Å
102	Q	81.9	Confident	86.6	Confident	71 Å²	71	51 Å²	51	33%	0.332	28%	0.279	S	S	.	.			trans	-71.4	98.9	165	-71.2	-177.8	2.7	0	0	109.7	L100 G104 Y196	L100-Q102 PolarHBondContact O-N 2.82Å; Q102-G104 PolarHBondContact O-N 3.24Å; Q102-G104 VanDerWaalsContact O-N 3.08Å; Q102-Y196 PolarHBondContact NE2-OH 2.86Å
103	N	71.4	Confident	86.1	Confident	52 Å²	52	49.7 Å²	49.7	28%	0.278	27%	0.273	S	S	.	.			trans	-60.2	-21.4	179.4	-58.1	-63.2	0	0	0	112.7	Q81 Q101 S105 S106 V107 N194	Q81-N103 PolarHBondContact NE2-ND2 2.74Å; Q81-N103 PolarHBondContact NE2-OD1 3.29Å; Q101-N103 PolarHBondContact O-N 2.01Å; Q101-N103 VanDerWaalsContact O-N 3.1Å; N103-S105 PolarHBondContact O-N 3.3Å; N103-S106 VanDerWaalsContact O-CB 3.28Å; N103-S106 WeakPolarHBondContact O-CB 3.19Å; N103-S106 PolarHBondContact O-N 3.37Å; N103-S106 PolarHBondContact O-OG 2.86Å; N103-V107 HydrophobicContact CB-CB 4.13Å; N103-N194 PolarHBondContact N-OD1 3.27Å; N103-N194 VanDerWaalsContact N-OD1 3.15Å
104	G	76.8	Confident	85.6	Confident	11 Å²	11	56 Å²	56	11%	0.113	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	57.6	-135.2	174.9	0	0	0	0	0	111.7	Q102 S106 V107 M190 N194	Q102-G104 PolarHBondContact O-N 3.24Å; Q102-G104 VanDerWaalsContact O-N 3.08Å; G104-S106 PolarHBondContact O-N 3.25Å; G104-V107 WeakPolarHBondContact O-CG1 3.27Å; G104-M190 VanDerWaalsContact O-CG 3.27Å; G104-M190 WeakPolarHBondContact O-CG 3.3Å; G104-N194 PolarHBondContact N-OD1 3.3Å; G104-N194 PolarHBondContact O-ND2 2.83Å
105	S	73.1	Confident	85.5	Confident	57 Å²	57	58.1 Å²	58.1	40%	0.399	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-66.8	-15.9	175.7	57.6	0	0	0	0	114.4	N103 V107 L108	N103-S105 PolarHBondContact O-N 3.3Å; S105-V107 PolarHBondContact O-N 3.5Å; S105-L108 PolarHBondContact O-N 2.82Å
106	S	74.9	Confident	85.3	Confident	30 Å²	30	55.3 Å²	55.3	21%	0.21	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-72.7	-13	-176	82.2	0	0	0	0	114.3	N103 G104 L108	N103-S106 VanDerWaalsContact O-CB 3.28Å; N103-S106 WeakPolarHBondContact O-CB 3.19Å; N103-S106 PolarHBondContact O-N 3.37Å; N103-S106 PolarHBondContact O-OG 2.86Å; G104-S106 PolarHBondContact O-N 3.25Å; S106-L108 VanDerWaalsContact C-N 3.32Å
107	V	83.7	Confident	84.6	Confident	56 Å²	56	58.5 Å²	58.5	34%	0.339	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-74.8	-18.8	174.7	82.6	0	0	0	0	113.2	N103 G104 S105 M190 A193	N103-V107 HydrophobicContact CB-CB 4.13Å; G104-V107 WeakPolarHBondContact O-CG1 3.27Å; S105-V107 PolarHBondContact O-N 3.5Å; V107-M190 HydrophobicContact CG1-CG 4.3Å; V107-A193 HydrophobicContact CB-CB 4.29Å; V107-A193 HydrophobicContact CG1-CB 3.54Å; V107-A193 HydrophobicContact CG2-CB 3.73Å
108	L	83	Confident	84.1	Confident	10 Å²	10	61.6 Å²	61.6	5%	0.052	33%	0.327	C	S	.	.	S	Bend	trans	-72.5	152.1	172.8	-65.4	178.2	0	0	0	110.4	S105 S106 K112 L116 E189 M190	S105-L108 PolarHBondContact O-N 2.82Å; S106-L108 VanDerWaalsContact C-N 3.32Å; L108-K112 HydrophobicContact CB-CB 4.11Å; L108-L116 HydrophobicContact CD1-CD2 3.95Å; L108-E189 HydrophobicContact CD2-CB 4.3Å; L108-E189 HydrophobicContact CD2-CG 4.13Å; L108-M190 HydrophobicContact CD1-CB 4.21Å; L108-M190 HydrophobicContact CD2-CB 4.13Å; L108-M190 HydrophobicContact CG-CB 4.13Å; L108-M190 HydrophobicContact CG-CG 4.41Å
109	S	88.2	Confident	84.2	Confident	61 Å²	61	58.2 Å²	58.2	43%	0.427	31%	0.311	S	S	.	.			trans	-61.5	155.6	167.7	65.8	0	0	0	0	111	D111 K112 S113	S109-D111 VanDerWaalsContact C-N 3.31Å; S109-D111 PolarHBondContact O-N 2.6Å; S109-K112 PolarHBondContact O-N 2.75Å; S109-K112 WeakPolarHBondContact OG-CG 3.34Å; S109-S113 PolarHBondContact O-N 3.17Å
110	E	83.3	Confident	84.1	Confident	165 Å²	165	57.5 Å²	57.5	77%	0.771	30%	0.301	S	S	*	.	H	α-helix	trans	-53.2	-46.7	-176.8	-169	178.5	151	0	0	112.2	K112 S113 K114	E110-K112 PolarHBondContact O-N 2.82Å; E110-S113 PolarHBondContact O-N 3.2Å; E110-K114 VanDerWaalsContact O-CB 3.26Å; E110-K114 WeakPolarHBondContact O-CB 3.39Å; E110-K114 PolarHBondContact O-N 3.31Å
111	D	88.4	Confident	83.5	Confident	131 Å²	131	61.7 Å²	61.7	70%	0.701	32%	0.323	S	S	*	.	H	α-helix	trans	-59	-42.7	175.6	-61.4	-54.5	0	0	0	113	S109 R115	S109-D111 VanDerWaalsContact C-N 3.31Å; S109-D111 PolarHBondContact O-N 2.6Å; D111-R115 VanDerWaalsContact O-CB 3.23Å; D111-R115 WeakPolarHBondContact O-CB 3.16Å; D111-R115 PolarHBondContact O-N 3.18Å
112	K	90.3	Very high	83.4	Confident	73 Å²	73	62.8 Å²	62.8	32%	0.317	33%	0.332	S	S	.	.	H	α-helix	trans	-71.7	-39.3	-179.3	-74.4	-173	-176.5	-170.8	0	112	L108 S109 E110 R115 L116 L186 E189	L108-K112 HydrophobicContact CB-CB 4.11Å; S109-K112 PolarHBondContact O-N 2.75Å; S109-K112 WeakPolarHBondContact OG-CG 3.34Å; E110-K112 PolarHBondContact O-N 2.82Å; K112-R115 PolarHBondContact O-N 3.01Å; K112-L116 WeakPolarHBondContact O-CB 3.24Å; K112-L116 PolarHBondContact O-N 2.88Å; K112-L186 HydrophobicContact CB-CD2 4.2Å; K112-L186 HydrophobicContact CD-CD2 4.24Å; K112-L186 HydrophobicContact CG-CD2 4.14Å; K112-E189 WeakPolarHBondContact CD-OE1 3.39Å; K112-E189 IonicContact NZ-OE1 3.9Å; K112-E189 PolarHBondContact NZ-OE1 3.1Å; K112-E189 IonicContact NZ-OE2 2.65Å; K112-E189 PolarHBondContact NZ-OE2 2.91Å
113	S	82.5	Confident	83.9	Confident	26 Å²	26	59.4 Å²	59.4	18%	0.182	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-47.2	174.4	-172.6	0	0	0	0	110.8	S109 E110 R115 L116 N117	S109-S113 PolarHBondContact O-N 3.17Å; E110-S113 PolarHBondContact O-N 3.2Å; S113-R115 VanDerWaalsContact C-N 3.35Å; S113-R115 PolarHBondContact O-N 3.36Å; S113-L116 PolarHBondContact O-N 3.17Å; S113-N117 VanDerWaalsContact O-CG 3.31Å; S113-N117 PolarHBondContact O-N 3.42Å; S113-N117 PolarHBondContact O-OD1 3.4Å
114	K	83.6	Confident	84.4	Confident	145 Å²	145	58.8 Å²	58.8	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-61.9	-38.8	174.9	-172.3	170.7	-175.5	169.4	0	112.8	E110 T118	E110-K114 VanDerWaalsContact O-CB 3.26Å; E110-K114 WeakPolarHBondContact O-CB 3.39Å; E110-K114 PolarHBondContact O-N 3.31Å; K114-T118 WeakPolarHBondContact O-CB 3.32Å; K114-T118 PolarHBondContact O-N 3.14Å; K114-T118 PolarHBondContact O-OG1 2.94Å
115	R	91.9	Very high	84.6	Confident	106 Å²	106	62 Å²	62	40%	0.4	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-45.4	174.7	-179	56.8	178.9	165.7	4.2	111.8	D111 K112 S113 T118 I119 E182 L186	D111-R115 VanDerWaalsContact O-CB 3.23Å; D111-R115 WeakPolarHBondContact O-CB 3.16Å; D111-R115 PolarHBondContact O-N 3.18Å; K112-R115 PolarHBondContact O-N 3.01Å; S113-R115 VanDerWaalsContact C-N 3.35Å; S113-R115 PolarHBondContact O-N 3.36Å; R115-T118 WeakPolarHBondContact O-CB 3.36Å; R115-T118 PolarHBondContact O-N 3.36Å; R115-I119 HydrophobicContact CG-CD1 3.97Å; R115-I119 WeakPolarHBondContact O-CG1 3.36Å; R115-I119 PolarHBondContact O-N 3.14Å; R115-E182 VanDerWaalsContact CG-OE1 3.23Å; R115-E182 WeakPolarHBondContact CG-OE1 3.47Å; R115-E182 IonicContact CZ-OE1 2.78Å; R115-E182 IonicContact CZ-OE2 3.21Å; R115-E182 IonicContact NE-OE1 3.41Å; R115-E182 PolarHBondContact NE-OE1 3.39Å; R115-E182 IonicContact NE-OE2 2.59Å; R115-E182 PolarHBondContact NE-OE2 3.49Å; R115-E182 IonicContact NH2-OE1 3.97Å; R115-E182 IonicContact NH2-OE2 2.85Å; R115-E182 PolarHBondContact NH2-OE2 3.04Å; R115-L186 HydrophobicContact CB-CD1 4.49Å; R115-L186 HydrophobicContact CG-CD1 4.08Å
116	L	88.6	Confident	85.3	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-58.7	-48.5	175.6	179.1	59.3	0	0	0	111.3	L108 K112 S113 T118 I119 L120 Y183 L186 K187	L108-L116 HydrophobicContact CD1-CD2 3.95Å; K112-L116 WeakPolarHBondContact O-CB 3.24Å; K112-L116 PolarHBondContact O-N 2.88Å; S113-L116 PolarHBondContact O-N 3.17Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 2.66Å; L116-I119 PolarHBondContact O-N 3.19Å; L116-I119 VanDerWaalsContact O-N 3.15Å; L116-L120 HydrophobicContact CD1-CD1 4.3Å; L116-L120 HydrophobicContact CD1-CG 4.29Å; L116-L120 HydrophobicContact CG-CD1 4.1Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 2.91Å; L116-Y183 HydrophobicContact CD1-CD2 4.19Å; L116-L186 HydrophobicContact CB-CD1 4.14Å; L116-L186 HydrophobicContact CD1-CB 4.2Å; L116-K187 HydrophobicContact CD1-CD 4.4Å; L116-K187 HydrophobicContact CD1-CG 4.3Å; L116-K187 HydrophobicContact CD2-CD 4.22Å
117	N	80.7	Confident	85.9	Confident	77 Å²	77	60.3 Å²	60.3	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-37.6	177.5	-67.7	-1.2	0	0	0	111.9	S113 N121	S113-N117 VanDerWaalsContact O-CG 3.31Å; S113-N117 PolarHBondContact O-N 3.42Å; S113-N117 PolarHBondContact O-OD1 3.4Å; N117-N121 WeakPolarHBondContact O-CB 3.17Å; N117-N121 VanDerWaalsContact O-CG 3.24Å; N117-N121 PolarHBondContact O-N 3.02Å
118	T	85.6	Confident	85.7	Confident	64 Å²	64	61.3 Å²	61.3	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-63.1	-44.6	174.8	-57.9	0	0	0	0	111.2	K114 R115 L116 T122	K114-T118 WeakPolarHBondContact O-CB 3.32Å; K114-T118 PolarHBondContact O-N 3.14Å; K114-T118 PolarHBondContact O-OG1 2.94Å; R115-T118 WeakPolarHBondContact O-CB 3.36Å; R115-T118 PolarHBondContact O-N 3.36Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 2.66Å; T118-T122 VanDerWaalsContact O-CB 3.31Å; T118-T122 WeakPolarHBondContact O-CB 3.28Å; T118-T122 PolarHBondContact O-N 3.41Å; T118-T122 PolarHBondContact O-OG1 2.95Å
119	I	92.3	Very high	85.6	Confident	1 Å²	1	65 Å²	65	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-48.5	177.7	-67.6	159.2	0	0	0	110.7	R115 L116 N121 T122 M123 L179 E182 L186	R115-I119 HydrophobicContact CG-CD1 3.97Å; R115-I119 WeakPolarHBondContact O-CG1 3.36Å; R115-I119 PolarHBondContact O-N 3.14Å; L116-I119 PolarHBondContact O-N 3.19Å; L116-I119 VanDerWaalsContact O-N 3.15Å; I119-N121 PolarHBondContact O-N 2.95Å; I119-T122 PolarHBondContact O-N 2.88Å; I119-M123 HydrophobicContact CG2-CE 4.08Å; I119-M123 HydrophobicContact CG2-CG 4.33Å; I119-M123 HydrophobicContact CG2-SD 4.2Å; I119-M123 WeakPolarHBondContact O-CG 3.46Å; I119-M123 PolarHBondContact O-N 3.08Å; I119-L179 HydrophobicContact CG2-CB 4.16Å; I119-L179 HydrophobicContact CG2-CD2 4.48Å; I119-E182 HydrophobicContact CD1-CB 4.02Å; I119-E182 HydrophobicContact CD1-CG 3.79Å; I119-L186 HydrophobicContact CD1-CD1 3.78Å
120	L	85.2	Confident	85.6	Confident	30 Å²	30	62.6 Å²	62.6	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-57.2	-49.6	177.9	-69.1	170.6	0	0	0	111.7	L116 T122 M123 S124 Y183 D509	L116-L120 HydrophobicContact CD1-CD1 4.3Å; L116-L120 HydrophobicContact CD1-CG 4.29Å; L116-L120 HydrophobicContact CG-CD1 4.1Å; L116-L120 WeakPolarHBondContact O-CG 3.31Å; L116-L120 PolarHBondContact O-N 2.91Å; L120-T122 VanDerWaalsContact C-N 3.32Å; L120-T122 PolarHBondContact O-N 3.39Å; L120-M123 HydrophobicContact CD2-CE 4.19Å; L120-M123 PolarHBondContact O-N 2.9Å; L120-S124 WeakPolarHBondContact O-CB 3.47Å; L120-S124 PolarHBondContact O-N 3.3Å; L120-Y183 HydrophobicContact CD2-CD2 3.87Å; L120-Y183 HydrophobicContact CD2-CE2 3.82Å; L120-D509 HydrophobicContact CD2-CB 3.63Å
121	N	79.4	Confident	86	Confident	96 Å²	96	60.4 Å²	60.4	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-36	178.1	-70.3	-4.4	0	0	0	112.2	N117 I119 T125	N117-N121 WeakPolarHBondContact O-CB 3.17Å; N117-N121 VanDerWaalsContact O-CG 3.24Å; N117-N121 PolarHBondContact O-N 3.02Å; I119-N121 PolarHBondContact O-N 2.95Å; N121-T125 VanDerWaalsContact O-CB 3.31Å; N121-T125 WeakPolarHBondContact O-CB 2.8Å; N121-T125 PolarHBondContact O-N 3.18Å; N121-T125 PolarHBondContact O-OG1 3.29Å
122	T	86.6	Confident	86.4	Confident	53 Å²	53	54.3 Å²	54.3	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-68.7	-44.8	175.6	-60.6	0	0	0	0	111.7	T118 I119 L120 T125 I126 L179	T118-T122 VanDerWaalsContact O-CB 3.31Å; T118-T122 WeakPolarHBondContact O-CB 3.28Å; T118-T122 PolarHBondContact O-N 3.41Å; T118-T122 PolarHBondContact O-OG1 2.95Å; I119-T122 PolarHBondContact O-N 2.88Å; L120-T122 VanDerWaalsContact C-N 3.32Å; L120-T122 PolarHBondContact O-N 3.39Å; T122-T125 PolarHBondContact O-N 3.14Å; T122-I126 HydrophobicContact CG2-CD1 3.7Å; T122-I126 HydrophobicContact CG2-CG1 4.39Å; T122-I126 WeakPolarHBondContact O-CB 3.28Å; T122-I126 VanDerWaalsContact O-CG1 3.3Å; T122-I126 WeakPolarHBondContact O-CG1 3.46Å; T122-I126 PolarHBondContact O-N 3.33Å; T122-L179 HydrophobicContact CG2-CD1 3.68Å; T122-L179 HydrophobicContact CG2-CD2 4.39Å
123	M	92.8	Very high	86.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-44.3	177.3	-67.4	-168.5	-54.2	0	0	111.9	I119 L120 T125 I126 Y127 L176 L179 Y180 Y183 S507	I119-M123 HydrophobicContact CG2-CE 4.08Å; I119-M123 HydrophobicContact CG2-CG 4.33Å; I119-M123 HydrophobicContact CG2-SD 4.2Å; I119-M123 WeakPolarHBondContact O-CG 3.46Å; I119-M123 PolarHBondContact O-N 3.08Å; L120-M123 HydrophobicContact CD2-CE 4.19Å; L120-M123 PolarHBondContact O-N 2.9Å; M123-T125 PolarHBondContact O-N 3.36Å; M123-I126 PolarHBondContact O-N 3.41Å; M123-Y127 WeakPolarHBondContact O-CB 3.48Å; M123-Y127 PolarHBondContact O-N 3.3Å; M123-L176 HydrophobicContact CB-CD2 3.76Å; M123-L176 HydrophobicContact CG-CD2 3.74Å; M123-L179 HydrophobicContact CG-CB 3.72Å; M123-L179 HydrophobicContact CG-CD1 3.87Å; M123-L179 HydrophobicContact CG-CG 4.42Å; M123-L179 HydrophobicContact SD-CB 3.89Å; M123-Y180 HydrophobicContact CE-CD2 4.49Å; M123-Y180 HydrophobicContact SD-CD2 4.15Å; M123-Y183 HydrophobicContact CE-CD2 3.94Å; M123-Y183 HydrophobicContact CE-CE2 4.49Å; M123-Y183 HydrophobicContact CE-CG 4.09Å; M123-S507 WeakPolarHBondContact CB-O 3.18Å
124	S	82.1	Confident	86.7	Confident	40 Å²	40	54.1 Å²	54.1	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-41.9	174.9	-177.8	0	0	0	0	112.7	L120 Y127 S128 N508	L120-S124 WeakPolarHBondContact O-CB 3.47Å; L120-S124 PolarHBondContact O-N 3.3Å; S124-Y127 PolarHBondContact O-N 3.26Å; S124-S128 WeakPolarHBondContact O-CB 3.35Å; S124-S128 PolarHBondContact O-N 3.03Å; S124-S128 PolarHBondContact O-OG 2.96Å; S124-N508 WeakPolarHBondContact CB-ND2 3.26Å; S124-N508 PolarHBondContact OG-ND2 3.44Å
125	T	80.3	Confident	86.6	Confident	77 Å²	77	49.9 Å²	49.9	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-66.8	-42.5	176.7	-57.4	0	0	0	0	111.6	N121 T122 M123 S128 T129	N121-T125 VanDerWaalsContact O-CB 3.31Å; N121-T125 WeakPolarHBondContact O-CB 2.8Å; N121-T125 PolarHBondContact O-N 3.18Å; N121-T125 PolarHBondContact O-OG1 3.29Å; T122-T125 PolarHBondContact O-N 3.14Å; M123-T125 PolarHBondContact O-N 3.36Å; T125-S128 PolarHBondContact O-N 3.49Å; T125-S128 PolarHBondContact O-OG 2.83Å; T125-T129 HydrophobicContact CG2-CG2 4.42Å; T125-T129 WeakPolarHBondContact O-CB 3.46Å; T125-T129 PolarHBondContact O-N 3.22Å; T125-T129 PolarHBondContact O-OG1 2.95Å
126	I	88.6	Confident	86.2	Confident	24 Å²	24	50.3 Å²	50.3	12%	0.123	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-41.5	176.9	-76.4	170.2	0	0	0	111.1	T122 M123 G130 V172 Q175 L176 L179	T122-I126 HydrophobicContact CG2-CD1 3.7Å; T122-I126 HydrophobicContact CG2-CG1 4.39Å; T122-I126 WeakPolarHBondContact O-CB 3.28Å; T122-I126 VanDerWaalsContact O-CG1 3.3Å; T122-I126 WeakPolarHBondContact O-CG1 3.46Å; T122-I126 PolarHBondContact O-N 3.33Å; M123-I126 PolarHBondContact O-N 3.41Å; I126-G130 VanDerWaalsContact O-CA 3.27Å; I126-G130 WeakPolarHBondContact O-CA 3.18Å; I126-G130 PolarHBondContact O-N 2.96Å; I126-V172 HydrophobicContact CG2-CG1 3.76Å; I126-Q175 HydrophobicContact CD1-CB 4.27Å; I126-Q175 HydrophobicContact CG2-CB 4.31Å; I126-L176 HydrophobicContact CB-CD2 4.09Å; I126-L176 HydrophobicContact CG2-CD1 4.49Å; I126-L176 HydrophobicContact CG2-CD2 3.67Å; I126-L176 HydrophobicContact CG2-CG 3.89Å; I126-L179 HydrophobicContact CD1-CD1 3.68Å
127	Y	87.9	Confident	86.2	Confident	28 Å²	28	53.1 Å²	53.1	11%	0.11	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-45.3	175.6	-175.1	-85.8	0	0	0	112.4	M123 S124 L144 W168 W271 S502 F504 S507	M123-Y127 WeakPolarHBondContact O-CB 3.48Å; M123-Y127 PolarHBondContact O-N 3.3Å; S124-Y127 PolarHBondContact O-N 3.26Å; Y127-L144 HydrophobicContact CE1-CD2 3.87Å; Y127-L144 HydrophobicContact CE2-CD2 4.08Å; Y127-L144 VanDerWaalsContact CZ-CD2 3.47Å; Y127-L144 VanDerWaalsContact OH-CD2 3.27Å; Y127-L144 WeakPolarHBondContact OH-CD2 3.36Å; Y127-W168 HydrophobicContact CD2-CZ2 4.1Å; Y127-W168 HydrophobicContact CE2-CZ2 4.15Å; Y127-W168 WeakPolarHBondContact O-CH2 3.43Å; Y127-W271 HydrophobicContact CE2-CZ2 4.41Å; Y127-W271 WeakPolarHBondContact OH-CH2 3.42Å; Y127-W271 WeakPolarHBondContact OH-CZ2 3.44Å; Y127-S502 WeakPolarHBondContact CE2-O 3.37Å; Y127-F504 HydrophobicContact CD1-CD2 4.01Å; Y127-F504 HydrophobicContact CE1-CB 3.87Å; Y127-F504 AromaticContact CE1-CD2 3.8Å; Y127-F504 HydrophobicContact CE1-CD2 3.8Å; Y127-F504 HydrophobicContact CE1-CG 4.32Å; Y127-F504 HydrophobicContact CE2-CB 4.22Å; Y127-F504 PolarHBondContact OH-N 3.42Å; Y127-S507 WeakPolarHBondContact CD2-OG 3.43Å
128	S	78.1	Confident	86.6	Confident	78 Å²	78	54 Å²	54	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-80.8	-20.4	-174.5	53.9	0	0	0	0	115.1	S124 T125	S124-S128 WeakPolarHBondContact O-CB 3.35Å; S124-S128 PolarHBondContact O-N 3.03Å; S124-S128 PolarHBondContact O-OG 2.96Å; T125-S128 PolarHBondContact O-N 3.49Å; T125-S128 PolarHBondContact O-OG 2.83Å
129	T	81.3	Confident	86.8	Confident	86 Å²	86	59.6 Å²	59.6	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-119.2	-4	-179	68.4	0	0	0	0	114.2	T125	T125-T129 HydrophobicContact CG2-CG2 4.42Å; T125-T129 WeakPolarHBondContact O-CB 3.46Å; T125-T129 PolarHBondContact O-N 3.22Å; T125-T129 PolarHBondContact O-OG1 2.95Å
130	G	88.6	Confident	86.7	Confident	12 Å²	12	64 Å²	64	12%	0.124	37%	0.366	C	S	.	.			trans	-60.7	142.1	174.2	0	0	0	0	0	111.9	I126 L143	I126-G130 VanDerWaalsContact O-CA 3.27Å; I126-G130 WeakPolarHBondContact O-CA 3.18Å; I126-G130 PolarHBondContact O-N 2.96Å; G130-L143 WeakPolarHBondContact O-CD2 2.99Å
131	K	92.3	Very high	87.1	Confident	118 Å²	118	64.5 Å²	64.5	51%	0.513	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.9	-175.9	64.7	-175.7	-175.8	173	0	111.7	C141 L142 L143	K131-C141 HydrophobicContact CB-CB 4.4Å; K131-C141 HydrophobicContact CD-CB 3.86Å; K131-C141 HydrophobicContact CG-CB 4.19Å; K131-L142 CarbonylContact C-O 3.53Å; K131-L142 WeakPolarHBondContact CA-O 2.86Å; K131-L142 WeakPolarHBondContact CB-O 3.44Å; K131-L143 HydrophobicContact CB-CD2 4.23Å
132	V	95.3	Very high	87.7	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.7	178.8	-177.7	0	0	0	0	108.6	C141 L142 L148 W163 G167 W168	V132-C141 CarbonylContact O-C 3.33Å; V132-C141 VanDerWaalsContact O-CA 3.27Å; V132-C141 WeakPolarHBondContact O-CA 3.23Å; V132-L142 PolarHBondContact N-O 2.83Å; V132-L142 PolarHBondContact O-N 2.92Å; V132-L148 HydrophobicContact CB-CD1 4.06Å; V132-L148 HydrophobicContact CB-CD2 4.33Å; V132-L148 HydrophobicContact CG2-CD1 3.65Å; V132-W163 HydrophobicContact CB-CZ2 4.48Å; V132-W163 HydrophobicContact CG1-CZ2 3.76Å; V132-G167 WeakPolarHBondContact CG2-O 3.49Å; V132-W168 HydrophobicContact CG2-CE3 4.2Å
133	C	93	Very high	87.9	Confident	50 Å²	50	63.5 Å²	63.5	34%	0.338	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.5	-178	-54.3	0	0	0	0	112.1	E140 C141	C133-E140 CarbonylContact C-O 3.51Å; C133-E140 WeakPolarHBondContact CA-O 3.5Å; C133-C141 HydrophobicContact CB-CB 4Å; C133-C141 WeakPolarHBondContact CB-SG 3.36Å; C133-C141 WeakPolarHBondContact SG-CB 2.9Å; C133-C141 CovalentContact SG-SG 2.04Å; C133-C141 PolarHBondContact SG-SG 3.01Å
134	N	87.4	Confident	87.6	Confident	45 Å²	45	64.1 Å²	64.1	24%	0.241	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	124.9	179.3	-177.6	-24.1	0	0	0	110.1	S136 N137 E140	N134-S136 PolarHBondContact O-N 3.23Å; N134-S136 WeakPolarHBondContact OD1-CB 3.26Å; N134-S136 PolarHBondContact OD1-N 3.39Å; N134-N137 HydrophobicContact CB-CB 4.26Å; N134-N137 CarbonylContact O-C 3.03Å; N134-N137 PolarHBondContact O-N 3.41Å; N134-E140 HydrophobicContact CB-CB 4.39Å; N134-E140 HydrophobicContact CB-CG 4.44Å; N134-E140 PolarHBondContact N-O 2.89Å; N134-E140 PolarHBondContact ND2-OE2 3.43Å
135	P	81.6	Confident	87.5	Confident	56 Å²	56	67.3 Å²	67.3	36%	0.364	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.5	-179.1	-25.5	35.1	0	0	0	113.8	K689	P135-K689 HydrophobicContact CB-CB 4.34Å; P135-K689 WeakPolarHBondContact CB-O 3.39Å
136	S	83.4	Confident	87.4	Confident	115 Å²	115	67.9 Å²	67.9	80%	0.804	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-24.1	176.5	-60.4	0	0	0	0	112.8	N134	N134-S136 PolarHBondContact O-N 3.23Å; N134-S136 WeakPolarHBondContact OD1-CB 3.26Å; N134-S136 PolarHBondContact OD1-N 3.39Å
137	N	87.8	Confident	87.4	Confident	61 Å²	61	67.4 Å²	67.4	33%	0.326	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	80.9	-177.9	-177.5	15.7	0	0	0	111.5	N134 Q139 E140	N134-N137 HydrophobicContact CB-CB 4.26Å; N134-N137 CarbonylContact O-C 3.03Å; N134-N137 PolarHBondContact O-N 3.41Å; N137-Q139 PolarHBondContact O-N 2.8Å; N137-E140 HydrophobicContact CB-CB 4.25Å; N137-E140 VanDerWaalsContact ND2-CB 3.28Å; N137-E140 WeakPolarHBondContact ND2-CB 3.43Å; N137-E140 PolarHBondContact ND2-OE2 2.89Å; N137-E140 WeakPolarHBondContact O-CB 3.47Å; N137-E140 PolarHBondContact O-N 3.22Å
138	P	89.3	Confident	87.7	Confident	96 Å²	96	66.1 Å²	66.1	62%	0.623	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	0.1	-175.2	-24.9	36	0	0	0	116.2
139	Q	88.9	Confident	88.3	Confident	182 Å²	182	63.9 Å²	63.9	85%	0.85	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	-20.1	173.3	-59.5	177.9	7	0	0	112.1	N137	N137-Q139 PolarHBondContact O-N 2.8Å
140	E	91.4	Very high	88.8	Confident	93 Å²	93	64.4 Å²	64.4	44%	0.435	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.8	179.3	175.9	174.9	-155.1	0	0	108.9	C133 N134 N137	C133-E140 CarbonylContact C-O 3.51Å; C133-E140 WeakPolarHBondContact CA-O 3.5Å; N134-E140 HydrophobicContact CB-CB 4.39Å; N134-E140 HydrophobicContact CB-CG 4.44Å; N134-E140 PolarHBondContact N-O 2.89Å; N134-E140 PolarHBondContact ND2-OE2 3.43Å; N137-E140 HydrophobicContact CB-CB 4.25Å; N137-E140 VanDerWaalsContact ND2-CB 3.28Å; N137-E140 WeakPolarHBondContact ND2-CB 3.43Å; N137-E140 PolarHBondContact ND2-OE2 2.89Å; N137-E140 WeakPolarHBondContact O-CB 3.47Å; N137-E140 PolarHBondContact O-N 3.22Å
141	C	92.6	Very high	89.2	Confident	41 Å²	41	65 Å²	65	28%	0.277	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.1	-178	-50.1	0	0	0	0	110.7	K131 V132 C133	K131-C141 HydrophobicContact CB-CB 4.4Å; K131-C141 HydrophobicContact CD-CB 3.86Å; K131-C141 HydrophobicContact CG-CB 4.19Å; V132-C141 CarbonylContact O-C 3.33Å; V132-C141 VanDerWaalsContact O-CA 3.27Å; V132-C141 WeakPolarHBondContact O-CA 3.23Å; C133-C141 HydrophobicContact CB-CB 4Å; C133-C141 WeakPolarHBondContact CB-SG 3.36Å; C133-C141 WeakPolarHBondContact SG-CB 2.9Å; C133-C141 CovalentContact SG-SG 2.04Å; C133-C141 PolarHBondContact SG-SG 3.01Å
142	L	92.9	Very high	89.4	Confident	50 Å²	50	59.4 Å²	59.4	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.5	-177.2	-57.7	-177.8	0	0	0	110.5	K131 V132 L148 I151 W163	K131-L142 CarbonylContact C-O 3.53Å; K131-L142 WeakPolarHBondContact CA-O 2.86Å; K131-L142 WeakPolarHBondContact CB-O 3.44Å; V132-L142 PolarHBondContact N-O 2.83Å; V132-L142 PolarHBondContact O-N 2.92Å; L142-L148 HydrophobicContact CB-CD2 3.89Å; L142-L148 HydrophobicContact CB-CG 4.06Å; L142-L148 HydrophobicContact CD1-CD2 4.14Å; L142-I151 HydrophobicContact CD1-CD1 3.56Å; L142-W163 HydrophobicContact CD1-CH2 4.04Å; L142-W163 HydrophobicContact CD1-CZ3 4.34Å
143	L	90.2	Very high	89.2	Confident	78 Å²	78	63 Å²	63	41%	0.408	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	162.1	162.2	-67.6	167.9	0	0	0	109.6	G130 K131 G147 L148	G130-L143 WeakPolarHBondContact O-CD2 2.99Å; K131-L143 HydrophobicContact CB-CD2 4.23Å; L143-G147 WeakPolarHBondContact O-CA 3.49Å; L143-G147 PolarHBondContact O-N 2.89Å; L143-L148 PolarHBondContact O-N 2.88Å
144	L	87.1	Confident	89.3	Confident	12 Å²	12	66.9 Å²	66.9	6%	0.063	36%	0.364	C	S	.	.	I	π-helix	trans	-55.3	-55.3	172.8	-178.8	65.4	0	0	0	111.5	Y127 P146 L148 N149 W168 M270 W271	Y127-L144 HydrophobicContact CE1-CD2 3.87Å; Y127-L144 HydrophobicContact CE2-CD2 4.08Å; Y127-L144 VanDerWaalsContact CZ-CD2 3.47Å; Y127-L144 VanDerWaalsContact OH-CD2 3.27Å; Y127-L144 WeakPolarHBondContact OH-CD2 3.36Å; L144-P146 CarbonylContact O-C 3.2Å; L144-L148 HydrophobicContact CD1-CB 4.33Å; L144-L148 PolarHBondContact O-N 2.96Å; L144-L148 VanDerWaalsContact O-N 3.11Å; L144-N149 WeakPolarHBondContact CD1-OD1 3.46Å; L144-N149 WeakPolarHBondContact O-CB 3.25Å; L144-N149 VanDerWaalsContact O-CG 3.24Å; L144-N149 PolarHBondContact O-N 2.92Å; L144-N149 PolarHBondContact O-OD1 2.83Å; L144-W168 HydrophobicContact CB-CE3 4.4Å; L144-W168 HydrophobicContact CB-CH2 3.68Å; L144-W168 HydrophobicContact CB-CZ2 4.08Å; L144-W168 HydrophobicContact CB-CZ3 3.83Å; L144-W168 HydrophobicContact CD1-CD2 4.23Å; L144-W168 HydrophobicContact CD1-CZ2 4.37Å; L144-W168 HydrophobicContact CD2-CH2 4.18Å; L144-W168 HydrophobicContact CD2-CZ2 3.75Å; L144-W168 HydrophobicContact CG-CH2 4.39Å; L144-W168 HydrophobicContact CG-CZ2 4.29Å; L144-M270 HydrophobicContact CD1-CB 4.45Å; L144-M270 HydrophobicContact CD1-CE 3.99Å; L144-M270 HydrophobicContact CD1-CG 4.14Å; L144-W271 HydrophobicContact CD2-CH2 4.17Å; L144-W271 HydrophobicContact CD2-CZ2 4.15Å
145	D	79.3	Confident	89.7	Confident	107 Å²	107	65.6 Å²	65.6	57%	0.572	36%	0.359	S	S	*	.	I	π-helix	trans	-109.3	127.2	177.1	-171	5.7	0	0	0	109.2
146	P	78.2	Confident	90.5	Very high	89 Å²	89	68 Å²	68	58%	0.578	37%	0.368	S	S	*	.	I	π-helix	cis	-82.9	-13.8	-5.2	33.7	-35.8	0	0	0	114.5	L144 E150	L144-P146 CarbonylContact O-C 3.2Å; P146-E150 WeakPolarHBondContact O-CB 3.29Å; P146-E150 PolarHBondContact O-N 2.92Å
147	G	88.8	Confident	91.1	Very high	15 Å²	15	66.1 Å²	66.1	16%	0.155	35%	0.349	C	S	.	.	I	π-helix	trans	-64.1	-59.1	-158.5	0	0	0	0	0	115.8	L143	L143-G147 WeakPolarHBondContact O-CA 3.49Å; L143-G147 PolarHBondContact O-N 2.89Å
148	L	94.7	Very high	91.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.337	C	S	.	.	I	π-helix	trans	-75.4	-30.3	-178.5	-57.6	172	0	0	0	112	V132 L142 L143 L144 I151 M152 W163 A164 W168 M270	V132-L148 HydrophobicContact CB-CD1 4.06Å; V132-L148 HydrophobicContact CB-CD2 4.33Å; V132-L148 HydrophobicContact CG2-CD1 3.65Å; L142-L148 HydrophobicContact CB-CD2 3.89Å; L142-L148 HydrophobicContact CB-CG 4.06Å; L142-L148 HydrophobicContact CD1-CD2 4.14Å; L143-L148 PolarHBondContact O-N 2.88Å; L144-L148 HydrophobicContact CD1-CB 4.33Å; L144-L148 PolarHBondContact O-N 2.96Å; L144-L148 VanDerWaalsContact O-N 3.11Å; L148-I151 PolarHBondContact O-N 2.78Å; L148-M152 VanDerWaalsContact O-CG 3.29Å; L148-M152 WeakPolarHBondContact O-CG 3.13Å; L148-M152 PolarHBondContact O-N 3.23Å; L148-W163 HydrophobicContact CD2-CH2 4.24Å; L148-W163 HydrophobicContact CD2-CZ3 4.4Å; L148-A164 HydrophobicContact CD2-CB 4.02Å; L148-W168 HydrophobicContact CD1-CD2 4.45Å; L148-W168 HydrophobicContact CD1-CE3 3.71Å; L148-W168 HydrophobicContact CD1-CZ3 4.36Å; L148-M270 HydrophobicContact CB-CE 3.81Å; L148-M270 HydrophobicContact CD1-CE 4.29Å
149	N	89.8	Confident	91.9	Very high	32 Å²	32	62.4 Å²	62.4	17%	0.171	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-51.6	173.2	-74.7	-11	0	0	0	110.5	L144 I151 M152 E153	L144-N149 WeakPolarHBondContact CD1-OD1 3.46Å; L144-N149 WeakPolarHBondContact O-CB 3.25Å; L144-N149 VanDerWaalsContact O-CG 3.24Å; L144-N149 PolarHBondContact O-N 2.92Å; L144-N149 PolarHBondContact O-OD1 2.83Å; N149-I151 VanDerWaalsContact C-N 3.27Å; N149-I151 PolarHBondContact O-N 2.69Å; N149-M152 CarbonylContact O-C 3.58Å; N149-M152 PolarHBondContact O-N 2.91Å; N149-E153 WeakPolarHBondContact O-CB 3.45Å; N149-E153 WeakPolarHBondContact O-CG 3.39Å; N149-E153 PolarHBondContact O-N 2.92Å
150	E	92.2	Very high	92.2	Very high	97 Å²	97	57.7 Å²	57.7	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-57.7	-38.5	-179.8	178.4	159.8	-144	0	0	112.7	P146 K154	P146-E150 WeakPolarHBondContact O-CB 3.29Å; P146-E150 PolarHBondContact O-N 2.92Å; E150-K154 HydrophobicContact CG-CD 3.9Å; E150-K154 WeakPolarHBondContact O-CB 3.44Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 2.04Å
151	I	96.3	Very high	92.6	Very high	24 Å²	24	53.6 Å²	53.6	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-49.1	173.6	-66.2	175.2	0	0	0	110.8	L142 L148 N149 E153 S155 E160 W163 A164	L142-I151 HydrophobicContact CD1-CD1 3.56Å; L148-I151 PolarHBondContact O-N 2.78Å; N149-I151 VanDerWaalsContact C-N 3.27Å; N149-I151 PolarHBondContact O-N 2.69Å; I151-E153 VanDerWaalsContact C-N 3.29Å; I151-E153 PolarHBondContact O-N 2.89Å; I151-S155 WeakPolarHBondContact O-CB 3.29Å; I151-S155 PolarHBondContact O-N 3.05Å; I151-E160 HydrophobicContact CG2-CG 3.87Å; I151-W163 HydrophobicContact CD1-CZ3 3.88Å; I151-A164 HydrophobicContact CG2-CB 4.08Å
152	M	97.3	Very high	92.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71	-23.4	-178.1	-65.1	-57	-68.8	0	0	113.3	L148 N149 R161 A164 W165 H265 G268 D269 M270	L148-M152 VanDerWaalsContact O-CG 3.29Å; L148-M152 WeakPolarHBondContact O-CG 3.13Å; L148-M152 PolarHBondContact O-N 3.23Å; N149-M152 CarbonylContact O-C 3.58Å; N149-M152 PolarHBondContact O-N 2.91Å; M152-R161 PolarHBondContact O-NH1 3.46Å; M152-R161 PolarHBondContact O-NH2 3.12Å; M152-R161 HydrophobicContact SD-CB 4.16Å; M152-A164 HydrophobicContact CG-CB 4.4Å; M152-A164 HydrophobicContact SD-CB 3.97Å; M152-W165 HydrophobicContact CE-CB 4.04Å; M152-W165 HydrophobicContact CE-CG 4.4Å; M152-W165 HydrophobicContact SD-CB 4.42Å; M152-H265 HydrophobicContact CE-CB 4.15Å; M152-H265 VanDerWaalsContact CE-O 3.28Å; M152-H265 WeakPolarHBondContact CE-O 3.27Å; M152-G268 CarbonylContact O-C 3.49Å; M152-G268 VanDerWaalsContact O-C 3.28Å; M152-D269 WeakPolarHBondContact CE-O 3.38Å; M152-M270 HydrophobicContact CG-CB 4.46Å; M152-M270 HydrophobicContact CG-CE 3.89Å; M152-M270 HydrophobicContact CG-SD 4.42Å
153	E	91.4	Very high	93	Very high	81 Å²	81	51.7 Å²	51.7	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-78.8	-49	173.3	-70.3	166.6	-168.7	0	0	111.8	N149 I151	N149-E153 WeakPolarHBondContact O-CB 3.45Å; N149-E153 WeakPolarHBondContact O-CG 3.39Å; N149-E153 PolarHBondContact O-N 2.92Å; I151-E153 VanDerWaalsContact C-N 3.29Å; I151-E153 PolarHBondContact O-N 2.89Å
154	K	93.6	Very high	93.3	Very high	131 Å²	131	48 Å²	48	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-110.3	-25.3	-163	-54.9	-178.9	-165	171.5	0	115.4	E150	E150-K154 HydrophobicContact CG-CD 3.9Å; E150-K154 WeakPolarHBondContact O-CB 3.44Å; E150-K154 PolarHBondContact O-N 2.81Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 2.04Å
155	S	97.3	Very high	93.8	Very high	17 Å²	17	47.4 Å²	47.4	12%	0.119	24%	0.243	C	C	.	.			trans	-68.6	143.7	-175.6	-174.1	0	0	0	0	111.6	I151 D157 E160 R161	I151-S155 WeakPolarHBondContact O-CB 3.29Å; I151-S155 PolarHBondContact O-N 3.05Å; S155-D157 PolarHBondContact OG-N 2.99Å; S155-D157 VanDerWaalsContact OG-N 3.15Å; S155-E160 WeakPolarHBondContact CB-OE2 3.46Å; S155-E160 PolarHBondContact OG-OE2 2.78Å; S155-R161 WeakPolarHBondContact O-CD 3.46Å; S155-R161 PolarHBondContact O-NH1 3.11Å
156	L	97.3	Very high	94.7	Very high	107 Å²	107	42.8 Å²	42.8	56%	0.56	22%	0.218	S	C	*	.			trans	-112.4	5.2	171.8	-58.8	-177.6	0	0	0	112.3	Y252 L281	L156-Y252 WeakPolarHBondContact O-CE1 3.3Å; L156-L281 HydrophobicContact CD1-CD2 4.36Å; L156-L281 HydrophobicContact CD2-CD1 3.87Å; L156-L281 HydrophobicContact CD2-CD2 3.89Å; L156-L281 HydrophobicContact CD2-CG 4.26Å
157	D	97.7	Very high	95.6	Very high	75 Å²	75	38.9 Å²	38.9	40%	0.401	19%	0.193	S	C	.	.			trans	-85.7	120.9	173.5	-170.8	-69.1	0	0	0	110.1	S155 N159 E160 R161	S155-D157 PolarHBondContact OG-N 2.99Å; S155-D157 VanDerWaalsContact OG-N 3.15Å; D157-N159 VanDerWaalsContact C-N 3.28Å; D157-N159 PolarHBondContact O-N 2.63Å; D157-N159 WeakPolarHBondContact OD1-CA 3.33Å; D157-N159 VanDerWaalsContact OD1-CB 3.24Å; D157-N159 WeakPolarHBondContact OD1-CB 3.46Å; D157-N159 PolarHBondContact OD1-N 2.96Å; D157-N159 PolarHBondContact OD1-ND2 3.34Å; D157-N159 VanDerWaalsContact OD1-ND2 3.14Å; D157-E160 HydrophobicContact CB-CB 3.94Å; D157-E160 PolarHBondContact OD1-N 2.77Å; D157-R161 WeakPolarHBondContact O-CB 3.41Å; D157-R161 WeakPolarHBondContact O-CG 3.2Å; D157-R161 PolarHBondContact O-N 2.72Å
158	Y	97.4	Very high	96	Very high	20 Å²	20	38.1 Å²	38.1	8%	0.078	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-41.4	179.4	-179.8	-86	0	0	0	112.2	L162 Y252 Y255 H265 L266	Y158-L162 HydrophobicContact CE1-CD2 3.86Å; Y158-L162 WeakPolarHBondContact O-CB 3.36Å; Y158-L162 PolarHBondContact O-N 2.72Å; Y158-Y252 HydrophobicContact CD2-CD1 4.31Å; Y158-Y255 AromaticContact CD1-CD1 3.83Å; Y158-Y255 HydrophobicContact CD1-CD1 3.83Å; Y158-Y255 AromaticContact CD1-CE1 3.57Å; Y158-Y255 HydrophobicContact CD1-CE1 3.57Å; Y158-Y255 AromaticContact CD2-CD1 3.68Å; Y158-Y255 HydrophobicContact CD2-CD1 3.68Å; Y158-Y255 HydrophobicContact CD2-CD2 4.12Å; Y158-Y255 HydrophobicContact CD2-CE1 4.19Å; Y158-Y255 AromaticContact CD2-CG 3.63Å; Y158-Y255 HydrophobicContact CD2-CG 3.63Å; Y158-Y255 AromaticContact CE1-CD1 3.63Å; Y158-Y255 HydrophobicContact CE1-CD1 3.63Å; Y158-Y255 AromaticContact CE1-CE1 3.63Å; Y158-Y255 HydrophobicContact CE1-CE1 3.63Å; Y158-Y255 AromaticContact CE2-CD1 3.46Å; Y158-Y255 HydrophobicContact CE2-CD1 3.46Å; Y158-Y255 VanDerWaalsContact CE2-CD1 3.46Å; Y158-Y255 HydrophobicContact CE2-CE1 4.23Å; Y158-Y255 AromaticContact CE2-CG 3.67Å; Y158-Y255 HydrophobicContact CE2-CG 3.67Å; Y158-Y255 AromaticContact CG-CD1 3.88Å; Y158-Y255 HydrophobicContact CG-CD1 3.88Å; Y158-Y255 HydrophobicContact CG-CD2 4.32Å; Y158-Y255 AromaticContact CG-CE1 3.89Å; Y158-Y255 HydrophobicContact CG-CE1 3.89Å; Y158-Y255 HydrophobicContact CG-CE2 4.34Å; Y158-Y255 HydrophobicContact CG-CG 4.09Å; Y158-Y255 AromaticContact CZ-CD1 3.45Å; Y158-Y255 VanDerWaalsContact CZ-CD1 3.45Å; Y158-Y255 AromaticContact CZ-CE1 3.98Å; Y158-H265 AromaticContact CD2-NE2 3.46Å; Y158-H265 WeakPolarHBondContact CD2-NE2 3.34Å; Y158-H265 AromaticContact CE1-NE2 3.9Å; Y158-H265 AromaticContact CE2-CE1 3.49Å; Y158-H265 VanDerWaalsContact CE2-CE1 3.49Å; Y158-H265 WeakPolarHBondContact CE2-CE1 3.36Å; Y158-H265 AromaticContact CE2-NE2 3.17Å; Y158-H265 WeakPolarHBondContact CE2-NE2 3.46Å; Y158-H265 AromaticContact CG-NE2 3.93Å; Y158-H265 AromaticContact CZ-CE1 3.5Å; Y158-H265 AromaticContact CZ-NE2 3.4Å; Y158-L266 HydrophobicContact CD2-CD1 3.94Å; Y158-L266 HydrophobicContact CD2-CD2 3.98Å; Y158-L266 HydrophobicContact CD2-CG 4.41Å; Y158-L266 HydrophobicContact CE2-CD1 3.97Å
159	N	95.7	Very high	96.2	Very high	59 Å²	59	38.5 Å²	38.5	32%	0.316	19%	0.187	S	C	.	.	H	α-helix	trans	-78.3	-37.6	-171.6	-45.1	-71	0	0	0	111.8	D157 L162 W163 S692	D157-N159 VanDerWaalsContact C-N 3.28Å; D157-N159 PolarHBondContact O-N 2.63Å; D157-N159 WeakPolarHBondContact OD1-CA 3.33Å; D157-N159 VanDerWaalsContact OD1-CB 3.24Å; D157-N159 WeakPolarHBondContact OD1-CB 3.46Å; D157-N159 PolarHBondContact OD1-N 2.96Å; D157-N159 PolarHBondContact OD1-ND2 3.34Å; D157-N159 VanDerWaalsContact OD1-ND2 3.14Å; N159-L162 PolarHBondContact O-N 3.48Å; N159-W163 WeakPolarHBondContact O-CB 3.39Å; N159-W163 PolarHBondContact O-N 3Å; N159-S692 PolarHBondContact O-OG 2.86Å
160	E	95.9	Very high	96.5	Very high	84 Å²	84	38.1 Å²	38.1	39%	0.393	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-46.5	174.8	-171.3	-176.5	-129.3	0	0	111	I151 S155 D157 L162 W163 A164	I151-E160 HydrophobicContact CG2-CG 3.87Å; S155-E160 WeakPolarHBondContact CB-OE2 3.46Å; S155-E160 PolarHBondContact OG-OE2 2.78Å; D157-E160 HydrophobicContact CB-CB 3.94Å; D157-E160 PolarHBondContact OD1-N 2.77Å; E160-L162 VanDerWaalsContact C-N 3.34Å; E160-L162 PolarHBondContact O-N 3.32Å; E160-W163 PolarHBondContact O-N 2.79Å; E160-A164 PolarHBondContact O-N 3.25Å
161	R	98	Very high	96.7	Very high	6 Å²	6	38.3 Å²	38.3	2%	0.023	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-40.7	174.5	-65.6	177	73.5	81.1	19.6	111.9	M152 S155 D157 W165 H265	M152-R161 PolarHBondContact O-NH1 3.46Å; M152-R161 PolarHBondContact O-NH2 3.12Å; M152-R161 HydrophobicContact SD-CB 4.16Å; S155-R161 WeakPolarHBondContact O-CD 3.46Å; S155-R161 PolarHBondContact O-NH1 3.11Å; D157-R161 WeakPolarHBondContact O-CB 3.41Å; D157-R161 WeakPolarHBondContact O-CG 3.2Å; D157-R161 PolarHBondContact O-N 2.72Å; R161-W165 WeakPolarHBondContact O-CB 3.29Å; R161-W165 PolarHBondContact O-N 3.38Å; R161-H265 VanDerWaalsContact CZ-O 3.32Å; R161-H265 PolarHBondContact NE-O 3Å; R161-H265 PolarHBondContact NH2-O 3.27Å
162	L	97.7	Very high	96.7	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-43.2	176.1	178.9	53.5	0	0	0	111.9	Y158 N159 E160 W165 E166 P490 V491 V691	Y158-L162 HydrophobicContact CE1-CD2 3.86Å; Y158-L162 WeakPolarHBondContact O-CB 3.36Å; Y158-L162 PolarHBondContact O-N 2.72Å; N159-L162 PolarHBondContact O-N 3.48Å; E160-L162 VanDerWaalsContact C-N 3.34Å; E160-L162 PolarHBondContact O-N 3.32Å; L162-W165 PolarHBondContact O-N 2.89Å; L162-E166 PolarHBondContact O-N 3.01Å; L162-P490 HydrophobicContact CD1-CB 3.53Å; L162-P490 HydrophobicContact CD1-CG 3.41Å; L162-P490 VanDerWaalsContact CD1-CG 3.41Å; L162-V491 HydrophobicContact CD1-CG2 4.25Å; L162-V691 HydrophobicContact CG-CG1 4.26Å
163	W	96.2	Very high	96.7	Very high	45 Å²	45	37.2 Å²	37.2	17%	0.17	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-50.2	173.9	162	68.4	0	0	0	112	V132 L142 L148 I151 N159 E160 W165 G167	V132-W163 HydrophobicContact CB-CZ2 4.48Å; V132-W163 HydrophobicContact CG1-CZ2 3.76Å; L142-W163 HydrophobicContact CD1-CH2 4.04Å; L142-W163 HydrophobicContact CD1-CZ3 4.34Å; L148-W163 HydrophobicContact CD2-CH2 4.24Å; L148-W163 HydrophobicContact CD2-CZ3 4.4Å; I151-W163 HydrophobicContact CD1-CZ3 3.88Å; N159-W163 WeakPolarHBondContact O-CB 3.39Å; N159-W163 PolarHBondContact O-N 3Å; E160-W163 PolarHBondContact O-N 2.79Å; W163-W165 VanDerWaalsContact C-N 3.31Å; W163-W165 PolarHBondContact O-N 3.45Å; W163-G167 WeakPolarHBondContact O-CA 3.25Å; W163-G167 PolarHBondContact O-N 3.26Å
164	A	97.1	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-41	179.7	0	0	0	0	0	111.8	L148 I151 M152 E160 W168	L148-A164 HydrophobicContact CD2-CB 4.02Å; I151-A164 HydrophobicContact CG2-CB 4.08Å; M152-A164 HydrophobicContact CG-CB 4.4Å; M152-A164 HydrophobicContact SD-CB 3.97Å; E160-A164 PolarHBondContact O-N 3.25Å; A164-W168 WeakPolarHBondContact O-CB 3.41Å; A164-W168 PolarHBondContact O-N 3.42Å
165	W	98.6	Very high	97.2	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-69.7	-45.2	-178.4	-175	100.4	0	0	0	113.7	M152 R161 L162 W163 R169 A264 H265 M270 W478 E489 P490 H493	M152-W165 HydrophobicContact CE-CB 4.04Å; M152-W165 HydrophobicContact CE-CG 4.4Å; M152-W165 HydrophobicContact SD-CB 4.42Å; R161-W165 WeakPolarHBondContact O-CB 3.29Å; R161-W165 PolarHBondContact O-N 3.38Å; L162-W165 PolarHBondContact O-N 2.89Å; W163-W165 VanDerWaalsContact C-N 3.31Å; W163-W165 PolarHBondContact O-N 3.45Å; W165-R169 VanDerWaalsContact CD1-NH1 3.3Å; W165-R169 VanDerWaalsContact CZ2-NE 3.34Å; W165-R169 WeakPolarHBondContact O-CD 3.34Å; W165-R169 PolarHBondContact O-NH1 2.85Å; W165-A264 HydrophobicContact CZ2-CB 3.7Å; W165-A264 PolarHBondContact NE1-O 3.11Å; W165-H265 HydrophobicContact CB-CB 3.61Å; W165-H265 HydrophobicContact CD2-CB 4.18Å; W165-H265 HydrophobicContact CG-CB 3.51Å; W165-M270 VanDerWaalsContact CD1-O 3.28Å; W165-W478 HydrophobicContact CH2-CH2 4.17Å; W165-W478 AromaticContact CH2-CZ2 3.8Å; W165-W478 HydrophobicContact CH2-CZ2 3.8Å; W165-W478 AromaticContact CZ2-CH2 3.8Å; W165-W478 HydrophobicContact CZ2-CH2 3.8Å; W165-W478 AromaticContact CZ2-CZ2 3.79Å; W165-W478 HydrophobicContact CZ2-CZ2 3.79Å; W165-E489 HydrophobicContact CH2-CB 4.42Å; W165-P490 HydrophobicContact CD2-CG 4.22Å; W165-P490 HydrophobicContact CE3-CG 3.66Å; W165-P490 HydrophobicContact CH2-CG 4.18Å; W165-P490 HydrophobicContact CZ3-CG 3.65Å; W165-H493 AromaticContact CH2-CE1 3.72Å; W165-H493 AromaticContact CZ3-CE1 3.51Å; W165-H493 AromaticContact CZ3-NE2 3.58Å
166	E	97.7	Very high	97.3	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.047	17%	0.17	C	C	.	.	H	α-helix	trans	-72.8	-45.6	176	162.4	64.1	158.2	0	0	110.3	L162 W168 R169 S170 H493 Y497 R671 V691	L162-E166 PolarHBondContact O-N 3.01Å; E166-W168 VanDerWaalsContact C-N 3.25Å; E166-W168 PolarHBondContact O-N 2.8Å; E166-R169 CarbonylContact O-C 3.58Å; E166-R169 WeakPolarHBondContact O-CA 3.34Å; E166-R169 PolarHBondContact O-N 3.18Å; E166-S170 PolarHBondContact O-N 2.97Å; E166-H493 IonicContact OE2-CE1 2.73Å; E166-H493 IonicContact OE2-NE2 2.73Å; E166-H493 PolarHBondContact OE2-NE2 2.95Å; E166-Y497 PolarHBondContact OE1-OH 2.97Å; E166-Y497 WeakPolarHBondContact OE2-CE1 3.36Å; E166-R671 IonicContact OE1-CZ 2.64Å; E166-R671 IonicContact OE1-NH1 2.77Å; E166-R671 PolarHBondContact OE1-NH1 3.34Å; E166-V691 HydrophobicContact CB-CG1 4.45Å; E166-V691 HydrophobicContact CG-CG1 4.37Å; E166-V691 HydrophobicContact CG-CG2 4.35Å
167	G	96.8	Very high	97.3	Very high	6 Å²	6	30.3 Å²	30.3	6%	0.062	15%	0.146	C	C	.	.	H	α-helix	trans	-57.5	-37.2	-178.9	0	0	0	0	0	113.1	V132 W163 R169 S170 E171	V132-G167 WeakPolarHBondContact CG2-O 3.49Å; W163-G167 WeakPolarHBondContact O-CA 3.25Å; W163-G167 PolarHBondContact O-N 3.26Å; G167-R169 VanDerWaalsContact C-N 3.31Å; G167-R169 PolarHBondContact O-N 3.01Å; G167-S170 PolarHBondContact O-OG 3.17Å; G167-E171 WeakPolarHBondContact O-CB 3.46Å; G167-E171 WeakPolarHBondContact O-CG 3.37Å; G167-E171 PolarHBondContact O-N 2.82Å
168	W	98.1	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-38	173.5	-172.2	-116.4	0	0	0	112.2	Y127 V132 L144 L148 A164 E166 V172 G173 M270 S502	Y127-W168 HydrophobicContact CD2-CZ2 4.1Å; Y127-W168 HydrophobicContact CE2-CZ2 4.15Å; Y127-W168 WeakPolarHBondContact O-CH2 3.43Å; V132-W168 HydrophobicContact CG2-CE3 4.2Å; L144-W168 HydrophobicContact CB-CE3 4.4Å; L144-W168 HydrophobicContact CB-CH2 3.68Å; L144-W168 HydrophobicContact CB-CZ2 4.08Å; L144-W168 HydrophobicContact CB-CZ3 3.83Å; L144-W168 HydrophobicContact CD1-CD2 4.23Å; L144-W168 HydrophobicContact CD1-CZ2 4.37Å; L144-W168 HydrophobicContact CD2-CH2 4.18Å; L144-W168 HydrophobicContact CD2-CZ2 3.75Å; L144-W168 HydrophobicContact CG-CH2 4.39Å; L144-W168 HydrophobicContact CG-CZ2 4.29Å; L148-W168 HydrophobicContact CD1-CD2 4.45Å; L148-W168 HydrophobicContact CD1-CE3 3.71Å; L148-W168 HydrophobicContact CD1-CZ3 4.36Å; A164-W168 WeakPolarHBondContact O-CB 3.41Å; A164-W168 PolarHBondContact O-N 3.42Å; E166-W168 VanDerWaalsContact C-N 3.25Å; E166-W168 PolarHBondContact O-N 2.8Å; W168-V172 HydrophobicContact CD2-CB 4.31Å; W168-V172 HydrophobicContact CD2-CG2 4.33Å; W168-V172 HydrophobicContact CE3-CB 4.31Å; W168-V172 HydrophobicContact CE3-CG2 3.83Å; W168-V172 HydrophobicContact CH2-CB 4.26Å; W168-V172 HydrophobicContact CH2-CG1 4.08Å; W168-V172 HydrophobicContact CH2-CG2 3.82Å; W168-V172 HydrophobicContact CZ2-CB 4.27Å; W168-V172 HydrophobicContact CZ2-CG1 3.91Å; W168-V172 HydrophobicContact CZ2-CG2 4.32Å; W168-V172 HydrophobicContact CZ3-CB 4.31Å; W168-V172 HydrophobicContact CZ3-CG2 3.57Å; W168-V172 WeakPolarHBondContact O-CB 3.46Å; W168-V172 PolarHBondContact O-N 3.5Å; W168-V172 VanDerWaalsContact O-N 3.09Å; W168-G173 PolarHBondContact O-N 3.33Å; W168-M270 HydrophobicContact CB-CE 3.82Å; W168-M270 HydrophobicContact CB-SD 3.82Å; W168-M270 HydrophobicContact CG-CE 4.07Å; W168-M270 HydrophobicContact CG-CG 4.4Å; W168-M270 HydrophobicContact CG-SD 4.03Å; W168-S502 PolarHBondContact NE1-O 2.89Å
169	R	98.4	Very high	97.4	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.026	15%	0.154	C	C	.	.	I	π-helix	trans	-80.6	-34.1	-177.9	-71.4	167.6	178.3	73.7	3.2	112.6	W165 E166 G167 G173 K174 M270 Y497	W165-R169 VanDerWaalsContact CD1-NH1 3.3Å; W165-R169 VanDerWaalsContact CZ2-NE 3.34Å; W165-R169 WeakPolarHBondContact O-CD 3.34Å; W165-R169 PolarHBondContact O-NH1 2.85Å; E166-R169 CarbonylContact O-C 3.58Å; E166-R169 WeakPolarHBondContact O-CA 3.34Å; E166-R169 PolarHBondContact O-N 3.18Å; G167-R169 VanDerWaalsContact C-N 3.31Å; G167-R169 PolarHBondContact O-N 3.01Å; R169-G173 VanDerWaalsContact O-CA 3.22Å; R169-G173 WeakPolarHBondContact O-CA 3.4Å; R169-G173 PolarHBondContact O-N 3.49Å; R169-K174 PolarHBondContact O-N 3.34Å; R169-M270 PolarHBondContact NH1-O 2.98Å; R169-M270 PolarHBondContact NH1-SD 2.88Å; R169-M270 VanDerWaalsContact NH1-SD 3.39Å; R169-M270 PolarHBondContact NH2-O 3.02Å; R169-Y497 HydrophobicContact CB-CD1 4.07Å; R169-Y497 HydrophobicContact CB-CE1 4.21Å
170	S	95.8	Very high	97.6	Very high	25 Å²	25	28 Å²	28	18%	0.175	14%	0.139	C	C	.	.	I	π-helix	trans	-69.9	-51.4	173.5	73.8	0	0	0	0	111.7	E166 G167 K174	E166-S170 PolarHBondContact O-N 2.97Å; G167-S170 PolarHBondContact O-OG 3.17Å; S170-K174 WeakPolarHBondContact O-CB 3.3Å; S170-K174 VanDerWaalsContact O-CG 3.25Å; S170-K174 WeakPolarHBondContact O-CG 3.3Å
171	E	95.9	Very high	97.7	Very high	101 Å²	101	26.1 Å²	26.1	47%	0.472	13%	0.13	S	C	.	.	I	π-helix	trans	-81.5	-39.3	-171.3	-57.4	-43.6	105.2	0	0	112.4	G167 Q175	G167-E171 WeakPolarHBondContact O-CB 3.46Å; G167-E171 WeakPolarHBondContact O-CG 3.37Å; G167-E171 PolarHBondContact O-N 2.82Å; E171-Q175 WeakPolarHBondContact O-CG 3.21Å; E171-Q175 PolarHBondContact O-NE2 2.69Å
172	V	96.4	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-102	-46.5	-176.2	178	0	0	0	0	111.5	I126 W168 K174 Q175 L176	I126-V172 HydrophobicContact CG2-CG1 3.76Å; W168-V172 HydrophobicContact CD2-CB 4.31Å; W168-V172 HydrophobicContact CD2-CG2 4.33Å; W168-V172 HydrophobicContact CE3-CB 4.31Å; W168-V172 HydrophobicContact CE3-CG2 3.83Å; W168-V172 HydrophobicContact CH2-CB 4.26Å; W168-V172 HydrophobicContact CH2-CG1 4.08Å; W168-V172 HydrophobicContact CH2-CG2 3.82Å; W168-V172 HydrophobicContact CZ2-CB 4.27Å; W168-V172 HydrophobicContact CZ2-CG1 3.91Å; W168-V172 HydrophobicContact CZ2-CG2 4.32Å; W168-V172 HydrophobicContact CZ3-CB 4.31Å; W168-V172 HydrophobicContact CZ3-CG2 3.57Å; W168-V172 WeakPolarHBondContact O-CB 3.46Å; W168-V172 PolarHBondContact O-N 3.5Å; W168-V172 VanDerWaalsContact O-N 3.09Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 2.87Å; V172-Q175 PolarHBondContact O-N 3.33Å; V172-Q175 VanDerWaalsContact O-N 3.13Å; V172-L176 HydrophobicContact CG1-CD1 3.92Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 3.33Å; V172-L176 VanDerWaalsContact O-N 3.1Å
173	G	97.4	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-56.3	-40.2	179.9	0	0	0	0	0	113.9	W168 R169 L176 R177 C498	W168-G173 PolarHBondContact O-N 3.33Å; R169-G173 VanDerWaalsContact O-CA 3.22Å; R169-G173 WeakPolarHBondContact O-CA 3.4Å; R169-G173 PolarHBondContact O-N 3.49Å; G173-L176 PolarHBondContact O-N 3.37Å; G173-R177 PolarHBondContact O-N 3.33Å; G173-R177 VanDerWaalsContact O-N 3.15Å; G173-C498 WeakPolarHBondContact O-CB 3.13Å
174	K	97.9	Very high	97.9	Very high	71 Å²	71	26.9 Å²	26.9	31%	0.309	14%	0.136	S	C	.	.	H	α-helix	trans	-71.8	-31.4	177.9	-57.6	-167.1	-178.6	-154.8	0	113.7	R169 S170 V172 L176 P178 T496 Y497	R169-K174 PolarHBondContact O-N 3.34Å; S170-K174 WeakPolarHBondContact O-CB 3.3Å; S170-K174 VanDerWaalsContact O-CG 3.25Å; S170-K174 WeakPolarHBondContact O-CG 3.3Å; V172-K174 VanDerWaalsContact C-N 3.31Å; V172-K174 PolarHBondContact O-N 2.87Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-P178 WeakPolarHBondContact O-CD 3.45Å; K174-T496 WeakPolarHBondContact CE-OG1 3.41Å; K174-T496 WeakPolarHBondContact CG-O 3.45Å; K174-T496 PolarHBondContact NZ-OG1 3.06Å; K174-Y497 VanDerWaalsContact CE-CE1 3.42Å; K174-Y497 HydrophobicContact CG-CD1 4.35Å; K174-Y497 HydrophobicContact CG-CG 4.43Å; K174-Y497 VanDerWaalsContact NZ-CZ 3.35Å
175	Q	98.3	Very high	97.9	Very high	107 Å²	107	30.5 Å²	30.5	50%	0.5	16%	0.158	S	C	.	.	H	α-helix	trans	-68.9	-34.9	172.8	-70.3	-174.5	73.4	0	0	111.8	I126 E171 V172	I126-Q175 HydrophobicContact CD1-CB 4.27Å; I126-Q175 HydrophobicContact CG2-CB 4.31Å; E171-Q175 WeakPolarHBondContact O-CG 3.21Å; E171-Q175 PolarHBondContact O-NE2 2.69Å; V172-Q175 PolarHBondContact O-N 3.33Å; V172-Q175 VanDerWaalsContact O-N 3.13Å
176	L	98.3	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-74.4	-25.8	178.1	-65.4	174.4	0	0	0	113.1	M123 I126 V172 G173 K174 L179 Y180 A501	M123-L176 HydrophobicContact CB-CD2 3.76Å; M123-L176 HydrophobicContact CG-CD2 3.74Å; I126-L176 HydrophobicContact CB-CD2 4.09Å; I126-L176 HydrophobicContact CG2-CD1 4.49Å; I126-L176 HydrophobicContact CG2-CD2 3.67Å; I126-L176 HydrophobicContact CG2-CG 3.89Å; V172-L176 HydrophobicContact CG1-CD1 3.92Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CG 3.04Å; V172-L176 PolarHBondContact O-N 3.33Å; V172-L176 VanDerWaalsContact O-N 3.1Å; G173-L176 PolarHBondContact O-N 3.37Å; K174-L176 VanDerWaalsContact C-N 3.34Å; L176-L179 HydrophobicContact CD2-CD1 4.5Å; L176-L179 PolarHBondContact O-N 3.35Å; L176-Y180 WeakPolarHBondContact O-CB 3.39Å; L176-Y180 PolarHBondContact O-N 3.22Å; L176-A501 HydrophobicContact CB-CB 3.89Å; L176-A501 HydrophobicContact CD1-CB 4.04Å; L176-A501 WeakPolarHBondContact CD1-O 3.46Å
177	R	98.6	Very high	97.9	Very high	14 Å²	14	31.1 Å²	31.1	5%	0.053	16%	0.161	C	C	.	.	H	α-helix	trans	-49.6	-59.1	-178.8	179.7	53.8	-174.7	-119	6.2	114.6	G173 L179 Y180 E181 K470 E495 Y497 C498	G173-R177 PolarHBondContact O-N 3.33Å; G173-R177 VanDerWaalsContact O-N 3.15Å; R177-L179 VanDerWaalsContact C-N 3.29Å; R177-L179 PolarHBondContact O-N 3.37Å; R177-Y180 PolarHBondContact O-N 3.05Å; R177-E181 IonicContact CZ-OE1 3.73Å; R177-E181 VanDerWaalsContact CZ-OE1 3.32Å; R177-E181 IonicContact NE-OE1 2.62Å; R177-E181 PolarHBondContact NE-OE1 3.47Å; R177-E181 IonicContact NH2-OE1 2.7Å; R177-E181 PolarHBondContact NH2-OE1 3.04Å; R177-E181 WeakPolarHBondContact O-CB 3.35Å; R177-E181 PolarHBondContact O-N 3.33Å; R177-E181 VanDerWaalsContact O-N 3.1Å; R177-K470 PolarHBondContact NH2-O 3.47Å; R177-E495 IonicContact CZ-OE2 2.86Å; R177-E495 PolarHBondContact NE-O 2.96Å; R177-E495 PolarHBondContact NH1-O 3.44Å; R177-E495 VanDerWaalsContact NH1-O 3.08Å; R177-E495 IonicContact NH1-OE2 3.46Å; R177-E495 PolarHBondContact NH1-OE2 3.09Å; R177-E495 IonicContact NH2-OE2 2.97Å; R177-E495 PolarHBondContact NH2-OE2 3.08Å; R177-Y497 WeakPolarHBondContact CD-O 3.36Å; R177-Y497 PolarHBondContact NH1-O 3.35Å; R177-C498 HydrophobicContact CB-CB 3.81Å; R177-C498 HydrophobicContact CG-CB 4.45Å
178	P	98.6	Very high	98	Very high	79 Å²	79	31.4 Å²	31.4	51%	0.513	16%	0.161	S	C	.	.	H	α-helix	trans	-67.2	-28.9	-179.8	27.1	-35.9	0	0	0	113.2	K174 E182	K174-P178 WeakPolarHBondContact O-CD 3.45Å; P178-E182 PolarHBondContact O-N 3.21Å
179	L	98.6	Very high	97.9	Very high	26 Å²	26	34.7 Å²	34.7	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-70.3	-48	178.3	-65.3	173.8	0	0	0	111.2	I119 T122 M123 I126 L176 R177 E181 E182 Y183	I119-L179 HydrophobicContact CG2-CB 4.16Å; I119-L179 HydrophobicContact CG2-CD2 4.48Å; T122-L179 HydrophobicContact CG2-CD1 3.68Å; T122-L179 HydrophobicContact CG2-CD2 4.39Å; M123-L179 HydrophobicContact CG-CB 3.72Å; M123-L179 HydrophobicContact CG-CD1 3.87Å; M123-L179 HydrophobicContact CG-CG 4.42Å; M123-L179 HydrophobicContact SD-CB 3.89Å; I126-L179 HydrophobicContact CD1-CD1 3.68Å; L176-L179 HydrophobicContact CD2-CD1 4.5Å; L176-L179 PolarHBondContact O-N 3.35Å; R177-L179 VanDerWaalsContact C-N 3.29Å; R177-L179 PolarHBondContact O-N 3.37Å; L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 PolarHBondContact O-N 3.36Å; L179-E182 PolarHBondContact O-N 3.37Å; L179-Y183 WeakPolarHBondContact O-CB 3.34Å; L179-Y183 PolarHBondContact O-N 3.17Å
180	Y	98.7	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-34.6	177.6	-157.7	-101.4	0	0	0	111.2	M123 L176 R177 E182 Y183 V184 W459 W473 A501 V506	M123-Y180 HydrophobicContact CE-CD2 4.49Å; M123-Y180 HydrophobicContact SD-CD2 4.15Å; L176-Y180 WeakPolarHBondContact O-CB 3.39Å; L176-Y180 PolarHBondContact O-N 3.22Å; R177-Y180 PolarHBondContact O-N 3.05Å; Y180-E182 VanDerWaalsContact C-N 3.33Å; Y180-E182 PolarHBondContact O-N 3.05Å; Y180-Y183 AromaticContact CD2-CD1 3.66Å; Y180-Y183 HydrophobicContact CD2-CD1 3.66Å; Y180-Y183 AromaticContact CD2-CE1 3.96Å; Y180-Y183 HydrophobicContact CD2-CE1 3.96Å; Y180-Y183 HydrophobicContact CD2-CG 4.43Å; Y180-Y183 HydrophobicContact CE1-CD1 4.5Å; Y180-Y183 HydrophobicContact CE1-CE1 4.47Å; Y180-Y183 AromaticContact CE2-CD1 3.57Å; Y180-Y183 HydrophobicContact CE2-CD1 3.57Å; Y180-Y183 AromaticContact CE2-CE1 3.35Å; Y180-Y183 HydrophobicContact CE2-CE1 3.35Å; Y180-Y183 HydrophobicContact CG-CD1 4.17Å; Y180-Y183 AromaticContact CZ-CE1 3.65Å; Y180-Y183 PolarHBondContact O-N 3.46Å; Y180-V184 HydrophobicContact CD1-CG2 3.96Å; Y180-V184 HydrophobicContact CE1-CG2 3.74Å; Y180-V184 WeakPolarHBondContact O-CG2 3.26Å; Y180-V184 PolarHBondContact O-N 3.39Å; Y180-W459 HydrophobicContact CE1-CH2 4.31Å; Y180-W459 HydrophobicContact CE1-CZ3 4.19Å; Y180-W473 AromaticContact CD1-CH2 3.84Å; Y180-W473 HydrophobicContact CD1-CH2 3.84Å; Y180-W473 AromaticContact CD1-CZ3 3.72Å; Y180-W473 HydrophobicContact CD1-CZ3 3.72Å; Y180-W473 HydrophobicContact CE1-CH2 4.46Å; Y180-A501 HydrophobicContact CD2-CB 4.4Å; Y180-A501 HydrophobicContact CG-CB 4.49Å; Y180-V506 HydrophobicContact CD2-CG1 4.33Å; Y180-V506 HydrophobicContact CE1-CG1 4.5Å; Y180-V506 HydrophobicContact CE2-CG1 3.54Å; Y180-V506 WeakPolarHBondContact CE2-O 3.25Å
181	E	98.7	Very high	97.7	Very high	44 Å²	44	33.4 Å²	33.4	21%	0.206	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-26.3	174.3	-92.2	-158.3	-148.2	0	0	115.7	R177 L179 K470 W473	R177-E181 IonicContact CZ-OE1 3.73Å; R177-E181 VanDerWaalsContact CZ-OE1 3.32Å; R177-E181 IonicContact NE-OE1 2.62Å; R177-E181 PolarHBondContact NE-OE1 3.47Å; R177-E181 IonicContact NH2-OE1 2.7Å; R177-E181 PolarHBondContact NH2-OE1 3.04Å; R177-E181 WeakPolarHBondContact O-CB 3.35Å; R177-E181 PolarHBondContact O-N 3.33Å; R177-E181 VanDerWaalsContact O-N 3.1Å; L179-E181 VanDerWaalsContact C-N 3.26Å; L179-E181 PolarHBondContact O-N 3.36Å; E181-K470 HydrophobicContact CG-CD 4.24Å; E181-K470 PolarHBondContact O-NZ 3.42Å; E181-K470 VanDerWaalsContact OE2-CD 3.27Å; E181-K470 WeakPolarHBondContact OE2-CD 3.49Å; E181-K470 VanDerWaalsContact OE2-CE 3.28Å; E181-K470 WeakPolarHBondContact OE2-CE 3.38Å; E181-K470 IonicContact OE2-NZ 3.62Å; E181-K470 PolarHBondContact OE2-NZ 2.95Å; E181-W473 HydrophobicContact CB-CH2 4.34Å; E181-W473 HydrophobicContact CB-CZ3 4.37Å; E181-W473 HydrophobicContact CG-CE3 4.13Å; E181-W473 HydrophobicContact CG-CH2 3.66Å; E181-W473 HydrophobicContact CG-CZ2 4.43Å; E181-W473 HydrophobicContact CG-CZ3 3.46Å; E181-W473 VanDerWaalsContact CG-CZ3 3.46Å
182	E	98.6	Very high	97.7	Very high	64 Å²	64	34.9 Å²	34.9	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-91.5	-38.5	173.4	-168.8	-179.6	160.4	0	0	111.2	R115 I119 P178 L179 Y180 V184 V185 L186	R115-E182 VanDerWaalsContact CG-OE1 3.23Å; R115-E182 WeakPolarHBondContact CG-OE1 3.47Å; R115-E182 IonicContact CZ-OE1 2.78Å; R115-E182 IonicContact CZ-OE2 3.21Å; R115-E182 IonicContact NE-OE1 3.41Å; R115-E182 PolarHBondContact NE-OE1 3.39Å; R115-E182 IonicContact NE-OE2 2.59Å; R115-E182 PolarHBondContact NE-OE2 3.49Å; R115-E182 IonicContact NH2-OE1 3.97Å; R115-E182 IonicContact NH2-OE2 2.85Å; R115-E182 PolarHBondContact NH2-OE2 3.04Å; I119-E182 HydrophobicContact CD1-CB 4.02Å; I119-E182 HydrophobicContact CD1-CG 3.79Å; P178-E182 PolarHBondContact O-N 3.21Å; L179-E182 PolarHBondContact O-N 3.37Å; Y180-E182 VanDerWaalsContact C-N 3.33Å; Y180-E182 PolarHBondContact O-N 3.05Å; E182-V184 PolarHBondContact O-N 3.24Å; E182-V185 WeakPolarHBondContact O-CB 3.3Å; E182-V185 PolarHBondContact O-N 2.66Å; E182-V185 VanDerWaalsContact O-N 3.12Å; E182-L186 HydrophobicContact CG-CD1 4.2Å; E182-L186 PolarHBondContact O-N 3.1Å
183	Y	98.6	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-52.2	-49.4	171.5	156.8	-89.2	0	0	0	112	L116 L120 M123 L179 Y180 V185 L186 K187 F464 D509	L116-Y183 HydrophobicContact CD1-CD2 4.19Å; L120-Y183 HydrophobicContact CD2-CD2 3.87Å; L120-Y183 HydrophobicContact CD2-CE2 3.82Å; M123-Y183 HydrophobicContact CE-CD2 3.94Å; M123-Y183 HydrophobicContact CE-CE2 4.49Å; M123-Y183 HydrophobicContact CE-CG 4.09Å; L179-Y183 WeakPolarHBondContact O-CB 3.34Å; L179-Y183 PolarHBondContact O-N 3.17Å; Y180-Y183 AromaticContact CD2-CD1 3.66Å; Y180-Y183 HydrophobicContact CD2-CD1 3.66Å; Y180-Y183 AromaticContact CD2-CE1 3.96Å; Y180-Y183 HydrophobicContact CD2-CE1 3.96Å; Y180-Y183 HydrophobicContact CD2-CG 4.43Å; Y180-Y183 HydrophobicContact CE1-CD1 4.5Å; Y180-Y183 HydrophobicContact CE1-CE1 4.47Å; Y180-Y183 AromaticContact CE2-CD1 3.57Å; Y180-Y183 HydrophobicContact CE2-CD1 3.57Å; Y180-Y183 AromaticContact CE2-CE1 3.35Å; Y180-Y183 HydrophobicContact CE2-CE1 3.35Å; Y180-Y183 HydrophobicContact CG-CD1 4.17Å; Y180-Y183 AromaticContact CZ-CE1 3.65Å; Y180-Y183 PolarHBondContact O-N 3.46Å; Y183-V185 PolarHBondContact O-N 2.85Å; Y183-L186 PolarHBondContact O-N 3.09Å; Y183-K187 HydrophobicContact CD2-CG 3.82Å; Y183-K187 HydrophobicContact CE1-CG 4.41Å; Y183-K187 HydrophobicContact CE2-CD 4.19Å; Y183-K187 VanDerWaalsContact CE2-CE 3.47Å; Y183-K187 HydrophobicContact CE2-CG 3.62Å; Y183-K187 HydrophobicContact CG-CG 4.32Å; Y183-K187 VanDerWaalsContact O-CB 3.28Å; Y183-K187 WeakPolarHBondContact O-CB 3.4Å; Y183-K187 WeakPolarHBondContact O-CG 3.48Å; Y183-K187 PolarHBondContact O-N 3.17Å; Y183-F464 HydrophobicContact CE1-CE1 4.04Å; Y183-F464 HydrophobicContact CE1-CZ 4Å; Y183-D509 HydrophobicContact CE2-CB 4.13Å; Y183-D509 WeakPolarHBondContact CE2-OD1 3.39Å; Y183-D509 PolarHBondContact OH-OD1 3.03Å
184	V	98.6	Very high	97	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.055	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-37.7	178.4	167.1	0	0	0	0	111.5	Y180 E182 N188 V463 F464 W473	Y180-V184 HydrophobicContact CD1-CG2 3.96Å; Y180-V184 HydrophobicContact CE1-CG2 3.74Å; Y180-V184 WeakPolarHBondContact O-CG2 3.26Å; Y180-V184 PolarHBondContact O-N 3.39Å; E182-V184 PolarHBondContact O-N 3.24Å; V184-N188 WeakPolarHBondContact O-CB 3.19Å; V184-N188 PolarHBondContact O-N 3.13Å; V184-N188 VanDerWaalsContact O-N 3.08Å; V184-N188 PolarHBondContact O-ND2 2.88Å; V184-V463 HydrophobicContact CG1-CG1 4.19Å; V184-V463 HydrophobicContact CG2-CG1 4.08Å; V184-F464 HydrophobicContact CB-CE1 4.44Å; V184-F464 HydrophobicContact CG1-CD1 4.13Å; V184-F464 HydrophobicContact CG1-CE1 4.45Å; V184-F464 HydrophobicContact CG2-CD1 4.3Å; V184-F464 HydrophobicContact CG2-CE1 3.88Å; V184-W473 HydrophobicContact CB-CH2 4.32Å; V184-W473 HydrophobicContact CB-CZ2 4.43Å; V184-W473 HydrophobicContact CG1-CZ2 4.43Å; V184-W473 HydrophobicContact CG2-CH2 3.83Å; V184-W473 HydrophobicContact CG2-CZ2 4.1Å
185	V	98.4	Very high	96.8	Very high	77 Å²	77	42.7 Å²	42.7	47%	0.467	21%	0.214	S	C	.	.	H	α-helix	trans	-69	-50.2	179	175.9	0	0	0	0	111	E182 Y183 N188 E189	E182-V185 WeakPolarHBondContact O-CB 3.3Å; E182-V185 PolarHBondContact O-N 2.66Å; E182-V185 VanDerWaalsContact O-N 3.12Å; Y183-V185 PolarHBondContact O-N 2.85Å; V185-N188 PolarHBondContact O-N 3.3Å; V185-E189 PolarHBondContact O-N 3.22Å
186	L	97.6	Very high	96.7	Very high	13 Å²	13	39 Å²	39	7%	0.068	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-39.4	-178.6	-67.9	172.6	0	0	0	112.4	K112 R115 L116 I119 E182 Y183 E189 M190	K112-L186 HydrophobicContact CB-CD2 4.2Å; K112-L186 HydrophobicContact CD-CD2 4.24Å; K112-L186 HydrophobicContact CG-CD2 4.14Å; R115-L186 HydrophobicContact CB-CD1 4.49Å; R115-L186 HydrophobicContact CG-CD1 4.08Å; L116-L186 HydrophobicContact CB-CD1 4.14Å; L116-L186 HydrophobicContact CD1-CB 4.2Å; I119-L186 HydrophobicContact CD1-CD1 3.78Å; E182-L186 HydrophobicContact CG-CD1 4.2Å; E182-L186 PolarHBondContact O-N 3.1Å; Y183-L186 PolarHBondContact O-N 3.09Å; L186-E189 PolarHBondContact O-N 3.05Å; L186-M190 WeakPolarHBondContact O-CB 3.4Å; L186-M190 PolarHBondContact O-N 3.29Å
187	K	97.6	Very high	96.6	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.043	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-41.9	174.9	-75.7	-65.9	-163.9	156.1	0	112.7	L116 Y183 E189 M190 A191 Y199 D509	L116-K187 HydrophobicContact CD1-CD 4.4Å; L116-K187 HydrophobicContact CD1-CG 4.3Å; L116-K187 HydrophobicContact CD2-CD 4.22Å; Y183-K187 HydrophobicContact CD2-CG 3.82Å; Y183-K187 HydrophobicContact CE1-CG 4.41Å; Y183-K187 HydrophobicContact CE2-CD 4.19Å; Y183-K187 VanDerWaalsContact CE2-CE 3.47Å; Y183-K187 HydrophobicContact CE2-CG 3.62Å; Y183-K187 HydrophobicContact CG-CG 4.32Å; Y183-K187 VanDerWaalsContact O-CB 3.28Å; Y183-K187 WeakPolarHBondContact O-CB 3.4Å; Y183-K187 WeakPolarHBondContact O-CG 3.48Å; Y183-K187 PolarHBondContact O-N 3.17Å; K187-E189 VanDerWaalsContact C-N 3.35Å; K187-M190 HydrophobicContact CD-CE 4.28Å; K187-M190 WeakPolarHBondContact O-CB 3.42Å; K187-M190 PolarHBondContact O-N 2.63Å; K187-A191 WeakPolarHBondContact O-CB 3.37Å; K187-A191 PolarHBondContact O-N 2.87Å; K187-Y199 HydrophobicContact CB-CD1 3.66Å; K187-Y199 HydrophobicContact CB-CD2 4.33Å; K187-Y199 HydrophobicContact CB-CE1 4.19Å; K187-Y199 HydrophobicContact CB-CG 3.75Å; K187-Y199 HydrophobicContact CD-CD1 3.94Å; K187-Y199 HydrophobicContact CD-CD2 4.33Å; K187-Y199 HydrophobicContact CD-CE1 3.56Å; K187-Y199 HydrophobicContact CD-CE2 4.05Å; K187-Y199 HydrophobicContact CD-CG 4.33Å; K187-Y199 HydrophobicContact CG-CD1 3.9Å; K187-Y199 HydrophobicContact CG-CE1 3.94Å; K187-Y199 HydrophobicContact CG-CG 4.39Å; K187-Y199 VanDerWaalsContact NZ-CZ 3.35Å; K187-Y199 PolarHBondContact NZ-OH 3.09Å; K187-D509 WeakPolarHBondContact CE-OD1 3.47Å; K187-D509 WeakPolarHBondContact CE-OD2 3.32Å; K187-D509 IonicContact NZ-OD1 2.64Å; K187-D509 PolarHBondContact NZ-OD1 2.87Å; K187-D509 IonicContact NZ-OD2 3.32Å; K187-D509 PolarHBondContact NZ-OD2 3.2Å
188	N	98.3	Very high	96.6	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-68.6	-31	175.1	-86.5	-24.7	0	0	0	113.2	V184 V185 R192 Y199 F464	V184-N188 WeakPolarHBondContact O-CB 3.19Å; V184-N188 PolarHBondContact O-N 3.13Å; V184-N188 VanDerWaalsContact O-N 3.08Å; V184-N188 PolarHBondContact O-ND2 2.88Å; V185-N188 PolarHBondContact O-N 3.3Å; N188-R192 WeakPolarHBondContact O-CG 3.46Å; N188-R192 VanDerWaalsContact O-CZ 3.29Å; N188-R192 PolarHBondContact O-N 2.82Å; N188-R192 PolarHBondContact O-NE 3.42Å; N188-R192 PolarHBondContact O-NH2 3.44Å; N188-Y199 PolarHBondContact OD1-N 3.43Å; N188-F464 PolarHBondContact ND2-O 3.31Å; N188-F464 PolarHBondContact OD1-O 2.95Å
189	E	97.3	Very high	96.6	Very high	68 Å²	68	40.2 Å²	40.2	32%	0.318	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-47.2	170	-171.5	177.5	151.4	0	0	111	L108 K112 V185 L186 K187 A191 R192 A193	L108-E189 HydrophobicContact CD2-CB 4.3Å; L108-E189 HydrophobicContact CD2-CG 4.13Å; K112-E189 WeakPolarHBondContact CD-OE1 3.39Å; K112-E189 IonicContact NZ-OE1 3.9Å; K112-E189 PolarHBondContact NZ-OE1 3.1Å; K112-E189 IonicContact NZ-OE2 2.65Å; K112-E189 PolarHBondContact NZ-OE2 2.91Å; V185-E189 PolarHBondContact O-N 3.22Å; L186-E189 PolarHBondContact O-N 3.05Å; K187-E189 VanDerWaalsContact C-N 3.35Å; E189-A191 PolarHBondContact O-N 3.36Å; E189-R192 PolarHBondContact O-N 3.21Å; E189-A193 WeakPolarHBondContact O-CB 3.36Å; E189-A193 PolarHBondContact O-N 3.15Å
190	M	94.3	Very high	96.6	Very high	6 Å²	6	39 Å²	39	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-47.2	176.2	-174.7	-84.3	-86.2	0	0	112.3	G104 V107 L108 L186 K187 A193 N194 Y199 Y202	G104-M190 VanDerWaalsContact O-CG 3.27Å; G104-M190 WeakPolarHBondContact O-CG 3.3Å; V107-M190 HydrophobicContact CG1-CG 4.3Å; L108-M190 HydrophobicContact CD1-CB 4.21Å; L108-M190 HydrophobicContact CD2-CB 4.13Å; L108-M190 HydrophobicContact CG-CB 4.13Å; L108-M190 HydrophobicContact CG-CG 4.41Å; L186-M190 WeakPolarHBondContact O-CB 3.4Å; L186-M190 PolarHBondContact O-N 3.29Å; K187-M190 HydrophobicContact CD-CE 4.28Å; K187-M190 WeakPolarHBondContact O-CB 3.42Å; K187-M190 PolarHBondContact O-N 2.63Å; M190-A193 PolarHBondContact O-N 3.28Å; M190-N194 PolarHBondContact O-N 3.43Å; M190-N194 VanDerWaalsContact O-N 3.08Å; M190-N194 PolarHBondContact O-ND2 3.49Å; M190-Y199 HydrophobicContact CE-CD2 4.18Å; M190-Y199 HydrophobicContact CE-CE2 3.62Å; M190-Y202 HydrophobicContact SD-CE2 4.47Å
191	A	95.4	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-47.6	179.8	0	0	0	0	0	112.4	K187 E189 A193 N194 H195 Y196 D198 Y199	K187-A191 WeakPolarHBondContact O-CB 3.37Å; K187-A191 PolarHBondContact O-N 2.87Å; E189-A191 PolarHBondContact O-N 3.36Å; A191-A193 VanDerWaalsContact C-N 3.35Å; A191-A193 PolarHBondContact O-N 3.46Å; A191-N194 CarbonylContact O-C 3.55Å; A191-N194 WeakPolarHBondContact O-CA 3.36Å; A191-N194 PolarHBondContact O-N 2.78Å; A191-H195 PolarHBondContact O-N 3.46Å; A191-Y196 PolarHBondContact O-N 3.31Å; A191-D198 WeakPolarHBondContact CB-O 3.34Å; A191-Y199 HydrophobicContact CB-CD2 4.21Å
192	R	96.4	Very high	96.4	Very high	132 Å²	132	39.5 Å²	39.5	50%	0.498	19%	0.188	S	C	.	.	H	α-helix	trans	-67	-33.7	179	-73.7	-175.9	-67	-104.3	0.4	113.3	N188 E189 N194 H195 Y196 K197	N188-R192 WeakPolarHBondContact O-CG 3.46Å; N188-R192 VanDerWaalsContact O-CZ 3.29Å; N188-R192 PolarHBondContact O-N 2.82Å; N188-R192 PolarHBondContact O-NE 3.42Å; N188-R192 PolarHBondContact O-NH2 3.44Å; E189-R192 PolarHBondContact O-N 3.21Å; R192-N194 PolarHBondContact O-N 3.22Å; R192-H195 PolarHBondContact O-N 2.82Å; R192-Y196 WeakPolarHBondContact CA-O 3.29Å; R192-Y196 WeakPolarHBondContact CG-O 3.45Å; R192-K197 WeakPolarHBondContact CG-O 3.45Å
193	A	90.6	Very high	96.3	Very high	42 Å²	42	37.6 Å²	37.6	35%	0.347	18%	0.178	S	C	.	.	H	α-helix	trans	-71.5	-19	173	0	0	0	0	0	113	V107 E189 M190 A191	V107-A193 HydrophobicContact CB-CB 4.29Å; V107-A193 HydrophobicContact CG1-CB 3.54Å; V107-A193 HydrophobicContact CG2-CB 3.73Å; E189-A193 WeakPolarHBondContact O-CB 3.36Å; E189-A193 PolarHBondContact O-N 3.15Å; M190-A193 PolarHBondContact O-N 3.28Å; A191-A193 VanDerWaalsContact C-N 3.35Å; A191-A193 PolarHBondContact O-N 3.46Å
194	N	87.8	Confident	96.3	Very high	15 Å²	15	38 Å²	38	8%	0.08	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	18.1	165.7	-71.7	-84.7	0	0	0	112.9	N103 G104 M190 A191 R192 Y196	N103-N194 PolarHBondContact N-OD1 3.27Å; N103-N194 VanDerWaalsContact N-OD1 3.15Å; G104-N194 PolarHBondContact N-OD1 3.3Å; G104-N194 PolarHBondContact O-ND2 2.83Å; M190-N194 PolarHBondContact O-N 3.43Å; M190-N194 VanDerWaalsContact O-N 3.08Å; M190-N194 PolarHBondContact O-ND2 3.49Å; A191-N194 CarbonylContact O-C 3.55Å; A191-N194 WeakPolarHBondContact O-CA 3.36Å; A191-N194 PolarHBondContact O-N 2.78Å; R192-N194 PolarHBondContact O-N 3.22Å; N194-Y196 VanDerWaalsContact C-N 3.3Å; N194-Y196 HydrophobicContact CB-CD2 4.05Å; N194-Y196 HydrophobicContact CB-CE2 4.37Å; N194-Y196 VanDerWaalsContact O-CD2 3.26Å; N194-Y196 WeakPolarHBondContact O-CD2 3.49Å; N194-Y196 PolarHBondContact O-N 3.4Å
195	H	93.1	Very high	96.1	Very high	177 Å²	177	38.3 Å²	38.3	82%	0.819	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	14.7	177.5	-49.6	-55.3	0	0	0	117.3	A191 R192	A191-H195 PolarHBondContact O-N 3.46Å; R192-H195 PolarHBondContact O-N 2.82Å
196	Y	95.9	Very high	95.9	Very high	29 Å²	29	36.9 Å²	36.9	11%	0.114	17%	0.174	C	C	.	.			trans	-84	159.1	168	-67.1	-90.4	0	0	0	111.5	Q102 A191 R192 N194 D201 Y202	Q102-Y196 PolarHBondContact NE2-OH 2.86Å; A191-Y196 PolarHBondContact O-N 3.31Å; R192-Y196 WeakPolarHBondContact CA-O 3.29Å; R192-Y196 WeakPolarHBondContact CG-O 3.45Å; N194-Y196 VanDerWaalsContact C-N 3.3Å; N194-Y196 HydrophobicContact CB-CD2 4.05Å; N194-Y196 HydrophobicContact CB-CE2 4.37Å; N194-Y196 VanDerWaalsContact O-CD2 3.26Å; N194-Y196 WeakPolarHBondContact O-CD2 3.49Å; N194-Y196 PolarHBondContact O-N 3.4Å; Y196-D201 VanDerWaalsContact CD1-O 3.31Å; Y196-D201 WeakPolarHBondContact CD1-O 3.42Å; Y196-Y202 AromaticContact CD2-CD2 3.77Å; Y196-Y202 HydrophobicContact CD2-CD2 3.77Å; Y196-Y202 AromaticContact CE2-CD2 3.8Å; Y196-Y202 HydrophobicContact CE2-CD2 3.8Å; Y196-Y202 HydrophobicContact CE2-CE2 4.38Å; Y196-Y202 HydrophobicContact CG-CD2 4.37Å
197	K	98	Very high	95.9	Very high	102 Å²	102	36.2 Å²	36.2	44%	0.443	17%	0.171	S	C	.	.	S	Bend	trans	-65.7	-45.8	179.7	-57.7	165.4	-165.2	174.8	0	111.9	R192 D201 D220	R192-K197 WeakPolarHBondContact CG-O 3.45Å; K197-D201 HydrophobicContact CB-CB 3.92Å; K197-D201 HydrophobicContact CD-CB 4.38Å; K197-D201 HydrophobicContact CG-CB 4.39Å; K197-D201 WeakPolarHBondContact CG-OD2 3.49Å; K197-D201 PolarHBondContact N-OD2 3.29Å; K197-D201 IonicContact NZ-OD1 3.23Å; K197-D220 IonicContact NZ-OD1 3.32Å; K197-D220 PolarHBondContact NZ-OD1 3.03Å; K197-D220 IonicContact NZ-OD2 2.9Å; K197-D220 PolarHBondContact NZ-OD2 3.34Å
198	D	98.4	Very high	95.8	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.032	18%	0.179	C	C	.	.	S	Bend	trans	-159.9	174.8	-172.5	59.7	75.9	0	0	0	109.3	A191 G200 D201 Y202 F464	A191-D198 WeakPolarHBondContact CB-O 3.34Å; D198-G200 VanDerWaalsContact C-N 3.32Å; D198-G200 PolarHBondContact O-N 3.35Å; D198-G200 VanDerWaalsContact OD1-CA 3.25Å; D198-G200 WeakPolarHBondContact OD1-CA 3.2Å; D198-G200 PolarHBondContact OD1-N 3.49Å; D198-D201 WeakPolarHBondContact O-CB 3.34Å; D198-D201 PolarHBondContact O-N 3.11Å; D198-D201 PolarHBondContact OD1-N 3.33Å; D198-Y202 PolarHBondContact O-N 2.94Å; D198-Y202 VanDerWaalsContact O-N 3.1Å; D198-F464 HydrophobicContact CB-CB 4.23Å
199	Y	98.3	Very high	95.6	Very high	11 Å²	11	37.9 Å²	37.9	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-73.4	-21.1	-177.5	-166.6	-128.3	0	0	0	114.3	K187 N188 M190 A191 Y202 W203 F464	K187-Y199 HydrophobicContact CB-CD1 3.66Å; K187-Y199 HydrophobicContact CB-CD2 4.33Å; K187-Y199 HydrophobicContact CB-CE1 4.19Å; K187-Y199 HydrophobicContact CB-CG 3.75Å; K187-Y199 HydrophobicContact CD-CD1 3.94Å; K187-Y199 HydrophobicContact CD-CD2 4.33Å; K187-Y199 HydrophobicContact CD-CE1 3.56Å; K187-Y199 HydrophobicContact CD-CE2 4.05Å; K187-Y199 HydrophobicContact CD-CG 4.33Å; K187-Y199 HydrophobicContact CG-CD1 3.9Å; K187-Y199 HydrophobicContact CG-CE1 3.94Å; K187-Y199 HydrophobicContact CG-CG 4.39Å; K187-Y199 VanDerWaalsContact NZ-CZ 3.35Å; K187-Y199 PolarHBondContact NZ-OH 3.09Å; N188-Y199 PolarHBondContact OD1-N 3.43Å; M190-Y199 HydrophobicContact CE-CD2 4.18Å; M190-Y199 HydrophobicContact CE-CE2 3.62Å; A191-Y199 HydrophobicContact CB-CD2 4.21Å; Y199-Y202 AromaticContact CD2-CD1 3.9Å; Y199-Y202 HydrophobicContact CD2-CD1 3.9Å; Y199-Y202 AromaticContact CD2-CG 3.98Å; Y199-Y202 HydrophobicContact CD2-CG 3.98Å; Y199-Y202 AromaticContact CE2-CD1 3.35Å; Y199-Y202 HydrophobicContact CE2-CD1 3.35Å; Y199-Y202 AromaticContact CE2-CE1 3.89Å; Y199-Y202 HydrophobicContact CE2-CE1 3.89Å; Y199-Y202 AromaticContact CE2-CG 3.87Å; Y199-Y202 HydrophobicContact CE2-CG 3.87Å; Y199-Y202 WeakPolarHBondContact O-CB 3.26Å; Y199-Y202 PolarHBondContact O-N 3.15Å; Y199-W203 HydrophobicContact CD1-CH2 4.36Å; Y199-W203 AromaticContact CD1-CZ2 3.93Å; Y199-W203 HydrophobicContact CD1-CZ2 3.93Å; Y199-W203 HydrophobicContact CE1-CD2 4.4Å; Y199-W203 AromaticContact CE1-CE2 3.46Å; Y199-W203 VanDerWaalsContact CE1-CE2 3.46Å; Y199-W203 HydrophobicContact CE1-CH2 4.13Å; Y199-W203 AromaticContact CE1-CZ2 3.31Å; Y199-W203 HydrophobicContact CE1-CZ2 3.31Å; Y199-W203 AromaticContact CE1-NE1 3.59Å; Y199-W203 AromaticContact CZ-CE2 3.75Å; Y199-W203 AromaticContact CZ-NE1 3.33Å; Y199-W203 VanDerWaalsContact CZ-NE1 3.33Å; Y199-W203 PolarHBondContact O-N 3.49Å; Y199-W203 PolarHBondContact OH-NE1 3.25Å; Y199-W203 VanDerWaalsContact OH-NE1 3.13Å; Y199-F464 HydrophobicContact CD1-CD1 4.42Å; Y199-F464 AromaticContact CD1-CE1 3.87Å; Y199-F464 HydrophobicContact CD1-CE1 3.87Å; Y199-F464 HydrophobicContact CD1-CE2 4.34Å; Y199-F464 AromaticContact CD1-CZ 3.83Å; Y199-F464 HydrophobicContact CD1-CZ 3.83Å; Y199-F464 HydrophobicContact CG-CE1 4.5Å
200	G	97.8	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.2	-41.7	167.4	0	0	0	0	0	111.2	D198 Y202 W203 R204	D198-G200 VanDerWaalsContact C-N 3.32Å; D198-G200 PolarHBondContact O-N 3.35Å; D198-G200 VanDerWaalsContact OD1-CA 3.25Å; D198-G200 WeakPolarHBondContact OD1-CA 3.2Å; D198-G200 PolarHBondContact OD1-N 3.49Å; G200-Y202 VanDerWaalsContact C-N 3.27Å; G200-Y202 PolarHBondContact O-N 3.43Å; G200-W203 PolarHBondContact O-N 2.83Å; G200-R204 WeakPolarHBondContact O-CG 3.19Å; G200-R204 PolarHBondContact O-N 3.33Å; G200-R204 PolarHBondContact O-NH1 3.09Å
201	D	98.3	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-34	173.5	-167.2	55.2	0	0	0	112.5	Y196 K197 D198 R204 G205 R219	Y196-D201 VanDerWaalsContact CD1-O 3.31Å; Y196-D201 WeakPolarHBondContact CD1-O 3.42Å; K197-D201 HydrophobicContact CB-CB 3.92Å; K197-D201 HydrophobicContact CD-CB 4.38Å; K197-D201 HydrophobicContact CG-CB 4.39Å; K197-D201 WeakPolarHBondContact CG-OD2 3.49Å; K197-D201 PolarHBondContact N-OD2 3.29Å; K197-D201 IonicContact NZ-OD1 3.23Å; D198-D201 WeakPolarHBondContact O-CB 3.34Å; D198-D201 PolarHBondContact O-N 3.11Å; D198-D201 PolarHBondContact OD1-N 3.33Å; D201-R204 VanDerWaalsContact CA-NH2 3.29Å; D201-R204 IonicContact OD1-NH2 2.72Å; D201-R204 PolarHBondContact OD1-NH2 3.19Å; D201-G205 PolarHBondContact O-N 3.45Å; D201-R219 VanDerWaalsContact CG-NE 3.32Å; D201-R219 VanDerWaalsContact O-CD 3.25Å; D201-R219 WeakPolarHBondContact O-CD 3.34Å; D201-R219 PolarHBondContact O-NE 2.92Å; D201-R219 IonicContact OD1-CZ 3.94Å; D201-R219 IonicContact OD1-NE 2.64Å; D201-R219 PolarHBondContact OD1-NE 3.36Å; D201-R219 IonicContact OD1-NH2 2.8Å; D201-R219 IonicContact OD2-CZ 3.33Å; D201-R219 IonicContact OD2-NE 3.17Å; D201-R219 PolarHBondContact OD2-NE 3.24Å; D201-R219 IonicContact OD2-NH2 2.92Å; D201-R219 PolarHBondContact OD2-NH2 3.4Å
202	Y	95.8	Very high	94.4	Very high	55 Å²	55	43.3 Å²	43.3	22%	0.216	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-50.5	170.3	178.1	-86	0	0	0	112.3	M190 Y196 D198 Y199 G200 R204 G205	M190-Y202 HydrophobicContact SD-CE2 4.47Å; Y196-Y202 AromaticContact CD2-CD2 3.77Å; Y196-Y202 HydrophobicContact CD2-CD2 3.77Å; Y196-Y202 AromaticContact CE2-CD2 3.8Å; Y196-Y202 HydrophobicContact CE2-CD2 3.8Å; Y196-Y202 HydrophobicContact CE2-CE2 4.38Å; Y196-Y202 HydrophobicContact CG-CD2 4.37Å; D198-Y202 PolarHBondContact O-N 2.94Å; D198-Y202 VanDerWaalsContact O-N 3.1Å; Y199-Y202 AromaticContact CD2-CD1 3.9Å; Y199-Y202 HydrophobicContact CD2-CD1 3.9Å; Y199-Y202 AromaticContact CD2-CG 3.98Å; Y199-Y202 HydrophobicContact CD2-CG 3.98Å; Y199-Y202 AromaticContact CE2-CD1 3.35Å; Y199-Y202 HydrophobicContact CE2-CD1 3.35Å; Y199-Y202 AromaticContact CE2-CE1 3.89Å; Y199-Y202 HydrophobicContact CE2-CE1 3.89Å; Y199-Y202 AromaticContact CE2-CG 3.87Å; Y199-Y202 HydrophobicContact CE2-CG 3.87Å; Y199-Y202 WeakPolarHBondContact O-CB 3.26Å; Y199-Y202 PolarHBondContact O-N 3.15Å; G200-Y202 VanDerWaalsContact C-N 3.27Å; G200-Y202 PolarHBondContact O-N 3.43Å; Y202-R204 PolarHBondContact O-N 3.19Å; Y202-G205 PolarHBondContact O-N 3.43Å; Y202-G205 VanDerWaalsContact O-N 3.12Å
203	W	96.6	Very high	94.1	Very high	24 Å²	24	44.6 Å²	44.6	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-40.4	178.5	-72.4	-28.3	0	0	0	113.2	Y199 G200 G205 D206 R460 F464	Y199-W203 HydrophobicContact CD1-CH2 4.36Å; Y199-W203 AromaticContact CD1-CZ2 3.93Å; Y199-W203 HydrophobicContact CD1-CZ2 3.93Å; Y199-W203 HydrophobicContact CE1-CD2 4.4Å; Y199-W203 AromaticContact CE1-CE2 3.46Å; Y199-W203 VanDerWaalsContact CE1-CE2 3.46Å; Y199-W203 HydrophobicContact CE1-CH2 4.13Å; Y199-W203 AromaticContact CE1-CZ2 3.31Å; Y199-W203 HydrophobicContact CE1-CZ2 3.31Å; Y199-W203 AromaticContact CE1-NE1 3.59Å; Y199-W203 AromaticContact CZ-CE2 3.75Å; Y199-W203 AromaticContact CZ-NE1 3.33Å; Y199-W203 VanDerWaalsContact CZ-NE1 3.33Å; Y199-W203 PolarHBondContact O-N 3.49Å; Y199-W203 PolarHBondContact OH-NE1 3.25Å; Y199-W203 VanDerWaalsContact OH-NE1 3.13Å; G200-W203 PolarHBondContact O-N 2.83Å; W203-G205 PolarHBondContact O-N 3.05Å; W203-G205 VanDerWaalsContact O-N 3.1Å; W203-D206 PolarHBondContact O-N 3.48Å; W203-D206 VanDerWaalsContact O-N 3.14Å; W203-R460 VanDerWaalsContact CH2-NH2 3.3Å; W203-F464 HydrophobicContact CE3-CE2 4.33Å; W203-F464 AromaticContact CH2-CE2 3.68Å; W203-F464 HydrophobicContact CH2-CE2 3.68Å; W203-F464 AromaticContact CH2-CZ 3.89Å; W203-F464 HydrophobicContact CH2-CZ 3.89Å; W203-F464 HydrophobicContact CZ3-CD2 4.4Å; W203-F464 AromaticContact CZ3-CE2 3.51Å; W203-F464 HydrophobicContact CZ3-CE2 3.51Å; W203-F464 HydrophobicContact CZ3-CZ 4.2Å
204	R	97.3	Very high	94.3	Very high	8 Å²	8	45.4 Å²	45.4	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-14.2	176.9	-63.3	-168.6	-55.3	-80.7	-7.3	112.8	G200 D201 Y202 D206 Y207 R219 L222 W461	G200-R204 WeakPolarHBondContact O-CG 3.19Å; G200-R204 PolarHBondContact O-N 3.33Å; G200-R204 PolarHBondContact O-NH1 3.09Å; D201-R204 VanDerWaalsContact CA-NH2 3.29Å; D201-R204 IonicContact OD1-NH2 2.72Å; D201-R204 PolarHBondContact OD1-NH2 3.19Å; Y202-R204 PolarHBondContact O-N 3.19Å; R204-D206 PolarHBondContact O-N 2.82Å; R204-Y207 PolarHBondContact O-N 2.94Å; R204-R219 HydrophobicContact CB-CB 4Å; R204-R219 VanDerWaalsContact CD-O 3.3Å; R204-R219 WeakPolarHBondContact CD-O 3.44Å; R204-R219 PolarHBondContact NE-O 3.04Å; R204-R219 VanDerWaalsContact NE-O 3.09Å; R204-L222 HydrophobicContact CB-CD2 4.1Å; R204-L222 HydrophobicContact CG-CD2 3.89Å; R204-W461 HydrophobicContact CG-CZ2 4.03Å
205	G	95.5	Very high	94.7	Very high	17 Å²	17	47.2 Å²	47.2	18%	0.175	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.9	-18.4	171.1	0	0	0	0	0	114.9	D201 Y202 W203 Y207 E208 R219	D201-G205 PolarHBondContact O-N 3.45Å; Y202-G205 PolarHBondContact O-N 3.43Å; Y202-G205 VanDerWaalsContact O-N 3.12Å; W203-G205 PolarHBondContact O-N 3.05Å; W203-G205 VanDerWaalsContact O-N 3.1Å; G205-Y207 PolarHBondContact O-N 3.34Å; G205-E208 WeakPolarHBondContact O-CB 3.15Å; G205-E208 PolarHBondContact O-N 3.3Å; G205-R219 VanDerWaalsContact CA-CD 3.43Å
206	D	94.8	Very high	94.8	Very high	46 Å²	46	42.9 Å²	42.9	25%	0.246	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-66.5	-26.2	176.3	-168	66	0	0	0	113.5	W203 R204 N397 E398 K562	W203-D206 PolarHBondContact O-N 3.48Å; W203-D206 VanDerWaalsContact O-N 3.14Å; R204-D206 PolarHBondContact O-N 2.82Å; D206-N397 WeakPolarHBondContact OD2-CA 3.47Å; D206-N397 WeakPolarHBondContact OD2-CB 3.24Å; D206-E398 PolarHBondContact OD2-N 3.33Å; D206-K562 IonicContact OD1-NZ 3.64Å; D206-K562 PolarHBondContact OD1-NZ 3.37Å; D206-K562 IonicContact OD2-NZ 2.77Å
207	Y	96.4	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-94.5	-0.4	178.3	-60.4	-100.5	0	0	0	112.4	R204 G205 Y217 L222 N397 E398 I513 T517 W566	R204-Y207 PolarHBondContact O-N 2.94Å; G205-Y207 PolarHBondContact O-N 3.34Å; Y207-Y217 VanDerWaalsContact O-CD1 3.28Å; Y207-Y217 WeakPolarHBondContact O-CD1 3.36Å; Y207-L222 HydrophobicContact CD1-CD1 4.17Å; Y207-L222 HydrophobicContact CD1-CD2 4.5Å; Y207-L222 HydrophobicContact CD2-CD2 3.46Å; Y207-L222 VanDerWaalsContact CD2-CD2 3.46Å; Y207-L222 HydrophobicContact CE1-CD1 4.36Å; Y207-L222 HydrophobicContact CE2-CD2 3.83Å; Y207-L222 HydrophobicContact CG-CD1 4.26Å; Y207-L222 HydrophobicContact CG-CD2 3.84Å; Y207-N397 HydrophobicContact CD1-CB 4.11Å; Y207-N397 WeakPolarHBondContact CD1-ND2 3.32Å; Y207-N397 HydrophobicContact CE1-CB 4.21Å; Y207-E398 HydrophobicContact CE2-CG 3.78Å; Y207-E398 VanDerWaalsContact OH-CG 3.27Å; Y207-E398 WeakPolarHBondContact OH-CG 3.38Å; Y207-E398 PolarHBondContact OH-OE1 3.08Å; Y207-E398 VanDerWaalsContact OH-OE1 3.07Å; Y207-I513 HydrophobicContact CE2-CG2 4.02Å; Y207-T517 HydrophobicContact CE1-CG2 3.77Å; Y207-T517 PolarHBondContact OH-OG1 3Å; Y207-W566 PolarHBondContact O-NE1 2.98Å
208	E	95.6	Very high	94.7	Very high	45 Å²	45	41.2 Å²	41.2	21%	0.21	24%	0.241	C	C	.	.			trans	-76	128.7	-174.9	-167.2	174.9	-179.4	0	0	111.9	G205 N210 Y217 R219	G205-E208 WeakPolarHBondContact O-CB 3.15Å; G205-E208 PolarHBondContact O-N 3.3Å; E208-N210 VanDerWaalsContact CD-ND2 3.34Å; E208-N210 WeakPolarHBondContact CG-ND2 3.49Å; E208-N210 PolarHBondContact OE1-ND2 2.94Å; E208-Y217 WeakPolarHBondContact CA-O 3.43Å; E208-R219 HydrophobicContact CB-CG 3.93Å; E208-R219 VanDerWaalsContact CD-NH1 3.27Å; E208-R219 HydrophobicContact CG-CG 4.02Å; E208-R219 IonicContact OE1-NH1 3.73Å; E208-R219 PolarHBondContact OE1-NH1 2.83Å; E208-R219 VanDerWaalsContact OE1-NH1 3.12Å; E208-R219 WeakPolarHBondContact OE2-CD 3Å; E208-R219 WeakPolarHBondContact OE2-CG 3.42Å; E208-R219 IonicContact OE2-CZ 3.52Å; E208-R219 IonicContact OE2-NE 3.09Å; E208-R219 IonicContact OE2-NH1 2.66Å; E208-R219 PolarHBondContact OE2-NH1 3.15Å
209	V	93.9	Very high	94.7	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.079	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-125.9	126.9	174.1	-179.9	0	0	0	0	107.6	V212 Y215 D216 Y217 P565	V209-V212 HydrophobicContact CG1-CB 4.45Å; V209-V212 HydrophobicContact CG1-CG2 4.39Å; V209-Y215 WeakPolarHBondContact CG1-O 3.26Å; V209-D216 CarbonylContact O-C 3.59Å; V209-D216 VanDerWaalsContact O-CA 3.32Å; V209-D216 WeakPolarHBondContact O-CA 3.37Å; V209-Y217 PolarHBondContact N-O 3.27Å; V209-Y217 PolarHBondContact O-N 2.83Å; V209-P565 HydrophobicContact CG1-CB 3.77Å; V209-P565 HydrophobicContact CG1-CG 3.9Å; V209-P565 HydrophobicContact CG2-CB 4.04Å
210	N	89.9	Confident	94.6	Very high	99 Å²	99	45.1 Å²	45.1	53%	0.529	26%	0.259	S	S	.	.			trans	-136.4	131.2	-177.2	-76.2	-52.4	0	0	0	111.5	E208 D216	E208-N210 VanDerWaalsContact CD-ND2 3.34Å; E208-N210 WeakPolarHBondContact CG-ND2 3.49Å; E208-N210 PolarHBondContact OE1-ND2 2.94Å; N210-D216 VanDerWaalsContact C-OD1 3.26Å; N210-D216 WeakPolarHBondContact CA-OD1 3.32Å
211	G	83.5	Confident	94.6	Very high	57 Å²	57	48.2 Å²	48.2	59%	0.588	27%	0.274	S	S	*	.	S	Bend	trans	82.2	28	173.2	0	0	0	0	0	114.4	D216	G211-D216 PolarHBondContact N-OD1 3.37Å
212	V	88.9	Confident	94.6	Very high	31 Å²	31	48.2 Å²	48.2	19%	0.188	27%	0.274	C	S	.	.	S	Bend	trans	-125.2	104.7	173.5	-169.3	0	0	0	0	109.6	L91 V209 G214 Y215 D216 P565	L91-V212 HydrophobicContact CD1-CG2 4.18Å; V209-V212 HydrophobicContact CG1-CB 4.45Å; V209-V212 HydrophobicContact CG1-CG2 4.39Å; V212-G214 PolarHBondContact O-N 2.97Å; V212-Y215 HydrophobicContact CG1-CD2 4Å; V212-Y215 HydrophobicContact CG1-CG 4.44Å; V212-Y215 PolarHBondContact O-N 3.1Å; V212-D216 PolarHBondContact N-OD1 3.34Å; V212-D216 PolarHBondContact O-N 2.8Å; V212-P565 HydrophobicContact CB-CG 4.19Å; V212-P565 HydrophobicContact CG1-CG 4.12Å; V212-P565 HydrophobicContact CG2-CG 3.94Å
213	D	90.5	Very high	94.7	Very high	159 Å²	159	47.8 Å²	47.8	85%	0.85	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	110.6	-170.1	-75.7	-25.8	0	0	0	113.2	Y215	D213-Y215 WeakPolarHBondContact O-CD2 3.43Å
214	G	93.1	Very high	94.7	Very high	59 Å²	59	52.1 Å²	52.1	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	15.4	178.3	0	0	0	0	0	115.5	V212 K577	V212-G214 PolarHBondContact O-N 2.97Å; G214-K577 WeakPolarHBondContact O-CD 3.49Å; G214-K577 PolarHBondContact O-NZ 3.34Å
215	Y	96	Very high	94.8	Very high	53 Å²	53	51.8 Å²	51.8	21%	0.208	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-6.9	174.5	-65.1	-85.4	0	0	0	114	V209 V212 D213 T567 L568 E571 K577	V209-Y215 WeakPolarHBondContact CG1-O 3.26Å; V212-Y215 HydrophobicContact CG1-CD2 4Å; V212-Y215 HydrophobicContact CG1-CG 4.44Å; V212-Y215 PolarHBondContact O-N 3.1Å; D213-Y215 WeakPolarHBondContact O-CD2 3.43Å; Y215-T567 WeakPolarHBondContact CB-OG1 3.47Å; Y215-T567 PolarHBondContact O-OG1 3.47Å; Y215-L568 HydrophobicContact CD1-CB 3.73Å; Y215-L568 HydrophobicContact CE1-CB 3.72Å; Y215-L568 HydrophobicContact CE1-CD1 3.73Å; Y215-L568 HydrophobicContact CE1-CG 4.26Å; Y215-L568 HydrophobicContact CG-CB 4.45Å; Y215-E571 WeakPolarHBondContact CE1-OE2 3.21Å; Y215-E571 PolarHBondContact OH-OE2 3.37Å; Y215-K577 HydrophobicContact CD1-CD 3.81Å; Y215-K577 HydrophobicContact CE1-CD 3.81Å; Y215-K577 HydrophobicContact CE1-CG 4.39Å; Y215-K577 PolarHBondContact OH-NZ 3.24Å
216	D	95.6	Very high	94.9	Very high	86 Å²	86	51 Å²	51	46%	0.46	29%	0.287	S	S	.	.			trans	-51.2	143.8	175.8	-67.4	-29.1	0	0	0	113.2	V209 N210 G211 V212	V209-D216 CarbonylContact O-C 3.59Å; V209-D216 VanDerWaalsContact O-CA 3.32Å; V209-D216 WeakPolarHBondContact O-CA 3.37Å; N210-D216 VanDerWaalsContact C-OD1 3.26Å; N210-D216 WeakPolarHBondContact CA-OD1 3.32Å; G211-D216 PolarHBondContact N-OD1 3.37Å; V212-D216 PolarHBondContact N-OD1 3.34Å; V212-D216 PolarHBondContact O-N 2.8Å
217	Y	97.4	Very high	95	Very high	11 Å²	11	52 Å²	52	4%	0.043	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-149.6	130.1	-176.6	-163.7	-89.4	0	0	0	111	Y207 E208 V209 Q221 L222 D225 W566 T567	Y207-Y217 VanDerWaalsContact O-CD1 3.28Å; Y207-Y217 WeakPolarHBondContact O-CD1 3.36Å; E208-Y217 WeakPolarHBondContact CA-O 3.43Å; V209-Y217 PolarHBondContact N-O 3.27Å; V209-Y217 PolarHBondContact O-N 2.83Å; Y217-Q221 HydrophobicContact CD2-CG 4.34Å; Y217-Q221 HydrophobicContact CE1-CB 4.17Å; Y217-Q221 HydrophobicContact CE1-CG 4.49Å; Y217-Q221 HydrophobicContact CE2-CB 4.32Å; Y217-Q221 HydrophobicContact CE2-CG 3.78Å; Y217-L222 HydrophobicContact CE1-CB 4.1Å; Y217-L222 WeakPolarHBondContact OH-CA 3.36Å; Y217-L222 PolarHBondContact OH-N 3.24Å; Y217-D225 WeakPolarHBondContact CE2-OD2 3.36Å; Y217-D225 WeakPolarHBondContact OH-CB 3.48Å; Y217-D225 VanDerWaalsContact OH-CG 3.28Å; Y217-D225 PolarHBondContact OH-OD2 3.2Å; Y217-W566 AromaticContact CD1-CZ2 3.8Å; Y217-W566 HydrophobicContact CD1-CZ2 3.8Å; Y217-W566 HydrophobicContact CD2-CH2 4.22Å; Y217-W566 AromaticContact CD2-CZ2 3.68Å; Y217-W566 HydrophobicContact CD2-CZ2 3.68Å; Y217-W566 AromaticContact CE1-CZ2 3.85Å; Y217-W566 HydrophobicContact CE1-CZ2 3.85Å; Y217-W566 HydrophobicContact CE2-CH2 4Å; Y217-W566 AromaticContact CE2-CZ2 3.74Å; Y217-W566 HydrophobicContact CE2-CZ2 3.74Å; Y217-W566 AromaticContact CG-CZ2 3.7Å; Y217-W566 HydrophobicContact CG-CZ2 3.7Å; Y217-W566 AromaticContact CZ-CZ2 3.81Å; Y217-T567 HydrophobicContact CD2-CG2 4.33Å
218	N	96.1	Very high	95.1	Very high	86 Å²	86	57.1 Å²	57.1	46%	0.46	31%	0.309	S	S	.	.			trans	-98.8	144	-172.3	-174.6	-32.1	0	0	0	111.7	D220 Q221 L222	N218-D220 PolarHBondContact O-N 3.05Å; N218-D220 PolarHBondContact OD1-N 2.64Å; N218-Q221 HydrophobicContact CB-CB 4.15Å; N218-Q221 WeakPolarHBondContact O-CA 3.37Å; N218-Q221 VanDerWaalsContact O-CB 3.23Å; N218-Q221 WeakPolarHBondContact O-CB 3.33Å; N218-Q221 PolarHBondContact O-N 3.04Å; N218-L222 PolarHBondContact O-N 3.36Å
219	R	96.8	Very high	95.3	Very high	39 Å²	39	55 Å²	55	15%	0.147	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.1	174.5	-55.5	-164.6	-60.5	-95.1	10.5	114.6	D201 R204 G205 E208	D201-R219 VanDerWaalsContact CG-NE 3.32Å; D201-R219 VanDerWaalsContact O-CD 3.25Å; D201-R219 WeakPolarHBondContact O-CD 3.34Å; D201-R219 PolarHBondContact O-NE 2.92Å; D201-R219 IonicContact OD1-CZ 3.94Å; D201-R219 IonicContact OD1-NE 2.64Å; D201-R219 PolarHBondContact OD1-NE 3.36Å; D201-R219 IonicContact OD1-NH2 2.8Å; D201-R219 IonicContact OD2-CZ 3.33Å; D201-R219 IonicContact OD2-NE 3.17Å; D201-R219 PolarHBondContact OD2-NE 3.24Å; D201-R219 IonicContact OD2-NH2 2.92Å; D201-R219 PolarHBondContact OD2-NH2 3.4Å; R204-R219 HydrophobicContact CB-CB 4Å; R204-R219 VanDerWaalsContact CD-O 3.3Å; R204-R219 WeakPolarHBondContact CD-O 3.44Å; R204-R219 PolarHBondContact NE-O 3.04Å; R204-R219 VanDerWaalsContact NE-O 3.09Å; G205-R219 VanDerWaalsContact CA-CD 3.43Å; E208-R219 HydrophobicContact CB-CG 3.93Å; E208-R219 VanDerWaalsContact CD-NH1 3.27Å; E208-R219 HydrophobicContact CG-CG 4.02Å; E208-R219 IonicContact OE1-NH1 3.73Å; E208-R219 PolarHBondContact OE1-NH1 2.83Å; E208-R219 VanDerWaalsContact OE1-NH1 3.12Å; E208-R219 WeakPolarHBondContact OE2-CD 3Å; E208-R219 WeakPolarHBondContact OE2-CG 3.42Å; E208-R219 IonicContact OE2-CZ 3.52Å; E208-R219 IonicContact OE2-NE 3.09Å; E208-R219 IonicContact OE2-NH1 2.66Å; E208-R219 PolarHBondContact OE2-NH1 3.15Å
220	D	96.1	Very high	95.5	Very high	59 Å²	59	54.7 Å²	54.7	32%	0.316	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-29.8	174.2	-64.3	-30.9	0	0	0	111.8	K197 N218 L222 I223 E224	K197-D220 IonicContact NZ-OD1 3.32Å; K197-D220 PolarHBondContact NZ-OD1 3.03Å; K197-D220 IonicContact NZ-OD2 2.9Å; K197-D220 PolarHBondContact NZ-OD2 3.34Å; N218-D220 PolarHBondContact O-N 3.05Å; N218-D220 PolarHBondContact OD1-N 2.64Å; D220-L222 PolarHBondContact O-N 2.99Å; D220-I223 WeakPolarHBondContact O-CB 3.32Å; D220-I223 PolarHBondContact O-N 3.2Å; D220-E224 PolarHBondContact O-N 3.29Å
221	Q	97.5	Very high	95.9	Very high	66 Å²	66	54.8 Å²	54.8	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-62.4	-31.3	177.7	-169.9	66.3	81.4	0	0	111.9	Y217 N218 I223 E224 D225	Y217-Q221 HydrophobicContact CD2-CG 4.34Å; Y217-Q221 HydrophobicContact CE1-CB 4.17Å; Y217-Q221 HydrophobicContact CE1-CG 4.49Å; Y217-Q221 HydrophobicContact CE2-CB 4.32Å; Y217-Q221 HydrophobicContact CE2-CG 3.78Å; N218-Q221 HydrophobicContact CB-CB 4.15Å; N218-Q221 WeakPolarHBondContact O-CA 3.37Å; N218-Q221 VanDerWaalsContact O-CB 3.23Å; N218-Q221 WeakPolarHBondContact O-CB 3.33Å; N218-Q221 PolarHBondContact O-N 3.04Å; Q221-I223 PolarHBondContact O-N 3.1Å; Q221-E224 PolarHBondContact NE2-OE2 2.98Å; Q221-E224 PolarHBondContact O-N 3.49Å; Q221-D225 WeakPolarHBondContact O-CB 3.02Å; Q221-D225 PolarHBondContact O-N 3.45Å
222	L	98.2	Very high	96.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-37.7	173.2	-179.1	59.6	0	0	0	112.3	R204 Y207 Y217 N218 D220 V226 T517 M579	R204-L222 HydrophobicContact CB-CD2 4.1Å; R204-L222 HydrophobicContact CG-CD2 3.89Å; Y207-L222 HydrophobicContact CD1-CD1 4.17Å; Y207-L222 HydrophobicContact CD1-CD2 4.5Å; Y207-L222 HydrophobicContact CD2-CD2 3.46Å; Y207-L222 VanDerWaalsContact CD2-CD2 3.46Å; Y207-L222 HydrophobicContact CE1-CD1 4.36Å; Y207-L222 HydrophobicContact CE2-CD2 3.83Å; Y207-L222 HydrophobicContact CG-CD1 4.26Å; Y207-L222 HydrophobicContact CG-CD2 3.84Å; Y217-L222 HydrophobicContact CE1-CB 4.1Å; Y217-L222 WeakPolarHBondContact OH-CA 3.36Å; Y217-L222 PolarHBondContact OH-N 3.24Å; N218-L222 PolarHBondContact O-N 3.36Å; D220-L222 PolarHBondContact O-N 2.99Å; L222-V226 HydrophobicContact CD1-CG2 4.03Å; L222-V226 HydrophobicContact CG-CG2 4.49Å; L222-V226 VanDerWaalsContact O-CB 3.31Å; L222-V226 WeakPolarHBondContact O-CB 3.22Å; L222-V226 WeakPolarHBondContact O-CG2 3.48Å; L222-V226 PolarHBondContact O-N 3.44Å; L222-T517 HydrophobicContact CD1-CG2 4.22Å; L222-M579 HydrophobicContact CD1-CE 3.72Å
223	I	97.9	Very high	97.1	Very high	45 Å²	45	54.1 Å²	54.1	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-49.9	178.3	-51	-178.3	0	0	0	109	D220 Q221 D225 V226 E227 W461	D220-I223 WeakPolarHBondContact O-CB 3.32Å; D220-I223 PolarHBondContact O-N 3.2Å; Q221-I223 PolarHBondContact O-N 3.1Å; I223-D225 PolarHBondContact O-N 2.9Å; I223-V226 PolarHBondContact O-N 3.35Å; I223-E227 HydrophobicContact CG2-CG 4.39Å; I223-E227 WeakPolarHBondContact O-CB 3.5Å; I223-E227 WeakPolarHBondContact O-CG 3.23Å; I223-E227 PolarHBondContact O-N 2.85Å; I223-W461 HydrophobicContact CB-CZ3 4.31Å; I223-W461 HydrophobicContact CD1-CE3 4.29Å; I223-W461 HydrophobicContact CG1-CE3 4.05Å; I223-W461 HydrophobicContact CG1-CZ3 3.82Å; I223-W461 HydrophobicContact CG2-CE3 4.49Å; I223-W461 HydrophobicContact CG2-CZ3 4.2Å
224	E	98.1	Very high	97.4	Very high	116 Å²	116	49.3 Å²	49.3	54%	0.542	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-40.2	179.6	-60.2	-177.8	178	0	0	113	D220 Q221 R228	D220-E224 PolarHBondContact O-N 3.29Å; Q221-E224 PolarHBondContact NE2-OE2 2.98Å; Q221-E224 PolarHBondContact O-N 3.49Å; E224-R228 VanDerWaalsContact O-CB 3.23Å; E224-R228 WeakPolarHBondContact O-CB 3.31Å; E224-R228 PolarHBondContact O-N 2.94Å
225	D	98.1	Very high	97.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-41.2	178	-84.9	-5.4	0	0	0	112	Y217 Q221 I223 R228 T229 M579	Y217-D225 WeakPolarHBondContact CE2-OD2 3.36Å; Y217-D225 WeakPolarHBondContact OH-CB 3.48Å; Y217-D225 VanDerWaalsContact OH-CG 3.28Å; Y217-D225 PolarHBondContact OH-OD2 3.2Å; Q221-D225 WeakPolarHBondContact O-CB 3.02Å; Q221-D225 PolarHBondContact O-N 3.45Å; I223-D225 PolarHBondContact O-N 2.9Å; D225-R228 IonicContact OD1-CZ 2.87Å; D225-R228 IonicContact OD1-NH1 3.35Å; D225-R228 PolarHBondContact OD1-NH1 3.47Å; D225-R228 IonicContact OD1-NH2 3.11Å; D225-R228 PolarHBondContact OD1-NH2 2.84Å; D225-T229 WeakPolarHBondContact O-CB 3.21Å; D225-T229 WeakPolarHBondContact O-CG2 3.42Å; D225-T229 PolarHBondContact O-N 3.19Å; D225-T229 PolarHBondContact O-OG1 3.36Å; D225-M579 HydrophobicContact CB-CE 4.28Å; D225-M579 HydrophobicContact CB-CG 4.24Å; D225-M579 HydrophobicContact CB-SD 4.05Å
226	V	98.4	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-47.9	174.9	167.2	0	0	0	0	110.6	L222 I223 T229 F230 Y454 I513 Y516 M579	L222-V226 HydrophobicContact CD1-CG2 4.03Å; L222-V226 HydrophobicContact CG-CG2 4.49Å; L222-V226 VanDerWaalsContact O-CB 3.31Å; L222-V226 WeakPolarHBondContact O-CB 3.22Å; L222-V226 WeakPolarHBondContact O-CG2 3.48Å; L222-V226 PolarHBondContact O-N 3.44Å; I223-V226 PolarHBondContact O-N 3.35Å; V226-T229 PolarHBondContact O-N 3.22Å; V226-T229 PolarHBondContact O-OG1 3.3Å; V226-T229 VanDerWaalsContact O-OG1 3.13Å; V226-F230 VanDerWaalsContact O-CB 3.31Å; V226-F230 WeakPolarHBondContact O-CB 3.48Å; V226-F230 PolarHBondContact O-N 3.46Å; V226-Y454 HydrophobicContact CG1-CD2 3.62Å; V226-Y454 HydrophobicContact CG1-CE2 4.18Å; V226-Y454 HydrophobicContact CG1-CG 4.45Å; V226-I513 HydrophobicContact CG1-CD1 4.15Å; V226-I513 HydrophobicContact CG2-CD1 4.06Å; V226-I513 HydrophobicContact CG2-CG1 4.35Å; V226-Y516 HydrophobicContact CB-CD1 4.5Å; V226-Y516 HydrophobicContact CB-CE1 4.16Å; V226-Y516 HydrophobicContact CG1-CD1 4.14Å; V226-Y516 HydrophobicContact CG1-CE1 3.92Å; V226-Y516 HydrophobicContact CG1-CE2 4.5Å; V226-Y516 HydrophobicContact CG2-CD1 3.91Å; V226-Y516 HydrophobicContact CG2-CE1 3.95Å; V226-Y516 PolarHBondContact O-OH 2.78Å; V226-M579 HydrophobicContact CG2-SD 4.49Å
227	E	97.9	Very high	98	Very high	68 Å²	68	42.9 Å²	42.9	32%	0.318	20%	0.204	S	C	.	.	H	α-helix	trans	-66.3	-40.8	-179.4	-68.3	-165.6	154	0	0	112.6	I223 F230 E231 Y454 K458	I223-E227 HydrophobicContact CG2-CG 4.39Å; I223-E227 WeakPolarHBondContact O-CB 3.5Å; I223-E227 WeakPolarHBondContact O-CG 3.23Å; I223-E227 PolarHBondContact O-N 2.85Å; E227-F230 PolarHBondContact O-N 2.79Å; E227-E231 PolarHBondContact O-N 3.36Å; E227-Y454 HydrophobicContact CG-CE2 3.82Å; E227-Y454 PolarHBondContact OE1-OH 3Å; E227-K458 WeakPolarHBondContact OE1-CE 3.33Å; E227-K458 IonicContact OE1-NZ 3.92Å; E227-K458 PolarHBondContact OE1-NZ 3.08Å
228	R	98.3	Very high	98.1	Very high	107 Å²	107	44.9 Å²	44.9	40%	0.404	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-50.3	174.3	-179.2	-175.6	67	-111.6	-2.3	111.6	E224 D225 F230 E231 E232	E224-R228 VanDerWaalsContact O-CB 3.23Å; E224-R228 WeakPolarHBondContact O-CB 3.31Å; E224-R228 PolarHBondContact O-N 2.94Å; D225-R228 IonicContact OD1-CZ 2.87Å; D225-R228 IonicContact OD1-NH1 3.35Å; D225-R228 PolarHBondContact OD1-NH1 3.47Å; D225-R228 IonicContact OD1-NH2 3.11Å; D225-R228 PolarHBondContact OD1-NH2 2.84Å; R228-F230 VanDerWaalsContact C-N 3.26Å; R228-F230 PolarHBondContact O-N 3.18Å; R228-E231 PolarHBondContact O-N 2.84Å; R228-E232 PolarHBondContact O-N 2.65Å
229	T	98.4	Very high	98.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-27	-178.3	52.3	0	0	0	0	112.3	D225 V226 E232 I233 Y516 L520 V581	D225-T229 WeakPolarHBondContact O-CB 3.21Å; D225-T229 WeakPolarHBondContact O-CG2 3.42Å; D225-T229 PolarHBondContact O-N 3.19Å; D225-T229 PolarHBondContact O-OG1 3.36Å; V226-T229 PolarHBondContact O-N 3.22Å; V226-T229 PolarHBondContact O-OG1 3.3Å; V226-T229 VanDerWaalsContact O-OG1 3.13Å; T229-E232 PolarHBondContact O-N 2.94Å; T229-I233 WeakPolarHBondContact O-CG1 3.49Å; T229-I233 PolarHBondContact O-N 3.13Å; T229-I233 VanDerWaalsContact O-N 3.08Å; T229-Y516 VanDerWaalsContact C-OH 3.31Å; T229-Y516 WeakPolarHBondContact OG1-CE1 3.37Å; T229-Y516 PolarHBondContact OG1-OH 3.04Å; T229-L520 HydrophobicContact CG2-CD2 3.79Å; T229-V581 HydrophobicContact CG2-CB 4.38Å; T229-V581 HydrophobicContact CG2-CG1 4.36Å
230	F	98.6	Very high	98.3	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.022	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-44.5	175.8	-179.8	-103.4	0	0	0	112.2	V226 E227 R228 E232 I233 K234 P451 Y454 I484 Y516	V226-F230 VanDerWaalsContact O-CB 3.31Å; V226-F230 WeakPolarHBondContact O-CB 3.48Å; V226-F230 PolarHBondContact O-N 3.46Å; E227-F230 PolarHBondContact O-N 2.79Å; R228-F230 VanDerWaalsContact C-N 3.26Å; R228-F230 PolarHBondContact O-N 3.18Å; F230-E232 PolarHBondContact O-N 3.29Å; F230-I233 WeakPolarHBondContact O-CB 3.41Å; F230-I233 PolarHBondContact O-N 2.85Å; F230-K234 WeakPolarHBondContact O-CB 3.4Å; F230-K234 PolarHBondContact O-N 3.44Å; F230-P451 HydrophobicContact CE2-CB 3.68Å; F230-P451 HydrophobicContact CE2-CG 3.82Å; F230-P451 HydrophobicContact CZ-CB 3.9Å; F230-P451 HydrophobicContact CZ-CG 4.27Å; F230-Y454 HydrophobicContact CB-CD1 4.2Å; F230-Y454 HydrophobicContact CB-CE1 4.32Å; F230-Y454 AromaticContact CD1-CD1 3.58Å; F230-Y454 HydrophobicContact CD1-CD1 3.58Å; F230-Y454 AromaticContact CD1-CE1 3.36Å; F230-Y454 HydrophobicContact CD1-CE1 3.36Å; F230-Y454 AromaticContact CD2-CD1 3.59Å; F230-Y454 HydrophobicContact CD2-CD1 3.59Å; F230-Y454 HydrophobicContact CD2-CE1 4.26Å; F230-Y454 HydrophobicContact CD2-CG 4.17Å; F230-Y454 AromaticContact CE1-CD1 3.8Å; F230-Y454 HydrophobicContact CE1-CD1 3.8Å; F230-Y454 AromaticContact CE1-CE1 3.68Å; F230-Y454 HydrophobicContact CE1-CE1 3.68Å; F230-Y454 AromaticContact CE2-CD1 3.84Å; F230-Y454 HydrophobicContact CE2-CD1 3.84Å; F230-Y454 AromaticContact CG-CD1 3.46Å; F230-Y454 HydrophobicContact CG-CD1 3.46Å; F230-Y454 VanDerWaalsContact CG-CD1 3.46Å; F230-Y454 AromaticContact CG-CE1 3.68Å; F230-Y454 HydrophobicContact CG-CE1 3.68Å; F230-Y454 HydrophobicContact CG-CG 4.16Å; F230-Y454 AromaticContact CZ-CD1 3.93Å; F230-Y454 HydrophobicContact CZ-CD1 3.93Å; F230-Y454 HydrophobicContact CZ-CE1 4.27Å; F230-I484 HydrophobicContact CE1-CG2 3.89Å; F230-I484 HydrophobicContact CZ-CG2 3.69Å; F230-Y516 WeakPolarHBondContact CA-OH 3.09Å; F230-Y516 HydrophobicContact CD2-CE2 4.46Å; F230-Y516 PolarHBondContact N-OH 3.1Å
231	E	98.5	Very high	98.4	Very high	102 Å²	102	38 Å²	38	48%	0.477	18%	0.178	S	C	.	.	H	α-helix	trans	-66.8	-23.7	175.2	-67.4	-67.7	130.5	0	0	112.5	E227 R228 K234 P235	E227-E231 PolarHBondContact O-N 3.36Å; R228-E231 PolarHBondContact O-N 2.84Å; E231-K234 WeakPolarHBondContact OE1-CD 3.44Å; E231-K234 IonicContact OE1-NZ 2.65Å; E231-K234 PolarHBondContact OE1-NZ 3.2Å; E231-K234 VanDerWaalsContact OE2-CD 3.28Å; E231-K234 WeakPolarHBondContact OE2-CD 3.44Å; E231-K234 IonicContact OE2-NZ 3.94Å; E231-K234 PolarHBondContact OE2-NZ 2.85Å; E231-P235 WeakPolarHBondContact O-CD 3.46Å
232	E	98.4	Very high	98.5	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.341	16%	0.164	S	C	.	.	H	α-helix	trans	-72.6	-32	168.3	-72.8	-177.6	-116.9	0	0	113	R228 T229 F230 V581	R228-E232 PolarHBondContact O-N 2.65Å; T229-E232 PolarHBondContact O-N 2.94Å; F230-E232 PolarHBondContact O-N 3.29Å; E232-V581 HydrophobicContact CB-CG1 3.62Å; E232-V581 HydrophobicContact CG-CG1 4.47Å
233	I	98.5	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-75.2	-37.8	175.4	-67.9	158.4	0	0	0	111.9	T229 F230 P235 L236 Y237 L450 Y516 L520 V581	T229-I233 WeakPolarHBondContact O-CG1 3.49Å; T229-I233 PolarHBondContact O-N 3.13Å; T229-I233 VanDerWaalsContact O-N 3.08Å; F230-I233 WeakPolarHBondContact O-CB 3.41Å; F230-I233 PolarHBondContact O-N 2.85Å; I233-P235 VanDerWaalsContact C-CD 3.46Å; I233-P235 VanDerWaalsContact O-N 3.15Å; I233-L236 WeakPolarHBondContact O-CB 3.46Å; I233-L236 PolarHBondContact O-N 3.2Å; I233-Y237 PolarHBondContact O-N 3.27Å; I233-L450 HydrophobicContact CD1-CD1 3.81Å; I233-L450 HydrophobicContact CD1-CD2 4.27Å; I233-L450 HydrophobicContact CD1-CG 4.42Å; I233-L450 HydrophobicContact CG1-CD1 4.44Å; I233-L450 HydrophobicContact CG2-CD1 4.25Å; I233-Y516 HydrophobicContact CD1-CE2 4.2Å; I233-L520 HydrophobicContact CD1-CD1 4.38Å; I233-V581 HydrophobicContact CD1-CG2 3.87Å; I233-V581 HydrophobicContact CG1-CG2 3.53Å
234	K	98.4	Very high	98.6	Very high	59 Å²	59	33.2 Å²	33.2	26%	0.257	16%	0.155	S	C	.	.	H	α-helix	trans	-48.5	-41.9	-167.8	-178	178.6	-176.6	177.5	0	115.4	F230 E231 L236 Y237 E238	F230-K234 WeakPolarHBondContact O-CB 3.4Å; F230-K234 PolarHBondContact O-N 3.44Å; E231-K234 WeakPolarHBondContact OE1-CD 3.44Å; E231-K234 IonicContact OE1-NZ 2.65Å; E231-K234 PolarHBondContact OE1-NZ 3.2Å; E231-K234 VanDerWaalsContact OE2-CD 3.28Å; E231-K234 WeakPolarHBondContact OE2-CD 3.44Å; E231-K234 IonicContact OE2-NZ 3.94Å; E231-K234 PolarHBondContact OE2-NZ 2.85Å; K234-L236 VanDerWaalsContact C-N 3.33Å; K234-L236 PolarHBondContact O-N 3.32Å; K234-Y237 PolarHBondContact O-N 3.19Å; K234-Y237 VanDerWaalsContact O-N 3.16Å; K234-E238 HydrophobicContact CG-CG 4.32Å; K234-E238 WeakPolarHBondContact CG-OE1 3.43Å; K234-E238 WeakPolarHBondContact O-CG 3.49Å; K234-E238 PolarHBondContact O-N 3.18Å
235	P	98.8	Very high	98.6	Very high	59 Å²	59	27.8 Å²	27.8	38%	0.383	13%	0.129	S	C	.	.	H	α-helix	trans	-62.2	-34.7	176.3	-25.2	36.8	0	0	0	114.2	E231 I233 H239 F592	E231-P235 WeakPolarHBondContact O-CD 3.46Å; I233-P235 VanDerWaalsContact C-CD 3.46Å; I233-P235 VanDerWaalsContact O-N 3.15Å; P235-H239 PolarHBondContact O-CD2 3.37Å; P235-H239 PolarHBondContact O-N 3Å; P235-F592 HydrophobicContact CB-CE2 4.49Å; P235-F592 HydrophobicContact CB-CZ 3.85Å; P235-F592 WeakPolarHBondContact O-CE2 3.45Å
236	L	98.9	Very high	98.6	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-42.5	174.4	174	60.3	0	0	0	110.5	I233 K234 H239 L240 V447 L584 L585 F588 F592	I233-L236 WeakPolarHBondContact O-CB 3.46Å; I233-L236 PolarHBondContact O-N 3.2Å; K234-L236 VanDerWaalsContact C-N 3.33Å; K234-L236 PolarHBondContact O-N 3.32Å; L236-H239 PolarHBondContact O-N 3.18Å; L236-L240 PolarHBondContact O-N 3.48Å; L236-V447 HydrophobicContact CD2-CG1 4.31Å; L236-V447 HydrophobicContact CD2-CG2 3.98Å; L236-V447 HydrophobicContact CG-CG1 4.17Å; L236-L584 HydrophobicContact CD2-CD2 4.3Å; L236-L585 HydrophobicContact CB-CD2 4.29Å; L236-L585 HydrophobicContact CD2-CD2 3.99Å; L236-F588 HydrophobicContact CD1-CB 4.47Å; L236-F588 HydrophobicContact CD2-CB 3.78Å; L236-F588 HydrophobicContact CD2-CD2 4.34Å; L236-F588 HydrophobicContact CD2-CG 4.27Å; L236-F592 HydrophobicContact CB-CD2 4.36Å; L236-F592 HydrophobicContact CB-CE2 4.35Å; L236-F592 HydrophobicContact CD1-CB 3.79Å; L236-F592 HydrophobicContact CD1-CD2 3.77Å; L236-F592 HydrophobicContact CD1-CG 3.85Å
237	Y	98.9	Very high	98.6	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-44.3	177.8	179.8	-106.3	0	0	0	113	I233 K234 H239 L240 H241 W275 V447 P451 V485 W606	I233-Y237 PolarHBondContact O-N 3.27Å; K234-Y237 PolarHBondContact O-N 3.19Å; K234-Y237 VanDerWaalsContact O-N 3.16Å; Y237-H239 VanDerWaalsContact C-N 3.28Å; Y237-H239 PolarHBondContact O-N 2.77Å; Y237-L240 PolarHBondContact O-N 3.46Å; Y237-L240 VanDerWaalsContact O-N 3.14Å; Y237-H241 HydrophobicContact CE1-CB 4.41Å; Y237-H241 VanDerWaalsContact O-CB 3.3Å; Y237-H241 WeakPolarHBondContact O-CB 3.45Å; Y237-H241 PolarHBondContact O-N 2.85Å; Y237-W275 AromaticContact CE2-CH2 3.51Å; Y237-W275 HydrophobicContact CE2-CH2 3.51Å; Y237-W275 HydrophobicContact CE2-CZ2 4.02Å; Y237-W275 AromaticContact CE2-CZ3 3.96Å; Y237-W275 HydrophobicContact CE2-CZ3 3.96Å; Y237-W275 AromaticContact CZ-CH2 3.6Å; Y237-W275 AromaticContact CZ-CZ2 3.98Å; Y237-W275 WeakPolarHBondContact OH-CH2 3.32Å; Y237-W275 WeakPolarHBondContact OH-CZ2 3.29Å; Y237-V447 HydrophobicContact CD2-CG1 4.32Å; Y237-P451 HydrophobicContact CD1-CB 4.48Å; Y237-P451 HydrophobicContact CD1-CG 3.62Å; Y237-P451 HydrophobicContact CD2-CG 3.61Å; Y237-P451 HydrophobicContact CE1-CB 4.22Å; Y237-P451 HydrophobicContact CE1-CG 3.68Å; Y237-P451 HydrophobicContact CE2-CG 3.68Å; Y237-P451 HydrophobicContact CG-CG 3.58Å; Y237-V485 PolarHBondContact OH-O 2.92Å; Y237-W606 AromaticContact CD1-CH2 3.86Å; Y237-W606 HydrophobicContact CD1-CH2 3.86Å; Y237-W606 HydrophobicContact CD1-CZ3 4.18Å; Y237-W606 AromaticContact CE1-CH2 3.66Å; Y237-W606 HydrophobicContact CE1-CH2 3.66Å; Y237-W606 AromaticContact CE1-CZ3 3.92Å; Y237-W606 HydrophobicContact CE1-CZ3 3.92Å
238	E	98.9	Very high	98.7	Very high	53 Å²	53	29.1 Å²	29.1	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-37.6	178.4	-74.9	176.7	-174.3	0	0	112.2	K234 A242 V604 W606	K234-E238 HydrophobicContact CG-CG 4.32Å; K234-E238 WeakPolarHBondContact CG-OE1 3.43Å; K234-E238 WeakPolarHBondContact O-CG 3.49Å; K234-E238 PolarHBondContact O-N 3.18Å; E238-A242 VanDerWaalsContact O-CB 3.28Å; E238-A242 WeakPolarHBondContact O-CB 3.39Å; E238-A242 PolarHBondContact O-N 3.32Å; E238-V604 HydrophobicContact CB-CG1 3.92Å; E238-W606 HydrophobicContact CG-CH2 4Å; E238-W606 HydrophobicContact CG-CZ3 3.89Å
239	H	98.9	Very high	98.6	Very high	37 Å²	37	27 Å²	27	17%	0.171	14%	0.136	C	C	.	.	H	α-helix	trans	-72.9	-34.3	174.9	-90.7	-72.3	0	0	0	113.4	P235 L236 Y237 Y243 F592 L595 N599	P235-H239 PolarHBondContact O-CD2 3.37Å; P235-H239 PolarHBondContact O-N 3Å; L236-H239 PolarHBondContact O-N 3.18Å; Y237-H239 VanDerWaalsContact C-N 3.28Å; Y237-H239 PolarHBondContact O-N 2.77Å; H239-Y243 WeakPolarHBondContact O-CB 3.37Å; H239-Y243 PolarHBondContact O-N 3.23Å; H239-F592 HydrophobicContact CB-CE2 4.37Å; H239-F592 AromaticContact CD2-CE2 3.81Å; H239-L595 HydrophobicContact CB-CB 4.11Å; H239-N599 PolarHBondContact ND1-ND2 3.1Å; H239-N599 PolarHBondContact O-ND2 2.91Å
240	L	98.9	Very high	98.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-67	-48.1	171.9	179.1	64.3	0	0	0	110.8	L236 Y237 A242 Y243 V244 W275 L440 A443 L444 V447 L595	L236-L240 PolarHBondContact O-N 3.48Å; Y237-L240 PolarHBondContact O-N 3.46Å; Y237-L240 VanDerWaalsContact O-N 3.14Å; L240-A242 PolarHBondContact O-N 3.42Å; L240-Y243 PolarHBondContact O-N 3.43Å; L240-V244 HydrophobicContact CD1-CG2 4.21Å; L240-V244 HydrophobicContact CG-CG2 4.44Å; L240-V244 WeakPolarHBondContact O-CB 3.42Å; L240-V244 VanDerWaalsContact O-CG2 3.29Å; L240-V244 WeakPolarHBondContact O-CG2 3.47Å; L240-V244 PolarHBondContact O-N 3.32Å; L240-W275 HydrophobicContact CD2-CZ3 4.49Å; L240-W275 HydrophobicContact CG-CZ3 4.31Å; L240-L440 HydrophobicContact CD1-CD1 3.59Å; L240-A443 HydrophobicContact CD1-CB 4.37Å; L240-A443 HydrophobicContact CD2-CB 4.17Å; L240-L444 HydrophobicContact CD1-CD2 4.39Å; L240-V447 HydrophobicContact CD2-CB 3.98Å; L240-V447 HydrophobicContact CD2-CG1 4.07Å; L240-L595 HydrophobicContact CB-CD1 4.28Å; L240-L595 HydrophobicContact CD1-CD1 4.47Å
241	H	98.9	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.3	-49.8	176.8	-177.9	-67.2	0	0	0	111.6	Y237 Y243 V244 R245 W275 G486 W606	Y237-H241 HydrophobicContact CE1-CB 4.41Å; Y237-H241 VanDerWaalsContact O-CB 3.3Å; Y237-H241 WeakPolarHBondContact O-CB 3.45Å; Y237-H241 PolarHBondContact O-N 2.85Å; H241-Y243 VanDerWaalsContact C-N 3.34Å; H241-Y243 PolarHBondContact O-N 3.3Å; H241-V244 PolarHBondContact O-N 3.25Å; H241-R245 VanDerWaalsContact O-CB 3.28Å; H241-R245 WeakPolarHBondContact O-CB 3.41Å; H241-R245 PolarHBondContact O-N 2.81Å; H241-W275 HydrophobicContact CB-CH2 4.28Å; H241-W275 AromaticContact CD2-CH2 3.98Å; H241-G486 PolarHBondContact NE2-O 3.36Å; H241-W606 HydrophobicContact CB-CE3 4.46Å; H241-W606 HydrophobicContact CB-CZ3 4.08Å; H241-W606 AromaticContact CD2-CE3 3.73Å; H241-W606 AromaticContact CD2-CZ3 3.74Å; H241-W606 AromaticContact CE1-CE3 3.68Å; H241-W606 AromaticContact CG-CE3 3.75Å; H241-W606 AromaticContact CG-CZ3 3.78Å; H241-W606 AromaticContact ND1-CE3 3.73Å; H241-W606 AromaticContact NE2-CE3 3.69Å
242	A	98.9	Very high	98.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-42.2	178.3	0	0	0	0	0	112.9	E238 L240 A246 N599 F603 V604	E238-A242 VanDerWaalsContact O-CB 3.28Å; E238-A242 WeakPolarHBondContact O-CB 3.39Å; E238-A242 PolarHBondContact O-N 3.32Å; L240-A242 PolarHBondContact O-N 3.42Å; A242-A246 WeakPolarHBondContact O-CB 3.28Å; A242-A246 PolarHBondContact O-N 3.21Å; A242-N599 VanDerWaalsContact CB-OD1 3.29Å; A242-N599 WeakPolarHBondContact CB-OD1 3.43Å; A242-F603 WeakPolarHBondContact CB-O 3.36Å; A242-V604 HydrophobicContact CB-CB 4.45Å; A242-V604 HydrophobicContact CB-CG2 4.09Å
243	Y	98.9	Very high	98.3	Very high	10 Å²	10	30.8 Å²	30.8	4%	0.039	17%	0.172	C	C	.	.	H	α-helix	trans	-67.9	-45.4	177	172.9	-93.8	0	0	0	112.1	H239 L240 H241 R245 A246 K247 T282 L440 W594 L595 Q598 N599	H239-Y243 WeakPolarHBondContact O-CB 3.37Å; H239-Y243 PolarHBondContact O-N 3.23Å; L240-Y243 PolarHBondContact O-N 3.43Å; H241-Y243 VanDerWaalsContact C-N 3.34Å; H241-Y243 PolarHBondContact O-N 3.3Å; Y243-R245 VanDerWaalsContact C-N 3.35Å; Y243-R245 PolarHBondContact O-N 2.97Å; Y243-A246 PolarHBondContact O-N 2.88Å; Y243-K247 HydrophobicContact CE1-CG 4.03Å; Y243-K247 HydrophobicContact CE2-CG 4.26Å; Y243-K247 WeakPolarHBondContact O-CG 3.39Å; Y243-K247 PolarHBondContact O-N 3.35Å; Y243-K247 WeakPolarHBondContact OH-CE 3.4Å; Y243-K247 PolarHBondContact OH-NZ 3.48Å; Y243-T282 VanDerWaalsContact CE1-O 3.26Å; Y243-T282 WeakPolarHBondContact CE1-O 2.93Å; Y243-T282 PolarHBondContact OH-O 3.25Å; Y243-L440 HydrophobicContact CD1-CD1 4.27Å; Y243-L440 HydrophobicContact CE1-CD1 4.15Å; Y243-L440 HydrophobicContact CE1-CD2 3.74Å; Y243-W594 HydrophobicContact CD2-CH2 4.3Å; Y243-W594 HydrophobicContact CD2-CZ3 4.1Å; Y243-W594 HydrophobicContact CE1-CZ3 4.41Å; Y243-W594 AromaticContact CE2-CH2 3.45Å; Y243-W594 HydrophobicContact CE2-CH2 3.45Å; Y243-W594 VanDerWaalsContact CE2-CH2 3.45Å; Y243-W594 AromaticContact CE2-CZ3 3.64Å; Y243-W594 HydrophobicContact CE2-CZ3 3.64Å; Y243-W594 AromaticContact CZ-CH2 3.65Å; Y243-W594 AromaticContact CZ-CZ3 3.82Å; Y243-L595 HydrophobicContact CD1-CD2 3.96Å; Y243-L595 HydrophobicContact CD2-CD2 4.09Å; Y243-L595 HydrophobicContact CG-CD2 3.59Å; Y243-Q598 HydrophobicContact CD2-CB 4.32Å; Y243-N599 PolarHBondContact N-OD1 3.22Å
244	V	98.8	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-44.6	175.8	169.4	0	0	0	0	110.5	L240 H241 K247 L248 L262 W275 L278 T282 L444	L240-V244 HydrophobicContact CD1-CG2 4.21Å; L240-V244 HydrophobicContact CG-CG2 4.44Å; L240-V244 WeakPolarHBondContact O-CB 3.42Å; L240-V244 VanDerWaalsContact O-CG2 3.29Å; L240-V244 WeakPolarHBondContact O-CG2 3.47Å; L240-V244 PolarHBondContact O-N 3.32Å; H241-V244 PolarHBondContact O-N 3.25Å; V244-K247 PolarHBondContact O-N 2.83Å; V244-L248 HydrophobicContact CG1-CD1 3.77Å; V244-L248 HydrophobicContact CG1-CG 4.15Å; V244-L248 WeakPolarHBondContact O-CB 3.46Å; V244-L248 VanDerWaalsContact O-CG 3.31Å; V244-L248 WeakPolarHBondContact O-CG 3.47Å; V244-L248 PolarHBondContact O-N 3.34Å; V244-L262 HydrophobicContact CG1-CD1 4.22Å; V244-W275 HydrophobicContact CB-CZ3 4.34Å; V244-W275 HydrophobicContact CG1-CE3 4.36Å; V244-W275 HydrophobicContact CG1-CZ3 4.42Å; V244-W275 HydrophobicContact CG2-CE3 4.11Å; V244-W275 HydrophobicContact CG2-CZ3 4.19Å; V244-L278 HydrophobicContact CG1-CD1 3.87Å; V244-T282 HydrophobicContact CB-CG2 4.42Å; V244-T282 HydrophobicContact CG1-CG2 4.2Å; V244-T282 HydrophobicContact CG2-CG2 4.14Å; V244-L444 HydrophobicContact CG2-CD2 3.78Å
245	R	98.8	Very high	97.9	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-49.9	174	-177.2	172.4	62.1	-150	-9.9	111.9	H241 Y243 K247 L248 M249 I256 S257 P258 G260 L262 F603 G605	H241-R245 VanDerWaalsContact O-CB 3.28Å; H241-R245 WeakPolarHBondContact O-CB 3.41Å; H241-R245 PolarHBondContact O-N 2.81Å; Y243-R245 VanDerWaalsContact C-N 3.35Å; Y243-R245 PolarHBondContact O-N 2.97Å; R245-K247 VanDerWaalsContact C-N 3.27Å; R245-K247 PolarHBondContact O-N 3.39Å; R245-L248 PolarHBondContact O-N 3.18Å; R245-M249 VanDerWaalsContact O-CG 3.29Å; R245-M249 WeakPolarHBondContact O-CG 3.33Å; R245-M249 PolarHBondContact O-N 3.3Å; R245-I256 HydrophobicContact CG-CG2 3.88Å; R245-S257 WeakPolarHBondContact CD-O 3.12Å; R245-P258 PolarHBondContact NE-O 3.01Å; R245-G260 WeakPolarHBondContact CD-O 3.26Å; R245-G260 PolarHBondContact NH1-O 2.79Å; R245-L262 HydrophobicContact CB-CD2 3.78Å; R245-L262 HydrophobicContact CG-CD2 4Å; R245-F603 PolarHBondContact NH2-O 3.17Å; R245-G605 VanDerWaalsContact CZ-O 3.29Å; R245-G605 PolarHBondContact NH1-O 2.93Å; R245-G605 PolarHBondContact NH2-O 3.18Å
246	A	98.4	Very high	97.8	Very high	35 Å²	35	36.9 Å²	36.9	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-32.8	178.4	0	0	0	0	0	113	A242 Y243 N250	A242-A246 WeakPolarHBondContact O-CB 3.28Å; A242-A246 PolarHBondContact O-N 3.21Å; Y243-A246 PolarHBondContact O-N 2.88Å; A246-N250 PolarHBondContact O-ND2 2.91Å
247	K	98.4	Very high	97.7	Very high	61 Å²	61	37.7 Å²	37.7	27%	0.265	21%	0.213	S	C	.	.	H	α-helix	trans	-73.3	-50.3	173.1	-75.2	-82.6	175	142.6	0	111.9	Y243 V244 R245 M249 N250 T282 V283	Y243-K247 HydrophobicContact CE1-CG 4.03Å; Y243-K247 HydrophobicContact CE2-CG 4.26Å; Y243-K247 WeakPolarHBondContact O-CG 3.39Å; Y243-K247 PolarHBondContact O-N 3.35Å; Y243-K247 WeakPolarHBondContact OH-CE 3.4Å; Y243-K247 PolarHBondContact OH-NZ 3.48Å; V244-K247 PolarHBondContact O-N 2.83Å; R245-K247 VanDerWaalsContact C-N 3.27Å; R245-K247 PolarHBondContact O-N 3.39Å; K247-M249 VanDerWaalsContact C-N 3.27Å; K247-M249 PolarHBondContact O-N 2.9Å; K247-N250 WeakPolarHBondContact O-CB 3.45Å; K247-N250 PolarHBondContact O-N 3.03Å; K247-N250 PolarHBondContact O-ND2 3.19Å; K247-T282 HydrophobicContact CB-CG2 3.99Å; K247-V283 PolarHBondContact NZ-O 3.35Å
248	L	98.4	Very high	97.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-30.8	180	-71.4	177.4	0	0	0	113.2	V244 R245 N250 A251 Y252 I256 L262 L278 L281	V244-L248 HydrophobicContact CG1-CD1 3.77Å; V244-L248 HydrophobicContact CG1-CG 4.15Å; V244-L248 WeakPolarHBondContact O-CB 3.46Å; V244-L248 VanDerWaalsContact O-CG 3.31Å; V244-L248 WeakPolarHBondContact O-CG 3.47Å; V244-L248 PolarHBondContact O-N 3.34Å; R245-L248 PolarHBondContact O-N 3.18Å; L248-N250 PolarHBondContact O-N 3.26Å; L248-N250 VanDerWaalsContact O-N 3.14Å; L248-A251 PolarHBondContact O-N 2.75Å; L248-Y252 HydrophobicContact CD2-CD2 4.27Å; L248-Y252 HydrophobicContact CD2-CE2 4.09Å; L248-Y252 PolarHBondContact O-N 2.67Å; L248-I256 HydrophobicContact CB-CD1 3.61Å; L248-L262 HydrophobicContact CD1-CD2 3.98Å; L248-L278 HydrophobicContact CD1-CD1 4.22Å; L248-L278 HydrophobicContact CD2-CD2 4.41Å; L248-L281 HydrophobicContact CD2-CB 4.43Å; L248-L281 HydrophobicContact CD2-CD1 3.78Å
249	M	98	Very high	97.6	Very high	63 Å²	63	41.5 Å²	41.5	31%	0.31	24%	0.242	S	C	.	.	H	α-helix	trans	-57.2	-23.6	172.5	-77.6	172.9	66.2	0	0	114.1	R245 K247 P253 I256 P258	R245-M249 VanDerWaalsContact O-CG 3.29Å; R245-M249 WeakPolarHBondContact O-CG 3.33Å; R245-M249 PolarHBondContact O-N 3.3Å; K247-M249 VanDerWaalsContact C-N 3.27Å; K247-M249 PolarHBondContact O-N 2.9Å; M249-P253 WeakPolarHBondContact O-CA 3.43Å; M249-I256 HydrophobicContact CG-CB 3.94Å; M249-I256 HydrophobicContact CG-CG2 3.82Å; M249-P258 HydrophobicContact CE-CB 3.9Å; M249-P258 HydrophobicContact CE-CG 4.5Å; M249-P258 HydrophobicContact SD-CB 4.02Å
250	N	97.3	Very high	97.5	Very high	127 Å²	127	39.8 Å²	39.8	68%	0.679	23%	0.234	S	C	*	.	H	α-helix	trans	-84.5	-28.7	175.7	-49	-79.6	0	0	0	112.3	A246 K247 L248	A246-N250 PolarHBondContact O-ND2 2.91Å; K247-N250 WeakPolarHBondContact O-CB 3.45Å; K247-N250 PolarHBondContact O-N 3.03Å; K247-N250 PolarHBondContact O-ND2 3.19Å; L248-N250 PolarHBondContact O-N 3.26Å; L248-N250 VanDerWaalsContact O-N 3.14Å
251	A	97.1	Very high	97.5	Very high	43 Å²	43	39.7 Å²	39.7	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-80.7	-37.5	176.1	0	0	0	0	0	111.7	L248 P253 L281	L248-A251 PolarHBondContact O-N 2.75Å; A251-P253 VanDerWaalsContact C-CD 3.41Å; A251-P253 VanDerWaalsContact O-CD 3.31Å; A251-P253 WeakPolarHBondContact O-CD 3.41Å; A251-L281 HydrophobicContact CB-CD1 4.23Å; A251-L281 HydrophobicContact CB-CD2 4.22Å
252	Y	97.5	Very high	97.5	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.035	23%	0.234	C	C	.	.	S	Bend	trans	-122	66.3	-178	-56.6	-76.7	0	0	0	110.5	L156 Y158 L248 Y255 I256 L266 L281	L156-Y252 WeakPolarHBondContact O-CE1 3.3Å; Y158-Y252 HydrophobicContact CD2-CD1 4.31Å; L248-Y252 HydrophobicContact CD2-CD2 4.27Å; L248-Y252 HydrophobicContact CD2-CE2 4.09Å; L248-Y252 PolarHBondContact O-N 2.67Å; Y252-Y255 PolarHBondContact O-N 2.72Å; Y252-I256 HydrophobicContact CD2-CD1 4.44Å; Y252-L266 HydrophobicContact CD1-CD1 4.34Å; Y252-L266 HydrophobicContact CD1-CD2 4.16Å; Y252-L266 HydrophobicContact CD2-CD1 3.96Å; Y252-L266 HydrophobicContact CD2-CD2 4.46Å; Y252-L266 HydrophobicContact CE1-CD2 3.8Å; Y252-L266 HydrophobicContact CE2-CB 4.49Å; Y252-L266 HydrophobicContact CE2-CD1 4.37Å; Y252-L266 HydrophobicContact CE2-CD2 4.13Å; Y252-L266 HydrophobicContact CG-CD1 3.94Å; Y252-L266 HydrophobicContact CG-CD2 4.47Å; Y252-L281 HydrophobicContact CE2-CD1 4.23Å
253	P	94.5	Very high	97.5	Very high	80 Å²	80	39.7 Å²	39.7	52%	0.519	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	144.8	179.7	26.6	-35.3	0	0	0	111.1	M249 A251 Y255	M249-P253 WeakPolarHBondContact O-CA 3.43Å; A251-P253 VanDerWaalsContact C-CD 3.41Å; A251-P253 VanDerWaalsContact O-CD 3.31Å; A251-P253 WeakPolarHBondContact O-CD 3.41Å; P253-Y255 WeakPolarHBondContact O-CD2 3.5Å; P253-Y255 PolarHBondContact O-N 3.1Å
254	S	92.3	Very high	97.5	Very high	136 Å²	136	39.3 Å²	39.3	95%	0.951	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	-17.6	-175.6	-52.4	0	0	0	0	117
255	Y	95.6	Very high	97.5	Very high	99 Å²	99	39.3 Å²	39.3	39%	0.388	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-12.4	-179.2	-67.4	-77.2	0	0	0	114.9	Y158 Y252 P253 W610	Y158-Y255 AromaticContact CD1-CD1 3.83Å; Y158-Y255 HydrophobicContact CD1-CD1 3.83Å; Y158-Y255 AromaticContact CD1-CE1 3.57Å; Y158-Y255 HydrophobicContact CD1-CE1 3.57Å; Y158-Y255 AromaticContact CD2-CD1 3.68Å; Y158-Y255 HydrophobicContact CD2-CD1 3.68Å; Y158-Y255 HydrophobicContact CD2-CD2 4.12Å; Y158-Y255 HydrophobicContact CD2-CE1 4.19Å; Y158-Y255 AromaticContact CD2-CG 3.63Å; Y158-Y255 HydrophobicContact CD2-CG 3.63Å; Y158-Y255 AromaticContact CE1-CD1 3.63Å; Y158-Y255 HydrophobicContact CE1-CD1 3.63Å; Y158-Y255 AromaticContact CE1-CE1 3.63Å; Y158-Y255 HydrophobicContact CE1-CE1 3.63Å; Y158-Y255 AromaticContact CE2-CD1 3.46Å; Y158-Y255 HydrophobicContact CE2-CD1 3.46Å; Y158-Y255 VanDerWaalsContact CE2-CD1 3.46Å; Y158-Y255 HydrophobicContact CE2-CE1 4.23Å; Y158-Y255 AromaticContact CE2-CG 3.67Å; Y158-Y255 HydrophobicContact CE2-CG 3.67Å; Y158-Y255 AromaticContact CG-CD1 3.88Å; Y158-Y255 HydrophobicContact CG-CD1 3.88Å; Y158-Y255 HydrophobicContact CG-CD2 4.32Å; Y158-Y255 AromaticContact CG-CE1 3.89Å; Y158-Y255 HydrophobicContact CG-CE1 3.89Å; Y158-Y255 HydrophobicContact CG-CE2 4.34Å; Y158-Y255 HydrophobicContact CG-CG 4.09Å; Y158-Y255 AromaticContact CZ-CD1 3.45Å; Y158-Y255 VanDerWaalsContact CZ-CD1 3.45Å; Y158-Y255 AromaticContact CZ-CE1 3.98Å; Y252-Y255 PolarHBondContact O-N 2.72Å; P253-Y255 WeakPolarHBondContact O-CD2 3.5Å; P253-Y255 PolarHBondContact O-N 3.1Å; Y255-W610 WeakPolarHBondContact O-CH2 3.47Å
256	I	97.4	Very high	97.5	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.056	23%	0.232	C	C	.	.	S	Bend	trans	-127.6	124.6	-174.3	-58.1	179.2	0	0	0	110.1	R245 L248 M249 Y252 L262 P263 L266	R245-I256 HydrophobicContact CG-CG2 3.88Å; L248-I256 HydrophobicContact CB-CD1 3.61Å; M249-I256 HydrophobicContact CG-CB 3.94Å; M249-I256 HydrophobicContact CG-CG2 3.82Å; Y252-I256 HydrophobicContact CD2-CD1 4.44Å; I256-L262 HydrophobicContact CG2-CD2 4.49Å; I256-P263 HydrophobicContact CG1-CG 4.19Å; I256-L266 HydrophobicContact CD1-CD1 4.01Å; I256-L266 HydrophobicContact CG1-CD1 4.29Å
257	S	97.1	Very high	97.5	Very high	20 Å²	20	37.6 Å²	37.6	14%	0.14	22%	0.218	C	C	.	.			trans	-73.9	137	172.9	170	0	0	0	0	111.6	R245 T259 G260 W610	R245-S257 WeakPolarHBondContact CD-O 3.12Å; S257-T259 PolarHBondContact O-N 2.93Å; S257-T259 VanDerWaalsContact O-N 3.13Å; S257-T259 PolarHBondContact OG-N 2.95Å; S257-T259 PolarHBondContact OG-OG1 2.83Å; S257-G260 PolarHBondContact O-N 3.5Å; S257-G260 PolarHBondContact OG-N 3.34Å; S257-W610 VanDerWaalsContact CB-CE2 3.45Å
258	P	97.4	Very high	97.3	Very high	74 Å²	74	34.7 Å²	34.7	48%	0.481	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.6	176.8	25.6	-34.5	0	0	0	114.4	R245 M249	R245-P258 PolarHBondContact NE-O 3.01Å; M249-P258 HydrophobicContact CE-CB 3.9Å; M249-P258 HydrophobicContact CE-CG 4.5Å; M249-P258 HydrophobicContact SD-CB 4.02Å
259	T	97.8	Very high	97.1	Very high	61 Å²	61	35.6 Å²	35.6	37%	0.374	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-4.4	-178.9	60.2	0	0	0	0	113.4	S257 F603 W606 S607	S257-T259 PolarHBondContact O-N 2.93Å; S257-T259 VanDerWaalsContact O-N 3.13Å; S257-T259 PolarHBondContact OG-N 2.95Å; S257-T259 PolarHBondContact OG-OG1 2.83Å; T259-F603 HydrophobicContact CG2-CB 3.92Å; T259-F603 HydrophobicContact CG2-CD1 4.07Å; T259-F603 HydrophobicContact CG2-CD2 4.36Å; T259-F603 HydrophobicContact CG2-CG 3.86Å; T259-W606 CarbonylContact O-C 3.6Å; T259-W606 WeakPolarHBondContact O-CA 3.36Å; T259-S607 PolarHBondContact O-N 3.46Å
260	G	97.3	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-87.2	175.5	-177	0	0	0	0	0	114.1	R245 S257	R245-G260 WeakPolarHBondContact CD-O 3.26Å; R245-G260 PolarHBondContact NH1-O 2.79Å; S257-G260 PolarHBondContact O-N 3.5Å; S257-G260 PolarHBondContact OG-N 3.34Å
261	C	98.6	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-61.7	164.2	165.4	-66.4	0	0	0	0	112.4	G486 V488 W610	C261-G486 CarbonylContact C-O 3.56Å; C261-G486 WeakPolarHBondContact CA-O 3.28Å; C261-G486 WeakPolarHBondContact CB-O 3.18Å; C261-V488 HydrophobicContact CB-CB 3.67Å; C261-V488 HydrophobicContact CB-CG1 3.6Å; C261-W610 WeakPolarHBondContact O-CZ3 3.29Å
262	L	98.8	Very high	97.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.7	172.7	-71.3	173.4	0	0	0	111.4	V244 R245 L248 I256 A264 L267 W275 G486 V487 V488	V244-L262 HydrophobicContact CG1-CD1 4.22Å; R245-L262 HydrophobicContact CB-CD2 3.78Å; R245-L262 HydrophobicContact CG-CD2 4Å; L248-L262 HydrophobicContact CD1-CD2 3.98Å; I256-L262 HydrophobicContact CG2-CD2 4.49Å; L262-A264 PolarHBondContact O-N 3.11Å; L262-L267 HydrophobicContact CB-CD2 3.97Å; L262-L267 HydrophobicContact CD1-CD2 3.93Å; L262-W275 HydrophobicContact CD1-CH2 4.04Å; L262-W275 HydrophobicContact CD1-CZ2 4.22Å; L262-G486 PolarHBondContact N-O 3.4Å; L262-V487 CarbonylContact O-C 3.57Å; L262-V487 WeakPolarHBondContact O-CA 3.22Å; L262-V488 PolarHBondContact O-N 2.92Å
263	P	98.7	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	126.9	174.4	-22.1	33.7	0	0	0	112.3	I256 H265 L266 V488 W610 P612	I256-P263 HydrophobicContact CG1-CG 4.19Å; P263-H265 PolarHBondContact O-N 2.92Å; P263-L266 HydrophobicContact CB-CD1 4.03Å; P263-L266 HydrophobicContact CB-CG 4.19Å; P263-L266 HydrophobicContact CG-CD1 4.02Å; P263-L266 PolarHBondContact O-N 3.25Å; P263-V488 WeakPolarHBondContact CA-O 3.45Å; P263-W610 HydrophobicContact CG-CH2 4.25Å; P263-W610 HydrophobicContact CG-CZ3 4.43Å; P263-P612 HydrophobicContact CB-CG 4.24Å; P263-P612 HydrophobicContact CG-CG 4.08Å
264	A	98.7	Very high	97.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.5	-167.7	0	0	0	0	0	116.2	W165 L262 W478 V487 V488	W165-A264 HydrophobicContact CZ2-CB 3.7Å; W165-A264 PolarHBondContact NE1-O 3.11Å; L262-A264 PolarHBondContact O-N 3.11Å; A264-W478 HydrophobicContact CB-CH2 3.92Å; A264-W478 HydrophobicContact CB-CZ3 4.27Å; A264-V487 HydrophobicContact CB-CG1 3.63Å; A264-V488 WeakPolarHBondContact CB-O 3.2Å; A264-V488 PolarHBondContact N-O 2.86Å
265	H	98.6	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.6	179.4	64.5	-79	0	0	0	113.5	M152 Y158 R161 W165 P263 P490	M152-H265 HydrophobicContact CE-CB 4.15Å; M152-H265 VanDerWaalsContact CE-O 3.28Å; M152-H265 WeakPolarHBondContact CE-O 3.27Å; Y158-H265 AromaticContact CD2-NE2 3.46Å; Y158-H265 WeakPolarHBondContact CD2-NE2 3.34Å; Y158-H265 AromaticContact CE1-NE2 3.9Å; Y158-H265 AromaticContact CE2-CE1 3.49Å; Y158-H265 VanDerWaalsContact CE2-CE1 3.49Å; Y158-H265 WeakPolarHBondContact CE2-CE1 3.36Å; Y158-H265 AromaticContact CE2-NE2 3.17Å; Y158-H265 WeakPolarHBondContact CE2-NE2 3.46Å; Y158-H265 AromaticContact CG-NE2 3.93Å; Y158-H265 AromaticContact CZ-CE1 3.5Å; Y158-H265 AromaticContact CZ-NE2 3.4Å; R161-H265 VanDerWaalsContact CZ-O 3.32Å; R161-H265 PolarHBondContact NE-O 3Å; R161-H265 PolarHBondContact NH2-O 3.27Å; W165-H265 HydrophobicContact CB-CB 3.61Å; W165-H265 HydrophobicContact CD2-CB 4.18Å; W165-H265 HydrophobicContact CG-CB 3.51Å; P263-H265 PolarHBondContact O-N 2.92Å; H265-P490 WeakPolarHBondContact ND1-CB 3.16Å
266	L	98.7	Very high	97.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.091	C	C	.	.	S	Bend	trans	-99.9	20.3	-177.2	-56.5	-177.6	0	0	0	113.3	Y158 Y252 I256 P263 L278	Y158-L266 HydrophobicContact CD2-CD1 3.94Å; Y158-L266 HydrophobicContact CD2-CD2 3.98Å; Y158-L266 HydrophobicContact CD2-CG 4.41Å; Y158-L266 HydrophobicContact CE2-CD1 3.97Å; Y252-L266 HydrophobicContact CD1-CD1 4.34Å; Y252-L266 HydrophobicContact CD1-CD2 4.16Å; Y252-L266 HydrophobicContact CD2-CD1 3.96Å; Y252-L266 HydrophobicContact CD2-CD2 4.46Å; Y252-L266 HydrophobicContact CE1-CD2 3.8Å; Y252-L266 HydrophobicContact CE2-CB 4.49Å; Y252-L266 HydrophobicContact CE2-CD1 4.37Å; Y252-L266 HydrophobicContact CE2-CD2 4.13Å; Y252-L266 HydrophobicContact CG-CD1 3.94Å; Y252-L266 HydrophobicContact CG-CD2 4.47Å; I256-L266 HydrophobicContact CD1-CD1 4.01Å; I256-L266 HydrophobicContact CG1-CD1 4.29Å; P263-L266 HydrophobicContact CB-CD1 4.03Å; P263-L266 HydrophobicContact CB-CG 4.19Å; P263-L266 HydrophobicContact CG-CD1 4.02Å; P263-L266 PolarHBondContact O-N 3.25Å; L266-L278 WeakPolarHBondContact O-CD2 3.47Å
267	L	98.4	Very high	96.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.106	C	C	.	.	S	Bend	trans	-102.1	6.3	-167.4	-62.5	178.4	0	0	0	115.3	L262 W275 V487	L262-L267 HydrophobicContact CB-CD2 3.97Å; L262-L267 HydrophobicContact CD1-CD2 3.93Å; L267-W275 HydrophobicContact CD2-CZ2 4.41Å; L267-V487 HydrophobicContact CD1-CB 4.43Å; L267-V487 HydrophobicContact CD1-CG1 3.78Å; L267-V487 HydrophobicContact CD1-CG2 3.68Å
268	G	94.8	Very high	96.7	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	88.8	-6.9	174.4	0	0	0	0	0	116	M152 N277	M152-G268 CarbonylContact O-C 3.49Å; M152-G268 VanDerWaalsContact O-C 3.28Å; G268-N277 PolarHBondContact O-ND2 3.37Å
269	D	95.2	Very high	96.6	Very high	20 Å²	20	16.3 Å²	16.3	11%	0.107	8%	0.081	C	C	.	.	S	Bend	trans	-143.6	-179.4	165.7	74.8	49.9	0	0	0	110.9	M152 W271 G272 R273 F274	M152-D269 WeakPolarHBondContact CE-O 3.38Å; D269-W271 PolarHBondContact O-N 3.38Å; D269-W271 WeakPolarHBondContact OD1-CA 3.49Å; D269-W271 PolarHBondContact OD1-N 3.05Å; D269-G272 WeakPolarHBondContact OD1-CA 3.25Å; D269-G272 PolarHBondContact OD1-N 3.25Å; D269-R273 PolarHBondContact OD1-N 3.43Å; D269-R273 VanDerWaalsContact OD1-N 3.14Å; D269-R273 WeakPolarHBondContact OD2-CA 3.42Å; D269-R273 WeakPolarHBondContact OD2-CB 3.1Å; D269-R273 PolarHBondContact OD2-N 3.23Å; D269-F274 PolarHBondContact OD2-N 2.93Å
270	M	97.8	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-62.9	-20.4	-176.7	176.9	55.7	76.7	0	0	114.7	L144 L148 M152 W165 W168 R169	L144-M270 HydrophobicContact CD1-CB 4.45Å; L144-M270 HydrophobicContact CD1-CE 3.99Å; L144-M270 HydrophobicContact CD1-CG 4.14Å; L148-M270 HydrophobicContact CB-CE 3.81Å; L148-M270 HydrophobicContact CD1-CE 4.29Å; M152-M270 HydrophobicContact CG-CB 4.46Å; M152-M270 HydrophobicContact CG-CE 3.89Å; M152-M270 HydrophobicContact CG-SD 4.42Å; W165-M270 VanDerWaalsContact CD1-O 3.28Å; W168-M270 HydrophobicContact CB-CE 3.82Å; W168-M270 HydrophobicContact CB-SD 3.82Å; W168-M270 HydrophobicContact CG-CE 4.07Å; W168-M270 HydrophobicContact CG-CG 4.4Å; W168-M270 HydrophobicContact CG-SD 4.03Å; R169-M270 PolarHBondContact NH1-O 2.98Å; R169-M270 PolarHBondContact NH1-SD 2.88Å; R169-M270 VanDerWaalsContact NH1-SD 3.39Å; R169-M270 PolarHBondContact NH2-O 3.02Å
271	W	98.5	Very high	96.2	Very high	36 Å²	36	19.6 Å²	19.6	14%	0.136	10%	0.104	C	C	.	.	S	Bend	trans	-127.3	-16.9	-174.1	-46.3	-87.9	0	0	0	114.3	Y127 L144 D269 F452 S502 L503	Y127-W271 HydrophobicContact CE2-CZ2 4.41Å; Y127-W271 WeakPolarHBondContact OH-CH2 3.42Å; Y127-W271 WeakPolarHBondContact OH-CZ2 3.44Å; L144-W271 HydrophobicContact CD2-CH2 4.17Å; L144-W271 HydrophobicContact CD2-CZ2 4.15Å; D269-W271 PolarHBondContact O-N 3.38Å; D269-W271 WeakPolarHBondContact OD1-CA 3.49Å; D269-W271 PolarHBondContact OD1-N 3.05Å; W271-F452 HydrophobicContact CB-CE2 3.84Å; W271-F452 HydrophobicContact CB-CZ 3.93Å; W271-F452 WeakPolarHBondContact O-CE2 3.19Å; W271-S502 WeakPolarHBondContact CZ2-O 3.39Å; W271-S502 PolarHBondContact NE1-O 3.22Å; W271-S502 PolarHBondContact NE1-OG 2.91Å; W271-L503 HydrophobicContact CB-CD1 4.33Å; W271-L503 HydrophobicContact CD2-CB 4.42Å; W271-L503 HydrophobicContact CD2-CD1 4.07Å; W271-L503 HydrophobicContact CD2-CG 4.33Å; W271-L503 HydrophobicContact CG-CB 4.4Å; W271-L503 HydrophobicContact CG-CD1 3.97Å
272	G	97.4	Very high	96.1	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.021	10%	0.104	C	C	.	.	S	Bend	trans	73.5	41.8	-164.7	0	0	0	0	0	113	D269 F452	D269-G272 WeakPolarHBondContact OD1-CA 3.25Å; D269-G272 PolarHBondContact OD1-N 3.25Å; G272-F452 WeakPolarHBondContact O-CD2 3.39Å
273	R	95.3	Very high	95.9	Very high	39 Å²	39	21.1 Å²	21.1	15%	0.147	11%	0.113	C	C	.	.	S	Bend	trans	-72.8	-45.9	174.7	-177.7	-174.8	179.7	-164.7	1.4	110.6	D269 T449 F452 F512	D269-R273 PolarHBondContact OD1-N 3.43Å; D269-R273 VanDerWaalsContact OD1-N 3.14Å; D269-R273 WeakPolarHBondContact OD2-CA 3.42Å; D269-R273 WeakPolarHBondContact OD2-CB 3.1Å; D269-R273 PolarHBondContact OD2-N 3.23Å; R273-T449 VanDerWaalsContact O-CA 3.23Å; R273-T449 WeakPolarHBondContact O-CA 3.28Å; R273-T449 WeakPolarHBondContact O-CB 3.42Å; R273-T449 PolarHBondContact O-OG1 3.26Å; R273-F452 HydrophobicContact CB-CD1 4.4Å; R273-F452 HydrophobicContact CB-CE1 4.15Å; R273-F452 HydrophobicContact CB-CE2 4.35Å; R273-F452 HydrophobicContact CB-CZ 4.13Å; R273-F452 HydrophobicContact CG-CD1 4.22Å; R273-F452 HydrophobicContact CG-CE1 4.13Å; R273-F512 HydrophobicContact CG-CZ 4.46Å
274	F	93.8	Very high	95.7	Very high	61 Å²	61	22 Å²	22	27%	0.268	12%	0.119	S	C	.	.			trans	-126.9	138.3	177.7	-58.9	-66.7	0	0	0	110	D269 T445 T449	D269-F274 PolarHBondContact OD2-N 2.93Å; F274-T445 HydrophobicContact CD1-CG2 3.89Å; F274-T445 WeakPolarHBondContact CD1-O 3.33Å; F274-T445 HydrophobicContact CE1-CG2 4.22Å; F274-T449 HydrophobicContact CD1-CG2 4.29Å; F274-T449 HydrophobicContact CE1-CG2 3.94Å
275	W	97.6	Very high	95.5	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.127	C	C	.	.			trans	-96.3	11.1	179.3	-61.9	-7.7	0	0	0	112.7	Y237 L240 H241 V244 L262 L267 N277 L278 L444	Y237-W275 AromaticContact CE2-CH2 3.51Å; Y237-W275 HydrophobicContact CE2-CH2 3.51Å; Y237-W275 HydrophobicContact CE2-CZ2 4.02Å; Y237-W275 AromaticContact CE2-CZ3 3.96Å; Y237-W275 HydrophobicContact CE2-CZ3 3.96Å; Y237-W275 AromaticContact CZ-CH2 3.6Å; Y237-W275 AromaticContact CZ-CZ2 3.98Å; Y237-W275 WeakPolarHBondContact OH-CH2 3.32Å; Y237-W275 WeakPolarHBondContact OH-CZ2 3.29Å; L240-W275 HydrophobicContact CD2-CZ3 4.49Å; L240-W275 HydrophobicContact CG-CZ3 4.31Å; H241-W275 HydrophobicContact CB-CH2 4.28Å; H241-W275 AromaticContact CD2-CH2 3.98Å; V244-W275 HydrophobicContact CB-CZ3 4.34Å; V244-W275 HydrophobicContact CG1-CE3 4.36Å; V244-W275 HydrophobicContact CG1-CZ3 4.42Å; V244-W275 HydrophobicContact CG2-CE3 4.11Å; V244-W275 HydrophobicContact CG2-CZ3 4.19Å; L262-W275 HydrophobicContact CD1-CH2 4.04Å; L262-W275 HydrophobicContact CD1-CZ2 4.22Å; L267-W275 HydrophobicContact CD2-CZ2 4.41Å; W275-N277 VanDerWaalsContact C-N 3.26Å; W275-N277 PolarHBondContact O-N 2.73Å; W275-L278 HydrophobicContact CB-CD1 3.99Å; W275-L278 HydrophobicContact CB-CG 4.28Å; W275-L278 HydrophobicContact CG-CD1 4.21Å; W275-L278 VanDerWaalsContact O-CB 3.24Å; W275-L278 WeakPolarHBondContact O-CB 3.5Å; W275-L278 WeakPolarHBondContact O-CG 3.37Å; W275-L278 PolarHBondContact O-N 3.5Å; W275-L444 HydrophobicContact CB-CB 4.07Å; W275-L444 HydrophobicContact CB-CD2 3.77Å; W275-L444 WeakPolarHBondContact CB-O 3.36Å; W275-L444 HydrophobicContact CE3-CD2 4.21Å; W275-L444 PolarHBondContact N-O 3.26Å
276	T	90.9	Very high	94.9	Very high	25 Å²	25	26.7 Å²	26.7	15%	0.153	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-53.2	-41.5	-172.3	-42.3	0	0	0	0	112.5	L278 Y279 T445	T276-L278 PolarHBondContact O-N 2.91Å; T276-Y279 WeakPolarHBondContact O-CB 3.47Å; T276-Y279 PolarHBondContact O-N 3.32Å; T276-Y279 VanDerWaalsContact O-N 3.1Å; T276-T445 WeakPolarHBondContact CG2-OG1 3.44Å; T276-T445 PolarHBondContact OG1-OG1 2.77Å
277	N	91.4	Very high	94.3	Very high	66 Å²	66	33 Å²	33	35%	0.353	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-71.4	-13.7	-179.6	-61.4	-37.5	0	0	0	113.7	G268 W275 Y279 S280	G268-N277 PolarHBondContact O-ND2 3.37Å; W275-N277 VanDerWaalsContact C-N 3.26Å; W275-N277 PolarHBondContact O-N 2.73Å; N277-Y279 PolarHBondContact O-N 2.88Å; N277-S280 PolarHBondContact O-OG 3.04Å
278	L	96.1	Very high	93.6	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-74.9	-8	171	-53	-172.1	0	0	0	113	V244 L248 L266 W275 T276 S280 L281 T282	V244-L278 HydrophobicContact CG1-CD1 3.87Å; L248-L278 HydrophobicContact CD1-CD1 4.22Å; L248-L278 HydrophobicContact CD2-CD2 4.41Å; L266-L278 WeakPolarHBondContact O-CD2 3.47Å; W275-L278 HydrophobicContact CB-CD1 3.99Å; W275-L278 HydrophobicContact CB-CG 4.28Å; W275-L278 HydrophobicContact CG-CD1 4.21Å; W275-L278 VanDerWaalsContact O-CB 3.24Å; W275-L278 WeakPolarHBondContact O-CB 3.5Å; W275-L278 WeakPolarHBondContact O-CG 3.37Å; W275-L278 PolarHBondContact O-N 3.5Å; T276-L278 PolarHBondContact O-N 2.91Å; L278-S280 PolarHBondContact O-N 3.07Å; L278-L281 PolarHBondContact O-N 3.31Å; L278-T282 HydrophobicContact CB-CG2 4.12Å; L278-T282 WeakPolarHBondContact O-CB 3.42Å; L278-T282 WeakPolarHBondContact O-CG2 3.43Å; L278-T282 PolarHBondContact O-N 2.85Å; L278-T282 PolarHBondContact O-OG1 2.94Å
279	Y	93.4	Very high	92.6	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.078	22%	0.223	C	C	.	.	H	α-helix	trans	-56.8	-37.5	-175.5	-179.1	-107.3	0	0	0	112.8	T276 N277 L281 T282 V283 N290 N437 K441 L444	T276-Y279 WeakPolarHBondContact O-CB 3.47Å; T276-Y279 PolarHBondContact O-N 3.32Å; T276-Y279 VanDerWaalsContact O-N 3.1Å; N277-Y279 PolarHBondContact O-N 2.88Å; Y279-L281 VanDerWaalsContact C-N 3.28Å; Y279-L281 PolarHBondContact O-N 3.26Å; Y279-T282 WeakPolarHBondContact CA-OG1 3.48Å; Y279-T282 PolarHBondContact O-N 3.1Å; Y279-V283 HydrophobicContact CE2-CG2 4.4Å; Y279-V283 WeakPolarHBondContact O-CA 3.29Å; Y279-V283 WeakPolarHBondContact O-CB 3.44Å; Y279-V283 PolarHBondContact O-N 3.35Å; Y279-N290 WeakPolarHBondContact CE1-ND2 3.36Å; Y279-N290 WeakPolarHBondContact CE1-OD1 3.19Å; Y279-N290 PolarHBondContact OH-OD1 2.94Å; Y279-N437 WeakPolarHBondContact CE2-O 3.44Å; Y279-N437 WeakPolarHBondContact OH-CB 3.48Å; Y279-N437 PolarHBondContact OH-O 2.81Å; Y279-K441 HydrophobicContact CD2-CB 3.84Å; Y279-K441 HydrophobicContact CD2-CG 4.35Å; Y279-K441 HydrophobicContact CE2-CB 3.84Å; Y279-K441 HydrophobicContact CG-CB 4.29Å; Y279-K441 HydrophobicContact CG-CG 4.31Å; Y279-L444 HydrophobicContact CD2-CD1 4.07Å; Y279-L444 HydrophobicContact CG-CD1 4.5Å
280	S	91.3	Very high	91.3	Very high	89 Å²	89	41.9 Å²	41.9	62%	0.622	23%	0.234	S	C	*	.	H	α-helix	trans	-59.7	-33.9	175.1	57.1	0	0	0	0	113.8	N277 L278	N277-S280 PolarHBondContact O-OG 3.04Å; L278-S280 PolarHBondContact O-N 3.07Å
281	L	95.4	Very high	90.3	Very high	42 Å²	42	42.3 Å²	42.3	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-89	-26.2	178.8	-57.5	179.2	0	0	0	112.8	L156 L248 A251 Y252 L278 Y279	L156-L281 HydrophobicContact CD1-CD2 4.36Å; L156-L281 HydrophobicContact CD2-CD1 3.87Å; L156-L281 HydrophobicContact CD2-CD2 3.89Å; L156-L281 HydrophobicContact CD2-CG 4.26Å; L248-L281 HydrophobicContact CD2-CB 4.43Å; L248-L281 HydrophobicContact CD2-CD1 3.78Å; A251-L281 HydrophobicContact CB-CD1 4.23Å; A251-L281 HydrophobicContact CB-CD2 4.22Å; Y252-L281 HydrophobicContact CE2-CD1 4.23Å; L278-L281 PolarHBondContact O-N 3.31Å; Y279-L281 VanDerWaalsContact C-N 3.28Å; Y279-L281 PolarHBondContact O-N 3.26Å
282	T	97	Very high	89.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-106.3	-6.2	-170.7	59.1	0	0	0	0	113.7	Y243 V244 K247 L278 Y279 L440	Y243-T282 VanDerWaalsContact CE1-O 3.26Å; Y243-T282 WeakPolarHBondContact CE1-O 2.93Å; Y243-T282 PolarHBondContact OH-O 3.25Å; V244-T282 HydrophobicContact CB-CG2 4.42Å; V244-T282 HydrophobicContact CG1-CG2 4.2Å; V244-T282 HydrophobicContact CG2-CG2 4.14Å; K247-T282 HydrophobicContact CB-CG2 3.99Å; L278-T282 HydrophobicContact CB-CG2 4.12Å; L278-T282 WeakPolarHBondContact O-CB 3.42Å; L278-T282 WeakPolarHBondContact O-CG2 3.43Å; L278-T282 PolarHBondContact O-N 2.85Å; L278-T282 PolarHBondContact O-OG1 2.94Å; Y279-T282 WeakPolarHBondContact CA-OG1 3.48Å; Y279-T282 PolarHBondContact O-N 3.1Å; T282-L440 WeakPolarHBondContact O-CD2 3.4Å
283	V	95.3	Very high	89.2	Confident	32 Å²	32	43.3 Å²	43.3	19%	0.194	24%	0.243	C	C	.	.			trans	-47.6	129.5	-177.6	63.3	0	0	0	0	112	K247 Y279	K247-V283 PolarHBondContact NZ-O 3.35Å; Y279-V283 HydrophobicContact CE2-CG2 4.4Å; Y279-V283 WeakPolarHBondContact O-CA 3.29Å; Y279-V283 WeakPolarHBondContact O-CB 3.44Å; Y279-V283 PolarHBondContact O-N 3.35Å
284	P	94.8	Very high	88.9	Confident	20 Å²	20	43.1 Å²	43.1	13%	0.13	25%	0.247	C	C	.	.	S	Bend	trans	-63.7	-53.8	176.1	-29.5	39.1	0	0	0	112.6	I436 N437 L440 W594	P284-I436 HydrophobicContact CB-CG2 3.97Å; P284-I436 HydrophobicContact CG-CG2 3.86Å; P284-N437 WeakPolarHBondContact CB-OD1 3.47Å; P284-N437 VanDerWaalsContact CD-OD1 3.29Å; P284-N437 WeakPolarHBondContact CD-OD1 3.41Å; P284-L440 HydrophobicContact CG-CB 4.33Å; P284-L440 HydrophobicContact CG-CD2 3.94Å; P284-W594 HydrophobicContact CB-CH2 3.52Å; P284-W594 HydrophobicContact CB-CZ2 3.7Å; P284-W594 HydrophobicContact CB-CZ3 4.37Å; P284-W594 HydrophobicContact CG-CH2 3.64Å; P284-W594 HydrophobicContact CG-CZ2 4.26Å; P284-W594 HydrophobicContact CG-CZ3 4.03Å
285	F	93.4	Very high	88.6	Confident	42 Å²	42	45.8 Å²	45.8	18%	0.184	26%	0.264	C	S	.	.			trans	-125.6	73.5	-171.3	-56.1	-75.1	0	0	0	110.3	Q287 K288 E433 I436 N437 W594	F285-Q287 VanDerWaalsContact C-OE1 3.28Å; F285-Q287 PolarHBondContact O-N 3.14Å; F285-Q287 VanDerWaalsContact O-N 3.13Å; F285-K288 HydrophobicContact CB-CG 3.99Å; F285-K288 WeakPolarHBondContact O-CB 3.46Å; F285-K288 PolarHBondContact O-N 3.49Å; F285-E433 HydrophobicContact CB-CB 4.08Å; F285-E433 HydrophobicContact CD1-CB 4.17Å; F285-E433 HydrophobicContact CD1-CG 3.84Å; F285-E433 HydrophobicContact CD2-CB 3.5Å; F285-E433 VanDerWaalsContact CD2-CB 3.5Å; F285-E433 HydrophobicContact CD2-CG 3.89Å; F285-E433 WeakPolarHBondContact CD2-O 3.41Å; F285-E433 HydrophobicContact CE1-CG 3.85Å; F285-E433 HydrophobicContact CE2-CB 3.91Å; F285-E433 HydrophobicContact CE2-CG 3.91Å; F285-E433 HydrophobicContact CG-CB 3.65Å; F285-E433 HydrophobicContact CG-CG 3.86Å; F285-E433 HydrophobicContact CZ-CB 4.4Å; F285-E433 HydrophobicContact CZ-CG 3.88Å; F285-I436 HydrophobicContact CD2-CG2 4.49Å; F285-I436 HydrophobicContact CE2-CB 4.14Å; F285-I436 HydrophobicContact CE2-CG2 3.91Å; F285-N437 PolarHBondContact N-OD1 3.27Å; F285-N437 PolarHBondContact O-ND2 3.01Å; F285-W594 HydrophobicContact CE2-CZ2 4.34Å; F285-W594 HydrophobicContact CZ-CZ2 4.34Å; F285-W594 AromaticContact CZ-NE1 3.97Å
286	G	86.6	Confident	88.3	Confident	57 Å²	57	47 Å²	47	59%	0.588	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.9	-176.2	0	0	0	0	0	115.4	K288	G286-K288 VanDerWaalsContact C-N 3.33Å
287	Q	86.8	Confident	88.6	Confident	134 Å²	134	45.8 Å²	45.8	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.6	171.2	75.1	-74.6	-3.7	0	0	113.8	F285 E433	F285-Q287 VanDerWaalsContact C-OE1 3.28Å; F285-Q287 PolarHBondContact O-N 3.14Å; F285-Q287 VanDerWaalsContact O-N 3.13Å; Q287-E433 PolarHBondContact NE2-OE2 3.46Å; Q287-E433 VanDerWaalsContact NE2-OE2 3.13Å
288	K	83.1	Confident	88.8	Confident	58 Å²	58	46.5 Å²	46.5	25%	0.252	27%	0.273	S	S	.	.	S	Bend	trans	-86.8	146	176	-66	-73	179.3	163.3	0	109.9	F285 G286 N290 D431 E433 T434	F285-K288 HydrophobicContact CB-CG 3.99Å; F285-K288 WeakPolarHBondContact O-CB 3.46Å; F285-K288 PolarHBondContact O-N 3.49Å; G286-K288 VanDerWaalsContact C-N 3.33Å; K288-N290 PolarHBondContact O-N 3.01Å; K288-D431 IonicContact NZ-OD1 2.7Å; K288-D431 IonicContact NZ-OD2 3.66Å; K288-D431 PolarHBondContact NZ-OD2 3.2Å; K288-E433 HydrophobicContact CD-CB 4.45Å; K288-E433 WeakPolarHBondContact CE-OE2 3.33Å; K288-E433 HydrophobicContact CG-CB 4.13Å; K288-E433 IonicContact NZ-OE2 2.68Å; K288-T434 HydrophobicContact CB-CG2 4.27Å; K288-T434 HydrophobicContact CD-CG2 4.18Å; K288-T434 HydrophobicContact CG-CG2 4.37Å
289	P	72.8	Confident	88.8	Confident	88 Å²	88	52.8 Å²	52.8	57%	0.571	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-54.1	133	166.2	-22.1	33.3	0	0	0	110
290	N	69.3	Low	88.9	Confident	62 Å²	62	56.1 Å²	56.1	33%	0.332	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.4	153.2	166.5	-162.4	18.5	0	0	0	108.9	Y279 K288 D292	Y279-N290 WeakPolarHBondContact CE1-ND2 3.36Å; Y279-N290 WeakPolarHBondContact CE1-OD1 3.19Å; Y279-N290 PolarHBondContact OH-OD1 2.94Å; K288-N290 PolarHBondContact O-N 3.01Å; N290-D292 HydrophobicContact CB-CB 4.21Å; N290-D292 PolarHBondContact O-N 3.42Å
291	I	76.6	Confident	89.3	Confident	9 Å²	9	56 Å²	56	5%	0.046	33%	0.327	C	S	.	.	S	Bend	trans	-79.3	24.8	173.2	-66.4	149.2	0	0	0	110.3	V293 M366 P415 L418 L424 F428 F438	I291-V293 PolarHBondContact O-N 3.09Å; I291-M366 HydrophobicContact CG2-CE 4.49Å; I291-M366 WeakPolarHBondContact O-CE 3.37Å; I291-P415 HydrophobicContact CD1-CG 3.95Å; I291-P415 HydrophobicContact CG1-CG 4.42Å; I291-P415 HydrophobicContact CG2-CG 4.26Å; I291-L418 HydrophobicContact CG2-CD1 3.68Å; I291-L424 HydrophobicContact CG2-CD1 4.35Å; I291-F428 HydrophobicContact CG1-CZ 4.13Å; I291-F438 HydrophobicContact CD1-CB 3.92Å; I291-F438 HydrophobicContact CD1-CD2 4.46Å
292	D	82.6	Confident	89.4	Confident	56 Å²	56	54.6 Å²	54.6	30%	0.299	32%	0.319	S	S	.	.			trans	-81	110.8	178.8	-156.3	-47.5	0	0	0	110.2	N290 T294	N290-D292 HydrophobicContact CB-CB 4.21Å; N290-D292 PolarHBondContact O-N 3.42Å; D292-T294 VanDerWaalsContact C-N 3.32Å; D292-T294 WeakPolarHBondContact OD1-CB 3.02Å; D292-T294 PolarHBondContact OD1-N 3.14Å; D292-T294 PolarHBondContact OD1-OG1 3.46Å
293	V	89.2	Confident	89.4	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.012	34%	0.341	C	S	.	.			trans	-88.8	3.8	-177.1	-69.8	0	0	0	0	113.4	I291 D295 A296 M297 M366 L418 L423 L424	I291-V293 PolarHBondContact O-N 3.09Å; V293-D295 PolarHBondContact O-N 2.94Å; V293-A296 HydrophobicContact CB-CB 4.5Å; V293-A296 WeakPolarHBondContact O-CA 3.45Å; V293-A296 WeakPolarHBondContact O-CB 3.37Å; V293-A296 PolarHBondContact O-N 2.73Å; V293-M297 HydrophobicContact CG2-SD 4.04Å; V293-M297 WeakPolarHBondContact O-CG 3.42Å; V293-M297 PolarHBondContact O-N 3.15Å; V293-M366 HydrophobicContact CG2-CB 3.86Å; V293-M366 HydrophobicContact CG2-CG 3.72Å; V293-M366 HydrophobicContact CG2-SD 4.31Å; V293-L418 HydrophobicContact CG1-CB 4.39Å; V293-L418 HydrophobicContact CG1-CD1 4.03Å; V293-L418 HydrophobicContact CG1-CD2 4.24Å; V293-L418 HydrophobicContact CG1-CG 4.45Å; V293-L418 HydrophobicContact CG2-CD2 4.04Å; V293-L423 HydrophobicContact CB-CB 3.95Å; V293-L423 HydrophobicContact CB-CD1 4.05Å; V293-L423 HydrophobicContact CG1-CB 3.75Å; V293-L423 HydrophobicContact CG2-CD1 3.88Å; V293-L424 HydrophobicContact CG1-CD2 3.91Å; V293-L424 HydrophobicContact CG1-CG 4.13Å
294	T	89.7	Confident	89.5	Confident	35 Å²	35	57.6 Å²	57.6	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-50.1	-52.4	178.1	-62.5	0	0	0	0	112	D292 A296 M297 V298 T365 M366	D292-T294 VanDerWaalsContact C-N 3.32Å; D292-T294 WeakPolarHBondContact OD1-CB 3.02Å; D292-T294 PolarHBondContact OD1-N 3.14Å; D292-T294 PolarHBondContact OD1-OG1 3.46Å; T294-A296 VanDerWaalsContact C-N 3.31Å; T294-A296 PolarHBondContact O-N 2.96Å; T294-M297 PolarHBondContact O-N 2.95Å; T294-V298 WeakPolarHBondContact O-CG2 3.48Å; T294-V298 PolarHBondContact O-N 2.88Å; T294-T365 WeakPolarHBondContact OG1-CA 3.41Å; T294-M366 PolarHBondContact OG1-N 3.08Å
295	D	87.9	Confident	89.6	Confident	118 Å²	118	61 Å²	61	63%	0.631	35%	0.35	S	S	*	.	H	α-helix	trans	-63.7	-35.6	178.2	-74.5	-28.2	0	0	0	112.3	V293 N299	V293-D295 PolarHBondContact O-N 2.94Å; D295-N299 VanDerWaalsContact O-CB 3.29Å; D295-N299 WeakPolarHBondContact O-CB 3.39Å; D295-N299 PolarHBondContact O-N 3.25Å; D295-N299 PolarHBondContact O-ND2 3.29Å
296	A	91.6	Very high	89.9	Confident	25 Å²	25	63.4 Å²	63.4	21%	0.207	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-41.4	177.7	0	0	0	0	0	111.7	V293 T294 Q300 L423	V293-A296 HydrophobicContact CB-CB 4.5Å; V293-A296 WeakPolarHBondContact O-CA 3.45Å; V293-A296 WeakPolarHBondContact O-CB 3.37Å; V293-A296 PolarHBondContact O-N 2.73Å; T294-A296 VanDerWaalsContact C-N 3.31Å; T294-A296 PolarHBondContact O-N 2.96Å; A296-Q300 VanDerWaalsContact O-CB 3.31Å; A296-Q300 WeakPolarHBondContact O-CB 3.21Å; A296-Q300 VanDerWaalsContact O-CG 3.24Å; A296-Q300 WeakPolarHBondContact O-CG 3.37Å; A296-Q300 PolarHBondContact O-N 3.38Å; A296-L423 HydrophobicContact CB-CD2 4.28Å; A296-L423 VanDerWaalsContact CB-O 3.23Å; A296-L423 WeakPolarHBondContact CB-O 3.44Å
297	M	96.4	Very high	90.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.2	-46.3	175	-67.6	166.7	63.3	0	0	111.3	V293 T294 Q300 A301 W302 I307 V364 T365 F369 L423	V293-M297 HydrophobicContact CG2-SD 4.04Å; V293-M297 WeakPolarHBondContact O-CG 3.42Å; V293-M297 PolarHBondContact O-N 3.15Å; T294-M297 PolarHBondContact O-N 2.95Å; M297-Q300 CarbonylContact O-C 3.55Å; M297-Q300 PolarHBondContact O-N 3.49Å; M297-A301 PolarHBondContact O-N 3.45Å; M297-W302 HydrophobicContact CB-CB 4.07Å; M297-W302 HydrophobicContact CB-CD2 4.47Å; M297-W302 HydrophobicContact CB-CG 4.18Å; M297-W302 HydrophobicContact CE-CE3 4.22Å; M297-W302 HydrophobicContact CG-CD2 4.22Å; M297-W302 HydrophobicContact CG-CE3 4.22Å; M297-W302 HydrophobicContact CG-CG 4.45Å; M297-W302 WeakPolarHBondContact O-CB 3.43Å; M297-W302 PolarHBondContact O-N 3.43Å; M297-I307 HydrophobicContact CE-CD1 3.55Å; M297-I307 HydrophobicContact CE-CG1 3.71Å; M297-V364 HydrophobicContact CB-CG1 3.78Å; M297-V364 HydrophobicContact CE-CG1 4.19Å; M297-T365 WeakPolarHBondContact CE-O 3.23Å; M297-F369 HydrophobicContact CE-CB 3.85Å; M297-F369 HydrophobicContact SD-CB 4.18Å; M297-L423 HydrophobicContact CB-CD2 4.4Å; M297-L423 HydrophobicContact CG-CD1 3.66Å; M297-L423 HydrophobicContact CG-CD2 3.55Å; M297-L423 HydrophobicContact CG-CG 4.28Å; M297-L423 HydrophobicContact SD-CD1 4.13Å
298	V	95.9	Very high	91	Very high	82 Å²	82	54.3 Å²	54.3	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-47.5	177.4	172	0	0	0	0	111.4	T294 Q300 A301 V364	T294-V298 WeakPolarHBondContact O-CG2 3.48Å; T294-V298 PolarHBondContact O-N 2.88Å; V298-Q300 PolarHBondContact O-N 2.93Å; V298-A301 PolarHBondContact O-N 3.18Å; V298-V364 HydrophobicContact CG2-CB 4.26Å; V298-V364 HydrophobicContact CG2-CG1 3.87Å
299	N	95.6	Very high	91.7	Very high	138 Å²	138	55 Å²	55	74%	0.738	30%	0.302	S	S	*	.	H	α-helix	trans	-64.8	-26.5	178	-78.7	-65.3	0	0	0	113.2	D295 A301	D295-N299 VanDerWaalsContact O-CB 3.29Å; D295-N299 WeakPolarHBondContact O-CB 3.39Å; D295-N299 PolarHBondContact O-N 3.25Å; D295-N299 PolarHBondContact O-ND2 3.29Å; N299-A301 VanDerWaalsContact C-N 3.32Å
300	Q	96.8	Very high	92.9	Very high	90 Å²	90	51.6 Å²	51.6	42%	0.421	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.1	172.8	-69.4	180	34.7	0	0	113.7	A296 M297 V298 W302 G422	A296-Q300 VanDerWaalsContact O-CB 3.31Å; A296-Q300 WeakPolarHBondContact O-CB 3.21Å; A296-Q300 VanDerWaalsContact O-CG 3.24Å; A296-Q300 WeakPolarHBondContact O-CG 3.37Å; A296-Q300 PolarHBondContact O-N 3.38Å; M297-Q300 CarbonylContact O-C 3.55Å; M297-Q300 PolarHBondContact O-N 3.49Å; V298-Q300 PolarHBondContact O-N 2.93Å; Q300-W302 VanDerWaalsContact C-N 3.29Å; Q300-W302 VanDerWaalsContact CB-CD1 3.4Å; Q300-W302 PolarHBondContact O-N 3.46Å; Q300-G422 PolarHBondContact NE2-O 2.7Å
301	A	97.6	Very high	94.3	Very high	86 Å²	86	48.6 Å²	48.6	71%	0.711	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	40.5	-177	0	0	0	0	0	114.1	M297 V298 N299	M297-A301 PolarHBondContact O-N 3.45Å; V298-A301 PolarHBondContact O-N 3.18Å; N299-A301 VanDerWaalsContact C-N 3.32Å
302	W	98.2	Very high	95.4	Very high	12 Å²	12	49 Å²	49	5%	0.045	27%	0.265	C	S	.	.			trans	-65.3	154.8	170.6	-74.5	44.2	0	0	0	110.9	M297 Q300 R306 I307 E310 V364 F369 I421 L423	M297-W302 HydrophobicContact CB-CB 4.07Å; M297-W302 HydrophobicContact CB-CD2 4.47Å; M297-W302 HydrophobicContact CB-CG 4.18Å; M297-W302 HydrophobicContact CE-CE3 4.22Å; M297-W302 HydrophobicContact CG-CD2 4.22Å; M297-W302 HydrophobicContact CG-CE3 4.22Å; M297-W302 HydrophobicContact CG-CG 4.45Å; M297-W302 WeakPolarHBondContact O-CB 3.43Å; M297-W302 PolarHBondContact O-N 3.43Å; Q300-W302 VanDerWaalsContact C-N 3.29Å; Q300-W302 VanDerWaalsContact CB-CD1 3.4Å; Q300-W302 PolarHBondContact O-N 3.46Å; W302-R306 HydrophobicContact CD2-CG 3.71Å; W302-R306 HydrophobicContact CE3-CB 4.46Å; W302-R306 HydrophobicContact CE3-CG 3.78Å; W302-R306 HydrophobicContact CG-CG 4.07Å; W302-R306 HydrophobicContact CZ3-CG 4.27Å; W302-I307 HydrophobicContact CE3-CG1 4.09Å; W302-E310 HydrophobicContact CH2-CB 4.49Å; W302-E310 HydrophobicContact CH2-CG 3.74Å; W302-E310 HydrophobicContact CZ3-CB 4.46Å; W302-E310 HydrophobicContact CZ3-CG 3.96Å; W302-V364 HydrophobicContact CB-CG1 4.28Å; W302-V364 WeakPolarHBondContact O-CG2 3.14Å; W302-F369 HydrophobicContact CH2-CE2 4.48Å; W302-F369 HydrophobicContact CZ3-CD2 4.06Å; W302-F369 HydrophobicContact CZ3-CE2 4.01Å; W302-I421 HydrophobicContact CH2-CD1 4.25Å; W302-L423 HydrophobicContact CD2-CD2 4.28Å; W302-L423 HydrophobicContact CH2-CD1 3.71Å; W302-L423 HydrophobicContact CH2-CD2 4.05Å; W302-L423 HydrophobicContact CH2-CG 3.85Å; W302-L423 HydrophobicContact CZ2-CD1 4.05Å; W302-L423 HydrophobicContact CZ2-CD2 3.5Å; W302-L423 VanDerWaalsContact CZ2-CD2 3.5Å; W302-L423 HydrophobicContact CZ2-CG 3.7Å; W302-L423 HydrophobicContact CZ3-CD1 4.04Å
303	N	97.4	Very high	96.1	Very high	88 Å²	88	51.7 Å²	51.7	47%	0.471	27%	0.274	S	S	.	.			trans	-141.3	173.9	175.5	61.7	20.4	0	0	0	109.6	Q305 R306 I307	N303-Q305 VanDerWaalsContact C-N 3.26Å; N303-Q305 PolarHBondContact O-N 3.21Å; N303-Q305 PolarHBondContact OD1-N 3.48Å; N303-R306 PolarHBondContact O-N 2.88Å; N303-R306 PolarHBondContact OD1-N 3.44Å; N303-I307 WeakPolarHBondContact O-CG1 3.45Å; N303-I307 PolarHBondContact O-N 3.43Å
304	A	97.3	Very high	96.5	Very high	8 Å²	8	51.9 Å²	51.9	7%	0.066	27%	0.274	C	S	.	.	H	α-helix	trans	-51	-44.2	178.8	0	0	0	0	0	112.7	R306 I307 F308 L333 T334 T362	A304-R306 VanDerWaalsContact C-N 3.3Å; A304-R306 PolarHBondContact O-N 2.89Å; A304-I307 WeakPolarHBondContact O-CB 3.5Å; A304-I307 PolarHBondContact O-N 3.07Å; A304-I307 VanDerWaalsContact O-N 3.13Å; A304-F308 WeakPolarHBondContact O-CD2 3.38Å; A304-F308 PolarHBondContact O-N 3.13Å; A304-L333 WeakPolarHBondContact CB-O 3.39Å; A304-T334 HydrophobicContact CB-CG2 3.64Å; A304-T362 HydrophobicContact CB-CG2 4.01Å
305	Q	97.6	Very high	96.9	Very high	92 Å²	92	50.2 Å²	50.2	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-36.3	178.8	-168.3	65.6	7.8	0	0	112.7	N303 K309	N303-Q305 VanDerWaalsContact C-N 3.26Å; N303-Q305 PolarHBondContact O-N 3.21Å; N303-Q305 PolarHBondContact OD1-N 3.48Å; Q305-K309 VanDerWaalsContact O-CB 3.31Å; Q305-K309 WeakPolarHBondContact O-CB 3.43Å; Q305-K309 VanDerWaalsContact O-CG 3.24Å; Q305-K309 WeakPolarHBondContact O-CG 3.44Å; Q305-K309 PolarHBondContact O-N 3.24Å
306	R	98.2	Very high	97.4	Very high	92 Å²	92	47.3 Å²	47.3	35%	0.347	25%	0.251	S	S	.	.	H	α-helix	trans	-70.7	-42.2	173.8	-178	61.7	-174.9	-67.7	-1.7	111.8	W302 N303 A304 K309 E310	W302-R306 HydrophobicContact CD2-CG 3.71Å; W302-R306 HydrophobicContact CE3-CB 4.46Å; W302-R306 HydrophobicContact CE3-CG 3.78Å; W302-R306 HydrophobicContact CG-CG 4.07Å; W302-R306 HydrophobicContact CZ3-CG 4.27Å; N303-R306 PolarHBondContact O-N 2.88Å; N303-R306 PolarHBondContact OD1-N 3.44Å; A304-R306 VanDerWaalsContact C-N 3.3Å; A304-R306 PolarHBondContact O-N 2.89Å; R306-K309 PolarHBondContact O-N 3Å; R306-E310 IonicContact CZ-OE1 3.2Å; R306-E310 IonicContact NE-OE1 2.82Å; R306-E310 PolarHBondContact NE-OE1 3.26Å; R306-E310 IonicContact NH2-OE1 2.72Å; R306-E310 PolarHBondContact NH2-OE1 3.21Å; R306-E310 PolarHBondContact O-N 3.21Å
307	I	98.6	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-55.9	-56.2	178.1	-70.2	168.6	0	0	0	110.2	M297 W302 N303 A304 K309 E310 A311 T362 F369 A372	M297-I307 HydrophobicContact CE-CD1 3.55Å; M297-I307 HydrophobicContact CE-CG1 3.71Å; W302-I307 HydrophobicContact CE3-CG1 4.09Å; N303-I307 WeakPolarHBondContact O-CG1 3.45Å; N303-I307 PolarHBondContact O-N 3.43Å; A304-I307 WeakPolarHBondContact O-CB 3.5Å; A304-I307 PolarHBondContact O-N 3.07Å; A304-I307 VanDerWaalsContact O-N 3.13Å; I307-K309 VanDerWaalsContact C-N 3.26Å; I307-K309 PolarHBondContact O-N 2.86Å; I307-E310 PolarHBondContact O-N 2.63Å; I307-A311 PolarHBondContact O-N 3.25Å; I307-A311 VanDerWaalsContact O-N 3.11Å; I307-T362 HydrophobicContact CD1-CG2 4.14Å; I307-F369 HydrophobicContact CG2-CB 4.23Å; I307-F369 HydrophobicContact CG2-CD2 4.26Å; I307-A372 HydrophobicContact CG2-CB 3.47Å; I307-A372 VanDerWaalsContact CG2-CB 3.47Å
308	F	98.6	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-25.8	179.7	-79.7	-93.9	0	0	0	113	A304 E312 F327 W328 L333 I358 M360 T362 A372 M376	A304-F308 WeakPolarHBondContact O-CD2 3.38Å; A304-F308 PolarHBondContact O-N 3.13Å; F308-E312 PolarHBondContact O-N 3.3Å; F308-F327 HydrophobicContact CD1-CZ 4.33Å; F308-W328 HydrophobicContact CB-CH2 3.65Å; F308-W328 HydrophobicContact CB-CZ3 3.93Å; F308-L333 HydrophobicContact CB-CD1 4.26Å; F308-L333 HydrophobicContact CD1-CD1 4.47Å; F308-L333 HydrophobicContact CD1-CD2 4.1Å; F308-L333 HydrophobicContact CD2-CD1 4.16Å; F308-L333 HydrophobicContact CD2-CD2 4.25Å; F308-L333 HydrophobicContact CE1-CD2 3.9Å; F308-L333 HydrophobicContact CE2-CB 4.46Å; F308-L333 HydrophobicContact CE2-CD2 4.05Å; F308-L333 HydrophobicContact CG-CD1 4.03Å; F308-L333 HydrophobicContact CG-CD2 4.29Å; F308-L333 HydrophobicContact CZ-CD2 3.87Å; F308-I358 HydrophobicContact CE1-CD1 3.81Å; F308-I358 HydrophobicContact CE1-CG2 4.08Å; F308-I358 HydrophobicContact CZ-CG2 4.11Å; F308-M360 HydrophobicContact CE2-SD 4.17Å; F308-M360 HydrophobicContact CZ-CB 4.43Å; F308-M360 HydrophobicContact CZ-SD 3.78Å; F308-T362 HydrophobicContact CE2-CG2 4.09Å; F308-A372 HydrophobicContact CD1-CB 4.16Å; F308-A372 HydrophobicContact CD2-CB 4.04Å; F308-A372 HydrophobicContact CE1-CB 3.86Å; F308-A372 HydrophobicContact CE2-CB 3.74Å; F308-A372 HydrophobicContact CG-CB 4.24Å; F308-A372 HydrophobicContact CZ-CB 3.65Å; F308-M376 HydrophobicContact CB-CE 4.35Å; F308-M376 HydrophobicContact CD1-CE 3.88Å; F308-M376 WeakPolarHBondContact O-CE 3.48Å
309	K	98.4	Very high	97.8	Very high	71 Å²	71	45.9 Å²	45.9	31%	0.309	25%	0.25	S	C	.	.	H	α-helix	trans	-78.1	-29.4	175.4	-78.4	-65	-176.8	-166.8	0	114.5	Q305 R306 I307 E312 K313 W328	Q305-K309 VanDerWaalsContact O-CB 3.31Å; Q305-K309 WeakPolarHBondContact O-CB 3.43Å; Q305-K309 VanDerWaalsContact O-CG 3.24Å; Q305-K309 WeakPolarHBondContact O-CG 3.44Å; Q305-K309 PolarHBondContact O-N 3.24Å; R306-K309 PolarHBondContact O-N 3Å; I307-K309 VanDerWaalsContact C-N 3.26Å; I307-K309 PolarHBondContact O-N 2.86Å; K309-E312 WeakPolarHBondContact CD-OE2 3.36Å; K309-E312 WeakPolarHBondContact CE-OE2 3.41Å; K309-E312 IonicContact NZ-OE1 2.62Å; K309-E312 PolarHBondContact NZ-OE1 2.85Å; K309-E312 IonicContact NZ-OE2 2.65Å; K309-E312 PolarHBondContact NZ-OE2 2.78Å; K309-K313 VanDerWaalsContact O-CB 3.3Å; K309-K313 WeakPolarHBondContact O-CB 3.47Å; K309-K313 PolarHBondContact O-N 3.38Å; K309-W328 HydrophobicContact CD-CH2 3.61Å; K309-W328 HydrophobicContact CD-CZ2 3.53Å; K309-W328 HydrophobicContact CD-CZ3 4.39Å; K309-W328 HydrophobicContact CG-CH2 3.76Å; K309-W328 HydrophobicContact CG-CZ2 4.22Å; K309-W328 HydrophobicContact CG-CZ3 4.32Å
310	E	98.3	Very high	97.9	Very high	17 Å²	17	39.6 Å²	39.6	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-72.3	-35.1	168.1	-65.1	-67.3	156.5	0	0	110.9	W302 R306 I307 K313 F314	W302-E310 HydrophobicContact CH2-CB 4.49Å; W302-E310 HydrophobicContact CH2-CG 3.74Å; W302-E310 HydrophobicContact CZ3-CB 4.46Å; W302-E310 HydrophobicContact CZ3-CG 3.96Å; R306-E310 IonicContact CZ-OE1 3.2Å; R306-E310 IonicContact NE-OE1 2.82Å; R306-E310 PolarHBondContact NE-OE1 3.26Å; R306-E310 IonicContact NH2-OE1 2.72Å; R306-E310 PolarHBondContact NH2-OE1 3.21Å; R306-E310 PolarHBondContact O-N 3.21Å; I307-E310 PolarHBondContact O-N 2.63Å; E310-K313 PolarHBondContact O-N 3.44Å; E310-K313 IonicContact OE1-NZ 3.64Å; E310-K313 VanDerWaalsContact OE2-CD 3.27Å; E310-K313 WeakPolarHBondContact OE2-CD 3.29Å; E310-K313 IonicContact OE2-NZ 2.64Å; E310-K313 PolarHBondContact OE2-NZ 3.25Å; E310-F314 PolarHBondContact O-N 3.01Å
311	A	98.3	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-52.2	170.7	0	0	0	0	0	112.1	I307 K313 F314 F315 H373 M376	I307-A311 PolarHBondContact O-N 3.25Å; I307-A311 VanDerWaalsContact O-N 3.11Å; A311-K313 VanDerWaalsContact C-N 3.26Å; A311-K313 PolarHBondContact O-N 2.77Å; A311-F314 WeakPolarHBondContact O-CB 3.43Å; A311-F314 PolarHBondContact O-N 3.49Å; A311-F315 WeakPolarHBondContact O-CD2 3.47Å; A311-F315 PolarHBondContact O-N 2.83Å; A311-H373 WeakPolarHBondContact CA-NE2 3.43Å; A311-M376 HydrophobicContact CB-CE 4.2Å; A311-M376 HydrophobicContact CB-SD 4.04Å
312	E	98.5	Very high	97.9	Very high	18 Å²	18	38.9 Å²	38.9	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-53.2	-45.2	176.6	-179.4	-178	-113.6	0	0	111.6	F308 K309 F314 F315 V316 M323 W328 M376	F308-E312 PolarHBondContact O-N 3.3Å; K309-E312 WeakPolarHBondContact CD-OE2 3.36Å; K309-E312 WeakPolarHBondContact CE-OE2 3.41Å; K309-E312 IonicContact NZ-OE1 2.62Å; K309-E312 PolarHBondContact NZ-OE1 2.85Å; K309-E312 IonicContact NZ-OE2 2.65Å; K309-E312 PolarHBondContact NZ-OE2 2.78Å; E312-F314 PolarHBondContact O-N 3.05Å; E312-F315 PolarHBondContact O-N 2.93Å; E312-V316 VanDerWaalsContact O-CG2 3.25Å; E312-V316 WeakPolarHBondContact O-CG2 3.47Å; E312-V316 PolarHBondContact O-N 3.33Å; E312-M323 HydrophobicContact CG-CG 4.35Å; E312-M323 WeakPolarHBondContact OE1-CB 3.45Å; E312-M323 PolarHBondContact OE1-N 3.04Å; E312-M323 VanDerWaalsContact OE1-N 3.12Å; E312-W328 HydrophobicContact CB-CZ2 4.22Å; E312-W328 PolarHBondContact OE1-NE1 3.47Å; E312-M376 VanDerWaalsContact CA-SD 3.5Å; E312-M376 HydrophobicContact CB-CE 4.3Å; E312-M376 HydrophobicContact CB-SD 4Å; E312-M376 PolarHBondContact N-SD 3.48Å; E312-M376 VanDerWaalsContact N-SD 3.39Å
313	K	98.4	Very high	98	Very high	111 Å²	111	38.9 Å²	38.9	48%	0.483	21%	0.207	S	C	.	.	H	α-helix	trans	-64	-35.9	177.1	174.9	-165.5	168.4	-162.2	0	113.1	K309 E310 A311 V316 S317	K309-K313 VanDerWaalsContact O-CB 3.3Å; K309-K313 WeakPolarHBondContact O-CB 3.47Å; K309-K313 PolarHBondContact O-N 3.38Å; E310-K313 PolarHBondContact O-N 3.44Å; E310-K313 IonicContact OE1-NZ 3.64Å; E310-K313 VanDerWaalsContact OE2-CD 3.27Å; E310-K313 WeakPolarHBondContact OE2-CD 3.29Å; E310-K313 IonicContact OE2-NZ 2.64Å; E310-K313 PolarHBondContact OE2-NZ 3.25Å; A311-K313 VanDerWaalsContact C-N 3.26Å; A311-K313 PolarHBondContact O-N 2.77Å; K313-V316 PolarHBondContact O-N 3.49Å; K313-S317 PolarHBondContact O-N 2.93Å
314	F	98.1	Very high	98	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-49.8	173.2	167.6	-91.3	0	0	0	110.9	E310 A311 E312 V316 S317 M408 H417 I544 S545	E310-F314 PolarHBondContact O-N 3.01Å; A311-F314 WeakPolarHBondContact O-CB 3.43Å; A311-F314 PolarHBondContact O-N 3.49Å; E312-F314 PolarHBondContact O-N 3.05Å; F314-V316 PolarHBondContact O-N 3.03Å; F314-S317 WeakPolarHBondContact O-CB 3.49Å; F314-S317 PolarHBondContact O-N 3.07Å; F314-S317 VanDerWaalsContact O-N 3.14Å; F314-S317 PolarHBondContact O-OG 2.83Å; F314-M408 HydrophobicContact CE1-CB 3.92Å; F314-M408 HydrophobicContact CE1-CG 4.33Å; F314-M408 HydrophobicContact CE1-SD 3.72Å; F314-M408 HydrophobicContact CZ-SD 4.39Å; F314-H417 AromaticContact CD2-CE1 3.74Å; F314-I544 HydrophobicContact CE2-CG1 4.36Å; F314-I544 HydrophobicContact CZ-CD1 4.23Å; F314-I544 HydrophobicContact CZ-CG1 3.91Å; F314-S545 VanDerWaalsContact CD2-OG 3.27Å; F314-S545 WeakPolarHBondContact CD2-OG 3.18Å; F314-S545 VanDerWaalsContact CE2-OG 3.32Å; F314-S545 WeakPolarHBondContact CE2-OG 3.39Å
315	F	97.9	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-43.4	176.9	-66.8	-74.1	0	0	0	112.5	A311 E312 S317 V318 G319 L320 H373 M376 Q380 M408	A311-F315 WeakPolarHBondContact O-CD2 3.47Å; A311-F315 PolarHBondContact O-N 2.83Å; E312-F315 PolarHBondContact O-N 2.93Å; F315-S317 PolarHBondContact O-N 2.95Å; F315-V318 WeakPolarHBondContact O-CG2 3.45Å; F315-V318 PolarHBondContact O-N 3.3Å; F315-V318 VanDerWaalsContact O-N 3.14Å; F315-G319 PolarHBondContact O-N 3.28Å; F315-L320 HydrophobicContact CB-CB 4.14Å; F315-L320 HydrophobicContact CB-CD1 4.42Å; F315-L320 HydrophobicContact CD1-CD1 3.8Å; F315-L320 WeakPolarHBondContact O-CB 3.23Å; F315-L320 PolarHBondContact O-N 3.02Å; F315-L320 VanDerWaalsContact O-N 3.15Å; F315-H373 WeakPolarHBondContact CZ-O 3.4Å; F315-M376 HydrophobicContact CD2-CB 4.45Å; F315-M376 HydrophobicContact CD2-CG 3.78Å; F315-M376 HydrophobicContact CD2-SD 3.6Å; F315-M376 HydrophobicContact CE2-CB 3.66Å; F315-M376 HydrophobicContact CE2-CG 3.48Å; F315-M376 VanDerWaalsContact CE2-CG 3.48Å; F315-M376 HydrophobicContact CE2-SD 3.74Å; F315-M376 HydrophobicContact CZ-CB 4.23Å; F315-M376 HydrophobicContact CZ-CG 4.28Å; F315-Q380 HydrophobicContact CB-CG 4.35Å; F315-Q380 HydrophobicContact CD1-CB 4.46Å; F315-Q380 HydrophobicContact CD1-CG 3.7Å; F315-Q380 HydrophobicContact CD2-CG 4.29Å; F315-Q380 HydrophobicContact CE1-CB 4.5Å; F315-Q380 HydrophobicContact CE1-CG 3.99Å; F315-Q380 HydrophobicContact CG-CG 3.86Å; F315-Q380 HydrophobicContact CZ-CG 4.47Å; F315-M408 HydrophobicContact CD1-CE 4.43Å; F315-M408 HydrophobicContact CD1-SD 4.25Å; F315-M408 HydrophobicContact CE1-CB 4.25Å; F315-M408 HydrophobicContact CE1-CE 3.76Å; F315-M408 HydrophobicContact CE1-CG 3.53Å; F315-M408 HydrophobicContact CE1-SD 3.54Å; F315-M408 VanDerWaalsContact CE1-SD 3.54Å; F315-M408 HydrophobicContact CZ-CB 4.03Å; F315-M408 HydrophobicContact CZ-CG 3.71Å; F315-M408 HydrophobicContact CZ-SD 4.29Å
316	V	98.3	Very high	98.1	Very high	58 Å²	58	39.5 Å²	39.5	35%	0.352	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-33.2	176.1	172.1	0	0	0	0	111.7	E312 K313 F314 V318 G319 L320 N322	E312-V316 VanDerWaalsContact O-CG2 3.25Å; E312-V316 WeakPolarHBondContact O-CG2 3.47Å; E312-V316 PolarHBondContact O-N 3.33Å; K313-V316 PolarHBondContact O-N 3.49Å; F314-V316 PolarHBondContact O-N 3.03Å; V316-V318 VanDerWaalsContact C-N 3.27Å; V316-V318 PolarHBondContact O-N 2.88Å; V316-G319 PolarHBondContact O-N 3.25Å; V316-L320 WeakPolarHBondContact CA-O 3.34Å; V316-N322 VanDerWaalsContact CG2-OD1 3.29Å; V316-N322 WeakPolarHBondContact CG2-OD1 3.42Å
317	S	98	Very high	98.1	Very high	27 Å²	27	35.1 Å²	35.1	19%	0.189	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-31.9	176.8	84.9	0	0	0	0	113.2	K313 F314 F315 G319 N546	K313-S317 PolarHBondContact O-N 2.93Å; F314-S317 WeakPolarHBondContact O-CB 3.49Å; F314-S317 PolarHBondContact O-N 3.07Å; F314-S317 VanDerWaalsContact O-N 3.14Å; F314-S317 PolarHBondContact O-OG 2.83Å; F315-S317 PolarHBondContact O-N 2.95Å; S317-G319 VanDerWaalsContact C-N 3.32Å; S317-N546 CarbonylContact O-C 3.52Å; S317-N546 VanDerWaalsContact O-CA 3.24Å; S317-N546 WeakPolarHBondContact O-CA 3.17Å; S317-N546 PolarHBondContact OG-N 3.05Å
318	V	97.3	Very high	98.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	6.1	175.6	-60.1	0	0	0	0	113	F315 V316 L320 I544 G551	F315-V318 WeakPolarHBondContact O-CG2 3.45Å; F315-V318 PolarHBondContact O-N 3.3Å; F315-V318 VanDerWaalsContact O-N 3.14Å; V316-V318 VanDerWaalsContact C-N 3.27Å; V316-V318 PolarHBondContact O-N 2.88Å; V318-L320 HydrophobicContact CG2-CD1 3.91Å; V318-L320 HydrophobicContact CG2-CG 4.12Å; V318-I544 HydrophobicContact CG1-CG1 4.3Å; V318-I544 VanDerWaalsContact CG1-O 3.25Å; V318-I544 WeakPolarHBondContact CG1-O 3.48Å; V318-G551 WeakPolarHBondContact O-CA 3.44Å
319	G	96.9	Very high	98	Very high	46 Å²	46	43.8 Å²	43.8	47%	0.474	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	16.2	176.7	0	0	0	0	0	115.1	F315 V316 S317	F315-G319 PolarHBondContact O-N 3.28Å; V316-G319 PolarHBondContact O-N 3.25Å; S317-G319 VanDerWaalsContact C-N 3.32Å
320	L	96.9	Very high	98	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-81.2	158.7	168	-67.6	170.2	0	0	0	110.5	F315 V316 V318 L555	F315-L320 HydrophobicContact CB-CB 4.14Å; F315-L320 HydrophobicContact CB-CD1 4.42Å; F315-L320 HydrophobicContact CD1-CD1 3.8Å; F315-L320 WeakPolarHBondContact O-CB 3.23Å; F315-L320 PolarHBondContact O-N 3.02Å; F315-L320 VanDerWaalsContact O-N 3.15Å; V316-L320 WeakPolarHBondContact CA-O 3.34Å; V318-L320 HydrophobicContact CG2-CD1 3.91Å; V318-L320 HydrophobicContact CG2-CG 4.12Å; L320-L555 HydrophobicContact CD2-CB 3.98Å; L320-L555 HydrophobicContact CD2-CD1 3.74Å; L320-L555 HydrophobicContact CD2-CD2 4.21Å; L320-L555 HydrophobicContact CD2-CG 4.18Å
321	P	97.6	Very high	98	Very high	62 Å²	62	43.7 Å²	43.7	40%	0.403	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.8	159.1	-178.4	27.8	-36.5	0	0	0	113.4	Q380 M383	P321-Q380 PolarHBondContact O-NE2 3.49Å; P321-M383 HydrophobicContact CB-CE 4.23Å; P321-M383 HydrophobicContact CG-CE 3.92Å
322	N	98.3	Very high	97.9	Very high	99 Å²	99	44.8 Å²	44.8	53%	0.529	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-61.7	160.3	160.6	-60.6	-65.8	0	0	0	109.9	V316 M383	V316-N322 VanDerWaalsContact CG2-OD1 3.29Å; V316-N322 WeakPolarHBondContact CG2-OD1 3.42Å; N322-M383 WeakPolarHBondContact O-CE 3.28Å
323	M	98.4	Very high	97.8	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.059	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-64	157.9	168.1	-62.5	-71.5	97.1	0	0	111.1	E312 F327 W328 M376 I379 Q380 M383	E312-M323 HydrophobicContact CG-CG 4.35Å; E312-M323 WeakPolarHBondContact OE1-CB 3.45Å; E312-M323 PolarHBondContact OE1-N 3.04Å; E312-M323 VanDerWaalsContact OE1-N 3.12Å; M323-F327 HydrophobicContact CB-CB 4.17Å; M323-F327 HydrophobicContact CB-CD1 3.54Å; M323-F327 HydrophobicContact CB-CE1 4.14Å; M323-F327 HydrophobicContact CB-CG 3.91Å; M323-F327 HydrophobicContact CG-CD1 3.71Å; M323-F327 HydrophobicContact CG-CE1 3.79Å; M323-F327 HydrophobicContact CG-CG 4.19Å; M323-F327 HydrophobicContact CG-CZ 4.31Å; M323-F327 HydrophobicContact SD-CD1 4.19Å; M323-F327 HydrophobicContact SD-CD2 4.09Å; M323-F327 HydrophobicContact SD-CE1 4.2Å; M323-F327 HydrophobicContact SD-CE2 4.09Å; M323-F327 HydrophobicContact SD-CG 4.16Å; M323-F327 HydrophobicContact SD-CZ 4.15Å; M323-W328 HydrophobicContact CG-CZ2 4.37Å; M323-M376 HydrophobicContact CE-CG 3.75Å; M323-M376 HydrophobicContact CE-SD 4.05Å; M323-M376 HydrophobicContact CG-CE 3.8Å; M323-M376 HydrophobicContact CG-CG 4.48Å; M323-M376 HydrophobicContact CG-SD 3.93Å; M323-M376 HydrophobicContact SD-CE 4.06Å; M323-M376 HydrophobicContact SD-CG 3.7Å; M323-M376 HydrophobicContact SD-SD 3.94Å; M323-I379 HydrophobicContact CE-CB 4.49Å; M323-I379 HydrophobicContact CE-CG2 3.94Å; M323-I379 HydrophobicContact SD-CB 4.18Å; M323-I379 HydrophobicContact SD-CG2 3.53Å; M323-I379 VanDerWaalsContact SD-CG2 3.53Å; M323-Q380 HydrophobicContact CE-CG 3.89Å; M323-M383 HydrophobicContact CE-SD 3.89Å
324	T	98.3	Very high	97.6	Very high	39 Å²	39	43.2 Å²	43.2	24%	0.239	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69	162.2	177.6	71.6	0	0	0	0	111.6	G326 F327 F356 M383	T324-G326 VanDerWaalsContact C-N 3.33Å; T324-F327 WeakPolarHBondContact O-CB 3.33Å; T324-F327 PolarHBondContact O-N 3.5Å; T324-F327 WeakPolarHBondContact OG1-CB 3.39Å; T324-F327 PolarHBondContact OG1-N 3.14Å; T324-F356 HydrophobicContact CG2-CD2 3.91Å; T324-F356 HydrophobicContact CG2-CE2 4.33Å; T324-M383 HydrophobicContact CG2-CE 3.96Å; T324-M383 HydrophobicContact CG2-SD 4.26Å
325	Q	98	Very high	97.2	Very high	143 Å²	143	47.2 Å²	47.2	67%	0.668	27%	0.268	S	S	*	.	H	α-helix	trans	-62	-43.6	172.2	180	174.2	-14.6	0	0	111	F327 W328 E329	Q325-F327 VanDerWaalsContact C-N 3.3Å; Q325-F327 PolarHBondContact O-N 2.76Å; Q325-W328 PolarHBondContact O-N 2.95Å; Q325-W328 VanDerWaalsContact O-N 3.12Å; Q325-E329 HydrophobicContact CG-CG 4.36Å; Q325-E329 WeakPolarHBondContact CG-OE1 3.47Å; Q325-E329 PolarHBondContact NE2-OE1 3.13Å; Q325-E329 WeakPolarHBondContact O-CG 3.29Å; Q325-E329 PolarHBondContact O-N 3.31Å; Q325-E329 VanDerWaalsContact O-N 3.12Å
326	G	97.9	Very high	96.6	Very high	20 Å²	20	50 Å²	50	21%	0.206	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-35.9	177.6	0	0	0	0	0	113.6	T324 W328 E329 N330	T324-G326 VanDerWaalsContact C-N 3.33Å; G326-W328 VanDerWaalsContact C-N 3.32Å; G326-W328 PolarHBondContact O-N 3.37Å; G326-E329 PolarHBondContact O-N 3.31Å; G326-N330 WeakPolarHBondContact O-CB 3.31Å; G326-N330 VanDerWaalsContact O-CG 3.3Å; G326-N330 PolarHBondContact O-N 3.05Å; G326-N330 PolarHBondContact O-ND2 3.3Å
327	F	98.6	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.9	-46.6	173.6	171.6	-87.8	0	0	0	112	F308 M323 T324 Q325 S331 F356 I358 M376 I379	F308-F327 HydrophobicContact CD1-CZ 4.33Å; M323-F327 HydrophobicContact CB-CB 4.17Å; M323-F327 HydrophobicContact CB-CD1 3.54Å; M323-F327 HydrophobicContact CB-CE1 4.14Å; M323-F327 HydrophobicContact CB-CG 3.91Å; M323-F327 HydrophobicContact CG-CD1 3.71Å; M323-F327 HydrophobicContact CG-CE1 3.79Å; M323-F327 HydrophobicContact CG-CG 4.19Å; M323-F327 HydrophobicContact CG-CZ 4.31Å; M323-F327 HydrophobicContact SD-CD1 4.19Å; M323-F327 HydrophobicContact SD-CD2 4.09Å; M323-F327 HydrophobicContact SD-CE1 4.2Å; M323-F327 HydrophobicContact SD-CE2 4.09Å; M323-F327 HydrophobicContact SD-CG 4.16Å; M323-F327 HydrophobicContact SD-CZ 4.15Å; T324-F327 WeakPolarHBondContact O-CB 3.33Å; T324-F327 PolarHBondContact O-N 3.5Å; T324-F327 WeakPolarHBondContact OG1-CB 3.39Å; T324-F327 PolarHBondContact OG1-N 3.14Å; Q325-F327 VanDerWaalsContact C-N 3.3Å; Q325-F327 PolarHBondContact O-N 2.76Å; F327-S331 WeakPolarHBondContact O-CB 3.36Å; F327-S331 PolarHBondContact O-N 3.03Å; F327-S331 PolarHBondContact O-OG 3.25Å; F327-F356 VanDerWaalsContact CA-O 3.24Å; F327-F356 WeakPolarHBondContact CA-O 3.19Å; F327-F356 WeakPolarHBondContact CB-O 3.23Å; F327-I358 HydrophobicContact CE2-CB 4.14Å; F327-I358 HydrophobicContact CE2-CD1 3.74Å; F327-I358 HydrophobicContact CE2-CG1 3.87Å; F327-I358 HydrophobicContact CZ-CD1 3.96Å; F327-I358 HydrophobicContact CZ-CG1 4.44Å; F327-M376 HydrophobicContact CE1-CE 4.21Å; F327-M376 HydrophobicContact CZ-CE 4.08Å; F327-I379 HydrophobicContact CD2-CG2 4.39Å; F327-I379 HydrophobicContact CE2-CG1 4.22Å
328	W	98.3	Very high	94.5	Very high	54 Å²	54	55.4 Å²	55.4	21%	0.205	32%	0.316	C	S	.	.	H	α-helix	trans	-75.6	-22.5	-179.3	-70.5	111.7	0	0	0	113.9	F308 K309 E312 M323 Q325 G326 L333	F308-W328 HydrophobicContact CB-CH2 3.65Å; F308-W328 HydrophobicContact CB-CZ3 3.93Å; K309-W328 HydrophobicContact CD-CH2 3.61Å; K309-W328 HydrophobicContact CD-CZ2 3.53Å; K309-W328 HydrophobicContact CD-CZ3 4.39Å; K309-W328 HydrophobicContact CG-CH2 3.76Å; K309-W328 HydrophobicContact CG-CZ2 4.22Å; K309-W328 HydrophobicContact CG-CZ3 4.32Å; E312-W328 HydrophobicContact CB-CZ2 4.22Å; E312-W328 PolarHBondContact OE1-NE1 3.47Å; M323-W328 HydrophobicContact CG-CZ2 4.37Å; Q325-W328 PolarHBondContact O-N 2.95Å; Q325-W328 VanDerWaalsContact O-N 3.12Å; G326-W328 VanDerWaalsContact C-N 3.32Å; G326-W328 PolarHBondContact O-N 3.37Å; W328-L333 HydrophobicContact CE3-CD1 4.29Å; W328-L333 HydrophobicContact CZ3-CD1 3.95Å
329	E	97.8	Very high	93.4	Very high	127 Å²	127	62.4 Å²	62.4	59%	0.593	36%	0.359	S	S	*	.	H	α-helix	trans	-88.5	-30.6	178.5	-70.1	174.4	168.1	0	0	112.8	Q325 G326	Q325-E329 HydrophobicContact CG-CG 4.36Å; Q325-E329 WeakPolarHBondContact CG-OE1 3.47Å; Q325-E329 PolarHBondContact NE2-OE1 3.13Å; Q325-E329 WeakPolarHBondContact O-CG 3.29Å; Q325-E329 PolarHBondContact O-N 3.31Å; Q325-E329 VanDerWaalsContact O-N 3.12Å; G326-E329 PolarHBondContact O-N 3.31Å
330	N	97.9	Very high	92.5	Very high	64 Å²	64	64 Å²	64	34%	0.342	35%	0.354	S	S	.	.	H	α-helix	trans	-109.9	-16.4	-169.2	-61.1	-28.9	0	0	0	115.5	W48 G326 D355 R357	W48-N330 WeakPolarHBondContact CZ2-O 3.45Å; G326-N330 WeakPolarHBondContact O-CB 3.31Å; G326-N330 VanDerWaalsContact O-CG 3.3Å; G326-N330 PolarHBondContact O-N 3.05Å; G326-N330 PolarHBondContact O-ND2 3.3Å; N330-D355 PolarHBondContact ND2-OD1 2.85Å; N330-R357 HydrophobicContact CB-CG 4.03Å
331	S	98.1	Very high	91.6	Very high	23 Å²	23	71 Å²	71	16%	0.161	38%	0.384	C	S	.	.			trans	-74.3	144	-175.2	-64.6	0	0	0	0	113.5	F327 L333 R357 I358	F327-S331 WeakPolarHBondContact O-CB 3.36Å; F327-S331 PolarHBondContact O-N 3.03Å; F327-S331 PolarHBondContact O-OG 3.25Å; S331-L333 PolarHBondContact O-N 3.19Å; S331-R357 WeakPolarHBondContact OG-CA 3.38Å; S331-I358 WeakPolarHBondContact CB-O 3.4Å; S331-I358 PolarHBondContact OG-N 2.85Å
332	M	97	Very high	90.8	Very high	23 Å²	23	69.2 Å²	69.2	11%	0.113	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-96.4	79.1	175.8	-166.5	-169	93.2	0	0	109.7	W48 T52 T334 V342 I358 I359 M360	W48-M332 HydrophobicContact CZ2-CB 4.43Å; T52-M332 HydrophobicContact CG2-CB 4.12Å; T52-M332 HydrophobicContact CG2-SD 3.85Å; M332-T334 VanDerWaalsContact C-N 3.32Å; M332-T334 PolarHBondContact O-N 2.88Å; M332-V342 HydrophobicContact CE-CB 3.92Å; M332-V342 HydrophobicContact CE-CG1 4.22Å; M332-V342 HydrophobicContact CE-CG2 3.72Å; M332-V342 HydrophobicContact SD-CB 4.16Å; M332-V342 HydrophobicContact SD-CG1 3.87Å; M332-V342 HydrophobicContact SD-CG2 4.46Å; M332-I358 PolarHBondContact N-O 2.74Å; M332-I359 HydrophobicContact CE-CG2 3.58Å; M332-I359 HydrophobicContact SD-CG2 4.37Å; M332-M360 PolarHBondContact O-N 3.14Å; M332-M360 VanDerWaalsContact O-O 3.06Å
333	L	96.7	Very high	89.7	Confident	16 Å²	16	66.9 Å²	66.9	8%	0.084	36%	0.361	C	S	.	.			trans	-84.8	1.8	-175.2	-53.6	-177	0	0	0	114.4	A304 F308 W328 S331 I358 M360 T362	A304-L333 WeakPolarHBondContact CB-O 3.39Å; F308-L333 HydrophobicContact CB-CD1 4.26Å; F308-L333 HydrophobicContact CD1-CD1 4.47Å; F308-L333 HydrophobicContact CD1-CD2 4.1Å; F308-L333 HydrophobicContact CD2-CD1 4.16Å; F308-L333 HydrophobicContact CD2-CD2 4.25Å; F308-L333 HydrophobicContact CE1-CD2 3.9Å; F308-L333 HydrophobicContact CE2-CB 4.46Å; F308-L333 HydrophobicContact CE2-CD2 4.05Å; F308-L333 HydrophobicContact CG-CD1 4.03Å; F308-L333 HydrophobicContact CG-CD2 4.29Å; F308-L333 HydrophobicContact CZ-CD2 3.87Å; W328-L333 HydrophobicContact CE3-CD1 4.29Å; W328-L333 HydrophobicContact CZ3-CD1 3.95Å; S331-L333 PolarHBondContact O-N 3.19Å; L333-I358 HydrophobicContact CD2-CB 4.1Å; L333-I358 HydrophobicContact CD2-CG2 4.04Å; L333-M360 CarbonylContact C-O 3.58Å; L333-T362 WeakPolarHBondContact O-CB 3.34Å; L333-T362 PolarHBondContact O-OG1 3.1Å
334	T	94.1	Very high	88.7	Confident	80 Å²	80	68.5 Å²	68.5	49%	0.491	37%	0.373	S	S	.	.	S	Bend	trans	-148.7	151.2	177.3	52.3	0	0	0	0	110.4	A304 M332 M360	A304-T334 HydrophobicContact CB-CG2 3.64Å; M332-T334 VanDerWaalsContact C-N 3.32Å; M332-T334 PolarHBondContact O-N 2.88Å; T334-M360 PolarHBondContact N-O 3.05Å
335	D	88.2	Confident	87.8	Confident	89 Å²	89	71.8 Å²	71.8	48%	0.476	39%	0.385	S	S	.	.			trans	-59.3	124.2	169.1	-179.3	5	0	0	0	110.9	G337 C361	D335-G337 PolarHBondContact O-N 3.35Å; D335-G337 WeakPolarHBondContact OD1-CA 3.43Å; D335-G337 PolarHBondContact OD1-N 2.81Å; D335-C361 HydrophobicContact CB-CB 4.09Å
336	P	86.9	Confident	87.2	Confident	59 Å²	59	66.7 Å²	66.7	38%	0.383	37%	0.365	S	S	.	.			trans	-71.7	-11.9	174.1	30.8	-36.2	0	0	0	113.7	Q340 V342	P336-Q340 HydrophobicContact CB-CB 4.2Å; P336-Q340 HydrophobicContact CB-CG 4.41Å; P336-Q340 HydrophobicContact CG-CB 3.92Å; P336-Q340 HydrophobicContact CG-CG 3.91Å; P336-V342 HydrophobicContact CG-CG1 3.59Å
337	G	81.2	Confident	86.8	Confident	20 Å²	20	67.8 Å²	67.8	21%	0.206	37%	0.368	C	S	.	.			trans	84.2	-178.5	174.2	0	0	0	0	0	115	D335 V339 Q340	D335-G337 PolarHBondContact O-N 3.35Å; D335-G337 WeakPolarHBondContact OD1-CA 3.43Å; D335-G337 PolarHBondContact OD1-N 2.81Å; G337-V339 PolarHBondContact O-N 3.18Å; G337-Q340 PolarHBondContact O-N 3.26Å
338	N	69.6	Low	86.7	Confident	178 Å²	178	69.1 Å²	69.1	95%	0.952	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-14	-157.2	-53.1	7.5	0	0	0	119
339	V	74	Confident	86.6	Confident	151 Å²	151	68.6 Å²	68.6	92%	0.915	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-30.5	-179.8	-174.5	0	0	0	0	111.8	G337	G337-V339 PolarHBondContact O-N 3.18Å
340	Q	78.4	Confident	86.6	Confident	79 Å²	79	64.1 Å²	64.1	37%	0.369	36%	0.356	S	S	.	.	S	Bend	trans	-115.9	107.4	-172.9	-178.3	168.6	-18.5	0	0	109	T52 N53 P336 G337 V342	T52-Q340 PolarHBondContact O-NE2 3.49Å; N53-Q340 HydrophobicContact CB-CG 4.36Å; P336-Q340 HydrophobicContact CB-CB 4.2Å; P336-Q340 HydrophobicContact CB-CG 4.41Å; P336-Q340 HydrophobicContact CG-CB 3.92Å; P336-Q340 HydrophobicContact CG-CG 3.91Å; G337-Q340 PolarHBondContact O-N 3.26Å; Q340-V342 HydrophobicContact CG-CG1 4.14Å
341	K	78.8	Confident	86.5	Confident	154 Å²	154	61 Å²	61	67%	0.67	34%	0.34	S	S	*	.			trans	-75	132.2	177.2	-68.8	-178.5	179.4	-177.6	0	109.5	N53 I54	N53-K341 WeakPolarHBondContact CA-O 3.47Å; I54-K341 HydrophobicContact CB-CB 3.94Å; I54-K341 HydrophobicContact CD1-CB 4.38Å; I54-K341 WeakPolarHBondContact CG1-O 3.46Å; I54-K341 PolarHBondContact N-O 3.1Å
342	V	80.9	Confident	86.4	Confident	23 Å²	23	60 Å²	60	14%	0.139	33%	0.333	C	S	.	.			trans	-135.7	161.2	-177	-53.7	0	0	0	0	111.1	N51 T52 M332 P336 Q340	N51-V342 WeakPolarHBondContact O-CA 3.29Å; T52-V342 VanDerWaalsContact O-CG1 3.3Å; T52-V342 WeakPolarHBondContact O-CG1 3.41Å; M332-V342 HydrophobicContact CE-CB 3.92Å; M332-V342 HydrophobicContact CE-CG1 4.22Å; M332-V342 HydrophobicContact CE-CG2 3.72Å; M332-V342 HydrophobicContact SD-CB 4.16Å; M332-V342 HydrophobicContact SD-CG1 3.87Å; M332-V342 HydrophobicContact SD-CG2 4.46Å; P336-V342 HydrophobicContact CG-CG1 3.59Å; Q340-V342 HydrophobicContact CG-CG1 4.14Å
343	V	75	Confident	86.3	Confident	50 Å²	50	63.9 Å²	63.9	30%	0.303	35%	0.349	S	S	.	.			trans	-86.1	108.1	164.9	179.7	0	0	0	0	107.6	N51 I54 H345 I359	N51-V343 HydrophobicContact CB-CB 4.42Å; N51-V343 HydrophobicContact CB-CG2 4.4Å; N51-V343 PolarHBondContact O-N 3.38Å; N51-V343 WeakPolarHBondContact OD1-CG2 3.31Å; I54-V343 HydrophobicContact CD1-CG2 4Å; V343-H345 VanDerWaalsContact C-N 3.31Å; V343-H345 HydrophobicContact CG1-CB 4.17Å; V343-H345 PolarHBondContact O-N 2.89Å; V343-I359 WeakPolarHBondContact O-CG2 3.47Å
344	C	77.7	Confident	86.3	Confident	47 Å²	47	64.8 Å²	64.8	32%	0.318	36%	0.363	S	S	.	.			trans	-81.7	-1.6	-176.3	-84.7	0	0	0	0	115.3	C361	C344-C361 WeakPolarHBondContact CA-SG 3.45Å; C344-C361 HydrophobicContact CB-CB 3.59Å; C344-C361 WeakPolarHBondContact CB-SG 3.35Å; C344-C361 WeakPolarHBondContact SG-CB 3.49Å; C344-C361 CovalentContact SG-SG 2.04Å; C344-C361 PolarHBondContact SG-SG 2.73Å
345	H	77.9	Confident	86.5	Confident	107 Å²	107	61.8 Å²	61.8	50%	0.495	34%	0.343	S	S	.	.	S	Bend	trans	-65	126.4	-179.6	-168.1	56.6	0	0	0	110.5	V343 T347	V343-H345 VanDerWaalsContact C-N 3.31Å; V343-H345 HydrophobicContact CG1-CB 4.17Å; V343-H345 PolarHBondContact O-N 2.89Å; H345-T347 PolarHBondContact O-N 2.91Å; H345-T347 PolarHBondContact O-OG1 3.24Å
346	P	86.9	Confident	87	Confident	36 Å²	36	58 Å²	58	23%	0.234	32%	0.323	C	S	.	.			trans	-53.3	124.7	176.3	-24.9	33.6	0	0	0	110.9	I359 M360 T371 E375	P346-I359 WeakPolarHBondContact CA-O 3.45Å; P346-M360 HydrophobicContact CB-CG 4.34Å; P346-M360 HydrophobicContact CG-CG 4.24Å; P346-T371 HydrophobicContact CB-CG2 3.64Å; P346-T371 HydrophobicContact CG-CG2 3.75Å; P346-E375 HydrophobicContact CB-CG 4Å
347	T	89.3	Confident	87.6	Confident	44 Å²	44	56 Å²	56	27%	0.27	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	129.6	176.5	43.9	0	0	0	0	111.8	H345 W349 I358 I359 E375	H345-T347 PolarHBondContact O-N 2.91Å; H345-T347 PolarHBondContact O-OG1 3.24Å; T347-W349 VanDerWaalsContact O-CD1 3.31Å; T347-W349 PolarHBondContact OG1-NE1 3.09Å; T347-I358 WeakPolarHBondContact O-CA 3.38Å; T347-I359 PolarHBondContact N-O 2.89Å; T347-I359 PolarHBondContact O-N 2.85Å; T347-E375 VanDerWaalsContact C-OE2 3.28Å; T347-E375 WeakPolarHBondContact CA-OE2 3.48Å
348	A	95.4	Very high	88.4	Confident	27 Å²	27	55 Å²	55	22%	0.223	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	144.8	161.7	0	0	0	0	0	112.1	I358 E375 H378 I379	A348-I358 HydrophobicContact CB-CG1 4.27Å; A348-E375 PolarHBondContact N-OE2 3.1Å; A348-H378 HydrophobicContact CB-CB 3.54Å; A348-I379 HydrophobicContact CB-CD1 3.77Å; A348-I379 HydrophobicContact CB-CG1 4.03Å
349	W	96.9	Very high	89.6	Confident	44 Å²	44	46.6 Å²	46.6	17%	0.167	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	117.7	-176.4	-66.2	67.5	0	0	0	111.2	S47 W48 N51 T347 L351 F356 R357 I359	S47-W349 WeakPolarHBondContact OG-CH2 3.44Å; W48-W349 HydrophobicContact CE3-CB 4.38Å; W48-W349 AromaticContact CE3-CD2 3.99Å; W48-W349 HydrophobicContact CE3-CD2 3.99Å; W48-W349 HydrophobicContact CE3-CE3 4.35Å; W48-W349 AromaticContact CE3-CG 3.99Å; W48-W349 HydrophobicContact CE3-CG 3.99Å; W48-W349 HydrophobicContact CZ3-CB 4.25Å; W48-W349 AromaticContact CZ3-CD1 3.88Å; W48-W349 HydrophobicContact CZ3-CD2 4.34Å; W48-W349 AromaticContact CZ3-CG 3.92Å; W48-W349 HydrophobicContact CZ3-CG 3.92Å; N51-W349 HydrophobicContact CB-CZ2 4.29Å; T347-W349 VanDerWaalsContact O-CD1 3.31Å; T347-W349 PolarHBondContact OG1-NE1 3.09Å; W349-L351 HydrophobicContact CB-CD1 3.78Å; W349-F356 CarbonylContact O-C 3.59Å; W349-F356 WeakPolarHBondContact O-CA 3.43Å; W349-R357 PolarHBondContact N-O 2.87Å; W349-R357 PolarHBondContact O-N 2.85Å; W349-I359 HydrophobicContact CZ2-CD1 3.88Å
350	D	97.7	Very high	90.4	Very high	32 Å²	32	39.6 Å²	39.6	17%	0.171	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.6	152.8	-179.2	15.9	0	0	0	108.5	G352 F356 D382	D350-G352 VanDerWaalsContact OD1-CA 3.3Å; D350-G352 WeakPolarHBondContact OD1-CA 3.31Å; D350-G352 PolarHBondContact OD1-N 3.44Å; D350-F356 HydrophobicContact CB-CD1 4Å; D350-F356 HydrophobicContact CB-CE1 4.14Å; D350-F356 WeakPolarHBondContact OD1-CE1 3.49Å; D350-D382 HydrophobicContact CB-CB 4.2Å
351	L	96.7	Very high	91.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.			trans	-82.4	-6	173.8	-70.8	81.9	0	0	0	111.7	Y41 L45 W48 W349 D355 R357	Y41-L351 WeakPolarHBondContact CA-O 3.24Å; Y41-L351 HydrophobicContact CD2-CB 4.15Å; Y41-L351 WeakPolarHBondContact CD2-O 3.46Å; Y41-L351 HydrophobicContact CE2-CB 4.27Å; L45-L351 HydrophobicContact CB-CD2 4.26Å; L45-L351 HydrophobicContact CD1-CD2 4.04Å; W48-L351 HydrophobicContact CB-CD2 4.26Å; W48-L351 HydrophobicContact CE3-CD1 4.35Å; W349-L351 HydrophobicContact CB-CD1 3.78Å; L351-D355 HydrophobicContact CB-CB 4.3Å; L351-D355 WeakPolarHBondContact CD1-O 3.48Å; L351-D355 PolarHBondContact N-O 2.93Å; L351-R357 HydrophobicContact CD1-CB 4.28Å; L351-R357 HydrophobicContact CD1-CG 3.88Å
352	G	94.9	Very high	91.7	Very high	1 Å²	1	30 Å²	30	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	90.7	170.9	-166.2	0	0	0	0	0	112.2	D350 G354 D355	D350-G352 VanDerWaalsContact OD1-CA 3.3Å; D350-G352 WeakPolarHBondContact OD1-CA 3.31Å; D350-G352 PolarHBondContact OD1-N 3.44Å; G352-G354 PolarHBondContact O-N 3.07Å; G352-D355 PolarHBondContact O-N 3.08Å; G352-D355 VanDerWaalsContact O-N 3.11Å
353	K	95.8	Very high	92.2	Very high	104 Å²	104	35.7 Å²	35.7	45%	0.452	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	14.2	175.4	-55.4	-177	176.3	-171.9	0	116.3	E37 D38 Y41	E37-K353 HydrophobicContact CG-CD 4.49Å; E37-K353 HydrophobicContact CG-CG 3.65Å; E37-K353 WeakPolarHBondContact O-CE 3.34Å; D38-K353 WeakPolarHBondContact OD1-CE 3.48Å; D38-K353 IonicContact OD1-NZ 2.86Å; D38-K353 PolarHBondContact OD1-NZ 2.82Å; Y41-K353 HydrophobicContact CD1-CD 4.45Å; Y41-K353 HydrophobicContact CD2-CB 4.42Å; Y41-K353 HydrophobicContact CD2-CD 4.19Å; Y41-K353 HydrophobicContact CD2-CG 4.38Å; Y41-K353 HydrophobicContact CG-CD 4.05Å
354	G	96.4	Very high	93.2	Very high	36 Å²	36	35.5 Å²	35.5	37%	0.371	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	11.9	-178.1	0	0	0	0	0	115.1	G352 F356	G352-G354 PolarHBondContact O-N 3.07Å; G354-F356 VanDerWaalsContact CA-CE2 3.48Å; G354-F356 VanDerWaalsContact O-CD2 3.31Å; G354-F356 WeakPolarHBondContact O-CD2 3.48Å; G354-F356 PolarHBondContact O-N 2.54Å
355	D	98.4	Very high	93.8	Very high	16 Å²	16	35 Å²	35	9%	0.086	19%	0.187	C	C	.	.			trans	-91	89.2	173.2	-174.7	18.3	0	0	0	109.8	Y41 N330 L351 G352 R357	Y41-D355 HydrophobicContact CE2-CB 3.94Å; N330-D355 PolarHBondContact ND2-OD1 2.85Å; L351-D355 HydrophobicContact CB-CB 4.3Å; L351-D355 WeakPolarHBondContact CD1-O 3.48Å; L351-D355 PolarHBondContact N-O 2.93Å; G352-D355 PolarHBondContact O-N 3.08Å; G352-D355 VanDerWaalsContact O-N 3.11Å; D355-R357 IonicContact OD1-CZ 3.59Å; D355-R357 IonicContact OD1-NE 2.7Å; D355-R357 PolarHBondContact OD1-NE 2.9Å; D355-R357 IonicContact OD1-NH2 2.63Å; D355-R357 IonicContact OD2-CZ 3.68Å; D355-R357 VanDerWaalsContact OD2-CZ 3.3Å; D355-R357 IonicContact OD2-NE 2.63Å; D355-R357 PolarHBondContact OD2-NE 3.24Å; D355-R357 IonicContact OD2-NH2 2.69Å; D355-R357 PolarHBondContact OD2-NH2 3.15Å
356	F	98.4	Very high	94.3	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.039	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.5	178.8	-48.6	-78.3	0	0	0	110.3	T324 F327 W349 D350 G354 I379 D382 M383 A386	T324-F356 HydrophobicContact CG2-CD2 3.91Å; T324-F356 HydrophobicContact CG2-CE2 4.33Å; F327-F356 VanDerWaalsContact CA-O 3.24Å; F327-F356 WeakPolarHBondContact CA-O 3.19Å; F327-F356 WeakPolarHBondContact CB-O 3.23Å; W349-F356 CarbonylContact O-C 3.59Å; W349-F356 WeakPolarHBondContact O-CA 3.43Å; D350-F356 HydrophobicContact CB-CD1 4Å; D350-F356 HydrophobicContact CB-CE1 4.14Å; D350-F356 WeakPolarHBondContact OD1-CE1 3.49Å; G354-F356 VanDerWaalsContact CA-CE2 3.48Å; G354-F356 VanDerWaalsContact O-CD2 3.31Å; G354-F356 WeakPolarHBondContact O-CD2 3.48Å; G354-F356 PolarHBondContact O-N 2.54Å; F356-I379 HydrophobicContact CB-CD1 4.09Å; F356-I379 HydrophobicContact CB-CG2 3.83Å; F356-I379 HydrophobicContact CG-CG2 4.43Å; F356-D382 HydrophobicContact CD1-CB 3.76Å; F356-D382 HydrophobicContact CE1-CB 3.74Å; F356-M383 HydrophobicContact CD1-CG 4.33Å; F356-M383 HydrophobicContact CD2-CG 3.53Å; F356-M383 HydrophobicContact CD2-SD 4.3Å; F356-M383 HydrophobicContact CE1-CG 4.3Å; F356-M383 HydrophobicContact CE2-CB 4.42Å; F356-M383 HydrophobicContact CE2-CG 3.48Å; F356-M383 VanDerWaalsContact CE2-CG 3.48Å; F356-M383 HydrophobicContact CG-CG 3.97Å; F356-M383 HydrophobicContact CZ-CB 4.48Å; F356-M383 HydrophobicContact CZ-CG 3.9Å; F356-A386 HydrophobicContact CZ-CB 3.97Å
357	R	98.6	Very high	94.3	Very high	18 Å²	18	32.1 Å²	32.1	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.5	-173.9	-52.6	-179.2	-170.1	-170	3.6	112.7	W48 N330 S331 W349 L351 D355 I379	W48-R357 VanDerWaalsContact CD1-NH1 3.28Å; W48-R357 HydrophobicContact CE3-CB 4.16Å; W48-R357 HydrophobicContact CH2-CB 3.42Å; W48-R357 VanDerWaalsContact CH2-CB 3.42Å; W48-R357 HydrophobicContact CH2-CG 4.2Å; W48-R357 HydrophobicContact CZ2-CB 4.28Å; W48-R357 HydrophobicContact CZ3-CB 3.34Å; W48-R357 HydrophobicContact CZ3-CG 4.17Å; W48-R357 VanDerWaalsContact NE1-NH1 3.13Å; N330-R357 HydrophobicContact CB-CG 4.03Å; S331-R357 WeakPolarHBondContact OG-CA 3.38Å; W349-R357 PolarHBondContact N-O 2.87Å; W349-R357 PolarHBondContact O-N 2.85Å; L351-R357 HydrophobicContact CD1-CB 4.28Å; L351-R357 HydrophobicContact CD1-CG 3.88Å; D355-R357 IonicContact OD1-CZ 3.59Å; D355-R357 IonicContact OD1-NE 2.7Å; D355-R357 PolarHBondContact OD1-NE 2.9Å; D355-R357 IonicContact OD1-NH2 2.63Å; D355-R357 IonicContact OD2-CZ 3.68Å; D355-R357 VanDerWaalsContact OD2-CZ 3.3Å; D355-R357 IonicContact OD2-NE 2.63Å; D355-R357 PolarHBondContact OD2-NE 3.24Å; D355-R357 IonicContact OD2-NH2 2.69Å; D355-R357 PolarHBondContact OD2-NH2 3.15Å; R357-I379 WeakPolarHBondContact O-CD1 3.45Å
358	I	98.2	Very high	94.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.2	169.4	-75.6	167.5	0	0	0	110.9	F308 F327 S331 M332 L333 T347 A348 M360 E375 M376 I379	F308-I358 HydrophobicContact CE1-CD1 3.81Å; F308-I358 HydrophobicContact CE1-CG2 4.08Å; F308-I358 HydrophobicContact CZ-CG2 4.11Å; F327-I358 HydrophobicContact CE2-CB 4.14Å; F327-I358 HydrophobicContact CE2-CD1 3.74Å; F327-I358 HydrophobicContact CE2-CG1 3.87Å; F327-I358 HydrophobicContact CZ-CD1 3.96Å; F327-I358 HydrophobicContact CZ-CG1 4.44Å; S331-I358 WeakPolarHBondContact CB-O 3.4Å; S331-I358 PolarHBondContact OG-N 2.85Å; M332-I358 PolarHBondContact N-O 2.74Å; L333-I358 HydrophobicContact CD2-CB 4.1Å; L333-I358 HydrophobicContact CD2-CG2 4.04Å; T347-I358 WeakPolarHBondContact O-CA 3.38Å; A348-I358 HydrophobicContact CB-CG1 4.27Å; I358-M360 HydrophobicContact CG2-CB 3.94Å; I358-E375 HydrophobicContact CD1-CB 3.59Å; I358-E375 HydrophobicContact CG1-CB 4.1Å; I358-E375 HydrophobicContact CG2-CB 4.43Å; I358-M376 HydrophobicContact CD1-CB 4.44Å; I358-I379 HydrophobicContact CD1-CG1 3.82Å; I358-I379 HydrophobicContact CG1-CD1 4.13Å; I358-I379 HydrophobicContact CG1-CG1 3.88Å
359	I	94.3	Very high	94.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.3	164.1	-54	-178.2	0	0	0	107.2	W48 N51 T52 M332 V343 P346 T347 W349	W48-I359 HydrophobicContact CD2-CD1 4.43Å; W48-I359 HydrophobicContact CE3-CD1 3.92Å; W48-I359 HydrophobicContact CE3-CG1 3.98Å; W48-I359 HydrophobicContact CH2-CD1 4.17Å; W48-I359 HydrophobicContact CH2-CG1 3.4Å; W48-I359 HydrophobicContact CZ2-CG1 4.14Å; W48-I359 HydrophobicContact CZ3-CD1 3.78Å; W48-I359 HydrophobicContact CZ3-CG1 3.31Å; N51-I359 HydrophobicContact CB-CD1 3.89Å; T52-I359 HydrophobicContact CG2-CD1 3.79Å; T52-I359 HydrophobicContact CG2-CG1 4.12Å; M332-I359 HydrophobicContact CE-CG2 3.58Å; M332-I359 HydrophobicContact SD-CG2 4.37Å; V343-I359 WeakPolarHBondContact O-CG2 3.47Å; P346-I359 WeakPolarHBondContact CA-O 3.45Å; T347-I359 PolarHBondContact N-O 2.89Å; T347-I359 PolarHBondContact O-N 2.85Å; W349-I359 HydrophobicContact CZ2-CD1 3.88Å
360	M	92.6	Very high	94.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.02	15%	0.153	C	C	.	.			trans	-156.8	124.7	175.7	-175	176.3	174.4	0	0	110.8	F308 M332 L333 T334 P346 I358 T362 D368 T371	F308-M360 HydrophobicContact CE2-SD 4.17Å; F308-M360 HydrophobicContact CZ-CB 4.43Å; F308-M360 HydrophobicContact CZ-SD 3.78Å; M332-M360 PolarHBondContact O-N 3.14Å; M332-M360 VanDerWaalsContact O-O 3.06Å; L333-M360 CarbonylContact C-O 3.58Å; T334-M360 PolarHBondContact N-O 3.05Å; P346-M360 HydrophobicContact CB-CG 4.34Å; P346-M360 HydrophobicContact CG-CG 4.24Å; I358-M360 HydrophobicContact CG2-CB 3.94Å; M360-T362 HydrophobicContact CE-CG2 4.07Å; M360-T362 WeakPolarHBondContact CG-OG1 3.35Å; M360-T362 PolarHBondContact O-N 2.75Å; M360-T362 PolarHBondContact O-OG1 3.02Å; M360-T362 HydrophobicContact SD-CG2 4.42Å; M360-D368 HydrophobicContact CE-CB 3.74Å; M360-D368 WeakPolarHBondContact CE-OD2 3.48Å; M360-T371 HydrophobicContact CE-CG2 3.66Å; M360-T371 HydrophobicContact SD-CG2 3.84Å
361	C	91.7	Very high	94.1	Very high	16 Å²	16	29.2 Å²	29.2	11%	0.108	16%	0.157	C	C	.	.			trans	-79.7	57.9	174.9	-67.6	0	0	0	0	111.9	D335 C344 K363	D335-C361 HydrophobicContact CB-CB 4.09Å; C344-C361 WeakPolarHBondContact CA-SG 3.45Å; C344-C361 HydrophobicContact CB-CB 3.59Å; C344-C361 WeakPolarHBondContact CB-SG 3.35Å; C344-C361 WeakPolarHBondContact SG-CB 3.49Å; C344-C361 CovalentContact SG-SG 2.04Å; C344-C361 PolarHBondContact SG-SG 2.73Å; C361-K363 PolarHBondContact O-N 3.3Å
362	T	92.1	Very high	94.2	Very high	16 Å²	16	29.2 Å²	29.2	10%	0.098	16%	0.157	C	C	.	.			trans	-58.1	124.5	-165.3	-40.5	0	0	0	0	113.6	A304 I307 F308 L333 M360 D368	A304-T362 HydrophobicContact CB-CG2 4.01Å; I307-T362 HydrophobicContact CD1-CG2 4.14Å; F308-T362 HydrophobicContact CE2-CG2 4.09Å; L333-T362 WeakPolarHBondContact O-CB 3.34Å; L333-T362 PolarHBondContact O-OG1 3.1Å; M360-T362 HydrophobicContact CE-CG2 4.07Å; M360-T362 WeakPolarHBondContact CG-OG1 3.35Å; M360-T362 PolarHBondContact O-N 2.75Å; M360-T362 PolarHBondContact O-OG1 3.02Å; M360-T362 HydrophobicContact SD-CG2 4.42Å; T362-D368 WeakPolarHBondContact CA-OD2 3.38Å; T362-D368 HydrophobicContact CG2-CB 4.21Å
363	K	91.1	Very high	94.3	Very high	142 Å²	142	29.1 Å²	29.1	62%	0.617	16%	0.157	S	C	*	.			trans	-98.8	163.1	171.5	-61.8	162.4	-169.6	166.1	0	109.8	C361 T365 D368	C361-K363 PolarHBondContact O-N 3.3Å; K363-T365 VanDerWaalsContact C-N 3.32Å; K363-T365 HydrophobicContact CB-CG2 3.97Å; K363-T365 PolarHBondContact O-N 2.71Å; K363-T365 VanDerWaalsContact O-N 3.1Å; K363-D368 PolarHBondContact N-OD2 3.05Å; K363-D368 WeakPolarHBondContact O-CB 3.38Å
364	V	95.8	Very high	94.3	Very high	45 Å²	45	24.8 Å²	24.8	27%	0.273	14%	0.138	S	C	.	.	S	Bend	trans	-87.2	76	176.8	-172	0	0	0	0	108.7	M297 V298 W302	M297-V364 HydrophobicContact CB-CG1 3.78Å; M297-V364 HydrophobicContact CE-CG1 4.19Å; V298-V364 HydrophobicContact CG2-CB 4.26Å; V298-V364 HydrophobicContact CG2-CG1 3.87Å; W302-V364 HydrophobicContact CB-CG1 4.28Å; W302-V364 WeakPolarHBondContact O-CG2 3.14Å
365	T	90.1	Very high	94.3	Very high	36 Å²	36	23.9 Å²	23.9	22%	0.221	12%	0.124	C	C	.	.	S	Bend	trans	-132.3	161	179	78.8	0	0	0	0	111.1	T294 M297 K363 D367 D368 F369	T294-T365 WeakPolarHBondContact OG1-CA 3.41Å; M297-T365 WeakPolarHBondContact CE-O 3.23Å; K363-T365 VanDerWaalsContact C-N 3.32Å; K363-T365 HydrophobicContact CB-CG2 3.97Å; K363-T365 PolarHBondContact O-N 2.71Å; K363-T365 VanDerWaalsContact O-N 3.1Å; T365-D367 VanDerWaalsContact C-N 3.33Å; T365-D367 PolarHBondContact OG1-N 3.15Å; T365-D368 WeakPolarHBondContact OG1-CB 3.37Å; T365-D368 PolarHBondContact OG1-N 2.88Å; T365-D368 PolarHBondContact OG1-OD1 2.76Å; T365-F369 WeakPolarHBondContact O-CB 3.48Å; T365-F369 PolarHBondContact O-N 2.85Å; T365-F369 VanDerWaalsContact O-N 3.09Å
366	M	89.9	Confident	94.3	Very high	11 Å²	11	23.1 Å²	23.1	5%	0.054	12%	0.12	C	C	.	.	H	α-helix	trans	-60.8	-43	170.5	-178.6	-176.2	-165.3	0	0	111.6	I291 V293 T294 F369 L370 L418	I291-M366 HydrophobicContact CG2-CE 4.49Å; I291-M366 WeakPolarHBondContact O-CE 3.37Å; V293-M366 HydrophobicContact CG2-CB 3.86Å; V293-M366 HydrophobicContact CG2-CG 3.72Å; V293-M366 HydrophobicContact CG2-SD 4.31Å; T294-M366 PolarHBondContact OG1-N 3.08Å; M366-F369 WeakPolarHBondContact O-CB 3.27Å; M366-F369 PolarHBondContact O-N 2.59Å; M366-F369 VanDerWaalsContact O-N 3.17Å; M366-L370 HydrophobicContact CE-CD1 4.38Å; M366-L370 HydrophobicContact CG-CD1 4.5Å; M366-L370 WeakPolarHBondContact O-CG 3.11Å; M366-L370 PolarHBondContact O-N 2.85Å; M366-L418 HydrophobicContact CE-CD1 3.87Å
367	D	86.7	Confident	94.2	Very high	73 Å²	73	22.7 Å²	22.7	39%	0.39	12%	0.118	S	C	.	.	H	α-helix	trans	-69.5	-40.8	-173.6	-61.7	-29.2	0	0	0	110.3	T365 F369 L370 T371 K441	T365-D367 VanDerWaalsContact C-N 3.33Å; T365-D367 PolarHBondContact OG1-N 3.15Å; D367-F369 VanDerWaalsContact C-N 3.33Å; D367-F369 PolarHBondContact O-N 2.99Å; D367-L370 PolarHBondContact O-N 3.49Å; D367-T371 PolarHBondContact O-N 3.44Å; D367-T371 PolarHBondContact O-OG1 3.26Å; D367-K441 IonicContact OD1-NZ 2.76Å; D367-K441 PolarHBondContact OD1-NZ 2.89Å; D367-K441 IonicContact OD2-NZ 2.66Å
368	D	91.6	Very high	94.1	Very high	28 Å²	28	22.9 Å²	22.9	15%	0.15	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-35.2	169.9	-73.5	74.3	0	0	0	112.4	M360 T362 K363 T365 L370 T371 A372	M360-D368 HydrophobicContact CE-CB 3.74Å; M360-D368 WeakPolarHBondContact CE-OD2 3.48Å; T362-D368 WeakPolarHBondContact CA-OD2 3.38Å; T362-D368 HydrophobicContact CG2-CB 4.21Å; K363-D368 PolarHBondContact N-OD2 3.05Å; K363-D368 WeakPolarHBondContact O-CB 3.38Å; T365-D368 WeakPolarHBondContact OG1-CB 3.37Å; T365-D368 PolarHBondContact OG1-N 2.88Å; T365-D368 PolarHBondContact OG1-OD1 2.76Å; D368-L370 VanDerWaalsContact C-N 3.34Å; D368-T371 PolarHBondContact O-N 3.46Å; D368-A372 PolarHBondContact O-N 2.88Å
369	F	96.3	Very high	94.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-37.8	174.1	162.5	-87.8	0	0	0	112.3	M297 W302 I307 T365 M366 D367 H373 A412 L418 I421	M297-F369 HydrophobicContact CE-CB 3.85Å; M297-F369 HydrophobicContact SD-CB 4.18Å; W302-F369 HydrophobicContact CH2-CE2 4.48Å; W302-F369 HydrophobicContact CZ3-CD2 4.06Å; W302-F369 HydrophobicContact CZ3-CE2 4.01Å; I307-F369 HydrophobicContact CG2-CB 4.23Å; I307-F369 HydrophobicContact CG2-CD2 4.26Å; T365-F369 WeakPolarHBondContact O-CB 3.48Å; T365-F369 PolarHBondContact O-N 2.85Å; T365-F369 VanDerWaalsContact O-N 3.09Å; M366-F369 WeakPolarHBondContact O-CB 3.27Å; M366-F369 PolarHBondContact O-N 2.59Å; M366-F369 VanDerWaalsContact O-N 3.17Å; D367-F369 VanDerWaalsContact C-N 3.33Å; D367-F369 PolarHBondContact O-N 2.99Å; F369-H373 AromaticContact CE1-CE1 3.93Å; F369-H373 AromaticContact CE2-CE1 3.5Å; F369-H373 AromaticContact CZ-CE1 3.41Å; F369-H373 VanDerWaalsContact CZ-CE1 3.41Å; F369-H373 WeakPolarHBondContact CZ-CE1 3.21Å; F369-H373 PolarHBondContact O-N 2.84Å; F369-H373 PolarHBondContact O-ND1 2.94Å; F369-A412 HydrophobicContact CE1-CB 4.19Å; F369-L418 HydrophobicContact CE1-CD2 3.97Å; F369-L418 HydrophobicContact CZ-CD2 4.42Å; F369-I421 HydrophobicContact CE2-CD1 3.93Å; F369-I421 HydrophobicContact CZ-CD1 3.55Å
370	L	93.8	Very high	94.3	Very high	16 Å²	16	22.9 Å²	22.9	8%	0.084	12%	0.12	C	C	.	.	H	α-helix	trans	-72.5	-39.8	173.9	-63.6	-179.7	0	0	0	111.8	M366 D367 D368 A372 H373 H374 A412 A413	M366-L370 HydrophobicContact CE-CD1 4.38Å; M366-L370 HydrophobicContact CG-CD1 4.5Å; M366-L370 WeakPolarHBondContact O-CG 3.11Å; M366-L370 PolarHBondContact O-N 2.85Å; D367-L370 PolarHBondContact O-N 3.49Å; D368-L370 VanDerWaalsContact C-N 3.34Å; L370-A372 VanDerWaalsContact C-N 3.31Å; L370-A372 PolarHBondContact O-N 2.97Å; L370-H373 WeakPolarHBondContact O-CB 3.43Å; L370-H373 PolarHBondContact O-N 3.33Å; L370-H373 VanDerWaalsContact O-N 3.09Å; L370-H374 PolarHBondContact O-N 3.01Å; L370-A412 HydrophobicContact CD2-CB 4.09Å; L370-A413 HydrophobicContact CD1-CB 3.91Å; L370-A413 HydrophobicContact CD2-CB 3.78Å
371	T	93.3	Very high	94.6	Very high	41 Å²	41	22.7 Å²	22.7	25%	0.252	12%	0.119	S	C	.	.	H	α-helix	trans	-60.2	-38.8	172.9	-60	0	0	0	0	112.1	P346 M360 D367 D368 H373 H374 E375	P346-T371 HydrophobicContact CB-CG2 3.64Å; P346-T371 HydrophobicContact CG-CG2 3.75Å; M360-T371 HydrophobicContact CE-CG2 3.66Å; M360-T371 HydrophobicContact SD-CG2 3.84Å; D367-T371 PolarHBondContact O-N 3.44Å; D367-T371 PolarHBondContact O-OG1 3.26Å; D368-T371 PolarHBondContact O-N 3.46Å; T371-H373 VanDerWaalsContact C-N 3.26Å; T371-H373 PolarHBondContact O-N 3.41Å; T371-H374 WeakPolarHBondContact O-CA 3.16Å; T371-H374 WeakPolarHBondContact O-CB 3.47Å; T371-H374 PolarHBondContact O-N 2.84Å; T371-E375 HydrophobicContact CG2-CG 4.09Å; T371-E375 PolarHBondContact O-N 3.1Å
372	A	97.3	Very high	94.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-30.9	174.6	0	0	0	0	0	113.3	I307 F308 D368 L370 M376	I307-A372 HydrophobicContact CG2-CB 3.47Å; I307-A372 VanDerWaalsContact CG2-CB 3.47Å; F308-A372 HydrophobicContact CD1-CB 4.16Å; F308-A372 HydrophobicContact CD2-CB 4.04Å; F308-A372 HydrophobicContact CE1-CB 3.86Å; F308-A372 HydrophobicContact CE2-CB 3.74Å; F308-A372 HydrophobicContact CG-CB 4.24Å; F308-A372 HydrophobicContact CZ-CB 3.65Å; D368-A372 PolarHBondContact O-N 2.88Å; L370-A372 VanDerWaalsContact C-N 3.31Å; L370-A372 PolarHBondContact O-N 2.97Å; A372-M376 VanDerWaalsContact O-CB 3.22Å; A372-M376 WeakPolarHBondContact O-CB 3.42Å; A372-M376 PolarHBondContact O-N 3.36Å
373	H	97.8	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73.8	-35.1	169.9	-71.8	73.8	0	0	0	111.9	A311 F315 F369 L370 T371 G377 M408	A311-H373 WeakPolarHBondContact CA-NE2 3.43Å; F315-H373 WeakPolarHBondContact CZ-O 3.4Å; F369-H373 AromaticContact CE1-CE1 3.93Å; F369-H373 AromaticContact CE2-CE1 3.5Å; F369-H373 AromaticContact CZ-CE1 3.41Å; F369-H373 VanDerWaalsContact CZ-CE1 3.41Å; F369-H373 WeakPolarHBondContact CZ-CE1 3.21Å; F369-H373 PolarHBondContact O-N 2.84Å; F369-H373 PolarHBondContact O-ND1 2.94Å; L370-H373 WeakPolarHBondContact O-CB 3.43Å; L370-H373 PolarHBondContact O-N 3.33Å; L370-H373 VanDerWaalsContact O-N 3.09Å; T371-H373 VanDerWaalsContact C-N 3.26Å; T371-H373 PolarHBondContact O-N 3.41Å; H373-G377 PolarHBondContact O-N 3.42Å; H373-G377 VanDerWaalsContact O-N 3.08Å; H373-M408 HydrophobicContact CB-CB 4.16Å
374	H	95.3	Very high	95.5	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.056	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-58.1	176.4	-169.8	93.6	0	0	0	111.8	L370 T371 M376 G377 H378 E402 G405 E406 R518	L370-H374 PolarHBondContact O-N 3.01Å; T371-H374 WeakPolarHBondContact O-CA 3.16Å; T371-H374 WeakPolarHBondContact O-CB 3.47Å; T371-H374 PolarHBondContact O-N 2.84Å; H374-M376 PolarHBondContact O-N 3.18Å; H374-G377 WeakPolarHBondContact O-CA 3.49Å; H374-G377 PolarHBondContact O-N 2.91Å; H374-H378 AromaticContact CD2-CE1 3.91Å; H374-H378 AromaticContact CD2-NE2 3.63Å; H374-H378 AromaticContact NE2-CE1 3.37Å; H374-H378 PolarHBondContact NE2-CE1 3Å; H374-H378 AromaticContact NE2-NE2 3.37Å; H374-H378 PolarHBondContact NE2-NE2 2.98Å; H374-H378 PolarHBondContact O-N 3.11Å; H374-E402 PolarHBondContact CE1-O 3.32Å; H374-E402 IonicContact NE2-OE2 3.53Å; H374-G405 VanDerWaalsContact ND1-C 3.26Å; H374-G405 WeakPolarHBondContact O-CA 3.45Å; H374-E406 IonicContact CE1-OE1 3.72Å; H374-E406 PolarHBondContact ND1-N 3.39Å; H374-E406 IonicContact ND1-OE1 3.66Å; H374-E406 PolarHBondContact ND1-OE1 3Å; H374-R518 PolarHBondContact CE1-NH2 3Å
375	E	96.5	Very high	95.6	Very high	18 Å²	18	15.9 Å²	15.9	8%	0.084	9%	0.086	C	C	.	.	H	α-helix	trans	-63.6	-38.9	-177.6	-62	-54.2	134.2	0	0	111.8	P346 T347 A348 I358 T371 G377 H378 I379	P346-E375 HydrophobicContact CB-CG 4Å; T347-E375 VanDerWaalsContact C-OE2 3.28Å; T347-E375 WeakPolarHBondContact CA-OE2 3.48Å; A348-E375 PolarHBondContact N-OE2 3.1Å; I358-E375 HydrophobicContact CD1-CB 3.59Å; I358-E375 HydrophobicContact CG1-CB 4.1Å; I358-E375 HydrophobicContact CG2-CB 4.43Å; T371-E375 HydrophobicContact CG2-CG 4.09Å; T371-E375 PolarHBondContact O-N 3.1Å; E375-G377 PolarHBondContact O-N 3.27Å; E375-H378 WeakPolarHBondContact O-CB 3.46Å; E375-H378 PolarHBondContact O-N 2.85Å; E375-H378 VanDerWaalsContact O-N 3.14Å; E375-H378 IonicContact OE2-CD2 3.75Å; E375-I379 PolarHBondContact O-N 3.4Å
376	M	98.4	Very high	96	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.6	-23.8	174	-172.3	175.1	-62.9	0	0	112.3	F308 A311 E312 F315 M323 F327 I358 A372 H374 H378 I379 Q380	F308-M376 HydrophobicContact CB-CE 4.35Å; F308-M376 HydrophobicContact CD1-CE 3.88Å; F308-M376 WeakPolarHBondContact O-CE 3.48Å; A311-M376 HydrophobicContact CB-CE 4.2Å; A311-M376 HydrophobicContact CB-SD 4.04Å; E312-M376 VanDerWaalsContact CA-SD 3.5Å; E312-M376 HydrophobicContact CB-CE 4.3Å; E312-M376 HydrophobicContact CB-SD 4Å; E312-M376 PolarHBondContact N-SD 3.48Å; E312-M376 VanDerWaalsContact N-SD 3.39Å; F315-M376 HydrophobicContact CD2-CB 4.45Å; F315-M376 HydrophobicContact CD2-CG 3.78Å; F315-M376 HydrophobicContact CD2-SD 3.6Å; F315-M376 HydrophobicContact CE2-CB 3.66Å; F315-M376 HydrophobicContact CE2-CG 3.48Å; F315-M376 VanDerWaalsContact CE2-CG 3.48Å; F315-M376 HydrophobicContact CE2-SD 3.74Å; F315-M376 HydrophobicContact CZ-CB 4.23Å; F315-M376 HydrophobicContact CZ-CG 4.28Å; M323-M376 HydrophobicContact CE-CG 3.75Å; M323-M376 HydrophobicContact CE-SD 4.05Å; M323-M376 HydrophobicContact CG-CE 3.8Å; M323-M376 HydrophobicContact CG-CG 4.48Å; M323-M376 HydrophobicContact CG-SD 3.93Å; M323-M376 HydrophobicContact SD-CE 4.06Å; M323-M376 HydrophobicContact SD-CG 3.7Å; M323-M376 HydrophobicContact SD-SD 3.94Å; F327-M376 HydrophobicContact CE1-CE 4.21Å; F327-M376 HydrophobicContact CZ-CE 4.08Å; I358-M376 HydrophobicContact CD1-CB 4.44Å; A372-M376 VanDerWaalsContact O-CB 3.22Å; A372-M376 WeakPolarHBondContact O-CB 3.42Å; A372-M376 PolarHBondContact O-N 3.36Å; H374-M376 PolarHBondContact O-N 3.18Å; M376-H378 VanDerWaalsContact C-N 3.34Å; M376-I379 PolarHBondContact O-N 3.39Å; M376-Q380 VanDerWaalsContact O-CG 3.29Å; M376-Q380 WeakPolarHBondContact O-CG 3.18Å; M376-Q380 PolarHBondContact O-N 2.83Å
377	G	97.2	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-35.6	169.5	0	0	0	0	0	113	H373 H374 E375 Y381	H373-G377 PolarHBondContact O-N 3.42Å; H373-G377 VanDerWaalsContact O-N 3.08Å; H374-G377 WeakPolarHBondContact O-CA 3.49Å; H374-G377 PolarHBondContact O-N 2.91Å; E375-G377 PolarHBondContact O-N 3.27Å; G377-Y381 PolarHBondContact O-N 3.42Å
378	H	96.4	Very high	96.8	Very high	21 Å²	21	18.4 Å²	18.4	10%	0.097	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-50.7	169.1	-63	-24.7	0	0	0	111.1	A348 H374 E375 M376 Q380 Y381 D382 H401	A348-H378 HydrophobicContact CB-CB 3.54Å; H374-H378 AromaticContact CD2-CE1 3.91Å; H374-H378 AromaticContact CD2-NE2 3.63Å; H374-H378 AromaticContact NE2-CE1 3.37Å; H374-H378 PolarHBondContact NE2-CE1 3Å; H374-H378 AromaticContact NE2-NE2 3.37Å; H374-H378 PolarHBondContact NE2-NE2 2.98Å; H374-H378 PolarHBondContact O-N 3.11Å; E375-H378 WeakPolarHBondContact O-CB 3.46Å; E375-H378 PolarHBondContact O-N 2.85Å; E375-H378 VanDerWaalsContact O-N 3.14Å; E375-H378 IonicContact OE2-CD2 3.75Å; M376-H378 VanDerWaalsContact C-N 3.34Å; H378-Q380 PolarHBondContact O-N 3.36Å; H378-Y381 CarbonylContact O-C 3.03Å; H378-Y381 WeakPolarHBondContact O-CA 3.16Å; H378-Y381 VanDerWaalsContact O-CB 3.25Å; H378-Y381 WeakPolarHBondContact O-CB 3.48Å; H378-Y381 PolarHBondContact O-N 2.91Å; H378-D382 VanDerWaalsContact O-CG 3.23Å; H378-D382 PolarHBondContact O-N 2.85Å; H378-H401 PolarHBondContact CE1-O 3.41Å; H378-H401 AromaticContact CG-ND1 3.7Å; H378-H401 AromaticContact ND1-ND1 3.46Å; H378-H401 PolarHBondContact ND1-ND1 2.92Å; H378-H401 PolarHBondContact ND1-O 3.33Å
379	I	98.3	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-36.6	180	-58.1	-67.4	0	0	0	111.9	M323 F327 A348 F356 R357 I358 E375 M376 Y381 D382 M383	M323-I379 HydrophobicContact CE-CB 4.49Å; M323-I379 HydrophobicContact CE-CG2 3.94Å; M323-I379 HydrophobicContact SD-CB 4.18Å; M323-I379 HydrophobicContact SD-CG2 3.53Å; M323-I379 VanDerWaalsContact SD-CG2 3.53Å; F327-I379 HydrophobicContact CD2-CG2 4.39Å; F327-I379 HydrophobicContact CE2-CG1 4.22Å; A348-I379 HydrophobicContact CB-CD1 3.77Å; A348-I379 HydrophobicContact CB-CG1 4.03Å; F356-I379 HydrophobicContact CB-CD1 4.09Å; F356-I379 HydrophobicContact CB-CG2 3.83Å; F356-I379 HydrophobicContact CG-CG2 4.43Å; R357-I379 WeakPolarHBondContact O-CD1 3.45Å; I358-I379 HydrophobicContact CD1-CG1 3.82Å; I358-I379 HydrophobicContact CG1-CD1 4.13Å; I358-I379 HydrophobicContact CG1-CG1 3.88Å; E375-I379 PolarHBondContact O-N 3.4Å; M376-I379 PolarHBondContact O-N 3.39Å; I379-Y381 VanDerWaalsContact C-N 3.33Å; I379-Y381 PolarHBondContact O-N 2.95Å; I379-D382 PolarHBondContact O-N 2.81Å; I379-M383 HydrophobicContact CG2-CG 4.24Å; I379-M383 HydrophobicContact CG2-SD 3.88Å; I379-M383 VanDerWaalsContact O-CB 3.27Å; I379-M383 WeakPolarHBondContact O-CB 3.29Å; I379-M383 WeakPolarHBondContact O-CG 3.46Å; I379-M383 PolarHBondContact O-N 3.45Å
380	Q	98.3	Very high	97.1	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-29	173.9	-71.6	-75.6	2.3	0	0	113.5	F315 P321 M323 M376 H378 A384	F315-Q380 HydrophobicContact CB-CG 4.35Å; F315-Q380 HydrophobicContact CD1-CB 4.46Å; F315-Q380 HydrophobicContact CD1-CG 3.7Å; F315-Q380 HydrophobicContact CD2-CG 4.29Å; F315-Q380 HydrophobicContact CE1-CB 4.5Å; F315-Q380 HydrophobicContact CE1-CG 3.99Å; F315-Q380 HydrophobicContact CG-CG 3.86Å; F315-Q380 HydrophobicContact CZ-CG 4.47Å; P321-Q380 PolarHBondContact O-NE2 3.49Å; M323-Q380 HydrophobicContact CE-CG 3.89Å; M376-Q380 VanDerWaalsContact O-CG 3.29Å; M376-Q380 WeakPolarHBondContact O-CG 3.18Å; M376-Q380 PolarHBondContact O-N 2.83Å; H378-Q380 PolarHBondContact O-N 3.36Å; Q380-A384 VanDerWaalsContact O-CB 3.29Å; Q380-A384 WeakPolarHBondContact O-CB 3.34Å; Q380-A384 PolarHBondContact O-N 3.38Å
381	Y	98.1	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73	-48.6	171.9	-154.8	163.5	0	0	0	110.1	G377 H378 I379 M383 A384 Y385 A396 F400 H401 V404 L558	G377-Y381 PolarHBondContact O-N 3.42Å; H378-Y381 CarbonylContact O-C 3.03Å; H378-Y381 WeakPolarHBondContact O-CA 3.16Å; H378-Y381 VanDerWaalsContact O-CB 3.25Å; H378-Y381 WeakPolarHBondContact O-CB 3.48Å; H378-Y381 PolarHBondContact O-N 2.91Å; I379-Y381 VanDerWaalsContact C-N 3.33Å; I379-Y381 PolarHBondContact O-N 2.95Å; Y381-M383 PolarHBondContact O-N 2.93Å; Y381-A384 WeakPolarHBondContact O-CA 3.35Å; Y381-A384 WeakPolarHBondContact O-CB 3.25Å; Y381-A384 PolarHBondContact O-N 3.49Å; Y381-Y385 AromaticContact CD2-CD1 3.44Å; Y381-Y385 HydrophobicContact CD2-CD1 3.44Å; Y381-Y385 VanDerWaalsContact CD2-CD1 3.44Å; Y381-Y385 AromaticContact CD2-CE1 3.71Å; Y381-Y385 HydrophobicContact CD2-CE1 3.71Å; Y381-Y385 AromaticContact CE2-CD1 3.76Å; Y381-Y385 HydrophobicContact CE2-CD1 3.76Å; Y381-Y385 HydrophobicContact CE2-CE1 4.18Å; Y381-Y385 HydrophobicContact CG-CD1 4.28Å; Y381-Y385 HydrophobicContact CG-CE1 4.12Å; Y381-Y385 WeakPolarHBondContact O-CD1 3.36Å; Y381-Y385 PolarHBondContact O-N 3.35Å; Y381-A396 PolarHBondContact OH-N 2.72Å; Y381-F400 HydrophobicContact CE1-CB 4.18Å; Y381-H401 AromaticContact CD1-CD2 3.55Å; Y381-H401 AromaticContact CD1-NE2 3.88Å; Y381-H401 AromaticContact CE1-CD2 3.89Å; Y381-H401 AromaticContact CG-NE2 3.93Å; Y381-V404 HydrophobicContact CD1-CB 4Å; Y381-V404 HydrophobicContact CD1-CG1 4.23Å; Y381-V404 HydrophobicContact CD1-CG2 3.82Å; Y381-V404 HydrophobicContact CE1-CB 4.46Å; Y381-V404 HydrophobicContact CE1-CG2 3.84Å; Y381-L558 HydrophobicContact CD1-CD2 3.9Å; Y381-L558 HydrophobicContact CD2-CB 3.83Å; Y381-L558 HydrophobicContact CD2-CD2 3.65Å; Y381-L558 HydrophobicContact CD2-CG 4.29Å; Y381-L558 HydrophobicContact CE1-CD2 4.1Å; Y381-L558 HydrophobicContact CE2-CB 4.13Å; Y381-L558 HydrophobicContact CE2-CD2 3.89Å; Y381-L558 WeakPolarHBondContact CE2-O 3.34Å; Y381-L558 HydrophobicContact CG-CD2 3.68Å
382	D	97.9	Very high	97.3	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-55.2	-50.7	177.6	-55.2	-32.9	0	0	0	111.3	D350 F356 H378 I379 A384 Y385 A386 H401	D350-D382 HydrophobicContact CB-CB 4.2Å; F356-D382 HydrophobicContact CD1-CB 3.76Å; F356-D382 HydrophobicContact CE1-CB 3.74Å; H378-D382 VanDerWaalsContact O-CG 3.23Å; H378-D382 PolarHBondContact O-N 2.85Å; I379-D382 PolarHBondContact O-N 2.81Å; D382-A384 PolarHBondContact O-N 3.01Å; D382-Y385 PolarHBondContact O-N 3.31Å; D382-Y385 PolarHBondContact OD1-OH 2.92Å; D382-A386 WeakPolarHBondContact O-CB 3.44Å; D382-A386 PolarHBondContact O-N 2.89Å; D382-H401 IonicContact OD1-CE1 3.79Å; D382-H401 PolarHBondContact OD1-CE1 3.14Å; D382-H401 IonicContact OD1-NE2 2.75Å; D382-H401 PolarHBondContact OD1-NE2 2.95Å; D382-H401 VanDerWaalsContact OD1-NE2 3.17Å
383	M	98.4	Very high	97.3	Very high	41 Å²	41	22 Å²	22	20%	0.202	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-28.5	175.2	-73.9	178.9	63.4	0	0	113.4	P321 N322 M323 T324 F356 I379 Y381	P321-M383 HydrophobicContact CB-CE 4.23Å; P321-M383 HydrophobicContact CG-CE 3.92Å; N322-M383 WeakPolarHBondContact O-CE 3.28Å; M323-M383 HydrophobicContact CE-SD 3.89Å; T324-M383 HydrophobicContact CG2-CE 3.96Å; T324-M383 HydrophobicContact CG2-SD 4.26Å; F356-M383 HydrophobicContact CD1-CG 4.33Å; F356-M383 HydrophobicContact CD2-CG 3.53Å; F356-M383 HydrophobicContact CD2-SD 4.3Å; F356-M383 HydrophobicContact CE1-CG 4.3Å; F356-M383 HydrophobicContact CE2-CB 4.42Å; F356-M383 HydrophobicContact CE2-CG 3.48Å; F356-M383 VanDerWaalsContact CE2-CG 3.48Å; F356-M383 HydrophobicContact CG-CG 3.97Å; F356-M383 HydrophobicContact CZ-CB 4.48Å; F356-M383 HydrophobicContact CZ-CG 3.9Å; I379-M383 HydrophobicContact CG2-CG 4.24Å; I379-M383 HydrophobicContact CG2-SD 3.88Å; I379-M383 VanDerWaalsContact O-CB 3.27Å; I379-M383 WeakPolarHBondContact O-CB 3.29Å; I379-M383 WeakPolarHBondContact O-CG 3.46Å; I379-M383 PolarHBondContact O-N 3.45Å; Y381-M383 PolarHBondContact O-N 2.93Å
384	A	98.1	Very high	97.1	Very high	17 Å²	17	25.8 Å²	25.8	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-79.6	-39.5	-179.9	0	0	0	0	0	112.8	Q380 Y381 D382 L555 L558 K559	Q380-A384 VanDerWaalsContact O-CB 3.29Å; Q380-A384 WeakPolarHBondContact O-CB 3.34Å; Q380-A384 PolarHBondContact O-N 3.38Å; Y381-A384 WeakPolarHBondContact O-CA 3.35Å; Y381-A384 WeakPolarHBondContact O-CB 3.25Å; Y381-A384 PolarHBondContact O-N 3.49Å; D382-A384 PolarHBondContact O-N 3.01Å; A384-L555 HydrophobicContact CB-CD1 3.9Å; A384-L558 HydrophobicContact CB-CB 3.56Å; A384-K559 HydrophobicContact CB-CG 4.2Å
385	Y	98.1	Very high	97.1	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.039	15%	0.149	C	C	.	.	H	α-helix	trans	-90.3	-4	177.6	63.3	-120.9	0	0	0	114.6	Y381 D382 A387 Q388 R393 H401	Y381-Y385 AromaticContact CD2-CD1 3.44Å; Y381-Y385 HydrophobicContact CD2-CD1 3.44Å; Y381-Y385 VanDerWaalsContact CD2-CD1 3.44Å; Y381-Y385 AromaticContact CD2-CE1 3.71Å; Y381-Y385 HydrophobicContact CD2-CE1 3.71Å; Y381-Y385 AromaticContact CE2-CD1 3.76Å; Y381-Y385 HydrophobicContact CE2-CD1 3.76Å; Y381-Y385 HydrophobicContact CE2-CE1 4.18Å; Y381-Y385 HydrophobicContact CG-CD1 4.28Å; Y381-Y385 HydrophobicContact CG-CE1 4.12Å; Y381-Y385 WeakPolarHBondContact O-CD1 3.36Å; Y381-Y385 PolarHBondContact O-N 3.35Å; D382-Y385 PolarHBondContact O-N 3.31Å; D382-Y385 PolarHBondContact OD1-OH 2.92Å; Y385-A387 PolarHBondContact O-N 3.36Å; Y385-Q388 WeakPolarHBondContact O-CB 3.41Å; Y385-Q388 VanDerWaalsContact O-CG 3.3Å; Y385-Q388 WeakPolarHBondContact O-CG 3.47Å; Y385-Q388 PolarHBondContact O-N 3.28Å; Y385-R393 VanDerWaalsContact CD2-CA 3.44Å; Y385-R393 HydrophobicContact CD2-CB 3.6Å; Y385-R393 HydrophobicContact CD2-CG 4Å; Y385-R393 HydrophobicContact CE2-CB 3.61Å; Y385-R393 HydrophobicContact CE2-CG 4.43Å; Y385-H401 AromaticContact CE1-NE2 3.54Å; Y385-H401 AromaticContact CZ-NE2 3.86Å; Y385-H401 PolarHBondContact OH-NE2 2.97Å
386	A	97.6	Very high	97	Very high	31 Å²	31	24.6 Å²	24.6	26%	0.256	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-22.3	-178.9	0	0	0	0	0	115.6	F356 D382 Q388 R393	F356-A386 HydrophobicContact CZ-CB 3.97Å; D382-A386 WeakPolarHBondContact O-CB 3.44Å; D382-A386 PolarHBondContact O-N 2.89Å; A386-Q388 VanDerWaalsContact C-N 3.31Å; A386-R393 PolarHBondContact O-NE 3.35Å
387	A	96.9	Very high	96.8	Very high	105 Å²	105	24.6 Å²	24.6	87%	0.868	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.1	174.6	0	0	0	0	0	114.7	Y385	Y385-A387 PolarHBondContact O-N 3.36Å
388	Q	97.8	Very high	96.5	Very high	37 Å²	37	25.4 Å²	25.4	17%	0.173	15%	0.15	C	C	.	.	S	Bend	trans	-75.1	157.3	177	-65	-72	-5.4	0	0	111.6	Y385 A386 L392 R393 K559 L560 S563	Y385-Q388 WeakPolarHBondContact O-CB 3.41Å; Y385-Q388 VanDerWaalsContact O-CG 3.3Å; Y385-Q388 WeakPolarHBondContact O-CG 3.47Å; Y385-Q388 PolarHBondContact O-N 3.28Å; A386-Q388 VanDerWaalsContact C-N 3.31Å; Q388-L392 HydrophobicContact CB-CB 4.3Å; Q388-R393 HydrophobicContact CB-CG 4.13Å; Q388-R393 PolarHBondContact O-NE 2.93Å; Q388-K559 PolarHBondContact NE2-O 3.43Å; Q388-L560 PolarHBondContact NE2-O 3.43Å; Q388-S563 PolarHBondContact NE2-OG 2.89Å
389	P	97.3	Very high	96.4	Very high	38 Å²	38	24.4 Å²	24.4	25%	0.247	15%	0.146	C	C	.	.			trans	-54.4	148.2	166.4	-22.7	33.4	0	0	0	111.6	L391 L392 R393	P389-L391 VanDerWaalsContact C-N 3.28Å; P389-L391 PolarHBondContact O-N 3.46Å; P389-L391 VanDerWaalsContact O-N 3.1Å; P389-L392 HydrophobicContact CG-CD1 4.24Å; P389-L392 PolarHBondContact O-N 3.12Å; P389-R393 PolarHBondContact O-N 2.88Å
390	F	95.8	Very high	96.2	Very high	30 Å²	30	24.4 Å²	24.4	13%	0.132	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-49.9	-45.7	-168.7	179.1	-88.7	0	0	0	113.3	F32 N33 A36 E37 F40 W69 L392 R393	F32-F390 HydrophobicContact CE1-CD1 4.16Å; N33-F390 WeakPolarHBondContact OD1-CB 3.48Å; N33-F390 PolarHBondContact OD1-N 2.9Å; A36-F390 HydrophobicContact CB-CD1 4.23Å; A36-F390 HydrophobicContact CB-CE1 4.42Å; A36-F390 HydrophobicContact CB-CG 4.34Å; E37-F390 HydrophobicContact CB-CD2 4.43Å; F40-F390 HydrophobicContact CB-CE2 3.68Å; F40-F390 HydrophobicContact CB-CZ 3.65Å; F40-F390 AromaticContact CD1-CE2 3.82Å; F40-F390 HydrophobicContact CD1-CE2 3.82Å; F40-F390 HydrophobicContact CD1-CZ 4.07Å; F40-F390 HydrophobicContact CD2-CE2 4.42Å; F40-F390 AromaticContact CD2-CZ 3.86Å; F40-F390 HydrophobicContact CD2-CZ 3.86Å; F40-F390 AromaticContact CG-CE2 3.72Å; F40-F390 HydrophobicContact CG-CE2 3.72Å; F40-F390 AromaticContact CG-CZ 3.58Å; F40-F390 HydrophobicContact CG-CZ 3.58Å; W69-F390 AromaticContact CH2-CE1 3.61Å; W69-F390 HydrophobicContact CH2-CE1 3.61Å; W69-F390 AromaticContact CH2-CZ 3.6Å; W69-F390 HydrophobicContact CH2-CZ 3.6Å; W69-F390 AromaticContact CZ2-CE1 3.95Å; W69-F390 HydrophobicContact CZ2-CE1 3.95Å; W69-F390 AromaticContact CZ2-CZ 3.89Å; W69-F390 HydrophobicContact CZ2-CZ 3.89Å; F390-L392 PolarHBondContact O-N 2.86Å; F390-R393 WeakPolarHBondContact O-CB 3.27Å; F390-R393 PolarHBondContact O-N 2.95Å
391	L	95.2	Very high	95.8	Very high	39 Å²	39	25.9 Å²	25.9	20%	0.204	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-71.9	-9.2	-177.2	-63.4	161.6	0	0	0	114.4	L29 F32 Q96 L100 P389	L29-L391 HydrophobicContact CD2-CD1 4.25Å; F32-L391 HydrophobicContact CD1-CD1 4Å; F32-L391 HydrophobicContact CD1-CG 4.41Å; F32-L391 HydrophobicContact CE1-CD1 3.72Å; F32-L391 HydrophobicContact CE1-CD2 3.88Å; F32-L391 HydrophobicContact CE1-CG 3.72Å; F32-L391 HydrophobicContact CZ-CD1 4.47Å; F32-L391 HydrophobicContact CZ-CD2 4.11Å; F32-L391 HydrophobicContact CZ-CG 4.44Å; Q96-L391 HydrophobicContact CB-CB 4.49Å; Q96-L391 HydrophobicContact CB-CD1 3.91Å; Q96-L391 HydrophobicContact CG-CB 4.15Å; Q96-L391 HydrophobicContact CG-CD1 4.31Å; L100-L391 HydrophobicContact CD1-CD1 3.8Å; L100-L391 HydrophobicContact CD2-CD1 4.15Å; L100-L391 HydrophobicContact CD2-CD2 4.05Å; L100-L391 HydrophobicContact CG-CD1 3.66Å; L100-L391 HydrophobicContact CG-CD2 4.32Å; P389-L391 VanDerWaalsContact C-N 3.28Å; P389-L391 PolarHBondContact O-N 3.46Å; P389-L391 VanDerWaalsContact O-N 3.1Å
392	L	96.4	Very high	95.3	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-110.5	1.9	179.7	-54.1	179.4	0	0	0	112.4	T92 L95 Q96 Q388 P389 F390 N394 K562	T92-L392 HydrophobicContact CG2-CD1 3.51Å; L95-L392 HydrophobicContact CB-CD2 4.04Å; Q96-L392 HydrophobicContact CG-CD1 3.94Å; Q96-L392 HydrophobicContact CG-CD2 4.04Å; Q96-L392 HydrophobicContact CG-CG 3.81Å; Q388-L392 HydrophobicContact CB-CB 4.3Å; P389-L392 HydrophobicContact CG-CD1 4.24Å; P389-L392 PolarHBondContact O-N 3.12Å; F390-L392 PolarHBondContact O-N 2.86Å; L392-N394 PolarHBondContact O-N 3.38Å; L392-N394 VanDerWaalsContact O-N 3.13Å; L392-K562 PolarHBondContact O-N 3.35Å
393	R	96.9	Very high	95.2	Very high	50 Å²	50	26.8 Å²	26.8	19%	0.189	16%	0.156	C	C	.	.			trans	-80	82.5	172.5	-65.6	-173.9	-166.8	164.6	3.4	110.3	E37 Y385 A386 Q388 P389 F390	E37-R393 IonicContact OE1-CZ 3.3Å; E37-R393 VanDerWaalsContact OE1-CZ 3.26Å; E37-R393 IonicContact OE1-NH1 3.62Å; E37-R393 PolarHBondContact OE1-NH1 3.01Å; E37-R393 IonicContact OE1-NH2 3.19Å; E37-R393 PolarHBondContact OE1-NH2 3.46Å; Y385-R393 VanDerWaalsContact CD2-CA 3.44Å; Y385-R393 HydrophobicContact CD2-CB 3.6Å; Y385-R393 HydrophobicContact CD2-CG 4Å; Y385-R393 HydrophobicContact CE2-CB 3.61Å; Y385-R393 HydrophobicContact CE2-CG 4.43Å; A386-R393 PolarHBondContact O-NE 3.35Å; Q388-R393 HydrophobicContact CB-CG 4.13Å; Q388-R393 PolarHBondContact O-NE 2.93Å; P389-R393 PolarHBondContact O-N 2.88Å; F390-R393 WeakPolarHBondContact O-CB 3.27Å; F390-R393 PolarHBondContact O-N 2.95Å
394	N	94.8	Very high	94.9	Very high	79 Å²	79	24.8 Å²	24.8	42%	0.422	15%	0.147	S	C	.	.	S	Bend	trans	-162.6	177	172.7	-146.5	-82.4	0	0	0	110	L392 G561 K562	L392-N394 PolarHBondContact O-N 3.38Å; L392-N394 VanDerWaalsContact O-N 3.13Å; N394-G561 CarbonylContact O-C 3.52Å; N394-G561 WeakPolarHBondContact O-CA 3.48Å; N394-K562 PolarHBondContact O-N 3.21Å
395	G	93.9	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.			trans	-63.5	155.9	164.3	0	0	0	0	0	112.2	N397	G395-N397 PolarHBondContact O-N 3.3Å
396	A	95.3	Very high	94.1	Very high	4 Å²	4	25 Å²	25	3%	0.033	15%	0.145	C	C	.	.	S	Bend	trans	-60.7	-33.1	-179.5	0	0	0	0	0	112.5	Y381 F400 G561 K562 W566 A569	Y381-A396 PolarHBondContact OH-N 2.72Å; A396-F400 HydrophobicContact CB-CD1 3.8Å; A396-F400 HydrophobicContact CB-CE1 3.96Å; A396-F400 HydrophobicContact CB-CG 4.12Å; A396-F400 HydrophobicContact CB-CZ 4.4Å; A396-G561 WeakPolarHBondContact CA-O 3.47Å; A396-G561 PolarHBondContact N-O 3.39Å; A396-K562 WeakPolarHBondContact O-CE 3.43Å; A396-W566 HydrophobicContact CB-CB 3.81Å; A396-A569 HydrophobicContact CB-CB 4.05Å
397	N	94.6	Very high	93.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-147.1	172.3	157.3	68.3	43.8	0	0	0	109.3	D206 Y207 G395 G399 F400 Y521 W566	D206-N397 WeakPolarHBondContact OD2-CA 3.47Å; D206-N397 WeakPolarHBondContact OD2-CB 3.24Å; Y207-N397 HydrophobicContact CD1-CB 4.11Å; Y207-N397 WeakPolarHBondContact CD1-ND2 3.32Å; Y207-N397 HydrophobicContact CE1-CB 4.21Å; G395-N397 PolarHBondContact O-N 3.3Å; N397-G399 PolarHBondContact O-N 3.39Å; N397-G399 VanDerWaalsContact O-N 3.11Å; N397-G399 WeakPolarHBondContact OD1-CA 3.32Å; N397-G399 PolarHBondContact OD1-N 3.29Å; N397-F400 WeakPolarHBondContact O-CB 3.41Å; N397-F400 PolarHBondContact O-N 2.83Å; N397-F400 WeakPolarHBondContact OD1-CD2 3.45Å; N397-F400 PolarHBondContact OD1-N 3.16Å; N397-Y521 PolarHBondContact ND2-OH 3Å; N397-Y521 VanDerWaalsContact ND2-OH 3.08Å; N397-W566 HydrophobicContact CB-CB 4.3Å; N397-W566 HydrophobicContact CB-CG 4.34Å; N397-W566 VanDerWaalsContact ND2-CD2 3.29Å
398	E	90.4	Very high	93.5	Very high	18 Å²	18	18.5 Å²	18.5	8%	0.084	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-23.1	-176.8	60.2	162.9	-157.6	0	0	114.7	D206 Y207 S511 I513 R514	D206-E398 PolarHBondContact OD2-N 3.33Å; Y207-E398 HydrophobicContact CE2-CG 3.78Å; Y207-E398 VanDerWaalsContact OH-CG 3.27Å; Y207-E398 WeakPolarHBondContact OH-CG 3.38Å; Y207-E398 PolarHBondContact OH-OE1 3.08Å; Y207-E398 VanDerWaalsContact OH-OE1 3.07Å; E398-S511 PolarHBondContact OE1-OG 3.42Å; E398-S511 WeakPolarHBondContact OE2-CB 3.15Å; E398-S511 PolarHBondContact OE2-OG 2.99Å; E398-S511 VanDerWaalsContact OE2-OG 3.05Å; E398-I513 WeakPolarHBondContact OE1-CG2 3.39Å; E398-R514 HydrophobicContact CB-CB 4.11Å; E398-R514 HydrophobicContact CG-CB 3.81Å; E398-R514 PolarHBondContact OE1-N 2.86Å; E398-R514 IonicContact OE2-CZ 3.98Å; E398-R514 IonicContact OE2-NE 3.66Å; E398-R514 PolarHBondContact OE2-NE 3.35Å; E398-R514 IonicContact OE2-NH2 2.68Å; E398-R514 PolarHBondContact OE2-NH2 2.93Å
399	G	93.6	Very high	93.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-80.3	-22.2	176	0	0	0	0	0	114	N397 A403 R518	N397-G399 PolarHBondContact O-N 3.39Å; N397-G399 VanDerWaalsContact O-N 3.11Å; N397-G399 WeakPolarHBondContact OD1-CA 3.32Å; N397-G399 PolarHBondContact OD1-N 3.29Å; G399-A403 VanDerWaalsContact O-CB 3.29Å; G399-A403 WeakPolarHBondContact O-CB 3.43Å; G399-A403 PolarHBondContact O-N 2.79Å; G399-A403 VanDerWaalsContact O-N 3.1Å; G399-R518 WeakPolarHBondContact O-CA 3.22Å
400	F	95.3	Very high	92.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-70	-43.7	-179.2	-91.7	-127.6	0	0	0	112.3	Y381 A396 N397 E402 A403 V404 Y521 F525 M557 W566 A569 L570	Y381-F400 HydrophobicContact CE1-CB 4.18Å; A396-F400 HydrophobicContact CB-CD1 3.8Å; A396-F400 HydrophobicContact CB-CE1 3.96Å; A396-F400 HydrophobicContact CB-CG 4.12Å; A396-F400 HydrophobicContact CB-CZ 4.4Å; N397-F400 WeakPolarHBondContact O-CB 3.41Å; N397-F400 PolarHBondContact O-N 2.83Å; N397-F400 WeakPolarHBondContact OD1-CD2 3.45Å; N397-F400 PolarHBondContact OD1-N 3.16Å; F400-E402 PolarHBondContact O-N 3.32Å; F400-A403 PolarHBondContact O-N 3.3Å; F400-V404 WeakPolarHBondContact O-CG2 3.32Å; F400-V404 PolarHBondContact O-N 2.93Å; F400-Y521 AromaticContact CD2-CD2 3.89Å; F400-Y521 HydrophobicContact CD2-CD2 3.89Å; F400-Y521 AromaticContact CD2-CE2 3.74Å; F400-Y521 HydrophobicContact CD2-CE2 3.74Å; F400-Y521 HydrophobicContact CE2-CD2 4.17Å; F400-Y521 HydrophobicContact CE2-CE1 4.27Å; F400-Y521 AromaticContact CE2-CE2 3.89Å; F400-Y521 HydrophobicContact CE2-CE2 3.89Å; F400-Y521 HydrophobicContact CE2-CG 4.49Å; F400-Y521 AromaticContact CE2-CZ 3.93Å; F400-F525 AromaticContact CD1-CZ 3.98Å; F400-F525 HydrophobicContact CD1-CZ 3.98Å; F400-F525 AromaticContact CE1-CZ 3.82Å; F400-F525 HydrophobicContact CE1-CZ 3.82Å; F400-F525 HydrophobicContact CE2-CZ 4.5Å; F400-F525 HydrophobicContact CG-CZ 4.41Å; F400-F525 HydrophobicContact CZ-CZ 4.1Å; F400-M557 HydrophobicContact CD1-CE 4.07Å; F400-M557 HydrophobicContact CD1-SD 3.63Å; F400-M557 HydrophobicContact CE1-CE 4.3Å; F400-M557 HydrophobicContact CE1-CG 4.21Å; F400-M557 HydrophobicContact CE1-SD 3.77Å; F400-W566 HydrophobicContact CE2-CB 4.14Å; F400-W566 HydrophobicContact CE2-CE3 4.16Å; F400-W566 HydrophobicContact CZ-CB 4.3Å; F400-W566 WeakPolarHBondContact CZ-O 3.48Å; F400-A569 HydrophobicContact CE1-CB 3.81Å; F400-A569 HydrophobicContact CZ-CB 4.23Å; F400-L570 HydrophobicContact CZ-CB 3.97Å; F400-L570 HydrophobicContact CZ-CD1 4.41Å
401	H	88.7	Confident	92.6	Very high	32 Å²	32	14.3 Å²	14.3	15%	0.148	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-50.1	-177	-133.9	-96.3	0	0	0	111.5	H378 Y381 D382 Y385 A403 V404	H378-H401 PolarHBondContact CE1-O 3.41Å; H378-H401 AromaticContact CG-ND1 3.7Å; H378-H401 AromaticContact ND1-ND1 3.46Å; H378-H401 PolarHBondContact ND1-ND1 2.92Å; H378-H401 PolarHBondContact ND1-O 3.33Å; Y381-H401 AromaticContact CD1-CD2 3.55Å; Y381-H401 AromaticContact CD1-NE2 3.88Å; Y381-H401 AromaticContact CE1-CD2 3.89Å; Y381-H401 AromaticContact CG-NE2 3.93Å; D382-H401 IonicContact OD1-CE1 3.79Å; D382-H401 PolarHBondContact OD1-CE1 3.14Å; D382-H401 IonicContact OD1-NE2 2.75Å; D382-H401 PolarHBondContact OD1-NE2 2.95Å; D382-H401 VanDerWaalsContact OD1-NE2 3.17Å; Y385-H401 AromaticContact CE1-NE2 3.54Å; Y385-H401 AromaticContact CZ-NE2 3.86Å; Y385-H401 PolarHBondContact OH-NE2 2.97Å; H401-A403 PolarHBondContact O-N 3.21Å; H401-V404 PolarHBondContact O-N 3.05Å
402	E	89.3	Confident	92.5	Very high	26 Å²	26	12.5 Å²	12.5	12%	0.121	6%	0.061	C	C	.	.	H	α-helix	trans	-59.1	-40.2	174.8	-76.9	-84.8	-168.5	0	0	112.5	H374 F400 E406 Y515 R518	H374-E402 PolarHBondContact CE1-O 3.32Å; H374-E402 IonicContact NE2-OE2 3.53Å; F400-E402 PolarHBondContact O-N 3.32Å; E402-E406 PolarHBondContact O-N 3.38Å; E402-Y515 VanDerWaalsContact CD-CE1 3.47Å; E402-Y515 WeakPolarHBondContact OE1-CE1 3.36Å; E402-Y515 PolarHBondContact OE1-OH 2.82Å; E402-Y515 VanDerWaalsContact OE1-OH 3.11Å; E402-R518 HydrophobicContact CB-CB 3.87Å; E402-R518 HydrophobicContact CB-CG 3.69Å; E402-R518 IonicContact OE2-CZ 3.26Å; E402-R518 VanDerWaalsContact OE2-CZ 3.23Å; E402-R518 IonicContact OE2-NE 2.69Å; E402-R518 PolarHBondContact OE2-NE 2.82Å; E402-R518 IonicContact OE2-NH2 2.89Å; E402-R518 PolarHBondContact OE2-NH2 2.93Å
403	A	94.6	Very high	92.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-70.4	-33	178.7	0	0	0	0	0	113.6	G399 F400 H401 G405 E406 I407 Q522 F525	G399-A403 VanDerWaalsContact O-CB 3.29Å; G399-A403 WeakPolarHBondContact O-CB 3.43Å; G399-A403 PolarHBondContact O-N 2.79Å; G399-A403 VanDerWaalsContact O-N 3.1Å; F400-A403 PolarHBondContact O-N 3.3Å; H401-A403 PolarHBondContact O-N 3.21Å; A403-G405 VanDerWaalsContact C-N 3.34Å; A403-E406 PolarHBondContact O-N 2.92Å; A403-I407 PolarHBondContact O-N 2.8Å; A403-Q522 HydrophobicContact CB-CB 4.33Å; A403-F525 HydrophobicContact CB-CD2 4.04Å; A403-F525 HydrophobicContact CB-CE2 3.85Å
404	V	93.4	Very high	92	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-69	-31.5	179.7	170.8	0	0	0	0	111.8	Y381 F400 H401 I407 M408 M557 L558	Y381-V404 HydrophobicContact CD1-CB 4Å; Y381-V404 HydrophobicContact CD1-CG1 4.23Å; Y381-V404 HydrophobicContact CD1-CG2 3.82Å; Y381-V404 HydrophobicContact CE1-CB 4.46Å; Y381-V404 HydrophobicContact CE1-CG2 3.84Å; F400-V404 WeakPolarHBondContact O-CG2 3.32Å; F400-V404 PolarHBondContact O-N 2.93Å; H401-V404 PolarHBondContact O-N 3.05Å; V404-I407 VanDerWaalsContact O-CG1 3.29Å; V404-I407 WeakPolarHBondContact O-CG1 3.48Å; V404-M408 HydrophobicContact CG1-CE 4.02Å; V404-M408 VanDerWaalsContact O-CE 3.3Å; V404-M408 WeakPolarHBondContact O-CE 3.44Å; V404-M408 VanDerWaalsContact O-CG 3.29Å; V404-M408 WeakPolarHBondContact O-CG 3.49Å; V404-M557 HydrophobicContact CG2-CE 4.04Å; V404-L558 HydrophobicContact CB-CD2 4.41Å; V404-L558 HydrophobicContact CG1-CD2 3.86Å; V404-L558 HydrophobicContact CG2-CD2 3.65Å
405	G	87.6	Confident	91.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-67.8	-42.8	170.7	0	0	0	0	0	112.8	H374 A403 I407 M408 S409	H374-G405 VanDerWaalsContact ND1-C 3.26Å; H374-G405 WeakPolarHBondContact O-CA 3.45Å; A403-G405 VanDerWaalsContact C-N 3.34Å; G405-I407 PolarHBondContact O-N 3.08Å; G405-M408 WeakPolarHBondContact O-CB 3.28Å; G405-M408 PolarHBondContact O-N 3.05Å; G405-S409 PolarHBondContact O-N 2.72Å
406	E	90.3	Very high	91.5	Very high	30 Å²	30	11.2 Å²	11.2	14%	0.14	5%	0.054	C	C	.	.	H	α-helix	trans	-68	-35.6	-175.1	-75.2	-58.2	160.2	0	0	115	H374 E402 A403 M408 S409 L410 R518 Q522	H374-E406 IonicContact CE1-OE1 3.72Å; H374-E406 PolarHBondContact ND1-N 3.39Å; H374-E406 IonicContact ND1-OE1 3.66Å; H374-E406 PolarHBondContact ND1-OE1 3Å; E402-E406 PolarHBondContact O-N 3.38Å; A403-E406 PolarHBondContact O-N 2.92Å; E406-M408 PolarHBondContact O-N 3.42Å; E406-S409 WeakPolarHBondContact O-CB 3.3Å; E406-S409 PolarHBondContact O-N 2.69Å; E406-L410 WeakPolarHBondContact O-CB 3.38Å; E406-L410 WeakPolarHBondContact O-CG 3.31Å; E406-L410 PolarHBondContact O-N 3.35Å; E406-R518 VanDerWaalsContact CG-CZ 3.44Å; E406-R518 IonicContact OE1-CZ 3.5Å; E406-R518 IonicContact OE1-NH1 2.89Å; E406-R518 PolarHBondContact OE1-NH1 2.73Å; E406-R518 IonicContact OE1-NH2 3.24Å; E406-R518 PolarHBondContact OE1-NH2 3.13Å; E406-Q522 HydrophobicContact CB-CB 3.98Å; E406-Q522 HydrophobicContact CB-CG 4.42Å
407	I	92.4	Very high	91.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.6	-25	178.1	54.2	169.9	0	0	0	113	A403 V404 G405 S411 Q522 F525 Q526 L529 L554	A403-I407 PolarHBondContact O-N 2.8Å; V404-I407 VanDerWaalsContact O-CG1 3.29Å; V404-I407 WeakPolarHBondContact O-CG1 3.48Å; G405-I407 PolarHBondContact O-N 3.08Å; I407-S411 WeakPolarHBondContact O-CB 3.4Å; I407-S411 PolarHBondContact O-N 2.85Å; I407-S411 PolarHBondContact O-OG 3.48Å; I407-Q522 HydrophobicContact CG2-CB 4.13Å; I407-Q522 WeakPolarHBondContact CG2-O 3.09Å; I407-F525 HydrophobicContact CD1-CB 4.44Å; I407-F525 HydrophobicContact CG2-CB 3.98Å; I407-Q526 HydrophobicContact CG2-CB 4.25Å; I407-L529 HydrophobicContact CD1-CD1 3.65Å; I407-L554 HydrophobicContact CD1-CD1 4.03Å; I407-L554 HydrophobicContact CD1-CD2 3.98Å
408	M	90.1	Very high	91.3	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-76.3	-48.8	175.8	-41.9	-57.1	177.7	0	0	110	F314 F315 H373 V404 G405 E406 L410 S411 A412 L554	F314-M408 HydrophobicContact CE1-CB 3.92Å; F314-M408 HydrophobicContact CE1-CG 4.33Å; F314-M408 HydrophobicContact CE1-SD 3.72Å; F314-M408 HydrophobicContact CZ-SD 4.39Å; F315-M408 HydrophobicContact CD1-CE 4.43Å; F315-M408 HydrophobicContact CD1-SD 4.25Å; F315-M408 HydrophobicContact CE1-CB 4.25Å; F315-M408 HydrophobicContact CE1-CE 3.76Å; F315-M408 HydrophobicContact CE1-CG 3.53Å; F315-M408 HydrophobicContact CE1-SD 3.54Å; F315-M408 VanDerWaalsContact CE1-SD 3.54Å; F315-M408 HydrophobicContact CZ-CB 4.03Å; F315-M408 HydrophobicContact CZ-CG 3.71Å; F315-M408 HydrophobicContact CZ-SD 4.29Å; H373-M408 HydrophobicContact CB-CB 4.16Å; V404-M408 HydrophobicContact CG1-CE 4.02Å; V404-M408 VanDerWaalsContact O-CE 3.3Å; V404-M408 WeakPolarHBondContact O-CE 3.44Å; V404-M408 VanDerWaalsContact O-CG 3.29Å; V404-M408 WeakPolarHBondContact O-CG 3.49Å; G405-M408 WeakPolarHBondContact O-CB 3.28Å; G405-M408 PolarHBondContact O-N 3.05Å; E406-M408 PolarHBondContact O-N 3.42Å; M408-L410 PolarHBondContact O-N 2.83Å; M408-S411 PolarHBondContact O-N 3.01Å; M408-A412 VanDerWaalsContact O-CB 3.3Å; M408-A412 WeakPolarHBondContact O-CB 3.4Å; M408-A412 PolarHBondContact O-N 3.14Å; M408-L554 HydrophobicContact CE-CD2 3.5Å
409	S	89.6	Confident	91.4	Very high	15 Å²	15	14.3 Å²	14.3	11%	0.105	7%	0.067	C	C	.	.	H	α-helix	trans	-54	-50.9	172.2	173.7	0	0	0	0	111.9	G405 E406 S411 A412 A413	G405-S409 PolarHBondContact O-N 2.72Å; E406-S409 WeakPolarHBondContact O-CB 3.3Å; E406-S409 PolarHBondContact O-N 2.69Å; S409-S411 VanDerWaalsContact C-N 3.3Å; S409-S411 PolarHBondContact O-N 3.38Å; S409-A412 PolarHBondContact O-N 3.33Å; S409-A413 VanDerWaalsContact O-CB 3.25Å; S409-A413 WeakPolarHBondContact O-CB 3.44Å; S409-A413 PolarHBondContact O-N 3.05Å
410	L	90.1	Very high	91.4	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-55.8	-41.9	177.9	-75.9	177.6	0	0	0	112.8	E406 M408 I446 F523 Y587	E406-L410 WeakPolarHBondContact O-CB 3.38Å; E406-L410 WeakPolarHBondContact O-CG 3.31Å; E406-L410 PolarHBondContact O-N 3.35Å; M408-L410 PolarHBondContact O-N 2.83Å; L410-I446 HydrophobicContact CD2-CD1 4.08Å; L410-F523 HydrophobicContact CD1-CD1 4.27Å; L410-F523 HydrophobicContact CD1-CE1 3.88Å; L410-F523 HydrophobicContact CD1-CZ 4.39Å; L410-F523 HydrophobicContact CD2-CE1 4.35Å; L410-Y587 HydrophobicContact CD2-CE2 4.32Å
411	S	92.6	Very high	91.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-74.1	-45.2	-179.1	-57.3	0	0	0	0	111.6	I407 M408 S409 A413 T414 H417 Q526	I407-S411 WeakPolarHBondContact O-CB 3.4Å; I407-S411 PolarHBondContact O-N 2.85Å; I407-S411 PolarHBondContact O-OG 3.48Å; M408-S411 PolarHBondContact O-N 3.01Å; S409-S411 VanDerWaalsContact C-N 3.3Å; S409-S411 PolarHBondContact O-N 3.38Å; S411-A413 VanDerWaalsContact C-N 3.3Å; S411-A413 PolarHBondContact O-N 2.61Å; S411-T414 WeakPolarHBondContact O-CG2 3.32Å; S411-T414 PolarHBondContact O-N 3.49Å; S411-T414 PolarHBondContact O-OG1 3.03Å; S411-H417 WeakPolarHBondContact O-CB 3.38Å; S411-Q526 PolarHBondContact OG-NE2 3.23Å
412	A	93.2	Very high	91.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-29.2	179.7	0	0	0	0	0	113.2	F369 L370 M408 S409 T414 H417 L418	F369-A412 HydrophobicContact CE1-CB 4.19Å; L370-A412 HydrophobicContact CD2-CB 4.09Å; M408-A412 VanDerWaalsContact O-CB 3.3Å; M408-A412 WeakPolarHBondContact O-CB 3.4Å; M408-A412 PolarHBondContact O-N 3.14Å; S409-A412 PolarHBondContact O-N 3.33Å; A412-T414 VanDerWaalsContact C-N 3.27Å; A412-T414 PolarHBondContact O-N 2.9Å; A412-H417 PolarHBondContact O-CD2 2.74Å; A412-L418 WeakPolarHBondContact O-CD2 3.37Å
413	A	90.9	Very high	91.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.1	176.6	0	0	0	0	0	114.5	L370 S409 S411 F438	L370-A413 HydrophobicContact CD1-CB 3.91Å; L370-A413 HydrophobicContact CD2-CB 3.78Å; S409-A413 VanDerWaalsContact O-CB 3.25Å; S409-A413 WeakPolarHBondContact O-CB 3.44Å; S409-A413 PolarHBondContact O-N 3.05Å; S411-A413 VanDerWaalsContact C-N 3.3Å; S411-A413 PolarHBondContact O-N 2.61Å; A413-F438 HydrophobicContact CB-CE2 4.26Å
414	T	90.6	Very high	91.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.112	C	C	.	.	S	Bend	trans	-69.6	143.2	-177.2	62.7	0	0	0	0	112	S411 A412 K416 H417 L418 C542	S411-T414 WeakPolarHBondContact O-CG2 3.32Å; S411-T414 PolarHBondContact O-N 3.49Å; S411-T414 PolarHBondContact O-OG1 3.03Å; A412-T414 VanDerWaalsContact C-N 3.27Å; A412-T414 PolarHBondContact O-N 2.9Å; T414-K416 PolarHBondContact O-N 3.49Å; T414-H417 PolarHBondContact O-N 3.03Å; T414-H417 VanDerWaalsContact OG1-CB 3.28Å; T414-H417 WeakPolarHBondContact OG1-CB 3.21Å; T414-H417 PolarHBondContact OG1-N 2.96Å; T414-H417 VanDerWaalsContact OG1-N 3.16Å; T414-L418 WeakPolarHBondContact O-CG 3.29Å; T414-L418 PolarHBondContact O-N 2.75Å; T414-C542 WeakPolarHBondContact CG2-O 3.42Å
415	P	88.3	Confident	91.2	Very high	11 Å²	11	22.5 Å²	22.5	7%	0.071	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-34.8	176.3	-19.8	29.8	0	0	0	112.3	I291 L418 K419 L424 F428 E430	I291-P415 HydrophobicContact CD1-CG 3.95Å; I291-P415 HydrophobicContact CG1-CG 4.42Å; I291-P415 HydrophobicContact CG2-CG 4.26Å; P415-L418 PolarHBondContact O-N 3.28Å; P415-K419 WeakPolarHBondContact O-CB 3.28Å; P415-K419 PolarHBondContact O-N 2.95Å; P415-L424 HydrophobicContact CB-CD1 3.77Å; P415-F428 HydrophobicContact CB-CE1 4.02Å; P415-E430 HydrophobicContact CB-CG 3.95Å; P415-E430 HydrophobicContact CG-CG 4.14Å
416	K	89.9	Confident	91.1	Very high	96 Å²	96	27.3 Å²	27.3	42%	0.417	16%	0.164	S	C	.	.	H	α-helix	trans	-51.9	-52.1	169.6	176.7	-175.8	160.9	-160.9	0	112.2	T414 S420 D543	T414-K416 PolarHBondContact O-N 3.49Å; K416-S420 PolarHBondContact O-N 3.26Å; K416-D543 HydrophobicContact CD-CB 3.98Å; K416-D543 HydrophobicContact CG-CB 4.47Å; K416-D543 PolarHBondContact NZ-O 2.9Å
417	H	94.1	Very high	90.9	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.032	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-51.6	178.5	-175.4	83.9	0	0	0	111.5	F314 S411 A412 T414 K419 S420 I421 D543 S545	F314-H417 AromaticContact CD2-CE1 3.74Å; S411-H417 WeakPolarHBondContact O-CB 3.38Å; A412-H417 PolarHBondContact O-CD2 2.74Å; T414-H417 PolarHBondContact O-N 3.03Å; T414-H417 VanDerWaalsContact OG1-CB 3.28Å; T414-H417 WeakPolarHBondContact OG1-CB 3.21Å; T414-H417 PolarHBondContact OG1-N 2.96Å; T414-H417 VanDerWaalsContact OG1-N 3.16Å; H417-K419 PolarHBondContact O-N 3.34Å; H417-S420 WeakPolarHBondContact O-CA 3.43Å; H417-S420 WeakPolarHBondContact O-CB 3.46Å; H417-S420 PolarHBondContact O-N 3Å; H417-S420 PolarHBondContact O-OG 2.91Å; H417-I421 PolarHBondContact O-N 3.19Å; H417-I421 VanDerWaalsContact O-N 3.12Å; H417-D543 IonicContact ND1-OD1 3.37Å; H417-D543 IonicContact ND1-OD2 3.28Å; H417-S545 PolarHBondContact ND1-OG 3.14Å; H417-S545 VanDerWaalsContact ND1-OG 3.1Å
418	L	93.1	Very high	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-33.2	-178.4	-63.4	170.7	0	0	0	112.9	I291 V293 M366 F369 A412 T414 P415 I421 G422 L423 L424	I291-L418 HydrophobicContact CG2-CD1 3.68Å; V293-L418 HydrophobicContact CG1-CB 4.39Å; V293-L418 HydrophobicContact CG1-CD1 4.03Å; V293-L418 HydrophobicContact CG1-CD2 4.24Å; V293-L418 HydrophobicContact CG1-CG 4.45Å; V293-L418 HydrophobicContact CG2-CD2 4.04Å; M366-L418 HydrophobicContact CE-CD1 3.87Å; F369-L418 HydrophobicContact CE1-CD2 3.97Å; F369-L418 HydrophobicContact CZ-CD2 4.42Å; A412-L418 WeakPolarHBondContact O-CD2 3.37Å; T414-L418 WeakPolarHBondContact O-CG 3.29Å; T414-L418 PolarHBondContact O-N 2.75Å; P415-L418 PolarHBondContact O-N 3.28Å; L418-I421 HydrophobicContact CD2-CD1 4.24Å; L418-I421 WeakPolarHBondContact O-CG1 3.37Å; L418-G422 PolarHBondContact O-N 3.38Å; L418-L423 HydrophobicContact CD2-CD1 4.45Å; L418-L423 PolarHBondContact O-N 3.32Å; L418-L424 HydrophobicContact CB-CD1 3.82Å; L418-L424 HydrophobicContact CB-CG 3.83Å; L418-L424 HydrophobicContact CD1-CD1 4.3Å; L418-L424 PolarHBondContact O-N 3.35Å; L418-L424 VanDerWaalsContact O-N 3.13Å
419	K	91.1	Very high	90.1	Very high	80 Å²	80	41.7 Å²	41.7	35%	0.348	24%	0.235	S	C	.	.	H	α-helix	trans	-71.3	-34.7	172.6	-174.9	168.3	-177.8	165.8	0	112.6	P415 H417 G422 L424 P426 F428	P415-K419 WeakPolarHBondContact O-CB 3.28Å; P415-K419 PolarHBondContact O-N 2.95Å; H417-K419 PolarHBondContact O-N 3.34Å; K419-G422 PolarHBondContact O-N 2.82Å; K419-L424 HydrophobicContact CB-CB 4.19Å; K419-P426 WeakPolarHBondContact CE-O 3.28Å; K419-P426 PolarHBondContact NZ-O 3.1Å; K419-F428 PolarHBondContact NZ-O 2.96Å
420	S	93.8	Very high	89.8	Confident	84 Å²	84	44.2 Å²	44.2	59%	0.587	25%	0.245	S	C	*	.	H	α-helix	trans	-70.4	-32.5	176.9	82.7	0	0	0	0	113.6	K416 H417 G422	K416-S420 PolarHBondContact O-N 3.26Å; H417-S420 WeakPolarHBondContact O-CA 3.43Å; H417-S420 WeakPolarHBondContact O-CB 3.46Å; H417-S420 PolarHBondContact O-N 3Å; H417-S420 PolarHBondContact O-OG 2.91Å; S420-G422 VanDerWaalsContact C-N 3.34Å
421	I	95.3	Very high	89.7	Confident	17 Å²	17	46.6 Å²	46.6	9%	0.087	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.1	175.4	64.2	177.4	0	0	0	113.4	W302 F369 H417 L418 L423	W302-I421 HydrophobicContact CH2-CD1 4.25Å; F369-I421 HydrophobicContact CE2-CD1 3.93Å; F369-I421 HydrophobicContact CZ-CD1 3.55Å; H417-I421 PolarHBondContact O-N 3.19Å; H417-I421 VanDerWaalsContact O-N 3.12Å; L418-I421 HydrophobicContact CD2-CD1 4.24Å; L418-I421 WeakPolarHBondContact O-CG1 3.37Å; I421-L423 HydrophobicContact CD1-CD1 3.84Å; I421-L423 HydrophobicContact CD1-CG 4.18Å; I421-L423 HydrophobicContact CG1-CB 4.38Å; I421-L423 HydrophobicContact CG1-CD1 4.39Å; I421-L423 HydrophobicContact CG1-CG 4.18Å
422	G	93.4	Very high	89.6	Confident	38 Å²	38	52.5 Å²	52.5	39%	0.392	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	15.6	175.1	0	0	0	0	0	115.6	Q300 L418 K419 S420	Q300-G422 PolarHBondContact NE2-O 2.7Å; L418-G422 PolarHBondContact O-N 3.38Å; K419-G422 PolarHBondContact O-N 2.82Å; S420-G422 VanDerWaalsContact C-N 3.34Å
423	L	92.8	Very high	89.6	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	-84.4	-25.8	174	-72	-175.5	0	0	0	113.1	V293 A296 M297 W302 L418 I421	V293-L423 HydrophobicContact CB-CB 3.95Å; V293-L423 HydrophobicContact CB-CD1 4.05Å; V293-L423 HydrophobicContact CG1-CB 3.75Å; V293-L423 HydrophobicContact CG2-CD1 3.88Å; A296-L423 HydrophobicContact CB-CD2 4.28Å; A296-L423 VanDerWaalsContact CB-O 3.23Å; A296-L423 WeakPolarHBondContact CB-O 3.44Å; M297-L423 HydrophobicContact CB-CD2 4.4Å; M297-L423 HydrophobicContact CG-CD1 3.66Å; M297-L423 HydrophobicContact CG-CD2 3.55Å; M297-L423 HydrophobicContact CG-CG 4.28Å; M297-L423 HydrophobicContact SD-CD1 4.13Å; W302-L423 HydrophobicContact CD2-CD2 4.28Å; W302-L423 HydrophobicContact CH2-CD1 3.71Å; W302-L423 HydrophobicContact CH2-CD2 4.05Å; W302-L423 HydrophobicContact CH2-CG 3.85Å; W302-L423 HydrophobicContact CZ2-CD1 4.05Å; W302-L423 HydrophobicContact CZ2-CD2 3.5Å; W302-L423 VanDerWaalsContact CZ2-CD2 3.5Å; W302-L423 HydrophobicContact CZ2-CG 3.7Å; W302-L423 HydrophobicContact CZ3-CD1 4.04Å; L418-L423 HydrophobicContact CD2-CD1 4.45Å; L418-L423 PolarHBondContact O-N 3.32Å; I421-L423 HydrophobicContact CD1-CD1 3.84Å; I421-L423 HydrophobicContact CD1-CG 4.18Å; I421-L423 HydrophobicContact CG1-CB 4.38Å; I421-L423 HydrophobicContact CG1-CD1 4.39Å; I421-L423 HydrophobicContact CG1-CG 4.18Å
424	L	89.3	Confident	89.5	Confident	22 Å²	22	55.9 Å²	55.9	12%	0.115	31%	0.306	C	S	.	.	S	Bend	trans	-105.1	148.5	165.9	-67.1	178.8	0	0	0	111.5	I291 V293 P415 L418 K419 F428	I291-L424 HydrophobicContact CG2-CD1 4.35Å; V293-L424 HydrophobicContact CG1-CD2 3.91Å; V293-L424 HydrophobicContact CG1-CG 4.13Å; P415-L424 HydrophobicContact CB-CD1 3.77Å; L418-L424 HydrophobicContact CB-CD1 3.82Å; L418-L424 HydrophobicContact CB-CG 3.83Å; L418-L424 HydrophobicContact CD1-CD1 4.3Å; L418-L424 PolarHBondContact O-N 3.35Å; L418-L424 VanDerWaalsContact O-N 3.13Å; K419-L424 HydrophobicContact CB-CB 4.19Å; L424-F428 HydrophobicContact CD1-CD1 4.2Å; L424-F428 HydrophobicContact CD1-CE1 4.32Å
425	S	85.9	Confident	89.5	Confident	62 Å²	62	57.7 Å²	57.7	43%	0.434	31%	0.314	S	S	.	.			trans	-59.8	142.5	178.6	176.2	0	0	0	0	112.2	D427 F428	S425-D427 PolarHBondContact O-N 3.35Å; S425-D427 PolarHBondContact OG-N 3.14Å; S425-D427 VanDerWaalsContact OG-N 3.16Å; S425-F428 VanDerWaalsContact O-CB 3.26Å; S425-F428 WeakPolarHBondContact O-CB 3.29Å; S425-F428 PolarHBondContact O-N 3.28Å
426	P	86.8	Confident	89.8	Confident	102 Å²	102	57.9 Å²	57.9	66%	0.662	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-28.5	170.2	25.2	-35.1	0	0	0	112.6	K419	K419-P426 WeakPolarHBondContact CE-O 3.28Å; K419-P426 PolarHBondContact NZ-O 3.1Å
427	D	85.8	Confident	89.9	Confident	135 Å²	135	53.5 Å²	53.5	72%	0.722	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.8	179	-56.9	-51.1	0	0	0	113.6	S425 Q429	S425-D427 PolarHBondContact O-N 3.35Å; S425-D427 PolarHBondContact OG-N 3.14Å; S425-D427 VanDerWaalsContact OG-N 3.16Å; D427-Q429 PolarHBondContact O-N 3.12Å
428	F	83.3	Confident	89.8	Confident	34 Å²	34	53.8 Å²	53.8	15%	0.149	30%	0.296	C	S	.	.			trans	-62.5	123.3	174.1	-178.4	-95	0	0	0	109.9	I291 P415 K419 L424 S425 E430 T434	I291-F428 HydrophobicContact CG1-CZ 4.13Å; P415-F428 HydrophobicContact CB-CE1 4.02Å; K419-F428 PolarHBondContact NZ-O 2.96Å; L424-F428 HydrophobicContact CD1-CD1 4.2Å; L424-F428 HydrophobicContact CD1-CE1 4.32Å; S425-F428 VanDerWaalsContact O-CB 3.26Å; S425-F428 WeakPolarHBondContact O-CB 3.29Å; S425-F428 PolarHBondContact O-N 3.28Å; F428-E430 HydrophobicContact CD1-CG 4.48Å; F428-E430 HydrophobicContact CE1-CG 3.89Å; F428-T434 HydrophobicContact CZ-CG2 4.43Å
429	Q	82.6	Confident	89.9	Confident	163 Å²	163	53.8 Å²	53.8	76%	0.762	30%	0.297	S	S	*	.			trans	-108.9	126.6	174.1	-63.4	-176.1	8.7	0	0	108.4	D427	D427-Q429 PolarHBondContact O-N 3.12Å
430	E	83.6	Confident	90.2	Very high	68 Å²	68	50 Å²	50	32%	0.318	28%	0.28	S	S	.	.			trans	-71.1	132.8	168.4	-65.5	167.2	-140.7	0	0	109.1	P415 F428 K541	P415-E430 HydrophobicContact CB-CG 3.95Å; P415-E430 HydrophobicContact CG-CG 4.14Å; F428-E430 HydrophobicContact CD1-CG 4.48Å; F428-E430 HydrophobicContact CE1-CG 3.89Å; E430-K541 WeakPolarHBondContact OE2-CD 3.36Å; E430-K541 WeakPolarHBondContact OE2-CE 3.3Å; E430-K541 IonicContact OE2-NZ 3.76Å; E430-K541 PolarHBondContact OE2-NZ 3.13Å
431	D	88.6	Confident	90	Very high	52 Å²	52	47.3 Å²	47.3	28%	0.278	26%	0.258	S	S	.	.			trans	-131	166.5	168.2	67.4	44.9	0	0	0	111.6	K288 E433 T434 E435	K288-D431 IonicContact NZ-OD1 2.7Å; K288-D431 IonicContact NZ-OD2 3.66Å; K288-D431 PolarHBondContact NZ-OD2 3.2Å; D431-E433 PolarHBondContact O-N 3.11Å; D431-E433 WeakPolarHBondContact OD1-CA 3.44Å; D431-E433 WeakPolarHBondContact OD1-CB 3.37Å; D431-E433 PolarHBondContact OD1-N 3.08Å; D431-T434 PolarHBondContact N-OG1 3.31Å; D431-T434 WeakPolarHBondContact O-CA 3.12Å; D431-T434 PolarHBondContact O-N 2.99Å; D431-T434 PolarHBondContact O-OG1 3.39Å; D431-T434 PolarHBondContact OD1-N 3.47Å; D431-E435 PolarHBondContact O-N 3.4Å
432	N	90.3	Very high	89.9	Confident	125 Å²	125	47.7 Å²	47.7	67%	0.668	26%	0.259	S	S	*	.	H	α-helix	trans	-55.9	-27.8	-176.3	-56.7	25	0	0	0	113.6	I436	N432-I436 WeakPolarHBondContact O-CB 3.36Å; N432-I436 VanDerWaalsContact O-CG1 3.28Å; N432-I436 WeakPolarHBondContact O-CG1 3.48Å; N432-I436 PolarHBondContact O-N 3.21Å; N432-I436 VanDerWaalsContact O-N 3.16Å
433	E	91.9	Very high	90.1	Very high	66 Å²	66	45.9 Å²	45.9	31%	0.308	24%	0.241	S	C	.	.	H	α-helix	trans	-74.3	-42.1	176.3	-63.8	-171.3	178.8	0	0	110.4	F285 Q287 K288 D431 I436 N437	F285-E433 HydrophobicContact CB-CB 4.08Å; F285-E433 HydrophobicContact CD1-CB 4.17Å; F285-E433 HydrophobicContact CD1-CG 3.84Å; F285-E433 HydrophobicContact CD2-CB 3.5Å; F285-E433 VanDerWaalsContact CD2-CB 3.5Å; F285-E433 HydrophobicContact CD2-CG 3.89Å; F285-E433 WeakPolarHBondContact CD2-O 3.41Å; F285-E433 HydrophobicContact CE1-CG 3.85Å; F285-E433 HydrophobicContact CE2-CB 3.91Å; F285-E433 HydrophobicContact CE2-CG 3.91Å; F285-E433 HydrophobicContact CG-CB 3.65Å; F285-E433 HydrophobicContact CG-CG 3.86Å; F285-E433 HydrophobicContact CZ-CB 4.4Å; F285-E433 HydrophobicContact CZ-CG 3.88Å; Q287-E433 PolarHBondContact NE2-OE2 3.46Å; Q287-E433 VanDerWaalsContact NE2-OE2 3.13Å; K288-E433 HydrophobicContact CD-CB 4.45Å; K288-E433 WeakPolarHBondContact CE-OE2 3.33Å; K288-E433 HydrophobicContact CG-CB 4.13Å; K288-E433 IonicContact NZ-OE2 2.68Å; D431-E433 PolarHBondContact O-N 3.11Å; D431-E433 WeakPolarHBondContact OD1-CA 3.44Å; D431-E433 WeakPolarHBondContact OD1-CB 3.37Å; D431-E433 PolarHBondContact OD1-N 3.08Å; E433-I436 PolarHBondContact O-N 3.24Å; E433-N437 WeakPolarHBondContact O-CB 3.5Å; E433-N437 PolarHBondContact O-N 2.9Å
434	T	88.6	Confident	90.3	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-34.6	173.3	61.6	0	0	0	0	113.3	K288 F428 D431 N437 F438	K288-T434 HydrophobicContact CB-CG2 4.27Å; K288-T434 HydrophobicContact CD-CG2 4.18Å; K288-T434 HydrophobicContact CG-CG2 4.37Å; F428-T434 HydrophobicContact CZ-CG2 4.43Å; D431-T434 PolarHBondContact N-OG1 3.31Å; D431-T434 WeakPolarHBondContact O-CA 3.12Å; D431-T434 PolarHBondContact O-N 2.99Å; D431-T434 PolarHBondContact O-OG1 3.39Å; D431-T434 PolarHBondContact OD1-N 3.47Å; T434-N437 PolarHBondContact O-N 3.24Å; T434-F438 WeakPolarHBondContact O-CB 3.32Å; T434-F438 PolarHBondContact O-N 2.97Å
435	E	91.1	Very high	90.3	Very high	39 Å²	39	46.6 Å²	46.6	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-44.8	174.6	-72.1	173.9	-141.3	0	0	111.9	D431 F438 L439 H540 K541	D431-E435 PolarHBondContact O-N 3.4Å; E435-F438 PolarHBondContact O-N 3.41Å; E435-L439 WeakPolarHBondContact O-CB 3.12Å; E435-L439 WeakPolarHBondContact O-CG 3.47Å; E435-L439 PolarHBondContact O-N 3.49Å; E435-H540 IonicContact OE2-NE2 3.28Å; E435-K541 VanDerWaalsContact OE1-CE 3.28Å; E435-K541 WeakPolarHBondContact OE1-CE 3.16Å; E435-K541 IonicContact OE1-NZ 3.97Å; E435-K541 PolarHBondContact OE1-NZ 2.82Å; E435-K541 WeakPolarHBondContact OE2-CE 3.31Å; E435-K541 IonicContact OE2-NZ 3.55Å
436	I	95.6	Very high	90.8	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-36.4	177.7	-70.8	-65.3	0	0	0	111.5	P284 F285 N432 E433 L440 L591 W594	P284-I436 HydrophobicContact CB-CG2 3.97Å; P284-I436 HydrophobicContact CG-CG2 3.86Å; F285-I436 HydrophobicContact CD2-CG2 4.49Å; F285-I436 HydrophobicContact CE2-CB 4.14Å; F285-I436 HydrophobicContact CE2-CG2 3.91Å; N432-I436 WeakPolarHBondContact O-CB 3.36Å; N432-I436 VanDerWaalsContact O-CG1 3.28Å; N432-I436 WeakPolarHBondContact O-CG1 3.48Å; N432-I436 PolarHBondContact O-N 3.21Å; N432-I436 VanDerWaalsContact O-N 3.16Å; E433-I436 PolarHBondContact O-N 3.24Å; I436-L440 WeakPolarHBondContact O-CB 3.34Å; I436-L440 PolarHBondContact O-N 2.76Å; I436-L591 HydrophobicContact CD1-CB 4.47Å; I436-L591 HydrophobicContact CD1-CD1 4.35Å; I436-L591 HydrophobicContact CG2-CD1 4.31Å; I436-W594 HydrophobicContact CD1-CB 3.65Å; I436-W594 HydrophobicContact CD1-CD2 4.5Å; I436-W594 HydrophobicContact CD1-CG 3.91Å; I436-W594 HydrophobicContact CG1-CB 4.46Å; I436-W594 HydrophobicContact CG1-CG 4.23Å; I436-W594 HydrophobicContact CG2-CD2 3.62Å; I436-W594 HydrophobicContact CG2-CE3 3.87Å; I436-W594 HydrophobicContact CG2-CG 4.04Å; I436-W594 HydrophobicContact CG2-CH2 4.33Å; I436-W594 HydrophobicContact CG2-CZ2 4.13Å; I436-W594 HydrophobicContact CG2-CZ3 4.21Å
437	N	92.1	Very high	91.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-51.2	168.9	-84.2	4.7	0	0	0	111.3	Y279 P284 F285 E433 T434 L440 K441	Y279-N437 WeakPolarHBondContact CE2-O 3.44Å; Y279-N437 WeakPolarHBondContact OH-CB 3.48Å; Y279-N437 PolarHBondContact OH-O 2.81Å; P284-N437 WeakPolarHBondContact CB-OD1 3.47Å; P284-N437 VanDerWaalsContact CD-OD1 3.29Å; P284-N437 WeakPolarHBondContact CD-OD1 3.41Å; F285-N437 PolarHBondContact N-OD1 3.27Å; F285-N437 PolarHBondContact O-ND2 3.01Å; E433-N437 WeakPolarHBondContact O-CB 3.5Å; E433-N437 PolarHBondContact O-N 2.9Å; T434-N437 PolarHBondContact O-N 3.24Å; N437-L440 PolarHBondContact O-N 3.07Å; N437-K441 PolarHBondContact O-N 2.98Å; N437-K441 VanDerWaalsContact O-N 3.12Å
438	F	90.9	Very high	91.9	Very high	13 Å²	13	32.9 Å²	32.9	6%	0.057	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-51.9	177.8	173.1	-100.5	0	0	0	112.3	I291 A413 T434 E435 L440 K441 Q442 H540 Y587	I291-F438 HydrophobicContact CD1-CB 3.92Å; I291-F438 HydrophobicContact CD1-CD2 4.46Å; A413-F438 HydrophobicContact CB-CE2 4.26Å; T434-F438 WeakPolarHBondContact O-CB 3.32Å; T434-F438 PolarHBondContact O-N 2.97Å; E435-F438 PolarHBondContact O-N 3.41Å; F438-L440 PolarHBondContact O-N 3.04Å; F438-K441 PolarHBondContact O-N 3.09Å; F438-K441 VanDerWaalsContact O-N 3.11Å; F438-Q442 HydrophobicContact CD1-CG 4.26Å; F438-Q442 HydrophobicContact CD2-CG 4.45Å; F438-Q442 HydrophobicContact CE1-CG 3.84Å; F438-Q442 HydrophobicContact CE2-CG 4.06Å; F438-Q442 HydrophobicContact CZ-CG 3.73Å; F438-Q442 WeakPolarHBondContact O-CG 3.14Å; F438-Q442 PolarHBondContact O-N 3.44Å; F438-H540 HydrophobicContact CE1-CB 4.46Å; F438-Y587 WeakPolarHBondContact CE1-OH 3.45Å
439	L	95.1	Very high	92.5	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-33.9	-179.7	-75.2	171.1	0	0	0	111.9	E435 A443 H540 Y587 F588 P590 L591	E435-L439 WeakPolarHBondContact O-CB 3.12Å; E435-L439 WeakPolarHBondContact O-CG 3.47Å; E435-L439 PolarHBondContact O-N 3.49Å; L439-A443 VanDerWaalsContact O-CB 3.29Å; L439-A443 WeakPolarHBondContact O-CB 3.28Å; L439-A443 PolarHBondContact O-N 3.4Å; L439-H540 HydrophobicContact CD2-CB 3.79Å; L439-Y587 HydrophobicContact CD2-CD1 4.03Å; L439-Y587 HydrophobicContact CD2-CE1 3.76Å; L439-F588 HydrophobicContact CD2-CD1 4.14Å; L439-F588 HydrophobicContact CD2-CE1 4.39Å; L439-P590 HydrophobicContact CD1-CB 3.92Å; L439-P590 HydrophobicContact CD1-CG 4.29Å; L439-L591 HydrophobicContact CB-CB 3.9Å; L439-L591 HydrophobicContact CB-CD1 4.45Å; L439-L591 HydrophobicContact CB-CD2 4.23Å; L439-L591 HydrophobicContact CB-CG 4.42Å; L439-L591 HydrophobicContact CD1-CB 4.14Å
440	L	96.7	Very high	93.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.5	-45.2	173.3	-166.8	78.4	0	0	0	112.1	L240 Y243 T282 P284 I436 N437 F438 Q442 A443 L444 L591	L240-L440 HydrophobicContact CD1-CD1 3.59Å; Y243-L440 HydrophobicContact CD1-CD1 4.27Å; Y243-L440 HydrophobicContact CE1-CD1 4.15Å; Y243-L440 HydrophobicContact CE1-CD2 3.74Å; T282-L440 WeakPolarHBondContact O-CD2 3.4Å; P284-L440 HydrophobicContact CG-CB 4.33Å; P284-L440 HydrophobicContact CG-CD2 3.94Å; I436-L440 WeakPolarHBondContact O-CB 3.34Å; I436-L440 PolarHBondContact O-N 2.76Å; N437-L440 PolarHBondContact O-N 3.07Å; F438-L440 PolarHBondContact O-N 3.04Å; L440-Q442 PolarHBondContact O-N 2.95Å; L440-A443 PolarHBondContact O-N 3.21Å; L440-A443 VanDerWaalsContact O-N 3.13Å; L440-L444 HydrophobicContact CD2-CD1 4.37Å; L440-L444 HydrophobicContact CG-CD1 4.17Å; L440-L444 HydrophobicContact CG-CG 4.25Å; L440-L444 VanDerWaalsContact O-CG 3.28Å; L440-L444 WeakPolarHBondContact O-CG 3.48Å; L440-L444 PolarHBondContact O-N 2.73Å; L440-L591 HydrophobicContact CB-CD1 4.3Å; L440-L591 HydrophobicContact CD1-CD1 4.24Å; L440-L591 HydrophobicContact CD1-CD2 4.39Å
441	K	91.4	Very high	94	Very high	28 Å²	28	20.6 Å²	20.6	12%	0.122	11%	0.106	C	C	.	.	H	α-helix	trans	-56.1	-42.8	175.3	-167.6	-175.2	176.4	-171.8	0	110.1	Y279 D367 N437 F438 T445	Y279-K441 HydrophobicContact CD2-CB 3.84Å; Y279-K441 HydrophobicContact CD2-CG 4.35Å; Y279-K441 HydrophobicContact CE2-CB 3.84Å; Y279-K441 HydrophobicContact CG-CB 4.29Å; Y279-K441 HydrophobicContact CG-CG 4.31Å; D367-K441 IonicContact OD1-NZ 2.76Å; D367-K441 PolarHBondContact OD1-NZ 2.89Å; D367-K441 IonicContact OD2-NZ 2.66Å; N437-K441 PolarHBondContact O-N 2.98Å; N437-K441 VanDerWaalsContact O-N 3.12Å; F438-K441 PolarHBondContact O-N 3.09Å; F438-K441 VanDerWaalsContact O-N 3.11Å; K441-T445 PolarHBondContact O-OG1 3.01Å
442	Q	92.1	Very high	94.5	Very high	24 Å²	24	18.2 Å²	18.2	11%	0.112	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-45.9	175.3	-65.8	-60.1	-34.3	0	0	112.6	F438 L440 L444 T445 I446 F588	F438-Q442 HydrophobicContact CD1-CG 4.26Å; F438-Q442 HydrophobicContact CD2-CG 4.45Å; F438-Q442 HydrophobicContact CE1-CG 3.84Å; F438-Q442 HydrophobicContact CE2-CG 4.06Å; F438-Q442 HydrophobicContact CZ-CG 3.73Å; F438-Q442 WeakPolarHBondContact O-CG 3.14Å; F438-Q442 PolarHBondContact O-N 3.44Å; L440-Q442 PolarHBondContact O-N 2.95Å; Q442-L444 PolarHBondContact O-N 3Å; Q442-T445 PolarHBondContact O-N 2.96Å; Q442-I446 VanDerWaalsContact O-CB 3.32Å; Q442-I446 WeakPolarHBondContact O-CB 3.39Å; Q442-I446 WeakPolarHBondContact O-CG1 3.29Å; Q442-I446 PolarHBondContact O-N 2.95Å; Q442-F588 HydrophobicContact CB-CE1 3.87Å; Q442-F588 HydrophobicContact CB-CZ 4.07Å
443	A	97.3	Very high	94.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-67	-34.8	-178.3	0	0	0	0	0	113.2	L240 L439 L440 T445 V447 G448 F588 L591	L240-A443 HydrophobicContact CD1-CB 4.37Å; L240-A443 HydrophobicContact CD2-CB 4.17Å; L439-A443 VanDerWaalsContact O-CB 3.29Å; L439-A443 WeakPolarHBondContact O-CB 3.28Å; L439-A443 PolarHBondContact O-N 3.4Å; L440-A443 PolarHBondContact O-N 3.21Å; L440-A443 VanDerWaalsContact O-N 3.13Å; A443-T445 VanDerWaalsContact C-N 3.3Å; A443-T445 PolarHBondContact O-N 3.18Å; A443-V447 HydrophobicContact CB-CB 4.42Å; A443-V447 HydrophobicContact CB-CG2 4.18Å; A443-V447 WeakPolarHBondContact O-CA 3.4Å; A443-V447 WeakPolarHBondContact O-CB 3.24Å; A443-V447 PolarHBondContact O-N 3.13Å; A443-G448 PolarHBondContact O-N 3.24Å; A443-F588 HydrophobicContact CB-CD1 4.06Å; A443-F588 HydrophobicContact CB-CE1 3.72Å; A443-F588 HydrophobicContact CB-CZ 4.37Å; A443-L591 HydrophobicContact CB-CD2 3.51Å
444	L	96.6	Very high	95.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.8	-35.4	176	-70.5	169.9	0	0	0	112.4	L240 V244 W275 Y279 L440 Q442	L240-L444 HydrophobicContact CD1-CD2 4.39Å; V244-L444 HydrophobicContact CG2-CD2 3.78Å; W275-L444 HydrophobicContact CB-CB 4.07Å; W275-L444 HydrophobicContact CB-CD2 3.77Å; W275-L444 WeakPolarHBondContact CB-O 3.36Å; W275-L444 HydrophobicContact CE3-CD2 4.21Å; W275-L444 PolarHBondContact N-O 3.26Å; Y279-L444 HydrophobicContact CD2-CD1 4.07Å; Y279-L444 HydrophobicContact CG-CD1 4.5Å; L440-L444 HydrophobicContact CD2-CD1 4.37Å; L440-L444 HydrophobicContact CG-CD1 4.17Å; L440-L444 HydrophobicContact CG-CG 4.25Å; L440-L444 VanDerWaalsContact O-CG 3.28Å; L440-L444 WeakPolarHBondContact O-CG 3.48Å; L440-L444 PolarHBondContact O-N 2.73Å; Q442-L444 PolarHBondContact O-N 3Å
445	T	91.1	Very high	95.7	Very high	42 Å²	42	9.5 Å²	9.5	26%	0.258	5%	0.048	S	C	.	.	H	α-helix	trans	-77.2	-57.4	171.7	-48.8	0	0	0	0	111	F274 T276 K441 Q442 A443 T449	F274-T445 HydrophobicContact CD1-CG2 3.89Å; F274-T445 WeakPolarHBondContact CD1-O 3.33Å; F274-T445 HydrophobicContact CE1-CG2 4.22Å; T276-T445 WeakPolarHBondContact CG2-OG1 3.44Å; T276-T445 PolarHBondContact OG1-OG1 2.77Å; K441-T445 PolarHBondContact O-OG1 3.01Å; Q442-T445 PolarHBondContact O-N 2.96Å; A443-T445 VanDerWaalsContact C-N 3.3Å; A443-T445 PolarHBondContact O-N 3.18Å; T445-T449 WeakPolarHBondContact O-CG2 3.21Å; T445-T449 PolarHBondContact O-N 3.41Å
446	I	95.2	Very high	96.1	Very high	12 Å²	12	7.8 Å²	7.8	6%	0.062	4%	0.039	C	C	.	.	H	α-helix	trans	-82.9	-46.5	-162.8	-62	179	0	0	0	112.5	L410 Q442 L450 T519 F523 F588	L410-I446 HydrophobicContact CD2-CD1 4.08Å; Q442-I446 VanDerWaalsContact O-CB 3.32Å; Q442-I446 WeakPolarHBondContact O-CB 3.39Å; Q442-I446 WeakPolarHBondContact O-CG1 3.29Å; Q442-I446 PolarHBondContact O-N 2.95Å; I446-L450 WeakPolarHBondContact O-CG 3.46Å; I446-T519 HydrophobicContact CG2-CG2 3.67Å; I446-F523 HydrophobicContact CD1-CZ 3.92Å; I446-F523 HydrophobicContact CG2-CE2 3.7Å; I446-F523 HydrophobicContact CG2-CZ 3.92Å; I446-F588 HydrophobicContact CB-CE2 4.46Å; I446-F588 HydrophobicContact CB-CZ 4.21Å; I446-F588 HydrophobicContact CD1-CZ 4.4Å; I446-F588 HydrophobicContact CG2-CE2 4.13Å; I446-F588 HydrophobicContact CG2-CZ 4.36Å
447	V	98.3	Very high	96.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-35.4	-179.6	-176.1	0	0	0	0	110.5	L236 Y237 L240 A443 T449 L450 P451 F588	L236-V447 HydrophobicContact CD2-CG1 4.31Å; L236-V447 HydrophobicContact CD2-CG2 3.98Å; L236-V447 HydrophobicContact CG-CG1 4.17Å; Y237-V447 HydrophobicContact CD2-CG1 4.32Å; L240-V447 HydrophobicContact CD2-CB 3.98Å; L240-V447 HydrophobicContact CD2-CG1 4.07Å; A443-V447 HydrophobicContact CB-CB 4.42Å; A443-V447 HydrophobicContact CB-CG2 4.18Å; A443-V447 WeakPolarHBondContact O-CA 3.4Å; A443-V447 WeakPolarHBondContact O-CB 3.24Å; A443-V447 PolarHBondContact O-N 3.13Å; V447-T449 VanDerWaalsContact C-N 3.32Å; V447-T449 PolarHBondContact O-N 3Å; V447-L450 PolarHBondContact O-N 2.82Å; V447-P451 WeakPolarHBondContact O-CD 3.48Å; V447-F588 HydrophobicContact CG2-CD2 3.91Å; V447-F588 HydrophobicContact CG2-CE2 3.76Å; V447-F588 HydrophobicContact CG2-CG 4.4Å; V447-F588 HydrophobicContact CG2-CZ 4.13Å
448	G	97.1	Very high	96.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.8	176.7	0	0	0	0	0	113.9	A443	A443-G448 PolarHBondContact O-N 3.24Å
449	T	97.4	Very high	96.9	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.031	4%	0.043	C	C	.	.	H	α-helix	trans	-78.1	-20.9	-179.1	-165.9	0	0	0	0	114.4	R273 F274 T445 V447 F452 T453	R273-T449 VanDerWaalsContact O-CA 3.23Å; R273-T449 WeakPolarHBondContact O-CA 3.28Å; R273-T449 WeakPolarHBondContact O-CB 3.42Å; R273-T449 PolarHBondContact O-OG1 3.26Å; F274-T449 HydrophobicContact CD1-CG2 4.29Å; F274-T449 HydrophobicContact CE1-CG2 3.94Å; T445-T449 WeakPolarHBondContact O-CG2 3.21Å; T445-T449 PolarHBondContact O-N 3.41Å; V447-T449 VanDerWaalsContact C-N 3.32Å; V447-T449 PolarHBondContact O-N 3Å; T449-F452 WeakPolarHBondContact O-CB 3.43Å; T449-F452 PolarHBondContact O-N 2.62Å; T449-T453 WeakPolarHBondContact O-CB 3.11Å; T449-T453 PolarHBondContact O-N 3.1Å; T449-T453 PolarHBondContact O-OG1 2.78Å; T449-T453 PolarHBondContact OG1-OG1 3.19Å
450	L	98.6	Very high	97.1	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-62.3	-49.4	-170.8	-81.8	163.7	0	0	0	113.5	I233 I446 V447 F452 T453 Y454 Y516 T519 L520 L584	I233-L450 HydrophobicContact CD1-CD1 3.81Å; I233-L450 HydrophobicContact CD1-CD2 4.27Å; I233-L450 HydrophobicContact CD1-CG 4.42Å; I233-L450 HydrophobicContact CG1-CD1 4.44Å; I233-L450 HydrophobicContact CG2-CD1 4.25Å; I446-L450 WeakPolarHBondContact O-CG 3.46Å; V447-L450 PolarHBondContact O-N 2.82Å; L450-F452 VanDerWaalsContact C-N 3.35Å; L450-F452 PolarHBondContact O-N 3.24Å; L450-T453 PolarHBondContact O-N 3.25Å; L450-Y454 WeakPolarHBondContact O-CB 3.21Å; L450-Y454 PolarHBondContact O-N 3.18Å; L450-Y516 HydrophobicContact CD2-CD2 3.49Å; L450-Y516 VanDerWaalsContact CD2-CD2 3.49Å; L450-Y516 HydrophobicContact CD2-CE2 3.71Å; L450-Y516 HydrophobicContact CD2-CG 4.16Å; L450-T519 HydrophobicContact CD1-CG2 3.82Å; L450-T519 HydrophobicContact CD2-CG2 3.83Å; L450-T519 HydrophobicContact CG-CG2 3.98Å; L450-L520 HydrophobicContact CD2-CD1 4.41Å; L450-L584 HydrophobicContact CD1-CD1 3.77Å
451	P	98.7	Very high	97.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.2	-35.2	175.3	-15.9	27.9	0	0	0	113	F230 Y237 V447 M455 I484 V485	F230-P451 HydrophobicContact CE2-CB 3.68Å; F230-P451 HydrophobicContact CE2-CG 3.82Å; F230-P451 HydrophobicContact CZ-CB 3.9Å; F230-P451 HydrophobicContact CZ-CG 4.27Å; Y237-P451 HydrophobicContact CD1-CB 4.48Å; Y237-P451 HydrophobicContact CD1-CG 3.62Å; Y237-P451 HydrophobicContact CD2-CG 3.61Å; Y237-P451 HydrophobicContact CE1-CB 4.22Å; Y237-P451 HydrophobicContact CE1-CG 3.68Å; Y237-P451 HydrophobicContact CE2-CG 3.68Å; Y237-P451 HydrophobicContact CG-CG 3.58Å; V447-P451 WeakPolarHBondContact O-CD 3.48Å; P451-M455 WeakPolarHBondContact O-CB 3.47Å; P451-M455 PolarHBondContact O-N 2.98Å; P451-I484 HydrophobicContact CB-CG2 4.5Å; P451-V485 HydrophobicContact CB-CG1 4.32Å; P451-V485 HydrophobicContact CB-CG2 4.39Å
452	F	98.7	Very high	97.5	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.009	5%	0.051	C	C	.	.	H	α-helix	trans	-59.3	-49.8	175.1	179.9	-75.9	0	0	0	110.7	W271 G272 R273 T449 L450 L456 K481 L503 F512	W271-F452 HydrophobicContact CB-CE2 3.84Å; W271-F452 HydrophobicContact CB-CZ 3.93Å; W271-F452 WeakPolarHBondContact O-CE2 3.19Å; G272-F452 WeakPolarHBondContact O-CD2 3.39Å; R273-F452 HydrophobicContact CB-CD1 4.4Å; R273-F452 HydrophobicContact CB-CE1 4.15Å; R273-F452 HydrophobicContact CB-CE2 4.35Å; R273-F452 HydrophobicContact CB-CZ 4.13Å; R273-F452 HydrophobicContact CG-CD1 4.22Å; R273-F452 HydrophobicContact CG-CE1 4.13Å; T449-F452 WeakPolarHBondContact O-CB 3.43Å; T449-F452 PolarHBondContact O-N 2.62Å; L450-F452 VanDerWaalsContact C-N 3.35Å; L450-F452 PolarHBondContact O-N 3.24Å; F452-L456 HydrophobicContact CE1-CD1 3.74Å; F452-L456 HydrophobicContact CZ-CD1 4.23Å; F452-L456 VanDerWaalsContact O-CB 3.29Å; F452-L456 WeakPolarHBondContact O-CB 3.35Å; F452-L456 PolarHBondContact O-N 3.36Å; F452-K481 VanDerWaalsContact CD2-NZ 3.28Å; F452-L503 HydrophobicContact CE1-CD1 3.81Å; F452-L503 HydrophobicContact CZ-CD1 3.54Å; F452-F512 AromaticContact CD1-CE1 3.97Å; F452-F512 HydrophobicContact CD1-CE1 3.97Å; F452-F512 HydrophobicContact CD1-CZ 4.39Å; F452-F512 AromaticContact CE1-CE1 3.9Å; F452-F512 HydrophobicContact CE1-CE1 3.9Å; F452-F512 HydrophobicContact CE1-CZ 4.01Å
453	T	98.4	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.9	-46.6	-177	-60.9	0	0	0	0	112.1	T449 L450 L456 E457 F512	T449-T453 WeakPolarHBondContact O-CB 3.11Å; T449-T453 PolarHBondContact O-N 3.1Å; T449-T453 PolarHBondContact O-OG1 2.78Å; T449-T453 PolarHBondContact OG1-OG1 3.19Å; L450-T453 PolarHBondContact O-N 3.25Å; T453-L456 PolarHBondContact O-N 2.9Å; T453-E457 PolarHBondContact O-N 2.82Å; T453-F512 HydrophobicContact CG2-CD1 3.68Å; T453-F512 HydrophobicContact CG2-CE1 3.95Å; T453-F512 WeakPolarHBondContact CG2-O 3.47Å; T453-F512 WeakPolarHBondContact OG1-CE1 3.16Å
454	Y	98.7	Very high	97.9	Very high	14 Å²	14	9.7 Å²	9.7	6%	0.055	5%	0.048	C	C	.	.	H	α-helix	trans	-60.1	-49	175.5	161.3	-124	0	0	0	111.9	V226 E227 F230 L450 L456 E457 K458 I484	V226-Y454 HydrophobicContact CG1-CD2 3.62Å; V226-Y454 HydrophobicContact CG1-CE2 4.18Å; V226-Y454 HydrophobicContact CG1-CG 4.45Å; E227-Y454 HydrophobicContact CG-CE2 3.82Å; E227-Y454 PolarHBondContact OE1-OH 3Å; F230-Y454 HydrophobicContact CB-CD1 4.2Å; F230-Y454 HydrophobicContact CB-CE1 4.32Å; F230-Y454 AromaticContact CD1-CD1 3.58Å; F230-Y454 HydrophobicContact CD1-CD1 3.58Å; F230-Y454 AromaticContact CD1-CE1 3.36Å; F230-Y454 HydrophobicContact CD1-CE1 3.36Å; F230-Y454 AromaticContact CD2-CD1 3.59Å; F230-Y454 HydrophobicContact CD2-CD1 3.59Å; F230-Y454 HydrophobicContact CD2-CE1 4.26Å; F230-Y454 HydrophobicContact CD2-CG 4.17Å; F230-Y454 AromaticContact CE1-CD1 3.8Å; F230-Y454 HydrophobicContact CE1-CD1 3.8Å; F230-Y454 AromaticContact CE1-CE1 3.68Å; F230-Y454 HydrophobicContact CE1-CE1 3.68Å; F230-Y454 AromaticContact CE2-CD1 3.84Å; F230-Y454 HydrophobicContact CE2-CD1 3.84Å; F230-Y454 AromaticContact CG-CD1 3.46Å; F230-Y454 HydrophobicContact CG-CD1 3.46Å; F230-Y454 VanDerWaalsContact CG-CD1 3.46Å; F230-Y454 AromaticContact CG-CE1 3.68Å; F230-Y454 HydrophobicContact CG-CE1 3.68Å; F230-Y454 HydrophobicContact CG-CG 4.16Å; F230-Y454 AromaticContact CZ-CD1 3.93Å; F230-Y454 HydrophobicContact CZ-CD1 3.93Å; F230-Y454 HydrophobicContact CZ-CE1 4.27Å; L450-Y454 WeakPolarHBondContact O-CB 3.21Å; L450-Y454 PolarHBondContact O-N 3.18Å; Y454-L456 PolarHBondContact O-N 2.93Å; Y454-E457 PolarHBondContact O-N 2.83Å; Y454-K458 HydrophobicContact CE2-CB 4.25Å; Y454-K458 HydrophobicContact CE2-CD 3.74Å; Y454-K458 WeakPolarHBondContact O-CB 3.48Å; Y454-K458 PolarHBondContact O-N 3.41Å; Y454-K458 WeakPolarHBondContact OH-CD 3.42Å; Y454-K458 PolarHBondContact OH-NZ 2.65Å; Y454-I484 HydrophobicContact CD1-CG2 3.68Å; Y454-I484 HydrophobicContact CE1-CD1 4.19Å; Y454-I484 HydrophobicContact CE1-CG2 3.78Å
455	M	98.7	Very high	98	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-42.1	-178.7	-170.2	-75.1	-56.6	0	0	111.9	P451 K458 W459 W477 M480 K481 I484 V485	P451-M455 WeakPolarHBondContact O-CB 3.47Å; P451-M455 PolarHBondContact O-N 2.98Å; M455-K458 PolarHBondContact O-N 3.22Å; M455-W459 PolarHBondContact O-N 2.9Å; M455-W477 HydrophobicContact CE-CD2 4.4Å; M455-W477 HydrophobicContact CE-CE3 3.8Å; M455-W477 HydrophobicContact CE-CH2 3.74Å; M455-W477 HydrophobicContact CE-CZ2 4.31Å; M455-W477 HydrophobicContact CE-CZ3 3.45Å; M455-W477 VanDerWaalsContact CE-CZ3 3.45Å; M455-W477 HydrophobicContact SD-CE3 3.96Å; M455-W477 HydrophobicContact SD-CZ3 4.03Å; M455-M480 HydrophobicContact CG-CB 3.78Å; M455-M480 HydrophobicContact CG-CE 4.24Å; M455-M480 HydrophobicContact SD-CB 3.59Å; M455-M480 VanDerWaalsContact SD-CB 3.59Å; M455-M480 HydrophobicContact SD-CE 4.18Å; M455-K481 HydrophobicContact CE-CD 3.68Å; M455-K481 HydrophobicContact CE-CG 3.68Å; M455-I484 HydrophobicContact CB-CB 4.24Å; M455-I484 HydrophobicContact CB-CD1 4.41Å; M455-I484 HydrophobicContact CB-CG2 3.94Å; M455-I484 HydrophobicContact CG-CB 4.05Å; M455-I484 HydrophobicContact CG-CD1 3.99Å; M455-I484 HydrophobicContact CG-CG2 4.32Å; M455-V485 HydrophobicContact CB-CG2 3.86Å; M455-V485 HydrophobicContact CE-CG2 4.27Å; M455-V485 HydrophobicContact CG-CG2 4.03Å
456	L	98.8	Very high	98.3	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-45.5	-179.7	-175.6	154.4	0	0	0	112.2	F452 T453 Y454 W459 R460 W477 L503 V506 F512	F452-L456 HydrophobicContact CE1-CD1 3.74Å; F452-L456 HydrophobicContact CZ-CD1 4.23Å; F452-L456 VanDerWaalsContact O-CB 3.29Å; F452-L456 WeakPolarHBondContact O-CB 3.35Å; F452-L456 PolarHBondContact O-N 3.36Å; T453-L456 PolarHBondContact O-N 2.9Å; Y454-L456 PolarHBondContact O-N 2.93Å; L456-W459 PolarHBondContact O-N 3.47Å; L456-R460 HydrophobicContact CD2-CG 4.46Å; L456-R460 WeakPolarHBondContact O-CG 3.44Å; L456-R460 PolarHBondContact O-N 2.93Å; L456-R460 VanDerWaalsContact O-N 3.08Å; L456-W477 HydrophobicContact CB-CZ3 4.38Å; L456-W477 HydrophobicContact CD1-CH2 4.36Å; L456-W477 HydrophobicContact CG-CH2 4.46Å; L456-W477 HydrophobicContact CG-CZ3 4.34Å; L456-L503 HydrophobicContact CD1-CD1 4.33Å; L456-V506 HydrophobicContact CD1-CG2 4.32Å; L456-V506 HydrophobicContact CD2-CG2 4.18Å; L456-F512 HydrophobicContact CB-CD1 4.44Å; L456-F512 HydrophobicContact CD1-CD1 4.23Å; L456-F512 HydrophobicContact CD1-CE1 4.17Å; L456-F512 HydrophobicContact CD2-CB 3.86Å; L456-F512 HydrophobicContact CD2-CD1 3.79Å; L456-F512 HydrophobicContact CD2-CG 3.93Å; L456-F512 HydrophobicContact CG-CD1 4.39Å
457	E	98.2	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-74.2	-35.4	177	-79.6	-66.3	163.9	0	0	113.1	T453 Y454 W459 R460 W461 F512 I513	T453-E457 PolarHBondContact O-N 2.82Å; Y454-E457 PolarHBondContact O-N 2.83Å; E457-W459 VanDerWaalsContact C-N 3.27Å; E457-W459 PolarHBondContact O-N 2.71Å; E457-R460 PolarHBondContact O-N 3.35Å; E457-R460 VanDerWaalsContact O-N 3.14Å; E457-R460 IonicContact OE1-CZ 3.44Å; E457-R460 IonicContact OE1-NH1 2.71Å; E457-R460 PolarHBondContact OE1-NH1 2.98Å; E457-W461 HydrophobicContact CB-CZ2 4.14Å; E457-W461 WeakPolarHBondContact O-CB 3.39Å; E457-W461 VanDerWaalsContact O-CG 3.24Å; E457-W461 PolarHBondContact O-N 3.49Å; E457-W461 PolarHBondContact OE2-NE1 3.33Å; E457-F512 HydrophobicContact CG-CB 3.87Å; E457-F512 WeakPolarHBondContact OE1-CA 3.25Å; E457-F512 WeakPolarHBondContact OE1-CB 3.48Å; E457-F512 PolarHBondContact OE1-N 3.35Å; E457-I513 HydrophobicContact CB-CD1 4.29Å; E457-I513 HydrophobicContact CG-CB 4.02Å
458	K	98.7	Very high	98.5	Very high	53 Å²	53	20.8 Å²	20.8	23%	0.23	11%	0.109	C	C	.	.	H	α-helix	trans	-58	-42.5	172.2	-175	161.2	173.6	162.4	0	111.1	E227 Y454 M455 M462 M480	E227-K458 WeakPolarHBondContact OE1-CE 3.33Å; E227-K458 IonicContact OE1-NZ 3.92Å; E227-K458 PolarHBondContact OE1-NZ 3.08Å; Y454-K458 HydrophobicContact CE2-CB 4.25Å; Y454-K458 HydrophobicContact CE2-CD 3.74Å; Y454-K458 WeakPolarHBondContact O-CB 3.48Å; Y454-K458 PolarHBondContact O-N 3.41Å; Y454-K458 WeakPolarHBondContact OH-CD 3.42Å; Y454-K458 PolarHBondContact OH-NZ 2.65Å; M455-K458 PolarHBondContact O-N 3.22Å; K458-M462 HydrophobicContact CG-SD 4.06Å; K458-M462 WeakPolarHBondContact O-CB 3.2Å; K458-M462 WeakPolarHBondContact O-CG 3.32Å; K458-M462 PolarHBondContact O-N 3.41Å; K458-M480 HydrophobicContact CB-CE 3.95Å; K458-M480 HydrophobicContact CD-CE 4.42Å; K458-M480 HydrophobicContact CG-CE 3.82Å
459	W	98.8	Very high	98.5	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-46.6	173.8	-178	92.5	0	0	0	111.7	Y180 M455 L456 E457 M462 V463 I468 W473 W477 M480 P500	Y180-W459 HydrophobicContact CE1-CH2 4.31Å; Y180-W459 HydrophobicContact CE1-CZ3 4.19Å; M455-W459 PolarHBondContact O-N 2.9Å; L456-W459 PolarHBondContact O-N 3.47Å; E457-W459 VanDerWaalsContact C-N 3.27Å; E457-W459 PolarHBondContact O-N 2.71Å; W459-M462 PolarHBondContact O-N 3.39Å; W459-V463 HydrophobicContact CD2-CG2 3.96Å; W459-V463 HydrophobicContact CE3-CG2 4.17Å; W459-V463 HydrophobicContact CH2-CG2 3.94Å; W459-V463 HydrophobicContact CZ2-CG2 3.72Å; W459-V463 HydrophobicContact CZ3-CG2 4.17Å; W459-V463 WeakPolarHBondContact O-CB 3.25Å; W459-V463 WeakPolarHBondContact O-CG2 3.34Å; W459-V463 PolarHBondContact O-N 3.24Å; W459-I468 HydrophobicContact CG-CD1 4.44Å; W459-W473 HydrophobicContact CH2-CD2 4.47Å; W459-W473 HydrophobicContact CH2-CE3 4.49Å; W459-W473 HydrophobicContact CZ2-CB 4.03Å; W459-W473 HydrophobicContact CZ2-CD2 4.33Å; W459-W473 HydrophobicContact CZ2-CG 4.08Å; W459-W473 PolarHBondContact NE1-O 3.23Å; W459-W477 HydrophobicContact CB-CE3 4.33Å; W459-W477 HydrophobicContact CD2-CE3 4.27Å; W459-W477 HydrophobicContact CG-CE3 4.04Å; W459-M480 HydrophobicContact CB-CE 3.94Å; W459-M480 HydrophobicContact CB-SD 4.23Å; W459-P500 HydrophobicContact CD2-CG 4.29Å; W459-P500 HydrophobicContact CE3-CB 4.13Å; W459-P500 HydrophobicContact CE3-CG 4.14Å; W459-P500 HydrophobicContact CH2-CB 4Å; W459-P500 HydrophobicContact CH2-CG 3.74Å; W459-P500 HydrophobicContact CZ2-CG 3.87Å; W459-P500 HydrophobicContact CZ3-CB 3.73Å; W459-P500 HydrophobicContact CZ3-CG 3.87Å
460	R	98.7	Very high	98.4	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-48.2	177.9	-72.6	172.6	101	-173.7	15.6	112.1	W203 L456 E457 M462 V463 F464 H505 Y510	W203-R460 VanDerWaalsContact CH2-NH2 3.3Å; L456-R460 HydrophobicContact CD2-CG 4.46Å; L456-R460 WeakPolarHBondContact O-CG 3.44Å; L456-R460 PolarHBondContact O-N 2.93Å; L456-R460 VanDerWaalsContact O-N 3.08Å; E457-R460 PolarHBondContact O-N 3.35Å; E457-R460 VanDerWaalsContact O-N 3.14Å; E457-R460 IonicContact OE1-CZ 3.44Å; E457-R460 IonicContact OE1-NH1 2.71Å; E457-R460 PolarHBondContact OE1-NH1 2.98Å; R460-M462 PolarHBondContact O-N 3.07Å; R460-V463 PolarHBondContact O-N 2.04Å; R460-F464 HydrophobicContact CB-CD2 4.28Å; R460-F464 HydrophobicContact CB-CE2 3.98Å; R460-F464 WeakPolarHBondContact O-CD2 3.34Å; R460-F464 WeakPolarHBondContact O-CG 3.49Å; R460-F464 PolarHBondContact O-N 2.7Å; R460-H505 PolarHBondContact NH2-O 2.61Å; R460-H505 VanDerWaalsContact NH2-O 3.09Å; R460-Y510 PolarHBondContact NH1-O 3.24Å; R460-Y510 PolarHBondContact NH2-O 3.23Å
461	W	98.7	Very high	98.3	Very high	16 Å²	16	32.1 Å²	32.1	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-43.9	178	-63.4	-12.6	0	0	0	111.7	R204 I223 E457 V463 F464 K465 I513	R204-W461 HydrophobicContact CG-CZ2 4.03Å; I223-W461 HydrophobicContact CB-CZ3 4.31Å; I223-W461 HydrophobicContact CD1-CE3 4.29Å; I223-W461 HydrophobicContact CG1-CE3 4.05Å; I223-W461 HydrophobicContact CG1-CZ3 3.82Å; I223-W461 HydrophobicContact CG2-CE3 4.49Å; I223-W461 HydrophobicContact CG2-CZ3 4.2Å; E457-W461 HydrophobicContact CB-CZ2 4.14Å; E457-W461 WeakPolarHBondContact O-CB 3.39Å; E457-W461 VanDerWaalsContact O-CG 3.24Å; E457-W461 PolarHBondContact O-N 3.49Å; E457-W461 PolarHBondContact OE2-NE1 3.33Å; W461-V463 PolarHBondContact O-N 3.17Å; W461-F464 PolarHBondContact O-N 3.04Å; W461-K465 WeakPolarHBondContact O-CB 3.43Å; W461-K465 PolarHBondContact O-N 3.14Å; W461-I513 HydrophobicContact CH2-CD1 3.92Å; W461-I513 HydrophobicContact CH2-CG1 3.97Å; W461-I513 HydrophobicContact CZ2-CB 4.05Å; W461-I513 HydrophobicContact CZ2-CD1 4.19Å; W461-I513 HydrophobicContact CZ2-CG1 3.94Å; W461-I513 HydrophobicContact CZ2-CG2 4.28Å
462	M	98.8	Very high	98.2	Very high	47 Å²	47	35 Å²	35	23%	0.232	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-36.6	176.1	-68.5	176.5	73.2	0	0	112.5	K458 W459 R460 G466 E467 I468 M480	K458-M462 HydrophobicContact CG-SD 4.06Å; K458-M462 WeakPolarHBondContact O-CB 3.2Å; K458-M462 WeakPolarHBondContact O-CG 3.32Å; K458-M462 PolarHBondContact O-N 3.41Å; W459-M462 PolarHBondContact O-N 3.39Å; R460-M462 PolarHBondContact O-N 3.07Å; M462-G466 PolarHBondContact O-N 2.87Å; M462-G466 VanDerWaalsContact O-N 3.11Å; M462-E467 HydrophobicContact CB-CB 4.28Å; M462-E467 HydrophobicContact CE-CB 4.44Å; M462-E467 PolarHBondContact O-N 3.2Å; M462-I468 HydrophobicContact CB-CD1 3.63Å; M462-I468 HydrophobicContact CB-CG1 3.88Å; M462-I468 HydrophobicContact CE-CD1 4.27Å; M462-I468 HydrophobicContact CE-CG1 4.16Å; M462-I468 PolarHBondContact O-N 3Å; M462-I468 HydrophobicContact SD-CD1 4.37Å; M462-M480 HydrophobicContact SD-CE 4.47Å; M462-M480 HydrophobicContact SD-SD 4.44Å
463	V	98.8	Very high	98.2	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-46.8	173.8	165.6	0	0	0	0	112	V184 W459 R460 W461 K465 G466 I468 W473	V184-V463 HydrophobicContact CG1-CG1 4.19Å; V184-V463 HydrophobicContact CG2-CG1 4.08Å; W459-V463 HydrophobicContact CD2-CG2 3.96Å; W459-V463 HydrophobicContact CE3-CG2 4.17Å; W459-V463 HydrophobicContact CH2-CG2 3.94Å; W459-V463 HydrophobicContact CZ2-CG2 3.72Å; W459-V463 HydrophobicContact CZ3-CG2 4.17Å; W459-V463 WeakPolarHBondContact O-CB 3.25Å; W459-V463 WeakPolarHBondContact O-CG2 3.34Å; W459-V463 PolarHBondContact O-N 3.24Å; R460-V463 PolarHBondContact O-N 2.04Å; W461-V463 PolarHBondContact O-N 3.17Å; V463-K465 PolarHBondContact O-N 2.68Å; V463-G466 PolarHBondContact O-N 2.88Å; V463-G466 VanDerWaalsContact O-N 3.16Å; V463-I468 HydrophobicContact CG2-CB 4.07Å; V463-I468 HydrophobicContact CG2-CD1 4.21Å; V463-I468 HydrophobicContact CG2-CG2 4.45Å; V463-W473 HydrophobicContact CG1-CH2 4.35Å; V463-W473 HydrophobicContact CG1-CZ2 3.5Å; V463-W473 VanDerWaalsContact CG1-CZ2 3.5Å
464	F	98.6	Very high	98.2	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-41.4	178.5	-69.4	-56.8	0	0	0	111.9	Y183 V184 N188 D198 Y199 W203 R460 W461 G466	Y183-F464 HydrophobicContact CE1-CE1 4.04Å; Y183-F464 HydrophobicContact CE1-CZ 4Å; V184-F464 HydrophobicContact CB-CE1 4.44Å; V184-F464 HydrophobicContact CG1-CD1 4.13Å; V184-F464 HydrophobicContact CG1-CE1 4.45Å; V184-F464 HydrophobicContact CG2-CD1 4.3Å; V184-F464 HydrophobicContact CG2-CE1 3.88Å; N188-F464 PolarHBondContact ND2-O 3.31Å; N188-F464 PolarHBondContact OD1-O 2.95Å; D198-F464 HydrophobicContact CB-CB 4.23Å; Y199-F464 HydrophobicContact CD1-CD1 4.42Å; Y199-F464 AromaticContact CD1-CE1 3.87Å; Y199-F464 HydrophobicContact CD1-CE1 3.87Å; Y199-F464 HydrophobicContact CD1-CE2 4.34Å; Y199-F464 AromaticContact CD1-CZ 3.83Å; Y199-F464 HydrophobicContact CD1-CZ 3.83Å; Y199-F464 HydrophobicContact CG-CE1 4.5Å; W203-F464 HydrophobicContact CE3-CE2 4.33Å; W203-F464 AromaticContact CH2-CE2 3.68Å; W203-F464 HydrophobicContact CH2-CE2 3.68Å; W203-F464 AromaticContact CH2-CZ 3.89Å; W203-F464 HydrophobicContact CH2-CZ 3.89Å; W203-F464 HydrophobicContact CZ3-CD2 4.4Å; W203-F464 AromaticContact CZ3-CE2 3.51Å; W203-F464 HydrophobicContact CZ3-CE2 3.51Å; W203-F464 HydrophobicContact CZ3-CZ 4.2Å; R460-F464 HydrophobicContact CB-CD2 4.28Å; R460-F464 HydrophobicContact CB-CE2 3.98Å; R460-F464 WeakPolarHBondContact O-CD2 3.34Å; R460-F464 WeakPolarHBondContact O-CG 3.49Å; R460-F464 PolarHBondContact O-N 2.7Å; W461-F464 PolarHBondContact O-N 3.04Å; F464-G466 PolarHBondContact O-N 2.99Å
465	K	98.4	Very high	98.1	Very high	126 Å²	126	39.1 Å²	39.1	55%	0.548	20%	0.2	S	C	.	.	H	α-helix	trans	-68.5	-17	175.4	-167.9	176.8	175.3	-159.2	0	113.5	W461 V463 E467	W461-K465 WeakPolarHBondContact O-CB 3.43Å; W461-K465 PolarHBondContact O-N 3.14Å; V463-K465 PolarHBondContact O-N 2.68Å; K465-E467 HydrophobicContact CB-CG 4.4Å; K465-E467 HydrophobicContact CD-CG 4.09Å; K465-E467 WeakPolarHBondContact CD-OE1 3.27Å; K465-E467 WeakPolarHBondContact CE-OE1 3.46Å; K465-E467 HydrophobicContact CG-CG 4.15Å; K465-E467 IonicContact NZ-OE1 2.66Å; K465-E467 PolarHBondContact NZ-OE1 2.92Å; K465-E467 IonicContact NZ-OE2 3.82Å
466	G	98	Very high	98.1	Very high	55 Å²	55	42.5 Å²	42.5	57%	0.567	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	17.5	179.1	0	0	0	0	0	114.8	M462 V463 F464 I468	M462-G466 PolarHBondContact O-N 2.87Å; M462-G466 VanDerWaalsContact O-N 3.11Å; V463-G466 PolarHBondContact O-N 2.88Å; V463-G466 VanDerWaalsContact O-N 3.16Å; F464-G466 PolarHBondContact O-N 2.99Å; G466-I468 VanDerWaalsContact C-N 3.33Å
467	E	98.4	Very high	98.1	Very high	100 Å²	100	43 Å²	43	47%	0.467	22%	0.217	S	C	.	.			trans	-77	-20.7	176.6	-64	-175.8	158.6	0	0	112.7	M462 K465	M462-E467 HydrophobicContact CB-CB 4.28Å; M462-E467 HydrophobicContact CE-CB 4.44Å; M462-E467 PolarHBondContact O-N 3.2Å; K465-E467 HydrophobicContact CB-CG 4.4Å; K465-E467 HydrophobicContact CD-CG 4.09Å; K465-E467 WeakPolarHBondContact CD-OE1 3.27Å; K465-E467 WeakPolarHBondContact CE-OE1 3.46Å; K465-E467 HydrophobicContact CG-CG 4.15Å; K465-E467 IonicContact NZ-OE1 2.66Å; K465-E467 PolarHBondContact NZ-OE1 2.92Å; K465-E467 IonicContact NZ-OE2 3.82Å
468	I	98.5	Very high	98.1	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.219	C	C	.	.	S	Bend	trans	-110	106.8	172.2	-58	170.9	0	0	0	108.9	W459 M462 V463 G466 Q472 W473 K476	W459-I468 HydrophobicContact CG-CD1 4.44Å; M462-I468 HydrophobicContact CB-CD1 3.63Å; M462-I468 HydrophobicContact CB-CG1 3.88Å; M462-I468 HydrophobicContact CE-CD1 4.27Å; M462-I468 HydrophobicContact CE-CG1 4.16Å; M462-I468 PolarHBondContact O-N 3Å; M462-I468 HydrophobicContact SD-CD1 4.37Å; V463-I468 HydrophobicContact CG2-CB 4.07Å; V463-I468 HydrophobicContact CG2-CD1 4.21Å; V463-I468 HydrophobicContact CG2-CG2 4.45Å; G466-I468 VanDerWaalsContact C-N 3.33Å; I468-Q472 HydrophobicContact CG2-CB 4.49Å; I468-Q472 WeakPolarHBondContact CG2-O 3.41Å; I468-W473 PolarHBondContact O-NE1 2.77Å; I468-K476 HydrophobicContact CD1-CB 3.88Å; I468-K476 HydrophobicContact CD1-CG 4.37Å; I468-K476 HydrophobicContact CG1-CB 4.22Å; I468-K476 HydrophobicContact CG1-CG 4.2Å; I468-K476 HydrophobicContact CG2-CB 3.85Å; I468-K476 HydrophobicContact CG2-CG 3.94Å
469	P	97.6	Very high	98.1	Very high	57 Å²	57	44.5 Å²	44.5	37%	0.37	22%	0.224	S	C	.	.			trans	-58.9	152.4	172	-25.8	36.5	0	0	0	112.9	D471 Q472 W473	P469-D471 VanDerWaalsContact C-N 3.26Å; P469-D471 WeakPolarHBondContact CB-OD1 3.27Å; P469-D471 PolarHBondContact O-N 3.12Å; P469-Q472 CarbonylContact O-C 3.57Å; P469-Q472 PolarHBondContact O-N 3.22Å; P469-W473 PolarHBondContact O-N 3Å
470	K	96.6	Very high	98.1	Very high	81 Å²	81	45 Å²	45	35%	0.352	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-58	-36.7	-178.5	-73.9	-179.8	156.5	-153.8	0	113	R177 E181 Q472 W473	R177-K470 PolarHBondContact NH2-O 3.47Å; E181-K470 HydrophobicContact CG-CD 4.24Å; E181-K470 PolarHBondContact O-NZ 3.42Å; E181-K470 VanDerWaalsContact OE2-CD 3.27Å; E181-K470 WeakPolarHBondContact OE2-CD 3.49Å; E181-K470 VanDerWaalsContact OE2-CE 3.28Å; E181-K470 WeakPolarHBondContact OE2-CE 3.38Å; E181-K470 IonicContact OE2-NZ 3.62Å; E181-K470 PolarHBondContact OE2-NZ 2.95Å; K470-Q472 PolarHBondContact O-N 3.01Å; K470-Q472 VanDerWaalsContact O-N 3.1Å; K470-W473 HydrophobicContact CG-CZ2 4.29Å; K470-W473 PolarHBondContact O-N 3.22Å
471	D	95.3	Very high	98.1	Very high	106 Å²	106	45.1 Å²	45.1	57%	0.567	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-66	-0.9	174.1	53.4	-72.6	0	0	0	114.7	P469 E495	P469-D471 VanDerWaalsContact C-N 3.26Å; P469-D471 WeakPolarHBondContact CB-OD1 3.27Å; P469-D471 PolarHBondContact O-N 3.12Å; D471-E495 WeakPolarHBondContact O-CG 3.42Å
472	Q	97	Very high	98.1	Very high	62 Å²	62	45.8 Å²	45.8	29%	0.29	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-138.2	13.7	-176.3	-68.1	170.5	68.9	0	0	113	I468 P469 K470 K475 K476 E495	I468-Q472 HydrophobicContact CG2-CB 4.49Å; I468-Q472 WeakPolarHBondContact CG2-O 3.41Å; P469-Q472 CarbonylContact O-C 3.57Å; P469-Q472 PolarHBondContact O-N 3.22Å; K470-Q472 PolarHBondContact O-N 3.01Å; K470-Q472 VanDerWaalsContact O-N 3.1Å; Q472-K475 HydrophobicContact CG-CD 4.46Å; Q472-K476 VanDerWaalsContact O-CB 3.3Å; Q472-K476 WeakPolarHBondContact O-CB 3.16Å; Q472-K476 PolarHBondContact O-N 3.13Å; Q472-E495 WeakPolarHBondContact CA-OE1 3.23Å
473	W	98.5	Very high	98.1	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-55.3	-179.9	-87.2	15.8	0	0	0	112.4	Y180 E181 V184 W459 V463 I468 P469 K470 W477 E495	Y180-W473 AromaticContact CD1-CH2 3.84Å; Y180-W473 HydrophobicContact CD1-CH2 3.84Å; Y180-W473 AromaticContact CD1-CZ3 3.72Å; Y180-W473 HydrophobicContact CD1-CZ3 3.72Å; Y180-W473 HydrophobicContact CE1-CH2 4.46Å; E181-W473 HydrophobicContact CB-CH2 4.34Å; E181-W473 HydrophobicContact CB-CZ3 4.37Å; E181-W473 HydrophobicContact CG-CE3 4.13Å; E181-W473 HydrophobicContact CG-CH2 3.66Å; E181-W473 HydrophobicContact CG-CZ2 4.43Å; E181-W473 HydrophobicContact CG-CZ3 3.46Å; E181-W473 VanDerWaalsContact CG-CZ3 3.46Å; V184-W473 HydrophobicContact CB-CH2 4.32Å; V184-W473 HydrophobicContact CB-CZ2 4.43Å; V184-W473 HydrophobicContact CG1-CZ2 4.43Å; V184-W473 HydrophobicContact CG2-CH2 3.83Å; V184-W473 HydrophobicContact CG2-CZ2 4.1Å; W459-W473 HydrophobicContact CH2-CD2 4.47Å; W459-W473 HydrophobicContact CH2-CE3 4.49Å; W459-W473 HydrophobicContact CZ2-CB 4.03Å; W459-W473 HydrophobicContact CZ2-CD2 4.33Å; W459-W473 HydrophobicContact CZ2-CG 4.08Å; W459-W473 PolarHBondContact NE1-O 3.23Å; V463-W473 HydrophobicContact CG1-CH2 4.35Å; V463-W473 HydrophobicContact CG1-CZ2 3.5Å; V463-W473 VanDerWaalsContact CG1-CZ2 3.5Å; I468-W473 PolarHBondContact O-NE1 2.77Å; P469-W473 PolarHBondContact O-N 3Å; K470-W473 HydrophobicContact CG-CZ2 4.29Å; K470-W473 PolarHBondContact O-N 3.22Å; W473-W477 WeakPolarHBondContact O-CB 3.45Å; W473-W477 PolarHBondContact O-N 3.33Å; W473-E495 WeakPolarHBondContact CB-OE2 3.49Å; W473-E495 PolarHBondContact N-OE1 2.94Å; W473-E495 VanDerWaalsContact N-OE1 3.17Å; W473-E495 PolarHBondContact N-OE2 3.49Å
474	M	98.3	Very high	98.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-72.7	-37.4	-180	-70.4	-50.4	-48.4	0	0	112.2	W477 W478 H493 D494 E495 Y497 D499	M474-W477 HydrophobicContact CE-CG 4.41Å; M474-W477 PolarHBondContact O-N 3.35Å; M474-W478 PolarHBondContact O-N 2.77Å; M474-W478 VanDerWaalsContact O-N 3.07Å; M474-H493 HydrophobicContact CE-CB 4.3Å; M474-D494 WeakPolarHBondContact CG-O 3.48Å; M474-E495 WeakPolarHBondContact CA-OE1 3.17Å; M474-E495 VanDerWaalsContact N-CD 3.29Å; M474-E495 PolarHBondContact N-OE1 3.17Å; M474-E495 PolarHBondContact N-OE2 3.06Å; M474-Y497 WeakPolarHBondContact CG-O 3.34Å; M474-D499 HydrophobicContact CE-CB 3.68Å; M474-D499 WeakPolarHBondContact CE-OD2 3.3Å; M474-D499 HydrophobicContact SD-CB 4.47Å; M474-D499 PolarHBondContact SD-N 3.48Å
475	K	96.6	Very high	98.1	Very high	95 Å²	95	50.5 Å²	50.5	41%	0.413	25%	0.252	S	S	.	.	H	α-helix	trans	-57.2	-51.6	172.3	177.8	178.3	171.2	-175.2	0	112	Q472 W478 E479 E495	Q472-K475 HydrophobicContact CG-CD 4.46Å; K475-W478 PolarHBondContact O-N 2.79Å; K475-E479 WeakPolarHBondContact CE-OE1 3.09Å; K475-E479 WeakPolarHBondContact O-CG 3.09Å; K475-E479 PolarHBondContact O-N 3.26Å; K475-E495 PolarHBondContact N-OE1 2.75Å
476	K	98.4	Very high	98.1	Very high	72 Å²	72	44.5 Å²	44.5	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-69.3	-34.3	-178.9	-80.9	-75	170.9	-158.9	0	112.7	I468 Q472 E479 M480	I468-K476 HydrophobicContact CD1-CB 3.88Å; I468-K476 HydrophobicContact CD1-CG 4.37Å; I468-K476 HydrophobicContact CG1-CB 4.22Å; I468-K476 HydrophobicContact CG1-CG 4.2Å; I468-K476 HydrophobicContact CG2-CB 3.85Å; I468-K476 HydrophobicContact CG2-CG 3.94Å; Q472-K476 VanDerWaalsContact O-CB 3.3Å; Q472-K476 WeakPolarHBondContact O-CB 3.16Å; Q472-K476 PolarHBondContact O-N 3.13Å; K476-E479 WeakPolarHBondContact CD-OE2 3.11Å; K476-E479 VanDerWaalsContact CE-OE2 3.23Å; K476-E479 WeakPolarHBondContact CE-OE2 3.31Å; K476-E479 IonicContact NZ-OE2 3.67Å; K476-E479 PolarHBondContact NZ-OE2 2.94Å; K476-M480 WeakPolarHBondContact O-CB 3.3Å; K476-M480 WeakPolarHBondContact O-CG 3.36Å; K476-M480 PolarHBondContact O-N 2.79Å
477	W	98.8	Very high	98.1	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-56.6	-48.9	171.7	170.4	-104.9	0	0	0	112.1	M455 L456 W459 W473 M474 M480 K481 P500	M455-W477 HydrophobicContact CE-CD2 4.4Å; M455-W477 HydrophobicContact CE-CE3 3.8Å; M455-W477 HydrophobicContact CE-CH2 3.74Å; M455-W477 HydrophobicContact CE-CZ2 4.31Å; M455-W477 HydrophobicContact CE-CZ3 3.45Å; M455-W477 VanDerWaalsContact CE-CZ3 3.45Å; M455-W477 HydrophobicContact SD-CE3 3.96Å; M455-W477 HydrophobicContact SD-CZ3 4.03Å; L456-W477 HydrophobicContact CB-CZ3 4.38Å; L456-W477 HydrophobicContact CD1-CH2 4.36Å; L456-W477 HydrophobicContact CG-CH2 4.46Å; L456-W477 HydrophobicContact CG-CZ3 4.34Å; W459-W477 HydrophobicContact CB-CE3 4.33Å; W459-W477 HydrophobicContact CD2-CE3 4.27Å; W459-W477 HydrophobicContact CG-CE3 4.04Å; W473-W477 WeakPolarHBondContact O-CB 3.45Å; W473-W477 PolarHBondContact O-N 3.33Å; M474-W477 HydrophobicContact CE-CG 4.41Å; M474-W477 PolarHBondContact O-N 3.35Å; W477-M480 PolarHBondContact O-N 2.99Å; W477-K481 HydrophobicContact CD2-CG 4.39Å; W477-K481 HydrophobicContact CZ2-CG 4.43Å; W477-K481 WeakPolarHBondContact O-CB 3.37Å; W477-K481 WeakPolarHBondContact O-CG 3.49Å; W477-K481 PolarHBondContact O-N 2.86Å; W477-P500 HydrophobicContact CB-CG 4.48Å; W477-P500 HydrophobicContact CD2-CG 3.64Å; W477-P500 HydrophobicContact CE3-CB 4.38Å; W477-P500 HydrophobicContact CE3-CG 3.66Å; W477-P500 HydrophobicContact CG-CG 4.02Å; W477-P500 HydrophobicContact CH2-CB 4.4Å; W477-P500 HydrophobicContact CH2-CG 4.32Å; W477-P500 HydrophobicContact CZ2-CG 4.34Å; W477-P500 HydrophobicContact CZ3-CB 4.23Å; W477-P500 HydrophobicContact CZ3-CG 4Å
478	W	98.5	Very high	98.2	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.045	18%	0.176	C	C	.	.	H	α-helix	trans	-76.2	-32.8	-178.6	-76.3	118	0	0	0	113.8	W165 A264 M474 K475 M480 K481 R482 E489 D499	W165-W478 HydrophobicContact CH2-CH2 4.17Å; W165-W478 AromaticContact CH2-CZ2 3.8Å; W165-W478 HydrophobicContact CH2-CZ2 3.8Å; W165-W478 AromaticContact CZ2-CH2 3.8Å; W165-W478 HydrophobicContact CZ2-CH2 3.8Å; W165-W478 AromaticContact CZ2-CZ2 3.79Å; W165-W478 HydrophobicContact CZ2-CZ2 3.79Å; A264-W478 HydrophobicContact CB-CH2 3.92Å; A264-W478 HydrophobicContact CB-CZ3 4.27Å; M474-W478 PolarHBondContact O-N 2.77Å; M474-W478 VanDerWaalsContact O-N 3.07Å; K475-W478 PolarHBondContact O-N 2.79Å; W478-M480 VanDerWaalsContact C-N 3.35Å; W478-M480 PolarHBondContact O-N 2.83Å; W478-K481 HydrophobicContact CD2-CB 4.48Å; W478-K481 HydrophobicContact CD2-CG 4.47Å; W478-K481 HydrophobicContact CE3-CB 3.51Å; W478-K481 HydrophobicContact CE3-CG 3.72Å; W478-K481 HydrophobicContact CH2-CG 4.32Å; W478-K481 HydrophobicContact CZ3-CB 3.72Å; W478-K481 HydrophobicContact CZ3-CD 4.03Å; W478-K481 HydrophobicContact CZ3-CG 3.63Å; W478-K481 PolarHBondContact O-N 2.72Å; W478-R482 WeakPolarHBondContact O-CB 3.28Å; W478-R482 WeakPolarHBondContact O-CD 3.36Å; W478-R482 VanDerWaalsContact O-CG 3.26Å; W478-R482 WeakPolarHBondContact O-CG 3.46Å; W478-R482 PolarHBondContact O-N 3.33Å; W478-R482 VanDerWaalsContact O-N 3.07Å; W478-E489 HydrophobicContact CD2-CB 3.66Å; W478-E489 HydrophobicContact CD2-CG 4.1Å; W478-E489 HydrophobicContact CE3-CB 3.74Å; W478-E489 HydrophobicContact CE3-CG 4.36Å; W478-E489 HydrophobicContact CG-CB 4.3Å; W478-E489 HydrophobicContact CG-CG 4.23Å; W478-E489 HydrophobicContact CH2-CB 4.01Å; W478-E489 HydrophobicContact CZ2-CB 3.9Å; W478-E489 HydrophobicContact CZ3-CB 3.92Å; W478-D499 WeakPolarHBondContact CZ2-OD2 3.34Å; W478-D499 PolarHBondContact NE1-OD2 3.41Å
479	E	98.5	Very high	98.1	Very high	74 Å²	74	37.6 Å²	37.6	35%	0.346	18%	0.179	S	C	.	.	H	α-helix	trans	-55.9	-48.7	165.8	-74.1	176.2	-174.6	0	0	111	K475 K476 R482 E483	K475-E479 WeakPolarHBondContact CE-OE1 3.09Å; K475-E479 WeakPolarHBondContact O-CG 3.09Å; K475-E479 PolarHBondContact O-N 3.26Å; K476-E479 WeakPolarHBondContact CD-OE2 3.11Å; K476-E479 VanDerWaalsContact CE-OE2 3.23Å; K476-E479 WeakPolarHBondContact CE-OE2 3.31Å; K476-E479 IonicContact NZ-OE2 3.67Å; K476-E479 PolarHBondContact NZ-OE2 2.94Å; E479-R482 PolarHBondContact O-N 3.09Å; E479-E483 WeakPolarHBondContact O-CB 3.34Å; E479-E483 PolarHBondContact O-N 2.9Å
480	M	98.8	Very high	98.1	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.054	16%	0.162	C	C	.	.	H	α-helix	trans	-70.9	-35.2	-179.1	-68.9	171.7	63.2	0	0	113.6	M455 K458 W459 M462 K476 W477 W478 R482 E483 I484	M455-M480 HydrophobicContact CG-CB 3.78Å; M455-M480 HydrophobicContact CG-CE 4.24Å; M455-M480 HydrophobicContact SD-CB 3.59Å; M455-M480 VanDerWaalsContact SD-CB 3.59Å; M455-M480 HydrophobicContact SD-CE 4.18Å; K458-M480 HydrophobicContact CB-CE 3.95Å; K458-M480 HydrophobicContact CD-CE 4.42Å; K458-M480 HydrophobicContact CG-CE 3.82Å; W459-M480 HydrophobicContact CB-CE 3.94Å; W459-M480 HydrophobicContact CB-SD 4.23Å; M462-M480 HydrophobicContact SD-CE 4.47Å; M462-M480 HydrophobicContact SD-SD 4.44Å; K476-M480 WeakPolarHBondContact O-CB 3.3Å; K476-M480 WeakPolarHBondContact O-CG 3.36Å; K476-M480 PolarHBondContact O-N 2.79Å; W477-M480 PolarHBondContact O-N 2.99Å; W478-M480 VanDerWaalsContact C-N 3.35Å; W478-M480 PolarHBondContact O-N 2.83Å; M480-R482 VanDerWaalsContact C-N 3.35Å; M480-E483 PolarHBondContact O-N 3.42Å; M480-I484 HydrophobicContact CB-CD1 4.47Å; M480-I484 HydrophobicContact CE-CD1 4.34Å; M480-I484 WeakPolarHBondContact O-CB 3.38Å; M480-I484 PolarHBondContact O-N 2.88Å
481	K	98.7	Very high	98.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.017	15%	0.146	C	C	.	.	I	π-helix	trans	-58.8	-44.8	170.7	-86.1	-80.3	-175.5	179.5	0	111.6	F452 M455 W477 W478 V485 G486 V487	F452-K481 VanDerWaalsContact CD2-NZ 3.28Å; M455-K481 HydrophobicContact CE-CD 3.68Å; M455-K481 HydrophobicContact CE-CG 3.68Å; W477-K481 HydrophobicContact CD2-CG 4.39Å; W477-K481 HydrophobicContact CZ2-CG 4.43Å; W477-K481 WeakPolarHBondContact O-CB 3.37Å; W477-K481 WeakPolarHBondContact O-CG 3.49Å; W477-K481 PolarHBondContact O-N 2.86Å; W478-K481 HydrophobicContact CD2-CB 4.48Å; W478-K481 HydrophobicContact CD2-CG 4.47Å; W478-K481 HydrophobicContact CE3-CB 3.51Å; W478-K481 HydrophobicContact CE3-CG 3.72Å; W478-K481 HydrophobicContact CH2-CG 4.32Å; W478-K481 HydrophobicContact CZ3-CB 3.72Å; W478-K481 HydrophobicContact CZ3-CD 4.03Å; W478-K481 HydrophobicContact CZ3-CG 3.63Å; W478-K481 PolarHBondContact O-N 2.72Å; K481-V485 HydrophobicContact CD-CG2 4.38Å; K481-V485 CarbonylContact O-C 3.54Å; K481-V485 WeakPolarHBondContact O-CA 3.31Å; K481-V485 WeakPolarHBondContact O-CB 3.23Å; K481-V485 PolarHBondContact O-N 3.25Å; K481-G486 PolarHBondContact O-N 3.5Å; K481-G486 VanDerWaalsContact O-N 3.1Å; K481-V487 CarbonylContact C-O 3.03Å; K481-V487 HydrophobicContact CD-CB 4.49Å; K481-V487 HydrophobicContact CD-CG1 4.44Å; K481-V487 PolarHBondContact O-N 3.03Å; K481-V487 VanDerWaalsContact O-N 3.09Å
482	R	98.8	Very high	98.1	Very high	30 Å²	30	27 Å²	27	11%	0.113	12%	0.123	C	C	.	.	I	π-helix	trans	-70.1	-41.4	178.8	-69.5	165.5	175.3	-114.5	12.9	111.9	W478 E479 M480 V487 V488 E489 W606 T608 W610 Y613	W478-R482 WeakPolarHBondContact O-CB 3.28Å; W478-R482 WeakPolarHBondContact O-CD 3.36Å; W478-R482 VanDerWaalsContact O-CG 3.26Å; W478-R482 WeakPolarHBondContact O-CG 3.46Å; W478-R482 PolarHBondContact O-N 3.33Å; W478-R482 VanDerWaalsContact O-N 3.07Å; E479-R482 PolarHBondContact O-N 3.09Å; M480-R482 VanDerWaalsContact C-N 3.35Å; R482-V487 WeakPolarHBondContact CA-O 3.45Å; R482-V487 PolarHBondContact N-O 3.42Å; R482-V488 HydrophobicContact CG-CB 4.34Å; R482-V488 VanDerWaalsContact CZ-CG2 3.42Å; R482-E489 IonicContact CZ-OE1 3.15Å; R482-E489 IonicContact CZ-OE2 3.38Å; R482-E489 IonicContact NE-OE1 2.69Å; R482-E489 PolarHBondContact NE-OE1 2.83Å; R482-E489 IonicContact NE-OE2 3.5Å; R482-E489 PolarHBondContact NE-OE2 2.88Å; R482-E489 IonicContact NH2-OE1 2.72Å; R482-E489 PolarHBondContact NH2-OE1 3.1Å; R482-E489 IonicContact NH2-OE2 2.75Å; R482-E489 PolarHBondContact NH2-OE2 3.39Å; R482-W606 VanDerWaalsContact O-CD1 3.3Å; R482-W606 PolarHBondContact O-NE1 3.47Å; R482-T608 HydrophobicContact CB-CG2 4.31Å; R482-T608 PolarHBondContact NH1-O 3.5Å; R482-W610 PolarHBondContact NH1-O 3.32Å; R482-Y613 PolarHBondContact NH2-OH 3.23Å
483	E	98.6	Very high	98.1	Very high	130 Å²	130	24.9 Å²	24.9	61%	0.607	11%	0.114	S	C	*	.	I	π-helix	trans	-72.5	-56.1	-178.6	-175.1	175.5	-166.4	0	0	112.7	E479 M480 W606	E479-E483 WeakPolarHBondContact O-CB 3.34Å; E479-E483 PolarHBondContact O-N 2.9Å; M480-E483 PolarHBondContact O-N 3.42Å; E483-W606 PolarHBondContact O-NE1 3.37Å
484	I	98.8	Very high	97.9	Very high	21 Å²	21	28.3 Å²	28.3	11%	0.108	13%	0.132	C	C	.	.	I	π-helix	trans	-89.1	-37.2	-167.6	-63.9	166.9	0	0	0	112.4	F230 P451 Y454 M455 M480	F230-I484 HydrophobicContact CE1-CG2 3.89Å; F230-I484 HydrophobicContact CZ-CG2 3.69Å; P451-I484 HydrophobicContact CB-CG2 4.5Å; Y454-I484 HydrophobicContact CD1-CG2 3.68Å; Y454-I484 HydrophobicContact CE1-CD1 4.19Å; Y454-I484 HydrophobicContact CE1-CG2 3.78Å; M455-I484 HydrophobicContact CB-CB 4.24Å; M455-I484 HydrophobicContact CB-CD1 4.41Å; M455-I484 HydrophobicContact CB-CG2 3.94Å; M455-I484 HydrophobicContact CG-CB 4.05Å; M455-I484 HydrophobicContact CG-CD1 3.99Å; M455-I484 HydrophobicContact CG-CG2 4.32Å; M480-I484 HydrophobicContact CB-CD1 4.47Å; M480-I484 HydrophobicContact CE-CD1 4.34Å; M480-I484 WeakPolarHBondContact O-CB 3.38Å; M480-I484 PolarHBondContact O-N 2.88Å
485	V	98.8	Very high	97.8	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	14%	0.142	C	C	.	.	I	π-helix	trans	-101.5	-14.3	-175	-159.7	0	0	0	0	111.6	Y237 P451 M455 K481 V487	Y237-V485 PolarHBondContact OH-O 2.92Å; P451-V485 HydrophobicContact CB-CG1 4.32Å; P451-V485 HydrophobicContact CB-CG2 4.39Å; M455-V485 HydrophobicContact CB-CG2 3.86Å; M455-V485 HydrophobicContact CE-CG2 4.27Å; M455-V485 HydrophobicContact CG-CG2 4.03Å; K481-V485 HydrophobicContact CD-CG2 4.38Å; K481-V485 CarbonylContact O-C 3.54Å; K481-V485 WeakPolarHBondContact O-CA 3.31Å; K481-V485 WeakPolarHBondContact O-CB 3.23Å; K481-V485 PolarHBondContact O-N 3.25Å; V485-V487 HydrophobicContact CB-CB 4.34Å; V485-V487 HydrophobicContact CB-CG2 4.26Å; V485-V487 HydrophobicContact CG1-CB 4.32Å; V485-V487 HydrophobicContact CG1-CG2 3.78Å; V485-V487 PolarHBondContact O-N 3.28Å
486	G	98.7	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.			trans	61.4	32.9	-173.6	0	0	0	0	0	112.9	H241 C261 L262 K481 W606	H241-G486 PolarHBondContact NE2-O 3.36Å; C261-G486 CarbonylContact C-O 3.56Å; C261-G486 WeakPolarHBondContact CA-O 3.28Å; C261-G486 WeakPolarHBondContact CB-O 3.18Å; L262-G486 PolarHBondContact N-O 3.4Å; K481-G486 PolarHBondContact O-N 3.5Å; K481-G486 VanDerWaalsContact O-N 3.1Å; G486-W606 VanDerWaalsContact CA-CD2 3.42Å
487	V	98.9	Very high	97.7	Very high	1 Å²	1	26 Å²	26	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.4	-178	169.9	0	0	0	0	109.4	L262 A264 L267 K481 R482 V485	L262-V487 CarbonylContact O-C 3.57Å; L262-V487 WeakPolarHBondContact O-CA 3.22Å; A264-V487 HydrophobicContact CB-CG1 3.63Å; L267-V487 HydrophobicContact CD1-CB 4.43Å; L267-V487 HydrophobicContact CD1-CG1 3.78Å; L267-V487 HydrophobicContact CD1-CG2 3.68Å; K481-V487 CarbonylContact C-O 3.03Å; K481-V487 HydrophobicContact CD-CB 4.49Å; K481-V487 HydrophobicContact CD-CG1 4.44Å; K481-V487 PolarHBondContact O-N 3.03Å; K481-V487 VanDerWaalsContact O-N 3.09Å; R482-V487 WeakPolarHBondContact CA-O 3.45Å; R482-V487 PolarHBondContact N-O 3.42Å; V485-V487 HydrophobicContact CB-CB 4.34Å; V485-V487 HydrophobicContact CB-CG2 4.26Å; V485-V487 HydrophobicContact CG1-CB 4.32Å; V485-V487 HydrophobicContact CG1-CG2 3.78Å; V485-V487 PolarHBondContact O-N 3.28Å
488	V	98.7	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.3	-176.5	58.1	0	0	0	0	111.5	C261 L262 P263 A264 R482 W610	C261-V488 HydrophobicContact CB-CB 3.67Å; C261-V488 HydrophobicContact CB-CG1 3.6Å; L262-V488 PolarHBondContact O-N 2.92Å; P263-V488 WeakPolarHBondContact CA-O 3.45Å; A264-V488 WeakPolarHBondContact CB-O 3.2Å; A264-V488 PolarHBondContact N-O 2.86Å; R482-V488 HydrophobicContact CG-CB 4.34Å; R482-V488 VanDerWaalsContact CZ-CG2 3.42Å; V488-W610 HydrophobicContact CG1-CE3 4.07Å; V488-W610 HydrophobicContact CG1-CZ3 3.77Å
489	E	98.4	Very high	97.7	Very high	15 Å²	15	25.1 Å²	25.1	7%	0.07	13%	0.125	C	C	.	.			trans	-62.9	135.7	171.4	66.6	-75.4	-169.8	0	0	111.4	W165 W478 R482 V491 Y613	W165-E489 HydrophobicContact CH2-CB 4.42Å; W478-E489 HydrophobicContact CD2-CB 3.66Å; W478-E489 HydrophobicContact CD2-CG 4.1Å; W478-E489 HydrophobicContact CE3-CB 3.74Å; W478-E489 HydrophobicContact CE3-CG 4.36Å; W478-E489 HydrophobicContact CG-CB 4.3Å; W478-E489 HydrophobicContact CG-CG 4.23Å; W478-E489 HydrophobicContact CH2-CB 4.01Å; W478-E489 HydrophobicContact CZ2-CB 3.9Å; W478-E489 HydrophobicContact CZ3-CB 3.92Å; R482-E489 IonicContact CZ-OE1 3.15Å; R482-E489 IonicContact CZ-OE2 3.38Å; R482-E489 IonicContact NE-OE1 2.69Å; R482-E489 PolarHBondContact NE-OE1 2.83Å; R482-E489 IonicContact NE-OE2 3.5Å; R482-E489 PolarHBondContact NE-OE2 2.88Å; R482-E489 IonicContact NH2-OE1 2.72Å; R482-E489 PolarHBondContact NH2-OE1 3.1Å; R482-E489 IonicContact NH2-OE2 2.75Å; R482-E489 PolarHBondContact NH2-OE2 3.39Å; E489-V491 VanDerWaalsContact C-N 3.26Å; E489-V491 WeakPolarHBondContact CB-O 3.38Å; E489-V491 WeakPolarHBondContact CG-O 3.5Å; E489-Y613 PolarHBondContact OE1-OH 3.13Å
490	P	97.3	Very high	97.7	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.026	11%	0.109	C	C	.	.	S	Bend	trans	-77.6	-14	175.8	34	-36.7	0	0	0	113.2	L162 W165 H265 Y613	L162-P490 HydrophobicContact CD1-CB 3.53Å; L162-P490 HydrophobicContact CD1-CG 3.41Å; L162-P490 VanDerWaalsContact CD1-CG 3.41Å; W165-P490 HydrophobicContact CD2-CG 4.22Å; W165-P490 HydrophobicContact CE3-CG 3.66Å; W165-P490 HydrophobicContact CH2-CG 4.18Å; W165-P490 HydrophobicContact CZ3-CG 3.65Å; H265-P490 WeakPolarHBondContact ND1-CB 3.16Å; P490-Y613 WeakPolarHBondContact O-CD1 3.22Å
491	V	96.2	Very high	97.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.106	C	C	.	.	S	Bend	trans	-141.9	136.8	-178.9	178.8	0	0	0	0	106.7	L162 E489 H493 V691	L162-V491 HydrophobicContact CD1-CG2 4.25Å; E489-V491 VanDerWaalsContact C-N 3.26Å; E489-V491 WeakPolarHBondContact CB-O 3.38Å; E489-V491 WeakPolarHBondContact CG-O 3.5Å; V491-H493 PolarHBondContact O-CD2 3.43Å; V491-H493 PolarHBondContact O-N 3.01Å; V491-V691 HydrophobicContact CG2-CG2 3.66Å
492	P	95.8	Very high	97.7	Very high	15 Å²	15	20.9 Å²	20.9	10%	0.097	11%	0.106	C	C	.	.			trans	-72.9	125.4	178.4	30.1	-34.2	0	0	0	110.6	Y613 R671 V672 A673 Y684	P492-Y613 HydrophobicContact CB-CE2 4.37Å; P492-Y613 HydrophobicContact CG-CE2 4.29Å; P492-R671 HydrophobicContact CG-CB 4.23Å; P492-V672 WeakPolarHBondContact CB-O 3.41Å; P492-V672 WeakPolarHBondContact CG-O 3.36Å; P492-A673 HydrophobicContact CB-CB 3.74Å; P492-A673 HydrophobicContact CG-CB 4.05Å; P492-Y684 VanDerWaalsContact CD-OH 3.23Å; P492-Y684 WeakPolarHBondContact CD-OH 3.44Å; P492-Y684 HydrophobicContact CG-CE1 3.99Å
493	H	96.2	Very high	97.5	Very high	19 Å²	19	19.8 Å²	19.8	9%	0.088	10%	0.102	C	C	.	.			trans	-102.3	128.4	-178.7	-70.9	-164.1	0	0	0	110.7	W165 E166 M474 V491 Y497 D499	W165-H493 AromaticContact CH2-CE1 3.72Å; W165-H493 AromaticContact CZ3-CE1 3.51Å; W165-H493 AromaticContact CZ3-NE2 3.58Å; E166-H493 IonicContact OE2-CE1 2.73Å; E166-H493 IonicContact OE2-NE2 2.73Å; E166-H493 PolarHBondContact OE2-NE2 2.95Å; M474-H493 HydrophobicContact CE-CB 4.3Å; V491-H493 PolarHBondContact O-CD2 3.43Å; V491-H493 PolarHBondContact O-N 3.01Å; H493-Y497 HydrophobicContact CB-CD1 4.33Å; H493-Y497 HydrophobicContact CB-CD2 3.79Å; H493-Y497 HydrophobicContact CB-CE2 4.21Å; H493-Y497 HydrophobicContact CB-CG 3.85Å; H493-Y497 AromaticContact CD2-CE1 4Å; H493-Y497 AromaticContact CD2-CZ 3.95Å; H493-Y497 AromaticContact CE1-CD1 3.68Å; H493-Y497 AromaticContact CE1-CE1 3.54Å; H493-Y497 AromaticContact CG-CD1 3.8Å; H493-Y497 AromaticContact CG-CE1 3.91Å; H493-Y497 AromaticContact CG-CG 3.84Å; H493-Y497 AromaticContact ND1-CD1 3.34Å; H493-Y497 VanDerWaalsContact ND1-CD1 3.34Å; H493-Y497 WeakPolarHBondContact ND1-CD1 3.5Å; H493-Y497 AromaticContact ND1-CE1 3.63Å; H493-Y497 AromaticContact ND1-CG 3.74Å; H493-Y497 AromaticContact NE2-CE1 3.82Å; H493-D499 IonicContact CE1-OD1 3.2Å; H493-D499 IonicContact CE1-OD2 2.63Å; H493-D499 IonicContact CG-OD2 2.71Å; H493-D499 VanDerWaalsContact ND1-CG 3.32Å; H493-D499 IonicContact ND1-OD1 2.67Å; H493-D499 PolarHBondContact ND1-OD1 3.21Å; H493-D499 IonicContact ND1-OD2 2.71Å; H493-D499 PolarHBondContact ND1-OD2 3.39Å
494	D	93.8	Very high	97.1	Very high	76 Å²	76	16.6 Å²	16.6	41%	0.406	9%	0.086	S	C	.	.			trans	-87.5	-179.8	174.2	66.9	20.6	0	0	0	111.9	M474 T496 Y497	M474-D494 WeakPolarHBondContact CG-O 3.48Å; D494-T496 PolarHBondContact O-N 3.38Å; D494-T496 VanDerWaalsContact O-N 3.09Å; D494-T496 WeakPolarHBondContact OD1-CA 3.46Å; D494-T496 VanDerWaalsContact OD1-CB 3.22Å; D494-T496 WeakPolarHBondContact OD1-CB 3.5Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.44Å; D494-T496 PolarHBondContact OD1-N 2.8Å; D494-T496 PolarHBondContact OD1-OG1 3.14Å; D494-Y497 PolarHBondContact O-N 2.98Å; D494-Y497 VanDerWaalsContact O-N 3.09Å; D494-Y497 WeakPolarHBondContact OD1-CD2 3.47Å
495	E	95.8	Very high	96.9	Very high	46 Å²	46	16.2 Å²	16.2	22%	0.215	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	7.3	-179.8	-58.9	-61.2	156.5	0	0	114.1	R177 D471 Q472 W473 M474 K475 Y497	R177-E495 IonicContact CZ-OE2 2.86Å; R177-E495 PolarHBondContact NE-O 2.96Å; R177-E495 PolarHBondContact NH1-O 3.44Å; R177-E495 VanDerWaalsContact NH1-O 3.08Å; R177-E495 IonicContact NH1-OE2 3.46Å; R177-E495 PolarHBondContact NH1-OE2 3.09Å; R177-E495 IonicContact NH2-OE2 2.97Å; R177-E495 PolarHBondContact NH2-OE2 3.08Å; D471-E495 WeakPolarHBondContact O-CG 3.42Å; Q472-E495 WeakPolarHBondContact CA-OE1 3.23Å; W473-E495 WeakPolarHBondContact CB-OE2 3.49Å; W473-E495 PolarHBondContact N-OE1 2.94Å; W473-E495 VanDerWaalsContact N-OE1 3.17Å; W473-E495 PolarHBondContact N-OE2 3.49Å; M474-E495 WeakPolarHBondContact CA-OE1 3.17Å; M474-E495 VanDerWaalsContact N-CD 3.29Å; M474-E495 PolarHBondContact N-OE1 3.17Å; M474-E495 PolarHBondContact N-OE2 3.06Å; K475-E495 PolarHBondContact N-OE1 2.75Å; E495-Y497 VanDerWaalsContact C-N 3.32Å
496	T	96.4	Very high	96.8	Very high	65 Å²	65	16.1 Å²	16.1	40%	0.399	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-24	163.4	71.7	0	0	0	0	111.9	K174 D494	K174-T496 WeakPolarHBondContact CE-OG1 3.41Å; K174-T496 WeakPolarHBondContact CG-O 3.45Å; K174-T496 PolarHBondContact NZ-OG1 3.06Å; D494-T496 PolarHBondContact O-N 3.38Å; D494-T496 VanDerWaalsContact O-N 3.09Å; D494-T496 WeakPolarHBondContact OD1-CA 3.46Å; D494-T496 VanDerWaalsContact OD1-CB 3.22Å; D494-T496 WeakPolarHBondContact OD1-CB 3.5Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.44Å; D494-T496 PolarHBondContact OD1-N 2.8Å; D494-T496 PolarHBondContact OD1-OG1 3.14Å
497	Y	98.4	Very high	96.5	Very high	10 Å²	10	16.1 Å²	16.1	4%	0.039	8%	0.083	C	C	.	.			trans	-81.4	162.2	178.6	-67.9	-102.4	0	0	0	112.3	E166 R169 K174 R177 M474 H493 D494 E495	E166-Y497 PolarHBondContact OE1-OH 2.97Å; E166-Y497 WeakPolarHBondContact OE2-CE1 3.36Å; R169-Y497 HydrophobicContact CB-CD1 4.07Å; R169-Y497 HydrophobicContact CB-CE1 4.21Å; K174-Y497 VanDerWaalsContact CE-CE1 3.42Å; K174-Y497 HydrophobicContact CG-CD1 4.35Å; K174-Y497 HydrophobicContact CG-CG 4.43Å; K174-Y497 VanDerWaalsContact NZ-CZ 3.35Å; R177-Y497 WeakPolarHBondContact CD-O 3.36Å; R177-Y497 PolarHBondContact NH1-O 3.35Å; M474-Y497 WeakPolarHBondContact CG-O 3.34Å; H493-Y497 HydrophobicContact CB-CD1 4.33Å; H493-Y497 HydrophobicContact CB-CD2 3.79Å; H493-Y497 HydrophobicContact CB-CE2 4.21Å; H493-Y497 HydrophobicContact CB-CG 3.85Å; H493-Y497 AromaticContact CD2-CE1 4Å; H493-Y497 AromaticContact CD2-CZ 3.95Å; H493-Y497 AromaticContact CE1-CD1 3.68Å; H493-Y497 AromaticContact CE1-CE1 3.54Å; H493-Y497 AromaticContact CG-CD1 3.8Å; H493-Y497 AromaticContact CG-CE1 3.91Å; H493-Y497 AromaticContact CG-CG 3.84Å; H493-Y497 AromaticContact ND1-CD1 3.34Å; H493-Y497 VanDerWaalsContact ND1-CD1 3.34Å; H493-Y497 WeakPolarHBondContact ND1-CD1 3.5Å; H493-Y497 AromaticContact ND1-CE1 3.63Å; H493-Y497 AromaticContact ND1-CG 3.74Å; H493-Y497 AromaticContact NE2-CE1 3.82Å; D494-Y497 PolarHBondContact O-N 2.98Å; D494-Y497 VanDerWaalsContact O-N 3.09Å; D494-Y497 WeakPolarHBondContact OD1-CD2 3.47Å; E495-Y497 VanDerWaalsContact C-N 3.32Å
498	C	98.5	Very high	96	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.			trans	-145.1	62	168.3	-159.1	0	0	0	0	110.1	G173 R177 P500 A501 S502	G173-C498 WeakPolarHBondContact O-CB 3.13Å; R177-C498 HydrophobicContact CB-CB 3.81Å; R177-C498 HydrophobicContact CG-CB 4.45Å; C498-P500 VanDerWaalsContact C-N 3.28Å; C498-A501 HydrophobicContact CB-CB 4.23Å; C498-A501 PolarHBondContact O-N 2.73Å; C498-S502 PolarHBondContact O-N 3.36Å
499	D	98.6	Very high	95.8	Very high	3 Å²	3	19 Å²	19	2%	0.016	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-53.9	-33.9	-177.9	-52.8	-17.6	0	0	0	114.3	M474 W478 H493 A501 S502	M474-D499 HydrophobicContact CE-CB 3.68Å; M474-D499 WeakPolarHBondContact CE-OD2 3.3Å; M474-D499 HydrophobicContact SD-CB 4.47Å; M474-D499 PolarHBondContact SD-N 3.48Å; W478-D499 WeakPolarHBondContact CZ2-OD2 3.34Å; W478-D499 PolarHBondContact NE1-OD2 3.41Å; H493-D499 IonicContact CE1-OD1 3.2Å; H493-D499 IonicContact CE1-OD2 2.63Å; H493-D499 IonicContact CG-OD2 2.71Å; H493-D499 VanDerWaalsContact ND1-CG 3.32Å; H493-D499 IonicContact ND1-OD1 2.67Å; H493-D499 PolarHBondContact ND1-OD1 3.21Å; H493-D499 IonicContact ND1-OD2 2.71Å; H493-D499 PolarHBondContact ND1-OD2 3.39Å; D499-A501 VanDerWaalsContact C-N 3.3Å; D499-A501 PolarHBondContact O-N 3.12Å; D499-S502 WeakPolarHBondContact O-CB 3.37Å; D499-S502 PolarHBondContact O-N 3.45Å; D499-S502 VanDerWaalsContact O-N 3.12Å; D499-S502 PolarHBondContact O-OG 2.92Å
500	P	98.6	Very high	95.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-57.6	-42.3	172.8	-25.9	35.2	0	0	0	112.6	W459 W477 C498 S502 L503 V506	W459-P500 HydrophobicContact CD2-CG 4.29Å; W459-P500 HydrophobicContact CE3-CB 4.13Å; W459-P500 HydrophobicContact CE3-CG 4.14Å; W459-P500 HydrophobicContact CH2-CB 4Å; W459-P500 HydrophobicContact CH2-CG 3.74Å; W459-P500 HydrophobicContact CZ2-CG 3.87Å; W459-P500 HydrophobicContact CZ3-CB 3.73Å; W459-P500 HydrophobicContact CZ3-CG 3.87Å; W477-P500 HydrophobicContact CB-CG 4.48Å; W477-P500 HydrophobicContact CD2-CG 3.64Å; W477-P500 HydrophobicContact CE3-CB 4.38Å; W477-P500 HydrophobicContact CE3-CG 3.66Å; W477-P500 HydrophobicContact CG-CG 4.02Å; W477-P500 HydrophobicContact CH2-CB 4.4Å; W477-P500 HydrophobicContact CH2-CG 4.32Å; W477-P500 HydrophobicContact CZ2-CG 4.34Å; W477-P500 HydrophobicContact CZ3-CB 4.23Å; W477-P500 HydrophobicContact CZ3-CG 4Å; C498-P500 VanDerWaalsContact C-N 3.28Å; P500-S502 PolarHBondContact O-N 3.4Å; P500-L503 PolarHBondContact O-N 2.8Å; P500-V506 HydrophobicContact CB-CG1 4.43Å; P500-V506 WeakPolarHBondContact O-CB 3.42Å; P500-V506 WeakPolarHBondContact O-CG2 3.42Å
501	A	98.2	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-72.5	-13.8	178.9	0	0	0	0	0	113.2	L176 Y180 C498 D499 L503 V506	L176-A501 HydrophobicContact CB-CB 3.89Å; L176-A501 HydrophobicContact CD1-CB 4.04Å; L176-A501 WeakPolarHBondContact CD1-O 3.46Å; Y180-A501 HydrophobicContact CD2-CB 4.4Å; Y180-A501 HydrophobicContact CG-CB 4.49Å; C498-A501 HydrophobicContact CB-CB 4.23Å; C498-A501 PolarHBondContact O-N 2.73Å; D499-A501 VanDerWaalsContact C-N 3.3Å; D499-A501 PolarHBondContact O-N 3.12Å; A501-L503 PolarHBondContact O-N 3.49Å; A501-L503 VanDerWaalsContact O-N 3.07Å; A501-V506 HydrophobicContact CB-CG1 4.31Å
502	S	97.5	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-69.1	1.6	173.9	78.9	0	0	0	0	114.2	Y127 W168 W271 C498 D499 P500	Y127-S502 WeakPolarHBondContact CE2-O 3.37Å; W168-S502 PolarHBondContact NE1-O 2.89Å; W271-S502 WeakPolarHBondContact CZ2-O 3.39Å; W271-S502 PolarHBondContact NE1-O 3.22Å; W271-S502 PolarHBondContact NE1-OG 2.91Å; C498-S502 PolarHBondContact O-N 3.36Å; D499-S502 WeakPolarHBondContact O-CB 3.37Å; D499-S502 PolarHBondContact O-N 3.45Å; D499-S502 VanDerWaalsContact O-N 3.12Å; D499-S502 PolarHBondContact O-OG 2.92Å; P500-S502 PolarHBondContact O-N 3.4Å
503	L	96.1	Very high	95.1	Very high	7 Å²	7	23 Å²	23	4%	0.037	11%	0.112	C	C	.	.	S	Bend	trans	-115.7	134.2	178.5	-177.9	153.2	0	0	0	110.8	W271 F452 L456 P500 A501 H505 V506 S507 F512	W271-L503 HydrophobicContact CB-CD1 4.33Å; W271-L503 HydrophobicContact CD2-CB 4.42Å; W271-L503 HydrophobicContact CD2-CD1 4.07Å; W271-L503 HydrophobicContact CD2-CG 4.33Å; W271-L503 HydrophobicContact CG-CB 4.4Å; W271-L503 HydrophobicContact CG-CD1 3.97Å; F452-L503 HydrophobicContact CE1-CD1 3.81Å; F452-L503 HydrophobicContact CZ-CD1 3.54Å; L456-L503 HydrophobicContact CD1-CD1 4.33Å; P500-L503 PolarHBondContact O-N 2.8Å; A501-L503 PolarHBondContact O-N 3.49Å; A501-L503 VanDerWaalsContact O-N 3.07Å; L503-H505 HydrophobicContact CD2-CB 3.85Å; L503-H505 PolarHBondContact O-N 2.82Å; L503-V506 HydrophobicContact CD2-CG2 4.4Å; L503-V506 PolarHBondContact O-N 3.12Å; L503-S507 PolarHBondContact O-N 3.44Å; L503-F512 HydrophobicContact CD2-CE2 4.14Å
504	F	89.3	Confident	94.9	Very high	63 Å²	63	25 Å²	25	28%	0.276	12%	0.119	S	C	.	.	H	α-helix	trans	-42.1	-57.4	-172.2	179.2	-107	0	0	0	114.8	Y127 V506 S507 N508 Y510	Y127-F504 HydrophobicContact CD1-CD2 4.01Å; Y127-F504 HydrophobicContact CE1-CB 3.87Å; Y127-F504 AromaticContact CE1-CD2 3.8Å; Y127-F504 HydrophobicContact CE1-CD2 3.8Å; Y127-F504 HydrophobicContact CE1-CG 4.32Å; Y127-F504 HydrophobicContact CE2-CB 4.22Å; Y127-F504 PolarHBondContact OH-N 3.42Å; F504-V506 PolarHBondContact O-N 3.23Å; F504-S507 PolarHBondContact O-N 3.1Å; F504-S507 PolarHBondContact O-OG 2.86Å; F504-N508 HydrophobicContact CD2-CB 4.27Å; F504-N508 HydrophobicContact CE2-CB 4.06Å; F504-N508 WeakPolarHBondContact CE2-ND2 3.31Å; F504-N508 HydrophobicContact CZ-CB 4.18Å; F504-N508 WeakPolarHBondContact O-CB 3.33Å; F504-N508 PolarHBondContact O-N 3.28Å; F504-N508 PolarHBondContact O-OD1 2.95Å; F504-Y510 HydrophobicContact CE1-CD2 4.05Å; F504-Y510 AromaticContact CE1-CE2 3.88Å; F504-Y510 HydrophobicContact CE1-CE2 3.88Å; F504-Y510 HydrophobicContact CZ-CE2 4.11Å
505	H	94	Very high	95	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.056	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-22	-175.5	-59.7	74.7	0	0	0	114.1	R460 L503 D509 Y510 F512 Y515	R460-H505 PolarHBondContact NH2-O 2.61Å; R460-H505 VanDerWaalsContact NH2-O 3.09Å; L503-H505 HydrophobicContact CD2-CB 3.85Å; L503-H505 PolarHBondContact O-N 2.82Å; H505-D509 PolarHBondContact O-N 3.41Å; H505-Y510 PolarHBondContact O-N 2.96Å; H505-Y510 VanDerWaalsContact O-O 3.12Å; H505-F512 HydrophobicContact CB-CD2 3.62Å; H505-F512 HydrophobicContact CB-CE2 4.05Å; H505-F512 AromaticContact CD2-CD2 3.9Å; H505-F512 AromaticContact CG-CD2 3.57Å; H505-F512 AromaticContact CG-CE2 3.7Å; H505-F512 AromaticContact ND1-CE2 3.65Å; H505-Y515 AromaticContact CD2-CE2 3.72Å; H505-Y515 AromaticContact NE2-CE2 3.48Å; H505-Y515 WeakPolarHBondContact NE2-CE2 3.38Å; H505-Y515 AromaticContact NE2-CZ 3.64Å; H505-Y515 PolarHBondContact NE2-OH 3.34Å; H505-Y515 VanDerWaalsContact NE2-OH 3.1Å
506	V	97.3	Very high	95.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-88.3	-44.1	177.6	-173.9	0	0	0	0	111.2	Y180 L456 P500 A501 L503 F504 N508	Y180-V506 HydrophobicContact CD2-CG1 4.33Å; Y180-V506 HydrophobicContact CE1-CG1 4.5Å; Y180-V506 HydrophobicContact CE2-CG1 3.54Å; Y180-V506 WeakPolarHBondContact CE2-O 3.25Å; L456-V506 HydrophobicContact CD1-CG2 4.32Å; L456-V506 HydrophobicContact CD2-CG2 4.18Å; P500-V506 HydrophobicContact CB-CG1 4.43Å; P500-V506 WeakPolarHBondContact O-CB 3.42Å; P500-V506 WeakPolarHBondContact O-CG2 3.42Å; A501-V506 HydrophobicContact CB-CG1 4.31Å; L503-V506 HydrophobicContact CD2-CG2 4.4Å; L503-V506 PolarHBondContact O-N 3.12Å; F504-V506 PolarHBondContact O-N 3.23Å; V506-N508 PolarHBondContact O-N 2.78Å
507	S	93.2	Very high	95.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67.1	-24.9	172.8	53.7	0	0	0	0	113.5	M123 Y127 L503 F504	M123-S507 WeakPolarHBondContact CB-O 3.18Å; Y127-S507 WeakPolarHBondContact CD2-OG 3.43Å; L503-S507 PolarHBondContact O-N 3.44Å; F504-S507 PolarHBondContact O-N 3.1Å; F504-S507 PolarHBondContact O-OG 2.86Å
508	N	88.9	Confident	95	Very high	31 Å²	31	18.5 Å²	18.5	17%	0.166	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	20.5	-173.6	-65.1	60.8	0	0	0	113.5	S124 F504 V506 Y510	S124-N508 WeakPolarHBondContact CB-ND2 3.26Å; S124-N508 PolarHBondContact OG-ND2 3.44Å; F504-N508 HydrophobicContact CD2-CB 4.27Å; F504-N508 HydrophobicContact CE2-CB 4.06Å; F504-N508 WeakPolarHBondContact CE2-ND2 3.31Å; F504-N508 HydrophobicContact CZ-CB 4.18Å; F504-N508 WeakPolarHBondContact O-CB 3.33Å; F504-N508 PolarHBondContact O-N 3.28Å; F504-N508 PolarHBondContact O-OD1 2.95Å; V506-N508 PolarHBondContact O-N 2.78Å; N508-Y510 VanDerWaalsContact C-N 3.3Å; N508-Y510 HydrophobicContact CB-CD2 4.02Å; N508-Y510 HydrophobicContact CB-CE2 4.02Å; N508-Y510 VanDerWaalsContact O-CD2 3.24Å; N508-Y510 WeakPolarHBondContact O-CD2 3.21Å; N508-Y510 WeakPolarHBondContact O-CE2 3.34Å; N508-Y510 PolarHBondContact O-N 2.99Å
509	D	93.4	Very high	95	Very high	32 Å²	32	18.7 Å²	18.7	17%	0.171	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	23.3	162.7	-171.5	46.5	0	0	0	116.4	L120 Y183 K187 H505	L120-D509 HydrophobicContact CD2-CB 3.63Å; Y183-D509 HydrophobicContact CE2-CB 4.13Å; Y183-D509 WeakPolarHBondContact CE2-OD1 3.39Å; Y183-D509 PolarHBondContact OH-OD1 3.03Å; K187-D509 WeakPolarHBondContact CE-OD1 3.47Å; K187-D509 WeakPolarHBondContact CE-OD2 3.32Å; K187-D509 IonicContact NZ-OD1 2.64Å; K187-D509 PolarHBondContact NZ-OD1 2.87Å; K187-D509 IonicContact NZ-OD2 3.32Å; K187-D509 PolarHBondContact NZ-OD2 3.2Å; H505-D509 PolarHBondContact O-N 3.41Å
510	Y	87.6	Confident	94.9	Very high	111 Å²	111	18.6 Å²	18.6	44%	0.435	8%	0.08	S	C	.	.			trans	-90.4	140.7	175.9	-69.3	-72.3	0	0	0	112.2	R460 F504 H505 N508	R460-Y510 PolarHBondContact NH1-O 3.24Å; R460-Y510 PolarHBondContact NH2-O 3.23Å; F504-Y510 HydrophobicContact CE1-CD2 4.05Å; F504-Y510 AromaticContact CE1-CE2 3.88Å; F504-Y510 HydrophobicContact CE1-CE2 3.88Å; F504-Y510 HydrophobicContact CZ-CE2 4.11Å; H505-Y510 PolarHBondContact O-N 2.96Å; H505-Y510 VanDerWaalsContact O-O 3.12Å; N508-Y510 VanDerWaalsContact C-N 3.3Å; N508-Y510 HydrophobicContact CB-CD2 4.02Å; N508-Y510 HydrophobicContact CB-CE2 4.02Å; N508-Y510 VanDerWaalsContact O-CD2 3.24Å; N508-Y510 WeakPolarHBondContact O-CD2 3.21Å; N508-Y510 WeakPolarHBondContact O-CE2 3.34Å; N508-Y510 PolarHBondContact O-N 2.99Å
511	S	92.1	Very high	94.9	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.028	8%	0.08	C	C	.	.			trans	-59.9	141.2	162	170.5	0	0	0	0	110.1	E398 R514	E398-S511 PolarHBondContact OE1-OG 3.42Å; E398-S511 WeakPolarHBondContact OE2-CB 3.15Å; E398-S511 PolarHBondContact OE2-OG 2.99Å; E398-S511 VanDerWaalsContact OE2-OG 3.05Å; S511-R514 WeakPolarHBondContact O-CD 3.41Å; S511-R514 PolarHBondContact O-NE 3.09Å
512	F	95.6	Very high	94.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.08	C	C	.	.			trans	-111.4	-12	178.9	-154	-110	0	0	0	112.7	R273 F452 T453 L456 E457 L503 H505 R514 Y515	R273-F512 HydrophobicContact CG-CZ 4.46Å; F452-F512 AromaticContact CD1-CE1 3.97Å; F452-F512 HydrophobicContact CD1-CE1 3.97Å; F452-F512 HydrophobicContact CD1-CZ 4.39Å; F452-F512 AromaticContact CE1-CE1 3.9Å; F452-F512 HydrophobicContact CE1-CE1 3.9Å; F452-F512 HydrophobicContact CE1-CZ 4.01Å; T453-F512 HydrophobicContact CG2-CD1 3.68Å; T453-F512 HydrophobicContact CG2-CE1 3.95Å; T453-F512 WeakPolarHBondContact CG2-O 3.47Å; T453-F512 WeakPolarHBondContact OG1-CE1 3.16Å; L456-F512 HydrophobicContact CB-CD1 4.44Å; L456-F512 HydrophobicContact CD1-CD1 4.23Å; L456-F512 HydrophobicContact CD1-CE1 4.17Å; L456-F512 HydrophobicContact CD2-CB 3.86Å; L456-F512 HydrophobicContact CD2-CD1 3.79Å; L456-F512 HydrophobicContact CD2-CG 3.93Å; L456-F512 HydrophobicContact CG-CD1 4.39Å; E457-F512 HydrophobicContact CG-CB 3.87Å; E457-F512 WeakPolarHBondContact OE1-CA 3.25Å; E457-F512 WeakPolarHBondContact OE1-CB 3.48Å; E457-F512 PolarHBondContact OE1-N 3.35Å; L503-F512 HydrophobicContact CD2-CE2 4.14Å; H505-F512 HydrophobicContact CB-CD2 3.62Å; H505-F512 HydrophobicContact CB-CE2 4.05Å; H505-F512 AromaticContact CD2-CD2 3.9Å; H505-F512 AromaticContact CG-CD2 3.57Å; H505-F512 AromaticContact CG-CE2 3.7Å; H505-F512 AromaticContact ND1-CE2 3.65Å; F512-R514 VanDerWaalsContact C-N 3.25Å; F512-R514 PolarHBondContact O-N 2.95Å; F512-Y515 HydrophobicContact CD1-CD2 4.42Å; F512-Y515 AromaticContact CD2-CD2 3.59Å; F512-Y515 HydrophobicContact CD2-CD2 3.59Å; F512-Y515 AromaticContact CD2-CE2 3.74Å; F512-Y515 HydrophobicContact CD2-CE2 3.74Å; F512-Y515 AromaticContact CE2-CD2 3.74Å; F512-Y515 HydrophobicContact CE2-CD2 3.74Å; F512-Y515 AromaticContact CE2-CE2 3.89Å; F512-Y515 HydrophobicContact CE2-CE2 3.89Å; F512-Y515 AromaticContact CG-CD2 3.96Å; F512-Y515 HydrophobicContact CG-CD2 3.96Å; F512-Y515 HydrophobicContact CG-CE2 4.5Å; F512-Y515 HydrophobicContact CZ-CD2 4.23Å; F512-Y515 WeakPolarHBondContact O-CD2 3.49Å; F512-Y515 PolarHBondContact O-N 2.95Å; F512-Y515 VanDerWaalsContact O-N 3.1Å
513	I	97.3	Very high	94.8	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.015	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.2	-177	-162.3	66.4	0	0	0	112.3	Y207 V226 E398 E457 W461 Y515 Y516 T517	Y207-I513 HydrophobicContact CE2-CG2 4.02Å; V226-I513 HydrophobicContact CG1-CD1 4.15Å; V226-I513 HydrophobicContact CG2-CD1 4.06Å; V226-I513 HydrophobicContact CG2-CG1 4.35Å; E398-I513 WeakPolarHBondContact OE1-CG2 3.39Å; E457-I513 HydrophobicContact CB-CD1 4.29Å; E457-I513 HydrophobicContact CG-CB 4.02Å; W461-I513 HydrophobicContact CH2-CD1 3.92Å; W461-I513 HydrophobicContact CH2-CG1 3.97Å; W461-I513 HydrophobicContact CZ2-CB 4.05Å; W461-I513 HydrophobicContact CZ2-CD1 4.19Å; W461-I513 HydrophobicContact CZ2-CG1 3.94Å; W461-I513 HydrophobicContact CZ2-CG2 4.28Å; I513-Y515 PolarHBondContact O-N 2.64Å; I513-Y515 VanDerWaalsContact O-N 3.09Å; I513-Y516 HydrophobicContact CD1-CG 4.36Å; I513-Y516 WeakPolarHBondContact O-CA 3.42Å; I513-Y516 WeakPolarHBondContact O-CB 3.26Å; I513-Y516 PolarHBondContact O-N 3.13Å; I513-T517 HydrophobicContact CG1-CG2 4.46Å; I513-T517 PolarHBondContact O-N 3.47Å; I513-T517 VanDerWaalsContact O-N 3.1Å; I513-T517 PolarHBondContact O-OG1 2.95Å
514	R	93.4	Very high	94.9	Very high	62 Å²	62	18.6 Å²	18.6	23%	0.234	8%	0.08	C	C	.	.	H	α-helix	trans	-40.1	-42.9	164.4	56.5	-173.8	65.1	-178	-3.4	113.7	E398 S511 F512 Y516 T517 R518	E398-R514 HydrophobicContact CB-CB 4.11Å; E398-R514 HydrophobicContact CG-CB 3.81Å; E398-R514 PolarHBondContact OE1-N 2.86Å; E398-R514 IonicContact OE2-CZ 3.98Å; E398-R514 IonicContact OE2-NE 3.66Å; E398-R514 PolarHBondContact OE2-NE 3.35Å; E398-R514 IonicContact OE2-NH2 2.68Å; E398-R514 PolarHBondContact OE2-NH2 2.93Å; S511-R514 WeakPolarHBondContact O-CD 3.41Å; S511-R514 PolarHBondContact O-NE 3.09Å; F512-R514 VanDerWaalsContact C-N 3.25Å; F512-R514 PolarHBondContact O-N 2.95Å; R514-Y516 VanDerWaalsContact C-N 3.29Å; R514-Y516 PolarHBondContact O-N 3.27Å; R514-T517 PolarHBondContact O-N 3.27Å; R514-T517 PolarHBondContact O-OG1 3.15Å; R514-R518 WeakPolarHBondContact O-CB 3.32Å; R514-R518 PolarHBondContact O-N 2.84Å
515	Y	94.6	Very high	95.4	Very high	29 Å²	29	15.6 Å²	15.6	11%	0.114	7%	0.067	C	C	.	.	H	α-helix	trans	-70	-26.9	-177.7	-64.8	-65.3	0	0	0	112.9	E402 H505 F512 I513 T519	E402-Y515 VanDerWaalsContact CD-CE1 3.47Å; E402-Y515 WeakPolarHBondContact OE1-CE1 3.36Å; E402-Y515 PolarHBondContact OE1-OH 2.82Å; E402-Y515 VanDerWaalsContact OE1-OH 3.11Å; H505-Y515 AromaticContact CD2-CE2 3.72Å; H505-Y515 AromaticContact NE2-CE2 3.48Å; H505-Y515 WeakPolarHBondContact NE2-CE2 3.38Å; H505-Y515 AromaticContact NE2-CZ 3.64Å; H505-Y515 PolarHBondContact NE2-OH 3.34Å; H505-Y515 VanDerWaalsContact NE2-OH 3.1Å; F512-Y515 HydrophobicContact CD1-CD2 4.42Å; F512-Y515 AromaticContact CD2-CD2 3.59Å; F512-Y515 HydrophobicContact CD2-CD2 3.59Å; F512-Y515 AromaticContact CD2-CE2 3.74Å; F512-Y515 HydrophobicContact CD2-CE2 3.74Å; F512-Y515 AromaticContact CE2-CD2 3.74Å; F512-Y515 HydrophobicContact CE2-CD2 3.74Å; F512-Y515 AromaticContact CE2-CE2 3.89Å; F512-Y515 HydrophobicContact CE2-CE2 3.89Å; F512-Y515 AromaticContact CG-CD2 3.96Å; F512-Y515 HydrophobicContact CG-CD2 3.96Å; F512-Y515 HydrophobicContact CG-CE2 4.5Å; F512-Y515 HydrophobicContact CZ-CD2 4.23Å; F512-Y515 WeakPolarHBondContact O-CD2 3.49Å; F512-Y515 PolarHBondContact O-N 2.95Å; F512-Y515 VanDerWaalsContact O-N 3.1Å; I513-Y515 PolarHBondContact O-N 2.64Å; I513-Y515 VanDerWaalsContact O-N 3.09Å; Y515-T519 WeakPolarHBondContact O-CB 3.17Å; Y515-T519 PolarHBondContact O-OG1 3.15Å
516	Y	97.9	Very high	95.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-77.1	-52.1	174.7	-174.5	-84.3	0	0	0	110.6	V226 T229 F230 I233 L450 I513 R514 T519 L520	V226-Y516 HydrophobicContact CB-CD1 4.5Å; V226-Y516 HydrophobicContact CB-CE1 4.16Å; V226-Y516 HydrophobicContact CG1-CD1 4.14Å; V226-Y516 HydrophobicContact CG1-CE1 3.92Å; V226-Y516 HydrophobicContact CG1-CE2 4.5Å; V226-Y516 HydrophobicContact CG2-CD1 3.91Å; V226-Y516 HydrophobicContact CG2-CE1 3.95Å; V226-Y516 PolarHBondContact O-OH 2.78Å; T229-Y516 VanDerWaalsContact C-OH 3.31Å; T229-Y516 WeakPolarHBondContact OG1-CE1 3.37Å; T229-Y516 PolarHBondContact OG1-OH 3.04Å; F230-Y516 WeakPolarHBondContact CA-OH 3.09Å; F230-Y516 HydrophobicContact CD2-CE2 4.46Å; F230-Y516 PolarHBondContact N-OH 3.1Å; I233-Y516 HydrophobicContact CD1-CE2 4.2Å; L450-Y516 HydrophobicContact CD2-CD2 3.49Å; L450-Y516 VanDerWaalsContact CD2-CD2 3.49Å; L450-Y516 HydrophobicContact CD2-CE2 3.71Å; L450-Y516 HydrophobicContact CD2-CG 4.16Å; I513-Y516 HydrophobicContact CD1-CG 4.36Å; I513-Y516 WeakPolarHBondContact O-CA 3.42Å; I513-Y516 WeakPolarHBondContact O-CB 3.26Å; I513-Y516 PolarHBondContact O-N 3.13Å; R514-Y516 VanDerWaalsContact C-N 3.29Å; R514-Y516 PolarHBondContact O-N 3.27Å; Y516-T519 WeakPolarHBondContact O-CB 3.47Å; Y516-T519 PolarHBondContact O-N 3.1Å; Y516-L520 HydrophobicContact CD1-CD1 4.38Å; Y516-L520 HydrophobicContact CE1-CD1 3.99Å; Y516-L520 HydrophobicContact CE1-CD2 4.13Å; Y516-L520 PolarHBondContact O-N 2.95Å
517	T	97.9	Very high	95.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.5	-43.7	-176.4	56.2	0	0	0	0	111.8	Y207 L222 I513 R514 T519 L520 Y521 M579	Y207-T517 HydrophobicContact CE1-CG2 3.77Å; Y207-T517 PolarHBondContact OH-OG1 3Å; L222-T517 HydrophobicContact CD1-CG2 4.22Å; I513-T517 HydrophobicContact CG1-CG2 4.46Å; I513-T517 PolarHBondContact O-N 3.47Å; I513-T517 VanDerWaalsContact O-N 3.1Å; I513-T517 PolarHBondContact O-OG1 2.95Å; R514-T517 PolarHBondContact O-N 3.27Å; R514-T517 PolarHBondContact O-OG1 3.15Å; T517-T519 PolarHBondContact O-N 2.64Å; T517-L520 PolarHBondContact O-N 3.36Å; T517-L520 VanDerWaalsContact O-N 3.13Å; T517-Y521 WeakPolarHBondContact O-CD2 3.42Å; T517-Y521 VanDerWaalsContact O-CG 3.24Å; T517-Y521 PolarHBondContact O-N 3.22Å; T517-M579 HydrophobicContact CG2-CE 3.91Å; T517-M579 HydrophobicContact CG2-SD 4.41Å
518	R	95.8	Very high	95.7	Very high	31 Å²	31	18 Å²	18	12%	0.117	8%	0.08	C	C	.	.	H	α-helix	trans	-39.3	-53.3	162.9	164.6	-157.8	-141.3	-108.4	9.5	112.6	H374 G399 E402 E406 R514 L520 Y521 Q522	H374-R518 PolarHBondContact CE1-NH2 3Å; G399-R518 WeakPolarHBondContact O-CA 3.22Å; E402-R518 HydrophobicContact CB-CB 3.87Å; E402-R518 HydrophobicContact CB-CG 3.69Å; E402-R518 IonicContact OE2-CZ 3.26Å; E402-R518 VanDerWaalsContact OE2-CZ 3.23Å; E402-R518 IonicContact OE2-NE 2.69Å; E402-R518 PolarHBondContact OE2-NE 2.82Å; E402-R518 IonicContact OE2-NH2 2.89Å; E402-R518 PolarHBondContact OE2-NH2 2.93Å; E406-R518 VanDerWaalsContact CG-CZ 3.44Å; E406-R518 IonicContact OE1-CZ 3.5Å; E406-R518 IonicContact OE1-NH1 2.89Å; E406-R518 PolarHBondContact OE1-NH1 2.73Å; E406-R518 IonicContact OE1-NH2 3.24Å; E406-R518 PolarHBondContact OE1-NH2 3.13Å; R514-R518 WeakPolarHBondContact O-CB 3.32Å; R514-R518 PolarHBondContact O-N 2.84Å; R518-L520 VanDerWaalsContact C-N 3.26Å; R518-L520 PolarHBondContact O-N 3Å; R518-Y521 PolarHBondContact O-N 3.5Å; R518-Q522 WeakPolarHBondContact O-CB 3.2Å; R518-Q522 PolarHBondContact O-N 2.85Å
519	T	97.3	Very high	96.2	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.025	7%	0.072	C	C	.	.	H	α-helix	trans	-70.9	-23.4	-170.3	-60.6	0	0	0	0	112	I446 L450 Y515 Y516 T517 F523 L584	I446-T519 HydrophobicContact CG2-CG2 3.67Å; L450-T519 HydrophobicContact CD1-CG2 3.82Å; L450-T519 HydrophobicContact CD2-CG2 3.83Å; L450-T519 HydrophobicContact CG-CG2 3.98Å; Y515-T519 WeakPolarHBondContact O-CB 3.17Å; Y515-T519 PolarHBondContact O-OG1 3.15Å; Y516-T519 WeakPolarHBondContact O-CB 3.47Å; Y516-T519 PolarHBondContact O-N 3.1Å; T517-T519 PolarHBondContact O-N 2.64Å; T519-F523 WeakPolarHBondContact O-CD2 3.43Å; T519-L584 HydrophobicContact CG2-CD1 3.88Å
520	L	98.1	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-79.5	-50.2	167.1	-83.9	58.8	0	0	0	110.7	T229 I233 L450 Y516 T517 R518 Q522 F523 Q524 M579 V581	T229-L520 HydrophobicContact CG2-CD2 3.79Å; I233-L520 HydrophobicContact CD1-CD1 4.38Å; L450-L520 HydrophobicContact CD2-CD1 4.41Å; Y516-L520 HydrophobicContact CD1-CD1 4.38Å; Y516-L520 HydrophobicContact CE1-CD1 3.99Å; Y516-L520 HydrophobicContact CE1-CD2 4.13Å; Y516-L520 PolarHBondContact O-N 2.95Å; T517-L520 PolarHBondContact O-N 3.36Å; T517-L520 VanDerWaalsContact O-N 3.13Å; R518-L520 VanDerWaalsContact C-N 3.26Å; R518-L520 PolarHBondContact O-N 3Å; L520-Q522 VanDerWaalsContact C-N 3.32Å; L520-Q522 PolarHBondContact O-N 2.94Å; L520-F523 PolarHBondContact O-N 3.28Å; L520-Q524 PolarHBondContact O-N 3.41Å; L520-M579 HydrophobicContact CD2-CB 4.02Å; L520-M579 HydrophobicContact CD2-CG 4.01Å; L520-M579 HydrophobicContact CD2-SD 4.01Å; L520-V581 HydrophobicContact CD1-CG2 4.13Å; L520-V581 HydrophobicContact CD2-CB 4.24Å; L520-V581 HydrophobicContact CG-CB 4.06Å; L520-V581 HydrophobicContact CG-CG2 4.05Å
521	Y	98.2	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.3	-39.1	-177.7	-61.8	-37.3	0	0	0	112.9	N397 F400 T517 R518 F523 Q524 F525 W566 L570 M579	N397-Y521 PolarHBondContact ND2-OH 3Å; N397-Y521 VanDerWaalsContact ND2-OH 3.08Å; F400-Y521 AromaticContact CD2-CD2 3.89Å; F400-Y521 HydrophobicContact CD2-CD2 3.89Å; F400-Y521 AromaticContact CD2-CE2 3.74Å; F400-Y521 HydrophobicContact CD2-CE2 3.74Å; F400-Y521 HydrophobicContact CE2-CD2 4.17Å; F400-Y521 HydrophobicContact CE2-CE1 4.27Å; F400-Y521 AromaticContact CE2-CE2 3.89Å; F400-Y521 HydrophobicContact CE2-CE2 3.89Å; F400-Y521 HydrophobicContact CE2-CG 4.49Å; F400-Y521 AromaticContact CE2-CZ 3.93Å; T517-Y521 WeakPolarHBondContact O-CD2 3.42Å; T517-Y521 VanDerWaalsContact O-CG 3.24Å; T517-Y521 PolarHBondContact O-N 3.22Å; R518-Y521 PolarHBondContact O-N 3.5Å; Y521-F523 VanDerWaalsContact C-N 3.32Å; Y521-F523 PolarHBondContact O-N 2.89Å; Y521-Q524 PolarHBondContact O-N 3.25Å; Y521-F525 WeakPolarHBondContact O-CB 3.27Å; Y521-F525 VanDerWaalsContact O-CD2 3.32Å; Y521-F525 WeakPolarHBondContact O-CD2 3.31Å; Y521-F525 VanDerWaalsContact O-CG 3.26Å; Y521-F525 WeakPolarHBondContact O-CG 3.28Å; Y521-F525 PolarHBondContact O-N 2.86Å; Y521-W566 HydrophobicContact CE1-CE3 4.43Å; Y521-W566 HydrophobicContact CE1-CZ3 4.04Å; Y521-W566 VanDerWaalsContact OH-CZ3 3.23Å; Y521-W566 WeakPolarHBondContact OH-CZ3 3.39Å; Y521-L570 HydrophobicContact CD1-CD1 4.16Å; Y521-L570 HydrophobicContact CD1-CD2 4.18Å; Y521-L570 HydrophobicContact CE1-CD2 3.88Å; Y521-M579 HydrophobicContact CD1-CB 4.46Å; Y521-M579 HydrophobicContact CE1-CB 3.88Å
522	Q	96.3	Very high	97.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-39.3	-179.2	72.5	-175.6	77.9	0	0	112.2	A403 E406 I407 R518 L520 Q526	A403-Q522 HydrophobicContact CB-CB 4.33Å; E406-Q522 HydrophobicContact CB-CB 3.98Å; E406-Q522 HydrophobicContact CB-CG 4.42Å; I407-Q522 HydrophobicContact CG2-CB 4.13Å; I407-Q522 WeakPolarHBondContact CG2-O 3.09Å; R518-Q522 WeakPolarHBondContact O-CB 3.2Å; R518-Q522 PolarHBondContact O-N 2.85Å; L520-Q522 VanDerWaalsContact C-N 3.32Å; L520-Q522 PolarHBondContact O-N 2.94Å; Q522-Q526 VanDerWaalsContact O-CB 3.26Å; Q522-Q526 WeakPolarHBondContact O-CB 3.33Å; Q522-Q526 PolarHBondContact O-N 2.89Å
523	F	97.6	Very high	97.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-79.8	-31.9	176.8	-64.3	-74.5	0	0	0	112.6	L410 I446 T519 L520 Y521 F525 Q526 E527 P583 L584 Y587 F588	L410-F523 HydrophobicContact CD1-CD1 4.27Å; L410-F523 HydrophobicContact CD1-CE1 3.88Å; L410-F523 HydrophobicContact CD1-CZ 4.39Å; L410-F523 HydrophobicContact CD2-CE1 4.35Å; I446-F523 HydrophobicContact CD1-CZ 3.92Å; I446-F523 HydrophobicContact CG2-CE2 3.7Å; I446-F523 HydrophobicContact CG2-CZ 3.92Å; T519-F523 WeakPolarHBondContact O-CD2 3.43Å; L520-F523 PolarHBondContact O-N 3.28Å; Y521-F523 VanDerWaalsContact C-N 3.32Å; Y521-F523 PolarHBondContact O-N 2.89Å; F523-F525 VanDerWaalsContact C-N 3.33Å; F523-Q526 PolarHBondContact O-N 3.41Å; F523-E527 VanDerWaalsContact O-CB 3.3Å; F523-E527 WeakPolarHBondContact O-CB 3.41Å; F523-E527 PolarHBondContact O-N 3.45Å; F523-P583 HydrophobicContact CB-CB 3.8Å; F523-P583 WeakPolarHBondContact O-CB 3.33Å; F523-L584 HydrophobicContact CB-CB 4.18Å; F523-L584 HydrophobicContact CD2-CB 3.51Å; F523-L584 HydrophobicContact CD2-CD1 3.81Å; F523-L584 HydrophobicContact CD2-CG 3.72Å; F523-L584 HydrophobicContact CE2-CB 4.11Å; F523-L584 HydrophobicContact CE2-CD1 3.79Å; F523-L584 HydrophobicContact CE2-CG 3.77Å; F523-L584 HydrophobicContact CG-CB 3.96Å; F523-Y587 AromaticContact CD1-CD2 3.74Å; F523-Y587 HydrophobicContact CD1-CD2 3.74Å; F523-Y587 HydrophobicContact CD1-CE2 4.42Å; F523-Y587 AromaticContact CD1-CG 3.89Å; F523-Y587 HydrophobicContact CD1-CG 3.89Å; F523-Y587 AromaticContact CE1-CD1 3.86Å; F523-Y587 HydrophobicContact CE1-CD1 3.86Å; F523-Y587 AromaticContact CE1-CD2 3.45Å; F523-Y587 HydrophobicContact CE1-CD2 3.45Å; F523-Y587 VanDerWaalsContact CE1-CD2 3.45Å; F523-Y587 HydrophobicContact CE1-CE1 4.22Å; F523-Y587 AromaticContact CE1-CE2 3.81Å; F523-Y587 HydrophobicContact CE1-CE2 3.81Å; F523-Y587 AromaticContact CE1-CG 3.47Å; F523-Y587 HydrophobicContact CE1-CG 3.47Å; F523-Y587 VanDerWaalsContact CE1-CG 3.47Å; F523-Y587 HydrophobicContact CZ-CD1 4.43Å; F523-Y587 HydrophobicContact CZ-CG 4.4Å; F523-F588 HydrophobicContact CE2-CE2 4.43Å; F523-F588 AromaticContact CZ-CE2 3.91Å; F523-F588 HydrophobicContact CZ-CE2 3.91Å; F523-F588 HydrophobicContact CZ-CZ 4.46Å
524	Q	98.2	Very high	97.1	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-43.1	171.1	-64.4	-179.3	-107	0	0	111.1	L520 Y521 A528 V574 N578 N580 P583	L520-Q524 PolarHBondContact O-N 3.41Å; Y521-Q524 PolarHBondContact O-N 3.25Å; Q524-A528 WeakPolarHBondContact O-CB 3.43Å; Q524-A528 PolarHBondContact O-N 3.26Å; Q524-V574 HydrophobicContact CB-CB 4.37Å; Q524-V574 HydrophobicContact CB-CG1 3.91Å; Q524-V574 WeakPolarHBondContact O-CG1 3.38Å; Q524-N578 PolarHBondContact NE2-O 3.25Å; Q524-N580 VanDerWaalsContact CD-N 3.32Å; Q524-N580 HydrophobicContact CG-CB 4.45Å; Q524-N580 VanDerWaalsContact CG-O 3.27Å; Q524-N580 WeakPolarHBondContact CG-O 3.36Å; Q524-N580 PolarHBondContact OE1-O 2.72Å; Q524-P583 HydrophobicContact CG-CG 4.07Å
525	F	98	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-49.4	173.5	-65.1	-31.8	0	0	0	111.5	F400 A403 I407 Y521 F523 E527 A528 L529 M557 L570 V573 V574	F400-F525 AromaticContact CD1-CZ 3.98Å; F400-F525 HydrophobicContact CD1-CZ 3.98Å; F400-F525 AromaticContact CE1-CZ 3.82Å; F400-F525 HydrophobicContact CE1-CZ 3.82Å; F400-F525 HydrophobicContact CE2-CZ 4.5Å; F400-F525 HydrophobicContact CG-CZ 4.41Å; F400-F525 HydrophobicContact CZ-CZ 4.1Å; A403-F525 HydrophobicContact CB-CD2 4.04Å; A403-F525 HydrophobicContact CB-CE2 3.85Å; I407-F525 HydrophobicContact CD1-CB 4.44Å; I407-F525 HydrophobicContact CG2-CB 3.98Å; Y521-F525 WeakPolarHBondContact O-CB 3.27Å; Y521-F525 VanDerWaalsContact O-CD2 3.32Å; Y521-F525 WeakPolarHBondContact O-CD2 3.31Å; Y521-F525 VanDerWaalsContact O-CG 3.26Å; Y521-F525 WeakPolarHBondContact O-CG 3.28Å; Y521-F525 PolarHBondContact O-N 2.86Å; F523-F525 VanDerWaalsContact C-N 3.33Å; F525-E527 PolarHBondContact O-N 2.82Å; F525-A528 PolarHBondContact O-N 3.18Å; F525-L529 HydrophobicContact CB-CD1 4.49Å; F525-L529 WeakPolarHBondContact O-CB 3.38Å; F525-L529 WeakPolarHBondContact O-CG 3.34Å; F525-L529 PolarHBondContact O-N 2.9Å; F525-M557 HydrophobicContact CE1-CE 4.26Å; F525-M557 HydrophobicContact CE2-CE 4.27Å; F525-M557 HydrophobicContact CZ-CE 3.88Å; F525-L570 HydrophobicContact CD1-CD1 4.36Å; F525-L570 HydrophobicContact CE1-CD1 3.64Å; F525-L570 HydrophobicContact CZ-CD1 4.17Å; F525-V573 HydrophobicContact CD1-CB 3.99Å; F525-V573 HydrophobicContact CD1-CG1 3.71Å; F525-V573 HydrophobicContact CD1-CG2 4.42Å; F525-V573 HydrophobicContact CE1-CB 4.1Å; F525-V573 HydrophobicContact CE1-CG1 4.31Å; F525-V573 HydrophobicContact CE1-CG2 4.24Å; F525-V574 HydrophobicContact CD1-CG1 3.7Å; F525-V574 HydrophobicContact CE1-CG1 4.19Å
526	Q	96.9	Very high	97.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-48.1	-180	-168.1	68.7	-2.2	0	0	111.1	I407 S411 Q522 F523 A528 L529 C530 L539	I407-Q526 HydrophobicContact CG2-CB 4.25Å; S411-Q526 PolarHBondContact OG-NE2 3.23Å; Q522-Q526 VanDerWaalsContact O-CB 3.26Å; Q522-Q526 WeakPolarHBondContact O-CB 3.33Å; Q522-Q526 PolarHBondContact O-N 2.89Å; F523-Q526 PolarHBondContact O-N 3.41Å; Q526-A528 VanDerWaalsContact C-N 3.35Å; Q526-A528 PolarHBondContact O-N 3.49Å; Q526-L529 PolarHBondContact O-N 3.48Å; Q526-C530 VanDerWaalsContact O-CB 3.23Å; Q526-C530 WeakPolarHBondContact O-CB 3.41Å; Q526-C530 PolarHBondContact O-N 2.93Å; Q526-C530 PolarHBondContact O-SG 2.99Å; Q526-L539 HydrophobicContact CG-CD1 4.34Å
527	E	97.6	Very high	97	Very high	51 Å²	51	34.3 Å²	34.3	24%	0.238	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-43.9	178.9	-166.1	178.8	-99	0	0	112	F523 F525 Q531 L539 P583 N586	F523-E527 VanDerWaalsContact O-CB 3.3Å; F523-E527 WeakPolarHBondContact O-CB 3.41Å; F523-E527 PolarHBondContact O-N 3.45Å; F525-E527 PolarHBondContact O-N 2.82Å; E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.44Å; E527-Q531 PolarHBondContact O-N 2.65Å; E527-L539 HydrophobicContact CB-CD1 4.34Å; E527-L539 HydrophobicContact CB-CD2 3.98Å; E527-L539 HydrophobicContact CG-CD2 4.21Å; E527-P583 HydrophobicContact CB-CB 4.05Å; E527-N586 PolarHBondContact OE1-ND2 2.96Å
528	A	97.8	Very high	96.9	Very high	10 Å²	10	37.1 Å²	37.1	8%	0.083	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-36.8	177.2	0	0	0	0	0	113.8	Q524 F525 Q526 A532 V573 V574	Q524-A528 WeakPolarHBondContact O-CB 3.43Å; Q524-A528 PolarHBondContact O-N 3.26Å; F525-A528 PolarHBondContact O-N 3.18Å; Q526-A528 VanDerWaalsContact C-N 3.35Å; Q526-A528 PolarHBondContact O-N 3.49Å; A528-A532 PolarHBondContact O-N 3.29Å; A528-A532 VanDerWaalsContact O-N 3.1Å; A528-V573 HydrophobicContact CB-CG1 4.29Å; A528-V573 WeakPolarHBondContact CB-O 3.45Å; A528-V574 HydrophobicContact CB-CB 4.34Å; A528-V574 HydrophobicContact CB-CG1 4.2Å
529	L	97.9	Very high	96.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-74.6	-35	177.9	-67.3	171.3	0	0	0	111.8	I407 F525 Q526 A532 A533 I544 A550 L554	I407-L529 HydrophobicContact CD1-CD1 3.65Å; F525-L529 HydrophobicContact CB-CD1 4.49Å; F525-L529 WeakPolarHBondContact O-CB 3.38Å; F525-L529 WeakPolarHBondContact O-CG 3.34Å; F525-L529 PolarHBondContact O-N 2.9Å; Q526-L529 PolarHBondContact O-N 3.48Å; L529-A532 PolarHBondContact O-N 3.03Å; L529-A533 WeakPolarHBondContact O-CB 3.47Å; L529-A533 PolarHBondContact O-N 3.25Å; L529-I544 HydrophobicContact CB-CG2 4.17Å; L529-A550 HydrophobicContact CB-CB 4.29Å; L529-A550 HydrophobicContact CD2-CB 4.06Å; L529-A550 WeakPolarHBondContact CD2-O 3.41Å; L529-L554 HydrophobicContact CD1-CD1 4.48Å; L529-L554 HydrophobicContact CD2-CB 4.04Å
530	C	97.6	Very high	96.7	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-37	173.1	-66	0	0	0	0	112.3	Q526 A533 K534 H535 L539 C542	Q526-C530 VanDerWaalsContact O-CB 3.23Å; Q526-C530 WeakPolarHBondContact O-CB 3.41Å; Q526-C530 PolarHBondContact O-N 2.93Å; Q526-C530 PolarHBondContact O-SG 2.99Å; C530-A533 CarbonylContact O-C 3.52Å; C530-A533 PolarHBondContact O-N 2.87Å; C530-K534 PolarHBondContact O-N 3.24Å; C530-K534 VanDerWaalsContact O-N 3.07Å; C530-H535 HydrophobicContact CB-CB 4.2Å; C530-H535 WeakPolarHBondContact O-CB 3.38Å; C530-H535 PolarHBondContact O-N 3.49Å; C530-L539 HydrophobicContact CB-CD1 3.91Å; C530-C542 VanDerWaalsContact CA-SG 3.56Å; C530-C542 HydrophobicContact CB-CB 3.89Å; C530-C542 WeakPolarHBondContact CB-SG 3.26Å; C530-C542 WeakPolarHBondContact SG-CB 3.26Å; C530-C542 CovalentContact SG-SG 2.01Å; C530-C542 PolarHBondContact SG-SG 2.82Å
531	Q	97.1	Very high	96.5	Very high	131 Å²	131	39 Å²	39	61%	0.612	21%	0.212	S	C	*	.	H	α-helix	trans	-63.5	-43.9	169.7	-71.9	171	28.5	0	0	111.6	E527 A533 K534	E527-Q531 VanDerWaalsContact O-CG 3.26Å; E527-Q531 WeakPolarHBondContact O-CG 3.44Å; E527-Q531 PolarHBondContact O-N 2.65Å; Q531-A533 VanDerWaalsContact C-N 3.32Å; Q531-A533 PolarHBondContact O-N 3.28Å; Q531-K534 PolarHBondContact O-N 3.07Å
532	A	97.3	Very high	96.4	Very high	20 Å²	20	39 Å²	39	17%	0.165	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-35.5	174.5	0	0	0	0	0	112.7	A528 L529 K534 A550 K553	A528-A532 PolarHBondContact O-N 3.29Å; A528-A532 VanDerWaalsContact O-N 3.1Å; L529-A532 PolarHBondContact O-N 3.03Å; A532-K534 PolarHBondContact O-N 3.35Å; A532-A550 HydrophobicContact CB-CB 4.16Å; A532-K553 HydrophobicContact CB-CD 4.31Å
533	A	97.1	Very high	96.4	Very high	29 Å²	29	39.6 Å²	39.6	24%	0.24	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.3	172.3	0	0	0	0	0	114.3	L529 C530 Q531 H535 S547 A550	L529-A533 WeakPolarHBondContact O-CB 3.47Å; L529-A533 PolarHBondContact O-N 3.25Å; C530-A533 CarbonylContact O-C 3.52Å; C530-A533 PolarHBondContact O-N 2.87Å; Q531-A533 VanDerWaalsContact C-N 3.32Å; Q531-A533 PolarHBondContact O-N 3.28Å; A533-H535 PolarHBondContact O-N 3.49Å; A533-S547 WeakPolarHBondContact CA-OG 3.39Å; A533-A550 HydrophobicContact CB-CB 4.42Å
534	K	96.9	Very high	96.3	Very high	135 Å²	135	39.8 Å²	39.8	59%	0.587	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	39.2	179.8	-58.6	151.6	-162.8	165.2	0	112.1	C530 Q531 A532 E549	C530-K534 PolarHBondContact O-N 3.24Å; C530-K534 VanDerWaalsContact O-N 3.07Å; Q531-K534 PolarHBondContact O-N 3.07Å; A532-K534 PolarHBondContact O-N 3.35Å; K534-E549 VanDerWaalsContact CE-OE2 3.23Å; K534-E549 WeakPolarHBondContact CE-OE2 3.36Å; K534-E549 IonicContact NZ-OE1 3.46Å; K534-E549 PolarHBondContact NZ-OE1 2.76Å; K534-E549 IonicContact NZ-OE2 2.87Å; K534-E549 PolarHBondContact NZ-OE2 2.89Å
535	H	96.3	Very high	96.2	Very high	51 Å²	51	40.2 Å²	40.2	24%	0.236	22%	0.221	C	C	.	.			trans	-66.9	137.6	177	177.2	70	0	0	0	111.3	C530 A533 P538 K541 C542	C530-H535 HydrophobicContact CB-CB 4.2Å; C530-H535 WeakPolarHBondContact O-CB 3.38Å; C530-H535 PolarHBondContact O-N 3.49Å; A533-H535 PolarHBondContact O-N 3.49Å; H535-P538 PolarHBondContact NE2-O 2.87Å; H535-K541 VanDerWaalsContact CE1-C 3.49Å; H535-K541 PolarHBondContact CE1-O 3.44Å; H535-C542 HydrophobicContact CB-CB 4.46Å
536	E	94.3	Very high	96.1	Very high	179 Å²	179	46.4 Å²	46.4	84%	0.836	25%	0.254	S	S	*	.			trans	-112.5	141.4	175.9	-66	-172.8	171.4	0	0	110.7
537	G	93.9	Very high	96.1	Very high	63 Å²	63	47.2 Å²	47.2	65%	0.649	26%	0.26	S	S	*	.	S	Bend	trans	92.5	-161.2	-179.1	0	0	0	0	0	114
538	P	95.3	Very high	96.1	Very high	58 Å²	58	48.9 Å²	48.9	38%	0.377	27%	0.274	S	S	.	.			trans	-63.2	142.4	-173.5	-22.9	33.8	0	0	0	113.4	H535 H540 K541	H535-P538 PolarHBondContact NE2-O 2.87Å; P538-H540 VanDerWaalsContact C-N 3.26Å; P538-H540 VanDerWaalsContact CB-CE1 3.47Å; P538-H540 WeakPolarHBondContact CB-CE1 3.39Å; P538-H540 PolarHBondContact O-N 2.95Å; P538-K541 HydrophobicContact CB-CG 4.46Å; P538-K541 PolarHBondContact O-N 2.69Å
539	L	95.5	Very high	96.1	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.12	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-60.2	-34.4	-178.4	-177.7	59.7	0	0	0	112.8	Q526 E527 C530 K541 C542 Y587	Q526-L539 HydrophobicContact CG-CD1 4.34Å; E527-L539 HydrophobicContact CB-CD1 4.34Å; E527-L539 HydrophobicContact CB-CD2 3.98Å; E527-L539 HydrophobicContact CG-CD2 4.21Å; C530-L539 HydrophobicContact CB-CD1 3.91Å; L539-K541 PolarHBondContact O-N 2.63Å; L539-C542 HydrophobicContact CD1-CB 4.46Å; L539-C542 WeakPolarHBondContact O-CB 3.39Å; L539-C542 PolarHBondContact O-N 3.36Å; L539-Y587 HydrophobicContact CD2-CD2 4.39Å; L539-Y587 HydrophobicContact CG-CD2 4.13Å
540	H	93.9	Very high	96	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.028	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-69.1	-9.3	178.3	71.2	-107.2	0	0	0	114.6	E435 F438 L439 P538 Y587	E435-H540 IonicContact OE2-NE2 3.28Å; F438-H540 HydrophobicContact CE1-CB 4.46Å; L439-H540 HydrophobicContact CD2-CB 3.79Å; P538-H540 VanDerWaalsContact C-N 3.26Å; P538-H540 VanDerWaalsContact CB-CE1 3.47Å; P538-H540 WeakPolarHBondContact CB-CE1 3.39Å; P538-H540 PolarHBondContact O-N 2.95Å; H540-Y587 VanDerWaalsContact CA-CE2 3.43Å; H540-Y587 HydrophobicContact CB-CD1 4.14Å; H540-Y587 HydrophobicContact CB-CD2 3.94Å; H540-Y587 HydrophobicContact CB-CE1 3.8Å; H540-Y587 HydrophobicContact CB-CE2 3.61Å; H540-Y587 HydrophobicContact CB-CG 4.2Å
541	K	93.7	Very high	96	Very high	45 Å²	45	53.5 Å²	53.5	20%	0.196	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-98.9	3	172.6	-57.6	-159.5	176.1	-152.8	0	113.2	E430 E435 H535 P538 L539	E430-K541 WeakPolarHBondContact OE2-CD 3.36Å; E430-K541 WeakPolarHBondContact OE2-CE 3.3Å; E430-K541 IonicContact OE2-NZ 3.76Å; E430-K541 PolarHBondContact OE2-NZ 3.13Å; E435-K541 VanDerWaalsContact OE1-CE 3.28Å; E435-K541 WeakPolarHBondContact OE1-CE 3.16Å; E435-K541 IonicContact OE1-NZ 3.97Å; E435-K541 PolarHBondContact OE1-NZ 2.82Å; E435-K541 WeakPolarHBondContact OE2-CE 3.31Å; E435-K541 IonicContact OE2-NZ 3.55Å; H535-K541 VanDerWaalsContact CE1-C 3.49Å; H535-K541 PolarHBondContact CE1-O 3.44Å; P538-K541 HydrophobicContact CB-CG 4.46Å; P538-K541 PolarHBondContact O-N 2.69Å; L539-K541 PolarHBondContact O-N 2.63Å
542	C	95.6	Very high	96	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	29%	0.286	C	S	.	.			trans	-73.7	129	179.4	176.8	0	0	0	0	111.3	T414 C530 H535 L539	T414-C542 WeakPolarHBondContact CG2-O 3.42Å; C530-C542 VanDerWaalsContact CA-SG 3.56Å; C530-C542 HydrophobicContact CB-CB 3.89Å; C530-C542 WeakPolarHBondContact CB-SG 3.26Å; C530-C542 WeakPolarHBondContact SG-CB 3.26Å; C530-C542 CovalentContact SG-SG 2.01Å; C530-C542 PolarHBondContact SG-SG 2.82Å; H535-C542 HydrophobicContact CB-CB 4.46Å; L539-C542 HydrophobicContact CD1-CB 4.46Å; L539-C542 WeakPolarHBondContact O-CB 3.39Å; L539-C542 PolarHBondContact O-N 3.36Å
543	D	95.4	Very high	95.9	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.07	29%	0.292	C	S	.	.			trans	-127	119.9	168.5	166.5	24.6	0	0	0	106.5	K416 H417 S545	K416-D543 HydrophobicContact CD-CB 3.98Å; K416-D543 HydrophobicContact CG-CB 4.47Å; K416-D543 PolarHBondContact NZ-O 2.9Å; H417-D543 IonicContact ND1-OD1 3.37Å; H417-D543 IonicContact ND1-OD2 3.28Å; D543-S545 VanDerWaalsContact C-N 3.29Å; D543-S545 VanDerWaalsContact CG-OG 3.3Å; D543-S545 WeakPolarHBondContact OD1-CB 3.33Å; D543-S545 PolarHBondContact OD1-N 3.07Å; D543-S545 PolarHBondContact OD1-OG 3.36Å; D543-S545 PolarHBondContact OD2-OG 3.36Å
544	I	96.7	Very high	95.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	28%	0.282	C	S	.	.			trans	-81.4	-5.8	-177.7	65.6	175.9	0	0	0	113.1	F314 V318 L529 N546 S547	F314-I544 HydrophobicContact CE2-CG1 4.36Å; F314-I544 HydrophobicContact CZ-CD1 4.23Å; F314-I544 HydrophobicContact CZ-CG1 3.91Å; V318-I544 HydrophobicContact CG1-CG1 4.3Å; V318-I544 VanDerWaalsContact CG1-O 3.25Å; V318-I544 WeakPolarHBondContact CG1-O 3.48Å; L529-I544 HydrophobicContact CB-CG2 4.17Å; I544-N546 PolarHBondContact O-N 3.45Å; I544-S547 VanDerWaalsContact O-CB 3.23Å; I544-S547 WeakPolarHBondContact O-CB 3.39Å; I544-S547 PolarHBondContact O-N 2.94Å
545	S	95	Very high	95.9	Very high	18 Å²	18	47.4 Å²	47.4	13%	0.126	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	136.8	179.8	-60	0	0	0	0	112.2	F314 H417 D543 S547	F314-S545 VanDerWaalsContact CD2-OG 3.27Å; F314-S545 WeakPolarHBondContact CD2-OG 3.18Å; F314-S545 VanDerWaalsContact CE2-OG 3.32Å; F314-S545 WeakPolarHBondContact CE2-OG 3.39Å; H417-S545 PolarHBondContact ND1-OG 3.14Å; H417-S545 VanDerWaalsContact ND1-OG 3.1Å; D543-S545 VanDerWaalsContact C-N 3.29Å; D543-S545 VanDerWaalsContact CG-OG 3.3Å; D543-S545 WeakPolarHBondContact OD1-CB 3.33Å; D543-S545 PolarHBondContact OD1-N 3.07Å; D543-S545 PolarHBondContact OD1-OG 3.36Å; D543-S545 PolarHBondContact OD2-OG 3.36Å; S545-S547 PolarHBondContact O-N 3.02Å
546	N	96.1	Very high	95.9	Very high	130 Å²	130	49.2 Å²	49.2	70%	0.695	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	3.2	-176.5	-43.4	-86	0	0	0	115.6	S317 I544 T548	S317-N546 CarbonylContact O-C 3.52Å; S317-N546 VanDerWaalsContact O-CA 3.24Å; S317-N546 WeakPolarHBondContact O-CA 3.17Å; S317-N546 PolarHBondContact OG-N 3.05Å; I544-N546 PolarHBondContact O-N 3.45Å; N546-T548 PolarHBondContact O-N 2.92Å
547	S	97.6	Very high	96	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.133	23%	0.23	C	C	.	.			trans	-90.6	94.2	173.8	-172.4	0	0	0	0	112.3	A533 I544 S545 E549 A550 G551	A533-S547 WeakPolarHBondContact CA-OG 3.39Å; I544-S547 VanDerWaalsContact O-CB 3.23Å; I544-S547 WeakPolarHBondContact O-CB 3.39Å; I544-S547 PolarHBondContact O-N 2.94Å; S545-S547 PolarHBondContact O-N 3.02Å; S547-E549 VanDerWaalsContact C-N 3.26Å; S547-E549 PolarHBondContact O-N 3.22Å; S547-A550 PolarHBondContact O-N 2.83Å; S547-A550 WeakPolarHBondContact OG-CB 3.36Å; S547-A550 PolarHBondContact OG-N 3.43Å; S547-G551 PolarHBondContact O-N 3.49Å
548	T	96.9	Very high	96.2	Very high	86 Å²	86	37.7 Å²	37.7	53%	0.528	20%	0.199	S	C	.	.	H	α-helix	trans	-67.7	-25.2	171.5	54.8	0	0	0	0	112.9	N546 Q552	N546-T548 PolarHBondContact O-N 2.92Å; T548-Q552 WeakPolarHBondContact O-CB 3.39Å; T548-Q552 PolarHBondContact O-N 3.28Å
549	E	97.4	Very high	96.3	Very high	108 Å²	108	39.8 Å²	39.8	51%	0.505	20%	0.202	S	C	.	.	H	α-helix	trans	-65.3	-41.5	172.5	-68.4	-178.6	-136.4	0	0	111.4	K534 S547 K553	K534-E549 VanDerWaalsContact CE-OE2 3.23Å; K534-E549 WeakPolarHBondContact CE-OE2 3.36Å; K534-E549 IonicContact NZ-OE1 3.46Å; K534-E549 PolarHBondContact NZ-OE1 2.76Å; K534-E549 IonicContact NZ-OE2 2.87Å; K534-E549 PolarHBondContact NZ-OE2 2.89Å; S547-E549 VanDerWaalsContact C-N 3.26Å; S547-E549 PolarHBondContact O-N 3.22Å; E549-K553 WeakPolarHBondContact O-CB 3.48Å; E549-K553 PolarHBondContact O-N 2.83Å
550	A	97.1	Very high	96.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-69.8	-49.9	173.9	0	0	0	0	0	111.7	L529 A532 A533 S547 Q552 K553 L554	L529-A550 HydrophobicContact CB-CB 4.29Å; L529-A550 HydrophobicContact CD2-CB 4.06Å; L529-A550 WeakPolarHBondContact CD2-O 3.41Å; A532-A550 HydrophobicContact CB-CB 4.16Å; A533-A550 HydrophobicContact CB-CB 4.42Å; S547-A550 PolarHBondContact O-N 2.83Å; S547-A550 WeakPolarHBondContact OG-CB 3.36Å; S547-A550 PolarHBondContact OG-N 3.43Å; A550-Q552 PolarHBondContact O-N 3.24Å; A550-K553 WeakPolarHBondContact O-CB 3.38Å; A550-K553 PolarHBondContact O-N 3.46Å; A550-K553 VanDerWaalsContact O-N 3.08Å; A550-L554 PolarHBondContact O-N 3.2Å
551	G	96.6	Very high	96.5	Very high	3 Å²	3	40 Å²	40	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-36.3	-178.3	0	0	0	0	0	114	V318 S547 K553 L554 L555	V318-G551 WeakPolarHBondContact O-CA 3.44Å; S547-G551 PolarHBondContact O-N 3.49Å; G551-K553 VanDerWaalsContact C-N 3.34Å; G551-K553 PolarHBondContact O-N 2.85Å; G551-L554 PolarHBondContact O-N 3.18Å; G551-L555 VanDerWaalsContact O-CB 3.24Å; G551-L555 WeakPolarHBondContact O-CB 3.16Å; G551-L555 PolarHBondContact O-N 2.89Å
552	Q	96.9	Very high	96.6	Very high	98 Å²	98	40.7 Å²	40.7	46%	0.458	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-38.2	172.7	-177	62.5	75.9	0	0	112.1	T548 A550 L555 N556	T548-Q552 WeakPolarHBondContact O-CB 3.39Å; T548-Q552 PolarHBondContact O-N 3.28Å; A550-Q552 PolarHBondContact O-N 3.24Å; Q552-L555 PolarHBondContact O-N 2.89Å; Q552-N556 PolarHBondContact NE2-OD1 3.16Å; Q552-N556 PolarHBondContact O-N 3Å; Q552-N556 PolarHBondContact O-ND2 3.28Å; Q552-N556 PolarHBondContact O-OD1 2.96Å
553	K	96.9	Very high	96.6	Very high	67 Å²	67	41.4 Å²	41.4	29%	0.291	21%	0.212	S	C	.	.	H	α-helix	trans	-68	-37.5	177.3	-177.7	168.9	169.1	62.4	0	112	A532 E549 A550 G551 N572 V573	A532-K553 HydrophobicContact CB-CD 4.31Å; E549-K553 WeakPolarHBondContact O-CB 3.48Å; E549-K553 PolarHBondContact O-N 2.83Å; A550-K553 WeakPolarHBondContact O-CB 3.38Å; A550-K553 PolarHBondContact O-N 3.46Å; A550-K553 VanDerWaalsContact O-N 3.08Å; G551-K553 VanDerWaalsContact C-N 3.34Å; G551-K553 PolarHBondContact O-N 2.85Å; K553-N572 PolarHBondContact NZ-O 2.87Å; K553-V573 WeakPolarHBondContact CE-O 3.35Å; K553-V573 PolarHBondContact NZ-O 3.45Å
554	L	96	Very high	96.7	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-52.3	170.2	-179.2	63.9	0	0	0	111.3	I407 M408 L529 A550 G551 N556 M557 L558	I407-L554 HydrophobicContact CD1-CD1 4.03Å; I407-L554 HydrophobicContact CD1-CD2 3.98Å; M408-L554 HydrophobicContact CE-CD2 3.5Å; L529-L554 HydrophobicContact CD1-CD1 4.48Å; L529-L554 HydrophobicContact CD2-CB 4.04Å; A550-L554 PolarHBondContact O-N 3.2Å; G551-L554 PolarHBondContact O-N 3.18Å; L554-N556 PolarHBondContact O-N 3.33Å; L554-M557 HydrophobicContact CD1-CE 3.97Å; L554-M557 WeakPolarHBondContact O-CA 3.31Å; L554-M557 WeakPolarHBondContact O-CB 3.32Å; L554-M557 PolarHBondContact O-N 2.89Å; L554-L558 HydrophobicContact CD1-CD2 4.08Å; L554-L558 HydrophobicContact CD1-CG 4.29Å; L554-L558 HydrophobicContact CD2-CD1 4.28Å; L554-L558 HydrophobicContact CG-CD1 3.98Å; L554-L558 HydrophobicContact CG-CD2 4.3Å; L554-L558 HydrophobicContact CG-CG 4.03Å; L554-L558 PolarHBondContact O-N 3.01Å
555	L	96.3	Very high	96.7	Very high	19 Å²	19	45 Å²	45	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-31.1	-176.8	-176.8	58.9	0	0	0	113.4	L320 A384 G551 Q552 M557 L558 K559	L320-L555 HydrophobicContact CD2-CB 3.98Å; L320-L555 HydrophobicContact CD2-CD1 3.74Å; L320-L555 HydrophobicContact CD2-CD2 4.21Å; L320-L555 HydrophobicContact CD2-CG 4.18Å; A384-L555 HydrophobicContact CB-CD1 3.9Å; G551-L555 VanDerWaalsContact O-CB 3.24Å; G551-L555 WeakPolarHBondContact O-CB 3.16Å; G551-L555 PolarHBondContact O-N 2.89Å; Q552-L555 PolarHBondContact O-N 2.89Å; L555-M557 PolarHBondContact O-N 2.74Å; L555-L558 PolarHBondContact O-N 3.37Å; L555-K559 HydrophobicContact CD1-CD 4.2Å; L555-K559 HydrophobicContact CD1-CG 4.09Å; L555-K559 HydrophobicContact CG-CD 4.08Å; L555-K559 HydrophobicContact CG-CG 4.44Å; L555-K559 WeakPolarHBondContact O-CG 3.4Å; L555-K559 PolarHBondContact O-N 3.29Å; L555-K559 VanDerWaalsContact O-N 3.14Å
556	N	96.3	Very high	96.8	Very high	89 Å²	89	44.4 Å²	44.4	48%	0.476	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-30.5	173.4	-73	-6.8	0	0	0	112.9	Q552 L554	Q552-N556 PolarHBondContact NE2-OD1 3.16Å; Q552-N556 PolarHBondContact O-N 3Å; Q552-N556 PolarHBondContact O-ND2 3.28Å; Q552-N556 PolarHBondContact O-OD1 2.96Å; L554-N556 PolarHBondContact O-N 3.33Å
557	M	97.1	Very high	96.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-83.2	-45.1	173.4	-179.1	-80.8	-72.8	0	0	111.1	F400 V404 F525 L554 L555 K559 L560 A569 V573	F400-M557 HydrophobicContact CD1-CE 4.07Å; F400-M557 HydrophobicContact CD1-SD 3.63Å; F400-M557 HydrophobicContact CE1-CE 4.3Å; F400-M557 HydrophobicContact CE1-CG 4.21Å; F400-M557 HydrophobicContact CE1-SD 3.77Å; V404-M557 HydrophobicContact CG2-CE 4.04Å; F525-M557 HydrophobicContact CE1-CE 4.26Å; F525-M557 HydrophobicContact CE2-CE 4.27Å; F525-M557 HydrophobicContact CZ-CE 3.88Å; L554-M557 HydrophobicContact CD1-CE 3.97Å; L554-M557 WeakPolarHBondContact O-CA 3.31Å; L554-M557 WeakPolarHBondContact O-CB 3.32Å; L554-M557 PolarHBondContact O-N 2.89Å; L555-M557 PolarHBondContact O-N 2.74Å; M557-K559 VanDerWaalsContact C-N 3.26Å; M557-K559 PolarHBondContact O-N 3.28Å; M557-L560 WeakPolarHBondContact O-CB 3.03Å; M557-L560 WeakPolarHBondContact O-CG 3.09Å; M557-L560 PolarHBondContact O-N 3.15Å; M557-A569 HydrophobicContact CG-CB 4.09Å; M557-A569 WeakPolarHBondContact CG-O 3.39Å; M557-V573 HydrophobicContact CB-CG2 3.48Å; M557-V573 VanDerWaalsContact CB-CG2 3.48Å; M557-V573 HydrophobicContact CE-CG2 4.45Å; M557-V573 HydrophobicContact CG-CG2 3.79Å
558	L	97.2	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-39.2	-177.7	-57	-178.1	0	0	0	112.5	Y381 A384 V404 L554 L555 L560 G561	Y381-L558 HydrophobicContact CD1-CD2 3.9Å; Y381-L558 HydrophobicContact CD2-CB 3.83Å; Y381-L558 HydrophobicContact CD2-CD2 3.65Å; Y381-L558 HydrophobicContact CD2-CG 4.29Å; Y381-L558 HydrophobicContact CE1-CD2 4.1Å; Y381-L558 HydrophobicContact CE2-CB 4.13Å; Y381-L558 HydrophobicContact CE2-CD2 3.89Å; Y381-L558 WeakPolarHBondContact CE2-O 3.34Å; Y381-L558 HydrophobicContact CG-CD2 3.68Å; A384-L558 HydrophobicContact CB-CB 3.56Å; V404-L558 HydrophobicContact CB-CD2 4.41Å; V404-L558 HydrophobicContact CG1-CD2 3.86Å; V404-L558 HydrophobicContact CG2-CD2 3.65Å; L554-L558 HydrophobicContact CD1-CD2 4.08Å; L554-L558 HydrophobicContact CD1-CG 4.29Å; L554-L558 HydrophobicContact CD2-CD1 4.28Å; L554-L558 HydrophobicContact CG-CD1 3.98Å; L554-L558 HydrophobicContact CG-CD2 4.3Å; L554-L558 HydrophobicContact CG-CG 4.03Å; L554-L558 PolarHBondContact O-N 3.01Å; L555-L558 PolarHBondContact O-N 3.37Å; L558-L560 PolarHBondContact O-N 3.39Å; L558-G561 PolarHBondContact O-N 2.95Å
559	K	97.6	Very high	96.8	Very high	101 Å²	101	34.9 Å²	34.9	44%	0.439	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.3	179.3	-76.6	172	173.2	169.5	0	115.2	A384 Q388 L555 M557 G561	A384-K559 HydrophobicContact CB-CG 4.2Å; Q388-K559 PolarHBondContact NE2-O 3.43Å; L555-K559 HydrophobicContact CD1-CD 4.2Å; L555-K559 HydrophobicContact CD1-CG 4.09Å; L555-K559 HydrophobicContact CG-CD 4.08Å; L555-K559 HydrophobicContact CG-CG 4.44Å; L555-K559 WeakPolarHBondContact O-CG 3.4Å; L555-K559 PolarHBondContact O-N 3.29Å; L555-K559 VanDerWaalsContact O-N 3.14Å; M557-K559 VanDerWaalsContact C-N 3.26Å; M557-K559 PolarHBondContact O-N 3.28Å; K559-G561 VanDerWaalsContact C-N 3.3Å
560	L	97.7	Very high	96.9	Very high	34 Å²	34	29.8 Å²	29.8	18%	0.178	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29	177.4	-55.3	177.9	0	0	0	111.3	Q388 M557 L558 K562 S563 E564 A569	Q388-L560 PolarHBondContact NE2-O 3.43Å; M557-L560 WeakPolarHBondContact O-CB 3.03Å; M557-L560 WeakPolarHBondContact O-CG 3.09Å; M557-L560 PolarHBondContact O-N 3.15Å; L558-L560 PolarHBondContact O-N 3.39Å; L560-K562 PolarHBondContact O-N 3.43Å; L560-K562 VanDerWaalsContact O-N 3.1Å; L560-S563 WeakPolarHBondContact O-CB 3.34Å; L560-S563 PolarHBondContact O-N 3.08Å; L560-S563 PolarHBondContact O-OG 3.48Å; L560-E564 HydrophobicContact CD1-CB 4.31Å; L560-E564 HydrophobicContact CD1-CG 4.4Å; L560-E564 HydrophobicContact CD2-CG 4.15Å; L560-A569 HydrophobicContact CD1-CB 4.17Å
561	G	96.7	Very high	96.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-118.6	-168	0	0	0	0	0	110.2	N394 A396 L558 K559	N394-G561 CarbonylContact O-C 3.52Å; N394-G561 WeakPolarHBondContact O-CA 3.48Å; A396-G561 WeakPolarHBondContact CA-O 3.47Å; A396-G561 PolarHBondContact N-O 3.39Å; L558-G561 PolarHBondContact O-N 2.95Å; K559-G561 VanDerWaalsContact C-N 3.3Å
562	K	96.4	Very high	96.8	Very high	58 Å²	58	36.1 Å²	36.1	25%	0.252	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	22.7	172.7	-149.1	167.8	-167.8	168.2	0	114.2	D206 L392 N394 A396 L560 E564	D206-K562 IonicContact OD1-NZ 3.64Å; D206-K562 PolarHBondContact OD1-NZ 3.37Å; D206-K562 IonicContact OD2-NZ 2.77Å; L392-K562 PolarHBondContact O-N 3.35Å; N394-K562 PolarHBondContact O-N 3.21Å; A396-K562 WeakPolarHBondContact O-CE 3.43Å; L560-K562 PolarHBondContact O-N 3.43Å; L560-K562 VanDerWaalsContact O-N 3.1Å; K562-E564 VanDerWaalsContact C-N 3.31Å
563	S	95.9	Very high	96.7	Very high	16 Å²	16	31.5 Å²	31.5	11%	0.112	16%	0.155	C	C	.	.	S	Bend	trans	-76.8	-15.2	179.5	80.8	0	0	0	0	114.5	Q388 L560	Q388-S563 PolarHBondContact NE2-OG 2.89Å; L560-S563 WeakPolarHBondContact O-CB 3.34Å; L560-S563 PolarHBondContact O-N 3.08Å; L560-S563 PolarHBondContact O-OG 3.48Å
564	E	95.9	Very high	96.7	Very high	78 Å²	78	29.9 Å²	29.9	36%	0.364	15%	0.151	S	C	.	.	S	Bend	trans	-131.9	155.9	-177.7	-69.4	-65.7	170.1	0	0	110.3	L560 K562 L568	L560-E564 HydrophobicContact CD1-CB 4.31Å; L560-E564 HydrophobicContact CD1-CG 4.4Å; L560-E564 HydrophobicContact CD2-CG 4.15Å; K562-E564 VanDerWaalsContact C-N 3.31Å; E564-L568 HydrophobicContact CB-CD2 4.47Å
565	P	96.6	Very high	96.7	Very high	15 Å²	15	32.7 Å²	32.7	10%	0.097	18%	0.18	C	C	.	.			trans	-54.8	138.6	174.4	-27.8	36.5	0	0	0	113.5	V209 V212 T567 L568 A569	V209-P565 HydrophobicContact CG1-CB 3.77Å; V209-P565 HydrophobicContact CG1-CG 3.9Å; V209-P565 HydrophobicContact CG2-CB 4.04Å; V212-P565 HydrophobicContact CB-CG 4.19Å; V212-P565 HydrophobicContact CG1-CG 4.12Å; V212-P565 HydrophobicContact CG2-CG 3.94Å; P565-T567 PolarHBondContact O-N 3.37Å; P565-L568 HydrophobicContact CB-CB 4.28Å; P565-L568 WeakPolarHBondContact O-CB 3.25Å; P565-L568 PolarHBondContact O-N 3.26Å; P565-A569 PolarHBondContact O-N 3.31Å
566	W	97.4	Very high	96.7	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-30	176.6	74	-99.9	0	0	0	112.8	Y207 Y217 A396 N397 F400 Y521 A569 L570	Y207-W566 PolarHBondContact O-NE1 2.98Å; Y217-W566 AromaticContact CD1-CZ2 3.8Å; Y217-W566 HydrophobicContact CD1-CZ2 3.8Å; Y217-W566 HydrophobicContact CD2-CH2 4.22Å; Y217-W566 AromaticContact CD2-CZ2 3.68Å; Y217-W566 HydrophobicContact CD2-CZ2 3.68Å; Y217-W566 AromaticContact CE1-CZ2 3.85Å; Y217-W566 HydrophobicContact CE1-CZ2 3.85Å; Y217-W566 HydrophobicContact CE2-CH2 4Å; Y217-W566 AromaticContact CE2-CZ2 3.74Å; Y217-W566 HydrophobicContact CE2-CZ2 3.74Å; Y217-W566 AromaticContact CG-CZ2 3.7Å; Y217-W566 HydrophobicContact CG-CZ2 3.7Å; Y217-W566 AromaticContact CZ-CZ2 3.81Å; A396-W566 HydrophobicContact CB-CB 3.81Å; N397-W566 HydrophobicContact CB-CB 4.3Å; N397-W566 HydrophobicContact CB-CG 4.34Å; N397-W566 VanDerWaalsContact ND2-CD2 3.29Å; F400-W566 HydrophobicContact CE2-CB 4.14Å; F400-W566 HydrophobicContact CE2-CE3 4.16Å; F400-W566 HydrophobicContact CZ-CB 4.3Å; F400-W566 WeakPolarHBondContact CZ-O 3.48Å; Y521-W566 HydrophobicContact CE1-CE3 4.43Å; Y521-W566 HydrophobicContact CE1-CZ3 4.04Å; Y521-W566 VanDerWaalsContact OH-CZ3 3.23Å; Y521-W566 WeakPolarHBondContact OH-CZ3 3.39Å; W566-A569 PolarHBondContact O-N 3.04Å; W566-L570 HydrophobicContact CE3-CD2 4.39Å; W566-L570 HydrophobicContact CZ3-CD2 3.94Å; W566-L570 VanDerWaalsContact O-CB 3.29Å; W566-L570 WeakPolarHBondContact O-CB 3.47Å; W566-L570 PolarHBondContact O-N 3.28Å
567	T	97.7	Very high	96.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-35.9	175.4	50.7	0	0	0	0	112.3	Y215 Y217 P565 E571 K577	Y215-T567 WeakPolarHBondContact CB-OG1 3.47Å; Y215-T567 PolarHBondContact O-OG1 3.47Å; Y217-T567 HydrophobicContact CD2-CG2 4.33Å; P565-T567 PolarHBondContact O-N 3.37Å; T567-E571 PolarHBondContact O-N 3.07Å; T567-K577 WeakPolarHBondContact CA-O 3.36Å; T567-K577 WeakPolarHBondContact CB-O 3.35Å; T567-K577 WeakPolarHBondContact CG2-O 3.42Å
568	L	96.9	Very high	96.6	Very high	33 Å²	33	35.1 Å²	35.1	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-76.6	-42.2	172.2	174.3	58.2	0	0	0	111.6	Y215 E564 P565 L570 E571 N572	Y215-L568 HydrophobicContact CD1-CB 3.73Å; Y215-L568 HydrophobicContact CE1-CB 3.72Å; Y215-L568 HydrophobicContact CE1-CD1 3.73Å; Y215-L568 HydrophobicContact CE1-CG 4.26Å; Y215-L568 HydrophobicContact CG-CB 4.45Å; E564-L568 HydrophobicContact CB-CD2 4.47Å; P565-L568 HydrophobicContact CB-CB 4.28Å; P565-L568 WeakPolarHBondContact O-CB 3.25Å; P565-L568 PolarHBondContact O-N 3.26Å; L568-L570 VanDerWaalsContact C-N 3.25Å; L568-L570 PolarHBondContact O-N 3.46Å; L568-E571 PolarHBondContact O-N 3.08Å; L568-N572 PolarHBondContact O-N 3Å; L568-N572 PolarHBondContact O-ND2 3.17Å
569	A	97.3	Very high	96.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-37.7	175.4	0	0	0	0	0	111.9	A396 F400 M557 L560 P565 W566	A396-A569 HydrophobicContact CB-CB 4.05Å; F400-A569 HydrophobicContact CE1-CB 3.81Å; F400-A569 HydrophobicContact CZ-CB 4.23Å; M557-A569 HydrophobicContact CG-CB 4.09Å; M557-A569 WeakPolarHBondContact CG-O 3.39Å; L560-A569 HydrophobicContact CD1-CB 4.17Å; P565-A569 PolarHBondContact O-N 3.31Å; W566-A569 PolarHBondContact O-N 3.04Å
570	L	97.8	Very high	96.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-50	172.5	-169.4	54.9	0	0	0	111.1	F400 Y521 F525 W566 L568 N572 V573 V574 A576 N578	F400-L570 HydrophobicContact CZ-CB 3.97Å; F400-L570 HydrophobicContact CZ-CD1 4.41Å; Y521-L570 HydrophobicContact CD1-CD1 4.16Å; Y521-L570 HydrophobicContact CD1-CD2 4.18Å; Y521-L570 HydrophobicContact CE1-CD2 3.88Å; F525-L570 HydrophobicContact CD1-CD1 4.36Å; F525-L570 HydrophobicContact CE1-CD1 3.64Å; F525-L570 HydrophobicContact CZ-CD1 4.17Å; W566-L570 HydrophobicContact CE3-CD2 4.39Å; W566-L570 HydrophobicContact CZ3-CD2 3.94Å; W566-L570 VanDerWaalsContact O-CB 3.29Å; W566-L570 WeakPolarHBondContact O-CB 3.47Å; W566-L570 PolarHBondContact O-N 3.28Å; L568-L570 VanDerWaalsContact C-N 3.25Å; L568-L570 PolarHBondContact O-N 3.46Å; L570-N572 VanDerWaalsContact C-N 3.32Å; L570-N572 PolarHBondContact O-N 2.85Å; L570-V573 CarbonylContact O-C 3.47Å; L570-V573 PolarHBondContact O-N 3.39Å; L570-V574 HydrophobicContact CD1-CG1 3.91Å; L570-V574 HydrophobicContact CD1-CG2 3.78Å; L570-V574 HydrophobicContact CG-CG2 3.75Å; L570-V574 PolarHBondContact O-N 3.1Å; L570-A576 WeakPolarHBondContact CG-O 3.43Å; L570-N578 WeakPolarHBondContact CD2-O 3.49Å
571	E	97.4	Very high	96.5	Very high	57 Å²	57	31.6 Å²	31.6	27%	0.266	18%	0.182	S	C	.	.	H	α-helix	trans	-60.7	-38.3	-177.8	-171.2	168.8	-113.1	0	0	112.7	Y215 T567 L568 V573 V574 G575 A576 K577	Y215-E571 WeakPolarHBondContact CE1-OE2 3.21Å; Y215-E571 PolarHBondContact OH-OE2 3.37Å; T567-E571 PolarHBondContact O-N 3.07Å; L568-E571 PolarHBondContact O-N 3.08Å; E571-V573 PolarHBondContact O-N 3.46Å; E571-V574 PolarHBondContact O-N 3.49Å; E571-G575 WeakPolarHBondContact O-CA 3.48Å; E571-G575 PolarHBondContact O-N 2.93Å; E571-A576 WeakPolarHBondContact CA-O 3.36Å; E571-A576 PolarHBondContact N-O 3.38Å; E571-K577 HydrophobicContact CB-CG 4.3Å; E571-K577 VanDerWaalsContact CD-CE 3.5Å; E571-K577 HydrophobicContact CG-CG 4.42Å; E571-K577 WeakPolarHBondContact OE1-CE 3.28Å; E571-K577 WeakPolarHBondContact OE1-CG 3.36Å; E571-K577 VanDerWaalsContact OE2-CE 3.25Å; E571-K577 WeakPolarHBondContact OE2-CE 3.45Å; E571-K577 IonicContact OE2-NZ 2.89Å
572	N	94.6	Very high	96.6	Very high	80 Å²	80	39.1 Å²	39.1	43%	0.428	21%	0.21	S	C	.	.	H	α-helix	trans	-56.4	-31.2	173.9	-75.5	-36.8	0	0	0	113.3	K553 L568 L570	K553-N572 PolarHBondContact NZ-O 2.87Å; L568-N572 PolarHBondContact O-N 3Å; L568-N572 PolarHBondContact O-ND2 3.17Å; L570-N572 VanDerWaalsContact C-N 3.32Å; L570-N572 PolarHBondContact O-N 2.85Å
573	V	96.1	Very high	96.7	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-92.2	-54.8	174.6	-171.1	0	0	0	0	111.1	F525 A528 K553 M557 L570 E571	F525-V573 HydrophobicContact CD1-CB 3.99Å; F525-V573 HydrophobicContact CD1-CG1 3.71Å; F525-V573 HydrophobicContact CD1-CG2 4.42Å; F525-V573 HydrophobicContact CE1-CB 4.1Å; F525-V573 HydrophobicContact CE1-CG1 4.31Å; F525-V573 HydrophobicContact CE1-CG2 4.24Å; A528-V573 HydrophobicContact CB-CG1 4.29Å; A528-V573 WeakPolarHBondContact CB-O 3.45Å; K553-V573 WeakPolarHBondContact CE-O 3.35Å; K553-V573 PolarHBondContact NZ-O 3.45Å; M557-V573 HydrophobicContact CB-CG2 3.48Å; M557-V573 VanDerWaalsContact CB-CG2 3.48Å; M557-V573 HydrophobicContact CE-CG2 4.45Å; M557-V573 HydrophobicContact CG-CG2 3.79Å; L570-V573 CarbonylContact O-C 3.47Å; L570-V573 PolarHBondContact O-N 3.39Å; E571-V573 PolarHBondContact O-N 3.46Å
574	V	97	Very high	96.8	Very high	33 Å²	33	36 Å²	36	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-105.9	-3.4	-162.4	-41.1	0	0	0	0	114.4	Q524 F525 A528 L570 E571 A576	Q524-V574 HydrophobicContact CB-CB 4.37Å; Q524-V574 HydrophobicContact CB-CG1 3.91Å; Q524-V574 WeakPolarHBondContact O-CG1 3.38Å; F525-V574 HydrophobicContact CD1-CG1 3.7Å; F525-V574 HydrophobicContact CE1-CG1 4.19Å; A528-V574 HydrophobicContact CB-CB 4.34Å; A528-V574 HydrophobicContact CB-CG1 4.2Å; L570-V574 HydrophobicContact CD1-CG1 3.91Å; L570-V574 HydrophobicContact CD1-CG2 3.78Å; L570-V574 HydrophobicContact CG-CG2 3.75Å; L570-V574 PolarHBondContact O-N 3.1Å; E571-V574 PolarHBondContact O-N 3.49Å; V574-A576 VanDerWaalsContact C-N 3.26Å; V574-A576 HydrophobicContact CG2-CB 4.24Å; V574-A576 PolarHBondContact O-N 3.19Å
575	G	95.8	Very high	96.9	Very high	61 Å²	61	33.9 Å²	33.9	63%	0.629	19%	0.186	S	C	*	.	S	Bend	trans	70.3	17.6	-179	0	0	0	0	0	114.8	E571	E571-G575 WeakPolarHBondContact O-CA 3.48Å; E571-G575 PolarHBondContact O-N 2.93Å
576	A	95.7	Very high	96.9	Very high	37 Å²	37	37.3 Å²	37.3	31%	0.306	20%	0.204	S	C	.	.			trans	-145.3	149.8	175.4	0	0	0	0	0	111	L570 E571 V574	L570-A576 WeakPolarHBondContact CG-O 3.43Å; E571-A576 WeakPolarHBondContact CA-O 3.36Å; E571-A576 PolarHBondContact N-O 3.38Å; V574-A576 VanDerWaalsContact C-N 3.26Å; V574-A576 HydrophobicContact CG2-CB 4.24Å; V574-A576 PolarHBondContact O-N 3.19Å
577	K	96.3	Very high	97	Very high	54 Å²	54	37.2 Å²	37.2	24%	0.235	20%	0.204	C	C	.	.	S	Bend	trans	-87	-24.8	-172	-56.8	-167.3	-179.9	-156.9	0	115.6	G214 Y215 T567 E571	G214-K577 WeakPolarHBondContact O-CD 3.49Å; G214-K577 PolarHBondContact O-NZ 3.34Å; Y215-K577 HydrophobicContact CD1-CD 3.81Å; Y215-K577 HydrophobicContact CE1-CD 3.81Å; Y215-K577 HydrophobicContact CE1-CG 4.39Å; Y215-K577 PolarHBondContact OH-NZ 3.24Å; T567-K577 WeakPolarHBondContact CA-O 3.36Å; T567-K577 WeakPolarHBondContact CB-O 3.35Å; T567-K577 WeakPolarHBondContact CG2-O 3.42Å; E571-K577 HydrophobicContact CB-CG 4.3Å; E571-K577 VanDerWaalsContact CD-CE 3.5Å; E571-K577 HydrophobicContact CG-CG 4.42Å; E571-K577 WeakPolarHBondContact OE1-CE 3.28Å; E571-K577 WeakPolarHBondContact OE1-CG 3.36Å; E571-K577 VanDerWaalsContact OE2-CE 3.25Å; E571-K577 WeakPolarHBondContact OE2-CE 3.45Å; E571-K577 IonicContact OE2-NZ 2.89Å
578	N	95.3	Very high	97	Very high	69 Å²	69	37.2 Å²	37.2	37%	0.369	20%	0.203	S	C	.	.	S	Bend	trans	-113	162.8	-172.3	-66	27.6	0	0	0	111.7	Q524 L570	Q524-N578 PolarHBondContact NE2-O 3.25Å; L570-N578 WeakPolarHBondContact CD2-O 3.49Å
579	M	95.9	Very high	97	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.025	21%	0.212	C	C	.	.			trans	-63.2	139.1	170.9	69.1	-176.8	77.4	0	0	111.3	L222 D225 V226 T517 L520 Y521	L222-M579 HydrophobicContact CD1-CE 3.72Å; D225-M579 HydrophobicContact CB-CE 4.28Å; D225-M579 HydrophobicContact CB-CG 4.24Å; D225-M579 HydrophobicContact CB-SD 4.05Å; V226-M579 HydrophobicContact CG2-SD 4.49Å; T517-M579 HydrophobicContact CG2-CE 3.91Å; T517-M579 HydrophobicContact CG2-SD 4.41Å; L520-M579 HydrophobicContact CD2-CB 4.02Å; L520-M579 HydrophobicContact CD2-CG 4.01Å; L520-M579 HydrophobicContact CD2-SD 4.01Å; Y521-M579 HydrophobicContact CD1-CB 4.46Å; Y521-M579 HydrophobicContact CE1-CB 3.88Å
580	N	96.8	Very high	97.1	Very high	56 Å²	56	41.8 Å²	41.8	30%	0.299	23%	0.228	S	C	.	.			trans	-146.1	126.7	-174.4	-174.9	-21.3	0	0	0	109.7	Q524 R582 P583	Q524-N580 VanDerWaalsContact CD-N 3.32Å; Q524-N580 HydrophobicContact CG-CB 4.45Å; Q524-N580 VanDerWaalsContact CG-O 3.27Å; Q524-N580 WeakPolarHBondContact CG-O 3.36Å; Q524-N580 PolarHBondContact OE1-O 2.72Å; N580-R582 WeakPolarHBondContact OD1-CB 3.23Å; N580-R582 WeakPolarHBondContact OD1-CG 3.43Å; N580-R582 PolarHBondContact OD1-N 2.87Å; N580-P583 WeakPolarHBondContact O-CD 3.44Å
581	V	97.5	Very high	97.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.			trans	-94.2	-5.1	-172.9	75.3	0	0	0	0	114.2	T229 E232 I233 L520 L584 L585	T229-V581 HydrophobicContact CG2-CB 4.38Å; T229-V581 HydrophobicContact CG2-CG1 4.36Å; E232-V581 HydrophobicContact CB-CG1 3.62Å; E232-V581 HydrophobicContact CG-CG1 4.47Å; I233-V581 HydrophobicContact CD1-CG2 3.87Å; I233-V581 HydrophobicContact CG1-CG2 3.53Å; L520-V581 HydrophobicContact CD1-CG2 4.13Å; L520-V581 HydrophobicContact CD2-CB 4.24Å; L520-V581 HydrophobicContact CG-CB 4.06Å; L520-V581 HydrophobicContact CG-CG2 4.05Å; V581-L584 HydrophobicContact CG2-CB 4Å; V581-L584 HydrophobicContact CG2-CD1 4.23Å; V581-L584 HydrophobicContact CG2-CD2 4.27Å; V581-L584 HydrophobicContact CG2-CG 4.4Å; V581-L584 WeakPolarHBondContact O-CB 3.34Å; V581-L584 PolarHBondContact O-N 3.02Å; V581-L584 VanDerWaalsContact O-N 3.07Å; V581-L585 HydrophobicContact CG1-CD1 4.37Å; V581-L585 PolarHBondContact O-N 3.28Å; V581-L585 VanDerWaalsContact O-N 3.1Å
582	R	98	Very high	97.2	Very high	159 Å²	159	40.2 Å²	40.2	60%	0.6	22%	0.221	S	C	*	.	H	α-helix	trans	-56.1	-39.8	177.7	-66.1	179.1	-175.3	-178.4	1	113.8	N580 L584 L585 N586	N580-R582 WeakPolarHBondContact OD1-CB 3.23Å; N580-R582 WeakPolarHBondContact OD1-CG 3.43Å; N580-R582 PolarHBondContact OD1-N 2.87Å; R582-L584 VanDerWaalsContact C-N 3.29Å; R582-L584 PolarHBondContact O-N 2.99Å; R582-L585 PolarHBondContact O-N 2.68Å; R582-N586 WeakPolarHBondContact O-CB 3.39Å; R582-N586 PolarHBondContact O-N 2.77Å; R582-N586 PolarHBondContact O-ND2 3.35Å; R582-N586 PolarHBondContact O-OD1 3.42Å
583	P	98.3	Very high	97.4	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-31.5	176.6	-27.1	39.9	0	0	0	113.8	F523 Q524 E527 N580 Y587	F523-P583 HydrophobicContact CB-CB 3.8Å; F523-P583 WeakPolarHBondContact O-CB 3.33Å; Q524-P583 HydrophobicContact CG-CG 4.07Å; E527-P583 HydrophobicContact CB-CB 4.05Å; N580-P583 WeakPolarHBondContact O-CD 3.44Å; P583-Y587 WeakPolarHBondContact O-CB 3.23Å; P583-Y587 PolarHBondContact O-N 2.87Å
584	L	98.4	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-45	172.6	178.8	158.4	0	0	0	110.6	L236 L450 T519 F523 V581 R582 Y587 F588	L236-L584 HydrophobicContact CD2-CD2 4.3Å; L450-L584 HydrophobicContact CD1-CD1 3.77Å; T519-L584 HydrophobicContact CG2-CD1 3.88Å; F523-L584 HydrophobicContact CB-CB 4.18Å; F523-L584 HydrophobicContact CD2-CB 3.51Å; F523-L584 HydrophobicContact CD2-CD1 3.81Å; F523-L584 HydrophobicContact CD2-CG 3.72Å; F523-L584 HydrophobicContact CE2-CB 4.11Å; F523-L584 HydrophobicContact CE2-CD1 3.79Å; F523-L584 HydrophobicContact CE2-CG 3.77Å; F523-L584 HydrophobicContact CG-CB 3.96Å; V581-L584 HydrophobicContact CG2-CB 4Å; V581-L584 HydrophobicContact CG2-CD1 4.23Å; V581-L584 HydrophobicContact CG2-CD2 4.27Å; V581-L584 HydrophobicContact CG2-CG 4.4Å; V581-L584 WeakPolarHBondContact O-CB 3.34Å; V581-L584 PolarHBondContact O-N 3.02Å; V581-L584 VanDerWaalsContact O-N 3.07Å; R582-L584 VanDerWaalsContact C-N 3.29Å; R582-L584 PolarHBondContact O-N 2.99Å; L584-Y587 WeakPolarHBondContact O-CB 3.22Å; L584-Y587 PolarHBondContact O-N 3.38Å; L584-F588 HydrophobicContact CD2-CD2 4.11Å; L584-F588 HydrophobicContact CG-CD2 4.3Å; L584-F588 HydrophobicContact CG-CE2 4.42Å; L584-F588 WeakPolarHBondContact O-CD2 3.34Å; L584-F588 PolarHBondContact O-N 3.28Å
585	L	98.3	Very high	97.6	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-41.9	175.5	-61.8	175.8	0	0	0	111.5	L236 V581 R582 Y587 F588 E589	L236-L585 HydrophobicContact CB-CD2 4.29Å; L236-L585 HydrophobicContact CD2-CD2 3.99Å; V581-L585 HydrophobicContact CG1-CD1 4.37Å; V581-L585 PolarHBondContact O-N 3.28Å; V581-L585 VanDerWaalsContact O-N 3.1Å; R582-L585 PolarHBondContact O-N 2.68Å; L585-Y587 VanDerWaalsContact C-N 3.3Å; L585-Y587 PolarHBondContact O-N 3Å; L585-F588 CarbonylContact O-C 3.51Å; L585-F588 PolarHBondContact O-N 2.8Å; L585-E589 PolarHBondContact O-N 3.46Å
586	N	97.6	Very high	97.7	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	21%	0.207	S	C	.	.	H	α-helix	trans	-57.9	-39.2	174.5	-69.4	-15.1	0	0	0	112.3	E527 R582	E527-N586 PolarHBondContact OE1-ND2 2.96Å; R582-N586 WeakPolarHBondContact O-CB 3.39Å; R582-N586 PolarHBondContact O-N 2.77Å; R582-N586 PolarHBondContact O-ND2 3.35Å; R582-N586 PolarHBondContact O-OD1 3.42Å
587	Y	97.7	Very high	97.9	Very high	3 Å²	3	43 Å²	43	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-44.5	176.5	-173.4	-81.2	0	0	0	111.7	L410 F438 L439 F523 L539 H540 P583 L584 L585	L410-Y587 HydrophobicContact CD2-CE2 4.32Å; F438-Y587 WeakPolarHBondContact CE1-OH 3.45Å; L439-Y587 HydrophobicContact CD2-CD1 4.03Å; L439-Y587 HydrophobicContact CD2-CE1 3.76Å; F523-Y587 AromaticContact CD1-CD2 3.74Å; F523-Y587 HydrophobicContact CD1-CD2 3.74Å; F523-Y587 HydrophobicContact CD1-CE2 4.42Å; F523-Y587 AromaticContact CD1-CG 3.89Å; F523-Y587 HydrophobicContact CD1-CG 3.89Å; F523-Y587 AromaticContact CE1-CD1 3.86Å; F523-Y587 HydrophobicContact CE1-CD1 3.86Å; F523-Y587 AromaticContact CE1-CD2 3.45Å; F523-Y587 HydrophobicContact CE1-CD2 3.45Å; F523-Y587 VanDerWaalsContact CE1-CD2 3.45Å; F523-Y587 HydrophobicContact CE1-CE1 4.22Å; F523-Y587 AromaticContact CE1-CE2 3.81Å; F523-Y587 HydrophobicContact CE1-CE2 3.81Å; F523-Y587 AromaticContact CE1-CG 3.47Å; F523-Y587 HydrophobicContact CE1-CG 3.47Å; F523-Y587 VanDerWaalsContact CE1-CG 3.47Å; F523-Y587 HydrophobicContact CZ-CD1 4.43Å; F523-Y587 HydrophobicContact CZ-CG 4.4Å; L539-Y587 HydrophobicContact CD2-CD2 4.39Å; L539-Y587 HydrophobicContact CG-CD2 4.13Å; H540-Y587 VanDerWaalsContact CA-CE2 3.43Å; H540-Y587 HydrophobicContact CB-CD1 4.14Å; H540-Y587 HydrophobicContact CB-CD2 3.94Å; H540-Y587 HydrophobicContact CB-CE1 3.8Å; H540-Y587 HydrophobicContact CB-CE2 3.61Å; H540-Y587 HydrophobicContact CB-CG 4.2Å; P583-Y587 WeakPolarHBondContact O-CB 3.23Å; P583-Y587 PolarHBondContact O-N 2.87Å; L584-Y587 WeakPolarHBondContact O-CB 3.22Å; L584-Y587 PolarHBondContact O-N 3.38Å; L585-Y587 VanDerWaalsContact C-N 3.3Å; L585-Y587 PolarHBondContact O-N 3Å
588	F	98.4	Very high	98	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-92.9	-5.4	-175	-71.5	-68.7	0	0	0	115.4	L236 L439 Q442 A443 I446 V447 F523 L584 L585 P590 L591 F592	L236-F588 HydrophobicContact CD1-CB 4.47Å; L236-F588 HydrophobicContact CD2-CB 3.78Å; L236-F588 HydrophobicContact CD2-CD2 4.34Å; L236-F588 HydrophobicContact CD2-CG 4.27Å; L439-F588 HydrophobicContact CD2-CD1 4.14Å; L439-F588 HydrophobicContact CD2-CE1 4.39Å; Q442-F588 HydrophobicContact CB-CE1 3.87Å; Q442-F588 HydrophobicContact CB-CZ 4.07Å; A443-F588 HydrophobicContact CB-CD1 4.06Å; A443-F588 HydrophobicContact CB-CE1 3.72Å; A443-F588 HydrophobicContact CB-CZ 4.37Å; I446-F588 HydrophobicContact CB-CE2 4.46Å; I446-F588 HydrophobicContact CB-CZ 4.21Å; I446-F588 HydrophobicContact CD1-CZ 4.4Å; I446-F588 HydrophobicContact CG2-CE2 4.13Å; I446-F588 HydrophobicContact CG2-CZ 4.36Å; V447-F588 HydrophobicContact CG2-CD2 3.91Å; V447-F588 HydrophobicContact CG2-CE2 3.76Å; V447-F588 HydrophobicContact CG2-CG 4.4Å; V447-F588 HydrophobicContact CG2-CZ 4.13Å; F523-F588 HydrophobicContact CE2-CE2 4.43Å; F523-F588 AromaticContact CZ-CE2 3.91Å; F523-F588 HydrophobicContact CZ-CE2 3.91Å; F523-F588 HydrophobicContact CZ-CZ 4.46Å; L584-F588 HydrophobicContact CD2-CD2 4.11Å; L584-F588 HydrophobicContact CG-CD2 4.3Å; L584-F588 HydrophobicContact CG-CE2 4.42Å; L584-F588 WeakPolarHBondContact O-CD2 3.34Å; L584-F588 PolarHBondContact O-N 3.28Å; L585-F588 CarbonylContact O-C 3.51Å; L585-F588 PolarHBondContact O-N 2.8Å; F588-P590 VanDerWaalsContact C-N 3.34Å; F588-P590 VanDerWaalsContact O-N 3.16Å; F588-L591 HydrophobicContact CD1-CD2 4.18Å; F588-L591 CarbonylContact O-C 3.52Å; F588-L591 WeakPolarHBondContact O-CA 3.4Å; F588-L591 WeakPolarHBondContact O-CB 3.39Å; F588-L591 PolarHBondContact O-N 3.45Å; F588-F592 PolarHBondContact O-N 3.2Å
589	E	98.2	Very high	98.1	Very high	78 Å²	78	41.7 Å²	41.7	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-51.5	-38.2	-176.8	-174.6	55.5	-134.2	0	0	115	L585 L591 F592 T593	L585-E589 PolarHBondContact O-N 3.46Å; E589-L591 VanDerWaalsContact C-N 3.34Å; E589-L591 PolarHBondContact O-N 3.16Å; E589-F592 PolarHBondContact O-N 2.7Å; E589-F592 WeakPolarHBondContact OE2-CD1 3.5Å; E589-T593 WeakPolarHBondContact O-CB 3.23Å; E589-T593 PolarHBondContact O-N 2.71Å; E589-T593 PolarHBondContact O-OG1 2.64Å; E589-T593 PolarHBondContact OE1-OG1 2.86Å
590	P	98.1	Very high	98.2	Very high	52 Å²	52	48.5 Å²	48.5	34%	0.338	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-41.4	174.5	-22.2	34.1	0	0	0	112.6	L439 F588 W594	L439-P590 HydrophobicContact CD1-CB 3.92Å; L439-P590 HydrophobicContact CD1-CG 4.29Å; F588-P590 VanDerWaalsContact C-N 3.34Å; F588-P590 VanDerWaalsContact O-N 3.16Å; P590-W594 WeakPolarHBondContact O-CB 3.42Å; P590-W594 PolarHBondContact O-N 3.34Å; P590-W594 VanDerWaalsContact O-N 3.1Å
591	L	98.6	Very high	98.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-39.1	173.6	-179.4	72.2	0	0	0	111	I436 L439 L440 A443 F588 E589 T593 W594 L595	I436-L591 HydrophobicContact CD1-CB 4.47Å; I436-L591 HydrophobicContact CD1-CD1 4.35Å; I436-L591 HydrophobicContact CG2-CD1 4.31Å; L439-L591 HydrophobicContact CB-CB 3.9Å; L439-L591 HydrophobicContact CB-CD1 4.45Å; L439-L591 HydrophobicContact CB-CD2 4.23Å; L439-L591 HydrophobicContact CB-CG 4.42Å; L439-L591 HydrophobicContact CD1-CB 4.14Å; L440-L591 HydrophobicContact CB-CD1 4.3Å; L440-L591 HydrophobicContact CD1-CD1 4.24Å; L440-L591 HydrophobicContact CD1-CD2 4.39Å; A443-L591 HydrophobicContact CB-CD2 3.51Å; F588-L591 HydrophobicContact CD1-CD2 4.18Å; F588-L591 CarbonylContact O-C 3.52Å; F588-L591 WeakPolarHBondContact O-CA 3.4Å; F588-L591 WeakPolarHBondContact O-CB 3.39Å; F588-L591 PolarHBondContact O-N 3.45Å; E589-L591 VanDerWaalsContact C-N 3.34Å; E589-L591 PolarHBondContact O-N 3.16Å; L591-T593 PolarHBondContact O-N 3.32Å; L591-W594 HydrophobicContact CD1-CE3 4.05Å; L591-W594 PolarHBondContact O-N 3.43Å; L591-L595 HydrophobicContact CD1-CD1 4.38Å; L591-L595 HydrophobicContact CD1-CG 4.19Å; L591-L595 HydrophobicContact CD2-CD1 4.17Å; L591-L595 HydrophobicContact CG-CD1 3.82Å; L591-L595 HydrophobicContact CG-CG 4.07Å; L591-L595 WeakPolarHBondContact O-CB 3.18Å; L591-L595 VanDerWaalsContact O-CG 3.28Å; L591-L595 WeakPolarHBondContact O-CG 3.11Å; L591-L595 PolarHBondContact O-N 3.45Å
592	F	98.8	Very high	98	Very high	25 Å²	25	56.2 Å²	56.2	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-44.1	179.1	-168.4	-160	0	0	0	111.7	P235 L236 H239 F588 E589 L595 K596	P235-F592 HydrophobicContact CB-CE2 4.49Å; P235-F592 HydrophobicContact CB-CZ 3.85Å; P235-F592 WeakPolarHBondContact O-CE2 3.45Å; L236-F592 HydrophobicContact CB-CD2 4.36Å; L236-F592 HydrophobicContact CB-CE2 4.35Å; L236-F592 HydrophobicContact CD1-CB 3.79Å; L236-F592 HydrophobicContact CD1-CD2 3.77Å; L236-F592 HydrophobicContact CD1-CG 3.85Å; H239-F592 HydrophobicContact CB-CE2 4.37Å; H239-F592 AromaticContact CD2-CE2 3.81Å; F588-F592 PolarHBondContact O-N 3.2Å; E589-F592 PolarHBondContact O-N 2.7Å; E589-F592 WeakPolarHBondContact OE2-CD1 3.5Å; F592-L595 PolarHBondContact O-N 2.85Å; F592-K596 HydrophobicContact CD2-CD 4.35Å; F592-K596 HydrophobicContact CD2-CG 4.45Å; F592-K596 HydrophobicContact CE2-CD 4.38Å; F592-K596 HydrophobicContact CE2-CG 4.45Å; F592-K596 VanDerWaalsContact CZ-NZ 3.31Å; F592-K596 WeakPolarHBondContact O-CD 3.49Å; F592-K596 VanDerWaalsContact O-CG 3.31Å; F592-K596 WeakPolarHBondContact O-CG 3.3Å; F592-K596 PolarHBondContact O-N 3.11Å
593	T	98.6	Very high	98	Very high	81 Å²	81	53.7 Å²	53.7	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-41.5	173.5	-75.5	0	0	0	0	111.7	E589 L591 K596 D597	E589-T593 WeakPolarHBondContact O-CB 3.23Å; E589-T593 PolarHBondContact O-N 2.71Å; E589-T593 PolarHBondContact O-OG1 2.64Å; E589-T593 PolarHBondContact OE1-OG1 2.86Å; L591-T593 PolarHBondContact O-N 3.32Å; T593-K596 PolarHBondContact O-N 2.98Å; T593-D597 PolarHBondContact O-N 2.65Å
594	W	98.8	Very high	98	Very high	38 Å²	38	55.4 Å²	55.4	14%	0.144	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-44.8	175.8	-176.7	85.7	0	0	0	113	Y243 P284 F285 I436 P590 L591 K596 D597 Q598	Y243-W594 HydrophobicContact CD2-CH2 4.3Å; Y243-W594 HydrophobicContact CD2-CZ3 4.1Å; Y243-W594 HydrophobicContact CE1-CZ3 4.41Å; Y243-W594 AromaticContact CE2-CH2 3.45Å; Y243-W594 HydrophobicContact CE2-CH2 3.45Å; Y243-W594 VanDerWaalsContact CE2-CH2 3.45Å; Y243-W594 AromaticContact CE2-CZ3 3.64Å; Y243-W594 HydrophobicContact CE2-CZ3 3.64Å; Y243-W594 AromaticContact CZ-CH2 3.65Å; Y243-W594 AromaticContact CZ-CZ3 3.82Å; P284-W594 HydrophobicContact CB-CH2 3.52Å; P284-W594 HydrophobicContact CB-CZ2 3.7Å; P284-W594 HydrophobicContact CB-CZ3 4.37Å; P284-W594 HydrophobicContact CG-CH2 3.64Å; P284-W594 HydrophobicContact CG-CZ2 4.26Å; P284-W594 HydrophobicContact CG-CZ3 4.03Å; F285-W594 HydrophobicContact CE2-CZ2 4.34Å; F285-W594 HydrophobicContact CZ-CZ2 4.34Å; F285-W594 AromaticContact CZ-NE1 3.97Å; I436-W594 HydrophobicContact CD1-CB 3.65Å; I436-W594 HydrophobicContact CD1-CD2 4.5Å; I436-W594 HydrophobicContact CD1-CG 3.91Å; I436-W594 HydrophobicContact CG1-CB 4.46Å; I436-W594 HydrophobicContact CG1-CG 4.23Å; I436-W594 HydrophobicContact CG2-CD2 3.62Å; I436-W594 HydrophobicContact CG2-CE3 3.87Å; I436-W594 HydrophobicContact CG2-CG 4.04Å; I436-W594 HydrophobicContact CG2-CH2 4.33Å; I436-W594 HydrophobicContact CG2-CZ2 4.13Å; I436-W594 HydrophobicContact CG2-CZ3 4.21Å; P590-W594 WeakPolarHBondContact O-CB 3.42Å; P590-W594 PolarHBondContact O-N 3.34Å; P590-W594 VanDerWaalsContact O-N 3.1Å; L591-W594 HydrophobicContact CD1-CE3 4.05Å; L591-W594 PolarHBondContact O-N 3.43Å; W594-K596 VanDerWaalsContact C-N 3.3Å; W594-K596 PolarHBondContact O-N 3.06Å; W594-D597 WeakPolarHBondContact O-CB 3.45Å; W594-D597 PolarHBondContact O-N 2.88Å; W594-Q598 HydrophobicContact CD2-CG 3.81Å; W594-Q598 HydrophobicContact CE3-CG 3.99Å; W594-Q598 HydrophobicContact CH2-CG 3.72Å; W594-Q598 HydrophobicContact CZ2-CG 3.49Å; W594-Q598 VanDerWaalsContact CZ2-CG 3.49Å; W594-Q598 HydrophobicContact CZ3-CG 3.96Å; W594-Q598 WeakPolarHBondContact O-CG 3.32Å; W594-Q598 PolarHBondContact O-N 2.98Å
595	L	98.8	Very high	98	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-36.7	176.6	-72.3	170.2	0	0	0	111.7	H239 L240 Y243 L591 F592 D597 N599	H239-L595 HydrophobicContact CB-CB 4.11Å; L240-L595 HydrophobicContact CB-CD1 4.28Å; L240-L595 HydrophobicContact CD1-CD1 4.47Å; Y243-L595 HydrophobicContact CD1-CD2 3.96Å; Y243-L595 HydrophobicContact CD2-CD2 4.09Å; Y243-L595 HydrophobicContact CG-CD2 3.59Å; L591-L595 HydrophobicContact CD1-CD1 4.38Å; L591-L595 HydrophobicContact CD1-CG 4.19Å; L591-L595 HydrophobicContact CD2-CD1 4.17Å; L591-L595 HydrophobicContact CG-CD1 3.82Å; L591-L595 HydrophobicContact CG-CG 4.07Å; L591-L595 WeakPolarHBondContact O-CB 3.18Å; L591-L595 VanDerWaalsContact O-CG 3.28Å; L591-L595 WeakPolarHBondContact O-CG 3.11Å; L591-L595 PolarHBondContact O-N 3.45Å; F592-L595 PolarHBondContact O-N 2.85Å; L595-D597 VanDerWaalsContact C-N 3.3Å; L595-D597 PolarHBondContact O-N 3.39Å; L595-N599 VanDerWaalsContact O-CB 3.29Å; L595-N599 WeakPolarHBondContact O-CB 3.44Å; L595-N599 PolarHBondContact O-N 3.09Å; L595-N599 PolarHBondContact O-ND2 3.21Å
596	K	98.7	Very high	98	Very high	79 Å²	79	56.2 Å²	56.2	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-37	172.6	-76.3	162.1	-178.3	153.1	0	112.5	F592 T593 W594	F592-K596 HydrophobicContact CD2-CD 4.35Å; F592-K596 HydrophobicContact CD2-CG 4.45Å; F592-K596 HydrophobicContact CE2-CD 4.38Å; F592-K596 HydrophobicContact CE2-CG 4.45Å; F592-K596 VanDerWaalsContact CZ-NZ 3.31Å; F592-K596 WeakPolarHBondContact O-CD 3.49Å; F592-K596 VanDerWaalsContact O-CG 3.31Å; F592-K596 WeakPolarHBondContact O-CG 3.3Å; F592-K596 PolarHBondContact O-N 3.11Å; T593-K596 PolarHBondContact O-N 2.98Å; W594-K596 VanDerWaalsContact C-N 3.3Å; W594-K596 PolarHBondContact O-N 3.06Å
597	D	98.4	Very high	98	Very high	73 Å²	73	54.3 Å²	54.3	39%	0.39	28%	0.28	S	S	.	.	H	α-helix	trans	-69.6	-49	176.4	-179.1	76.4	0	0	0	112	T593 W594 L595 N599 K600	T593-D597 PolarHBondContact O-N 2.65Å; W594-D597 WeakPolarHBondContact O-CB 3.45Å; W594-D597 PolarHBondContact O-N 2.88Å; L595-D597 VanDerWaalsContact C-N 3.3Å; L595-D597 PolarHBondContact O-N 3.39Å; D597-N599 PolarHBondContact O-N 3.09Å; D597-K600 WeakPolarHBondContact O-CB 3.38Å; D597-K600 WeakPolarHBondContact O-CD 3.33Å; D597-K600 WeakPolarHBondContact O-CG 3.5Å; D597-K600 PolarHBondContact O-N 2.93Å; D597-K600 WeakPolarHBondContact OD1-CE 3.21Å; D597-K600 IonicContact OD1-NZ 2.69Å; D597-K600 PolarHBondContact OD1-NZ 3.38Å
598	Q	98.2	Very high	97.9	Very high	88 Å²	88	56.9 Å²	56.9	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-38.6	-179.1	-62.3	-59.8	-78.7	0	0	112.9	Y243 W594 K600	Y243-Q598 HydrophobicContact CD2-CB 4.32Å; W594-Q598 HydrophobicContact CD2-CG 3.81Å; W594-Q598 HydrophobicContact CE3-CG 3.99Å; W594-Q598 HydrophobicContact CH2-CG 3.72Å; W594-Q598 HydrophobicContact CZ2-CG 3.49Å; W594-Q598 VanDerWaalsContact CZ2-CG 3.49Å; W594-Q598 HydrophobicContact CZ3-CG 3.96Å; W594-Q598 WeakPolarHBondContact O-CG 3.32Å; W594-Q598 PolarHBondContact O-N 2.98Å; Q598-K600 PolarHBondContact O-N 2.86Å
599	N	98.5	Very high	97.7	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.037	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-76.8	2.9	-179.4	-74.1	-64.9	0	0	0	114.3	H239 A242 Y243 L595 D597 N601 S602 V604	H239-N599 PolarHBondContact ND1-ND2 3.1Å; H239-N599 PolarHBondContact O-ND2 2.91Å; A242-N599 VanDerWaalsContact CB-OD1 3.29Å; A242-N599 WeakPolarHBondContact CB-OD1 3.43Å; Y243-N599 PolarHBondContact N-OD1 3.22Å; L595-N599 VanDerWaalsContact O-CB 3.29Å; L595-N599 WeakPolarHBondContact O-CB 3.44Å; L595-N599 PolarHBondContact O-N 3.09Å; L595-N599 PolarHBondContact O-ND2 3.21Å; D597-N599 PolarHBondContact O-N 3.09Å; N599-N601 PolarHBondContact O-N 2.75Å; N599-S602 PolarHBondContact O-N 2.89Å; N599-V604 HydrophobicContact CB-CG2 3.94Å
600	K	96.8	Very high	97.6	Very high	148 Å²	148	62.4 Å²	62.4	64%	0.643	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-52.1	-29.3	-177.6	-82.8	171.4	178.5	166.1	0	115.3	D597 Q598	D597-K600 WeakPolarHBondContact O-CB 3.38Å; D597-K600 WeakPolarHBondContact O-CD 3.33Å; D597-K600 WeakPolarHBondContact O-CG 3.5Å; D597-K600 PolarHBondContact O-N 2.93Å; D597-K600 WeakPolarHBondContact OD1-CE 3.21Å; D597-K600 IonicContact OD1-NZ 2.69Å; D597-K600 PolarHBondContact OD1-NZ 3.38Å; Q598-K600 PolarHBondContact O-N 2.86Å
601	N	95.6	Very high	97.4	Very high	165 Å²	165	60.1 Å²	60.1	88%	0.882	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-109.4	11.7	-179.4	-59.2	-48.3	0	0	0	112.9	N599	N599-N601 PolarHBondContact O-N 2.75Å
602	S	95.9	Very high	97.2	Very high	54 Å²	54	61.2 Å²	61.2	38%	0.378	32%	0.315	S	S	.	.	S	Bend	trans	-120.1	152.5	-174.5	-59.5	0	0	0	0	110.6	N599	N599-S602 PolarHBondContact O-N 2.89Å
603	F	97.8	Very high	97	Very high	105 Å²	105	60.2 Å²	60.2	46%	0.461	31%	0.311	S	S	.	.			trans	-72.7	135.4	171.4	-171.7	-104	0	0	0	109.9	A242 R245 T259 G605	A242-F603 WeakPolarHBondContact CB-O 3.36Å; R245-F603 PolarHBondContact NH2-O 3.17Å; T259-F603 HydrophobicContact CG2-CB 3.92Å; T259-F603 HydrophobicContact CG2-CD1 4.07Å; T259-F603 HydrophobicContact CG2-CD2 4.36Å; T259-F603 HydrophobicContact CG2-CG 3.86Å; F603-G605 WeakPolarHBondContact CD1-O 3.34Å
604	V	98.6	Very high	96.6	Very high	45 Å²	45	58.5 Å²	58.5	27%	0.273	31%	0.305	S	S	.	.			trans	-111.5	141.7	176.3	-179.4	0	0	0	0	108.3	E238 A242 N599	E238-V604 HydrophobicContact CB-CG1 3.92Å; A242-V604 HydrophobicContact CB-CB 4.45Å; A242-V604 HydrophobicContact CB-CG2 4.09Å; N599-V604 HydrophobicContact CB-CG2 3.94Å
605	G	97.3	Very high	96.3	Very high	9 Å²	9	61.4 Å²	61.4	9%	0.093	32%	0.323	C	S	.	.	S	Bend	trans	77.9	-167.7	-161.3	0	0	0	0	0	112.3	R245 F603	R245-G605 VanDerWaalsContact CZ-O 3.29Å; R245-G605 PolarHBondContact NH1-O 2.93Å; R245-G605 PolarHBondContact NH2-O 3.18Å; F603-G605 WeakPolarHBondContact CD1-O 3.34Å
606	W	98.6	Very high	96	Very high	42 Å²	42	64 Å²	64	16%	0.159	34%	0.335	C	S	.	.			trans	-151.2	157.3	-174.4	47.8	83.1	0	0	0	112.5	Y237 E238 H241 T259 R482 E483 G486	Y237-W606 AromaticContact CD1-CH2 3.86Å; Y237-W606 HydrophobicContact CD1-CH2 3.86Å; Y237-W606 HydrophobicContact CD1-CZ3 4.18Å; Y237-W606 AromaticContact CE1-CH2 3.66Å; Y237-W606 HydrophobicContact CE1-CH2 3.66Å; Y237-W606 AromaticContact CE1-CZ3 3.92Å; Y237-W606 HydrophobicContact CE1-CZ3 3.92Å; E238-W606 HydrophobicContact CG-CH2 4Å; E238-W606 HydrophobicContact CG-CZ3 3.89Å; H241-W606 HydrophobicContact CB-CE3 4.46Å; H241-W606 HydrophobicContact CB-CZ3 4.08Å; H241-W606 AromaticContact CD2-CE3 3.73Å; H241-W606 AromaticContact CD2-CZ3 3.74Å; H241-W606 AromaticContact CE1-CE3 3.68Å; H241-W606 AromaticContact CG-CE3 3.75Å; H241-W606 AromaticContact CG-CZ3 3.78Å; H241-W606 AromaticContact ND1-CE3 3.73Å; H241-W606 AromaticContact NE2-CE3 3.69Å; T259-W606 CarbonylContact O-C 3.6Å; T259-W606 WeakPolarHBondContact O-CA 3.36Å; R482-W606 VanDerWaalsContact O-CD1 3.3Å; R482-W606 PolarHBondContact O-NE1 3.47Å; E483-W606 PolarHBondContact O-NE1 3.37Å; G486-W606 VanDerWaalsContact CA-CD2 3.42Å
607	S	97.3	Very high	95.9	Very high	48 Å²	48	60.5 Å²	60.5	34%	0.336	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-94.7	127.5	167.4	-179.3	0	0	0	0	110.7	T259 D609	T259-S607 PolarHBondContact O-N 3.46Å; S607-D609 VanDerWaalsContact C-N 3.3Å; S607-D609 PolarHBondContact O-N 3.16Å
608	T	96.9	Very high	95.8	Very high	56 Å²	56	57.1 Å²	57.1	34%	0.344	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.6	178.4	46	0	0	0	0	114.3	R482	R482-T608 HydrophobicContact CB-CG2 4.31Å; R482-T608 PolarHBondContact NH1-O 3.5Å
609	D	92.9	Very high	95.6	Very high	135 Å²	135	56.8 Å²	56.8	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-17.6	-165.8	-65.7	9.9	0	0	0	112.8	S607	S607-D609 VanDerWaalsContact C-N 3.3Å; S607-D609 PolarHBondContact O-N 3.16Å
610	W	95.8	Very high	95.5	Very high	61 Å²	61	56.4 Å²	56.4	23%	0.231	30%	0.298	C	S	.	.			trans	-77.4	142.1	176.6	-179.8	79.5	0	0	0	111.6	Y255 S257 C261 P263 R482 V488 P612	Y255-W610 WeakPolarHBondContact O-CH2 3.47Å; S257-W610 VanDerWaalsContact CB-CE2 3.45Å; C261-W610 WeakPolarHBondContact O-CZ3 3.29Å; P263-W610 HydrophobicContact CG-CH2 4.25Å; P263-W610 HydrophobicContact CG-CZ3 4.43Å; R482-W610 PolarHBondContact NH1-O 3.32Å; V488-W610 HydrophobicContact CG1-CE3 4.07Å; V488-W610 HydrophobicContact CG1-CZ3 3.77Å; W610-P612 HydrophobicContact CH2-CB 4.47Å; W610-P612 HydrophobicContact CH2-CG 3.87Å; W610-P612 HydrophobicContact CZ2-CG 4.49Å; W610-P612 HydrophobicContact CZ3-CG 4.23Å
611	S	95	Very high	95.4	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.028	29%	0.287	C	S	.	.			trans	-144	161.7	164.3	72.7	0	0	0	0	110.9	Y613 A614	S611-Y613 PolarHBondContact O-N 3.43Å; S611-Y613 WeakPolarHBondContact OG-CD1 3.49Å; S611-Y613 WeakPolarHBondContact OG-CD2 3.45Å; S611-Y613 WeakPolarHBondContact OG-CE1 3.36Å; S611-Y613 VanDerWaalsContact OG-CE2 3.22Å; S611-Y613 WeakPolarHBondContact OG-CE2 3.39Å; S611-A614 PolarHBondContact O-N 2.79Å; S611-A614 PolarHBondContact OG-N 2.93Å
612	P	94.6	Very high	95.3	Very high	22 Å²	22	46.9 Å²	46.9	14%	0.143	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-5.5	-179.7	-23.4	35.8	0	0	0	116	P263 W610	P263-P612 HydrophobicContact CB-CG 4.24Å; P263-P612 HydrophobicContact CG-CG 4.08Å; W610-P612 HydrophobicContact CH2-CB 4.47Å; W610-P612 HydrophobicContact CH2-CG 3.87Å; W610-P612 HydrophobicContact CZ2-CG 4.49Å; W610-P612 HydrophobicContact CZ3-CG 4.23Å
613	Y	93.6	Very high	95.2	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.02	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	0.6	-177.9	55.4	-95.1	0	0	0	113.3	R482 E489 P490 P492 S611 D615 S617 A673 Y684	R482-Y613 PolarHBondContact NH2-OH 3.23Å; E489-Y613 PolarHBondContact OE1-OH 3.13Å; P490-Y613 WeakPolarHBondContact O-CD1 3.22Å; P492-Y613 HydrophobicContact CB-CE2 4.37Å; P492-Y613 HydrophobicContact CG-CE2 4.29Å; S611-Y613 PolarHBondContact O-N 3.43Å; S611-Y613 WeakPolarHBondContact OG-CD1 3.49Å; S611-Y613 WeakPolarHBondContact OG-CD2 3.45Å; S611-Y613 WeakPolarHBondContact OG-CE1 3.36Å; S611-Y613 VanDerWaalsContact OG-CE2 3.22Å; S611-Y613 WeakPolarHBondContact OG-CE2 3.39Å; Y613-D615 PolarHBondContact O-N 2.55Å; Y613-S617 WeakPolarHBondContact O-CB 3.41Å; Y613-S617 PolarHBondContact O-N 2.79Å; Y613-S617 VanDerWaalsContact O-N 3.16Å; Y613-S617 PolarHBondContact O-OG 3.45Å; Y613-A673 HydrophobicContact CE2-CB 3.86Å; Y613-Y684 HydrophobicContact CD1-CE1 4.31Å; Y613-Y684 AromaticContact CD2-CD1 3.92Å; Y613-Y684 HydrophobicContact CD2-CD1 3.92Å; Y613-Y684 AromaticContact CD2-CE1 3.55Å; Y613-Y684 HydrophobicContact CD2-CE1 3.55Å; Y613-Y684 HydrophobicContact CE2-CE1 4.36Å; Y613-Y684 HydrophobicContact CG-CD1 4.14Å; Y613-Y684 AromaticContact CG-CE1 3.52Å; Y613-Y684 HydrophobicContact CG-CE1 3.52Å
614	A	91.8	Very high	94.9	Very high	45 Å²	45	41.5 Å²	41.5	37%	0.372	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-28.5	-171	0	0	0	0	0	114	S611	S611-A614 PolarHBondContact O-N 2.79Å; S611-A614 PolarHBondContact OG-N 2.93Å
615	D	91.3	Very high	94.5	Very high	98 Å²	98	47.8 Å²	47.8	52%	0.524	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-41	177.8	66.9	-44.6	0	0	0	112	Y613 S617 R697	Y613-D615 PolarHBondContact O-N 2.55Å; D615-S617 PolarHBondContact O-N 2.9Å; D615-R697 WeakPolarHBondContact O-CD 3.34Å
616	Q	93.6	Very high	94.1	Very high	54 Å²	54	52.6 Å²	52.6	25%	0.252	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.6	176	-58.6	-51.3	-49.1	0	0	113.2	I694	Q616-I694 HydrophobicContact CB-CG2 3.73Å; Q616-I694 HydrophobicContact CG-CG2 3.92Å
617	S	94.9	Very high	93.7	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.049	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-75.2	140.4	-179.2	-70.1	0	0	0	0	113.7	Y613 D615 F683 R697	Y613-S617 WeakPolarHBondContact O-CB 3.41Å; Y613-S617 PolarHBondContact O-N 2.79Å; Y613-S617 VanDerWaalsContact O-N 3.16Å; Y613-S617 PolarHBondContact O-OG 3.45Å; D615-S617 PolarHBondContact O-N 2.9Å; S617-F683 CarbonylContact C-O 3.37Å; S617-F683 VanDerWaalsContact CA-O 3.3Å; S617-F683 WeakPolarHBondContact CA-O 3.22Å; S617-R697 PolarHBondContact O-NH1 3.23Å
618	I	96.3	Very high	93.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.7	170.1	-59.6	173	0	0	0	108.7	N682 F683 R697 V700 E701 I704 F724	I618-N682 CarbonylContact O-C 3.58Å; I618-N682 WeakPolarHBondContact O-CA 3.47Å; I618-F683 HydrophobicContact CB-CD1 4.46Å; I618-F683 HydrophobicContact CB-CE1 3.94Å; I618-F683 HydrophobicContact CB-CZ 4.16Å; I618-F683 HydrophobicContact CD1-CZ 4.47Å; I618-F683 HydrophobicContact CG2-CE1 4.07Å; I618-F683 HydrophobicContact CG2-CZ 4.4Å; I618-F683 PolarHBondContact N-O 3.07Å; I618-F683 WeakPolarHBondContact O-CD1 3.43Å; I618-F683 PolarHBondContact O-N 2.81Å; I618-R697 HydrophobicContact CD1-CG 4.38Å; I618-R697 HydrophobicContact CG1-CG 3.93Å; I618-V700 HydrophobicContact CD1-CB 3.93Å; I618-V700 HydrophobicContact CD1-CG1 3.64Å; I618-E701 HydrophobicContact CD1-CG 3.64Å; I618-E701 HydrophobicContact CG1-CG 4.27Å; I618-I704 HydrophobicContact CD1-CD1 3.76Å; I618-F724 HydrophobicContact CG2-CB 4.32Å; I618-F724 HydrophobicContact CG2-CD1 4.19Å
619	K	95.7	Very high	93	Very high	81 Å²	81	51.1 Å²	51.1	35%	0.352	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.9	-179.1	-171	160.1	-166.1	158.3	0	111.7	N682 L725	K619-N682 VanDerWaalsContact CB-OD1 3.23Å; K619-N682 WeakPolarHBondContact CB-OD1 3.36Å; K619-N682 WeakPolarHBondContact CD-OD1 3.42Å; K619-N682 WeakPolarHBondContact CG-OD1 3.46Å; K619-L725 HydrophobicContact CB-CB 4.2Å; K619-L725 HydrophobicContact CB-CD2 4.31Å; K619-L725 HydrophobicContact CD-CD2 4.23Å; K619-L725 HydrophobicContact CG-CD1 4.48Å; K619-L725 HydrophobicContact CG-CD2 4.27Å; K619-L725 WeakPolarHBondContact O-CD1 3.49Å; K619-L725 PolarHBondContact O-N 2.91Å
620	V	96	Very high	92.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.7	179.6	-175.7	0	0	0	0	110.5	I622 F643 S680 F681 F683 L722 E723 F724	V620-I622 HydrophobicContact CG1-CD1 4.17Å; V620-I622 HydrophobicContact CG1-CG1 3.8Å; V620-F643 HydrophobicContact CG2-CZ 3.95Å; V620-S680 VanDerWaalsContact O-CA 3.26Å; V620-S680 WeakPolarHBondContact O-CA 3.39Å; V620-S680 WeakPolarHBondContact O-CB 3.28Å; V620-F681 HydrophobicContact CB-CD2 4.08Å; V620-F681 HydrophobicContact CB-CE1 4.4Å; V620-F681 HydrophobicContact CB-CE2 3.75Å; V620-F681 HydrophobicContact CB-CZ 3.93Å; V620-F681 HydrophobicContact CG1-CE1 4.26Å; V620-F681 HydrophobicContact CG1-CE2 4.13Å; V620-F681 HydrophobicContact CG1-CZ 3.82Å; V620-F681 HydrophobicContact CG2-CD2 4.19Å; V620-F681 HydrophobicContact CG2-CE2 3.71Å; V620-F681 HydrophobicContact CG2-CZ 4.24Å; V620-F681 PolarHBondContact N-O 3.08Å; V620-F681 PolarHBondContact O-N 3.45Å; V620-F683 HydrophobicContact CG2-CD1 3.6Å; V620-F683 HydrophobicContact CG2-CE1 3.41Å; V620-F683 VanDerWaalsContact CG2-CE1 3.41Å; V620-L722 HydrophobicContact CG1-CD1 3.77Å; V620-E723 CarbonylContact C-O 3.56Å; V620-E723 VanDerWaalsContact CA-O 3.31Å; V620-E723 WeakPolarHBondContact CA-O 3.36Å; V620-F724 HydrophobicContact CG2-CD1 3.99Å; V620-F724 HydrophobicContact CG2-CE1 4.06Å
621	R	95.1	Very high	92.7	Very high	107 Å²	107	58.9 Å²	58.9	40%	0.404	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.3	162.1	-54.7	-179.8	-172.5	135.3	-9.8	110.3	E723 L725	R621-E723 HydrophobicContact CB-CB 4.23Å; R621-E723 WeakPolarHBondContact CD-OE2 3.47Å; R621-E723 IonicContact CZ-OE2 3.36Å; R621-E723 PolarHBondContact N-O 3.44Å; R621-E723 IonicContact NE-OE2 2.92Å; R621-E723 IonicContact NH1-OE2 2.95Å; R621-E723 PolarHBondContact NH1-OE2 2.9Å; R621-E723 PolarHBondContact O-N 2.9Å; R621-L725 HydrophobicContact CG-CD1 3.93Å
622	I	93.4	Very high	92.4	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.031	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.5	-177.4	-46.6	-168.1	0	0	0	110.2	V620 L624 W635 I679 F681 L717 S721 L722	V620-I622 HydrophobicContact CG1-CD1 4.17Å; V620-I622 HydrophobicContact CG1-CG1 3.8Å; I622-L624 HydrophobicContact CG2-CD2 3.55Å; I622-L624 HydrophobicContact CG2-CG 3.92Å; I622-W635 HydrophobicContact CD1-CD2 4.28Å; I622-W635 HydrophobicContact CD1-CE3 3.96Å; I622-W635 HydrophobicContact CD1-CH2 3.36Å; I622-W635 HydrophobicContact CD1-CZ2 3.7Å; I622-W635 HydrophobicContact CD1-CZ3 3.5Å; I622-W635 VanDerWaalsContact CD1-CZ3 3.5Å; I622-W635 HydrophobicContact CG2-CE3 4.44Å; I622-W635 HydrophobicContact CG2-CZ3 4.4Å; I622-I679 HydrophobicContact CB-CB 4Å; I622-I679 HydrophobicContact CB-CG2 3.64Å; I622-I679 HydrophobicContact CD1-CG2 3.85Å; I622-I679 HydrophobicContact CG1-CG2 3.88Å; I622-I679 HydrophobicContact CG2-CG2 4.39Å; I622-I679 PolarHBondContact N-O 3.43Å; I622-F681 HydrophobicContact CD1-CE1 3.9Å; I622-F681 HydrophobicContact CD1-CZ 4.14Å; I622-F681 HydrophobicContact CG1-CE1 4.46Å; I622-L717 HydrophobicContact CG2-CD1 3.58Å; I622-S721 WeakPolarHBondContact CA-O 3.32Å; I622-L722 HydrophobicContact CD1-CD1 3.96Å; I622-L722 HydrophobicContact CG1-CD1 3.79Å
623	S	93.3	Very high	92.4	Very high	37 Å²	37	61.9 Å²	61.9	26%	0.259	33%	0.332	S	S	.	.			trans	-110.6	53	-173.2	-66.4	0	0	0	0	112.4	K625 S626 A627 S721	S623-K625 PolarHBondContact O-N 3.26Å; S623-S626 WeakPolarHBondContact O-CA 3.46Å; S623-S626 WeakPolarHBondContact O-CB 3.14Å; S623-S626 PolarHBondContact O-N 3.26Å; S623-A627 PolarHBondContact O-N 2.8Å; S623-S721 PolarHBondContact N-O 3.47Å
624	L	91.5	Very high	92.3	Very high	8 Å²	8	69.1 Å²	69.1	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-47.1	-50.9	-172.5	-62.4	-173.4	0	0	0	113.9	I622 S626 A627 L628 A632 Y633 W635 I679 L717	I622-L624 HydrophobicContact CG2-CD2 3.55Å; I622-L624 HydrophobicContact CG2-CG 3.92Å; L624-S626 PolarHBondContact O-N 2.71Å; L624-A627 PolarHBondContact O-N 3.02Å; L624-A627 VanDerWaalsContact O-N 3.11Å; L624-L628 PolarHBondContact O-N 3.12Å; L624-A632 HydrophobicContact CB-CB 4.18Å; L624-Y633 HydrophobicContact CD1-CD2 4.09Å; L624-Y633 HydrophobicContact CD1-CE2 3.9Å; L624-Y633 WeakPolarHBondContact CD1-O 3.3Å; L624-Y633 HydrophobicContact CD2-CE1 4.17Å; L624-Y633 HydrophobicContact CD2-CE2 4.07Å; L624-Y633 WeakPolarHBondContact CD2-OH 3.23Å; L624-W635 HydrophobicContact CD1-CB 4.14Å; L624-W635 HydrophobicContact CD1-CE3 4.36Å; L624-I679 HydrophobicContact CD1-CD1 3.63Å; L624-I679 HydrophobicContact CG-CD1 3.81Å; L624-L717 HydrophobicContact CD2-CD1 4.09Å; L624-L717 HydrophobicContact CD2-CD2 3.94Å
625	K	90.3	Very high	92.3	Very high	178 Å²	178	68.7 Å²	68.7	77%	0.774	36%	0.355	S	S	*	.	H	α-helix	trans	-63.6	-26.9	179.4	-70.2	-169.9	176.1	-174.6	0	113.6	S623 G629 A632	S623-K625 PolarHBondContact O-N 3.26Å; K625-G629 WeakPolarHBondContact O-CA 2.94Å; K625-G629 PolarHBondContact O-N 3.03Å; K625-G629 VanDerWaalsContact O-N 3.13Å; K625-A632 HydrophobicContact CG-CB 4.09Å
626	S	89.6	Confident	92.3	Very high	109 Å²	109	67 Å²	67	76%	0.762	35%	0.346	S	S	*	.	H	α-helix	trans	-80	-22.6	176.2	-165.7	0	0	0	0	113.2	S623 L624	S623-S626 WeakPolarHBondContact O-CA 3.46Å; S623-S626 WeakPolarHBondContact O-CB 3.14Å; S623-S626 PolarHBondContact O-N 3.26Å; L624-S626 PolarHBondContact O-N 2.71Å
627	A	88.8	Confident	92.1	Very high	38 Å²	38	70.5 Å²	70.5	31%	0.314	37%	0.367	S	S	.	.	H	α-helix	trans	-92.1	-38.1	177.9	0	0	0	0	0	112.7	S623 L624 L717	S623-A627 PolarHBondContact O-N 2.8Å; L624-A627 PolarHBondContact O-N 3.02Å; L624-A627 VanDerWaalsContact O-N 3.11Å; A627-L717 HydrophobicContact CB-CD2 3.6Å
628	L	89.1	Confident	92	Very high	39 Å²	39	75.9 Å²	75.9	20%	0.204	40%	0.395	C	S	.	.	H	α-helix	trans	-117.1	-10.6	-166.7	-58.1	175.4	0	0	0	114	L624 D630 K631 A632 Y633 R716	L624-L628 PolarHBondContact O-N 3.12Å; L628-D630 PolarHBondContact O-N 2.67Å; L628-K631 WeakPolarHBondContact O-CB 3.11Å; L628-K631 PolarHBondContact O-N 2.64Å; L628-A632 HydrophobicContact CB-CB 4.12Å; L628-Y633 HydrophobicContact CD1-CD1 3.71Å; L628-Y633 HydrophobicContact CD1-CE1 3.53Å; L628-R716 HydrophobicContact CD2-CB 4.23Å
629	G	91.3	Very high	92	Very high	38 Å²	38	78 Å²	78	39%	0.392	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	55.4	-130.1	-176.7	0	0	0	0	0	111.9	K625 K631 A632	K625-G629 WeakPolarHBondContact O-CA 2.94Å; K625-G629 PolarHBondContact O-N 3.03Å; K625-G629 VanDerWaalsContact O-N 3.13Å; G629-K631 PolarHBondContact O-N 3.01Å; G629-K631 VanDerWaalsContact O-N 3.13Å; G629-A632 VanDerWaalsContact O-CB 3.32Å; G629-A632 WeakPolarHBondContact O-CB 3.4Å; G629-A632 PolarHBondContact O-N 2.78Å; G629-A632 VanDerWaalsContact O-N 3.1Å
630	D	90.7	Very high	92	Very high	178 Å²	178	74.9 Å²	74.9	95%	0.952	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-67.5	-6.9	177.8	-50.3	-48.7	0	0	0	114	L628	L628-D630 PolarHBondContact O-N 2.67Å
631	K	90.4	Very high	92	Very high	181 Å²	181	81.2 Å²	81.2	79%	0.787	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-98.6	10.1	173.9	-58.7	-178.4	-179	177	0	113	L628 G629 Y633	L628-K631 WeakPolarHBondContact O-CB 3.11Å; L628-K631 PolarHBondContact O-N 2.64Å; G629-K631 PolarHBondContact O-N 3.01Å; G629-K631 VanDerWaalsContact O-N 3.13Å; K631-Y633 PolarHBondContact O-N 3.36Å
632	A	90.4	Very high	92.1	Very high	31 Å²	31	79.3 Å²	79.3	26%	0.256	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-63.4	126.4	172.7	0	0	0	0	0	110.4	L624 K625 L628 G629	L624-A632 HydrophobicContact CB-CB 4.18Å; K625-A632 HydrophobicContact CG-CB 4.09Å; L628-A632 HydrophobicContact CB-CB 4.12Å; G629-A632 VanDerWaalsContact O-CB 3.32Å; G629-A632 WeakPolarHBondContact O-CB 3.4Å; G629-A632 PolarHBondContact O-N 2.78Å; G629-A632 VanDerWaalsContact O-N 3.1Å
633	Y	92.9	Very high	92.3	Very high	58 Å²	58	79 Å²	79	23%	0.227	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-77.2	168.3	169.3	54.8	-88.2	0	0	0	110.7	L624 L628 K631 W635 E639 F715	L624-Y633 HydrophobicContact CD1-CD2 4.09Å; L624-Y633 HydrophobicContact CD1-CE2 3.9Å; L624-Y633 WeakPolarHBondContact CD1-O 3.3Å; L624-Y633 HydrophobicContact CD2-CE1 4.17Å; L624-Y633 HydrophobicContact CD2-CE2 4.07Å; L624-Y633 WeakPolarHBondContact CD2-OH 3.23Å; L628-Y633 HydrophobicContact CD1-CD1 3.71Å; L628-Y633 HydrophobicContact CD1-CE1 3.53Å; K631-Y633 PolarHBondContact O-N 3.36Å; Y633-W635 HydrophobicContact CE2-CE3 4.14Å; Y633-E639 HydrophobicContact CD2-CG 4.09Å; Y633-E639 HydrophobicContact CE2-CG 3.95Å; Y633-F715 WeakPolarHBondContact OH-CB 3.47Å; Y633-F715 WeakPolarHBondContact OH-CD1 3.46Å; Y633-F715 PolarHBondContact OH-O 3.03Å; Y633-F715 VanDerWaalsContact OH-O 3.09Å
634	E	92.3	Very high	92.5	Very high	157 Å²	157	79.5 Å²	79.5	73%	0.734	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-87.2	132.3	174.5	-178.6	167.4	-148.4	0	0	110.2	N636	E634-N636 PolarHBondContact O-N 2.82Å
635	W	92.5	Very high	92.8	Very high	37 Å²	37	80.7 Å²	80.7	14%	0.14	42%	0.418	C	S	.	.			trans	-84.6	102.1	176.4	-169.8	-79.4	0	0	0	110	I622 L624 Y633 E639 F643 I679 F681 F715	I622-W635 HydrophobicContact CD1-CD2 4.28Å; I622-W635 HydrophobicContact CD1-CE3 3.96Å; I622-W635 HydrophobicContact CD1-CH2 3.36Å; I622-W635 HydrophobicContact CD1-CZ2 3.7Å; I622-W635 HydrophobicContact CD1-CZ3 3.5Å; I622-W635 VanDerWaalsContact CD1-CZ3 3.5Å; I622-W635 HydrophobicContact CG2-CE3 4.44Å; I622-W635 HydrophobicContact CG2-CZ3 4.4Å; L624-W635 HydrophobicContact CD1-CB 4.14Å; L624-W635 HydrophobicContact CD1-CE3 4.36Å; Y633-W635 HydrophobicContact CE2-CE3 4.14Å; W635-E639 HydrophobicContact CD2-CB 3.82Å; W635-E639 HydrophobicContact CE3-CB 3.88Å; W635-E639 HydrophobicContact CE3-CG 4.49Å; W635-E639 HydrophobicContact CG-CB 4.33Å; W635-E639 HydrophobicContact CH2-CB 4.24Å; W635-E639 HydrophobicContact CZ2-CB 4.19Å; W635-E639 HydrophobicContact CZ3-CB 4.09Å; W635-F643 HydrophobicContact CH2-CB 4.07Å; W635-F643 HydrophobicContact CH2-CD2 4.39Å; W635-F643 HydrophobicContact CZ2-CB 4.03Å; W635-F643 HydrophobicContact CZ2-CG 4.48Å; W635-I679 HydrophobicContact CB-CD1 3.67Å; W635-I679 HydrophobicContact CB-CG1 4.05Å; W635-I679 HydrophobicContact CB-CG2 4.14Å; W635-I679 HydrophobicContact CD2-CG2 3.73Å; W635-I679 HydrophobicContact CE3-CG2 4.31Å; W635-I679 HydrophobicContact CG-CD1 4.32Å; W635-I679 HydrophobicContact CG-CG1 4.41Å; W635-I679 HydrophobicContact CG-CG2 3.61Å; W635-F681 HydrophobicContact CZ2-CE1 4.27Å; W635-F681 HydrophobicContact CZ2-CZ 4.41Å; W635-F715 HydrophobicContact CH2-CD1 4.1Å; W635-F715 AromaticContact CH2-CE1 3.74Å; W635-F715 HydrophobicContact CH2-CE1 3.74Å; W635-F715 HydrophobicContact CH2-CZ 4.06Å; W635-F715 AromaticContact CZ3-CD1 3.76Å; W635-F715 HydrophobicContact CZ3-CD1 3.76Å; W635-F715 AromaticContact CZ3-CE1 3.83Å; W635-F715 HydrophobicContact CZ3-CE1 3.83Å; W635-F715 HydrophobicContact CZ3-CG 4.41Å
636	N	90.8	Very high	93.2	Very high	61 Å²	61	73 Å²	73	33%	0.326	39%	0.386	S	S	.	.			trans	-120.4	-175.9	177	63.6	57.7	0	0	0	110.9	E634 N638 E639 M640	E634-N636 PolarHBondContact O-N 2.82Å; N636-N638 PolarHBondContact O-N 3.43Å; N636-N638 VanDerWaalsContact O-N 3.12Å; N636-N638 WeakPolarHBondContact OD1-CB 3.48Å; N636-N638 PolarHBondContact OD1-N 2.76Å; N636-N638 PolarHBondContact OD1-ND2 2.66Å; N636-E639 WeakPolarHBondContact O-CB 3.13Å; N636-E639 PolarHBondContact O-N 2.61Å; N636-M640 PolarHBondContact O-N 3.37Å; N636-M640 VanDerWaalsContact O-N 3.13Å
637	D	88.3	Confident	93.6	Very high	129 Å²	129	67.8 Å²	67.8	69%	0.69	35%	0.35	S	S	*	.	H	α-helix	trans	-62.1	-23.5	-172.4	-51.9	-47	0	0	0	113.9	M640 Y641	D637-M640 PolarHBondContact O-N 2.9Å; D637-Y641 WeakPolarHBondContact O-CB 3.31Å; D637-Y641 PolarHBondContact O-N 3.38Å
638	N	94.6	Very high	94	Very high	120 Å²	120	66.2 Å²	66.2	64%	0.642	34%	0.336	S	S	*	.	H	α-helix	trans	-68.9	-38.8	173.7	-55.2	-80.9	0	0	0	111.6	N636 M640 Y641 L642	N636-N638 PolarHBondContact O-N 3.43Å; N636-N638 VanDerWaalsContact O-N 3.12Å; N636-N638 WeakPolarHBondContact OD1-CB 3.48Å; N636-N638 PolarHBondContact OD1-N 2.76Å; N636-N638 PolarHBondContact OD1-ND2 2.66Å; N638-M640 VanDerWaalsContact C-N 3.34Å; N638-Y641 PolarHBondContact O-N 2.88Å; N638-L642 WeakPolarHBondContact O-CB 3.35Å; N638-L642 PolarHBondContact O-N 3.36Å
639	E	95.2	Very high	94.4	Very high	45 Å²	45	68.5 Å²	68.5	21%	0.21	34%	0.343	C	S	.	.	H	α-helix	trans	-69.6	-34.5	174.1	-58.4	-61.7	151.2	0	0	110.7	Y633 W635 N636 L642 F643 F715	Y633-E639 HydrophobicContact CD2-CG 4.09Å; Y633-E639 HydrophobicContact CE2-CG 3.95Å; W635-E639 HydrophobicContact CD2-CB 3.82Å; W635-E639 HydrophobicContact CE3-CB 3.88Å; W635-E639 HydrophobicContact CE3-CG 4.49Å; W635-E639 HydrophobicContact CG-CB 4.33Å; W635-E639 HydrophobicContact CH2-CB 4.24Å; W635-E639 HydrophobicContact CZ2-CB 4.19Å; W635-E639 HydrophobicContact CZ3-CB 4.09Å; N636-E639 WeakPolarHBondContact O-CB 3.13Å; N636-E639 PolarHBondContact O-N 2.61Å; E639-L642 PolarHBondContact O-N 2.86Å; E639-F643 WeakPolarHBondContact O-CB 3.46Å; E639-F643 PolarHBondContact O-N 2.99Å; E639-F715 WeakPolarHBondContact OE2-CE1 3.48Å
640	M	95.1	Very high	94.7	Very high	16 Å²	16	66.8 Å²	66.8	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-43.1	173	-172.8	59.9	79.8	0	0	112.5	N636 D637 N638 F643 R644 V672 L675 F681	N636-M640 PolarHBondContact O-N 3.37Å; N636-M640 VanDerWaalsContact O-N 3.13Å; D637-M640 PolarHBondContact O-N 2.9Å; N638-M640 VanDerWaalsContact C-N 3.34Å; M640-F643 PolarHBondContact O-N 2.93Å; M640-F643 HydrophobicContact SD-CD1 4.46Å; M640-R644 WeakPolarHBondContact O-CG 3.47Å; M640-R644 PolarHBondContact O-N 2.91Å; M640-V672 HydrophobicContact CE-CG1 4.01Å; M640-V672 HydrophobicContact SD-CG1 4.16Å; M640-V672 HydrophobicContact SD-CG2 4.06Å; M640-L675 HydrophobicContact CE-CD1 3.87Å; M640-L675 HydrophobicContact CE-CD2 4.26Å; M640-F681 HydrophobicContact CE-CD1 3.84Å; M640-F681 HydrophobicContact CE-CE1 3.86Å; M640-F681 HydrophobicContact CE-CG 4.17Å; M640-F681 HydrophobicContact CE-CZ 4.21Å; M640-F681 HydrophobicContact SD-CZ 4.35Å
641	Y	96	Very high	95	Very high	132 Å²	132	58.3 Å²	58.3	52%	0.518	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-44.5	171.9	169.2	-88.6	0	0	0	111.4	D637 N638 F643 R644 S645 E667	D637-Y641 WeakPolarHBondContact O-CB 3.31Å; D637-Y641 PolarHBondContact O-N 3.38Å; N638-Y641 PolarHBondContact O-N 2.88Å; Y641-F643 VanDerWaalsContact C-N 3.3Å; Y641-F643 PolarHBondContact O-N 3.11Å; Y641-R644 PolarHBondContact O-N 2.83Å; Y641-S645 VanDerWaalsContact O-CB 3.28Å; Y641-S645 WeakPolarHBondContact O-CB 3.43Å; Y641-S645 PolarHBondContact O-N 3.46Å; Y641-S645 PolarHBondContact O-OG 3.2Å; Y641-E667 HydrophobicContact CD2-CG 4.07Å; Y641-E667 WeakPolarHBondContact CD2-OE2 3.48Å; Y641-E667 HydrophobicContact CE2-CG 3.76Å
642	L	97.4	Very high	95.4	Very high	68 Å²	68	54.8 Å²	54.8	36%	0.356	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-36.1	175.6	-177.6	59.7	0	0	0	111.7	N638 E639 S646 F715	N638-L642 WeakPolarHBondContact O-CB 3.35Å; N638-L642 PolarHBondContact O-N 3.36Å; E639-L642 PolarHBondContact O-N 2.86Å; L642-S646 WeakPolarHBondContact O-CB 3.38Å; L642-S646 PolarHBondContact O-N 3.1Å; L642-S646 PolarHBondContact O-OG 2.78Å; L642-F715 HydrophobicContact CB-CE1 4.3Å; L642-F715 HydrophobicContact CB-CZ 4.16Å; L642-F715 HydrophobicContact CD2-CE1 3.87Å; L642-F715 HydrophobicContact CD2-CZ 4.16Å; L642-F715 HydrophobicContact CG-CE1 4.04Å; L642-F715 HydrophobicContact CG-CZ 3.84Å
643	F	97.6	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-50.5	177.1	176.1	-88.8	0	0	0	110.9	V620 W635 E639 M640 Y641 S645 S646 V647 F681 F683 F715 F724	V620-F643 HydrophobicContact CG2-CZ 3.95Å; W635-F643 HydrophobicContact CH2-CB 4.07Å; W635-F643 HydrophobicContact CH2-CD2 4.39Å; W635-F643 HydrophobicContact CZ2-CB 4.03Å; W635-F643 HydrophobicContact CZ2-CG 4.48Å; E639-F643 WeakPolarHBondContact O-CB 3.46Å; E639-F643 PolarHBondContact O-N 2.99Å; M640-F643 PolarHBondContact O-N 2.93Å; M640-F643 HydrophobicContact SD-CD1 4.46Å; Y641-F643 VanDerWaalsContact C-N 3.3Å; Y641-F643 PolarHBondContact O-N 3.11Å; F643-S645 VanDerWaalsContact C-N 3.33Å; F643-S645 PolarHBondContact O-N 2.95Å; F643-S646 WeakPolarHBondContact O-CB 3.37Å; F643-S646 PolarHBondContact O-N 2.94Å; F643-V647 HydrophobicContact CD1-CG2 4.26Å; F643-V647 HydrophobicContact CE1-CG2 3.67Å; F643-V647 HydrophobicContact CE2-CG2 4.36Å; F643-V647 HydrophobicContact CZ-CG2 3.73Å; F643-V647 PolarHBondContact O-N 3.18Å; F643-F681 AromaticContact CD1-CE2 3.93Å; F643-F681 HydrophobicContact CD1-CE2 3.93Å; F643-F681 AromaticContact CD1-CZ 3.99Å; F643-F681 HydrophobicContact CD1-CZ 3.99Å; F643-F681 HydrophobicContact CD2-CZ 4.29Å; F643-F681 AromaticContact CE1-CE2 3.52Å; F643-F681 HydrophobicContact CE1-CE2 3.52Å; F643-F681 AromaticContact CE1-CZ 3.92Å; F643-F681 HydrophobicContact CE1-CZ 3.92Å; F643-F681 HydrophobicContact CE2-CE2 4.44Å; F643-F681 HydrophobicContact CE2-CZ 4.2Å; F643-F681 HydrophobicContact CG-CZ 4.19Å; F643-F681 AromaticContact CZ-CE2 3.81Å; F643-F681 HydrophobicContact CZ-CE2 3.81Å; F643-F681 HydrophobicContact CZ-CZ 4.03Å; F643-F683 HydrophobicContact CE1-CD1 4.2Å; F643-F683 HydrophobicContact CE1-CE1 4.34Å; F643-F683 HydrophobicContact CE1-CG 4.41Å; F643-F683 HydrophobicContact CZ-CD1 4.25Å; F643-F683 AromaticContact CZ-CE1 4Å; F643-F683 HydrophobicContact CZ-CE1 4Å; F643-F683 HydrophobicContact CZ-CZ 4.37Å; F643-F715 HydrophobicContact CB-CE2 4.29Å; F643-F715 HydrophobicContact CB-CZ 3.82Å; F643-F715 HydrophobicContact CD2-CE2 4.17Å; F643-F715 HydrophobicContact CD2-CZ 4.48Å; F643-F724 HydrophobicContact CE2-CE1 4.2Å; F643-F724 HydrophobicContact CE2-CZ 4.07Å; F643-F724 AromaticContact CZ-CE1 3.99Å; F643-F724 HydrophobicContact CZ-CE1 3.99Å; F643-F724 HydrophobicContact CZ-CZ 4.31Å
644	R	97.7	Very high	95.9	Very high	47 Å²	47	51.4 Å²	51.4	18%	0.177	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-43.7	176.3	-70.4	-170.7	-67.9	140.7	-2.4	111.5	M640 Y641 S646 V647 A648 E667 V670 V672	M640-R644 WeakPolarHBondContact O-CG 3.47Å; M640-R644 PolarHBondContact O-N 2.91Å; Y641-R644 PolarHBondContact O-N 2.83Å; R644-S646 VanDerWaalsContact C-N 3.29Å; R644-S646 PolarHBondContact O-N 3.27Å; R644-V647 PolarHBondContact O-N 3.44Å; R644-A648 WeakPolarHBondContact O-CB 3.08Å; R644-A648 PolarHBondContact O-N 3.33Å; R644-E667 HydrophobicContact CB-CB 4.1Å; R644-E667 IonicContact CZ-OE2 3.65Å; R644-E667 IonicContact NE-OE2 2.73Å; R644-E667 PolarHBondContact NH1-O 3.33Å; R644-E667 VanDerWaalsContact NH1-O 3.1Å; R644-E667 IonicContact NH1-OE1 3.68Å; R644-E667 PolarHBondContact NH1-OE1 3.15Å; R644-E667 IonicContact NH1-OE2 3.47Å; R644-E667 PolarHBondContact NH1-OE2 2.86Å; R644-E667 IonicContact NH2-OE1 3.82Å; R644-E667 IonicContact NH2-OE2 3.12Å; R644-E667 PolarHBondContact NH2-OE2 3.31Å; R644-V670 HydrophobicContact CB-CB 3.99Å; R644-V670 HydrophobicContact CB-CG1 4.29Å; R644-V670 WeakPolarHBondContact CD-O 3.42Å; R644-V670 HydrophobicContact CG-CB 3.98Å; R644-V670 HydrophobicContact CG-CG1 3.95Å; R644-V672 HydrophobicContact CG-CG2 4.01Å
645	S	97.9	Very high	96.1	Very high	33 Å²	33	44.6 Å²	44.6	23%	0.231	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-37.1	172.5	-61.7	0	0	0	0	113.2	Y641 F643 Y649	Y641-S645 VanDerWaalsContact O-CB 3.28Å; Y641-S645 WeakPolarHBondContact O-CB 3.43Å; Y641-S645 PolarHBondContact O-N 3.46Å; Y641-S645 PolarHBondContact O-OG 3.2Å; F643-S645 VanDerWaalsContact C-N 3.33Å; F643-S645 PolarHBondContact O-N 2.95Å; S645-Y649 WeakPolarHBondContact O-CB 3.44Å; S645-Y649 PolarHBondContact O-N 2.92Å
646	S	97.9	Very high	96.2	Very high	16 Å²	16	47.5 Å²	47.5	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-73.5	-37.8	179.2	-60.5	0	0	0	0	112.5	L642 F643 R644 A650	L642-S646 WeakPolarHBondContact O-CB 3.38Å; L642-S646 PolarHBondContact O-N 3.1Å; L642-S646 PolarHBondContact O-OG 2.78Å; F643-S646 WeakPolarHBondContact O-CB 3.37Å; F643-S646 PolarHBondContact O-N 2.94Å; R644-S646 VanDerWaalsContact C-N 3.29Å; R644-S646 PolarHBondContact O-N 3.27Å; S646-A650 PolarHBondContact O-N 3.22Å; S646-A650 VanDerWaalsContact O-N 3.09Å
647	V	97.8	Very high	96.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-47.7	170.6	172	0	0	0	0	110.1	F643 R644 Y649 A650 M651 V670 F683 V685	F643-V647 HydrophobicContact CD1-CG2 4.26Å; F643-V647 HydrophobicContact CE1-CG2 3.67Å; F643-V647 HydrophobicContact CE2-CG2 4.36Å; F643-V647 HydrophobicContact CZ-CG2 3.73Å; F643-V647 PolarHBondContact O-N 3.18Å; R644-V647 PolarHBondContact O-N 3.44Å; V647-Y649 VanDerWaalsContact C-N 3.31Å; V647-Y649 PolarHBondContact O-N 3.4Å; V647-A650 WeakPolarHBondContact O-CA 3.06Å; V647-A650 WeakPolarHBondContact O-CB 3.31Å; V647-A650 PolarHBondContact O-N 2.85Å; V647-M651 HydrophobicContact CG1-CG 4.4Å; V647-M651 WeakPolarHBondContact O-CG 3.33Å; V647-M651 PolarHBondContact O-N 3.35Å; V647-V670 HydrophobicContact CB-CG1 4.09Å; V647-V670 HydrophobicContact CB-CG2 4.1Å; V647-V670 HydrophobicContact CG1-CG1 3.87Å; V647-V670 HydrophobicContact CG1-CG2 3.83Å; V647-F683 HydrophobicContact CG1-CD2 4.36Å; V647-F683 HydrophobicContact CG1-CE2 3.76Å; V647-F683 HydrophobicContact CG2-CE2 4.09Å; V647-F683 HydrophobicContact CG2-CZ 4.25Å; V647-V685 HydrophobicContact CG1-CG2 4.09Å
648	A	97.7	Very high	96.8	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-42.7	177.1	0	0	0	0	0	112.2	R644 A650 M651 R652 F665 G666 V670	R644-A648 WeakPolarHBondContact O-CB 3.08Å; R644-A648 PolarHBondContact O-N 3.33Å; A648-A650 PolarHBondContact O-N 3.4Å; A648-M651 PolarHBondContact O-N 3.14Å; A648-R652 WeakPolarHBondContact O-CG 3.47Å; A648-R652 PolarHBondContact O-N 3.01Å; A648-F665 HydrophobicContact CB-CB 4.39Å; A648-G666 WeakPolarHBondContact CB-O 3.32Å; A648-V670 HydrophobicContact CB-CG2 4.21Å
649	Y	98	Very high	96.7	Very high	88 Å²	88	46 Å²	46	35%	0.345	21%	0.213	S	C	.	.	H	α-helix	trans	-59.4	-42.7	172	168.9	-96.7	0	0	0	112.7	S645 V647 R652 T653 R710	S645-Y649 WeakPolarHBondContact O-CB 3.44Å; S645-Y649 PolarHBondContact O-N 2.92Å; V647-Y649 VanDerWaalsContact C-N 3.31Å; V647-Y649 PolarHBondContact O-N 3.4Å; Y649-R652 PolarHBondContact O-N 3.45Å; Y649-T653 WeakPolarHBondContact CE2-OG1 3.21Å; Y649-T653 WeakPolarHBondContact O-CB 3.16Å; Y649-T653 PolarHBondContact O-N 2.96Å; Y649-T653 PolarHBondContact O-OG1 3.31Å; Y649-T653 PolarHBondContact OH-OG1 3.32Å; Y649-R710 PolarHBondContact OH-NH1 3.08Å
650	A	97.3	Very high	96.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-43.5	176.6	0	0	0	0	0	111.9	S646 V647 A648 T653 Y654 S707 I711	S646-A650 PolarHBondContact O-N 3.22Å; S646-A650 VanDerWaalsContact O-N 3.09Å; V647-A650 WeakPolarHBondContact O-CA 3.06Å; V647-A650 WeakPolarHBondContact O-CB 3.31Å; V647-A650 PolarHBondContact O-N 2.85Å; A648-A650 PolarHBondContact O-N 3.4Å; A650-T653 PolarHBondContact O-N 3.33Å; A650-Y654 PolarHBondContact O-N 3.1Å; A650-S707 WeakPolarHBondContact CA-OG 3.39Å; A650-S707 VanDerWaalsContact CB-CB 3.48Å; A650-S707 WeakPolarHBondContact CB-OG 3.16Å; A650-I711 HydrophobicContact CB-CD1 4.36Å
651	M	98	Very high	96.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-47.3	176.1	-61.9	-55.9	-66.1	0	0	111.9	V647 A648 T653 Y654 F655 F665 V685 I695 V700 A703	V647-M651 HydrophobicContact CG1-CG 4.4Å; V647-M651 WeakPolarHBondContact O-CG 3.33Å; V647-M651 PolarHBondContact O-N 3.35Å; A648-M651 PolarHBondContact O-N 3.14Å; M651-T653 VanDerWaalsContact C-N 3.25Å; M651-T653 PolarHBondContact O-N 2.85Å; M651-Y654 PolarHBondContact O-N 3.46Å; M651-F655 HydrophobicContact CE-CE2 3.96Å; M651-F655 WeakPolarHBondContact O-CD2 3.39Å; M651-F655 PolarHBondContact O-N 2.77Å; M651-F665 HydrophobicContact CB-CB 4.29Å; M651-F665 HydrophobicContact CB-CD1 4.48Å; M651-F665 HydrophobicContact CB-CD2 3.53Å; M651-F665 HydrophobicContact CB-CE2 3.89Å; M651-F665 HydrophobicContact CB-CG 3.86Å; M651-F665 HydrophobicContact CB-CZ 4.5Å; M651-F665 HydrophobicContact CE-CZ 4.49Å; M651-V685 HydrophobicContact CE-CG1 4.33Å; M651-V685 HydrophobicContact CG-CG1 4.23Å; M651-V685 HydrophobicContact CG-CG2 4.23Å; M651-V685 HydrophobicContact SD-CG2 4.36Å; M651-I695 HydrophobicContact CE-CB 4.37Å; M651-I695 HydrophobicContact CE-CG2 3.71Å; M651-V700 HydrophobicContact CE-CG2 3.89Å; M651-V700 HydrophobicContact SD-CB 4.31Å; M651-V700 HydrophobicContact SD-CG1 4.05Å; M651-V700 HydrophobicContact SD-CG2 4.24Å; M651-A703 HydrophobicContact SD-CB 3.53Å; M651-A703 VanDerWaalsContact SD-CB 3.53Å
652	R	97.6	Very high	96.7	Very high	107 Å²	107	54.4 Å²	54.4	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-56.7	-40.2	174.4	-69.4	-174.7	-172.1	-152.4	1.6	112.1	A648 Y649 L656 L664 F665	A648-R652 WeakPolarHBondContact O-CG 3.47Å; A648-R652 PolarHBondContact O-N 3.01Å; Y649-R652 PolarHBondContact O-N 3.45Å; R652-L656 VanDerWaalsContact O-CB 3.31Å; R652-L656 WeakPolarHBondContact O-CB 3.27Å; R652-L656 PolarHBondContact O-N 2.76Å; R652-L656 VanDerWaalsContact O-N 3.14Å; R652-L664 PolarHBondContact NH2-O 3.32Å; R652-F665 HydrophobicContact CG-CB 4.21Å; R652-F665 HydrophobicContact CG-CD2 4.33Å; R652-F665 PolarHBondContact NE-O 3.24Å; R652-F665 PolarHBondContact NH2-O 3.02Å
653	T	96.6	Very high	96.5	Very high	14 Å²	14	53.3 Å²	53.3	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-47.1	-179.7	-54.3	0	0	0	0	111.2	Y649 A650 M651 L656 E657	Y649-T653 WeakPolarHBondContact CE2-OG1 3.21Å; Y649-T653 WeakPolarHBondContact O-CB 3.16Å; Y649-T653 PolarHBondContact O-N 2.96Å; Y649-T653 PolarHBondContact O-OG1 3.31Å; Y649-T653 PolarHBondContact OH-OG1 3.32Å; A650-T653 PolarHBondContact O-N 3.33Å; M651-T653 VanDerWaalsContact C-N 3.25Å; M651-T653 PolarHBondContact O-N 2.85Å; T653-L656 PolarHBondContact O-N 2.74Å; T653-E657 HydrophobicContact CG2-CG 4.33Å; T653-E657 WeakPolarHBondContact O-CB 3.22Å; T653-E657 WeakPolarHBondContact O-CG 3.23Å; T653-E657 PolarHBondContact O-N 2.83Å
654	Y	96.9	Very high	96.4	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-49.1	176.1	173.6	-101	0	0	0	112.9	A650 M651 L656 E657 I658 K659 E699 E702 A703 I706	A650-Y654 PolarHBondContact O-N 3.1Å; M651-Y654 PolarHBondContact O-N 3.46Å; Y654-L656 VanDerWaalsContact C-N 3.31Å; Y654-L656 PolarHBondContact O-N 3.22Å; Y654-E657 PolarHBondContact O-N 2.97Å; Y654-I658 HydrophobicContact CD2-CB 4.01Å; Y654-I658 HydrophobicContact CD2-CG1 3.68Å; Y654-I658 HydrophobicContact CD2-CG2 4.47Å; Y654-I658 HydrophobicContact CE2-CB 4.01Å; Y654-I658 HydrophobicContact CE2-CG1 3.99Å; Y654-I658 HydrophobicContact CE2-CG2 3.98Å; Y654-I658 HydrophobicContact CG-CG1 4.47Å; Y654-I658 WeakPolarHBondContact O-CA 3.38Å; Y654-I658 VanDerWaalsContact O-CB 3.29Å; Y654-I658 WeakPolarHBondContact O-CB 3.03Å; Y654-I658 PolarHBondContact O-N 3.46Å; Y654-K659 HydrophobicContact CD1-CG 4.45Å; Y654-K659 HydrophobicContact CE1-CD 4.4Å; Y654-K659 HydrophobicContact CE1-CG 4.04Å; Y654-K659 PolarHBondContact O-N 3.23Å; Y654-K659 WeakPolarHBondContact OH-CE 3.42Å; Y654-E699 HydrophobicContact CE1-CB 3.89Å; Y654-E699 HydrophobicContact CE1-CG 4.49Å; Y654-E702 HydrophobicContact CD2-CB 4.19Å; Y654-E702 HydrophobicContact CE2-CB 3.56Å; Y654-E702 VanDerWaalsContact CE2-OE2 3.25Å; Y654-E702 WeakPolarHBondContact CE2-OE2 3.31Å; Y654-E702 PolarHBondContact OH-OE2 2.65Å; Y654-A703 VanDerWaalsContact CB-CB 3.47Å; Y654-A703 HydrophobicContact CD1-CB 4.26Å; Y654-A703 HydrophobicContact CD2-CB 4.25Å; Y654-A703 HydrophobicContact CG-CB 3.77Å; Y654-I706 HydrophobicContact CD2-CD1 3.88Å
655	F	96.1	Very high	96.4	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.057	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-35.2	-179.7	-86.5	-92.1	0	0	0	112.2	M651 K659 H660 Q661 I663 F665 I695	M651-F655 HydrophobicContact CE-CE2 3.96Å; M651-F655 WeakPolarHBondContact O-CD2 3.39Å; M651-F655 PolarHBondContact O-N 2.77Å; F655-K659 HydrophobicContact CD1-CB 3.95Å; F655-K659 HydrophobicContact CD1-CG 3.78Å; F655-K659 HydrophobicContact CE1-CG 4.03Å; F655-K659 HydrophobicContact CG-CG 4.27Å; F655-K659 CarbonylContact O-C 3.5Å; F655-K659 WeakPolarHBondContact O-CA 3.25Å; F655-K659 WeakPolarHBondContact O-CB 3.5Å; F655-K659 PolarHBondContact O-N 3.13Å; F655-H660 PolarHBondContact O-N 3.5Å; F655-Q661 CarbonylContact C-O 3.56Å; F655-Q661 HydrophobicContact CD1-CB 4.37Å; F655-Q661 PolarHBondContact O-N 2.9Å; F655-I663 HydrophobicContact CB-CG1 4.5Å; F655-I663 HydrophobicContact CD1-CD1 3.43Å; F655-I663 VanDerWaalsContact CD1-CD1 3.43Å; F655-I663 HydrophobicContact CD1-CG1 4.12Å; F655-I663 HydrophobicContact CE1-CD1 3.67Å; F655-I663 HydrophobicContact CG-CD1 4.02Å; F655-I663 HydrophobicContact CG-CG1 4.41Å; F655-I663 HydrophobicContact CZ-CD1 4.44Å; F655-F665 AromaticContact CD2-CE2 3.53Å; F655-F665 HydrophobicContact CD2-CE2 3.53Å; F655-F665 AromaticContact CD2-CZ 3.95Å; F655-F665 HydrophobicContact CD2-CZ 3.95Å; F655-F665 AromaticContact CE2-CE2 3.93Å; F655-F665 HydrophobicContact CE2-CE2 3.93Å; F655-F665 AromaticContact CE2-CZ 3.85Å; F655-F665 HydrophobicContact CE2-CZ 3.85Å; F655-F665 HydrophobicContact CG-CE2 4.06Å; F655-F665 HydrophobicContact CZ-CZ 4.4Å; F655-I695 HydrophobicContact CE2-CG2 4.35Å; F655-I695 HydrophobicContact CZ-CG2 4.37Å
656	L	96.2	Very high	96.3	Very high	99 Å²	99	55.2 Å²	55.2	52%	0.518	27%	0.27	S	S	.	.	H	α-helix	trans	-70.3	-48.7	175.7	-177.1	62	0	0	0	112.6	R652 T653 Y654 H660 Q661	R652-L656 VanDerWaalsContact O-CB 3.31Å; R652-L656 WeakPolarHBondContact O-CB 3.27Å; R652-L656 PolarHBondContact O-N 2.76Å; R652-L656 VanDerWaalsContact O-N 3.14Å; T653-L656 PolarHBondContact O-N 2.74Å; Y654-L656 VanDerWaalsContact C-N 3.31Å; Y654-L656 PolarHBondContact O-N 3.22Å; L656-H660 WeakPolarHBondContact O-CA 3.37Å; L656-H660 PolarHBondContact O-ND1 3.03Å; L656-Q661 PolarHBondContact N-O 2.9Å
657	E	95.2	Very high	96.1	Very high	116 Å²	116	56.6 Å²	56.6	54%	0.542	28%	0.275	S	S	.	.	H	α-helix	trans	-82.6	-37.5	-171.6	-66.3	-177.5	179.8	0	0	113.3	T653 Y654 H660	T653-E657 HydrophobicContact CG2-CG 4.33Å; T653-E657 WeakPolarHBondContact O-CB 3.22Å; T653-E657 WeakPolarHBondContact O-CG 3.23Å; T653-E657 PolarHBondContact O-N 2.83Å; Y654-E657 PolarHBondContact O-N 2.97Å; E657-H660 PolarHBondContact O-CE1 3.38Å; E657-H660 PolarHBondContact O-ND1 2.98Å
658	I	94.9	Very high	95.9	Very high	92 Å²	92	61.9 Å²	61.9	47%	0.472	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-41.6	-174.3	-51.4	-57.3	0	0	0	112.3	Y654 I706	Y654-I658 HydrophobicContact CD2-CB 4.01Å; Y654-I658 HydrophobicContact CD2-CG1 3.68Å; Y654-I658 HydrophobicContact CD2-CG2 4.47Å; Y654-I658 HydrophobicContact CE2-CB 4.01Å; Y654-I658 HydrophobicContact CE2-CG1 3.99Å; Y654-I658 HydrophobicContact CE2-CG2 3.98Å; Y654-I658 HydrophobicContact CG-CG1 4.47Å; Y654-I658 WeakPolarHBondContact O-CA 3.38Å; Y654-I658 VanDerWaalsContact O-CB 3.29Å; Y654-I658 WeakPolarHBondContact O-CB 3.03Å; Y654-I658 PolarHBondContact O-N 3.46Å; I658-I706 HydrophobicContact CD1-CD1 4.06Å; I658-I706 HydrophobicContact CG1-CD1 3.8Å
659	K	93.9	Very high	95.8	Very high	70 Å²	70	62 Å²	62	30%	0.304	30%	0.3	S	S	.	.	S	Bend	trans	-95.2	-13.6	-177.6	-53.1	-79	178.7	162	0	113.4	Y654 F655 Q661 E699	Y654-K659 HydrophobicContact CD1-CG 4.45Å; Y654-K659 HydrophobicContact CE1-CD 4.4Å; Y654-K659 HydrophobicContact CE1-CG 4.04Å; Y654-K659 PolarHBondContact O-N 3.23Å; Y654-K659 WeakPolarHBondContact OH-CE 3.42Å; F655-K659 HydrophobicContact CD1-CB 3.95Å; F655-K659 HydrophobicContact CD1-CG 3.78Å; F655-K659 HydrophobicContact CE1-CG 4.03Å; F655-K659 HydrophobicContact CG-CG 4.27Å; F655-K659 CarbonylContact O-C 3.5Å; F655-K659 WeakPolarHBondContact O-CA 3.25Å; F655-K659 WeakPolarHBondContact O-CB 3.5Å; F655-K659 PolarHBondContact O-N 3.13Å; K659-Q661 VanDerWaalsContact C-N 3.29Å; K659-Q661 HydrophobicContact CB-CB 4.46Å; K659-Q661 HydrophobicContact CB-CG 4.35Å; K659-Q661 PolarHBondContact O-N 3.07Å; K659-E699 WeakPolarHBondContact CE-OE2 3.48Å; K659-E699 IonicContact NZ-OE1 2.9Å; K659-E699 PolarHBondContact NZ-OE1 2.95Å; K659-E699 IonicContact NZ-OE2 2.72Å; K659-E699 PolarHBondContact NZ-OE2 3.42Å
660	H	95.3	Very high	95.7	Very high	158 Å²	158	58 Å²	58	73%	0.731	28%	0.284	S	S	*	.			trans	55.7	38.1	-172.5	-54.3	-30.9	0	0	0	114	F655 L656 E657	F655-H660 PolarHBondContact O-N 3.5Å; L656-H660 WeakPolarHBondContact O-CA 3.37Å; L656-H660 PolarHBondContact O-ND1 3.03Å; E657-H660 PolarHBondContact O-CE1 3.38Å; E657-H660 PolarHBondContact O-ND1 2.98Å
661	Q	94.6	Very high	95.6	Very high	97 Å²	97	60.1 Å²	60.1	45%	0.453	29%	0.292	S	S	.	.			trans	-123.2	132.4	-179	-67.8	175.9	7.9	0	0	111.5	F655 L656 K659 I663	F655-Q661 CarbonylContact C-O 3.56Å; F655-Q661 HydrophobicContact CD1-CB 4.37Å; F655-Q661 PolarHBondContact O-N 2.9Å; L656-Q661 PolarHBondContact N-O 2.9Å; K659-Q661 VanDerWaalsContact C-N 3.29Å; K659-Q661 HydrophobicContact CB-CB 4.46Å; K659-Q661 HydrophobicContact CB-CG 4.35Å; K659-Q661 PolarHBondContact O-N 3.07Å; Q661-I663 HydrophobicContact CB-CG1 4.26Å; Q661-I663 PolarHBondContact O-N 2.93Å
662	T	94.9	Very high	95.4	Very high	115 Å²	115	61.9 Å²	61.9	71%	0.706	30%	0.303	S	S	*	.			trans	-89.9	79	177.1	-51.5	0	0	0	0	110.6	L664	T662-L664 HydrophobicContact CG2-CD2 4.2Å
663	I	94.8	Very high	95.1	Very high	45 Å²	45	57.1 Å²	57.1	23%	0.231	29%	0.287	C	S	.	.			trans	-93.2	135.4	172.8	-52.4	-172.8	0	0	0	109.4	F655 Q661 F665 P688	F655-I663 HydrophobicContact CB-CG1 4.5Å; F655-I663 HydrophobicContact CD1-CD1 3.43Å; F655-I663 VanDerWaalsContact CD1-CD1 3.43Å; F655-I663 HydrophobicContact CD1-CG1 4.12Å; F655-I663 HydrophobicContact CE1-CD1 3.67Å; F655-I663 HydrophobicContact CG-CD1 4.02Å; F655-I663 HydrophobicContact CG-CG1 4.41Å; F655-I663 HydrophobicContact CZ-CD1 4.44Å; Q661-I663 HydrophobicContact CB-CG1 4.26Å; Q661-I663 PolarHBondContact O-N 2.93Å; I663-F665 HydrophobicContact CB-CD2 4.11Å; I663-F665 HydrophobicContact CB-CE2 3.65Å; I663-F665 HydrophobicContact CB-CZ 4.19Å; I663-F665 HydrophobicContact CD1-CE2 4.42Å; I663-F665 HydrophobicContact CD1-CZ 4.34Å; I663-F665 HydrophobicContact CG2-CD1 4.37Å; I663-F665 HydrophobicContact CG2-CD2 3.79Å; I663-F665 HydrophobicContact CG2-CE1 4.06Å; I663-F665 HydrophobicContact CG2-CE2 3.43Å; I663-F665 VanDerWaalsContact CG2-CE2 3.43Å; I663-F665 HydrophobicContact CG2-CG 4.26Å; I663-F665 HydrophobicContact CG2-CZ 3.59Å; I663-P688 HydrophobicContact CG2-CG 3.58Å
664	L	95.6	Very high	94.7	Very high	112 Å²	112	60.4 Å²	60.4	59%	0.586	30%	0.303	S	S	*	.			trans	-103.1	47.2	-169.4	-61.8	-179.6	0	0	0	113.7	R652 T662 G666	R652-L664 PolarHBondContact NH2-O 3.32Å; T662-L664 HydrophobicContact CG2-CD2 4.2Å; L664-G666 PolarHBondContact O-N 2.78Å
665	F	96.7	Very high	94.3	Very high	1 Å²	1	64.5 Å²	64.5	0%	0.004	33%	0.325	C	S	.	.			trans	-43.9	122.5	-179.6	-64.6	-78	0	0	0	113.7	A648 M651 R652 F655 I663 D669 V685 T686 P688 I695	A648-F665 HydrophobicContact CB-CB 4.39Å; M651-F665 HydrophobicContact CB-CB 4.29Å; M651-F665 HydrophobicContact CB-CD1 4.48Å; M651-F665 HydrophobicContact CB-CD2 3.53Å; M651-F665 HydrophobicContact CB-CE2 3.89Å; M651-F665 HydrophobicContact CB-CG 3.86Å; M651-F665 HydrophobicContact CB-CZ 4.5Å; M651-F665 HydrophobicContact CE-CZ 4.49Å; R652-F665 HydrophobicContact CG-CB 4.21Å; R652-F665 HydrophobicContact CG-CD2 4.33Å; R652-F665 PolarHBondContact NE-O 3.24Å; R652-F665 PolarHBondContact NH2-O 3.02Å; F655-F665 AromaticContact CD2-CE2 3.53Å; F655-F665 HydrophobicContact CD2-CE2 3.53Å; F655-F665 AromaticContact CD2-CZ 3.95Å; F655-F665 HydrophobicContact CD2-CZ 3.95Å; F655-F665 AromaticContact CE2-CE2 3.93Å; F655-F665 HydrophobicContact CE2-CE2 3.93Å; F655-F665 AromaticContact CE2-CZ 3.85Å; F655-F665 HydrophobicContact CE2-CZ 3.85Å; F655-F665 HydrophobicContact CG-CE2 4.06Å; F655-F665 HydrophobicContact CZ-CZ 4.4Å; I663-F665 HydrophobicContact CB-CD2 4.11Å; I663-F665 HydrophobicContact CB-CE2 3.65Å; I663-F665 HydrophobicContact CB-CZ 4.19Å; I663-F665 HydrophobicContact CD1-CE2 4.42Å; I663-F665 HydrophobicContact CD1-CZ 4.34Å; I663-F665 HydrophobicContact CG2-CD1 4.37Å; I663-F665 HydrophobicContact CG2-CD2 3.79Å; I663-F665 HydrophobicContact CG2-CE1 4.06Å; I663-F665 HydrophobicContact CG2-CE2 3.43Å; I663-F665 VanDerWaalsContact CG2-CE2 3.43Å; I663-F665 HydrophobicContact CG2-CG 4.26Å; I663-F665 HydrophobicContact CG2-CZ 3.59Å; F665-D669 WeakPolarHBondContact CA-OD2 3.42Å; F665-D669 HydrophobicContact CD1-CB 4.41Å; F665-V685 HydrophobicContact CD1-CG1 3.84Å; F665-V685 HydrophobicContact CE1-CG1 3.93Å; F665-T686 WeakPolarHBondContact CE1-O 3.41Å; F665-P688 HydrophobicContact CD1-CG 4.14Å; F665-P688 HydrophobicContact CG-CG 4.48Å; F665-I695 HydrophobicContact CE1-CD1 3.96Å; F665-I695 HydrophobicContact CE1-CG1 3.83Å; F665-I695 HydrophobicContact CZ-CD1 4.05Å; F665-I695 HydrophobicContact CZ-CG1 4.16Å
666	G	95.8	Very high	94	Very high	6 Å²	6	68.8 Å²	68.8	6%	0.062	34%	0.344	C	S	.	.			trans	-88.7	-178.6	175.1	0	0	0	0	0	113.4	A648 L664 E668 D669	A648-G666 WeakPolarHBondContact CB-O 3.32Å; L664-G666 PolarHBondContact O-N 2.78Å; G666-E668 VanDerWaalsContact C-N 3.32Å; G666-E668 VanDerWaalsContact C-OE2 3.3Å; G666-E668 WeakPolarHBondContact CA-OE2 3.21Å; G666-D669 PolarHBondContact N-OD2 3.48Å
667	E	95.2	Very high	93.4	Very high	46 Å²	46	70.6 Å²	70.6	22%	0.215	36%	0.362	C	S	.	.	S	Bend	trans	-78.7	-24.8	169.7	69.3	91	-132.6	0	0	111.4	Y641 R644 D669 V670	Y641-E667 HydrophobicContact CD2-CG 4.07Å; Y641-E667 WeakPolarHBondContact CD2-OE2 3.48Å; Y641-E667 HydrophobicContact CE2-CG 3.76Å; R644-E667 HydrophobicContact CB-CB 4.1Å; R644-E667 IonicContact CZ-OE2 3.65Å; R644-E667 IonicContact NE-OE2 2.73Å; R644-E667 PolarHBondContact NH1-O 3.33Å; R644-E667 VanDerWaalsContact NH1-O 3.1Å; R644-E667 IonicContact NH1-OE1 3.68Å; R644-E667 PolarHBondContact NH1-OE1 3.15Å; R644-E667 IonicContact NH1-OE2 3.47Å; R644-E667 PolarHBondContact NH1-OE2 2.86Å; R644-E667 IonicContact NH2-OE1 3.82Å; R644-E667 IonicContact NH2-OE2 3.12Å; R644-E667 PolarHBondContact NH2-OE2 3.31Å; E667-D669 PolarHBondContact O-N 2.93Å; E667-V670 PolarHBondContact O-N 3Å
668	E	92.4	Very high	92.9	Very high	111 Å²	111	75.2 Å²	75.2	52%	0.519	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.2	169.6	65.4	-89.3	-146.9	0	0	113.9	G666 R671	G666-E668 VanDerWaalsContact C-N 3.32Å; G666-E668 VanDerWaalsContact C-OE2 3.3Å; G666-E668 WeakPolarHBondContact CA-OE2 3.21Å; E668-R671 PolarHBondContact O-NE 3.09Å; E668-R671 PolarHBondContact O-NH2 2.96Å; E668-R671 VanDerWaalsContact O-NH2 3.13Å
669	D	95.4	Very high	92.6	Very high	7 Å²	7	72.4 Å²	72.4	4%	0.037	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.4	176.1	-67.4	-37.2	0	0	0	112.6	F665 G666 E667 V685 T686 P688	F665-D669 WeakPolarHBondContact CA-OD2 3.42Å; F665-D669 HydrophobicContact CD1-CB 4.41Å; G666-D669 PolarHBondContact N-OD2 3.48Å; E667-D669 PolarHBondContact O-N 2.93Å; D669-V685 CarbonylContact O-C 3.6Å; D669-V685 WeakPolarHBondContact O-CA 3.28Å; D669-T686 PolarHBondContact O-N 3.48Å; D669-T686 PolarHBondContact O-OG1 3.35Å; D669-P688 WeakPolarHBondContact OD1-CA 3.31Å; D669-P688 WeakPolarHBondContact OD2-CA 3.41Å
670	V	96.7	Very high	92.5	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	93.5	-180	-173.8	0	0	0	0	109.4	R644 V647 A648 E667 F683 V685	R644-V670 HydrophobicContact CB-CB 3.99Å; R644-V670 HydrophobicContact CB-CG1 4.29Å; R644-V670 WeakPolarHBondContact CD-O 3.42Å; R644-V670 HydrophobicContact CG-CB 3.98Å; R644-V670 HydrophobicContact CG-CG1 3.95Å; V647-V670 HydrophobicContact CB-CG1 4.09Å; V647-V670 HydrophobicContact CB-CG2 4.1Å; V647-V670 HydrophobicContact CG1-CG1 3.87Å; V647-V670 HydrophobicContact CG1-CG2 3.83Å; A648-V670 HydrophobicContact CB-CG2 4.21Å; E667-V670 PolarHBondContact O-N 3Å; V670-F683 HydrophobicContact CG1-CD2 3.85Å; V670-V685 HydrophobicContact CG2-CG2 4.45Å
671	R	94.4	Very high	92.5	Very high	47 Å²	47	62.6 Å²	62.6	18%	0.177	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.8	-173.1	-60.1	-66.2	167.9	130.4	-2.7	110.5	E166 P492 E668 F683 Y684 T686	E166-R671 IonicContact OE1-CZ 2.64Å; E166-R671 IonicContact OE1-NH1 2.77Å; E166-R671 PolarHBondContact OE1-NH1 3.34Å; P492-R671 HydrophobicContact CG-CB 4.23Å; E668-R671 PolarHBondContact O-NE 3.09Å; E668-R671 PolarHBondContact O-NH2 2.96Å; E668-R671 VanDerWaalsContact O-NH2 3.13Å; R671-F683 CarbonylContact O-C 3.2Å; R671-F683 WeakPolarHBondContact O-CA 3.37Å; R671-F683 VanDerWaalsContact O-CB 3.31Å; R671-F683 WeakPolarHBondContact O-CB 3.41Å; R671-Y684 HydrophobicContact CB-CD1 4.05Å; R671-Y684 HydrophobicContact CB-CD2 4.34Å; R671-Y684 HydrophobicContact CB-CE1 3.61Å; R671-Y684 HydrophobicContact CB-CE2 3.95Å; R671-Y684 HydrophobicContact CB-CG 4.4Å; R671-Y684 HydrophobicContact CG-CE2 4.06Å; R671-Y684 PolarHBondContact N-O 2.84Å; R671-Y684 PolarHBondContact O-N 3.23Å; R671-T686 HydrophobicContact CG-CG2 4.43Å
672	V	94.4	Very high	92.6	Very high	36 Å²	36	59.3 Å²	59.3	22%	0.218	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.5	-173.4	176.9	0	0	0	0	110.7	P492 M640 R644 F681 N682 F683	P492-V672 WeakPolarHBondContact CB-O 3.41Å; P492-V672 WeakPolarHBondContact CG-O 3.36Å; M640-V672 HydrophobicContact CE-CG1 4.01Å; M640-V672 HydrophobicContact SD-CG1 4.16Å; M640-V672 HydrophobicContact SD-CG2 4.06Å; R644-V672 HydrophobicContact CG-CG2 4.01Å; V672-F681 HydrophobicContact CG1-CB 3.97Å; V672-F681 HydrophobicContact CG1-CD2 3.91Å; V672-F681 HydrophobicContact CG1-CG 4.11Å; V672-N682 CarbonylContact C-O 3.56Å; V672-N682 WeakPolarHBondContact CA-O 3.34Å; V672-F683 HydrophobicContact CG2-CB 4.08Å
673	A	91.4	Very high	92.7	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	170.1	-179.5	0	0	0	0	0	111.6	P492 Y613 L675 F681 N682	P492-A673 HydrophobicContact CB-CB 3.74Å; P492-A673 HydrophobicContact CG-CB 4.05Å; Y613-A673 HydrophobicContact CE2-CB 3.86Å; A673-L675 VanDerWaalsContact C-N 3.28Å; A673-L675 PolarHBondContact O-N 2.86Å; A673-L675 VanDerWaalsContact O-N 3.15Å; A673-F681 WeakPolarHBondContact O-CA 3.29Å; A673-F681 WeakPolarHBondContact O-CB 3.48Å; A673-N682 HydrophobicContact CB-CB 4.33Å; A673-N682 PolarHBondContact N-O 2.93Å; A673-N682 PolarHBondContact O-N 3.31Å
674	D	88.3	Confident	92.8	Very high	82 Å²	82	51.8 Å²	51.8	44%	0.439	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.7	29.8	169.4	-74.9	-70.1	0	0	0	116.2	K676 N682	D674-K676 WeakPolarHBondContact O-CE 3.39Å; D674-K676 WeakPolarHBondContact O-CG 3.46Å; D674-K676 PolarHBondContact O-N 2.92Å; D674-K676 IonicContact OD1-NZ 2.74Å; D674-N682 HydrophobicContact CB-CB 4.37Å; D674-N682 PolarHBondContact OD2-ND2 3.44Å
675	L	89.1	Confident	92.9	Very high	91 Å²	91	46.5 Å²	46.5	48%	0.476	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	121.2	-178.8	-176.1	60.4	0	0	0	111.9	M640 A673 F681	M640-L675 HydrophobicContact CE-CD1 3.87Å; M640-L675 HydrophobicContact CE-CD2 4.26Å; A673-L675 VanDerWaalsContact C-N 3.28Å; A673-L675 PolarHBondContact O-N 2.86Å; A673-L675 VanDerWaalsContact O-N 3.15Å; L675-F681 HydrophobicContact CB-CB 4.45Å; L675-F681 HydrophobicContact CD1-CB 4.07Å; L675-F681 HydrophobicContact CD1-CD1 3.83Å; L675-F681 HydrophobicContact CD1-CG 4.34Å
676	K	88.3	Confident	92.8	Very high	103 Å²	103	46.5 Å²	46.5	45%	0.448	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.2	-177.9	-39.4	-152.2	177.3	-159.4	0	111.6	D674 R678 I679 S680	D674-K676 WeakPolarHBondContact O-CE 3.39Å; D674-K676 WeakPolarHBondContact O-CG 3.46Å; D674-K676 PolarHBondContact O-N 2.92Å; D674-K676 IonicContact OD1-NZ 2.74Å; K676-R678 PolarHBondContact O-N 3.35Å; K676-I679 WeakPolarHBondContact O-CA 3.43Å; K676-I679 PolarHBondContact O-N 3.04Å; K676-S680 PolarHBondContact N-O 3.45Å; K676-S680 PolarHBondContact O-N 2.89Å
677	P	83.7	Confident	92.7	Very high	138 Å²	138	46.8 Å²	46.8	90%	0.896	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-13.7	-176.7	-28.3	36	0	0	0	116.9	I679	P677-I679 PolarHBondContact O-N 2.92Å
678	R	84.8	Confident	92.5	Very high	213 Å²	213	46.8 Å²	46.8	80%	0.804	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	16.6	170.4	-158.8	-176.8	160.3	166.4	-4	112.6	K676	K676-R678 PolarHBondContact O-N 3.35Å
679	I	88	Confident	92.2	Very high	33 Å²	33	49.8 Å²	49.8	17%	0.169	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	62	-174	-39.1	166.5	0	0	0	110.8	I622 L624 W635 K676 P677	I622-I679 HydrophobicContact CB-CB 4Å; I622-I679 HydrophobicContact CB-CG2 3.64Å; I622-I679 HydrophobicContact CD1-CG2 3.85Å; I622-I679 HydrophobicContact CG1-CG2 3.88Å; I622-I679 HydrophobicContact CG2-CG2 4.39Å; I622-I679 PolarHBondContact N-O 3.43Å; L624-I679 HydrophobicContact CD1-CD1 3.63Å; L624-I679 HydrophobicContact CG-CD1 3.81Å; W635-I679 HydrophobicContact CB-CD1 3.67Å; W635-I679 HydrophobicContact CB-CG1 4.05Å; W635-I679 HydrophobicContact CB-CG2 4.14Å; W635-I679 HydrophobicContact CD2-CG2 3.73Å; W635-I679 HydrophobicContact CE3-CG2 4.31Å; W635-I679 HydrophobicContact CG-CD1 4.32Å; W635-I679 HydrophobicContact CG-CG1 4.41Å; W635-I679 HydrophobicContact CG-CG2 3.61Å; K676-I679 WeakPolarHBondContact O-CA 3.43Å; K676-I679 PolarHBondContact O-N 3.04Å; P677-I679 PolarHBondContact O-N 2.92Å
680	S	93.6	Very high	91.9	Very high	21 Å²	21	53 Å²	53	15%	0.147	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.4	169.9	67.9	0	0	0	0	109.5	V620 K676	V620-S680 VanDerWaalsContact O-CA 3.26Å; V620-S680 WeakPolarHBondContact O-CA 3.39Å; V620-S680 WeakPolarHBondContact O-CB 3.28Å; K676-S680 PolarHBondContact N-O 3.45Å; K676-S680 PolarHBondContact O-N 2.89Å
681	F	95	Very high	91.5	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	164.8	-178.9	49.2	-92.5	0	0	0	109.4	V620 I622 W635 M640 F643 V672 A673 L675 F683	V620-F681 HydrophobicContact CB-CD2 4.08Å; V620-F681 HydrophobicContact CB-CE1 4.4Å; V620-F681 HydrophobicContact CB-CE2 3.75Å; V620-F681 HydrophobicContact CB-CZ 3.93Å; V620-F681 HydrophobicContact CG1-CE1 4.26Å; V620-F681 HydrophobicContact CG1-CE2 4.13Å; V620-F681 HydrophobicContact CG1-CZ 3.82Å; V620-F681 HydrophobicContact CG2-CD2 4.19Å; V620-F681 HydrophobicContact CG2-CE2 3.71Å; V620-F681 HydrophobicContact CG2-CZ 4.24Å; V620-F681 PolarHBondContact N-O 3.08Å; V620-F681 PolarHBondContact O-N 3.45Å; I622-F681 HydrophobicContact CD1-CE1 3.9Å; I622-F681 HydrophobicContact CD1-CZ 4.14Å; I622-F681 HydrophobicContact CG1-CE1 4.46Å; W635-F681 HydrophobicContact CZ2-CE1 4.27Å; W635-F681 HydrophobicContact CZ2-CZ 4.41Å; M640-F681 HydrophobicContact CE-CD1 3.84Å; M640-F681 HydrophobicContact CE-CE1 3.86Å; M640-F681 HydrophobicContact CE-CG 4.17Å; M640-F681 HydrophobicContact CE-CZ 4.21Å; M640-F681 HydrophobicContact SD-CZ 4.35Å; F643-F681 AromaticContact CD1-CE2 3.93Å; F643-F681 HydrophobicContact CD1-CE2 3.93Å; F643-F681 AromaticContact CD1-CZ 3.99Å; F643-F681 HydrophobicContact CD1-CZ 3.99Å; F643-F681 HydrophobicContact CD2-CZ 4.29Å; F643-F681 AromaticContact CE1-CE2 3.52Å; F643-F681 HydrophobicContact CE1-CE2 3.52Å; F643-F681 AromaticContact CE1-CZ 3.92Å; F643-F681 HydrophobicContact CE1-CZ 3.92Å; F643-F681 HydrophobicContact CE2-CE2 4.44Å; F643-F681 HydrophobicContact CE2-CZ 4.2Å; F643-F681 HydrophobicContact CG-CZ 4.19Å; F643-F681 AromaticContact CZ-CE2 3.81Å; F643-F681 HydrophobicContact CZ-CE2 3.81Å; F643-F681 HydrophobicContact CZ-CZ 4.03Å; V672-F681 HydrophobicContact CG1-CB 3.97Å; V672-F681 HydrophobicContact CG1-CD2 3.91Å; V672-F681 HydrophobicContact CG1-CG 4.11Å; A673-F681 WeakPolarHBondContact O-CA 3.29Å; A673-F681 WeakPolarHBondContact O-CB 3.48Å; L675-F681 HydrophobicContact CB-CB 4.45Å; L675-F681 HydrophobicContact CD1-CB 4.07Å; L675-F681 HydrophobicContact CD1-CD1 3.83Å; L675-F681 HydrophobicContact CD1-CG 4.34Å; F681-F683 HydrophobicContact CE2-CD1 4.46Å
682	N	95.6	Very high	91.2	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	151.8	168.6	-71	-32.8	0	0	0	108.5	I618 K619 V672 A673 D674	I618-N682 CarbonylContact O-C 3.58Å; I618-N682 WeakPolarHBondContact O-CA 3.47Å; K619-N682 VanDerWaalsContact CB-OD1 3.23Å; K619-N682 WeakPolarHBondContact CB-OD1 3.36Å; K619-N682 WeakPolarHBondContact CD-OD1 3.42Å; K619-N682 WeakPolarHBondContact CG-OD1 3.46Å; V672-N682 CarbonylContact C-O 3.56Å; V672-N682 WeakPolarHBondContact CA-O 3.34Å; A673-N682 HydrophobicContact CB-CB 4.33Å; A673-N682 PolarHBondContact N-O 2.93Å; A673-N682 PolarHBondContact O-N 3.31Å; D674-N682 HydrophobicContact CB-CB 4.37Å; D674-N682 PolarHBondContact OD2-ND2 3.44Å
683	F	97.1	Very high	91.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.8	168.4	76.4	-80.5	0	0	0	112.6	S617 I618 V620 F643 V647 V670 R671 V672 F681 V700 I704 F724	S617-F683 CarbonylContact C-O 3.37Å; S617-F683 VanDerWaalsContact CA-O 3.3Å; S617-F683 WeakPolarHBondContact CA-O 3.22Å; I618-F683 HydrophobicContact CB-CD1 4.46Å; I618-F683 HydrophobicContact CB-CE1 3.94Å; I618-F683 HydrophobicContact CB-CZ 4.16Å; I618-F683 HydrophobicContact CD1-CZ 4.47Å; I618-F683 HydrophobicContact CG2-CE1 4.07Å; I618-F683 HydrophobicContact CG2-CZ 4.4Å; I618-F683 PolarHBondContact N-O 3.07Å; I618-F683 WeakPolarHBondContact O-CD1 3.43Å; I618-F683 PolarHBondContact O-N 2.81Å; V620-F683 HydrophobicContact CG2-CD1 3.6Å; V620-F683 HydrophobicContact CG2-CE1 3.41Å; V620-F683 VanDerWaalsContact CG2-CE1 3.41Å; F643-F683 HydrophobicContact CE1-CD1 4.2Å; F643-F683 HydrophobicContact CE1-CE1 4.34Å; F643-F683 HydrophobicContact CE1-CG 4.41Å; F643-F683 HydrophobicContact CZ-CD1 4.25Å; F643-F683 AromaticContact CZ-CE1 4Å; F643-F683 HydrophobicContact CZ-CE1 4Å; F643-F683 HydrophobicContact CZ-CZ 4.37Å; V647-F683 HydrophobicContact CG1-CD2 4.36Å; V647-F683 HydrophobicContact CG1-CE2 3.76Å; V647-F683 HydrophobicContact CG2-CE2 4.09Å; V647-F683 HydrophobicContact CG2-CZ 4.25Å; V670-F683 HydrophobicContact CG1-CD2 3.85Å; R671-F683 CarbonylContact O-C 3.2Å; R671-F683 WeakPolarHBondContact O-CA 3.37Å; R671-F683 VanDerWaalsContact O-CB 3.31Å; R671-F683 WeakPolarHBondContact O-CB 3.41Å; V672-F683 HydrophobicContact CG2-CB 4.08Å; F681-F683 HydrophobicContact CE2-CD1 4.46Å; F683-V700 HydrophobicContact CE2-CG1 4.18Å; F683-I704 HydrophobicContact CE2-CD1 4.33Å; F683-I704 HydrophobicContact CZ-CD1 3.69Å; F683-F724 HydrophobicContact CE1-CD1 4.01Å; F683-F724 AromaticContact CE1-CE1 3.9Å; F683-F724 HydrophobicContact CE1-CE1 3.9Å; F683-F724 HydrophobicContact CZ-CD1 4.21Å; F683-F724 AromaticContact CZ-CE1 3.95Å; F683-F724 HydrophobicContact CZ-CE1 3.95Å
684	Y	96.9	Very high	91.3	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	175.7	169	65.9	-83.9	0	0	0	110	P492 Y613 R671 T686 I694	P492-Y684 VanDerWaalsContact CD-OH 3.23Å; P492-Y684 WeakPolarHBondContact CD-OH 3.44Å; P492-Y684 HydrophobicContact CG-CE1 3.99Å; Y613-Y684 HydrophobicContact CD1-CE1 4.31Å; Y613-Y684 AromaticContact CD2-CD1 3.92Å; Y613-Y684 HydrophobicContact CD2-CD1 3.92Å; Y613-Y684 AromaticContact CD2-CE1 3.55Å; Y613-Y684 HydrophobicContact CD2-CE1 3.55Å; Y613-Y684 HydrophobicContact CE2-CE1 4.36Å; Y613-Y684 HydrophobicContact CG-CD1 4.14Å; Y613-Y684 AromaticContact CG-CE1 3.52Å; Y613-Y684 HydrophobicContact CG-CE1 3.52Å; R671-Y684 HydrophobicContact CB-CD1 4.05Å; R671-Y684 HydrophobicContact CB-CD2 4.34Å; R671-Y684 HydrophobicContact CB-CE1 3.61Å; R671-Y684 HydrophobicContact CB-CE2 3.95Å; R671-Y684 HydrophobicContact CB-CG 4.4Å; R671-Y684 HydrophobicContact CG-CE2 4.06Å; R671-Y684 PolarHBondContact N-O 2.84Å; R671-Y684 PolarHBondContact O-N 3.23Å; Y684-T686 HydrophobicContact CD2-CG2 4.28Å; Y684-T686 HydrophobicContact CE2-CG2 3.79Å; Y684-I694 HydrophobicContact CD2-CD1 4.21Å; Y684-I694 HydrophobicContact CD2-CG1 4.01Å; Y684-I694 HydrophobicContact CD2-CG2 3.92Å; Y684-I694 HydrophobicContact CE2-CD1 3.93Å; Y684-I694 HydrophobicContact CE2-CG1 3.87Å
685	V	97.2	Very high	91.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.8	-178.5	-175.6	0	0	0	0	109.9	V647 M651 F665 D669 V670 I695 V700	V647-V685 HydrophobicContact CG1-CG2 4.09Å; M651-V685 HydrophobicContact CE-CG1 4.33Å; M651-V685 HydrophobicContact CG-CG1 4.23Å; M651-V685 HydrophobicContact CG-CG2 4.23Å; M651-V685 HydrophobicContact SD-CG2 4.36Å; F665-V685 HydrophobicContact CD1-CG1 3.84Å; F665-V685 HydrophobicContact CE1-CG1 3.93Å; D669-V685 CarbonylContact O-C 3.6Å; D669-V685 WeakPolarHBondContact O-CA 3.28Å; V670-V685 HydrophobicContact CG2-CG2 4.45Å; V685-I695 HydrophobicContact CB-CB 4.32Å; V685-I695 HydrophobicContact CB-CG1 4.26Å; V685-I695 HydrophobicContact CG1-CG1 3.99Å; V685-I695 PolarHBondContact O-N 2.9Å; V685-V700 HydrophobicContact CB-CG2 4.3Å; V685-V700 HydrophobicContact CG2-CG1 4.03Å; V685-V700 HydrophobicContact CG2-CG2 4.19Å
686	T	95.9	Very high	92	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	160.6	171.3	53.6	0	0	0	0	111.7	F665 D669 R671 Y684 D693 I694	F665-T686 WeakPolarHBondContact CE1-O 3.41Å; D669-T686 PolarHBondContact O-N 3.48Å; D669-T686 PolarHBondContact O-OG1 3.35Å; R671-T686 HydrophobicContact CG-CG2 4.43Å; Y684-T686 HydrophobicContact CD2-CG2 4.28Å; Y684-T686 HydrophobicContact CE2-CG2 3.79Å; T686-D693 CarbonylContact C-O 3.11Å; T686-D693 VanDerWaalsContact CA-O 3.32Å; T686-D693 WeakPolarHBondContact CA-O 3.35Å; T686-I694 HydrophobicContact CG2-CG1 4.3Å
687	A	93.4	Very high	92.3	Very high	13 Å²	13	50 Å²	50	11%	0.107	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.6	168.1	0	0	0	0	0	110.9	K689 N690 D693 I695	A687-K689 PolarHBondContact O-N 3.18Å; A687-K689 VanDerWaalsContact O-N 3.16Å; A687-N690 HydrophobicContact CB-CB 4.34Å; A687-N690 CarbonylContact O-C 3.59Å; A687-N690 PolarHBondContact O-N 2.77Å; A687-D693 HydrophobicContact CB-CB 3.91Å; A687-D693 VanDerWaalsContact CB-OD2 3.31Å; A687-D693 WeakPolarHBondContact CB-OD2 3.5Å; A687-D693 PolarHBondContact N-O 3.49Å; A687-I695 HydrophobicContact CB-CD1 4.26Å
688	P	91.4	Very high	92.9	Very high	46 Å²	46	47.9 Å²	47.9	30%	0.299	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	121.9	-176	-26.1	34.3	0	0	0	112.8	I663 F665 D669 N690	I663-P688 HydrophobicContact CG2-CG 3.58Å; F665-P688 HydrophobicContact CD1-CG 4.14Å; F665-P688 HydrophobicContact CG-CG 4.48Å; D669-P688 WeakPolarHBondContact OD1-CA 3.31Å; D669-P688 WeakPolarHBondContact OD2-CA 3.41Å; P688-N690 PolarHBondContact O-N 3.04Å
689	K	85.4	Confident	93.4	Very high	174 Å²	174	40 Å²	40	76%	0.757	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	10.8	-176.8	-47.6	-178.9	178.5	-175.9	0	115.9	P135 A687	P135-K689 HydrophobicContact CB-CB 4.34Å; P135-K689 WeakPolarHBondContact CB-O 3.39Å; A687-K689 PolarHBondContact O-N 3.18Å; A687-K689 VanDerWaalsContact O-N 3.16Å
690	N	88.9	Confident	93.8	Very high	73 Å²	73	38.5 Å²	38.5	39%	0.39	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	87.8	173.9	-175.2	11.3	0	0	0	110.2	A687 P688 S692 D693	A687-N690 HydrophobicContact CB-CB 4.34Å; A687-N690 CarbonylContact O-C 3.59Å; A687-N690 PolarHBondContact O-N 2.77Å; P688-N690 PolarHBondContact O-N 3.04Å; N690-S692 PolarHBondContact O-N 2.97Å; N690-S692 PolarHBondContact OD1-N 2.87Å; N690-D693 HydrophobicContact CB-CB 4.32Å; N690-D693 VanDerWaalsContact ND2-CB 3.26Å; N690-D693 WeakPolarHBondContact ND2-CB 3.26Å; N690-D693 PolarHBondContact O-N 3.32Å
691	V	89.1	Confident	93.9	Very high	20 Å²	20	39.2 Å²	39.2	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-23.6	-176.5	68.1	0	0	0	0	113.5	L162 E166 V491	L162-V691 HydrophobicContact CG-CG1 4.26Å; E166-V691 HydrophobicContact CB-CG1 4.45Å; E166-V691 HydrophobicContact CG-CG1 4.37Å; E166-V691 HydrophobicContact CG-CG2 4.35Å; V491-V691 HydrophobicContact CG2-CG2 3.66Å
692	S	88	Confident	93.8	Very high	21 Å²	21	43.5 Å²	43.5	15%	0.147	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-15.9	-178.1	-48.7	0	0	0	0	113.3	N159 N690	N159-S692 PolarHBondContact O-OG 2.86Å; N690-S692 PolarHBondContact O-N 2.97Å; N690-S692 PolarHBondContact OD1-N 2.87Å
693	D	92.3	Very high	93.8	Very high	78 Å²	78	42.2 Å²	42.2	42%	0.417	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	91.9	177.6	-178.7	14.9	0	0	0	109.6	T686 A687 N690	T686-D693 CarbonylContact C-O 3.11Å; T686-D693 VanDerWaalsContact CA-O 3.32Å; T686-D693 WeakPolarHBondContact CA-O 3.35Å; A687-D693 HydrophobicContact CB-CB 3.91Å; A687-D693 VanDerWaalsContact CB-OD2 3.31Å; A687-D693 WeakPolarHBondContact CB-OD2 3.5Å; A687-D693 PolarHBondContact N-O 3.49Å; N690-D693 HydrophobicContact CB-CB 4.32Å; N690-D693 VanDerWaalsContact ND2-CB 3.26Å; N690-D693 WeakPolarHBondContact ND2-CB 3.26Å; N690-D693 PolarHBondContact O-N 3.32Å
694	I	94.5	Very high	93.8	Very high	46 Å²	46	42.2 Å²	42.2	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.1	176.8	-65.5	170.3	0	0	0	108.7	Q616 Y684 T686	Q616-I694 HydrophobicContact CB-CG2 3.73Å; Q616-I694 HydrophobicContact CG-CG2 3.92Å; Y684-I694 HydrophobicContact CD2-CD1 4.21Å; Y684-I694 HydrophobicContact CD2-CG1 4.01Å; Y684-I694 HydrophobicContact CD2-CG2 3.92Å; Y684-I694 HydrophobicContact CE2-CD1 3.93Å; Y684-I694 HydrophobicContact CE2-CG1 3.87Å; T686-I694 HydrophobicContact CG2-CG1 4.3Å
695	I	96.6	Very high	93.6	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.056	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.9	125.2	177.5	-52.3	-58	0	0	0	109	M651 F655 F665 V685 A687 R697 E699 V700	M651-I695 HydrophobicContact CE-CB 4.37Å; M651-I695 HydrophobicContact CE-CG2 3.71Å; F655-I695 HydrophobicContact CE2-CG2 4.35Å; F655-I695 HydrophobicContact CZ-CG2 4.37Å; F665-I695 HydrophobicContact CE1-CD1 3.96Å; F665-I695 HydrophobicContact CE1-CG1 3.83Å; F665-I695 HydrophobicContact CZ-CD1 4.05Å; F665-I695 HydrophobicContact CZ-CG1 4.16Å; V685-I695 HydrophobicContact CB-CB 4.32Å; V685-I695 HydrophobicContact CB-CG1 4.26Å; V685-I695 HydrophobicContact CG1-CG1 3.99Å; V685-I695 PolarHBondContact O-N 2.9Å; A687-I695 HydrophobicContact CB-CD1 4.26Å; I695-R697 PolarHBondContact O-N 3.3Å; I695-E699 HydrophobicContact CG2-CB 4.27Å; I695-V700 HydrophobicContact CB-CG2 4.21Å; I695-V700 HydrophobicContact CG2-CG2 4.02Å
696	P	96	Very high	93.3	Very high	59 Å²	59	51.7 Å²	51.7	38%	0.383	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-56.2	133.4	-175.3	-27.7	34.9	0	0	0	112.4	T698 E699 V700	P696-T698 PolarHBondContact O-N 3.09Å; P696-E699 PolarHBondContact O-N 2.79Å; P696-V700 PolarHBondContact O-N 3.13Å
697	R	95.4	Very high	93.2	Very high	71 Å²	71	52 Å²	52	27%	0.268	26%	0.263	S	S	.	.	H	α-helix	trans	-46.8	-40	-176.3	176.9	176.9	161.4	148.4	5.5	113.8	D615 S617 I618 I695 E699 V700 E701 L725	D615-R697 WeakPolarHBondContact O-CD 3.34Å; S617-R697 PolarHBondContact O-NH1 3.23Å; I618-R697 HydrophobicContact CD1-CG 4.38Å; I618-R697 HydrophobicContact CG1-CG 3.93Å; I695-R697 PolarHBondContact O-N 3.3Å; R697-E699 VanDerWaalsContact C-N 3.31Å; R697-E699 PolarHBondContact O-N 2.71Å; R697-V700 PolarHBondContact O-N 2.97Å; R697-E701 HydrophobicContact CG-CG 4.28Å; R697-E701 IonicContact CZ-OE1 3.92Å; R697-E701 IonicContact NE-OE1 2.75Å; R697-E701 PolarHBondContact NE-OE1 2.93Å; R697-E701 IonicContact NH2-OE1 2.7Å; R697-E701 PolarHBondContact NH2-OE1 3.32Å; R697-E701 WeakPolarHBondContact O-CG 3.4Å; R697-E701 PolarHBondContact O-N 2.91Å; R697-L725 PolarHBondContact NH2-O 3.24Å
698	T	94.9	Very high	93.2	Very high	95 Å²	95	51.6 Å²	51.6	58%	0.583	26%	0.258	S	S	*	.	H	α-helix	trans	-60.9	-36.3	179.7	48.4	0	0	0	0	113.2	P696 E702	P696-T698 PolarHBondContact O-N 3.09Å; T698-E702 WeakPolarHBondContact O-CG 3.34Å; T698-E702 PolarHBondContact O-N 3.31Å; T698-E702 VanDerWaalsContact O-N 3.11Å
699	E	95.4	Very high	93.2	Very high	46 Å²	46	52.8 Å²	52.8	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-74.4	-35.3	177	-56	-152.5	176.5	0	0	111.2	Y654 K659 I695 P696 R697 E702 A703	Y654-E699 HydrophobicContact CE1-CB 3.89Å; Y654-E699 HydrophobicContact CE1-CG 4.49Å; K659-E699 WeakPolarHBondContact CE-OE2 3.48Å; K659-E699 IonicContact NZ-OE1 2.9Å; K659-E699 PolarHBondContact NZ-OE1 2.95Å; K659-E699 IonicContact NZ-OE2 2.72Å; K659-E699 PolarHBondContact NZ-OE2 3.42Å; I695-E699 HydrophobicContact CG2-CB 4.27Å; P696-E699 PolarHBondContact O-N 2.79Å; R697-E699 VanDerWaalsContact C-N 3.31Å; R697-E699 PolarHBondContact O-N 2.71Å; E699-E702 PolarHBondContact O-N 2.85Å; E699-A703 WeakPolarHBondContact O-CB 3.33Å; E699-A703 PolarHBondContact O-N 3.43Å
700	V	96.6	Very high	93.7	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-41.4	173	-171.6	0	0	0	0	110.7	I618 M651 F683 V685 I695 P696 R697 E702 A703 I704	I618-V700 HydrophobicContact CD1-CB 3.93Å; I618-V700 HydrophobicContact CD1-CG1 3.64Å; M651-V700 HydrophobicContact CE-CG2 3.89Å; M651-V700 HydrophobicContact SD-CB 4.31Å; M651-V700 HydrophobicContact SD-CG1 4.05Å; M651-V700 HydrophobicContact SD-CG2 4.24Å; F683-V700 HydrophobicContact CE2-CG1 4.18Å; V685-V700 HydrophobicContact CB-CG2 4.3Å; V685-V700 HydrophobicContact CG2-CG1 4.03Å; V685-V700 HydrophobicContact CG2-CG2 4.19Å; I695-V700 HydrophobicContact CB-CG2 4.21Å; I695-V700 HydrophobicContact CG2-CG2 4.02Å; P696-V700 PolarHBondContact O-N 3.13Å; R697-V700 PolarHBondContact O-N 2.97Å; V700-E702 PolarHBondContact O-N 2.95Å; V700-A703 PolarHBondContact O-N 3.12Å; V700-I704 HydrophobicContact CG1-CD1 3.87Å; V700-I704 WeakPolarHBondContact O-CB 3.35Å; V700-I704 VanDerWaalsContact O-CD1 3.32Å; V700-I704 WeakPolarHBondContact O-CD1 3.37Å; V700-I704 WeakPolarHBondContact O-CG1 3.44Å; V700-I704 PolarHBondContact O-N 2.84Å
701	E	95.4	Very high	94	Very high	35 Å²	35	48.6 Å²	48.6	16%	0.164	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-38.2	174.7	-71.8	-174.9	174.3	0	0	112.7	I618 R697 R705 I727	I618-E701 HydrophobicContact CD1-CG 3.64Å; I618-E701 HydrophobicContact CG1-CG 4.27Å; R697-E701 HydrophobicContact CG-CG 4.28Å; R697-E701 IonicContact CZ-OE1 3.92Å; R697-E701 IonicContact NE-OE1 2.75Å; R697-E701 PolarHBondContact NE-OE1 2.93Å; R697-E701 IonicContact NH2-OE1 2.7Å; R697-E701 PolarHBondContact NH2-OE1 3.32Å; R697-E701 WeakPolarHBondContact O-CG 3.4Å; R697-E701 PolarHBondContact O-N 2.91Å; E701-R705 WeakPolarHBondContact O-CB 3.33Å; E701-R705 PolarHBondContact O-N 3.06Å; E701-I727 HydrophobicContact CB-CD1 4.09Å; E701-I727 HydrophobicContact CB-CG1 4.13Å; E701-I727 HydrophobicContact CG-CD1 3.94Å; E701-I727 HydrophobicContact CG-CG1 3.82Å
702	E	93.9	Very high	94.2	Very high	92 Å²	92	48 Å²	48	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-66.4	-46.7	172.8	-74.3	-175.4	166.6	0	0	112.4	Y654 T698 E699 V700 I704 R705 I706	Y654-E702 HydrophobicContact CD2-CB 4.19Å; Y654-E702 HydrophobicContact CE2-CB 3.56Å; Y654-E702 VanDerWaalsContact CE2-OE2 3.25Å; Y654-E702 WeakPolarHBondContact CE2-OE2 3.31Å; Y654-E702 PolarHBondContact OH-OE2 2.65Å; T698-E702 WeakPolarHBondContact O-CG 3.34Å; T698-E702 PolarHBondContact O-N 3.31Å; T698-E702 VanDerWaalsContact O-N 3.11Å; E699-E702 PolarHBondContact O-N 2.85Å; V700-E702 PolarHBondContact O-N 2.95Å; E702-I704 VanDerWaalsContact C-N 3.34Å; E702-I704 PolarHBondContact O-N 2.7Å; E702-R705 WeakPolarHBondContact O-CB 3.48Å; E702-R705 PolarHBondContact O-N 2.93Å; E702-R705 VanDerWaalsContact O-N 3.13Å; E702-I706 PolarHBondContact O-N 3.49Å; E702-I706 VanDerWaalsContact O-N 3.07Å
703	A	95.6	Very high	94.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-42.6	179	0	0	0	0	0	112.4	M651 Y654 E699 V700 S707	M651-A703 HydrophobicContact SD-CB 3.53Å; M651-A703 VanDerWaalsContact SD-CB 3.53Å; Y654-A703 VanDerWaalsContact CB-CB 3.47Å; Y654-A703 HydrophobicContact CD1-CB 4.26Å; Y654-A703 HydrophobicContact CD2-CB 4.25Å; Y654-A703 HydrophobicContact CG-CB 3.77Å; E699-A703 WeakPolarHBondContact O-CB 3.33Å; E699-A703 PolarHBondContact O-N 3.43Å; V700-A703 PolarHBondContact O-N 3.12Å; A703-S707 PolarHBondContact O-N 2.72Å
704	I	96.1	Very high	94.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-45.1	173.5	-66.4	159.6	0	0	0	110.3	I618 F683 V700 E702 I706 S707 R708 F724 I727	I618-I704 HydrophobicContact CD1-CD1 3.76Å; F683-I704 HydrophobicContact CE2-CD1 4.33Å; F683-I704 HydrophobicContact CZ-CD1 3.69Å; V700-I704 HydrophobicContact CG1-CD1 3.87Å; V700-I704 WeakPolarHBondContact O-CB 3.35Å; V700-I704 VanDerWaalsContact O-CD1 3.32Å; V700-I704 WeakPolarHBondContact O-CD1 3.37Å; V700-I704 WeakPolarHBondContact O-CG1 3.44Å; V700-I704 PolarHBondContact O-N 2.84Å; E702-I704 VanDerWaalsContact C-N 3.34Å; E702-I704 PolarHBondContact O-N 2.7Å; I704-I706 VanDerWaalsContact C-N 3.3Å; I704-I706 PolarHBondContact O-N 2.75Å; I704-S707 CarbonylContact O-C 3.56Å; I704-S707 PolarHBondContact O-N 2.74Å; I704-S707 VanDerWaalsContact O-N 3.09Å; I704-R708 WeakPolarHBondContact O-CA 3.4Å; I704-R708 WeakPolarHBondContact O-CB 3.43Å; I704-R708 PolarHBondContact O-N 3.16Å; I704-F724 HydrophobicContact CD1-CD1 4.07Å; I704-F724 HydrophobicContact CD1-CE1 4.1Å; I704-F724 HydrophobicContact CG2-CD1 4.17Å; I704-F724 HydrophobicContact CG2-CD2 4.07Å; I704-F724 HydrophobicContact CG2-CE1 4.11Å; I704-F724 HydrophobicContact CG2-CE2 4.01Å; I704-F724 HydrophobicContact CG2-CG 4.15Å; I704-F724 HydrophobicContact CG2-CZ 4.04Å; I704-I727 HydrophobicContact CB-CD1 3.79Å; I704-I727 HydrophobicContact CD1-CD1 3.8Å; I704-I727 HydrophobicContact CG1-CD1 4.44Å; I704-I727 HydrophobicContact CG2-CD1 3.65Å
705	R	92.9	Very high	94.7	Very high	119 Å²	119	49 Å²	49	45%	0.449	25%	0.25	S	C	.	.	H	α-helix	trans	-57.5	-40.6	180	-178.5	179.6	-75.2	134.8	-1.8	112.3	E701 E702 I727	E701-R705 WeakPolarHBondContact O-CB 3.33Å; E701-R705 PolarHBondContact O-N 3.06Å; E702-R705 WeakPolarHBondContact O-CB 3.48Å; E702-R705 PolarHBondContact O-N 2.93Å; E702-R705 VanDerWaalsContact O-N 3.13Å; R705-I727 HydrophobicContact CB-CG2 4.46Å
706	I	91.6	Very high	94.5	Very high	82 Å²	82	57.7 Å²	57.7	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-43.3	176	-65.8	170.5	0	0	0	111.2	Y654 I658 E702 I704	Y654-I706 HydrophobicContact CD2-CD1 3.88Å; I658-I706 HydrophobicContact CD1-CD1 4.06Å; I658-I706 HydrophobicContact CG1-CD1 3.8Å; E702-I706 PolarHBondContact O-N 3.49Å; E702-I706 VanDerWaalsContact O-N 3.07Å; I704-I706 VanDerWaalsContact C-N 3.3Å; I704-I706 PolarHBondContact O-N 2.75Å
707	S	94.7	Very high	94.4	Very high	8 Å²	8	55.6 Å²	55.6	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-93.3	-1.6	-173.1	-60.7	0	0	0	0	114.9	A650 A703 I704 S709 R710 I711	A650-S707 WeakPolarHBondContact CA-OG 3.39Å; A650-S707 VanDerWaalsContact CB-CB 3.48Å; A650-S707 WeakPolarHBondContact CB-OG 3.16Å; A703-S707 PolarHBondContact O-N 2.72Å; I704-S707 CarbonylContact O-C 3.56Å; I704-S707 PolarHBondContact O-N 2.74Å; I704-S707 VanDerWaalsContact O-N 3.09Å; S707-S709 PolarHBondContact O-N 2.84Å; S707-R710 WeakPolarHBondContact O-CA 3.47Å; S707-R710 WeakPolarHBondContact O-CB 3.47Å; S707-R710 PolarHBondContact O-N 2.76Å; S707-I711 PolarHBondContact O-N 2.96Å; S707-I711 VanDerWaalsContact O-N 3.08Å
708	R	92.9	Very high	94.1	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-44.2	-164.7	-165.8	173.2	179.1	156.5	5.7	113.8	I704 R710 I711 N712 D719 L722 I727 E728 T730	I704-R708 WeakPolarHBondContact O-CA 3.4Å; I704-R708 WeakPolarHBondContact O-CB 3.43Å; I704-R708 PolarHBondContact O-N 3.16Å; R708-R710 VanDerWaalsContact C-N 3.32Å; R708-R710 PolarHBondContact O-N 2.85Å; R708-I711 PolarHBondContact O-N 2.88Å; R708-N712 WeakPolarHBondContact O-CB 3.49Å; R708-N712 VanDerWaalsContact O-CG 3.28Å; R708-N712 PolarHBondContact O-N 3.44Å; R708-D719 VanDerWaalsContact CD-OD1 3.31Å; R708-D719 WeakPolarHBondContact CD-OD1 3.38Å; R708-D719 IonicContact CZ-OD1 3.51Å; R708-D719 IonicContact NE-OD1 2.74Å; R708-D719 PolarHBondContact NE-OD1 2.87Å; R708-D719 PolarHBondContact NH2-O 3Å; R708-D719 IonicContact NH2-OD1 3.79Å; R708-L722 PolarHBondContact NH2-O 3.27Å; R708-L722 VanDerWaalsContact NH2-O 3.16Å; R708-I727 PolarHBondContact NH1-O 3.11Å; R708-E728 PolarHBondContact NH1-O 3.13Å; R708-T730 HydrophobicContact CB-CG2 4Å; R708-T730 HydrophobicContact CG-CG2 4.49Å
709	S	92	Very high	93.8	Very high	72 Å²	72	51.8 Å²	51.8	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-57.2	-45.4	175.5	-169.5	0	0	0	0	111.6	S707 I711 N712 D713	S707-S709 PolarHBondContact O-N 2.84Å; S709-I711 VanDerWaalsContact C-N 3.34Å; S709-I711 PolarHBondContact O-N 3.23Å; S709-N712 WeakPolarHBondContact O-CB 3.47Å; S709-N712 PolarHBondContact O-N 3.2Å; S709-D713 WeakPolarHBondContact O-CB 3.33Å; S709-D713 PolarHBondContact O-N 3.29Å; S709-D713 PolarHBondContact OG-OD2 3.39Å
710	R	94.4	Very high	93.4	Very high	154 Å²	154	54.8 Å²	54.8	58%	0.581	27%	0.266	S	S	*	.	H	α-helix	trans	-70.5	-30.3	-177	-171.8	169.4	177.4	164.3	2.3	112.8	Y649 S707 R708 A714	Y649-R710 PolarHBondContact OH-NH1 3.08Å; S707-R710 WeakPolarHBondContact O-CA 3.47Å; S707-R710 WeakPolarHBondContact O-CB 3.47Å; S707-R710 PolarHBondContact O-N 2.76Å; R708-R710 VanDerWaalsContact C-N 3.32Å; R708-R710 PolarHBondContact O-N 2.85Å; R710-A714 PolarHBondContact O-N 2.91Å
711	I	95.3	Very high	93.1	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-69.6	-47.4	170.8	-57.4	170.2	0	0	0	109.6	A650 S707 R708 S709 D713 A714 F715 L722 F724	A650-I711 HydrophobicContact CB-CD1 4.36Å; S707-I711 PolarHBondContact O-N 2.96Å; S707-I711 VanDerWaalsContact O-N 3.08Å; R708-I711 PolarHBondContact O-N 2.88Å; S709-I711 VanDerWaalsContact C-N 3.34Å; S709-I711 PolarHBondContact O-N 3.23Å; I711-D713 VanDerWaalsContact C-N 3.35Å; I711-D713 PolarHBondContact O-N 2.91Å; I711-A714 PolarHBondContact O-N 3.04Å; I711-F715 HydrophobicContact CG2-CD2 4.32Å; I711-F715 HydrophobicContact CG2-CE2 4.32Å; I711-F715 WeakPolarHBondContact O-CD2 3.34Å; I711-F715 PolarHBondContact O-N 3.3Å; I711-L722 HydrophobicContact CG2-CD2 3.8Å; I711-F724 HydrophobicContact CG2-CZ 4.46Å
712	N	94	Very high	93	Very high	9 Å²	9	53.2 Å²	53.2	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-47.5	175.2	-73.7	-18.3	0	0	0	111.9	R708 S709 A714 F715 R716 L717 D719	R708-N712 WeakPolarHBondContact O-CB 3.49Å; R708-N712 VanDerWaalsContact O-CG 3.28Å; R708-N712 PolarHBondContact O-N 3.44Å; S709-N712 WeakPolarHBondContact O-CB 3.47Å; S709-N712 PolarHBondContact O-N 3.2Å; N712-A714 VanDerWaalsContact C-N 3.34Å; N712-A714 PolarHBondContact O-N 3.33Å; N712-F715 PolarHBondContact O-N 3.42Å; N712-R716 PolarHBondContact O-N 3.46Å; N712-L717 PolarHBondContact O-N 3.41Å; N712-D719 PolarHBondContact ND2-OD1 3.27Å
713	D	94	Very high	93	Very high	110 Å²	110	51.8 Å²	51.8	59%	0.588	25%	0.252	S	S	*	.	H	α-helix	trans	-60	-40.8	-179	-70.9	-40	0	0	0	112.2	S709 I711 F715 R716	S709-D713 WeakPolarHBondContact O-CB 3.33Å; S709-D713 PolarHBondContact O-N 3.29Å; S709-D713 PolarHBondContact OG-OD2 3.39Å; I711-D713 VanDerWaalsContact C-N 3.35Å; I711-D713 PolarHBondContact O-N 2.91Å; D713-F715 VanDerWaalsContact C-N 3.32Å; D713-F715 PolarHBondContact O-N 3.09Å; D713-R716 PolarHBondContact O-N 3.09Å
714	A	94.9	Very high	92.8	Very high	52 Å²	52	52 Å²	52	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-41.5	178.7	0	0	0	0	0	112.4	R710 I711 N712	R710-A714 PolarHBondContact O-N 2.91Å; I711-A714 PolarHBondContact O-N 3.04Å; N712-A714 VanDerWaalsContact C-N 3.34Å; N712-A714 PolarHBondContact O-N 3.33Å
715	F	95.4	Very high	92.5	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.013	27%	0.266	C	S	.	.	H	α-helix	trans	-91.4	-2.8	179.5	-66.5	-67.1	0	0	0	114.2	Y633 W635 E639 L642 F643 I711 N712 D713 L717	Y633-F715 WeakPolarHBondContact OH-CB 3.47Å; Y633-F715 WeakPolarHBondContact OH-CD1 3.46Å; Y633-F715 PolarHBondContact OH-O 3.03Å; Y633-F715 VanDerWaalsContact OH-O 3.09Å; W635-F715 HydrophobicContact CH2-CD1 4.1Å; W635-F715 AromaticContact CH2-CE1 3.74Å; W635-F715 HydrophobicContact CH2-CE1 3.74Å; W635-F715 HydrophobicContact CH2-CZ 4.06Å; W635-F715 AromaticContact CZ3-CD1 3.76Å; W635-F715 HydrophobicContact CZ3-CD1 3.76Å; W635-F715 AromaticContact CZ3-CE1 3.83Å; W635-F715 HydrophobicContact CZ3-CE1 3.83Å; W635-F715 HydrophobicContact CZ3-CG 4.41Å; E639-F715 WeakPolarHBondContact OE2-CE1 3.48Å; L642-F715 HydrophobicContact CB-CE1 4.3Å; L642-F715 HydrophobicContact CB-CZ 4.16Å; L642-F715 HydrophobicContact CD2-CE1 3.87Å; L642-F715 HydrophobicContact CD2-CZ 4.16Å; L642-F715 HydrophobicContact CG-CE1 4.04Å; L642-F715 HydrophobicContact CG-CZ 3.84Å; F643-F715 HydrophobicContact CB-CE2 4.29Å; F643-F715 HydrophobicContact CB-CZ 3.82Å; F643-F715 HydrophobicContact CD2-CE2 4.17Å; F643-F715 HydrophobicContact CD2-CZ 4.48Å; I711-F715 HydrophobicContact CG2-CD2 4.32Å; I711-F715 HydrophobicContact CG2-CE2 4.32Å; I711-F715 WeakPolarHBondContact O-CD2 3.34Å; I711-F715 PolarHBondContact O-N 3.3Å; N712-F715 PolarHBondContact O-N 3.42Å; D713-F715 VanDerWaalsContact C-N 3.32Å; D713-F715 PolarHBondContact O-N 3.09Å; F715-L717 VanDerWaalsContact C-N 3.25Å; F715-L717 HydrophobicContact CB-CB 4.44Å; F715-L717 HydrophobicContact CB-CD1 3.79Å; F715-L717 HydrophobicContact CB-CG 3.81Å; F715-L717 PolarHBondContact O-N 2.97Å
716	R	94.1	Very high	92	Very high	194 Å²	194	51.6 Å²	51.6	73%	0.732	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	36.1	-172.3	-49.6	176.1	-176.2	157.6	3.9	112.9	L628 N712 D713	L628-R716 HydrophobicContact CD2-CB 4.23Å; N712-R716 PolarHBondContact O-N 3.46Å; D713-R716 PolarHBondContact O-N 3.09Å
717	L	93.3	Very high	91.7	Very high	14 Å²	14	48 Å²	48	7%	0.073	26%	0.255	C	S	.	.			trans	-108	-176.2	180	-60	-179.9	0	0	0	110.9	I622 L624 A627 N712 F715 L722	I622-L717 HydrophobicContact CG2-CD1 3.58Å; L624-L717 HydrophobicContact CD2-CD1 4.09Å; L624-L717 HydrophobicContact CD2-CD2 3.94Å; A627-L717 HydrophobicContact CB-CD2 3.6Å; N712-L717 PolarHBondContact O-N 3.41Å; F715-L717 VanDerWaalsContact C-N 3.25Å; F715-L717 HydrophobicContact CB-CB 4.44Å; F715-L717 HydrophobicContact CB-CD1 3.79Å; F715-L717 HydrophobicContact CB-CG 3.81Å; F715-L717 PolarHBondContact O-N 2.97Å; L717-L722 HydrophobicContact CB-CB 4.07Å; L717-L722 HydrophobicContact CD1-CB 3.95Å
718	N	89.8	Confident	90.9	Very high	77 Å²	77	54.2 Å²	54.2	41%	0.412	28%	0.283	S	S	.	.			trans	-146	174	173.9	59.9	58.1	0	0	0	109.2	N720 S721 L722	N718-N720 PolarHBondContact O-N 3.2Å; N718-N720 WeakPolarHBondContact OD1-CB 3.45Å; N718-N720 PolarHBondContact OD1-N 3.2Å; N718-N720 VanDerWaalsContact OD1-N 3.09Å; N718-S721 PolarHBondContact N-OG 3.41Å; N718-S721 CarbonylContact O-C 3.58Å; N718-S721 PolarHBondContact O-N 3.15Å; N718-S721 PolarHBondContact O-OG 3.39Å; N718-S721 VanDerWaalsContact O-OG 3.12Å; N718-S721 PolarHBondContact OD1-N 3.12Å; N718-S721 PolarHBondContact OD1-OG 2.83Å; N718-L722 PolarHBondContact O-N 2.95Å
719	D	87.3	Confident	89.9	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.048	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-17.8	-173.2	-65.5	-21.5	0	0	0	115.6	R708 N712 P729 T730	R708-D719 VanDerWaalsContact CD-OD1 3.31Å; R708-D719 WeakPolarHBondContact CD-OD1 3.38Å; R708-D719 IonicContact CZ-OD1 3.51Å; R708-D719 IonicContact NE-OD1 2.74Å; R708-D719 PolarHBondContact NE-OD1 2.87Å; R708-D719 PolarHBondContact NH2-O 3Å; R708-D719 IonicContact NH2-OD1 3.79Å; N712-D719 PolarHBondContact ND2-OD1 3.27Å; D719-P729 HydrophobicContact CB-CB 3.82Å; D719-P729 HydrophobicContact CB-CG 4.37Å; D719-T730 WeakPolarHBondContact OD2-CA 3.43Å; D719-T730 PolarHBondContact OD2-N 3Å; D719-T730 PolarHBondContact OD2-OG1 3.38Å
720	N	87.1	Confident	88.7	Confident	110 Å²	110	56.7 Å²	56.7	59%	0.588	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-6.8	175.6	-56.9	-28.8	0	0	0	113.2	N718	N718-N720 PolarHBondContact O-N 3.2Å; N718-N720 WeakPolarHBondContact OD1-CB 3.45Å; N718-N720 PolarHBondContact OD1-N 3.2Å; N718-N720 VanDerWaalsContact OD1-N 3.09Å
721	S	90.9	Very high	87	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.028	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-12.8	-179	51.9	0	0	0	0	113.9	I622 S623 N718	I622-S721 WeakPolarHBondContact CA-O 3.32Å; S623-S721 PolarHBondContact N-O 3.47Å; N718-S721 PolarHBondContact N-OG 3.41Å; N718-S721 CarbonylContact O-C 3.58Å; N718-S721 PolarHBondContact O-N 3.15Å; N718-S721 PolarHBondContact O-OG 3.39Å; N718-S721 VanDerWaalsContact O-OG 3.12Å; N718-S721 PolarHBondContact OD1-N 3.12Å; N718-S721 PolarHBondContact OD1-OG 2.83Å
722	L	92.9	Very high	85.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	91.6	160.2	-177.4	56.7	0	0	0	108.5	V620 I622 R708 I711 L717 N718 F724	V620-L722 HydrophobicContact CG1-CD1 3.77Å; I622-L722 HydrophobicContact CD1-CD1 3.96Å; I622-L722 HydrophobicContact CG1-CD1 3.79Å; R708-L722 PolarHBondContact NH2-O 3.27Å; R708-L722 VanDerWaalsContact NH2-O 3.16Å; I711-L722 HydrophobicContact CG2-CD2 3.8Å; L717-L722 HydrophobicContact CB-CB 4.07Å; L717-L722 HydrophobicContact CD1-CB 3.95Å; N718-L722 PolarHBondContact O-N 2.95Å; L722-F724 HydrophobicContact CD1-CE2 4.38Å; L722-F724 HydrophobicContact CD2-CE2 3.94Å; L722-F724 HydrophobicContact CD2-CZ 4.31Å; L722-F724 HydrophobicContact CG-CD2 4.41Å; L722-F724 HydrophobicContact CG-CE2 3.77Å; L722-F724 HydrophobicContact CG-CZ 4.35Å
723	E	92.8	Very high	83.1	Confident	62 Å²	62	63.7 Å²	63.7	29%	0.29	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.8	179	-64.6	175.1	-155.3	0	0	110.3	V620 R621 L725	V620-E723 CarbonylContact C-O 3.56Å; V620-E723 VanDerWaalsContact CA-O 3.31Å; V620-E723 WeakPolarHBondContact CA-O 3.36Å; R621-E723 HydrophobicContact CB-CB 4.23Å; R621-E723 WeakPolarHBondContact CD-OE2 3.47Å; R621-E723 IonicContact CZ-OE2 3.36Å; R621-E723 PolarHBondContact N-O 3.44Å; R621-E723 IonicContact NE-OE2 2.92Å; R621-E723 IonicContact NH1-OE2 2.95Å; R621-E723 PolarHBondContact NH1-OE2 2.9Å; R621-E723 PolarHBondContact O-N 2.9Å; E723-L725 HydrophobicContact CB-CD1 4.23Å
724	F	92.8	Very high	81.4	Confident	5 Å²	5	64 Å²	64	2%	0.022	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.6	162.7	-65.3	-94.9	0	0	0	108.2	I618 V620 F643 F683 I704 I711 L722 G726 I727	I618-F724 HydrophobicContact CG2-CB 4.32Å; I618-F724 HydrophobicContact CG2-CD1 4.19Å; V620-F724 HydrophobicContact CG2-CD1 3.99Å; V620-F724 HydrophobicContact CG2-CE1 4.06Å; F643-F724 HydrophobicContact CE2-CE1 4.2Å; F643-F724 HydrophobicContact CE2-CZ 4.07Å; F643-F724 AromaticContact CZ-CE1 3.99Å; F643-F724 HydrophobicContact CZ-CE1 3.99Å; F643-F724 HydrophobicContact CZ-CZ 4.31Å; F683-F724 HydrophobicContact CE1-CD1 4.01Å; F683-F724 AromaticContact CE1-CE1 3.9Å; F683-F724 HydrophobicContact CE1-CE1 3.9Å; F683-F724 HydrophobicContact CZ-CD1 4.21Å; F683-F724 AromaticContact CZ-CE1 3.95Å; F683-F724 HydrophobicContact CZ-CE1 3.95Å; I704-F724 HydrophobicContact CD1-CD1 4.07Å; I704-F724 HydrophobicContact CD1-CE1 4.1Å; I704-F724 HydrophobicContact CG2-CD1 4.17Å; I704-F724 HydrophobicContact CG2-CD2 4.07Å; I704-F724 HydrophobicContact CG2-CE1 4.11Å; I704-F724 HydrophobicContact CG2-CE2 4.01Å; I704-F724 HydrophobicContact CG2-CG 4.15Å; I704-F724 HydrophobicContact CG2-CZ 4.04Å; I711-F724 HydrophobicContact CG2-CZ 4.46Å; L722-F724 HydrophobicContact CD1-CE2 4.38Å; L722-F724 HydrophobicContact CD2-CE2 3.94Å; L722-F724 HydrophobicContact CD2-CZ 4.31Å; L722-F724 HydrophobicContact CG-CD2 4.41Å; L722-F724 HydrophobicContact CG-CE2 3.77Å; L722-F724 HydrophobicContact CG-CZ 4.35Å; F724-G726 PolarHBondContact O-N 3.39Å; F724-I727 HydrophobicContact CB-CB 4.03Å; F724-I727 HydrophobicContact CB-CD1 3.73Å; F724-I727 HydrophobicContact CB-CG1 3.94Å; F724-I727 HydrophobicContact CD1-CD1 4.49Å; F724-I727 HydrophobicContact CG-CD1 4.22Å; F724-I727 PolarHBondContact O-N 3.32Å
725	L	89.4	Confident	79.5	Confident	53 Å²	53	70.9 Å²	70.9	28%	0.277	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	112.4	-171	-82.1	70.1	0	0	0	111.6	K619 R621 R697 E723	K619-L725 HydrophobicContact CB-CB 4.2Å; K619-L725 HydrophobicContact CB-CD2 4.31Å; K619-L725 HydrophobicContact CD-CD2 4.23Å; K619-L725 HydrophobicContact CG-CD1 4.48Å; K619-L725 HydrophobicContact CG-CD2 4.27Å; K619-L725 WeakPolarHBondContact O-CD1 3.49Å; K619-L725 PolarHBondContact O-N 2.91Å; R621-L725 HydrophobicContact CG-CD1 3.93Å; R697-L725 PolarHBondContact NH2-O 3.24Å; E723-L725 HydrophobicContact CB-CD1 4.23Å
726	G	82.9	Confident	77.6	Confident	57 Å²	57	79.3 Å²	79.3	59%	0.588	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	114	-21.1	-173.6	0	0	0	0	0	112.8	F724	F724-G726 PolarHBondContact O-N 3.39Å
727	I	85.4	Confident	75.6	Confident	8 Å²	8	72.8 Å²	72.8	4%	0.041	41%	0.411	C	S	.	.			trans	-98.3	110.2	179.3	-46	-176.6	0	0	0	109.6	E701 I704 R705 R708 F724	E701-I727 HydrophobicContact CB-CD1 4.09Å; E701-I727 HydrophobicContact CB-CG1 4.13Å; E701-I727 HydrophobicContact CG-CD1 3.94Å; E701-I727 HydrophobicContact CG-CG1 3.82Å; I704-I727 HydrophobicContact CB-CD1 3.79Å; I704-I727 HydrophobicContact CD1-CD1 3.8Å; I704-I727 HydrophobicContact CG1-CD1 4.44Å; I704-I727 HydrophobicContact CG2-CD1 3.65Å; R705-I727 HydrophobicContact CB-CG2 4.46Å; R708-I727 PolarHBondContact NH1-O 3.11Å; F724-I727 HydrophobicContact CB-CB 4.03Å; F724-I727 HydrophobicContact CB-CD1 3.73Å; F724-I727 HydrophobicContact CB-CG1 3.94Å; F724-I727 HydrophobicContact CD1-CD1 4.49Å; F724-I727 HydrophobicContact CG-CD1 4.22Å; F724-I727 PolarHBondContact O-N 3.32Å
728	E	77.6	Confident	74.3	Confident	138 Å²	138	77.4 Å²	77.4	65%	0.645	44%	0.442	S	S	*	.			trans	-54.6	146.1	173.9	-69.2	-61.6	161.1	0	0	113	R708	R708-E728 PolarHBondContact NH1-O 3.13Å
729	P	72.3	Confident	73.1	Confident	60 Å²	60	77.4 Å²	77.4	39%	0.39	44%	0.444	S	S	.	.			trans	-55.5	152	173.8	-27.6	37	0	0	0	114.1	D719 L731	D719-P729 HydrophobicContact CB-CB 3.82Å; D719-P729 HydrophobicContact CB-CG 4.37Å; P729-L731 VanDerWaalsContact C-N 3.3Å; P729-L731 HydrophobicContact CB-CB 4.4Å; P729-L731 HydrophobicContact CB-CD1 4.45Å; P729-L731 HydrophobicContact CB-CG 4.28Å
730	T	66.5	Low	72.6	Confident	68 Å²	68	80.9 Å²	80.9	42%	0.417	47%	0.466	S	S	.	.			trans	-86.8	3.6	171.5	50.1	0	0	0	0	113.7	R708 D719 A732	R708-T730 HydrophobicContact CB-CG2 4Å; R708-T730 HydrophobicContact CG-CG2 4.49Å; D719-T730 WeakPolarHBondContact OD2-CA 3.43Å; D719-T730 PolarHBondContact OD2-N 3Å; D719-T730 PolarHBondContact OD2-OG1 3.38Å; T730-A732 PolarHBondContact O-N 3.1Å
731	L	58.7	Low	72	Confident	116 Å²	116	80 Å²	80	61%	0.607	47%	0.465	S	S	*	.			trans	-59	109.4	177.8	-68	175.9	0	0	0	111.5	P729	P729-L731 VanDerWaalsContact C-N 3.3Å; P729-L731 HydrophobicContact CB-CB 4.4Å; P729-L731 HydrophobicContact CB-CD1 4.45Å; P729-L731 HydrophobicContact CB-CG 4.28Å
732	A	55.5	Low	71.3	Confident	82 Å²	82	87.4 Å²	87.4	68%	0.678	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-56.9	148.2	165.4	0	0	0	0	0	110.4	T730	T730-A732 PolarHBondContact O-N 3.1Å
733	P	51.9	Low	70.7	Confident	116 Å²	116	91.8 Å²	91.8	75%	0.753	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-55.8	142.4	174.5	24.4	-34.2	0	0	0	110.3	Y735	P733-Y735 PolarHBondContact O-N 3.13Å
734	P	57.7	Low	70.1	Confident	117 Å²	117	93.3 Å²	93.3	76%	0.76	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-57.6	132.6	-172.5	23.2	-34.1	0	0	0	110.8	Q736	P734-Q736 PolarHBondContact O-N 2.89Å
735	Y	55.1	Low	69.6	Low	195 Å²	195	97.2 Å²	97.2	77%	0.765	55%	0.548	S	S	*	.			trans	-52.2	103.4	-173.4	176.1	-98.9	0	0	0	111.9	P733 S737 P738	P733-Y735 PolarHBondContact O-N 3.13Å; Y735-S737 PolarHBondContact O-N 3.01Å; Y735-P738 VanDerWaalsContact OH-CD 3.26Å; Y735-P738 WeakPolarHBondContact OH-CD 3.26Å
736	Q	54.9	Low	69.4	Low	180 Å²	180	99 Å²	99	84%	0.841	55%	0.554	S	S	*	*			trans	-73.3	114.2	166.5	-70.8	-169.8	-8.1	0	0	107.8	P734	P734-Q736 PolarHBondContact O-N 2.89Å
737	S	52	Low	69.4	Low	57 Å²	57	98.4 Å²	98.4	40%	0.399	55%	0.547	S	S	.	.			trans	-53.6	128.5	171.9	174.3	0	0	0	0	109.7	Y735 V739	Y735-S737 PolarHBondContact O-N 3.01Å; S737-V739 WeakPolarHBondContact CB-O 3.37Å; S737-V739 PolarHBondContact O-N 3.3Å; S737-V739 PolarHBondContact OG-N 3.07Å; S737-V739 PolarHBondContact OG-O 2.71Å
738	P	66	Low	69.5	Low	112 Å²	112	102.4 Å²	102.4	73%	0.727	57%	0.572	S	S	*	*	S	Bend	trans	-65.5	-8.8	-179.8	27.9	-35.9	0	0	0	113	Y735	Y735-P738 VanDerWaalsContact OH-CD 3.26Å; Y735-P738 WeakPolarHBondContact OH-CD 3.26Å
739	V	66.3	Low	70.1	Confident	77 Å²	77	99.3 Å²	99.3	47%	0.467	56%	0.563	S	S	.	*	S	Bend	trans	-122.8	125.4	165.8	-166	0	0	0	0	108.9	S737 T741 I744	S737-V739 WeakPolarHBondContact CB-O 3.37Å; S737-V739 PolarHBondContact O-N 3.3Å; S737-V739 PolarHBondContact OG-N 3.07Å; S737-V739 PolarHBondContact OG-O 2.71Å; V739-T741 PolarHBondContact O-N 3.13Å; V739-T741 VanDerWaalsContact O-N 3.13Å; V739-I744 HydrophobicContact CB-CD1 4.12Å; V739-I744 HydrophobicContact CG1-CD1 3.71Å; V739-I744 HydrophobicContact CG1-CG1 3.66Å
740	T	75.4	Confident	70.8	Confident	82 Å²	82	100.4 Å²	100.4	50%	0.503	56%	0.563	S	S	.	*			trans	-64.9	112.3	176.7	-32.6	0	0	0	0	109.3	W742 L743	T740-W742 PolarHBondContact O-N 3.45Å; T740-W742 VanDerWaalsContact O-N 3.07Å; T740-L743 WeakPolarHBondContact O-CB 3.24Å; T740-L743 PolarHBondContact O-N 2.8Å
741	T	74.1	Confident	71.8	Confident	92 Å²	92	99.2 Å²	99.2	56%	0.564	56%	0.564	S	S	*	*	H	α-helix	trans	-55.9	-34.5	-170.9	-39	0	0	0	0	113	V739 L743 I744 V745	V739-T741 PolarHBondContact O-N 3.13Å; V739-T741 VanDerWaalsContact O-N 3.13Å; T741-L743 VanDerWaalsContact C-N 3.33Å; T741-L743 PolarHBondContact O-N 3.25Å; T741-I744 PolarHBondContact O-N 3.14Å; T741-V745 PolarHBondContact O-N 2.86Å; T741-V745 VanDerWaalsContact O-N 3.14Å
742	W	78.1	Confident	73.2	Confident	159 Å²	159	98.4 Å²	98.4	60%	0.602	56%	0.564	S	S	*	*	H	α-helix	trans	-60.2	-36.6	174.8	122.6	-96.9	0	0	0	113	T740 V745 F746	T740-W742 PolarHBondContact O-N 3.45Å; T740-W742 VanDerWaalsContact O-N 3.07Å; W742-V745 PolarHBondContact O-N 3.4Å; W742-F746 HydrophobicContact CD2-CB 4.5Å; W742-F746 HydrophobicContact CE3-CB 3.99Å; W742-F746 HydrophobicContact CH2-CB 4.11Å; W742-F746 AromaticContact CH2-CD2 3.58Å; W742-F746 HydrophobicContact CH2-CD2 3.58Å; W742-F746 HydrophobicContact CH2-CE2 4.16Å; W742-F746 AromaticContact CH2-CG 3.89Å; W742-F746 HydrophobicContact CH2-CG 3.89Å; W742-F746 HydrophobicContact CZ2-CG 4.48Å; W742-F746 HydrophobicContact CZ3-CB 3.79Å; W742-F746 AromaticContact CZ3-CD2 3.68Å; W742-F746 HydrophobicContact CZ3-CD2 3.68Å; W742-F746 AromaticContact CZ3-CG 3.99Å; W742-F746 HydrophobicContact CZ3-CG 3.99Å; W742-F746 VanDerWaalsContact O-CB 3.24Å; W742-F746 WeakPolarHBondContact O-CB 3.45Å; W742-F746 PolarHBondContact O-N 3.35Å
743	L	78.4	Confident	74.7	Confident	91 Å²	91	98.3 Å²	98.3	48%	0.476	55%	0.551	S	S	.	*	H	α-helix	trans	-70.1	-32.4	178.3	-77.8	172.6	0	0	0	112.3	T740 T741 G747	T740-L743 WeakPolarHBondContact O-CB 3.24Å; T740-L743 PolarHBondContact O-N 2.8Å; T741-L743 VanDerWaalsContact C-N 3.33Å; T741-L743 PolarHBondContact O-N 3.25Å; L743-G747 PolarHBondContact O-N 2.88Å
744	I	80.1	Confident	76.4	Confident	94 Å²	94	96.7 Å²	96.7	48%	0.482	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-49.2	172.2	-58.6	171.8	0	0	0	109.4	V739 T741 F746 G747 V748	V739-I744 HydrophobicContact CB-CD1 4.12Å; V739-I744 HydrophobicContact CG1-CD1 3.71Å; V739-I744 HydrophobicContact CG1-CG1 3.66Å; T741-I744 PolarHBondContact O-N 3.14Å; I744-F746 PolarHBondContact O-N 3.38Å; I744-G747 PolarHBondContact O-N 3.36Å; I744-V748 WeakPolarHBondContact O-CG2 3.34Å; I744-V748 PolarHBondContact O-N 3.27Å
745	V	82.6	Confident	77.7	Confident	88 Å²	88	93.7 Å²	93.7	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-61	-45.2	178.5	175.6	0	0	0	0	111	T741 W742 V748 V749	T741-V745 PolarHBondContact O-N 2.86Å; T741-V745 VanDerWaalsContact O-N 3.14Å; W742-V745 PolarHBondContact O-N 3.4Å; V745-V748 PolarHBondContact O-N 2.87Å; V745-V749 HydrophobicContact CG1-CG2 4.32Å; V745-V749 WeakPolarHBondContact O-CB 3.37Å; V745-V749 VanDerWaalsContact O-CG2 3.27Å; V745-V749 WeakPolarHBondContact O-CG2 3.27Å; V745-V749 PolarHBondContact O-N 2.82Å
746	F	85.1	Confident	79.1	Confident	91 Å²	91	85.9 Å²	85.9	40%	0.399	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-45.3	175.2	178.5	-100.6	0	0	0	112.1	W742 I744 V748 V749 M750	W742-F746 HydrophobicContact CD2-CB 4.5Å; W742-F746 HydrophobicContact CE3-CB 3.99Å; W742-F746 HydrophobicContact CH2-CB 4.11Å; W742-F746 AromaticContact CH2-CD2 3.58Å; W742-F746 HydrophobicContact CH2-CD2 3.58Å; W742-F746 HydrophobicContact CH2-CE2 4.16Å; W742-F746 AromaticContact CH2-CG 3.89Å; W742-F746 HydrophobicContact CH2-CG 3.89Å; W742-F746 HydrophobicContact CZ2-CG 4.48Å; W742-F746 HydrophobicContact CZ3-CB 3.79Å; W742-F746 AromaticContact CZ3-CD2 3.68Å; W742-F746 HydrophobicContact CZ3-CD2 3.68Å; W742-F746 AromaticContact CZ3-CG 3.99Å; W742-F746 HydrophobicContact CZ3-CG 3.99Å; W742-F746 VanDerWaalsContact O-CB 3.24Å; W742-F746 WeakPolarHBondContact O-CB 3.45Å; W742-F746 PolarHBondContact O-N 3.35Å; I744-F746 PolarHBondContact O-N 3.38Å; F746-V748 PolarHBondContact O-N 3.48Å; F746-V749 PolarHBondContact O-N 3.47Å; F746-M750 HydrophobicContact CD1-CG 4.32Å; F746-M750 HydrophobicContact CD2-CG 4.06Å; F746-M750 HydrophobicContact CE1-CG 3.99Å; F746-M750 HydrophobicContact CE2-CG 3.7Å; F746-M750 HydrophobicContact CE2-SD 4.26Å; F746-M750 HydrophobicContact CG-CG 4.36Å; F746-M750 HydrophobicContact CZ-CE 4.24Å; F746-M750 HydrophobicContact CZ-CG 3.66Å; F746-M750 HydrophobicContact CZ-SD 4.37Å; F746-M750 VanDerWaalsContact O-CB 3.32Å; F746-M750 WeakPolarHBondContact O-CB 3.32Å; F746-M750 WeakPolarHBondContact O-CG 3.38Å; F746-M750 PolarHBondContact O-N 2.94Å
747	G	84.5	Confident	80.5	Confident	43 Å²	43	81.5 Å²	81.5	44%	0.443	48%	0.484	S	S	.	.	H	α-helix	trans	-61.8	-41.5	177	0	0	0	0	0	113	L743 I744 G751	L743-G747 PolarHBondContact O-N 2.88Å; I744-G747 PolarHBondContact O-N 3.36Å; G747-G751 PolarHBondContact O-N 2.92Å
748	V	87.8	Confident	82	Confident	93 Å²	93	82.3 Å²	82.3	56%	0.564	49%	0.487	S	S	*	.	H	α-helix	trans	-67.2	-47	175	172.2	0	0	0	0	111.2	I744 V745 F746 G751 V752	I744-V748 WeakPolarHBondContact O-CG2 3.34Å; I744-V748 PolarHBondContact O-N 3.27Å; V745-V748 PolarHBondContact O-N 2.87Å; F746-V748 PolarHBondContact O-N 3.48Å; V748-G751 PolarHBondContact O-N 3.29Å; V748-V752 WeakPolarHBondContact O-CG2 3.28Å; V748-V752 PolarHBondContact O-N 2.9Å
749	V	88.3	Confident	82.8	Confident	73 Å²	73	81.3 Å²	81.3	44%	0.442	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-46.9	179.3	168.1	0	0	0	0	111.2	V745 F746 G751 V752 I753	V745-V749 HydrophobicContact CG1-CG2 4.32Å; V745-V749 WeakPolarHBondContact O-CB 3.37Å; V745-V749 VanDerWaalsContact O-CG2 3.27Å; V745-V749 WeakPolarHBondContact O-CG2 3.27Å; V745-V749 PolarHBondContact O-N 2.82Å; F746-V749 PolarHBondContact O-N 3.47Å; V749-G751 VanDerWaalsContact C-N 3.35Å; V749-G751 PolarHBondContact O-N 3.37Å; V749-V752 PolarHBondContact O-N 2.84Å; V749-I753 HydrophobicContact CG1-CD1 3.75Å; V749-I753 HydrophobicContact CG1-CG1 4.49Å; V749-I753 WeakPolarHBondContact O-CB 3.31Å; V749-I753 VanDerWaalsContact O-CG1 3.31Å; V749-I753 WeakPolarHBondContact O-CG1 3.48Å; V749-I753 PolarHBondContact O-N 2.88Å
750	M	88.8	Confident	83.6	Confident	83 Å²	83	83.4 Å²	83.4	41%	0.409	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-35.4	176.5	-69.7	-65.4	-86.8	0	0	112	F746 I753 V754	F746-M750 HydrophobicContact CD1-CG 4.32Å; F746-M750 HydrophobicContact CD2-CG 4.06Å; F746-M750 HydrophobicContact CE1-CG 3.99Å; F746-M750 HydrophobicContact CE2-CG 3.7Å; F746-M750 HydrophobicContact CE2-SD 4.26Å; F746-M750 HydrophobicContact CG-CG 4.36Å; F746-M750 HydrophobicContact CZ-CE 4.24Å; F746-M750 HydrophobicContact CZ-CG 3.66Å; F746-M750 HydrophobicContact CZ-SD 4.37Å; F746-M750 VanDerWaalsContact O-CB 3.32Å; F746-M750 WeakPolarHBondContact O-CB 3.32Å; F746-M750 WeakPolarHBondContact O-CG 3.38Å; F746-M750 PolarHBondContact O-N 2.94Å; M750-I753 PolarHBondContact O-N 3.29Å; M750-I753 HydrophobicContact SD-CD1 4.42Å; M750-V754 WeakPolarHBondContact O-CB 3.38Å; M750-V754 VanDerWaalsContact O-CG2 3.28Å; M750-V754 WeakPolarHBondContact O-CG2 3.39Å; M750-V754 PolarHBondContact O-N 3.49Å
751	G	87.2	Confident	83.8	Confident	42 Å²	42	84 Å²	84	43%	0.433	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-45.2	171.8	0	0	0	0	0	112.5	G747 V748 V749 A755	G747-G751 PolarHBondContact O-N 2.92Å; V748-G751 PolarHBondContact O-N 3.29Å; V749-G751 VanDerWaalsContact C-N 3.35Å; V749-G751 PolarHBondContact O-N 3.37Å; G751-A755 VanDerWaalsContact O-CB 3.25Å; G751-A755 WeakPolarHBondContact O-CB 3.25Å; G751-A755 PolarHBondContact O-N 3.49Å
752	V	87.5	Confident	84	Confident	100 Å²	100	86.3 Å²	86.3	61%	0.606	49%	0.488	S	S	*	.	H	α-helix	trans	-66.9	-41.1	175.7	171.9	0	0	0	0	111.7	V748 V749 A755 G756	V748-V752 WeakPolarHBondContact O-CG2 3.28Å; V748-V752 PolarHBondContact O-N 2.9Å; V749-V752 PolarHBondContact O-N 2.84Å; V752-A755 PolarHBondContact O-N 2.85Å; V752-G756 PolarHBondContact O-N 2.89Å
753	I	87.7	Confident	84	Confident	80 Å²	80	81.5 Å²	81.5	41%	0.41	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-47.6	176.8	-72.5	169.7	0	0	0	111	V749 M750 G756 I757	V749-I753 HydrophobicContact CG1-CD1 3.75Å; V749-I753 HydrophobicContact CG1-CG1 4.49Å; V749-I753 WeakPolarHBondContact O-CB 3.31Å; V749-I753 VanDerWaalsContact O-CG1 3.31Å; V749-I753 WeakPolarHBondContact O-CG1 3.48Å; V749-I753 PolarHBondContact O-N 2.88Å; M750-I753 PolarHBondContact O-N 3.29Å; M750-I753 HydrophobicContact SD-CD1 4.42Å; I753-G756 PolarHBondContact O-N 3.34Å; I753-I757 HydrophobicContact CG2-CD1 3.72Å; I753-I757 HydrophobicContact CG2-CG1 4.46Å; I753-I757 VanDerWaalsContact O-CG1 3.3Å; I753-I757 WeakPolarHBondContact O-CG1 3.47Å; I753-I757 PolarHBondContact O-N 3.46Å
754	V	87.7	Confident	83.7	Confident	82 Å²	82	79 Å²	79	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-42.5	178	171.1	0	0	0	0	110.9	M750 G756 I757 V758	M750-V754 WeakPolarHBondContact O-CB 3.38Å; M750-V754 VanDerWaalsContact O-CG2 3.28Å; M750-V754 WeakPolarHBondContact O-CG2 3.39Å; M750-V754 PolarHBondContact O-N 3.49Å; V754-G756 VanDerWaalsContact C-N 3.34Å; V754-G756 PolarHBondContact O-N 2.85Å; V754-I757 PolarHBondContact O-N 3.23Å; V754-V758 HydrophobicContact CG1-CG2 4.41Å; V754-V758 WeakPolarHBondContact O-CB 3.31Å; V754-V758 VanDerWaalsContact O-CG2 3.31Å; V754-V758 WeakPolarHBondContact O-CG2 3.3Å; V754-V758 PolarHBondContact O-N 2.93Å
755	A	84.3	Confident	83.4	Confident	53 Å²	53	79.2 Å²	79.2	44%	0.438	47%	0.473	S	S	.	.	H	α-helix	trans	-60.2	-43.3	173.4	0	0	0	0	0	111.8	G751 V752 V758 V759	G751-A755 VanDerWaalsContact O-CB 3.25Å; G751-A755 WeakPolarHBondContact O-CB 3.25Å; G751-A755 PolarHBondContact O-N 3.49Å; V752-A755 PolarHBondContact O-N 2.85Å; A755-V758 PolarHBondContact O-N 3.38Å; A755-V759 WeakPolarHBondContact O-CB 3.27Å; A755-V759 VanDerWaalsContact O-CG2 3.27Å; A755-V759 WeakPolarHBondContact O-CG2 3.39Å; A755-V759 PolarHBondContact O-N 2.88Å
756	G	83.9	Confident	82.7	Confident	31 Å²	31	83 Å²	83	32%	0.32	48%	0.478	S	S	.	.	H	α-helix	trans	-61.1	-45.1	175.1	0	0	0	0	0	113	V752 I753 V754 V759 L760	V752-G756 PolarHBondContact O-N 2.89Å; I753-G756 PolarHBondContact O-N 3.34Å; V754-G756 VanDerWaalsContact C-N 3.34Å; V754-G756 PolarHBondContact O-N 2.85Å; G756-V759 PolarHBondContact O-N 3.4Å; G756-L760 WeakPolarHBondContact O-CB 3.29Å; G756-L760 VanDerWaalsContact O-CG 3.28Å; G756-L760 WeakPolarHBondContact O-CG 3.49Å; G756-L760 PolarHBondContact O-N 2.9Å
757	I	85.6	Confident	81.9	Confident	88 Å²	88	83 Å²	83	45%	0.451	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-46.5	176	-70.1	166	0	0	0	110.8	I753 V754 V759 L760 I761	I753-I757 HydrophobicContact CG2-CD1 3.72Å; I753-I757 HydrophobicContact CG2-CG1 4.46Å; I753-I757 VanDerWaalsContact O-CG1 3.3Å; I753-I757 WeakPolarHBondContact O-CG1 3.47Å; I753-I757 PolarHBondContact O-N 3.46Å; V754-I757 PolarHBondContact O-N 3.23Å; I757-V759 PolarHBondContact O-N 3.29Å; I757-L760 PolarHBondContact O-N 3.48Å; I757-I761 HydrophobicContact CG2-CD1 3.74Å; I757-I761 HydrophobicContact CG2-CG1 4.48Å; I757-I761 WeakPolarHBondContact O-CB 3.28Å; I757-I761 VanDerWaalsContact O-CG1 3.29Å; I757-I761 WeakPolarHBondContact O-CG1 3.39Å; I757-I761 PolarHBondContact O-N 2.87Å
758	V	83.6	Confident	80.8	Confident	74 Å²	74	90.7 Å²	90.7	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-42.7	177.4	170.7	0	0	0	0	111	V754 A755 I761 F762	V754-V758 HydrophobicContact CG1-CG2 4.41Å; V754-V758 WeakPolarHBondContact O-CB 3.31Å; V754-V758 VanDerWaalsContact O-CG2 3.31Å; V754-V758 WeakPolarHBondContact O-CG2 3.3Å; V754-V758 PolarHBondContact O-N 2.93Å; A755-V758 PolarHBondContact O-N 3.38Å; V758-I761 PolarHBondContact O-N 3.49Å; V758-F762 HydrophobicContact CG1-CD2 3.98Å; V758-F762 HydrophobicContact CG1-CE2 4.33Å; V758-F762 WeakPolarHBondContact O-CB 3.48Å; V758-F762 WeakPolarHBondContact O-CD2 3.46Å; V758-F762 PolarHBondContact O-N 3.1Å
759	V	82.6	Confident	79.3	Confident	91 Å²	91	93.3 Å²	93.3	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-45.6	174.9	167.1	0	0	0	0	111.4	A755 G756 I757 I761 F762 T763	A755-V759 WeakPolarHBondContact O-CB 3.27Å; A755-V759 VanDerWaalsContact O-CG2 3.27Å; A755-V759 WeakPolarHBondContact O-CG2 3.39Å; A755-V759 PolarHBondContact O-N 2.88Å; G756-V759 PolarHBondContact O-N 3.4Å; I757-V759 PolarHBondContact O-N 3.29Å; V759-I761 PolarHBondContact O-N 3.42Å; V759-F762 PolarHBondContact O-N 2.82Å; V759-T763 HydrophobicContact CG1-CG2 4.49Å; V759-T763 PolarHBondContact O-N 3.24Å; V759-T763 PolarHBondContact O-OG1 2.92Å; V759-T763 VanDerWaalsContact O-OG1 3.1Å
760	L	81.8	Confident	77.8	Confident	122 Å²	122	95.7 Å²	95.7	64%	0.639	51%	0.506	S	S	*	.	H	α-helix	trans	-63.5	-38.9	177.9	-75.5	167.8	0	0	0	112.8	G756 I757 T763 G764	G756-L760 WeakPolarHBondContact O-CB 3.29Å; G756-L760 VanDerWaalsContact O-CG 3.28Å; G756-L760 WeakPolarHBondContact O-CG 3.49Å; G756-L760 PolarHBondContact O-N 2.9Å; I757-L760 PolarHBondContact O-N 3.48Å; L760-T763 WeakPolarHBondContact CA-OG1 3.26Å; L760-T763 PolarHBondContact O-OG1 3.41Å; L760-G764 PolarHBondContact O-N 2.91Å
761	I	81.2	Confident	76.1	Confident	95 Å²	95	99.7 Å²	99.7	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-65.3	-45.4	173.7	-69.8	167.3	0	0	0	110	I757 V758 V759 G764 I765	I757-I761 HydrophobicContact CG2-CD1 3.74Å; I757-I761 HydrophobicContact CG2-CG1 4.48Å; I757-I761 WeakPolarHBondContact O-CB 3.28Å; I757-I761 VanDerWaalsContact O-CG1 3.29Å; I757-I761 WeakPolarHBondContact O-CG1 3.39Å; I757-I761 PolarHBondContact O-N 2.87Å; V758-I761 PolarHBondContact O-N 3.49Å; V759-I761 PolarHBondContact O-N 3.42Å; I761-G764 PolarHBondContact O-N 2.93Å; I761-I765 HydrophobicContact CG2-CD1 3.76Å; I761-I765 WeakPolarHBondContact O-CB 3.45Å; I761-I765 VanDerWaalsContact O-CG1 3.26Å; I761-I765 WeakPolarHBondContact O-CG1 3.47Å; I761-I765 PolarHBondContact O-N 3.18Å
762	F	77.8	Confident	74.3	Confident	140 Å²	140	104 Å²	104	61%	0.614	53%	0.534	S	S	*	.	H	α-helix	trans	-68.5	-36.4	179.2	-96.2	-85.3	0	0	0	113.5	V758 V759 R766	V758-F762 HydrophobicContact CG1-CD2 3.98Å; V758-F762 HydrophobicContact CG1-CE2 4.33Å; V758-F762 WeakPolarHBondContact O-CB 3.48Å; V758-F762 WeakPolarHBondContact O-CD2 3.46Å; V758-F762 PolarHBondContact O-N 3.1Å; V759-F762 PolarHBondContact O-N 2.82Å; F762-R766 WeakPolarHBondContact O-CB 3.5Å; F762-R766 PolarHBondContact O-N 3.23Å
763	T	77.1	Confident	72.4	Confident	58 Å²	58	106.4 Å²	106.4	36%	0.356	54%	0.539	S	S	.	.	H	α-helix	trans	-69.1	-43.1	172	51.4	0	0	0	0	111.2	V759 L760 I765 R766 D767	V759-T763 HydrophobicContact CG1-CG2 4.49Å; V759-T763 PolarHBondContact O-N 3.24Å; V759-T763 PolarHBondContact O-OG1 2.92Å; V759-T763 VanDerWaalsContact O-OG1 3.1Å; L760-T763 WeakPolarHBondContact CA-OG1 3.26Å; L760-T763 PolarHBondContact O-OG1 3.41Å; T763-I765 VanDerWaalsContact C-N 3.32Å; T763-I765 PolarHBondContact O-N 3.1Å; T763-R766 CarbonylContact O-C 3.28Å; T763-R766 PolarHBondContact O-N 3.35Å; T763-R766 VanDerWaalsContact O-N 3.1Å; T763-D767 WeakPolarHBondContact O-CB 3.45Å; T763-D767 PolarHBondContact O-N 3.1Å
764	G	73.7	Confident	70.4	Confident	38 Å²	38	107 Å²	107	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-58	-40.8	174.3	0	0	0	0	0	113.5	L760 I761 R768	L760-G764 PolarHBondContact O-N 2.91Å; I761-G764 PolarHBondContact O-N 2.93Å; G764-R768 PolarHBondContact O-N 2.79Å; G764-R768 VanDerWaalsContact O-N 3.1Å
765	I	72.4	Confident	68.3	Low	98 Å²	98	113.9 Å²	113.9	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-68.2	-44.2	172.7	-69	167.6	0	0	0	111	I761 T763 D767 R768 K769	I761-I765 HydrophobicContact CG2-CD1 3.76Å; I761-I765 WeakPolarHBondContact O-CB 3.45Å; I761-I765 VanDerWaalsContact O-CG1 3.26Å; I761-I765 WeakPolarHBondContact O-CG1 3.47Å; I761-I765 PolarHBondContact O-N 3.18Å; T763-I765 VanDerWaalsContact C-N 3.32Å; T763-I765 PolarHBondContact O-N 3.1Å; I765-D767 VanDerWaalsContact C-N 3.34Å; I765-D767 PolarHBondContact O-N 2.87Å; I765-R768 PolarHBondContact O-N 2.92Å; I765-K769 WeakPolarHBondContact O-CB 3.15Å; I765-K769 PolarHBondContact O-N 3.41Å
766	R	69.4	Low	66	Low	169 Å²	169	115.2 Å²	115.2	64%	0.638	58%	0.579	S	S	*	*	H	α-helix	trans	-63.7	-37.5	179.9	-173.5	178	-171.8	-177.8	2.1	112.3	F762 T763 K769 K770	F762-R766 WeakPolarHBondContact O-CB 3.5Å; F762-R766 PolarHBondContact O-N 3.23Å; T763-R766 CarbonylContact O-C 3.28Å; T763-R766 PolarHBondContact O-N 3.35Å; T763-R766 VanDerWaalsContact O-N 3.1Å; R766-K769 CarbonylContact O-C 3.58Å; R766-K769 WeakPolarHBondContact O-CB 3.44Å; R766-K769 PolarHBondContact O-N 2.86Å; R766-K770 PolarHBondContact O-N 2.82Å
767	D	66.6	Low	63.7	Low	89 Å²	89	122.5 Å²	122.5	48%	0.476	60%	0.604	S	S	.	*	H	α-helix	trans	-79	-33	179.2	-72.1	-23.5	0	0	0	112	T763 I765 K769 K770 K771	T763-D767 WeakPolarHBondContact O-CB 3.45Å; T763-D767 PolarHBondContact O-N 3.1Å; I765-D767 VanDerWaalsContact C-N 3.34Å; I765-D767 PolarHBondContact O-N 2.87Å; D767-K769 VanDerWaalsContact C-N 3.28Å; D767-K769 PolarHBondContact O-N 3.44Å; D767-K770 PolarHBondContact O-N 3.45Å; D767-K771 VanDerWaalsContact O-CB 3.27Å; D767-K771 WeakPolarHBondContact O-CB 3.27Å; D767-K771 PolarHBondContact O-N 3.1Å
768	R	61.2	Low	61.1	Low	205 Å²	205	127.4 Å²	127.4	77%	0.774	63%	0.625	S	S	*	*	H	α-helix	trans	-57.7	-41.4	161.5	-90.9	-175.4	167	-177.3	-2.9	111.5	G764 I765 K771 N772	G764-R768 PolarHBondContact O-N 2.79Å; G764-R768 VanDerWaalsContact O-N 3.1Å; I765-R768 PolarHBondContact O-N 2.92Å; R768-K771 PolarHBondContact O-N 3.43Å; R768-N772 PolarHBondContact O-N 3.46Å; R768-N772 VanDerWaalsContact O-N 3.1Å
769	K	58.2	Low	58.8	Low	148 Å²	148	131 Å²	131	64%	0.643	64%	0.642	S	S	*	*	H	α-helix	trans	-67.7	-42.8	178.5	-141	174.2	-172.5	-179.9	0	112.3	I765 R766 D767 N772 Q773	I765-K769 WeakPolarHBondContact O-CB 3.15Å; I765-K769 PolarHBondContact O-N 3.41Å; R766-K769 CarbonylContact O-C 3.58Å; R766-K769 WeakPolarHBondContact O-CB 3.44Å; R766-K769 PolarHBondContact O-N 2.86Å; D767-K769 VanDerWaalsContact C-N 3.28Å; D767-K769 PolarHBondContact O-N 3.44Å; K769-N772 PolarHBondContact O-N 3.34Å; K769-Q773 PolarHBondContact O-N 3.05Å
770	K	56.4	Low	56.6	Low	123 Å²	123	131.7 Å²	131.7	54%	0.535	65%	0.648	S	S	.	*	H	α-helix	trans	-61.1	-43.9	171.7	-84	-174.9	167.5	-175.2	0	112.4	R766 D767 N772 Q773 A774	R766-K770 PolarHBondContact O-N 2.82Å; D767-K770 PolarHBondContact O-N 3.45Å; K770-N772 PolarHBondContact O-N 3.02Å; K770-Q773 PolarHBondContact O-N 2.89Å; K770-A774 PolarHBondContact O-N 3.32Å
771	K	52.9	Low	54.4	Low	168 Å²	168	136.2 Å²	136.2	73%	0.73	66%	0.659	S	S	*	*	H	α-helix	trans	-69.4	-20.6	-179.1	-151.9	166.9	-170.3	173.7	0	112.9	D767 R768	D767-K771 VanDerWaalsContact O-CB 3.27Å; D767-K771 WeakPolarHBondContact O-CB 3.27Å; D767-K771 PolarHBondContact O-N 3.1Å; R768-K771 PolarHBondContact O-N 3.43Å
772	N	49.4	Very low	52.1	Low	131 Å²	131	136.3 Å²	136.3	70%	0.701	67%	0.673	S	S	*	*	H	α-helix	trans	-85.1	-23.4	167.5	-74.7	7	0	0	0	113.8	R768 K769 K770	R768-N772 PolarHBondContact O-N 3.46Å; R768-N772 VanDerWaalsContact O-N 3.1Å; K769-N772 PolarHBondContact O-N 3.34Å; K770-N772 PolarHBondContact O-N 3.02Å
773	Q	47.3	Very low	50.2	Low	152 Å²	152	134.3 Å²	134.3	71%	0.71	68%	0.677	S	S	*	*	H	α-helix	trans	-83.6	-25.6	172.6	-78.3	-174.5	-70.5	0	0	113.3	K769 K770 R775	K769-Q773 PolarHBondContact O-N 3.05Å; K770-Q773 PolarHBondContact O-N 2.89Å; Q773-R775 VanDerWaalsContact C-N 3.26Å; Q773-R775 PolarHBondContact O-N 3.35Å
774	A	45.6	Very low	48	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	27.6	176.2	0	0	0	0	0	113.5	K770	K770-A774 PolarHBondContact O-N 3.32Å
775	R	42.7	Very low	46.3	Very low	227 Å²	227	143.9 Å²	143.9	86%	0.857	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.5	26.6	-179.2	-146.7	-178.8	-170.7	-168	1.5	113.3	Q773	Q773-R775 VanDerWaalsContact C-N 3.26Å; Q773-R775 PolarHBondContact O-N 3.35Å
776	S	37.1	Very low	44.5	Very low	82 Å²	82	145.4 Å²	145.4	57%	0.573	72%	0.723	S	S	*	*			trans	-128.4	135.3	171.1	-179.4	0	0	0	0	106.3
777	E	35.4	Very low	42.6	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	72%	0.724	S	S	*	*	S	Bend	trans	66.3	125.5	-164.8	-60.8	151.2	-137.5	0	0	112.4
778	E	31.8	Very low	41.1	Very low	192 Å²	192	147.5 Å²	147.5	90%	0.897	74%	0.744	S	S	*	*			cis	-115.5	167.1	5.2	-67.3	-173.3	115.4	0	0	113.9
779	N	34.7	Very low	39.7	Very low	149 Å²	149	141 Å²	141	80%	0.797	74%	0.742	S	S	*	*			trans	-121.9	119.4	170.5	163	28.7	0	0	0	109.6
780	P	36.4	Very low	38.7	Very low	106 Å²	106	142.8 Å²	142.8	69%	0.688	75%	0.752	S	S	*	*			trans	-134.2	124.7	148.6	32.7	-17.4	0	0	0	113.9
781	Y	35.6	Very low	37.7	Very low	217 Å²	217	143.7 Å²	143.7	85%	0.851	76%	0.763	S	S	*	*			trans	23.9	135.7	145.5	-72.3	-92.7	0	0	0	122.2
782	A	33	Very low	37	Very low	97 Å²	97	142.9 Å²	142.9	80%	0.802	77%	0.767	S	S	*	*			trans	72.9	147.3	150.7	0	0	0	0	0	118.1
783	S	36.4	Very low	37.4	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	77%	0.768	S	S	*	*			cis	-169.1	162.8	-13.1	49.1	0	0	0	0	112.3
784	I	32.5	Very low	36.8	Very low	148 Å²	148	137.9 Å²	137.9	76%	0.759	77%	0.766	S	S	*	*			trans	75.1	88.1	160.1	-59.9	153.2	0	0	0	118.3
785	D	36.5	Very low	36.3	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	77%	0.77	S	S	*	*				55.2	160	106.1	-155.3	22.6	0	0	0	124.5
786	I	35.8	Very low	36	Very low	129 Å²	129	137.9 Å²	137.9	66%	0.662	76%	0.757	S	S	*	*			trans	99.7	79.7	157.7	-46.1	-174	0	0	0	120.8
787	S	30.3	Very low	36	Very low	93 Å²	93	140 Å²	140	65%	0.65	76%	0.762	S	S	*	*				78.8	145.7	128.1	88.1	0	0	0	0	125.3
788	K	34.6	Very low	36.1	Very low	209 Å²	209	135.8 Å²	135.8	91%	0.909	75%	0.749	S	S	*	*			trans	65.5	151.7	161.9	-58	177.8	-177.4	179.9	0	117.9
789	G	31.8	Very low	36.4	Very low	70 Å²	70	133.2 Å²	133.2	72%	0.722	74%	0.741	S	S	*	*			cis	170.3	154.8	-10.4	0	0	0	0	0	113.9
790	E	35.7	Very low	36.6	Very low	184 Å²	184	133 Å²	133	86%	0.86	74%	0.741	S	S	*	*			trans	74.3	111.8	157.8	-61.5	-165.8	151.5	0	0	124.6
791	N	36.8	Very low	36.8	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	74%	0.74	S	S	*	*				70	117.8	116.8	-75	-12.9	0	0	0	127.7
792	N	38.2	Very low	36.8	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	74%	0.735	S	S	*	*				92.6	176.1	123.3	-124	19.5	0	0	0	121.7
793	P	57.7	Low	37.1	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	73%	0.73	S	S	*	*				-141.7	-168.9	-109.3	47.9	-28.4	0	0	0	118.5
794	G	34.1	Very low	37.2	Very low	63 Å²	63	131.6 Å²	131.6	65%	0.649	73%	0.731	S	S	*	*			trans	120.1	167.1	162.9	0	0	0	0	0	115.3
795	F	36.1	Very low	37.5	Very low	192 Å²	192	137.7 Å²	137.7	84%	0.842	75%	0.753	S	S	*	*			cis	175.4	159.6	-18.1	-119.1	-146.6	0	0	0	108
796	Q	35.5	Very low	37.5	Very low	126 Å²	126	137.2 Å²	137.2	59%	0.589	75%	0.751	S	S	*	*			cis	-170.9	146.8	-21.6	-156.8	-159.5	-29.4	0	0	110.8
797	N	37.7	Very low	37.6	Very low	126 Å²	126	137.6 Å²	137.6	67%	0.674	76%	0.756	S	S	*	*			trans	60.1	171.2	156.3	-79.1	25	0	0	0	119.5
798	T	37.8	Very low	38	Very low	96 Å²	96	140.1 Å²	140.1	59%	0.589	76%	0.761	S	S	*	*			cis	-163.5	149.2	-23.1	27.4	0	0	0	0	112
799	D	37.4	Very low	38.2	Very low	137 Å²	137	136 Å²	136	73%	0.733	75%	0.753	S	S	*	*			trans	56	141.9	135.7	-45.9	-19.8	0	0	0	126.7
800	D	39.1	Very low	38.6	Very low	146 Å²	146	140.1 Å²	140.1	78%	0.781	76%	0.755	S	S	*	*				85.9	125.4	129.6	-86.9	3.5	0	0	0	127.9
801	V	39.8	Very low	38.8	Very low	110 Å²	110	137.2 Å²	137.2	67%	0.667	75%	0.748	S	S	*	*				96.3	125.7	122.4	162.8	0	0	0	0	124.8
802	Q	36.2	Very low	39	Very low	162 Å²	162	136.8 Å²	136.8	76%	0.757	75%	0.746	S	S	*	*			trans	65.3	112.9	147.4	-82.9	-178.8	-63.5	0	0	127.2
803	T	38.8	Very low	39.1	Very low	112 Å²	112	135.7 Å²	135.7	69%	0.687	74%	0.742	S	S	*	*				49	143.1	121.3	59.7	0	0	0	0	125.2
804	S	38.4	Very low	37.5	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	74%	0.742	S	S	*	*			trans	74.8	147.4	165.2	74.4	0	0	0	0	116.4
805	F	39	Very low	37.8	Very low	277 Å²	277	144.3 Å²	144.3	100%	1.215	75%	0.75	S	S	*	*			cis	-107	0	1.4	-86.9	-107.3	0	0	0	112.8

Retrieved 805 of 805 residues in 2153.2 ms (Link to these results)

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