A0A087XIV0_POEFO Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I.

AlphaFold DB , UniProt , Accession A0A087XIV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,085 aa.

						>A0A087XIV0_POEFO|A0A087XIV0
MAVSMAAVAQPHREVHRLGSIYEPLKLSNLQREDEPLWEKLDRYYSAVKTTILNYQSPTTGLFPVKTFSDIKEAKVRDSLYCAACAWALGMAYRRIDDDLGRTHELEHSAIKCMRGILYCYMRQADKVEEFKNDPSPSKCLHSVFNVDTGDEVYTYGDYHHLQIDAVSLFLLYLVEMICSGLQIIYNTDEVSFIQNLVFCVERAYRVPDYGMWERGSKYNNGSTELHSSSVGLAKAALEAINGFNLFGNQGCSWSVIFVDLDAHNRNRQTLSSLLPRESRSHNTDAALLPTISYPAFAVDDDALYSQTLDKIVRKLRGKYGFKRFLRDGYRTANEDKNRRYYKPAEMKLFDGIECEFPMFFIYMMIDGVFRGNKAQVKEYQDLLEPIIFQSFEGHAVIPKYYYVPADFVEAEQNKHGSQKRFPSNSGRDGKMFLWGQAMYNIAKLLVDELISPKDIDPIQRYVPRQDQRNVSMRYSNQGPIENDAVIHVSLVAESQRLQVFLNTYGIQTQTPQQVEPIQIWPQKELVKAYRFLAVNKKLGLSGRPDRPVGCIGTCKIYRILGKTVVCYPIVFDLSDFYLSQDVMLLIDDIKNALQFIKQCWKMQGRPLFLVLIREDNIKGSRFNPVLDMLASFKKGVIGGVKVHVDRLQTLISGAFVEQLDFLRVNEAEIPEFKSFEELELPKHSKVKRQTSTPNASDLEQQPEISVEEWQNKPTYEILQKFHDCNCLASQAQLACILLRREGPDFLAKDENLMDELERIYRRAGSRKLWLAVRHAAAITKKYASSIAPHITTILVHGKQVTLGLFGHEEEVISNPLSPGVIQGIIYSKCSPLGGEREAVLQQELVIHIGWIISNNPELFSGMLKIRVGWIVQAMKHELKIRAGDLAPQDIYQLSPSDIKQLLLDVLQPQHTARSWLNRRQIDGSLNRTPLGFYDRVWQILERTPNGIVVGGTHLPQQPTLSDMTMYEMNFSLLVEDTLKNIDLPEYRQIIVELLMVVAVVLERNPELEFGDKVDLDSLVKEAFNDFQRDRSRFDGMEKQDDMEVFYNTPPLGKRGTSSYLTKAVMIQLLQGDMKPCKDDPCAVS
					

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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	32.6	Very low	29.2	Very low	245 Å²	245	137.7 Å²	137.7	100%	1.207	86%	0.857	S	S	*	*				0	130.9	0	-76.3	-177	-163.2	0	0	108.1
2	A	29.4	Very low	29.2	Very low	88 Å²	88	141.8 Å²	141.8	73%	0.727	86%	0.858	S	S	*	*			trans	37.7	111.9	155.7	0	0	0	0	0	119.5
3	V	29.8	Very low	29.2	Very low	146 Å²	146	148.8 Å²	148.8	89%	0.885	86%	0.859	S	S	*	*				76.3	133.3	91.5	175.7	0	0	0	0	110.6
4	S	29.5	Very low	29.2	Very low	100 Å²	100	151.8 Å²	151.8	70%	0.699	86%	0.862	S	S	*	*			cis	-170.2	151.8	6.9	153.1	0	0	0	0	106.4
5	M	28.6	Very low	29.2	Very low	187 Å²	187	150.4 Å²	150.4	92%	0.921	86%	0.857	S	S	*	*				176.5	134.8	122.6	-95.9	-167.7	170	0	0	111.4
6	A	30.6	Very low	29.3	Very low	100 Å²	100	152.4 Å²	152.4	83%	0.826	86%	0.856	S	S	*	*			trans	-85.2	147.2	-179.7	0	0	0	0	0	112
7	A	26.9	Very low	29.4	Very low	96 Å²	96	157.8 Å²	157.8	79%	0.793	86%	0.86	S	S	*	*			trans	-160.8	102.3	148.3	0	0	0	0	0	111.4
8	V	27.7	Very low	29.6	Very low	146 Å²	146	158.8 Å²	158.8	89%	0.885	86%	0.864	S	S	*	*			trans	37.2	111	137.7	-168.4	0	0	0	0	118.8
9	A	27.4	Very low	29.8	Very low	98 Å²	98	154.1 Å²	154.1	81%	0.81	86%	0.855	S	S	*	*			trans	-109.1	132.7	164.5	0	0	0	0	0	111.1
10	Q	28.1	Very low	30.1	Very low	182 Å²	182	150.3 Å²	150.3	85%	0.85	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-72.6	154	164.3	-82	-179.8	-24.3	0	0	110.9
11	P	31	Very low	30.7	Very low	127 Å²	127	151 Å²	151	83%	0.825	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-83.8	137.3	-163.4	32.9	-33.3	0	0	0	113.4
12	H	28.5	Very low	30.8	Very low	186 Å²	186	149.1 Å²	149.1	86%	0.861	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.7	136.7	167.1	-95.8	-82.2	0	0	0	111.2	E14	H12-E14 PolarHBondContact O-N 2.87Å
13	R	29.4	Very low	30.9	Very low	234 Å²	234	152.7 Å²	152.7	88%	0.883	82%	0.823	S	S	*	*			trans	-17.1	118.9	164	-78.3	173.6	165.8	174	-4.9	115.5
14	E	29	Very low	31.1	Very low	190 Å²	190	151.1 Å²	151.1	89%	0.888	82%	0.816	S	S	*	*			trans	-68.4	129	161.1	-80.1	-175.8	152.7	0	0	110.6	H12	H12-E14 PolarHBondContact O-N 2.87Å
15	V	29.8	Very low	31.6	Very low	131 Å²	131	153.7 Å²	153.7	79%	0.794	82%	0.821	S	S	*	*			trans	-80.9	114.9	170.9	172.6	0	0	0	0	107.5	R17	V15-R17 PolarHBondContact O-N 2.81Å; V15-R17 VanDerWaalsContact O-N 3.11Å
16	H	30.1	Very low	31.8	Very low	182 Å²	182	155.1 Å²	155.1	84%	0.843	82%	0.822	S	S	*	*			trans	-57.9	111.8	168.2	-79.9	-79.8	0	0	0	110
17	R	30.8	Very low	32.3	Very low	244 Å²	244	155.2 Å²	155.2	92%	0.921	81%	0.808	S	S	*	*			trans	-80.9	111.1	160.4	-83.4	-173.9	-178.5	-177.4	1.5	108.1	V15 G19	V15-R17 PolarHBondContact O-N 2.81Å; V15-R17 VanDerWaalsContact O-N 3.11Å; R17-G19 PolarHBondContact O-N 3.15Å; R17-G19 VanDerWaalsContact O-N 3.13Å
18	L	33.4	Very low	32.8	Very low	177 Å²	177	154.8 Å²	154.8	93%	0.927	80%	0.799	S	S	*	*			trans	-61.8	105	161.6	-86	130.4	0	0	0	108.6
19	G	34	Very low	33.4	Very low	68 Å²	68	153.4 Å²	153.4	70%	0.701	79%	0.787	S	S	*	*			trans	-73.3	137.3	163.9	0	0	0	0	0	109.9	R17	R17-G19 PolarHBondContact O-N 3.15Å; R17-G19 VanDerWaalsContact O-N 3.13Å
20	S	35.3	Very low	34.1	Very low	79 Å²	79	154.7 Å²	154.7	55%	0.552	78%	0.779	S	S	*	*			trans	-64.1	141.9	175.9	178	0	0	0	0	111.3	Y22	S20-Y22 PolarHBondContact O-N 2.97Å; S20-Y22 PolarHBondContact OG-N 3.07Å
21	I	42.2	Very low	34.9	Very low	166 Å²	166	154.2 Å²	154.2	85%	0.851	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-10.1	176.6	-60.9	164.8	0	0	0	112.3
22	Y	34.6	Very low	35.8	Very low	204 Å²	204	157.6 Å²	157.6	80%	0.8	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	1.1	-170.7	-69	-80.2	0	0	0	116.2	S20	S20-Y22 PolarHBondContact O-N 2.97Å; S20-Y22 PolarHBondContact OG-N 3.07Å
23	E	32.1	Very low	36.7	Very low	163 Å²	163	157.9 Å²	157.9	76%	0.762	78%	0.775	S	S	*	*			trans	-116.1	125.5	179.1	-78.7	-172.8	162.2	0	0	113	L25	E23-L25 PolarHBondContact O-N 2.76Å
24	P	35	Very low	38.1	Very low	113 Å²	113	154.3 Å²	154.3	73%	0.734	77%	0.773	S	S	*	*			trans	-70.9	125.2	170.9	18.9	-16	0	0	0	110.5	K26	P24-K26 PolarHBondContact O-N 3.29Å
25	L	38.4	Very low	40	Very low	155 Å²	155	146.2 Å²	146.2	81%	0.812	74%	0.736	S	S	*	*			trans	-59.4	124.5	170.5	-78.5	157.2	0	0	0	109.6	E23 L27	E23-L25 PolarHBondContact O-N 2.76Å; L25-L27 PolarHBondContact O-N 2.91Å
26	K	34.3	Very low	42.4	Very low	216 Å²	216	142.5 Å²	142.5	94%	0.939	72%	0.715	S	S	*	*			trans	-66.7	94.4	171.9	-82	-177.8	175.5	177.4	0	109.8	P24	P24-K26 PolarHBondContact O-N 3.29Å
27	L	40.7	Very low	44.8	Very low	103 Å²	103	137.7 Å²	137.7	54%	0.539	70%	0.695	S	S	.	*			trans	-96.7	134	170.2	-89.8	144.3	0	0	0	110.4	L25	L25-L27 PolarHBondContact O-N 2.91Å
28	S	36.9	Very low	47.3	Very low	86 Å²	86	132.1 Å²	132.1	60%	0.601	67%	0.674	S	S	*	*			trans	-66.2	129.2	176	50.6	0	0	0	0	111.5	L30	S28-L30 PolarHBondContact O-N 3.09Å
29	N	40.3	Very low	49.6	Very low	117 Å²	117	126.2 Å²	126.2	63%	0.626	64%	0.641	S	S	*	*			trans	-69.7	54.6	-179.2	-72.1	-23.2	0	0	0	114.6
30	L	41.9	Very low	52.1	Low	126 Å²	126	126.6 Å²	126.6	66%	0.66	62%	0.623	S	S	*	*			trans	-106.7	113.8	171.3	-82.6	152	0	0	0	109.1	S28 R32 R43	S28-L30 PolarHBondContact O-N 3.09Å; L30-R32 PolarHBondContact O-N 3.47Å; L30-R43 PolarHBondContact O-NH2 2.63Å
31	Q	44.2	Very low	54.7	Low	171 Å²	171	122.9 Å²	122.9	80%	0.799	60%	0.597	S	S	*	*			trans	-65.5	118.4	171	-75.8	178.6	-21	0	0	108.8
32	R	49.9	Very low	56.9	Low	198 Å²	198	116.6 Å²	116.6	75%	0.747	57%	0.566	S	S	*	*			trans	-107.8	133.9	167.7	-75.8	-179.3	167.7	174.4	-3.6	107.7	L30 D34 E35	L30-R32 PolarHBondContact O-N 3.47Å; R32-D34 PolarHBondContact O-N 3.05Å; R32-E35 WeakPolarHBondContact O-CB 3.36Å; R32-E35 PolarHBondContact O-N 3.5Å
33	E	49.1	Very low	59.5	Low	192 Å²	192	110 Å²	110	90%	0.897	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.5	-179.9	-70.8	-175.3	154.6	0	0	112.1
34	D	57.2	Low	62.4	Low	159 Å²	159	103.8 Å²	103.8	85%	0.85	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	19.6	-179.9	-62.7	-37.7	0	0	0	115.1	R32	R32-D34 PolarHBondContact O-N 3.05Å
35	E	70.3	Confident	65.2	Low	20 Å²	20	99.7 Å²	99.7	9%	0.093	48%	0.479	C	S	.	.			trans	-71.3	131	-179.8	-173.3	173.4	-153	0	0	111.9	R32 E39 K40 R43	R32-E35 WeakPolarHBondContact O-CB 3.36Å; R32-E35 PolarHBondContact O-N 3.5Å; E35-E39 HydrophobicContact CG-CB 3.55Å; E35-E39 HydrophobicContact CG-CG 4.47Å; E35-E39 VanDerWaalsContact CG-OE2 3.32Å; E35-E39 WeakPolarHBondContact CG-OE2 3.47Å; E35-E39 WeakPolarHBondContact OE1-CB 3.14Å; E35-K40 HydrophobicContact CB-CG 4.31Å; E35-K40 HydrophobicContact CG-CG 4.13Å; E35-K40 VanDerWaalsContact O-CE 3.31Å; E35-K40 WeakPolarHBondContact O-CE 3.38Å; E35-R43 IonicContact OE1-CZ 3.28Å; E35-R43 IonicContact OE1-NE 3.48Å; E35-R43 PolarHBondContact OE1-NE 2.67Å; E35-R43 IonicContact OE1-NH1 2.69Å; E35-R43 IonicContact OE1-NH2 3.13Å; E35-R43 PolarHBondContact OE1-NH2 3.35Å; E35-R43 IonicContact OE2-CZ 3.84Å; E35-R43 IonicContact OE2-NE 3.8Å; E35-R43 IonicContact OE2-NH1 3.03Å; E35-R43 PolarHBondContact OE2-NH1 2.81Å; E35-R43 IonicContact OE2-NH2 2.67Å; E35-R43 PolarHBondContact OE2-NH2 2.86Å
36	P	78.9	Confident	67.7	Low	54 Å²	54	94.3 Å²	94.3	35%	0.351	45%	0.454	S	S	.	.			trans	-62.7	148.5	-179.8	26.8	-34.9	0	0	0	111.8	W38 E39 K40	P36-W38 HydrophobicContact CG-CZ2 4.31Å; P36-W38 PolarHBondContact O-N 2.79Å; P36-W38 VanDerWaalsContact O-N 3.09Å; P36-E39 WeakPolarHBondContact CD-OE2 3.48Å; P36-E39 HydrophobicContact CG-CB 4.19Å; P36-E39 HydrophobicContact CG-CG 3.87Å; P36-E39 PolarHBondContact O-N 2.81Å; P36-K40 PolarHBondContact O-N 2.7Å
37	L	82	Confident	70.4	Confident	81 Å²	81	84.6 Å²	84.6	42%	0.424	42%	0.415	S	S	.	.	H	α-helix	trans	-52.5	-37.3	-173.5	-178.7	63.8	0	0	0	113.5	K40 L41 I96 L450	L37-K40 PolarHBondContact O-N 3.49Å; L37-L41 HydrophobicContact CD1-CD1 4.4Å; L37-L41 HydrophobicContact CG-CD1 4.18Å; L37-L41 PolarHBondContact O-N 3.31Å; L37-I96 HydrophobicContact CD2-CD1 4.38Å; L37-I96 HydrophobicContact CD2-CG1 4.11Å; L37-I96 HydrophobicContact CG-CD1 4.26Å; L37-L450 HydrophobicContact CD1-CD2 3.38Å
38	W	81.9	Confident	73	Confident	127 Å²	127	79.8 Å²	79.8	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-66.9	-39.2	179.4	69.7	-95.1	0	0	0	112.6	P36 K40 L41 D42 I96	P36-W38 HydrophobicContact CG-CZ2 4.31Å; P36-W38 PolarHBondContact O-N 2.79Å; P36-W38 VanDerWaalsContact O-N 3.09Å; W38-K40 VanDerWaalsContact C-N 3.35Å; W38-K40 PolarHBondContact O-N 2.96Å; W38-L41 PolarHBondContact O-N 3.31Å; W38-D42 WeakPolarHBondContact O-CB 3.45Å; W38-D42 VanDerWaalsContact O-CG 3.29Å; W38-D42 PolarHBondContact O-N 3.13Å; W38-D42 VanDerWaalsContact O-OD1 3.11Å; W38-I96 HydrophobicContact CB-CD1 4.19Å
39	E	82.9	Confident	75.7	Confident	53 Å²	53	79.8 Å²	79.8	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-66.7	-37.6	176.8	-75.7	-178.3	177.6	0	0	111.2	E35 P36 D42 R43	E35-E39 HydrophobicContact CG-CB 3.55Å; E35-E39 HydrophobicContact CG-CG 4.47Å; E35-E39 VanDerWaalsContact CG-OE2 3.32Å; E35-E39 WeakPolarHBondContact CG-OE2 3.47Å; E35-E39 WeakPolarHBondContact OE1-CB 3.14Å; P36-E39 WeakPolarHBondContact CD-OE2 3.48Å; P36-E39 HydrophobicContact CG-CB 4.19Å; P36-E39 HydrophobicContact CG-CG 3.87Å; P36-E39 PolarHBondContact O-N 2.81Å; E39-D42 PolarHBondContact O-N 3.42Å; E39-R43 PolarHBondContact O-N 3.16Å
40	K	85.6	Confident	78.1	Confident	75 Å²	75	76.3 Å²	76.3	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-46.6	173.9	-68.1	-177.7	-177.7	173.7	0	111.4	E35 P36 L37 W38 D42 R43 Y44	E35-K40 HydrophobicContact CB-CG 4.31Å; E35-K40 HydrophobicContact CG-CG 4.13Å; E35-K40 VanDerWaalsContact O-CE 3.31Å; E35-K40 WeakPolarHBondContact O-CE 3.38Å; P36-K40 PolarHBondContact O-N 2.7Å; L37-K40 PolarHBondContact O-N 3.49Å; W38-K40 VanDerWaalsContact C-N 3.35Å; W38-K40 PolarHBondContact O-N 2.96Å; K40-D42 VanDerWaalsContact C-N 3.31Å; K40-D42 PolarHBondContact O-N 3.39Å; K40-R43 PolarHBondContact O-N 3.43Å; K40-Y44 VanDerWaalsContact O-CD2 3.3Å; K40-Y44 WeakPolarHBondContact O-CD2 3.4Å; K40-Y44 PolarHBondContact O-N 2.64Å
41	L	89.6	Confident	80.4	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-66.5	-33.6	178.6	-77.2	170.3	0	0	0	112.4	L37 W38 R43 Y44 Y45 L89 A92 Y93 I96 L450	L37-L41 HydrophobicContact CD1-CD1 4.4Å; L37-L41 HydrophobicContact CG-CD1 4.18Å; L37-L41 PolarHBondContact O-N 3.31Å; W38-L41 PolarHBondContact O-N 3.31Å; L41-R43 VanDerWaalsContact C-N 3.28Å; L41-R43 PolarHBondContact O-N 3.3Å; L41-Y44 CarbonylContact O-C 3.58Å; L41-Y44 WeakPolarHBondContact O-CA 3.49Å; L41-Y44 WeakPolarHBondContact O-CB 3.38Å; L41-Y44 PolarHBondContact O-N 2.98Å; L41-Y45 PolarHBondContact O-N 3.45Å; L41-L89 HydrophobicContact CD2-CD1 4Å; L41-A92 HydrophobicContact CD2-CB 3.53Å; L41-Y93 HydrophobicContact CB-CD1 4.46Å; L41-Y93 HydrophobicContact CB-CE1 3.82Å; L41-Y93 HydrophobicContact CB-CE2 4.17Å; L41-Y93 HydrophobicContact CD1-CD1 4.3Å; L41-Y93 HydrophobicContact CD1-CE1 4.43Å; L41-Y93 PolarHBondContact O-OH 3.28Å; L41-Y93 VanDerWaalsContact O-OH 3.09Å; L41-I96 HydrophobicContact CD1-CD1 3.39Å; L41-I96 HydrophobicContact CD1-CG1 4.25Å; L41-L450 HydrophobicContact CD2-CB 4.47Å; L41-L450 HydrophobicContact CD2-CD1 4.01Å
42	D	88.9	Confident	82.8	Confident	34 Å²	34	62.2 Å²	62.2	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-33.7	177.2	-80.5	18.2	0	0	0	113.2	W38 E39 K40 Y45 S46 Y93 R102	W38-D42 WeakPolarHBondContact O-CB 3.45Å; W38-D42 VanDerWaalsContact O-CG 3.29Å; W38-D42 PolarHBondContact O-N 3.13Å; W38-D42 VanDerWaalsContact O-OD1 3.11Å; E39-D42 PolarHBondContact O-N 3.42Å; K40-D42 VanDerWaalsContact C-N 3.31Å; K40-D42 PolarHBondContact O-N 3.39Å; D42-Y45 PolarHBondContact O-N 3.2Å; D42-S46 WeakPolarHBondContact O-CB 3.5Å; D42-S46 PolarHBondContact O-N 3.29Å; D42-Y93 WeakPolarHBondContact CA-OH 3.48Å; D42-Y93 PolarHBondContact N-OH 3.34Å; D42-Y93 PolarHBondContact OD1-OH 3.23Å; D42-R102 VanDerWaalsContact CG-NH2 3.25Å; D42-R102 IonicContact OD1-CZ 2.66Å; D42-R102 IonicContact OD1-NH1 3.93Å; D42-R102 PolarHBondContact OD1-NH1 2.82Å; D42-R102 IonicContact OD1-NH2 2.95Å; D42-R102 PolarHBondContact OD1-NH2 2.83Å; D42-R102 IonicContact OD2-CZ 3.04Å; D42-R102 IonicContact OD2-NH1 2.8Å; D42-R102 PolarHBondContact OD2-NH1 3.48Å; D42-R102 VanDerWaalsContact OD2-NH1 3.12Å; D42-R102 IonicContact OD2-NH2 3.04Å; D42-R102 PolarHBondContact OD2-NH2 2.9Å
43	R	89.6	Confident	84.9	Confident	67 Å²	67	53.8 Å²	53.8	25%	0.253	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-43.1	171.4	-66.3	176.4	-178.6	168.5	0.5	111.6	L30 E35 E39 K40 L41 S46 A47	L30-R43 PolarHBondContact O-NH2 2.63Å; E35-R43 IonicContact OE1-CZ 3.28Å; E35-R43 IonicContact OE1-NE 3.48Å; E35-R43 PolarHBondContact OE1-NE 2.67Å; E35-R43 IonicContact OE1-NH1 2.69Å; E35-R43 IonicContact OE1-NH2 3.13Å; E35-R43 PolarHBondContact OE1-NH2 3.35Å; E35-R43 IonicContact OE2-CZ 3.84Å; E35-R43 IonicContact OE2-NE 3.8Å; E35-R43 IonicContact OE2-NH1 3.03Å; E35-R43 PolarHBondContact OE2-NH1 2.81Å; E35-R43 IonicContact OE2-NH2 2.67Å; E35-R43 PolarHBondContact OE2-NH2 2.86Å; E39-R43 PolarHBondContact O-N 3.16Å; K40-R43 PolarHBondContact O-N 3.43Å; L41-R43 VanDerWaalsContact C-N 3.28Å; L41-R43 PolarHBondContact O-N 3.3Å; R43-S46 PolarHBondContact O-N 3.38Å; R43-A47 WeakPolarHBondContact O-CB 3.4Å; R43-A47 PolarHBondContact O-N 3.24Å
44	Y	92.6	Very high	87	Confident	32 Å²	32	50.3 Å²	50.3	13%	0.125	25%	0.25	C	C	.	.	H	α-helix	trans	-67.3	-39.4	176.4	-78.1	-69.9	0	0	0	112.2	K40 L41 A47 V48 K444 L445 D448 L450	K40-Y44 VanDerWaalsContact O-CD2 3.3Å; K40-Y44 WeakPolarHBondContact O-CD2 3.4Å; K40-Y44 PolarHBondContact O-N 2.64Å; L41-Y44 CarbonylContact O-C 3.58Å; L41-Y44 WeakPolarHBondContact O-CA 3.49Å; L41-Y44 WeakPolarHBondContact O-CB 3.38Å; L41-Y44 PolarHBondContact O-N 2.98Å; Y44-A47 PolarHBondContact O-N 2.89Å; Y44-V48 WeakPolarHBondContact O-CB 3.41Å; Y44-V48 WeakPolarHBondContact O-CG2 3.27Å; Y44-V48 PolarHBondContact O-N 3.24Å; Y44-K444 HydrophobicContact CE1-CB 3.77Å; Y44-L445 HydrophobicContact CD1-CD2 3.96Å; Y44-L445 HydrophobicContact CD1-CG 4.39Å; Y44-L445 HydrophobicContact CD2-CD2 3.97Å; Y44-L445 HydrophobicContact CE1-CD2 4.39Å; Y44-L445 HydrophobicContact CE2-CD2 4.39Å; Y44-L445 HydrophobicContact CG-CD2 3.75Å; Y44-D448 PolarHBondContact OH-OD2 3.11Å; Y44-L450 HydrophobicContact CD2-CD1 3.47Å; Y44-L450 VanDerWaalsContact CD2-CD1 3.47Å; Y44-L450 HydrophobicContact CE2-CD1 3.35Å
45	Y	93.7	Very high	88.7	Confident	26 Å²	26	44.7 Å²	44.7	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-47.1	173.2	177.8	-92.4	0	0	0	112	L41 D42 A47 V48 K49 Y93 R102 E105 L106	L41-Y45 PolarHBondContact O-N 3.45Å; D42-Y45 PolarHBondContact O-N 3.2Å; Y45-A47 VanDerWaalsContact C-N 3.33Å; Y45-A47 PolarHBondContact O-N 3.03Å; Y45-V48 PolarHBondContact O-N 2.9Å; Y45-K49 HydrophobicContact CE1-CD 3.73Å; Y45-K49 WeakPolarHBondContact O-CB 3.4Å; Y45-K49 PolarHBondContact O-N 3.13Å; Y45-K49 PolarHBondContact OH-NZ 3.44Å; Y45-Y93 WeakPolarHBondContact CB-OH 3.41Å; Y45-Y93 HydrophobicContact CD2-CE2 4.22Å; Y45-Y93 HydrophobicContact CG-CE2 4.45Å; Y45-R102 HydrophobicContact CD2-CB 4.19Å; Y45-R102 HydrophobicContact CD2-CG 4.07Å; Y45-R102 HydrophobicContact CE2-CB 3.97Å; Y45-R102 HydrophobicContact CE2-CG 3.71Å; Y45-E105 VanDerWaalsContact OH-CD 3.28Å; Y45-E105 PolarHBondContact OH-OE1 3.28Å; Y45-E105 PolarHBondContact OH-OE2 3.13Å; Y45-L106 HydrophobicContact CD2-CD1 4.17Å; Y45-L106 HydrophobicContact CD2-CD2 4.43Å; Y45-L106 HydrophobicContact CD2-CG 4.43Å; Y45-L106 HydrophobicContact CE2-CG 4.45Å
46	S	91.9	Very high	89.9	Confident	42 Å²	42	45.4 Å²	45.4	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-56.8	-47.7	173.7	-172.4	0	0	0	0	111.2	D42 R43 K49 T50	D42-S46 WeakPolarHBondContact O-CB 3.5Å; D42-S46 PolarHBondContact O-N 3.29Å; R43-S46 PolarHBondContact O-N 3.38Å; S46-K49 PolarHBondContact O-N 3.11Å; S46-T50 WeakPolarHBondContact O-CB 3.42Å; S46-T50 PolarHBondContact O-N 2.73Å; S46-T50 PolarHBondContact O-OG1 2.98Å
47	A	91.4	Very high	90.7	Very high	13 Å²	13	43 Å²	43	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-48.7	178.1	0	0	0	0	0	112.7	R43 Y44 Y45 T51	R43-A47 WeakPolarHBondContact O-CB 3.4Å; R43-A47 PolarHBondContact O-N 3.24Å; Y44-A47 PolarHBondContact O-N 2.89Å; Y45-A47 VanDerWaalsContact C-N 3.33Å; Y45-A47 PolarHBondContact O-N 3.03Å; A47-T51 VanDerWaalsContact O-CB 3.26Å; A47-T51 WeakPolarHBondContact O-CB 3.41Å; A47-T51 VanDerWaalsContact O-CG2 3.31Å; A47-T51 WeakPolarHBondContact O-CG2 3.45Å; A47-T51 PolarHBondContact O-N 3Å; A47-T51 PolarHBondContact O-OG1 3.17Å
48	V	94.8	Very high	91.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-39.7	179.1	169.4	0	0	0	0	110.9	Y44 Y45 I52 L53 L89 L106 N441	Y44-V48 WeakPolarHBondContact O-CB 3.41Å; Y44-V48 WeakPolarHBondContact O-CG2 3.27Å; Y44-V48 PolarHBondContact O-N 3.24Å; Y45-V48 PolarHBondContact O-N 2.9Å; V48-I52 HydrophobicContact CG1-CB 4.39Å; V48-I52 WeakPolarHBondContact O-CA 3.48Å; V48-I52 WeakPolarHBondContact O-CB 3.46Å; V48-I52 PolarHBondContact O-N 3Å; V48-L53 HydrophobicContact CG1-CD1 4.23Å; V48-L53 HydrophobicContact CG1-CG 4.05Å; V48-L53 PolarHBondContact O-N 2.78Å; V48-L89 HydrophobicContact CB-CD2 3.84Å; V48-L89 HydrophobicContact CG1-CD2 4.22Å; V48-L89 HydrophobicContact CG2-CD2 3.79Å; V48-L106 HydrophobicContact CG1-CD2 4.37Å; V48-N441 HydrophobicContact CG2-CB 4.31Å
49	K	93.3	Very high	91.8	Very high	87 Å²	87	42.5 Å²	42.5	38%	0.378	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-49.8	178.5	-168.9	160.9	-170.3	148	0	111.6	Y45 S46 N54 E105	Y45-K49 HydrophobicContact CE1-CD 3.73Å; Y45-K49 WeakPolarHBondContact O-CB 3.4Å; Y45-K49 PolarHBondContact O-N 3.13Å; Y45-K49 PolarHBondContact OH-NZ 3.44Å; S46-K49 PolarHBondContact O-N 3.11Å; K49-N54 WeakPolarHBondContact O-CB 3.37Å; K49-N54 PolarHBondContact O-N 3.4Å; K49-E105 IonicContact NZ-OE1 3.81Å; K49-E105 PolarHBondContact NZ-OE1 3.25Å; K49-E105 IonicContact NZ-OE2 3.04Å
50	T	90.1	Very high	92.4	Very high	43 Å²	43	40.6 Å²	40.6	26%	0.264	21%	0.213	S	C	.	.	H	α-helix	trans	-70.1	-44.2	179.4	-64	0	0	0	0	112.6	S46 E393	S46-T50 WeakPolarHBondContact O-CB 3.42Å; S46-T50 PolarHBondContact O-N 2.73Å; S46-T50 PolarHBondContact O-OG1 2.98Å; T50-E393 WeakPolarHBondContact CG2-OE2 3.44Å; T50-E393 PolarHBondContact OG1-OE2 3.19Å; T50-E393 VanDerWaalsContact OG1-OE2 3.14Å
51	T	90.4	Very high	92.9	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-92.2	-23	-167.9	67.3	0	0	0	0	114.4	A47 Y55 H395 M432 L434	A47-T51 VanDerWaalsContact O-CB 3.26Å; A47-T51 WeakPolarHBondContact O-CB 3.41Å; A47-T51 VanDerWaalsContact O-CG2 3.31Å; A47-T51 WeakPolarHBondContact O-CG2 3.45Å; A47-T51 PolarHBondContact O-N 3Å; A47-T51 PolarHBondContact O-OG1 3.17Å; T51-Y55 WeakPolarHBondContact O-CE2 3.48Å; T51-H395 HydrophobicContact CG2-CB 4.11Å; T51-M432 HydrophobicContact CG2-CE 4.13Å; T51-L434 VanDerWaalsContact O-CD2 3.3Å; T51-L434 WeakPolarHBondContact O-CD2 3.5Å
52	I	94.3	Very high	93.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-64.8	-178.4	-55.7	-63.6	0	0	0	111.1	V48 N54 Y55 F63 C82 L434 Q437 A438	V48-I52 HydrophobicContact CG1-CB 4.39Å; V48-I52 WeakPolarHBondContact O-CA 3.48Å; V48-I52 WeakPolarHBondContact O-CB 3.46Å; V48-I52 PolarHBondContact O-N 3Å; I52-N54 VanDerWaalsContact C-N 3.3Å; I52-N54 PolarHBondContact O-N 2.89Å; I52-Y55 PolarHBondContact O-N 3.22Å; I52-F63 HydrophobicContact CG2-CD1 4.4Å; I52-F63 HydrophobicContact CG2-CE1 3.74Å; I52-F63 HydrophobicContact CG2-CZ 4.25Å; I52-C82 HydrophobicContact CG2-CB 3.98Å; I52-L434 HydrophobicContact CD1-CD2 4.19Å; I52-Q437 HydrophobicContact CD1-CB 3.89Å; I52-Q437 HydrophobicContact CD1-CG 3.9Å; I52-A438 HydrophobicContact CD1-CB 4.2Å
53	L	95	Very high	93.6	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.115	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-67.2	-28.5	-167.8	-60.8	-179.4	0	0	0	113.8	V48 Y55 Q56 F63 A86 L106 S109	V48-L53 HydrophobicContact CG1-CD1 4.23Å; V48-L53 HydrophobicContact CG1-CG 4.05Å; V48-L53 PolarHBondContact O-N 2.78Å; L53-Y55 PolarHBondContact O-N 2.98Å; L53-Q56 WeakPolarHBondContact O-CB 3.39Å; L53-Q56 PolarHBondContact O-N 3.33Å; L53-F63 HydrophobicContact CD2-CZ 4.46Å; L53-A86 HydrophobicContact CD2-CB 4.13Å; L53-L106 HydrophobicContact CD1-CD2 3.96Å; L53-S109 WeakPolarHBondContact CD2-OG 3.32Å
54	N	91.9	Very high	93.8	Very high	118 Å²	118	33 Å²	33	63%	0.631	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-57.3	-19.8	173.8	-173.9	55.2	0	0	0	113.4	K49 I52	K49-N54 WeakPolarHBondContact O-CB 3.37Å; K49-N54 PolarHBondContact O-N 3.4Å; I52-N54 VanDerWaalsContact C-N 3.3Å; I52-N54 PolarHBondContact O-N 2.89Å
55	Y	92.9	Very high	93.5	Very high	41 Å²	41	33.1 Å²	33.1	16%	0.161	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-101.2	-2.7	178.1	-57.2	-73.5	0	0	0	113.6	T51 I52 L53 S57 P64 T67 M432 L434	T51-Y55 WeakPolarHBondContact O-CE2 3.48Å; I52-Y55 PolarHBondContact O-N 3.22Å; L53-Y55 PolarHBondContact O-N 2.98Å; Y55-S57 PolarHBondContact O-N 3.24Å; Y55-P64 WeakPolarHBondContact O-CD 3.42Å; Y55-T67 HydrophobicContact CD1-CG2 3.57Å; Y55-T67 HydrophobicContact CD2-CG2 3.96Å; Y55-T67 VanDerWaalsContact CE1-CB 3.46Å; Y55-T67 HydrophobicContact CE1-CG2 3.62Å; Y55-T67 HydrophobicContact CE2-CG2 4.02Å; Y55-T67 HydrophobicContact CG-CG2 3.73Å; Y55-M432 HydrophobicContact CE2-CB 4.42Å; Y55-M432 HydrophobicContact CE2-CG 4.25Å; Y55-L434 HydrophobicContact CD2-CD2 3.75Å; Y55-L434 HydrophobicContact CE2-CD2 4.27Å; Y55-L434 HydrophobicContact CG-CD2 4.41Å
56	Q	95.9	Very high	93	Very high	36 Å²	36	37 Å²	37	17%	0.168	20%	0.203	C	C	.	.	S	Bend	trans	-69.3	132.6	-179.9	-168	176.8	32.4	0	0	110.8	L53 G61 F63 S109	L53-Q56 WeakPolarHBondContact O-CB 3.39Å; L53-Q56 PolarHBondContact O-N 3.33Å; Q56-G61 WeakPolarHBondContact CG-O 3.3Å; Q56-G61 PolarHBondContact NE2-O 3.02Å; Q56-F63 HydrophobicContact CB-CD1 4.17Å; Q56-F63 HydrophobicContact CB-CE1 3.53Å; Q56-F63 HydrophobicContact CB-CZ 3.76Å; Q56-F63 HydrophobicContact CG-CE1 3.92Å; Q56-F63 HydrophobicContact CG-CE2 4.03Å; Q56-F63 HydrophobicContact CG-CZ 3.65Å; Q56-S109 VanDerWaalsContact CD-OG 3.25Å; Q56-S109 PolarHBondContact NE2-O 3.41Å; Q56-S109 PolarHBondContact NE2-OG 2.94Å; Q56-S109 PolarHBondContact OE1-OG 2.88Å
57	S	95.7	Very high	92.5	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.028	20%	0.196	C	C	.	.			trans	-63.8	130	174.9	-177	0	0	0	0	111.8	Y55 T59 T60 G61 L62 V147 D148	Y55-S57 PolarHBondContact O-N 3.24Å; S57-T59 PolarHBondContact O-N 2.97Å; S57-T59 PolarHBondContact OG-N 3.33Å; S57-T59 PolarHBondContact OG-OG1 3.21Å; S57-T60 WeakPolarHBondContact CB-OG1 3.38Å; S57-G61 VanDerWaalsContact O-CA 3.24Å; S57-G61 WeakPolarHBondContact O-CA 3.15Å; S57-G61 PolarHBondContact O-N 3.48Å; S57-L62 WeakPolarHBondContact CB-O 3.07Å; S57-L62 PolarHBondContact N-O 3.44Å; S57-V147 VanDerWaalsContact CB-O 3.29Å; S57-V147 WeakPolarHBondContact CB-O 3.45Å; S57-V147 PolarHBondContact OG-O 3.04Å; S57-D148 PolarHBondContact OG-OD1 3.3Å
58	P	93.5	Very high	91.6	Very high	104 Å²	104	43.2 Å²	43.2	68%	0.675	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.2	176.4	31.1	-35.7	0	0	0	112.9	K112	P58-K112 VanDerWaalsContact O-CE 3.3Å; P58-K112 WeakPolarHBondContact O-CE 3.39Å; P58-K112 PolarHBondContact O-NZ 3.15Å
59	T	93.5	Very high	90.3	Very high	92 Å²	92	45 Å²	45	56%	0.564	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-61.9	178.9	49	0	0	0	0	110.7	S57 D148	S57-T59 PolarHBondContact O-N 2.97Å; S57-T59 PolarHBondContact OG-N 3.33Å; S57-T59 PolarHBondContact OG-OG1 3.21Å; T59-D148 WeakPolarHBondContact CB-O 3.24Å; T59-D148 PolarHBondContact OG1-O 2.92Å
60	T	95.4	Very high	89.1	Confident	14 Å²	14	48.6 Å²	48.6	9%	0.086	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-24.6	-173.6	65.6	0	0	0	0	113.3	S57 L62 G116 V147 D148	S57-T60 WeakPolarHBondContact CB-OG1 3.38Å; T60-L62 VanDerWaalsContact C-N 3.27Å; T60-L62 WeakPolarHBondContact OG1-CB 3.49Å; T60-L62 WeakPolarHBondContact OG1-CG 3.49Å; T60-L62 PolarHBondContact OG1-N 2.8Å; T60-G116 WeakPolarHBondContact O-CA 3.31Å; T60-V147 WeakPolarHBondContact CG2-O 3.36Å; T60-V147 PolarHBondContact OG1-O 3.39Å; T60-D148 WeakPolarHBondContact CG2-O 3.44Å
61	G	96.3	Very high	88.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.			trans	79.2	1.2	-168.2	0	0	0	0	0	115	Q56 S57 C113	Q56-G61 WeakPolarHBondContact CG-O 3.3Å; Q56-G61 PolarHBondContact NE2-O 3.02Å; S57-G61 VanDerWaalsContact O-CA 3.24Å; S57-G61 WeakPolarHBondContact O-CA 3.15Å; S57-G61 PolarHBondContact O-N 3.48Å; G61-C113 WeakPolarHBondContact O-CA 3.45Å; G61-C113 VanDerWaalsContact O-CB 3.22Å; G61-C113 WeakPolarHBondContact O-CB 3.38Å
62	L	97.6	Very high	88.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.289	C	S	.	.			trans	-72.5	160.9	177.9	-62.5	177.1	0	0	0	112.1	S57 T60 A74 I117 F145	S57-L62 WeakPolarHBondContact CB-O 3.07Å; S57-L62 PolarHBondContact N-O 3.44Å; T60-L62 VanDerWaalsContact C-N 3.27Å; T60-L62 WeakPolarHBondContact OG1-CB 3.49Å; T60-L62 WeakPolarHBondContact OG1-CG 3.49Å; T60-L62 PolarHBondContact OG1-N 2.8Å; L62-A74 HydrophobicContact CB-CB 3.77Å; L62-A74 HydrophobicContact CD1-CB 3.97Å; L62-A74 HydrophobicContact CG-CB 4.38Å; L62-I117 HydrophobicContact CD2-CG1 3.62Å; L62-F145 HydrophobicContact CD1-CB 4.26Å
63	F	95.8	Very high	88	Confident	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.294	C	S	.	.			trans	-114.1	136.1	179.2	-66.7	-93.2	0	0	0	111.6	I52 L53 Q56 A74 S79 C82 C113 L434	I52-F63 HydrophobicContact CG2-CD1 4.4Å; I52-F63 HydrophobicContact CG2-CE1 3.74Å; I52-F63 HydrophobicContact CG2-CZ 4.25Å; L53-F63 HydrophobicContact CD2-CZ 4.46Å; Q56-F63 HydrophobicContact CB-CD1 4.17Å; Q56-F63 HydrophobicContact CB-CE1 3.53Å; Q56-F63 HydrophobicContact CB-CZ 3.76Å; Q56-F63 HydrophobicContact CG-CE1 3.92Å; Q56-F63 HydrophobicContact CG-CE2 4.03Å; Q56-F63 HydrophobicContact CG-CZ 3.65Å; F63-A74 WeakPolarHBondContact O-CA 3.35Å; F63-A74 VanDerWaalsContact O-CB 3.3Å; F63-A74 WeakPolarHBondContact O-CB 3.32Å; F63-S79 PolarHBondContact N-OG 3.28Å; F63-S79 PolarHBondContact O-OG 3.05Å; F63-C82 HydrophobicContact CB-CB 4.3Å; F63-C82 HydrophobicContact CD1-CB 3.8Å; F63-C82 HydrophobicContact CD2-CB 3.41Å; F63-C82 VanDerWaalsContact CD2-CB 3.41Å; F63-C82 HydrophobicContact CE1-CB 3.88Å; F63-C82 HydrophobicContact CE2-CB 3.51Å; F63-C82 HydrophobicContact CG-CB 3.56Å; F63-C82 HydrophobicContact CZ-CB 3.74Å; F63-C113 HydrophobicContact CE2-CB 4.02Å; F63-L434 HydrophobicContact CB-CD1 4.05Å; F63-L434 HydrophobicContact CD1-CD1 4.33Å
64	P	93.3	Very high	88	Confident	15 Å²	15	55.3 Å²	55.3	10%	0.097	29%	0.289	C	S	.	.			trans	-74.3	142.8	-179	30.5	-35.5	0	0	0	112.1	Y55 K66 E73 V147 L434	Y55-P64 WeakPolarHBondContact O-CD 3.42Å; P64-K66 VanDerWaalsContact C-N 3.32Å; P64-E73 CarbonylContact C-O 3.56Å; P64-E73 VanDerWaalsContact CA-O 3.28Å; P64-E73 WeakPolarHBondContact CA-O 3.24Å; P64-V147 HydrophobicContact CB-CG2 3.87Å; P64-L434 HydrophobicContact CG-CD1 4.49Å; P64-L434 WeakPolarHBondContact O-CD1 3.39Å
65	V	87.3	Confident	88.2	Confident	33 Å²	33	51.3 Å²	51.3	20%	0.2	27%	0.266	C	S	.	.	S	Bend	trans	-67.9	-35.4	172.4	-178.4	0	0	0	0	111.2	E73 K75	V65-E73 PolarHBondContact N-O 3.49Å; V65-K75 HydrophobicContact CG1-CD 4.38Å; V65-K75 HydrophobicContact CG2-CB 3.83Å; V65-K75 HydrophobicContact CG2-CD 3.68Å; V65-K75 HydrophobicContact CG2-CG 3.52Å
66	K	82.7	Confident	88.4	Confident	108 Å²	108	49.5 Å²	49.5	47%	0.47	26%	0.259	S	S	.	.			trans	-117.1	115.7	178.1	-64.2	176.8	-172.6	163.3	0	109.2	P64 F68	P64-K66 VanDerWaalsContact C-N 3.32Å; K66-F68 PolarHBondContact O-N 2.92Å
67	T	80.8	Confident	88.4	Confident	23 Å²	23	48.1 Å²	48.1	14%	0.141	25%	0.252	C	S	.	.	S	Bend	trans	-75.5	-9.1	-178.1	44.6	0	0	0	0	114.3	Y55 M432 L434	Y55-T67 HydrophobicContact CD1-CG2 3.57Å; Y55-T67 HydrophobicContact CD2-CG2 3.96Å; Y55-T67 VanDerWaalsContact CE1-CB 3.46Å; Y55-T67 HydrophobicContact CE1-CG2 3.62Å; Y55-T67 HydrophobicContact CE2-CG2 4.02Å; Y55-T67 HydrophobicContact CG-CG2 3.73Å; T67-M432 HydrophobicContact CG2-CB 4.3Å; T67-M432 PolarHBondContact OG1-N 3.4Å; T67-M432 VanDerWaalsContact OG1-N 3.14Å; T67-M432 PolarHBondContact OG1-O 3.41Å; T67-L434 HydrophobicContact CG2-CD1 4.12Å; T67-L434 HydrophobicContact CG2-CD2 3.95Å; T67-L434 HydrophobicContact CG2-CG 3.97Å
68	F	72.3	Confident	88.4	Confident	162 Å²	162	48.6 Å²	48.6	71%	0.711	25%	0.254	S	S	*	.	S	Bend	trans	-141.5	70.8	178.7	-167.7	-98.8	0	0	0	109.4	K66	K66-F68 PolarHBondContact O-N 2.92Å
69	S	67.9	Low	88.6	Confident	39 Å²	39	43.6 Å²	43.6	27%	0.273	22%	0.222	S	C	.	.			trans	-149.8	144.7	175.5	-170.4	0	0	0	0	109.7	I71	S69-I71 PolarHBondContact O-N 3.08Å; S69-I71 WeakPolarHBondContact OG-CB 3.35Å; S69-I71 PolarHBondContact OG-N 3.42Å
70	D	69.4	Low	88.9	Confident	163 Å²	163	39.2 Å²	39.2	87%	0.872	20%	0.195	S	C	*	.	S	Bend	trans	-67.9	-17.9	168.1	-58.7	-37.8	0	0	0	111.6	K72	D70-K72 PolarHBondContact O-N 3.28Å
71	I	71.8	Confident	89	Confident	85 Å²	85	38.7 Å²	38.7	44%	0.436	19%	0.192	S	C	.	.	S	Bend	trans	-80.7	108.6	176.9	-55.3	175	0	0	0	109.1	S69 E73	S69-I71 PolarHBondContact O-N 3.08Å; S69-I71 WeakPolarHBondContact OG-CB 3.35Å; S69-I71 PolarHBondContact OG-N 3.42Å; I71-E73 VanDerWaalsContact CG2-CD 3.49Å; I71-E73 HydrophobicContact CG2-CG 3.78Å; I71-E73 WeakPolarHBondContact CG2-OE1 3.44Å; I71-E73 PolarHBondContact O-N 2.93Å
72	K	86.2	Confident	89.1	Confident	98 Å²	98	38.7 Å²	38.7	43%	0.426	19%	0.192	S	C	.	.			trans	-88.8	71.6	-175.9	-64.6	-67.8	-172.5	166.6	0	112	D70 N146 V147 D148	D70-K72 PolarHBondContact O-N 3.28Å; K72-N146 CarbonylContact O-C 3.54Å; K72-N146 VanDerWaalsContact O-CA 3.27Å; K72-N146 WeakPolarHBondContact O-CA 3.47Å; K72-V147 VanDerWaalsContact C-CG2 3.46Å; K72-V147 HydrophobicContact CB-CB 4.16Å; K72-V147 HydrophobicContact CB-CG2 4.32Å; K72-V147 PolarHBondContact O-N 3.07Å; K72-D148 WeakPolarHBondContact CD-OD2 3.39Å; K72-D148 IonicContact NZ-OD2 3.33Å
73	E	92.9	Very high	89.1	Confident	22 Å²	22	38.6 Å²	38.6	10%	0.103	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.9	178.5	-76.7	163.5	-165.4	0	0	112.9	P64 V65 I71 V144 V147 V153 Y154	P64-E73 CarbonylContact C-O 3.56Å; P64-E73 VanDerWaalsContact CA-O 3.28Å; P64-E73 WeakPolarHBondContact CA-O 3.24Å; V65-E73 PolarHBondContact N-O 3.49Å; I71-E73 VanDerWaalsContact CG2-CD 3.49Å; I71-E73 HydrophobicContact CG2-CG 3.78Å; I71-E73 WeakPolarHBondContact CG2-OE1 3.44Å; I71-E73 PolarHBondContact O-N 2.93Å; E73-V144 HydrophobicContact CB-CG1 4.22Å; E73-V144 HydrophobicContact CG-CG1 4.22Å; E73-V147 WeakPolarHBondContact O-CG2 3.36Å; E73-V153 HydrophobicContact CG-CG1 4.05Å; E73-V153 HydrophobicContact CG-CG2 4.46Å; E73-Y154 HydrophobicContact CG-CE2 4.33Å; E73-Y154 WeakPolarHBondContact OE1-CE2 3.31Å; E73-Y154 VanDerWaalsContact OE1-CZ 3.22Å; E73-Y154 PolarHBondContact OE1-OH 2.92Å
74	A	95.1	Very high	89.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126	172.1	0	0	0	0	0	110.1	L62 F63 V144 F145 V147	L62-A74 HydrophobicContact CB-CB 3.77Å; L62-A74 HydrophobicContact CD1-CB 3.97Å; L62-A74 HydrophobicContact CG-CB 4.38Å; F63-A74 WeakPolarHBondContact O-CA 3.35Å; F63-A74 VanDerWaalsContact O-CB 3.3Å; F63-A74 WeakPolarHBondContact O-CB 3.32Å; A74-V144 WeakPolarHBondContact O-CA 3.26Å; A74-F145 PolarHBondContact N-O 2.99Å; A74-F145 PolarHBondContact O-N 3.47Å; A74-V147 HydrophobicContact CB-CG2 3.82Å
75	K	95.9	Very high	89.4	Confident	35 Å²	35	37.8 Å²	37.8	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.5	167.8	-80	172.8	-177.7	-152.4	0	109.4	V65 R77 D78 S79 V144 Y159 E214	V65-K75 HydrophobicContact CG1-CD 4.38Å; V65-K75 HydrophobicContact CG2-CB 3.83Å; V65-K75 HydrophobicContact CG2-CD 3.68Å; V65-K75 HydrophobicContact CG2-CG 3.52Å; K75-R77 PolarHBondContact O-N 3.31Å; K75-D78 HydrophobicContact CB-CB 4.14Å; K75-D78 PolarHBondContact O-N 3.13Å; K75-S79 WeakPolarHBondContact O-CB 3.26Å; K75-S79 PolarHBondContact O-N 3.4Å; K75-S79 PolarHBondContact O-OG 2.94Å; K75-V144 HydrophobicContact CG-CG2 3.95Å; K75-Y159 WeakPolarHBondContact CE-OH 3.44Å; K75-Y159 PolarHBondContact NZ-OH 3.31Å; K75-E214 IonicContact NZ-OE1 2.69Å; K75-E214 PolarHBondContact NZ-OE1 3.02Å; K75-E214 IonicContact NZ-OE2 3.14Å; K75-E214 PolarHBondContact NZ-OE2 3.23Å
76	V	97.2	Very high	90	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-49.9	177.8	172.4	0	0	0	0	110.6	D78 S79 L80 I117 Y121 S143 F145	V76-D78 PolarHBondContact O-N 3.26Å; V76-S79 PolarHBondContact O-N 3.04Å; V76-L80 HydrophobicContact CG1-CD1 3.82Å; V76-L80 HydrophobicContact CG1-CG 4.26Å; V76-L80 VanDerWaalsContact O-CG 3.28Å; V76-L80 WeakPolarHBondContact O-CG 3.44Å; V76-L80 PolarHBondContact O-N 3.45Å; V76-I117 HydrophobicContact CG1-CD1 4.28Å; V76-I117 HydrophobicContact CG1-CG2 3.99Å; V76-I117 HydrophobicContact CG2-CG2 4.41Å; V76-Y121 HydrophobicContact CG2-CE1 4.26Å; V76-S143 PolarHBondContact N-O 3.46Å; V76-F145 HydrophobicContact CG2-CD2 4.05Å; V76-F145 HydrophobicContact CG2-CE2 3.74Å
77	R	96.6	Very high	90.7	Very high	8 Å²	8	31.1 Å²	31.1	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-51	-178	-167.1	-178	-51.6	109.6	5.9	112.7	K75 S79 L80 Y81 D165 L169 M212 W435	K75-R77 PolarHBondContact O-N 3.31Å; R77-S79 VanDerWaalsContact C-N 3.29Å; R77-S79 PolarHBondContact O-N 3.32Å; R77-L80 WeakPolarHBondContact O-CB 3.17Å; R77-L80 PolarHBondContact O-N 3.35Å; R77-Y81 HydrophobicContact CG-CD2 4.07Å; R77-Y81 HydrophobicContact CG-CE2 3.69Å; R77-Y81 VanDerWaalsContact O-CD2 3.25Å; R77-Y81 WeakPolarHBondContact O-CD2 3.49Å; R77-Y81 PolarHBondContact O-N 3.11Å; R77-D165 IonicContact CZ-OD2 2.98Å; R77-D165 IonicContact NE-OD2 3.36Å; R77-D165 PolarHBondContact NE-OD2 3.38Å; R77-D165 IonicContact NH2-OD1 2.65Å; R77-D165 PolarHBondContact NH2-OD1 3.09Å; R77-D165 IonicContact NH2-OD2 2.97Å; R77-D165 PolarHBondContact NH2-OD2 3.32Å; R77-L169 HydrophobicContact CG-CD2 3.85Å; R77-M212 VanDerWaalsContact CZ-CG 3.44Å; R77-M212 PolarHBondContact NH1-O 2.94Å; R77-M212 PolarHBondContact NH2-O 3.35Å; R77-W435 HydrophobicContact CG-CH2 4.47Å
78	D	95.3	Very high	91.5	Very high	13 Å²	13	30 Å²	30	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-41.7	179.3	-63.6	43.3	0	0	0	111	K75 V76 Y81 C82	K75-D78 HydrophobicContact CB-CB 4.14Å; K75-D78 PolarHBondContact O-N 3.13Å; V76-D78 PolarHBondContact O-N 3.26Å; D78-Y81 PolarHBondContact O-N 2.92Å; D78-C82 PolarHBondContact O-N 3.48Å; D78-C82 VanDerWaalsContact O-N 3.15Å; D78-C82 PolarHBondContact O-SG 3.28Å
79	S	98	Very high	92.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-39.3	177.4	-59.9	0	0	0	0	112.4	F63 K75 V76 R77 C82 A83 C113	F63-S79 PolarHBondContact N-OG 3.28Å; F63-S79 PolarHBondContact O-OG 3.05Å; K75-S79 WeakPolarHBondContact O-CB 3.26Å; K75-S79 PolarHBondContact O-N 3.4Å; K75-S79 PolarHBondContact O-OG 2.94Å; V76-S79 PolarHBondContact O-N 3.04Å; R77-S79 VanDerWaalsContact C-N 3.29Å; R77-S79 PolarHBondContact O-N 3.32Å; S79-C82 PolarHBondContact O-N 3.17Å; S79-A83 PolarHBondContact O-N 2.84Å; S79-C113 PolarHBondContact O-SG 3.28Å
80	L	98.3	Very high	94	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.9	-45.2	176.3	-72.6	168.8	0	0	0	112.3	V76 R77 C82 A83 A84 M114 I117 L169 F170 Y173	V76-L80 HydrophobicContact CG1-CD1 3.82Å; V76-L80 HydrophobicContact CG1-CG 4.26Å; V76-L80 VanDerWaalsContact O-CG 3.28Å; V76-L80 WeakPolarHBondContact O-CG 3.44Å; V76-L80 PolarHBondContact O-N 3.45Å; R77-L80 WeakPolarHBondContact O-CB 3.17Å; R77-L80 PolarHBondContact O-N 3.35Å; L80-C82 VanDerWaalsContact C-N 3.33Å; L80-C82 PolarHBondContact O-N 3.12Å; L80-A83 PolarHBondContact O-N 2.8Å; L80-A84 WeakPolarHBondContact O-CB 3.32Å; L80-A84 PolarHBondContact O-N 3.13Å; L80-M114 HydrophobicContact CD2-CE 4.16Å; L80-M114 HydrophobicContact CD2-SD 3.46Å; L80-M114 WeakPolarHBondContact CD2-SD 3.4Å; L80-I117 HydrophobicContact CD2-CD1 3.65Å; L80-I117 HydrophobicContact CG-CD1 3.84Å; L80-L169 HydrophobicContact CB-CD2 4.3Å; L80-L169 HydrophobicContact CD1-CB 4.01Å; L80-L169 HydrophobicContact CD1-CD2 3.92Å; L80-L169 HydrophobicContact CD1-CG 3.85Å; L80-F170 HydrophobicContact CD1-CB 3.98Å; L80-F170 HydrophobicContact CD2-CB 4.23Å; L80-F170 HydrophobicContact CD2-CD2 4.07Å; L80-Y173 HydrophobicContact CB-CD2 4.13Å; L80-Y173 HydrophobicContact CB-CE2 4.44Å; L80-Y173 HydrophobicContact CD2-CD2 4.46Å
81	Y	98	Very high	95.2	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-66.6	-35.3	177.5	-74.3	-67.6	0	0	0	112.3	R77 D78 A84 C85 L169 Y173 Y363 W435 A438 M439	R77-Y81 HydrophobicContact CG-CD2 4.07Å; R77-Y81 HydrophobicContact CG-CE2 3.69Å; R77-Y81 VanDerWaalsContact O-CD2 3.25Å; R77-Y81 WeakPolarHBondContact O-CD2 3.49Å; R77-Y81 PolarHBondContact O-N 3.11Å; D78-Y81 PolarHBondContact O-N 2.92Å; Y81-A84 PolarHBondContact O-N 3.01Å; Y81-C85 PolarHBondContact O-N 2.84Å; Y81-L169 HydrophobicContact CD2-CD2 4.39Å; Y81-L169 HydrophobicContact CE2-CD2 3.75Å; Y81-Y173 HydrophobicContact CD1-CE2 4.45Å; Y81-Y173 HydrophobicContact CE1-CE2 4.43Å; Y81-Y363 PolarHBondContact OH-OH 2.89Å; Y81-Y363 VanDerWaalsContact OH-OH 3.14Å; Y81-W435 AromaticContact CD1-NE1 3.98Å; Y81-W435 AromaticContact CD2-CD1 3.31Å; Y81-W435 HydrophobicContact CD2-CD2 4.07Å; Y81-W435 AromaticContact CD2-CE2 3.55Å; Y81-W435 AromaticContact CD2-CG 3.97Å; Y81-W435 HydrophobicContact CD2-CG 3.97Å; Y81-W435 HydrophobicContact CD2-CZ2 4.18Å; Y81-W435 AromaticContact CD2-NE1 3.05Å; Y81-W435 AromaticContact CE2-CD1 3.89Å; Y81-W435 HydrophobicContact CE2-CD2 4.27Å; Y81-W435 AromaticContact CE2-CE2 3.36Å; Y81-W435 AromaticContact CE2-CZ2 3.53Å; Y81-W435 HydrophobicContact CE2-CZ2 3.53Å; Y81-W435 AromaticContact CE2-NE1 3.11Å; Y81-W435 AromaticContact CG-CD1 3.5Å; Y81-W435 HydrophobicContact CG-CG 4.43Å; Y81-W435 AromaticContact CG-NE1 3.51Å; Y81-W435 AromaticContact CZ-NE1 3.62Å; Y81-A438 WeakPolarHBondContact O-CB 3.39Å; Y81-M439 HydrophobicContact CD1-CG 4.36Å; Y81-M439 HydrophobicContact CD1-SD 3.38Å; Y81-M439 WeakPolarHBondContact CD1-SD 3.48Å; Y81-M439 HydrophobicContact CE1-SD 3.62Å; Y81-M439 HydrophobicContact CG-SD 4.26Å
82	C	98.3	Very high	96.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.4	-44.1	172.9	-63.2	0	0	0	0	111.7	I52 F63 D78 S79 L80 C85 A86	I52-C82 HydrophobicContact CG2-CB 3.98Å; F63-C82 HydrophobicContact CB-CB 4.3Å; F63-C82 HydrophobicContact CD1-CB 3.8Å; F63-C82 HydrophobicContact CD2-CB 3.41Å; F63-C82 VanDerWaalsContact CD2-CB 3.41Å; F63-C82 HydrophobicContact CE1-CB 3.88Å; F63-C82 HydrophobicContact CE2-CB 3.51Å; F63-C82 HydrophobicContact CG-CB 3.56Å; F63-C82 HydrophobicContact CZ-CB 3.74Å; D78-C82 PolarHBondContact O-N 3.48Å; D78-C82 VanDerWaalsContact O-N 3.15Å; D78-C82 PolarHBondContact O-SG 3.28Å; S79-C82 PolarHBondContact O-N 3.17Å; L80-C82 VanDerWaalsContact C-N 3.33Å; L80-C82 PolarHBondContact O-N 3.12Å; C82-C85 PolarHBondContact O-N 2.9Å; C82-A86 PolarHBondContact O-N 2.91Å; C82-A86 VanDerWaalsContact O-N 3.13Å
83	A	98.4	Very high	96.5	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-61.9	-42.2	174	0	0	0	0	0	111.8	S79 L80 C85 A86 W87 A110 C113 M177	S79-A83 PolarHBondContact O-N 2.84Å; L80-A83 PolarHBondContact O-N 2.8Å; A83-C85 VanDerWaalsContact C-N 3.29Å; A83-C85 PolarHBondContact O-N 3.41Å; A83-A86 PolarHBondContact O-N 2.92Å; A83-W87 WeakPolarHBondContact O-CB 3.46Å; A83-W87 PolarHBondContact O-N 3.31Å; A83-A110 HydrophobicContact CB-CB 4.46Å; A83-C113 HydrophobicContact CB-CB 3.88Å; A83-M177 HydrophobicContact CB-CE 4.18Å
84	A	98.1	Very high	96.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.8	-35.6	176	0	0	0	0	0	112.3	L80 Y81 A88 Y173 M177 I442	L80-A84 WeakPolarHBondContact O-CB 3.32Å; L80-A84 PolarHBondContact O-N 3.13Å; Y81-A84 PolarHBondContact O-N 3.01Å; A84-A88 VanDerWaalsContact O-CB 3.25Å; A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 3.37Å; A84-Y173 HydrophobicContact CB-CD1 4.4Å; A84-Y173 HydrophobicContact CB-CE1 3.81Å; A84-Y173 HydrophobicContact CB-CE2 4.24Å; A84-M177 HydrophobicContact CB-CE 4.41Å; A84-I442 HydrophobicContact CB-CD1 4.22Å
85	C	98.1	Very high	95.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.4	-45	175.2	172.4	0	0	0	0	112.5	Y81 C82 A83 A88 L89 A438 N441 I442	Y81-C85 PolarHBondContact O-N 2.84Å; C82-C85 PolarHBondContact O-N 2.9Å; A83-C85 VanDerWaalsContact C-N 3.29Å; A83-C85 PolarHBondContact O-N 3.41Å; C85-A88 PolarHBondContact O-N 2.82Å; C85-L89 PolarHBondContact O-N 2.83Å; C85-L89 VanDerWaalsContact O-N 3.15Å; C85-A438 HydrophobicContact CB-CB 3.69Å; C85-N441 VanDerWaalsContact SG-CB 3.58Å; C85-I442 HydrophobicContact CB-CD1 4.26Å; C85-I442 HydrophobicContact CB-CG1 4.21Å
86	A	98.1	Very high	95.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.4	-44	175.1	0	0	0	0	0	111.3	L53 C82 A83 L89 G90	L53-A86 HydrophobicContact CD2-CB 4.13Å; C82-A86 PolarHBondContact O-N 2.91Å; C82-A86 VanDerWaalsContact O-N 3.13Å; A83-A86 PolarHBondContact O-N 2.92Å; A86-L89 PolarHBondContact O-N 2.73Å; A86-G90 PolarHBondContact O-N 2.77Å
87	W	97.9	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-48	175.5	170.4	53.6	0	0	0	112.7	A83 L89 G90 M91 A110 Y173 E176 M177 S180 D455 I456 P458	A83-W87 WeakPolarHBondContact O-CB 3.46Å; A83-W87 PolarHBondContact O-N 3.31Å; W87-L89 VanDerWaalsContact C-N 3.3Å; W87-L89 PolarHBondContact O-N 3.14Å; W87-G90 WeakPolarHBondContact O-CA 3.31Å; W87-G90 PolarHBondContact O-N 3.17Å; W87-G90 VanDerWaalsContact O-N 3.09Å; W87-M91 WeakPolarHBondContact O-CG 3.34Å; W87-M91 PolarHBondContact O-N 3.47Å; W87-A110 HydrophobicContact CB-CB 3.99Å; W87-Y173 HydrophobicContact CZ3-CD1 4.47Å; W87-Y173 HydrophobicContact CZ3-CE1 4.47Å; W87-E176 HydrophobicContact CH2-CB 3.8Å; W87-E176 HydrophobicContact CZ2-CB 4.46Å; W87-E176 HydrophobicContact CZ3-CB 4.4Å; W87-M177 HydrophobicContact CB-CE 3.99Å; W87-M177 HydrophobicContact CD2-CE 4.26Å; W87-M177 HydrophobicContact CD2-CG 3.86Å; W87-M177 HydrophobicContact CE3-CE 4.09Å; W87-M177 HydrophobicContact CE3-CG 4.18Å; W87-M177 HydrophobicContact CG-CE 4.26Å; W87-M177 HydrophobicContact CG-CG 4.11Å; W87-S180 PolarHBondContact NE1-OG 3.18Å; W87-D455 WeakPolarHBondContact CZ2-O 3.46Å; W87-I456 VanDerWaalsContact CH2-CA 3.44Å; W87-I456 HydrophobicContact CH2-CB 4.28Å; W87-I456 WeakPolarHBondContact CH2-O 3.42Å; W87-I456 HydrophobicContact CZ3-CB 4.08Å; W87-I456 HydrophobicContact CZ3-CG2 4.36Å; W87-P458 HydrophobicContact CZ2-CG 4.47Å
88	A	97.6	Very high	92.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-40	179.2	0	0	0	0	0	112.2	A84 C85 M91 A92 I442 L445 I451 I456	A84-A88 VanDerWaalsContact O-CB 3.25Å; A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 3.37Å; C85-A88 PolarHBondContact O-N 2.82Å; A88-M91 PolarHBondContact O-N 3.2Å; A88-A92 PolarHBondContact O-N 3.06Å; A88-I442 HydrophobicContact CB-CG1 4.1Å; A88-L445 HydrophobicContact CB-CD1 4.26Å; A88-I451 HydrophobicContact CB-CD1 3.93Å; A88-I451 WeakPolarHBondContact O-CG2 3.38Å; A88-I456 HydrophobicContact CB-CG2 3.8Å
89	L	96.7	Very high	91.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.1	-39.2	174.4	-176	61	0	0	0	112	L41 V48 C85 A86 W87 M91 A92 Y93 L106 L445	L41-L89 HydrophobicContact CD2-CD1 4Å; V48-L89 HydrophobicContact CB-CD2 3.84Å; V48-L89 HydrophobicContact CG1-CD2 4.22Å; V48-L89 HydrophobicContact CG2-CD2 3.79Å; C85-L89 PolarHBondContact O-N 2.83Å; C85-L89 VanDerWaalsContact O-N 3.15Å; A86-L89 PolarHBondContact O-N 2.73Å; W87-L89 VanDerWaalsContact C-N 3.3Å; W87-L89 PolarHBondContact O-N 3.14Å; L89-M91 VanDerWaalsContact C-N 3.29Å; L89-M91 PolarHBondContact O-N 3.46Å; L89-A92 HydrophobicContact CD1-CB 4.49Å; L89-A92 VanDerWaalsContact O-CB 3.31Å; L89-A92 WeakPolarHBondContact O-CB 3.38Å; L89-A92 PolarHBondContact O-N 3.03Å; L89-A92 VanDerWaalsContact O-N 3.09Å; L89-Y93 HydrophobicContact CD1-CD2 4.17Å; L89-Y93 HydrophobicContact CD1-CE2 3.98Å; L89-Y93 HydrophobicContact CD2-CE2 4.33Å; L89-Y93 HydrophobicContact CG-CD2 4.06Å; L89-Y93 HydrophobicContact CG-CE2 4.01Å; L89-Y93 WeakPolarHBondContact O-CD2 3.22Å; L89-Y93 PolarHBondContact O-N 3.42Å; L89-Y93 VanDerWaalsContact O-N 3.08Å; L89-L106 HydrophobicContact CB-CD1 4.14Å; L89-L106 HydrophobicContact CB-CD2 4.46Å; L89-L106 HydrophobicContact CD2-CD1 3.88Å; L89-L106 HydrophobicContact CD2-CD2 3.94Å; L89-L106 HydrophobicContact CG-CD1 3.69Å; L89-L106 HydrophobicContact CG-CD2 4.41Å; L89-L445 HydrophobicContact CB-CD1 4.15Å; L89-L445 HydrophobicContact CD1-CD1 4.29Å; L89-L445 HydrophobicContact CD1-CD2 3.95Å
90	G	95.6	Very high	90.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-41.8	173.6	0	0	0	0	0	111.9	A86 W87 A92 Y93 R94	A86-G90 PolarHBondContact O-N 2.77Å; W87-G90 WeakPolarHBondContact O-CA 3.31Å; W87-G90 PolarHBondContact O-N 3.17Å; W87-G90 VanDerWaalsContact O-N 3.09Å; G90-A92 VanDerWaalsContact C-N 3.27Å; G90-A92 PolarHBondContact O-N 3.31Å; G90-Y93 PolarHBondContact O-N 3.42Å; G90-Y93 VanDerWaalsContact O-N 3.16Å; G90-R94 PolarHBondContact O-N 3.08Å
91	M	94.8	Very high	90.1	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-35	173.6	-71.8	-52.7	-44.7	0	0	113.1	W87 A88 L89 R94 D455	W87-M91 WeakPolarHBondContact O-CG 3.34Å; W87-M91 PolarHBondContact O-N 3.47Å; A88-M91 PolarHBondContact O-N 3.2Å; L89-M91 VanDerWaalsContact C-N 3.29Å; L89-M91 PolarHBondContact O-N 3.46Å; M91-R94 PolarHBondContact SD-NH1 3.35Å; M91-D455 HydrophobicContact CB-CB 4.25Å; M91-D455 HydrophobicContact CE-CB 4.48Å
92	A	93.4	Very high	89.8	Confident	1 Å²	1	39 Å²	39	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-42.9	174.9	0	0	0	0	0	111.6	L41 A88 L89 G90 R94 R95 I451	L41-A92 HydrophobicContact CD2-CB 3.53Å; A88-A92 PolarHBondContact O-N 3.06Å; L89-A92 HydrophobicContact CD1-CB 4.49Å; L89-A92 VanDerWaalsContact O-CB 3.31Å; L89-A92 WeakPolarHBondContact O-CB 3.38Å; L89-A92 PolarHBondContact O-N 3.03Å; L89-A92 VanDerWaalsContact O-N 3.09Å; G90-A92 VanDerWaalsContact C-N 3.27Å; G90-A92 PolarHBondContact O-N 3.31Å; A92-R94 PolarHBondContact O-N 3.43Å; A92-R95 WeakPolarHBondContact O-CB 3.47Å; A92-R95 PolarHBondContact O-N 3.42Å; A92-I451 HydrophobicContact CB-CG2 3.51Å
93	Y	92.6	Very high	89.5	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-68.4	-28.8	178.7	-86.3	-74.5	0	0	0	113.8	L41 D42 Y45 L89 G90 R95 I96 D99 R102 T103 L106	L41-Y93 HydrophobicContact CB-CD1 4.46Å; L41-Y93 HydrophobicContact CB-CE1 3.82Å; L41-Y93 HydrophobicContact CB-CE2 4.17Å; L41-Y93 HydrophobicContact CD1-CD1 4.3Å; L41-Y93 HydrophobicContact CD1-CE1 4.43Å; L41-Y93 PolarHBondContact O-OH 3.28Å; L41-Y93 VanDerWaalsContact O-OH 3.09Å; D42-Y93 WeakPolarHBondContact CA-OH 3.48Å; D42-Y93 PolarHBondContact N-OH 3.34Å; D42-Y93 PolarHBondContact OD1-OH 3.23Å; Y45-Y93 WeakPolarHBondContact CB-OH 3.41Å; Y45-Y93 HydrophobicContact CD2-CE2 4.22Å; Y45-Y93 HydrophobicContact CG-CE2 4.45Å; L89-Y93 HydrophobicContact CD1-CD2 4.17Å; L89-Y93 HydrophobicContact CD1-CE2 3.98Å; L89-Y93 HydrophobicContact CD2-CE2 4.33Å; L89-Y93 HydrophobicContact CG-CD2 4.06Å; L89-Y93 HydrophobicContact CG-CE2 4.01Å; L89-Y93 WeakPolarHBondContact O-CD2 3.22Å; L89-Y93 PolarHBondContact O-N 3.42Å; L89-Y93 VanDerWaalsContact O-N 3.08Å; G90-Y93 PolarHBondContact O-N 3.42Å; G90-Y93 VanDerWaalsContact O-N 3.16Å; Y93-R95 PolarHBondContact O-N 3.48Å; Y93-I96 HydrophobicContact CD1-CD1 4.38Å; Y93-I96 PolarHBondContact O-N 2.87Å; Y93-D99 HydrophobicContact CD1-CB 4.02Å; Y93-R102 HydrophobicContact CE2-CB 4.46Å; Y93-T103 WeakPolarHBondContact CB-OG1 3.31Å; Y93-L106 HydrophobicContact CD2-CD1 3.67Å; Y93-L106 HydrophobicContact CE2-CD1 4.06Å
94	R	89.8	Confident	89.2	Confident	91 Å²	91	45.5 Å²	45.5	34%	0.343	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-19	172.3	-76.7	-175	179.7	178.3	0.9	114.6	G90 M91 A92 T103 E107 S180	G90-R94 PolarHBondContact O-N 3.08Å; M91-R94 PolarHBondContact SD-NH1 3.35Å; A92-R94 PolarHBondContact O-N 3.43Å; R94-T103 HydrophobicContact CG-CG2 3.71Å; R94-E107 IonicContact CZ-OE1 3.1Å; R94-E107 IonicContact NE-OE1 2.78Å; R94-E107 PolarHBondContact NE-OE1 3.43Å; R94-E107 IonicContact NH2-OE1 2.74Å; R94-E107 PolarHBondContact NH2-OE1 3.45Å; R94-E107 IonicContact NH2-OE2 3.89Å; R94-E107 PolarHBondContact NH2-OE2 2.85Å; R94-E107 VanDerWaalsContact NH2-OE2 3.08Å; R94-S180 PolarHBondContact NH1-O 2.97Å
95	R	85.6	Confident	89.1	Confident	117 Å²	117	48.9 Å²	48.9	44%	0.442	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.7	177.3	-59.7	174.9	173.4	-165	-6.5	112.7	A92 Y93 L450 D455	A92-R95 WeakPolarHBondContact O-CB 3.47Å; A92-R95 PolarHBondContact O-N 3.42Å; Y93-R95 PolarHBondContact O-N 3.48Å; R95-L450 PolarHBondContact NH1-O 3.3Å; R95-D455 IonicContact CZ-OD2 3.58Å; R95-D455 IonicContact NH2-OD1 3.34Å; R95-D455 IonicContact NH2-OD2 2.69Å; R95-D455 PolarHBondContact NH2-OD2 3.39Å
96	I	82.6	Confident	89	Confident	37 Å²	37	48.9 Å²	48.9	19%	0.19	24%	0.244	C	C	.	.	S	Bend	trans	-112.8	137.6	178.2	-57	176.7	0	0	0	109.3	L37 W38 L41 Y93	L37-I96 HydrophobicContact CD2-CD1 4.38Å; L37-I96 HydrophobicContact CD2-CG1 4.11Å; L37-I96 HydrophobicContact CG-CD1 4.26Å; W38-I96 HydrophobicContact CB-CD1 4.19Å; L41-I96 HydrophobicContact CD1-CD1 3.39Å; L41-I96 HydrophobicContact CD1-CG1 4.25Å; Y93-I96 HydrophobicContact CD1-CD1 4.38Å; Y93-I96 PolarHBondContact O-N 2.87Å
97	D	62.8	Low	88.9	Confident	180 Å²	180	50.1 Å²	50.1	96%	0.963	25%	0.25	S	C	*	.	S	Bend	trans	-73.6	-28.4	-178.4	-76	-24.6	0	0	0	114.5
98	D	71.1	Confident	88.8	Confident	120 Å²	120	54.5 Å²	54.5	64%	0.642	27%	0.27	S	S	*	.			trans	-130.5	100.7	177.3	-174.2	4	0	0	0	110.5	L100	D98-L100 PolarHBondContact OD1-N 3.12Å
99	D	74.9	Confident	88.9	Confident	32 Å²	32	54.9 Å²	54.9	17%	0.171	27%	0.273	C	S	.	.			trans	-105.9	6.7	-175.7	72.8	-20.3	0	0	0	113.1	Y93 G101 R102 T103	Y93-D99 HydrophobicContact CD1-CB 4.02Å; D99-G101 PolarHBondContact O-N 2.94Å; D99-G101 VanDerWaalsContact O-N 3.13Å; D99-G101 PolarHBondContact OD1-N 3.12Å; D99-R102 WeakPolarHBondContact O-CB 3.38Å; D99-R102 VanDerWaalsContact O-CG 3.24Å; D99-R102 WeakPolarHBondContact O-CG 3.44Å; D99-R102 PolarHBondContact O-N 3.32Å; D99-R102 VanDerWaalsContact O-N 3.1Å; D99-R102 PolarHBondContact OD2-N 3.14Å; D99-T103 WeakPolarHBondContact OD2-CA 3.32Å; D99-T103 WeakPolarHBondContact OD2-CB 3.25Å; D99-T103 PolarHBondContact OD2-N 3.36Å; D99-T103 PolarHBondContact OD2-OG1 3.15Å
100	L	82.5	Confident	88.9	Confident	135 Å²	135	54.9 Å²	54.9	71%	0.707	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	26.2	-174.1	-54.6	175.2	0	0	0	114	D98	D98-L100 PolarHBondContact OD1-N 3.12Å
101	G	86.1	Confident	89.1	Confident	38 Å²	38	55.5 Å²	55.5	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	8.2	-180	0	0	0	0	0	115.2	D99 H104 E105	D99-G101 PolarHBondContact O-N 2.94Å; D99-G101 VanDerWaalsContact O-N 3.13Å; D99-G101 PolarHBondContact OD1-N 3.12Å; G101-H104 WeakPolarHBondContact O-CB 3.47Å; G101-H104 PolarHBondContact O-N 3.31Å; G101-E105 PolarHBondContact O-N 3.45Å; G101-E105 VanDerWaalsContact O-N 3.17Å
102	R	90.9	Very high	89.2	Confident	48 Å²	48	58.5 Å²	58.5	18%	0.181	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-37.3	-179	-69.7	176	178.9	147.2	-19.4	113.3	D42 Y45 Y93 D99 H104 E105 L106	D42-R102 VanDerWaalsContact CG-NH2 3.25Å; D42-R102 IonicContact OD1-CZ 2.66Å; D42-R102 IonicContact OD1-NH1 3.93Å; D42-R102 PolarHBondContact OD1-NH1 2.82Å; D42-R102 IonicContact OD1-NH2 2.95Å; D42-R102 PolarHBondContact OD1-NH2 2.83Å; D42-R102 IonicContact OD2-CZ 3.04Å; D42-R102 IonicContact OD2-NH1 2.8Å; D42-R102 PolarHBondContact OD2-NH1 3.48Å; D42-R102 VanDerWaalsContact OD2-NH1 3.12Å; D42-R102 IonicContact OD2-NH2 3.04Å; D42-R102 PolarHBondContact OD2-NH2 2.9Å; Y45-R102 HydrophobicContact CD2-CB 4.19Å; Y45-R102 HydrophobicContact CD2-CG 4.07Å; Y45-R102 HydrophobicContact CE2-CB 3.97Å; Y45-R102 HydrophobicContact CE2-CG 3.71Å; Y93-R102 HydrophobicContact CE2-CB 4.46Å; D99-R102 WeakPolarHBondContact O-CB 3.38Å; D99-R102 VanDerWaalsContact O-CG 3.24Å; D99-R102 WeakPolarHBondContact O-CG 3.44Å; D99-R102 PolarHBondContact O-N 3.32Å; D99-R102 VanDerWaalsContact O-N 3.1Å; D99-R102 PolarHBondContact OD2-N 3.14Å; R102-H104 VanDerWaalsContact C-N 3.28Å; R102-H104 PolarHBondContact O-N 3.38Å; R102-E105 PolarHBondContact O-N 3.13Å; R102-L106 WeakPolarHBondContact O-CB 3.2Å; R102-L106 WeakPolarHBondContact O-CD1 3.41Å; R102-L106 VanDerWaalsContact O-CG 3.23Å; R102-L106 WeakPolarHBondContact O-CG 3.44Å; R102-L106 PolarHBondContact O-N 2.79Å
103	T	92.8	Very high	89.5	Confident	18 Å²	18	58.4 Å²	58.4	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-56.8	-46.9	173.2	-58	0	0	0	0	109.7	Y93 R94 D99 E105 L106 E107	Y93-T103 WeakPolarHBondContact CB-OG1 3.31Å; R94-T103 HydrophobicContact CG-CG2 3.71Å; D99-T103 WeakPolarHBondContact OD2-CA 3.32Å; D99-T103 WeakPolarHBondContact OD2-CB 3.25Å; D99-T103 PolarHBondContact OD2-N 3.36Å; D99-T103 PolarHBondContact OD2-OG1 3.15Å; T103-E105 PolarHBondContact O-N 2.69Å; T103-L106 PolarHBondContact O-N 2.65Å; T103-E107 HydrophobicContact CG2-CG 4.17Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.36Å; T103-E107 VanDerWaalsContact O-CB 3.32Å; T103-E107 WeakPolarHBondContact O-CB 3.45Å; T103-E107 VanDerWaalsContact O-CG 3.27Å; T103-E107 WeakPolarHBondContact O-CG 3.49Å; T103-E107 PolarHBondContact O-N 3.04Å
104	H	92.3	Very high	89.8	Confident	117 Å²	117	58.3 Å²	58.3	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-46.3	179.3	-177.6	-78	0	0	0	111.8	G101 R102 H108	G101-H104 WeakPolarHBondContact O-CB 3.47Å; G101-H104 PolarHBondContact O-N 3.31Å; R102-H104 VanDerWaalsContact C-N 3.28Å; R102-H104 PolarHBondContact O-N 3.38Å; H104-H108 AromaticContact CD2-CE1 3.5Å; H104-H108 PolarHBondContact CD2-CE1 2.9Å; H104-H108 VanDerWaalsContact CD2-CE1 3.5Å; H104-H108 AromaticContact CD2-ND1 3.7Å; H104-H108 AromaticContact CE1-CE1 3.54Å; H104-H108 AromaticContact CE1-CG 3.86Å; H104-H108 AromaticContact CE1-ND1 3.48Å; H104-H108 PolarHBondContact CE1-ND1 3.36Å; H104-H108 AromaticContact CE1-NE2 3.96Å; H104-H108 AromaticContact CG-ND1 3.79Å; H104-H108 AromaticContact ND1-ND1 3.66Å; H104-H108 AromaticContact NE2-CE1 3.15Å; H104-H108 PolarHBondContact NE2-CE1 3.4Å; H104-H108 AromaticContact NE2-ND1 3.53Å; H104-H108 AromaticContact NE2-NE2 3.69Å; H104-H108 VanDerWaalsContact O-CB 3.27Å; H104-H108 WeakPolarHBondContact O-CB 3.49Å; H104-H108 PolarHBondContact O-N 2.88Å; H104-H108 PolarHBondContact O-ND1 2.9Å
105	E	94.6	Very high	90.2	Very high	72 Å²	72	57.2 Å²	57.2	34%	0.336	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-49.4	176.5	-178.6	-174.7	-178.6	0	0	112.1	Y45 K49 G101 R102 T103 H108 S109	Y45-E105 VanDerWaalsContact OH-CD 3.28Å; Y45-E105 PolarHBondContact OH-OE1 3.28Å; Y45-E105 PolarHBondContact OH-OE2 3.13Å; K49-E105 IonicContact NZ-OE1 3.81Å; K49-E105 PolarHBondContact NZ-OE1 3.25Å; K49-E105 IonicContact NZ-OE2 3.04Å; G101-E105 PolarHBondContact O-N 3.45Å; G101-E105 VanDerWaalsContact O-N 3.17Å; R102-E105 PolarHBondContact O-N 3.13Å; T103-E105 PolarHBondContact O-N 2.69Å; E105-H108 PolarHBondContact O-N 3.01Å; E105-S109 WeakPolarHBondContact O-CB 3.48Å; E105-S109 PolarHBondContact O-N 3.32Å
106	L	96.8	Very high	90.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-45.3	-177	-71.5	166.3	0	0	0	112.1	Y45 V48 L53 L89 Y93 R102 T103 S109 A110	Y45-L106 HydrophobicContact CD2-CD1 4.17Å; Y45-L106 HydrophobicContact CD2-CD2 4.43Å; Y45-L106 HydrophobicContact CD2-CG 4.43Å; Y45-L106 HydrophobicContact CE2-CG 4.45Å; V48-L106 HydrophobicContact CG1-CD2 4.37Å; L53-L106 HydrophobicContact CD1-CD2 3.96Å; L89-L106 HydrophobicContact CB-CD1 4.14Å; L89-L106 HydrophobicContact CB-CD2 4.46Å; L89-L106 HydrophobicContact CD2-CD1 3.88Å; L89-L106 HydrophobicContact CD2-CD2 3.94Å; L89-L106 HydrophobicContact CG-CD1 3.69Å; L89-L106 HydrophobicContact CG-CD2 4.41Å; Y93-L106 HydrophobicContact CD2-CD1 3.67Å; Y93-L106 HydrophobicContact CE2-CD1 4.06Å; R102-L106 WeakPolarHBondContact O-CB 3.2Å; R102-L106 WeakPolarHBondContact O-CD1 3.41Å; R102-L106 VanDerWaalsContact O-CG 3.23Å; R102-L106 WeakPolarHBondContact O-CG 3.44Å; R102-L106 PolarHBondContact O-N 2.79Å; T103-L106 PolarHBondContact O-N 2.65Å; L106-S109 WeakPolarHBondContact O-CB 3.36Å; L106-S109 PolarHBondContact O-N 2.81Å; L106-A110 PolarHBondContact O-N 3.29Å; L106-A110 VanDerWaalsContact O-N 3.09Å
107	E	96.1	Very high	91.5	Very high	26 Å²	26	50.2 Å²	50.2	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-43.4	177.9	-72.5	-178.2	-170.6	0	0	112.1	R94 T103 S109 A110 I111 L182	R94-E107 IonicContact CZ-OE1 3.1Å; R94-E107 IonicContact NE-OE1 2.78Å; R94-E107 PolarHBondContact NE-OE1 3.43Å; R94-E107 IonicContact NH2-OE1 2.74Å; R94-E107 PolarHBondContact NH2-OE1 3.45Å; R94-E107 IonicContact NH2-OE2 3.89Å; R94-E107 PolarHBondContact NH2-OE2 2.85Å; R94-E107 VanDerWaalsContact NH2-OE2 3.08Å; T103-E107 HydrophobicContact CG2-CG 4.17Å; T103-E107 WeakPolarHBondContact CG2-OE1 3.36Å; T103-E107 VanDerWaalsContact O-CB 3.32Å; T103-E107 WeakPolarHBondContact O-CB 3.45Å; T103-E107 VanDerWaalsContact O-CG 3.27Å; T103-E107 WeakPolarHBondContact O-CG 3.49Å; T103-E107 PolarHBondContact O-N 3.04Å; E107-S109 VanDerWaalsContact C-N 3.28Å; E107-S109 PolarHBondContact O-N 2.97Å; E107-A110 PolarHBondContact O-N 3.19Å; E107-I111 VanDerWaalsContact O-CG1 3.28Å; E107-I111 WeakPolarHBondContact O-CG1 3.48Å; E107-I111 PolarHBondContact O-N 3.4Å; E107-L182 HydrophobicContact CB-CD2 3.83Å; E107-L182 HydrophobicContact CG-CD2 3.74Å; E107-L182 VanDerWaalsContact OE2-CD2 3.26Å; E107-L182 WeakPolarHBondContact OE2-CD2 3.32Å
108	H	96.4	Very high	93.2	Very high	91 Å²	91	41.8 Å²	41.8	42%	0.421	21%	0.211	S	C	.	.	H	α-helix	trans	-68.7	-29.7	177.2	-78.4	73.6	0	0	0	112	H104 E105 K112	H104-H108 AromaticContact CD2-CE1 3.5Å; H104-H108 PolarHBondContact CD2-CE1 2.9Å; H104-H108 VanDerWaalsContact CD2-CE1 3.5Å; H104-H108 AromaticContact CD2-ND1 3.7Å; H104-H108 AromaticContact CE1-CE1 3.54Å; H104-H108 AromaticContact CE1-CG 3.86Å; H104-H108 AromaticContact CE1-ND1 3.48Å; H104-H108 PolarHBondContact CE1-ND1 3.36Å; H104-H108 AromaticContact CE1-NE2 3.96Å; H104-H108 AromaticContact CG-ND1 3.79Å; H104-H108 AromaticContact ND1-ND1 3.66Å; H104-H108 AromaticContact NE2-CE1 3.15Å; H104-H108 PolarHBondContact NE2-CE1 3.4Å; H104-H108 AromaticContact NE2-ND1 3.53Å; H104-H108 AromaticContact NE2-NE2 3.69Å; H104-H108 VanDerWaalsContact O-CB 3.27Å; H104-H108 WeakPolarHBondContact O-CB 3.49Å; H104-H108 PolarHBondContact O-N 2.88Å; H104-H108 PolarHBondContact O-ND1 2.9Å; E105-H108 PolarHBondContact O-N 3.01Å; H108-K112 WeakPolarHBondContact O-CB 3.44Å; H108-K112 PolarHBondContact O-N 2.83Å
109	S	97.9	Very high	94.5	Very high	9 Å²	9	42 Å²	42	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-46.9	169.8	174.8	0	0	0	0	111.3	L53 Q56 E105 L106 E107 K112 C113	L53-S109 WeakPolarHBondContact CD2-OG 3.32Å; Q56-S109 VanDerWaalsContact CD-OG 3.25Å; Q56-S109 PolarHBondContact NE2-O 3.41Å; Q56-S109 PolarHBondContact NE2-OG 2.94Å; Q56-S109 PolarHBondContact OE1-OG 2.88Å; E105-S109 WeakPolarHBondContact O-CB 3.48Å; E105-S109 PolarHBondContact O-N 3.32Å; L106-S109 WeakPolarHBondContact O-CB 3.36Å; L106-S109 PolarHBondContact O-N 2.81Å; E107-S109 VanDerWaalsContact C-N 3.28Å; E107-S109 PolarHBondContact O-N 2.97Å; S109-K112 PolarHBondContact O-N 3.16Å; S109-C113 PolarHBondContact O-N 3.41Å; S109-C113 VanDerWaalsContact O-N 3.13Å
110	A	98.3	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-48	176.6	0	0	0	0	0	111.8	A83 W87 L106 E107 K112 C113 M114	A83-A110 HydrophobicContact CB-CB 4.46Å; W87-A110 HydrophobicContact CB-CB 3.99Å; L106-A110 PolarHBondContact O-N 3.29Å; L106-A110 VanDerWaalsContact O-N 3.09Å; E107-A110 PolarHBondContact O-N 3.19Å; A110-K112 VanDerWaalsContact C-N 3.3Å; A110-K112 PolarHBondContact O-N 3.1Å; A110-C113 PolarHBondContact O-N 3.05Å; A110-M114 WeakPolarHBondContact O-CG 3.34Å; A110-M114 PolarHBondContact O-N 3.27Å
111	I	98.4	Very high	96.3	Very high	13 Å²	13	34.1 Å²	34.1	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-46	176.8	-69	164.7	0	0	0	110.4	E107 C113 M114 R115 L182 I184	E107-I111 VanDerWaalsContact O-CG1 3.28Å; E107-I111 WeakPolarHBondContact O-CG1 3.48Å; E107-I111 PolarHBondContact O-N 3.4Å; I111-C113 PolarHBondContact O-N 3.29Å; I111-M114 PolarHBondContact O-N 3.45Å; I111-R115 HydrophobicContact CG2-CG 4.18Å; I111-R115 WeakPolarHBondContact O-CB 3.41Å; I111-R115 WeakPolarHBondContact O-CG 3.26Å; I111-R115 PolarHBondContact O-N 3.3Å; I111-L182 HydrophobicContact CD1-CB 4.19Å; I111-L182 HydrophobicContact CD1-CD2 4.32Å; I111-L182 HydrophobicContact CG1-CB 4.09Å; I111-L182 HydrophobicContact CG1-CD1 4.12Å; I111-I184 HydrophobicContact CG1-CG1 4.25Å
112	K	98.3	Very high	96.8	Very high	81 Å²	81	34.3 Å²	34.3	35%	0.352	15%	0.154	S	C	.	.	H	α-helix	trans	-60.8	-44.3	-179.3	-168	179	-176	166.2	0	111.8	P58 H108 S109 A110 R115 G116	P58-K112 VanDerWaalsContact O-CE 3.3Å; P58-K112 WeakPolarHBondContact O-CE 3.39Å; P58-K112 PolarHBondContact O-NZ 3.15Å; H108-K112 WeakPolarHBondContact O-CB 3.44Å; H108-K112 PolarHBondContact O-N 2.83Å; S109-K112 PolarHBondContact O-N 3.16Å; A110-K112 VanDerWaalsContact C-N 3.3Å; A110-K112 PolarHBondContact O-N 3.1Å; K112-R115 PolarHBondContact O-N 3.35Å; K112-G116 PolarHBondContact O-N 3.01Å
113	C	98.5	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-47.9	175.5	-176.5	0	0	0	0	112.1	G61 F63 S79 A83 S109 A110 I111 R115 G116 I117	G61-C113 WeakPolarHBondContact O-CA 3.45Å; G61-C113 VanDerWaalsContact O-CB 3.22Å; G61-C113 WeakPolarHBondContact O-CB 3.38Å; F63-C113 HydrophobicContact CE2-CB 4.02Å; S79-C113 PolarHBondContact O-SG 3.28Å; A83-C113 HydrophobicContact CB-CB 3.88Å; S109-C113 PolarHBondContact O-N 3.41Å; S109-C113 VanDerWaalsContact O-N 3.13Å; A110-C113 PolarHBondContact O-N 3.05Å; I111-C113 PolarHBondContact O-N 3.29Å; C113-R115 VanDerWaalsContact C-N 3.31Å; C113-R115 PolarHBondContact O-N 3.44Å; C113-G116 PolarHBondContact O-N 3.02Å; C113-G116 VanDerWaalsContact O-N 3.15Å; C113-I117 WeakPolarHBondContact O-CG1 3.46Å; C113-I117 PolarHBondContact O-N 3.39Å
114	M	98.6	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-41.5	179	-69.2	-62	-72.7	0	0	111.8	L80 A110 I111 I117 L118 F170 L174 M177 I184	L80-M114 HydrophobicContact CD2-CE 4.16Å; L80-M114 HydrophobicContact CD2-SD 3.46Å; L80-M114 WeakPolarHBondContact CD2-SD 3.4Å; A110-M114 WeakPolarHBondContact O-CG 3.34Å; A110-M114 PolarHBondContact O-N 3.27Å; I111-M114 PolarHBondContact O-N 3.45Å; M114-I117 PolarHBondContact O-N 2.99Å; M114-L118 PolarHBondContact O-N 2.9Å; M114-F170 HydrophobicContact CE-CD2 3.7Å; M114-F170 HydrophobicContact CE-CE2 3.74Å; M114-F170 HydrophobicContact SD-CD2 4.32Å; M114-F170 HydrophobicContact SD-CE2 4.46Å; M114-L174 HydrophobicContact CE-CB 4.01Å; M114-L174 HydrophobicContact CE-CD1 4.39Å; M114-M177 HydrophobicContact CG-SD 3.67Å; M114-M177 HydrophobicContact SD-SD 4.16Å; M114-I184 HydrophobicContact CB-CD1 4.06Å; M114-I184 HydrophobicContact CB-CG2 3.9Å; M114-I184 HydrophobicContact CG-CD1 4.05Å
115	R	98.2	Very high	97.5	Very high	68 Å²	68	31.6 Å²	31.6	26%	0.257	14%	0.139	S	C	.	.	H	α-helix	trans	-68.4	-34.8	174.8	-71.3	-169.9	61.6	70.8	5.4	112.6	I111 K112 C113 L118 Y119 I184 Y186 E190	I111-R115 HydrophobicContact CG2-CG 4.18Å; I111-R115 WeakPolarHBondContact O-CB 3.41Å; I111-R115 WeakPolarHBondContact O-CG 3.26Å; I111-R115 PolarHBondContact O-N 3.3Å; K112-R115 PolarHBondContact O-N 3.35Å; C113-R115 VanDerWaalsContact C-N 3.31Å; C113-R115 PolarHBondContact O-N 3.44Å; R115-L118 PolarHBondContact O-N 3.03Å; R115-Y119 WeakPolarHBondContact O-CB 3.21Å; R115-Y119 PolarHBondContact O-N 3.24Å; R115-I184 HydrophobicContact CG-CG2 4.16Å; R115-I184 PolarHBondContact NH1-O 2.8Å; R115-Y186 WeakPolarHBondContact CD-OH 3.44Å; R115-Y186 VanDerWaalsContact NH1-CE2 3.28Å; R115-E190 IonicContact CZ-OE1 2.67Å; R115-E190 IonicContact NH1-OE1 3.65Å; R115-E190 PolarHBondContact NH1-OE1 3.39Å; R115-E190 IonicContact NH1-OE2 2.76Å; R115-E190 PolarHBondContact NH1-OE2 3.24Å; R115-E190 IonicContact NH2-OE1 3.3Å; R115-E190 PolarHBondContact NH2-OE1 3.1Å
116	G	98.2	Very high	97.6	Very high	6 Å²	6	32.6 Å²	32.6	6%	0.062	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-45.7	172.2	0	0	0	0	0	112.5	T60 K112 C113 Y119 C120	T60-G116 WeakPolarHBondContact O-CA 3.31Å; K112-G116 PolarHBondContact O-N 3.01Å; C113-G116 PolarHBondContact O-N 3.02Å; C113-G116 VanDerWaalsContact O-N 3.15Å; G116-Y119 WeakPolarHBondContact O-CB 3.48Å; G116-Y119 PolarHBondContact O-N 3.38Å; G116-C120 PolarHBondContact O-N 2.97Å; G116-C120 PolarHBondContact O-SG 2.89Å
117	I	98.5	Very high	97.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-46.1	174.9	-64.4	166	0	0	0	110.5	L62 V76 L80 C113 M114 Y119 C120 Y121 F170	L62-I117 HydrophobicContact CD2-CG1 3.62Å; V76-I117 HydrophobicContact CG1-CD1 4.28Å; V76-I117 HydrophobicContact CG1-CG2 3.99Å; V76-I117 HydrophobicContact CG2-CG2 4.41Å; L80-I117 HydrophobicContact CD2-CD1 3.65Å; L80-I117 HydrophobicContact CG-CD1 3.84Å; C113-I117 WeakPolarHBondContact O-CG1 3.46Å; C113-I117 PolarHBondContact O-N 3.39Å; M114-I117 PolarHBondContact O-N 2.99Å; I117-Y119 VanDerWaalsContact C-N 3.31Å; I117-Y119 PolarHBondContact O-N 3.19Å; I117-C120 WeakPolarHBondContact O-CB 3.36Å; I117-C120 PolarHBondContact O-N 2.94Å; I117-Y121 HydrophobicContact CG2-CD2 3.88Å; I117-Y121 HydrophobicContact CG2-CE2 3.67Å; I117-Y121 PolarHBondContact O-N 2.81Å; I117-F170 HydrophobicContact CB-CD2 4.21Å; I117-F170 HydrophobicContact CB-CE2 4.12Å; I117-F170 HydrophobicContact CG2-CD2 3.64Å; I117-F170 HydrophobicContact CG2-CE2 3.86Å; I117-F170 HydrophobicContact CG2-CG 4.22Å
118	L	98.4	Very high	97.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-44.2	176.3	178.8	60.1	0	0	0	111.7	M114 R115 C120 Y121 M122 F170 I185 E190 F193 I194	M114-L118 PolarHBondContact O-N 2.9Å; R115-L118 PolarHBondContact O-N 3.03Å; L118-C120 PolarHBondContact O-N 3.01Å; L118-Y121 PolarHBondContact O-N 2.84Å; L118-M122 HydrophobicContact CD1-CG 3.92Å; L118-M122 HydrophobicContact CD1-SD 4.03Å; L118-M122 HydrophobicContact CD2-SD 4.47Å; L118-M122 HydrophobicContact CG-CG 4.26Å; L118-M122 HydrophobicContact CG-SD 3.94Å; L118-M122 WeakPolarHBondContact O-CB 3.32Å; L118-M122 VanDerWaalsContact O-CG 3.3Å; L118-M122 WeakPolarHBondContact O-CG 3.39Å; L118-M122 PolarHBondContact O-N 3.38Å; L118-F170 HydrophobicContact CB-CZ 4.15Å; L118-F170 HydrophobicContact CD1-CZ 4.42Å; L118-I185 HydrophobicContact CD2-CD1 3.6Å; L118-E190 HydrophobicContact CD2-CB 4.35Å; L118-E190 HydrophobicContact CD2-CG 4.08Å; L118-F193 HydrophobicContact CD1-CD1 3.8Å; L118-F193 HydrophobicContact CD1-CE1 4.16Å; L118-I194 HydrophobicContact CD1-CD1 3.88Å
119	Y	97.4	Very high	97.5	Very high	125 Å²	125	30.1 Å²	30.1	49%	0.49	13%	0.134	S	C	.	.	H	α-helix	trans	-58.8	-46.1	176.1	174.9	-99.8	0	0	0	111.6	R115 G116 I117 Y121 M122 R123	R115-Y119 WeakPolarHBondContact O-CB 3.21Å; R115-Y119 PolarHBondContact O-N 3.24Å; G116-Y119 WeakPolarHBondContact O-CB 3.48Å; G116-Y119 PolarHBondContact O-N 3.38Å; I117-Y119 VanDerWaalsContact C-N 3.31Å; I117-Y119 PolarHBondContact O-N 3.19Å; Y119-Y121 PolarHBondContact O-N 3.43Å; Y119-M122 PolarHBondContact O-N 2.82Å; Y119-R123 WeakPolarHBondContact O-CG 3.34Å; Y119-R123 PolarHBondContact O-N 2.91Å
120	C	97.9	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-45.8	176.8	-63.8	0	0	0	0	111.7	G116 I117 L118 R123 F145 G150	G116-C120 PolarHBondContact O-N 2.97Å; G116-C120 PolarHBondContact O-SG 2.89Å; I117-C120 WeakPolarHBondContact O-CB 3.36Å; I117-C120 PolarHBondContact O-N 2.94Å; L118-C120 PolarHBondContact O-N 3.01Å; C120-R123 PolarHBondContact O-N 2.85Å; C120-F145 HydrophobicContact CB-CD1 3.74Å; C120-F145 HydrophobicContact CB-CD2 3.86Å; C120-F145 HydrophobicContact CB-CE1 3.7Å; C120-F145 HydrophobicContact CB-CE2 3.82Å; C120-F145 HydrophobicContact CB-CG 3.82Å; C120-F145 HydrophobicContact CB-CZ 3.74Å; C120-G150 VanDerWaalsContact SG-CA 3.58Å
121	Y	97.8	Very high	97.1	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-40.3	178.5	-73.5	-25.5	0	0	0	113.3	V76 I117 L118 Y119 R123 Q124 L141 H142 F145 F170 F193 L197	V76-Y121 HydrophobicContact CG2-CE1 4.26Å; I117-Y121 HydrophobicContact CG2-CD2 3.88Å; I117-Y121 HydrophobicContact CG2-CE2 3.67Å; I117-Y121 PolarHBondContact O-N 2.81Å; L118-Y121 PolarHBondContact O-N 2.84Å; Y119-Y121 PolarHBondContact O-N 3.43Å; Y121-R123 PolarHBondContact O-N 3.36Å; Y121-Q124 CarbonylContact O-C 3.51Å; Y121-Q124 WeakPolarHBondContact O-CA 3.49Å; Y121-Q124 WeakPolarHBondContact O-CB 3.41Å; Y121-Q124 PolarHBondContact O-N 3.39Å; Y121-L141 HydrophobicContact CD1-CD2 3.7Å; Y121-L141 HydrophobicContact CE1-CB 4.38Å; Y121-L141 HydrophobicContact CE1-CD2 4.11Å; Y121-L141 HydrophobicContact CG-CD2 4.04Å; Y121-H142 WeakPolarHBondContact CE1-O 3.44Å; Y121-F145 HydrophobicContact CD1-CE2 4.3Å; Y121-F145 HydrophobicContact CD1-CZ 4.05Å; Y121-F145 HydrophobicContact CE1-CE2 4.11Å; Y121-F145 HydrophobicContact CE1-CZ 4.18Å; Y121-F170 HydrophobicContact CD2-CD1 4.35Å; Y121-F170 HydrophobicContact CD2-CE1 4.4Å; Y121-F170 HydrophobicContact CE2-CB 4.49Å; Y121-F170 HydrophobicContact CE2-CD1 4.12Å; Y121-F170 HydrophobicContact CE2-CG 4.25Å; Y121-F193 WeakPolarHBondContact O-CZ 3.41Å; Y121-L197 HydrophobicContact CD2-CD1 4.26Å
122	M	97.3	Very high	96.8	Very high	41 Å²	41	33.8 Å²	33.8	20%	0.202	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-28.5	179.3	-76.8	-176.4	74.9	0	0	112.8	L118 Y119 Q124 A125 E190 F193 L539	L118-M122 HydrophobicContact CD1-CG 3.92Å; L118-M122 HydrophobicContact CD1-SD 4.03Å; L118-M122 HydrophobicContact CD2-SD 4.47Å; L118-M122 HydrophobicContact CG-CG 4.26Å; L118-M122 HydrophobicContact CG-SD 3.94Å; L118-M122 WeakPolarHBondContact O-CB 3.32Å; L118-M122 VanDerWaalsContact O-CG 3.3Å; L118-M122 WeakPolarHBondContact O-CG 3.39Å; L118-M122 PolarHBondContact O-N 3.38Å; Y119-M122 PolarHBondContact O-N 2.82Å; M122-Q124 PolarHBondContact O-N 2.98Å; M122-A125 PolarHBondContact O-N 2.89Å; M122-E190 HydrophobicContact CE-CG 4.1Å; M122-E190 HydrophobicContact SD-CG 3.77Å; M122-F193 HydrophobicContact CG-CB 4.26Å; M122-F193 HydrophobicContact CG-CD1 3.57Å; M122-F193 HydrophobicContact CG-CD2 3.95Å; M122-F193 HydrophobicContact CG-CE1 3.86Å; M122-F193 HydrophobicContact CG-CE2 4.24Å; M122-F193 HydrophobicContact CG-CG 3.64Å; M122-F193 HydrophobicContact CG-CZ 4.22Å; M122-L539 HydrophobicContact CE-CD1 3.92Å; M122-L539 HydrophobicContact CE-CD2 4.16Å
123	R	96.1	Very high	96.2	Very high	118 Å²	118	34.7 Å²	34.7	45%	0.445	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.5	172	-70	178.2	64.5	-170	0.2	113.7	Y119 C120 Y121 G150 D151	Y119-R123 WeakPolarHBondContact O-CG 3.34Å; Y119-R123 PolarHBondContact O-N 2.91Å; C120-R123 PolarHBondContact O-N 2.85Å; Y121-R123 PolarHBondContact O-N 3.36Å; R123-G150 PolarHBondContact NH1-O 3.25Å; R123-D151 IonicContact CZ-OD1 3.32Å; R123-D151 IonicContact NH1-OD1 3.85Å; R123-D151 PolarHBondContact NH1-OD1 3.42Å; R123-D151 IonicContact NH2-OD1 2.9Å; R123-D151 PolarHBondContact NH2-OD1 3.26Å
124	Q	96.2	Very high	95.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	28.4	177.5	-57.8	-171.5	-17.8	0	0	112	Y121 M122 D126 K127 V128 H142 E152	Y121-Q124 CarbonylContact O-C 3.51Å; Y121-Q124 WeakPolarHBondContact O-CA 3.49Å; Y121-Q124 WeakPolarHBondContact O-CB 3.41Å; Y121-Q124 PolarHBondContact O-N 3.39Å; M122-Q124 PolarHBondContact O-N 2.98Å; Q124-D126 VanDerWaalsContact C-OD1 3.24Å; Q124-D126 WeakPolarHBondContact CA-OD1 3.29Å; Q124-D126 PolarHBondContact O-N 3.45Å; Q124-K127 HydrophobicContact CB-CB 4.29Å; Q124-K127 HydrophobicContact CB-CD 4.26Å; Q124-K127 HydrophobicContact CB-CG 4.49Å; Q124-K127 HydrophobicContact CG-CD 4.38Å; Q124-K127 WeakPolarHBondContact O-CB 3.44Å; Q124-K127 PolarHBondContact O-N 3.5Å; Q124-K127 VanDerWaalsContact O-N 3.07Å; Q124-V128 PolarHBondContact O-N 3.24Å; Q124-H142 VanDerWaalsContact NE2-CB 3.31Å; Q124-H142 VanDerWaalsContact NE2-CG 3.33Å; Q124-E152 PolarHBondContact NE2-OE1 2.97Å
125	A	97.2	Very high	95.1	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-32	-178.8	0	0	0	0	0	113.3	M122 V128 E129 F193 L539 L541	M122-A125 PolarHBondContact O-N 2.89Å; A125-V128 WeakPolarHBondContact O-CB 3.31Å; A125-V128 PolarHBondContact O-N 3.5Å; A125-E129 PolarHBondContact O-N 3.34Å; A125-F193 HydrophobicContact CB-CD2 4.43Å; A125-F193 HydrophobicContact CB-CE2 4.17Å; A125-L539 HydrophobicContact CB-CB 4.16Å; A125-L539 WeakPolarHBondContact CB-O 3.42Å; A125-L541 HydrophobicContact CB-CD2 4.34Å; A125-L541 WeakPolarHBondContact O-CD2 3.46Å
126	D	96.3	Very high	94.7	Very high	92 Å²	92	37.1 Å²	37.1	49%	0.492	18%	0.181	S	C	.	.	H	α-helix	trans	-59.7	-47.8	170.1	60.8	-35.5	0	0	0	111.8	Q124 V128 E129 E130	Q124-D126 VanDerWaalsContact C-OD1 3.24Å; Q124-D126 WeakPolarHBondContact CA-OD1 3.29Å; Q124-D126 PolarHBondContact O-N 3.45Å; D126-V128 VanDerWaalsContact C-N 3.31Å; D126-V128 PolarHBondContact O-N 3.11Å; D126-E129 WeakPolarHBondContact O-CB 3.41Å; D126-E129 PolarHBondContact O-N 3.09Å; D126-E129 VanDerWaalsContact O-N 3.13Å; D126-E130 WeakPolarHBondContact O-CG 3.32Å; D126-E130 PolarHBondContact O-N 3.08Å
127	K	95.9	Very high	94.3	Very high	33 Å²	33	38.9 Å²	38.9	14%	0.143	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-37.9	175.6	-63.1	-178.3	179.6	168.5	0	111.8	Q124 E129 E130 F131 H142 E152	Q124-K127 HydrophobicContact CB-CB 4.29Å; Q124-K127 HydrophobicContact CB-CD 4.26Å; Q124-K127 HydrophobicContact CB-CG 4.49Å; Q124-K127 HydrophobicContact CG-CD 4.38Å; Q124-K127 WeakPolarHBondContact O-CB 3.44Å; Q124-K127 PolarHBondContact O-N 3.5Å; Q124-K127 VanDerWaalsContact O-N 3.07Å; K127-E129 VanDerWaalsContact C-N 3.33Å; K127-E129 PolarHBondContact O-N 3.42Å; K127-E130 PolarHBondContact O-N 2.79Å; K127-F131 VanDerWaalsContact O-CB 3.22Å; K127-F131 WeakPolarHBondContact O-CB 3.46Å; K127-F131 PolarHBondContact O-N 3.28Å; K127-H142 PolarHBondContact NZ-CD2 2.85Å; K127-H142 PolarHBondContact NZ-CE1 3.11Å; K127-H142 VanDerWaalsContact NZ-CE1 3.25Å; K127-H142 PolarHBondContact NZ-NE2 3.19Å; K127-E152 IonicContact NZ-OE1 3.68Å; K127-E152 PolarHBondContact NZ-OE1 2.91Å; K127-E152 IonicContact NZ-OE2 2.77Å; K127-E152 PolarHBondContact NZ-OE2 3.23Å
128	V	96.4	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-45.3	173.3	174.6	0	0	0	0	110.8	Q124 A125 D126 F131 K132 L141 F193 N196 L197 L541	Q124-V128 PolarHBondContact O-N 3.24Å; A125-V128 WeakPolarHBondContact O-CB 3.31Å; A125-V128 PolarHBondContact O-N 3.5Å; D126-V128 VanDerWaalsContact C-N 3.31Å; D126-V128 PolarHBondContact O-N 3.11Å; V128-F131 PolarHBondContact O-N 3.32Å; V128-K132 WeakPolarHBondContact O-CG 3.43Å; V128-K132 PolarHBondContact O-N 2.81Å; V128-K132 VanDerWaalsContact O-N 3.13Å; V128-L141 HydrophobicContact CG2-CD1 4.08Å; V128-L141 HydrophobicContact CG2-CD2 3.75Å; V128-L141 HydrophobicContact CG2-CG 4.06Å; V128-F193 HydrophobicContact CG2-CE2 3.9Å; V128-F193 HydrophobicContact CG2-CZ 3.99Å; V128-N196 HydrophobicContact CG1-CB 3.85Å; V128-L197 HydrophobicContact CG2-CD2 3.84Å; V128-L541 HydrophobicContact CB-CD2 4.35Å; V128-L541 HydrophobicContact CG1-CD2 4.17Å
129	E	95.9	Very high	93.7	Very high	33 Å²	33	44.5 Å²	44.5	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-44.3	177.5	-173.5	58.1	-138.3	0	0	112.1	A125 D126 K127 K132 N133 L541 S542	A125-E129 PolarHBondContact O-N 3.34Å; D126-E129 WeakPolarHBondContact O-CB 3.41Å; D126-E129 PolarHBondContact O-N 3.09Å; D126-E129 VanDerWaalsContact O-N 3.13Å; K127-E129 VanDerWaalsContact C-N 3.33Å; K127-E129 PolarHBondContact O-N 3.42Å; E129-K132 IonicContact OE1-NZ 3.16Å; E129-K132 WeakPolarHBondContact OE2-CE 3.5Å; E129-K132 IonicContact OE2-NZ 3.36Å; E129-K132 PolarHBondContact OE2-NZ 3.14Å; E129-N133 PolarHBondContact O-ND2 2.87Å; E129-L541 HydrophobicContact CB-CD2 4.36Å; E129-L541 WeakPolarHBondContact OE2-CA 3.46Å; E129-S542 VanDerWaalsContact CD-OG 3.24Å; E129-S542 WeakPolarHBondContact OE1-CB 3.27Å; E129-S542 PolarHBondContact OE1-OG 3.49Å; E129-S542 PolarHBondContact OE2-N 3.04Å; E129-S542 PolarHBondContact OE2-OG 3.48Å
130	E	94.4	Very high	93.5	Very high	94 Å²	94	38.7 Å²	38.7	44%	0.439	20%	0.201	S	C	.	.	H	α-helix	trans	-65.6	-45.6	177.5	-70.2	-173.5	-169.2	0	0	112.3	D126 K127 K132 N133 D134 K139	D126-E130 WeakPolarHBondContact O-CG 3.32Å; D126-E130 PolarHBondContact O-N 3.08Å; K127-E130 PolarHBondContact O-N 2.79Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.37Å; E130-N133 PolarHBondContact O-N 3.26Å; E130-N133 VanDerWaalsContact O-N 3.1Å; E130-D134 PolarHBondContact O-N 3.45Å; E130-K139 HydrophobicContact CB-CB 4.16Å; E130-K139 HydrophobicContact CB-CD 4.15Å; E130-K139 HydrophobicContact CB-CG 4.23Å
131	F	93.4	Very high	93.3	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-35.5	-177.8	-167	-95.6	0	0	0	113.2	K127 V128 N133 D134 P135 K139 C140 L162 I164 C200 R203 V207	K127-F131 VanDerWaalsContact O-CB 3.22Å; K127-F131 WeakPolarHBondContact O-CB 3.46Å; K127-F131 PolarHBondContact O-N 3.28Å; V128-F131 PolarHBondContact O-N 3.32Å; F131-N133 PolarHBondContact O-N 3.45Å; F131-D134 WeakPolarHBondContact CA-O 3.46Å; F131-D134 CarbonylContact O-C 3.49Å; F131-D134 PolarHBondContact O-N 3.5Å; F131-P135 HydrophobicContact CD1-CB 4.32Å; F131-P135 HydrophobicContact CD2-CB 4.29Å; F131-P135 HydrophobicContact CE1-CB 3.84Å; F131-P135 VanDerWaalsContact CE2-CA 3.4Å; F131-P135 HydrophobicContact CE2-CB 3.8Å; F131-P135 HydrophobicContact CZ-CB 3.55Å; F131-K139 WeakPolarHBondContact CB-O 3.41Å; F131-C140 HydrophobicContact CD2-CB 4.07Å; F131-C140 HydrophobicContact CE2-CB 3.95Å; F131-L162 HydrophobicContact CE2-CD1 3.58Å; F131-L162 HydrophobicContact CZ-CD1 3.65Å; F131-I164 HydrophobicContact CE1-CD1 4.23Å; F131-I164 HydrophobicContact CZ-CD1 4Å; F131-C200 HydrophobicContact CD1-CB 3.69Å; F131-C200 HydrophobicContact CE1-CB 4Å; F131-R203 PolarHBondContact O-NH2 2.91Å; F131-V207 HydrophobicContact CZ-CG1 4.12Å
132	K	91.1	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.4	-31.2	174.6	-84.1	-172	-52.7	173.7	0	112.6	V128 E129 E130 N196 F199 R203 G543 P545 R547	V128-K132 WeakPolarHBondContact O-CG 3.43Å; V128-K132 PolarHBondContact O-N 2.81Å; V128-K132 VanDerWaalsContact O-N 3.13Å; E129-K132 IonicContact OE1-NZ 3.16Å; E129-K132 WeakPolarHBondContact OE2-CE 3.5Å; E129-K132 IonicContact OE2-NZ 3.36Å; E129-K132 PolarHBondContact OE2-NZ 3.14Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.37Å; K132-N196 WeakPolarHBondContact CE-OD1 3.29Å; K132-N196 PolarHBondContact NZ-OD1 2.89Å; K132-F199 HydrophobicContact CD-CB 4.02Å; K132-F199 HydrophobicContact CD-CD2 4.05Å; K132-F199 HydrophobicContact CG-CB 4.15Å; K132-R203 PolarHBondContact O-NH2 3.48Å; K132-G543 PolarHBondContact NZ-O 2.88Å; K132-P545 HydrophobicContact CB-CG 3.78Å; K132-P545 HydrophobicContact CD-CG 4Å; K132-P545 HydrophobicContact CG-CG 4.17Å; K132-R547 PolarHBondContact O-NH2 3.4Å; K132-R547 VanDerWaalsContact O-NH2 3.13Å
133	N	85.9	Confident	93.1	Very high	101 Å²	101	37.7 Å²	37.7	54%	0.54	20%	0.196	S	C	.	.	H	α-helix	trans	-91.6	-49.6	179.7	-66	-56.1	0	0	0	110.8	E129 E130 F131	E129-N133 PolarHBondContact O-ND2 2.87Å; E130-N133 PolarHBondContact O-N 3.26Å; E130-N133 VanDerWaalsContact O-N 3.1Å; F131-N133 PolarHBondContact O-N 3.45Å
134	D	86.9	Confident	93.1	Very high	58 Å²	58	32.1 Å²	32.1	31%	0.31	18%	0.175	S	C	.	.			trans	-129.7	101.1	-178.7	177.3	24.9	0	0	0	111.2	E130 F131 S136 K139	E130-D134 PolarHBondContact O-N 3.45Å; F131-D134 WeakPolarHBondContact CA-O 3.46Å; F131-D134 CarbonylContact O-C 3.49Å; F131-D134 PolarHBondContact O-N 3.5Å; D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 PolarHBondContact OD2-OG 3.37Å; D134-K139 HydrophobicContact CB-CD 3.86Å; D134-K139 WeakPolarHBondContact OD2-CD 3.33Å; D134-K139 WeakPolarHBondContact OD2-CE 3.23Å; D134-K139 IonicContact OD2-NZ 3.84Å; D134-K139 PolarHBondContact OD2-NZ 3.23Å
135	P	88	Confident	93.1	Very high	36 Å²	36	32.2 Å²	32.2	23%	0.234	18%	0.176	C	C	.	.			trans	-82.2	60.9	-174.8	35.4	-34.8	0	0	0	111.6	F131 V207	F131-P135 HydrophobicContact CD1-CB 4.32Å; F131-P135 HydrophobicContact CD2-CB 4.29Å; F131-P135 HydrophobicContact CE1-CB 3.84Å; F131-P135 VanDerWaalsContact CE2-CA 3.4Å; F131-P135 HydrophobicContact CE2-CB 3.8Å; F131-P135 HydrophobicContact CZ-CB 3.55Å; P135-V207 HydrophobicContact CB-CG1 4.14Å; P135-V207 HydrophobicContact CB-CG2 3.79Å; P135-V207 HydrophobicContact CG-CG2 3.91Å
136	S	88.5	Confident	93.1	Very high	24 Å²	24	33.8 Å²	33.8	17%	0.168	18%	0.183	C	C	.	.			trans	-101.3	157.6	-179.2	58.9	0	0	0	0	112.3	D134 S138 K139 C140	D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 PolarHBondContact OD2-OG 3.37Å; S136-S138 PolarHBondContact O-N 3.03Å; S136-S138 PolarHBondContact OG-OG 3.39Å; S136-K139 PolarHBondContact O-N 2.91Å; S136-K139 VanDerWaalsContact O-N 3.09Å; S136-C140 PolarHBondContact O-N 3.46Å
137	P	90.7	Very high	93	Very high	44 Å²	44	29.6 Å²	29.6	29%	0.286	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-57	-31.4	179	-28.4	35.8	0	0	0	114.8	K139 C140 L162 Y210 T224	P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 3.22Å; P137-C140 PolarHBondContact O-SG 3.5Å; P137-L162 HydrophobicContact CB-CD2 4.49Å; P137-L162 HydrophobicContact CG-CD2 3.98Å; P137-Y210 HydrophobicContact CB-CE2 4.22Å; P137-Y210 HydrophobicContact CG-CE2 4.44Å; P137-T224 HydrophobicContact CG-CG2 4.2Å
138	S	90.9	Very high	92.9	Very high	60 Å²	60	30.8 Å²	30.8	42%	0.42	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-72.7	-19.7	179.4	52.2	0	0	0	0	113.8	S136	S136-S138 PolarHBondContact O-N 3.03Å; S136-S138 PolarHBondContact OG-OG 3.39Å
139	K	92.7	Very high	92.8	Very high	60 Å²	60	33.7 Å²	33.7	26%	0.261	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-110.1	5.2	-176.4	-62.9	175.2	175.9	170	0	112.8	E130 F131 D134 S136 P137	E130-K139 HydrophobicContact CB-CB 4.16Å; E130-K139 HydrophobicContact CB-CD 4.15Å; E130-K139 HydrophobicContact CB-CG 4.23Å; F131-K139 WeakPolarHBondContact CB-O 3.41Å; D134-K139 HydrophobicContact CB-CD 3.86Å; D134-K139 WeakPolarHBondContact OD2-CD 3.33Å; D134-K139 WeakPolarHBondContact OD2-CE 3.23Å; D134-K139 IonicContact OD2-NZ 3.84Å; D134-K139 PolarHBondContact OD2-NZ 3.23Å; S136-K139 PolarHBondContact O-N 2.91Å; S136-K139 VanDerWaalsContact O-N 3.09Å; P137-K139 VanDerWaalsContact C-N 3.27Å; P137-K139 PolarHBondContact O-N 3.22Å
140	C	93.4	Very high	92.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.02	18%	0.18	C	C	.	.	S	Bend	trans	-76.5	159.7	-175.8	73.8	0	0	0	0	112.6	F131 S136 P137 H161 L162	F131-C140 HydrophobicContact CD2-CB 4.07Å; F131-C140 HydrophobicContact CE2-CB 3.95Å; S136-C140 PolarHBondContact O-N 3.46Å; P137-C140 PolarHBondContact O-SG 3.5Å; C140-H161 VanDerWaalsContact SG-CB 3.53Å; C140-L162 HydrophobicContact CB-CB 3.88Å; C140-L162 HydrophobicContact CB-CD1 3.72Å; C140-L162 HydrophobicContact CB-CG 4.31Å; C140-L162 PolarHBondContact SG-N 2.99Å
141	L	94.9	Very high	92.8	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.068	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-67.7	145.6	168.8	-68	93.8	0	0	0	110.1	Y121 V128 L197	Y121-L141 HydrophobicContact CD1-CD2 3.7Å; Y121-L141 HydrophobicContact CE1-CB 4.38Å; Y121-L141 HydrophobicContact CE1-CD2 4.11Å; Y121-L141 HydrophobicContact CG-CD2 4.04Å; V128-L141 HydrophobicContact CG2-CD1 4.08Å; V128-L141 HydrophobicContact CG2-CD2 3.75Å; V128-L141 HydrophobicContact CG2-CG 4.06Å; L141-L197 HydrophobicContact CD1-CD2 4.42Å; L141-L197 HydrophobicContact CD2-CD2 3.67Å
142	H	95.7	Very high	92.8	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.032	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-75.6	144.4	173.6	-63.3	-166.6	0	0	0	110.7	Y121 Q124 K127 F145 E152 Y154 H161	Y121-H142 WeakPolarHBondContact CE1-O 3.44Å; Q124-H142 VanDerWaalsContact NE2-CB 3.31Å; Q124-H142 VanDerWaalsContact NE2-CG 3.33Å; K127-H142 PolarHBondContact NZ-CD2 2.85Å; K127-H142 PolarHBondContact NZ-CE1 3.11Å; K127-H142 VanDerWaalsContact NZ-CE1 3.25Å; K127-H142 PolarHBondContact NZ-NE2 3.19Å; H142-F145 HydrophobicContact CB-CE1 4.12Å; H142-F145 HydrophobicContact CB-CZ 4.04Å; H142-F145 VanDerWaalsContact O-CE2 3.28Å; H142-F145 WeakPolarHBondContact O-CE2 3.28Å; H142-F145 WeakPolarHBondContact O-CZ 3.48Å; H142-E152 VanDerWaalsContact CE1-CD 3.47Å; H142-E152 IonicContact CE1-OE2 3.75Å; H142-E152 PolarHBondContact CE1-OE2 3.39Å; H142-E152 IonicContact ND1-OE1 3.96Å; H142-E152 IonicContact ND1-OE2 3.63Å; H142-E152 PolarHBondContact ND1-OE2 3.32Å; H142-E152 IonicContact NE2-OE2 3.06Å; H142-Y154 PolarHBondContact CE1-O 2.79Å; H142-Y154 PolarHBondContact ND1-O 3.47Å; H142-H161 AromaticContact CD2-CD2 3.48Å; H142-H161 PolarHBondContact CD2-CD2 3.15Å; H142-H161 VanDerWaalsContact CD2-CD2 3.48Å; H142-H161 AromaticContact CD2-CG 3.82Å; H142-H161 AromaticContact CD2-NE2 3.95Å; H142-H161 AromaticContact CE1-CD2 3.93Å; H142-H161 AromaticContact CE1-NE2 3.83Å; H142-H161 AromaticContact CG-CD2 3.62Å; H142-H161 AromaticContact CG-CE1 3.86Å; H142-H161 AromaticContact CG-CG 3.88Å; H142-H161 AromaticContact CG-NE2 3.63Å; H142-H161 AromaticContact ND1-CD2 3.89Å; H142-H161 AromaticContact ND1-NE2 3.55Å; H142-H161 AromaticContact NE2-CD2 3.71Å
143	S	95	Very high	92.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-104.9	-1.5	177.2	59.7	0	0	0	0	114	V76 H161 Q163	V76-S143 PolarHBondContact N-O 3.46Å; S143-H161 PolarHBondContact N-ND1 3.4Å; S143-H161 PolarHBondContact OG-ND1 3.38Å; S143-Q163 PolarHBondContact OG-OE1 3.28Å
144	V	96.1	Very high	93.1	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132	-179.3	-173.7	0	0	0	0	110	E73 A74 K75 Y154 Y159	E73-V144 HydrophobicContact CB-CG1 4.22Å; E73-V144 HydrophobicContact CG-CG1 4.22Å; A74-V144 WeakPolarHBondContact O-CA 3.26Å; K75-V144 HydrophobicContact CG-CG2 3.95Å; V144-Y154 HydrophobicContact CG1-CD2 4.28Å; V144-Y154 HydrophobicContact CG1-CE2 4.34Å; V144-Y159 HydrophobicContact CG2-CD1 4.14Å; V144-Y159 HydrophobicContact CG2-CE1 3.46Å; V144-Y159 VanDerWaalsContact CG2-CE1 3.46Å; V144-Y159 HydrophobicContact CG2-CE2 4.08Å; V144-Y159 WeakPolarHBondContact CG2-OH 3.4Å
145	F	96.7	Very high	93.2	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.3	-176.9	-60.9	-78.4	0	0	0	111.5	L62 A74 V76 C120 Y121 H142 V147 D151	L62-F145 HydrophobicContact CD1-CB 4.26Å; A74-F145 PolarHBondContact N-O 2.99Å; A74-F145 PolarHBondContact O-N 3.47Å; V76-F145 HydrophobicContact CG2-CD2 4.05Å; V76-F145 HydrophobicContact CG2-CE2 3.74Å; C120-F145 HydrophobicContact CB-CD1 3.74Å; C120-F145 HydrophobicContact CB-CD2 3.86Å; C120-F145 HydrophobicContact CB-CE1 3.7Å; C120-F145 HydrophobicContact CB-CE2 3.82Å; C120-F145 HydrophobicContact CB-CG 3.82Å; C120-F145 HydrophobicContact CB-CZ 3.74Å; Y121-F145 HydrophobicContact CD1-CE2 4.3Å; Y121-F145 HydrophobicContact CD1-CZ 4.05Å; Y121-F145 HydrophobicContact CE1-CE2 4.11Å; Y121-F145 HydrophobicContact CE1-CZ 4.18Å; H142-F145 HydrophobicContact CB-CE1 4.12Å; H142-F145 HydrophobicContact CB-CZ 4.04Å; H142-F145 VanDerWaalsContact O-CE2 3.28Å; H142-F145 WeakPolarHBondContact O-CE2 3.28Å; H142-F145 WeakPolarHBondContact O-CZ 3.48Å; F145-V147 PolarHBondContact O-N 2.84Å; F145-D151 CarbonylContact C-O 3.51Å; F145-D151 WeakPolarHBondContact CA-O 3.3Å
146	N	96.2	Very high	93	Very high	41 Å²	41	41.9 Å²	41.9	22%	0.219	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	131	170.6	-175.1	-72.6	0	0	0	109.4	K72 D148 T149 G150 D151 V153	K72-N146 CarbonylContact O-C 3.54Å; K72-N146 VanDerWaalsContact O-CA 3.27Å; K72-N146 WeakPolarHBondContact O-CA 3.47Å; N146-D148 VanDerWaalsContact C-N 3.27Å; N146-D148 PolarHBondContact O-N 3.37Å; N146-D148 PolarHBondContact OD1-N 3.5Å; N146-T149 VanDerWaalsContact CB-OG1 3.28Å; N146-T149 WeakPolarHBondContact CB-OG1 3.24Å; N146-T149 PolarHBondContact OD1-N 3.4Å; N146-T149 PolarHBondContact OD1-OG1 3.12Å; N146-G150 VanDerWaalsContact O-CA 3.27Å; N146-G150 WeakPolarHBondContact O-CA 3.37Å; N146-G150 PolarHBondContact O-N 3.22Å; N146-D151 HydrophobicContact CB-CB 4.39Å; N146-D151 PolarHBondContact N-O 3.13Å; N146-V153 HydrophobicContact CB-CG2 4.12Å; N146-V153 VanDerWaalsContact N-CG2 3.27Å
147	V	94.6	Very high	92.8	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-38	-176.6	175.3	0	0	0	0	111.9	S57 T60 P64 K72 E73 A74 F145	S57-V147 VanDerWaalsContact CB-O 3.29Å; S57-V147 WeakPolarHBondContact CB-O 3.45Å; S57-V147 PolarHBondContact OG-O 3.04Å; T60-V147 WeakPolarHBondContact CG2-O 3.36Å; T60-V147 PolarHBondContact OG1-O 3.39Å; P64-V147 HydrophobicContact CB-CG2 3.87Å; K72-V147 VanDerWaalsContact C-CG2 3.46Å; K72-V147 HydrophobicContact CB-CB 4.16Å; K72-V147 HydrophobicContact CB-CG2 4.32Å; K72-V147 PolarHBondContact O-N 3.07Å; E73-V147 WeakPolarHBondContact O-CG2 3.36Å; A74-V147 HydrophobicContact CB-CG2 3.82Å; F145-V147 PolarHBondContact O-N 2.84Å
148	D	93.3	Very high	92.7	Very high	57 Å²	57	45.3 Å²	45.3	31%	0.305	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-29.3	-169.4	-62.4	-42.6	0	0	0	112.9	S57 T59 T60 K72 N146	S57-D148 PolarHBondContact OG-OD1 3.3Å; T59-D148 WeakPolarHBondContact CB-O 3.24Å; T59-D148 PolarHBondContact OG1-O 2.92Å; T60-D148 WeakPolarHBondContact CG2-O 3.44Å; K72-D148 WeakPolarHBondContact CD-OD2 3.39Å; K72-D148 IonicContact NZ-OD2 3.33Å; N146-D148 VanDerWaalsContact C-N 3.27Å; N146-D148 PolarHBondContact O-N 3.37Å; N146-D148 PolarHBondContact OD1-N 3.5Å
149	T	94.5	Very high	92.7	Very high	61 Å²	61	43.9 Å²	43.9	37%	0.374	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-23.2	-179	67.7	0	0	0	0	114	N146 D151	N146-T149 VanDerWaalsContact CB-OG1 3.28Å; N146-T149 WeakPolarHBondContact CB-OG1 3.24Å; N146-T149 PolarHBondContact OD1-N 3.4Å; N146-T149 PolarHBondContact OD1-OG1 3.12Å; T149-D151 WeakPolarHBondContact CB-OD2 3.26Å; T149-D151 PolarHBondContact O-N 3.15Å; T149-D151 WeakPolarHBondContact OG1-CB 3.44Å; T149-D151 PolarHBondContact OG1-N 2.88Å; T149-D151 PolarHBondContact OG1-OD2 3.24Å
150	G	94.4	Very high	92.7	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.021	22%	0.219	C	C	.	.			trans	71.9	13.6	-170.7	0	0	0	0	0	113.9	C120 R123 N146	C120-G150 VanDerWaalsContact SG-CA 3.58Å; R123-G150 PolarHBondContact NH1-O 3.25Å; N146-G150 VanDerWaalsContact O-CA 3.27Å; N146-G150 WeakPolarHBondContact O-CA 3.37Å; N146-G150 PolarHBondContact O-N 3.22Å
151	D	95.1	Very high	92.8	Very high	62 Å²	62	41.3 Å²	41.3	33%	0.332	22%	0.218	S	C	.	.			trans	-72.7	158.6	175.9	-64	-40.8	0	0	0	112.4	R123 F145 N146 T149 V153	R123-D151 IonicContact CZ-OD1 3.32Å; R123-D151 IonicContact NH1-OD1 3.85Å; R123-D151 PolarHBondContact NH1-OD1 3.42Å; R123-D151 IonicContact NH2-OD1 2.9Å; R123-D151 PolarHBondContact NH2-OD1 3.26Å; F145-D151 CarbonylContact C-O 3.51Å; F145-D151 WeakPolarHBondContact CA-O 3.3Å; N146-D151 HydrophobicContact CB-CB 4.39Å; N146-D151 PolarHBondContact N-O 3.13Å; T149-D151 WeakPolarHBondContact CB-OD2 3.26Å; T149-D151 PolarHBondContact O-N 3.15Å; T149-D151 WeakPolarHBondContact OG1-CB 3.44Å; T149-D151 PolarHBondContact OG1-N 2.88Å; T149-D151 PolarHBondContact OG1-OD2 3.24Å; D151-V153 PolarHBondContact O-N 3.29Å
152	E	93.9	Very high	92.8	Very high	90 Å²	90	40.9 Å²	40.9	42%	0.421	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-65.2	128.5	170.9	-57.5	-174.2	173	0	0	110.4	Q124 K127 H142	Q124-E152 PolarHBondContact NE2-OE1 2.97Å; K127-E152 IonicContact NZ-OE1 3.68Å; K127-E152 PolarHBondContact NZ-OE1 2.91Å; K127-E152 IonicContact NZ-OE2 2.77Å; K127-E152 PolarHBondContact NZ-OE2 3.23Å; H142-E152 VanDerWaalsContact CE1-CD 3.47Å; H142-E152 IonicContact CE1-OE2 3.75Å; H142-E152 PolarHBondContact CE1-OE2 3.39Å; H142-E152 IonicContact ND1-OE1 3.96Å; H142-E152 IonicContact ND1-OE2 3.63Å; H142-E152 PolarHBondContact ND1-OE2 3.32Å; H142-E152 IonicContact NE2-OE2 3.06Å
153	V	92.3	Very high	92.8	Very high	54 Å²	54	41 Å²	41	33%	0.327	22%	0.217	S	C	.	.			trans	-93.7	-36.7	-179.7	-176.1	0	0	0	0	111.7	E73 N146 D151	E73-V153 HydrophobicContact CG-CG1 4.05Å; E73-V153 HydrophobicContact CG-CG2 4.46Å; N146-V153 HydrophobicContact CB-CG2 4.12Å; N146-V153 VanDerWaalsContact N-CG2 3.27Å; D151-V153 PolarHBondContact O-N 3.29Å
154	Y	91.6	Very high	92.9	Very high	72 Å²	72	41.3 Å²	41.3	28%	0.282	22%	0.218	S	C	.	.	S	Bend	trans	-124.2	150.8	-174.1	-65.3	-68.1	0	0	0	110.6	E73 H142 V144 D158 Y159 H161	E73-Y154 HydrophobicContact CG-CE2 4.33Å; E73-Y154 WeakPolarHBondContact OE1-CE2 3.31Å; E73-Y154 VanDerWaalsContact OE1-CZ 3.22Å; E73-Y154 PolarHBondContact OE1-OH 2.92Å; H142-Y154 PolarHBondContact CE1-O 2.79Å; H142-Y154 PolarHBondContact ND1-O 3.47Å; V144-Y154 HydrophobicContact CG1-CD2 4.28Å; V144-Y154 HydrophobicContact CG1-CE2 4.34Å; Y154-D158 HydrophobicContact CD1-CB 4.11Å; Y154-Y159 AromaticContact CD2-CD2 3.97Å; Y154-Y159 HydrophobicContact CD2-CD2 3.97Å; Y154-Y159 HydrophobicContact CD2-CG 4.19Å; Y154-Y159 HydrophobicContact CE2-CD2 4.29Å; Y154-Y159 HydrophobicContact CG-CD2 4.41Å; Y154-Y159 HydrophobicContact CG-CG 4.4Å; Y154-H161 PolarHBondContact O-NE2 3.19Å
155	T	89.3	Confident	92.9	Very high	77 Å²	77	41.3 Å²	41.3	47%	0.472	22%	0.218	S	C	.	.			trans	-82.7	165.6	166	75.5	0	0	0	0	110.3	G157 D158 Y159	T155-G157 PolarHBondContact O-N 3.17Å; T155-G157 PolarHBondContact OG1-N 2.71Å; T155-D158 PolarHBondContact O-N 3.3Å; T155-D158 VanDerWaalsContact O-N 3.08Å; T155-D158 VanDerWaalsContact OG1-CG 3.31Å; T155-D158 PolarHBondContact OG1-OD2 3.45Å; T155-Y159 PolarHBondContact O-N 2.67Å; T155-Y159 VanDerWaalsContact O-N 3.09Å
156	Y	82.9	Confident	93	Very high	142 Å²	142	41.2 Å²	41.2	56%	0.557	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.8	176.7	82.6	-92.4	0	0	0	113.4
157	G	85.4	Confident	93	Very high	41 Å²	41	39.8 Å²	39.8	42%	0.423	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-35.6	177	0	0	0	0	0	112	T155 R340	T155-G157 PolarHBondContact O-N 3.17Å; T155-G157 PolarHBondContact OG1-N 2.71Å; G157-R340 PolarHBondContact O-NH1 3.49Å
158	D	87.6	Confident	93.2	Very high	98 Å²	98	39.6 Å²	39.6	52%	0.524	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-23.1	-176	-56.1	-45.2	0	0	0	112.6	Y154 T155 R340	Y154-D158 HydrophobicContact CD1-CB 4.11Å; T155-D158 PolarHBondContact O-N 3.3Å; T155-D158 VanDerWaalsContact O-N 3.08Å; T155-D158 VanDerWaalsContact OG1-CG 3.31Å; T155-D158 PolarHBondContact OG1-OD2 3.45Å; D158-R340 VanDerWaalsContact C-NH1 3.25Å; D158-R340 VanDerWaalsContact O-CZ 3.31Å; D158-R340 PolarHBondContact O-NH1 3.38Å; D158-R340 PolarHBondContact O-NH2 2.86Å
159	Y	90.7	Very high	93.5	Very high	31 Å²	31	37 Å²	37	12%	0.122	20%	0.195	C	C	.	.	S	Bend	trans	-144.1	143.8	-175.6	-163.5	-87.5	0	0	0	114.2	K75 V144 Y154 T155 H161 E214 R340	K75-Y159 WeakPolarHBondContact CE-OH 3.44Å; K75-Y159 PolarHBondContact NZ-OH 3.31Å; V144-Y159 HydrophobicContact CG2-CD1 4.14Å; V144-Y159 HydrophobicContact CG2-CE1 3.46Å; V144-Y159 VanDerWaalsContact CG2-CE1 3.46Å; V144-Y159 HydrophobicContact CG2-CE2 4.08Å; V144-Y159 WeakPolarHBondContact CG2-OH 3.4Å; Y154-Y159 AromaticContact CD2-CD2 3.97Å; Y154-Y159 HydrophobicContact CD2-CD2 3.97Å; Y154-Y159 HydrophobicContact CD2-CG 4.19Å; Y154-Y159 HydrophobicContact CE2-CD2 4.29Å; Y154-Y159 HydrophobicContact CG-CD2 4.41Å; Y154-Y159 HydrophobicContact CG-CG 4.4Å; T155-Y159 PolarHBondContact O-N 2.67Å; T155-Y159 VanDerWaalsContact O-N 3.09Å; Y159-H161 VanDerWaalsContact C-N 3.31Å; Y159-H161 AromaticContact CD1-CE1 3.43Å; Y159-H161 VanDerWaalsContact CD1-CE1 3.43Å; Y159-H161 WeakPolarHBondContact CD1-CE1 3.17Å; Y159-H161 AromaticContact CD1-CG 3.86Å; Y159-H161 AromaticContact CD1-ND1 3.3Å; Y159-H161 VanDerWaalsContact CD1-ND1 3.3Å; Y159-H161 WeakPolarHBondContact CD1-ND1 3.35Å; Y159-H161 AromaticContact CE1-ND1 3.91Å; Y159-H161 AromaticContact CG-CE1 3.91Å; Y159-H161 PolarHBondContact O-N 3.15Å; Y159-E214 PolarHBondContact OH-OE1 2.94Å; Y159-E214 PolarHBondContact OH-OE2 3.04Å; Y159-R340 VanDerWaalsContact CA-NH2 3.33Å
160	H	93.1	Very high	93.6	Very high	6 Å²	6	34 Å²	34	3%	0.028	18%	0.177	C	C	.	.			trans	-81.8	72.6	-178.5	-69.2	146.4	0	0	0	111.4	Y210 E214 R340 Y341	H160-Y210 HydrophobicContact CB-CD1 3.89Å; H160-Y210 HydrophobicContact CB-CD2 3.48Å; H160-Y210 VanDerWaalsContact CB-CD2 3.48Å; H160-Y210 HydrophobicContact CB-CE1 4.27Å; H160-Y210 HydrophobicContact CB-CE2 3.88Å; H160-Y210 HydrophobicContact CB-CG 3.48Å; H160-Y210 VanDerWaalsContact CB-CG 3.48Å; H160-Y210 AromaticContact CD2-CD1 3.74Å; H160-Y210 AromaticContact CD2-CE1 3.28Å; H160-Y210 WeakPolarHBondContact CD2-CE1 3.49Å; H160-Y210 AromaticContact CD2-CE2 3.71Å; H160-Y210 AromaticContact CD2-CZ 3.26Å; H160-Y210 AromaticContact CG-CD1 3.63Å; H160-Y210 AromaticContact CG-CD2 3.99Å; H160-Y210 AromaticContact CG-CE1 3.69Å; H160-Y210 AromaticContact CG-CG 3.8Å; H160-Y210 AromaticContact CG-CZ 3.9Å; H160-Y210 AromaticContact NE2-CE1 3.69Å; H160-E214 HydrophobicContact CB-CB 4.45Å; H160-E214 PolarHBondContact ND1-O 3.42Å; H160-R340 PolarHBondContact CD2-NH2 2.96Å; H160-R340 PolarHBondContact CE1-NH2 2.67Å; H160-R340 VanDerWaalsContact CE1-NH2 3.34Å; H160-R340 VanDerWaalsContact N-NH2 3.19Å; H160-R340 PolarHBondContact ND1-NH2 3.24Å; H160-R340 PolarHBondContact NE2-NH2 3.01Å; H160-Y341 AromaticContact CE1-CE1 3.83Å; H160-Y341 AromaticContact NE2-CE1 3.84Å
161	H	94.8	Very high	93.8	Very high	3 Å²	3	34 Å²	34	1%	0.014	18%	0.176	C	C	.	.			trans	-72.6	-25.3	-172.1	-78.3	-49.8	0	0	0	115.5	C140 H142 S143 Y154 Y159 Q163	C140-H161 VanDerWaalsContact SG-CB 3.53Å; H142-H161 AromaticContact CD2-CD2 3.48Å; H142-H161 PolarHBondContact CD2-CD2 3.15Å; H142-H161 VanDerWaalsContact CD2-CD2 3.48Å; H142-H161 AromaticContact CD2-CG 3.82Å; H142-H161 AromaticContact CD2-NE2 3.95Å; H142-H161 AromaticContact CE1-CD2 3.93Å; H142-H161 AromaticContact CE1-NE2 3.83Å; H142-H161 AromaticContact CG-CD2 3.62Å; H142-H161 AromaticContact CG-CE1 3.86Å; H142-H161 AromaticContact CG-CG 3.88Å; H142-H161 AromaticContact CG-NE2 3.63Å; H142-H161 AromaticContact ND1-CD2 3.89Å; H142-H161 AromaticContact ND1-NE2 3.55Å; H142-H161 AromaticContact NE2-CD2 3.71Å; S143-H161 PolarHBondContact N-ND1 3.4Å; S143-H161 PolarHBondContact OG-ND1 3.38Å; Y154-H161 PolarHBondContact O-NE2 3.19Å; Y159-H161 VanDerWaalsContact C-N 3.31Å; Y159-H161 AromaticContact CD1-CE1 3.43Å; Y159-H161 VanDerWaalsContact CD1-CE1 3.43Å; Y159-H161 WeakPolarHBondContact CD1-CE1 3.17Å; Y159-H161 AromaticContact CD1-CG 3.86Å; Y159-H161 AromaticContact CD1-ND1 3.3Å; Y159-H161 VanDerWaalsContact CD1-ND1 3.3Å; Y159-H161 WeakPolarHBondContact CD1-ND1 3.35Å; Y159-H161 AromaticContact CE1-ND1 3.91Å; Y159-H161 AromaticContact CG-CE1 3.91Å; Y159-H161 PolarHBondContact O-N 3.15Å; H161-Q163 PolarHBondContact O-N 3.26Å
162	L	95.9	Very high	94	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.161	C	C	.	.			trans	-67.9	95.8	-178.4	-179.2	54	0	0	0	110.1	F131 P137 C140 I164 P208 D209 Y210	F131-L162 HydrophobicContact CE2-CD1 3.58Å; F131-L162 HydrophobicContact CZ-CD1 3.65Å; P137-L162 HydrophobicContact CB-CD2 4.49Å; P137-L162 HydrophobicContact CG-CD2 3.98Å; C140-L162 HydrophobicContact CB-CB 3.88Å; C140-L162 HydrophobicContact CB-CD1 3.72Å; C140-L162 HydrophobicContact CB-CG 4.31Å; C140-L162 PolarHBondContact SG-N 2.99Å; L162-I164 HydrophobicContact CD1-CD1 4.07Å; L162-I164 HydrophobicContact CD1-CG1 4.39Å; L162-P208 WeakPolarHBondContact CD2-O 3.43Å; L162-D209 HydrophobicContact CD2-CB 4.47Å; L162-D209 HydrophobicContact CG-CB 3.87Å; L162-D209 WeakPolarHBondContact O-CB 3.38Å; L162-Y210 HydrophobicContact CB-CD2 3.98Å; L162-Y210 HydrophobicContact CB-CE2 4.27Å; L162-Y210 PolarHBondContact O-N 3.46Å
163	Q	96	Very high	94.2	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.047	14%	0.141	C	C	.	.			trans	-136.2	90.2	-176.7	-64.6	-166.9	-74.7	0	0	109.6	S143 H161 D165 A166 G211	S143-Q163 PolarHBondContact OG-OE1 3.28Å; H161-Q163 PolarHBondContact O-N 3.26Å; Q163-D165 PolarHBondContact O-N 3.5Å; Q163-A166 HydrophobicContact CB-CB 4.1Å; Q163-A166 PolarHBondContact O-N 3.36Å; Q163-G211 PolarHBondContact NE2-O 3.02Å
164	I	96.9	Very high	94.5	Very high	9 Å²	9	24.2 Å²	24.2	5%	0.046	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-32.2	-177.3	-62.6	-62.2	0	0	0	110.7	F131 L162 A166 V167 S168 A204 V207 D209 A234	F131-I164 HydrophobicContact CE1-CD1 4.23Å; F131-I164 HydrophobicContact CZ-CD1 4Å; L162-I164 HydrophobicContact CD1-CD1 4.07Å; L162-I164 HydrophobicContact CD1-CG1 4.39Å; I164-A166 VanDerWaalsContact C-N 3.32Å; I164-A166 PolarHBondContact O-N 3.4Å; I164-V167 PolarHBondContact O-N 2.59Å; I164-S168 VanDerWaalsContact O-CB 3.29Å; I164-S168 WeakPolarHBondContact O-CB 3.49Å; I164-S168 PolarHBondContact O-N 3.08Å; I164-S168 PolarHBondContact O-OG 3.23Å; I164-A204 HydrophobicContact CG2-CB 3.73Å; I164-V207 HydrophobicContact CD1-CG1 4.34Å; I164-V207 HydrophobicContact CG1-CG1 4.32Å; I164-D209 WeakPolarHBondContact CB-OD2 3.47Å; I164-D209 HydrophobicContact CG1-CB 4.19Å; I164-D209 PolarHBondContact N-OD2 2.98Å; I164-A234 HydrophobicContact CG2-CB 4.21Å
165	D	96.9	Very high	94.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-39.3	177	76.5	-61.6	0	0	0	112.3	R77 Q163 S168 L169 L233	R77-D165 IonicContact CZ-OD2 2.98Å; R77-D165 IonicContact NE-OD2 3.36Å; R77-D165 PolarHBondContact NE-OD2 3.38Å; R77-D165 IonicContact NH2-OD1 2.65Å; R77-D165 PolarHBondContact NH2-OD1 3.09Å; R77-D165 IonicContact NH2-OD2 2.97Å; R77-D165 PolarHBondContact NH2-OD2 3.32Å; Q163-D165 PolarHBondContact O-N 3.5Å; D165-S168 PolarHBondContact O-N 3.44Å; D165-L169 VanDerWaalsContact O-CB 3.3Å; D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 PolarHBondContact O-N 3.11Å; D165-L233 HydrophobicContact CB-CD1 3.8Å
166	A	97.1	Very high	95	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-69.1	-43.3	-179.6	0	0	0	0	0	112.6	Q163 I164 S168 L169 F170	Q163-A166 HydrophobicContact CB-CB 4.1Å; Q163-A166 PolarHBondContact O-N 3.36Å; I164-A166 VanDerWaalsContact C-N 3.32Å; I164-A166 PolarHBondContact O-N 3.4Å; A166-S168 VanDerWaalsContact C-N 3.33Å; A166-L169 PolarHBondContact O-N 2.71Å; A166-F170 PolarHBondContact O-N 3.4Å; A166-F170 VanDerWaalsContact O-N 3.09Å
167	V	97.8	Very high	95.7	Very high	11 Å²	11	10.6 Å²	10.6	7%	0.067	6%	0.064	C	C	.	.	H	α-helix	trans	-64.6	-41.7	174.7	-177.5	0	0	0	0	110.2	I164 F170 L171 V201	I164-V167 PolarHBondContact O-N 2.59Å; V167-F170 WeakPolarHBondContact O-CB 3.46Å; V167-F170 PolarHBondContact O-N 3.01Å; V167-L171 WeakPolarHBondContact O-CG 3.44Å; V167-L171 PolarHBondContact O-N 3.2Å; V167-L171 VanDerWaalsContact O-N 3.08Å; V167-V201 HydrophobicContact CB-CG2 4.28Å; V167-V201 HydrophobicContact CG1-CG2 3.77Å
168	S	98.3	Very high	96.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.2	-41.7	178.5	-56.5	0	0	0	0	112	I164 D165 A166 F170 L171 L172 V201 A234 A237	I164-S168 VanDerWaalsContact O-CB 3.29Å; I164-S168 WeakPolarHBondContact O-CB 3.49Å; I164-S168 PolarHBondContact O-N 3.08Å; I164-S168 PolarHBondContact O-OG 3.23Å; D165-S168 PolarHBondContact O-N 3.44Å; A166-S168 VanDerWaalsContact C-N 3.33Å; S168-F170 VanDerWaalsContact C-N 3.33Å; S168-F170 PolarHBondContact O-N 3.41Å; S168-L171 PolarHBondContact O-N 2.78Å; S168-L172 WeakPolarHBondContact O-CB 3.48Å; S168-L172 PolarHBondContact O-N 3.41Å; S168-V201 WeakPolarHBondContact OG-CG1 3.41Å; S168-A234 VanDerWaalsContact OG-CA 3.3Å; S168-A234 WeakPolarHBondContact OG-CA 3.42Å; S168-A237 VanDerWaalsContact O-CB 3.28Å; S168-A237 WeakPolarHBondContact O-CB 3.18Å
169	L	98.3	Very high	96.4	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	3%	0.027	C	C	.	.	H	α-helix	trans	-63.5	-38.6	175.9	-173.8	65.2	0	0	0	111.9	R77 L80 Y81 D165 A166 L172 Y173 L233 P295	R77-L169 HydrophobicContact CG-CD2 3.85Å; L80-L169 HydrophobicContact CB-CD2 4.3Å; L80-L169 HydrophobicContact CD1-CB 4.01Å; L80-L169 HydrophobicContact CD1-CD2 3.92Å; L80-L169 HydrophobicContact CD1-CG 3.85Å; Y81-L169 HydrophobicContact CD2-CD2 4.39Å; Y81-L169 HydrophobicContact CE2-CD2 3.75Å; D165-L169 VanDerWaalsContact O-CB 3.3Å; D165-L169 WeakPolarHBondContact O-CB 3.39Å; D165-L169 PolarHBondContact O-N 3.11Å; A166-L169 PolarHBondContact O-N 2.71Å; L169-L172 PolarHBondContact O-N 3.1Å; L169-Y173 HydrophobicContact CD1-CD2 3.83Å; L169-Y173 HydrophobicContact CD1-CE2 3.56Å; L169-Y173 HydrophobicContact CD2-CE2 4.25Å; L169-Y173 HydrophobicContact CG-CD2 3.86Å; L169-Y173 HydrophobicContact CG-CE2 3.87Å; L169-Y173 PolarHBondContact O-N 3.1Å; L169-L233 HydrophobicContact CB-CD2 4.45Å; L169-L233 HydrophobicContact CD1-CD2 4.05Å; L169-P295 HydrophobicContact CD1-CG 3.58Å
170	F	98.6	Very high	96.5	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.5	-47.9	173.3	168.2	-103.4	0	0	0	111.3	L80 M114 I117 L118 Y121 A166 V167 S168 L172 Y173 L174 I194 L197	L80-F170 HydrophobicContact CD1-CB 3.98Å; L80-F170 HydrophobicContact CD2-CB 4.23Å; L80-F170 HydrophobicContact CD2-CD2 4.07Å; M114-F170 HydrophobicContact CE-CD2 3.7Å; M114-F170 HydrophobicContact CE-CE2 3.74Å; M114-F170 HydrophobicContact SD-CD2 4.32Å; M114-F170 HydrophobicContact SD-CE2 4.46Å; I117-F170 HydrophobicContact CB-CD2 4.21Å; I117-F170 HydrophobicContact CB-CE2 4.12Å; I117-F170 HydrophobicContact CG2-CD2 3.64Å; I117-F170 HydrophobicContact CG2-CE2 3.86Å; I117-F170 HydrophobicContact CG2-CG 4.22Å; L118-F170 HydrophobicContact CB-CZ 4.15Å; L118-F170 HydrophobicContact CD1-CZ 4.42Å; Y121-F170 HydrophobicContact CD2-CD1 4.35Å; Y121-F170 HydrophobicContact CD2-CE1 4.4Å; Y121-F170 HydrophobicContact CE2-CB 4.49Å; Y121-F170 HydrophobicContact CE2-CD1 4.12Å; Y121-F170 HydrophobicContact CE2-CG 4.25Å; A166-F170 PolarHBondContact O-N 3.4Å; A166-F170 VanDerWaalsContact O-N 3.09Å; V167-F170 WeakPolarHBondContact O-CB 3.46Å; V167-F170 PolarHBondContact O-N 3.01Å; S168-F170 VanDerWaalsContact C-N 3.33Å; S168-F170 PolarHBondContact O-N 3.41Å; F170-L172 VanDerWaalsContact C-N 3.33Å; F170-L172 PolarHBondContact O-N 3.05Å; F170-Y173 PolarHBondContact O-N 3.28Å; F170-L174 WeakPolarHBondContact O-CB 3.4Å; F170-L174 PolarHBondContact O-N 2.9Å; F170-I194 HydrophobicContact CE1-CD1 3.73Å; F170-I194 HydrophobicContact CZ-CD1 4.23Å; F170-L197 HydrophobicContact CD1-CD1 4.48Å; F170-L197 HydrophobicContact CE1-CD1 4.24Å
171	L	98.5	Very high	96.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.1	-38.7	177.9	-67.4	176.4	0	0	0	112.2	V167 S168 V175 I194 L197 V198 V201 A237 I241	V167-L171 WeakPolarHBondContact O-CG 3.44Å; V167-L171 PolarHBondContact O-N 3.2Å; V167-L171 VanDerWaalsContact O-N 3.08Å; S168-L171 PolarHBondContact O-N 2.78Å; L171-V175 WeakPolarHBondContact O-CG2 3.36Å; L171-V175 PolarHBondContact O-N 3.23Å; L171-I194 HydrophobicContact CD2-CD1 4.48Å; L171-I194 HydrophobicContact CD2-CG2 3.89Å; L171-L197 HydrophobicContact CD2-CB 4.49Å; L171-V198 HydrophobicContact CD1-CG2 4.17Å; L171-V201 HydrophobicContact CD1-CG2 4.09Å; L171-A237 HydrophobicContact CB-CB 4.07Å; L171-I241 HydrophobicContact CD2-CD1 3.96Å
172	L	97.6	Very high	96.5	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-63.3	-55.3	176.6	-178.8	61.4	0	0	0	110.9	S168 L169 F170 L174 V175 E176 L233 A236 A237 A240 P295	S168-L172 WeakPolarHBondContact O-CB 3.48Å; S168-L172 PolarHBondContact O-N 3.41Å; L169-L172 PolarHBondContact O-N 3.1Å; F170-L172 VanDerWaalsContact C-N 3.33Å; F170-L172 PolarHBondContact O-N 3.05Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.22Å; L172-V175 PolarHBondContact O-N 2.8Å; L172-V175 VanDerWaalsContact O-N 3.09Å; L172-E176 HydrophobicContact CD1-CG 4.5Å; L172-E176 WeakPolarHBondContact O-CG 3.3Å; L172-E176 PolarHBondContact O-N 2.86Å; L172-L233 HydrophobicContact CD2-CD2 4.4Å; L172-A236 HydrophobicContact CD2-CB 4.49Å; L172-A237 HydrophobicContact CB-CB 4.49Å; L172-A240 HydrophobicContact CD1-CB 3.67Å; L172-P295 HydrophobicContact CD2-CB 4.19Å; L172-P295 HydrophobicContact CD2-CG 4.45Å
173	Y	98.3	Very high	96.4	Very high	1 Å²	1	11.5 Å²	11.5	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-30.6	178.9	-81.9	-51.2	0	0	0	113.3	L80 Y81 A84 W87 L169 F170 V175 E176 M177 Y294 P295	L80-Y173 HydrophobicContact CB-CD2 4.13Å; L80-Y173 HydrophobicContact CB-CE2 4.44Å; L80-Y173 HydrophobicContact CD2-CD2 4.46Å; Y81-Y173 HydrophobicContact CD1-CE2 4.45Å; Y81-Y173 HydrophobicContact CE1-CE2 4.43Å; A84-Y173 HydrophobicContact CB-CD1 4.4Å; A84-Y173 HydrophobicContact CB-CE1 3.81Å; A84-Y173 HydrophobicContact CB-CE2 4.24Å; W87-Y173 HydrophobicContact CZ3-CD1 4.47Å; W87-Y173 HydrophobicContact CZ3-CE1 4.47Å; L169-Y173 HydrophobicContact CD1-CD2 3.83Å; L169-Y173 HydrophobicContact CD1-CE2 3.56Å; L169-Y173 HydrophobicContact CD2-CE2 4.25Å; L169-Y173 HydrophobicContact CG-CD2 3.86Å; L169-Y173 HydrophobicContact CG-CE2 3.87Å; L169-Y173 PolarHBondContact O-N 3.1Å; F170-Y173 PolarHBondContact O-N 3.28Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 2.94Å; Y173-E176 PolarHBondContact O-N 3.31Å; Y173-M177 HydrophobicContact CD1-CE 4.46Å; Y173-M177 VanDerWaalsContact O-CB 3.23Å; Y173-M177 WeakPolarHBondContact O-CB 3.38Å; Y173-M177 VanDerWaalsContact O-CG 3.27Å; Y173-M177 WeakPolarHBondContact O-CG 3.32Å; Y173-M177 PolarHBondContact O-N 3.15Å; Y173-Y294 PolarHBondContact OH-OH 2.96Å; Y173-P295 HydrophobicContact CE1-CB 4.44Å
174	L	98.2	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-56.8	-46.6	172.4	-178.1	67.1	0	0	0	110.8	M114 F170 L172 I178 I184 I185 I194 L246	M114-L174 HydrophobicContact CE-CB 4.01Å; M114-L174 HydrophobicContact CE-CD1 4.39Å; F170-L174 WeakPolarHBondContact O-CB 3.4Å; F170-L174 PolarHBondContact O-N 2.9Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 PolarHBondContact O-N 3.22Å; L174-I178 HydrophobicContact CD1-CD1 3.73Å; L174-I178 HydrophobicContact CD1-CG1 4.47Å; L174-I178 HydrophobicContact CG-CD1 3.88Å; L174-I178 WeakPolarHBondContact O-CB 3.49Å; L174-I178 WeakPolarHBondContact O-CD1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 3.36Å; L174-I178 VanDerWaalsContact O-N 3.08Å; L174-I184 HydrophobicContact CD1-CB 3.97Å; L174-I184 HydrophobicContact CD1-CD1 4.16Å; L174-I184 HydrophobicContact CD1-CG2 3.6Å; L174-I185 HydrophobicContact CD1-CD1 4.12Å; L174-I185 HydrophobicContact CD1-CG1 4.14Å; L174-I185 HydrophobicContact CD2-CD1 4.41Å; L174-I194 HydrophobicContact CD2-CD1 3.81Å; L174-I194 HydrophobicContact CD2-CG1 4.13Å; L174-I194 HydrophobicContact CD2-CG2 4.2Å; L174-L246 HydrophobicContact CD2-CD2 4.01Å; L174-L246 HydrophobicContact CG-CD2 4.46Å
175	V	96.4	Very high	96.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.7	-49.8	177.7	174.2	0	0	0	0	111.2	L171 L172 Y173 M177 I178 C179 A240 I241 F244 I459	L171-V175 WeakPolarHBondContact O-CG2 3.36Å; L171-V175 PolarHBondContact O-N 3.23Å; L172-V175 PolarHBondContact O-N 2.8Å; L172-V175 VanDerWaalsContact O-N 3.09Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 2.94Å; V175-M177 PolarHBondContact O-N 3.48Å; V175-I178 PolarHBondContact O-N 3.26Å; V175-C179 WeakPolarHBondContact O-CB 3.42Å; V175-C179 PolarHBondContact O-N 3.04Å; V175-A240 HydrophobicContact CB-CB 4.29Å; V175-A240 HydrophobicContact CG1-CB 4.16Å; V175-A240 HydrophobicContact CG2-CB 4.36Å; V175-I241 HydrophobicContact CG2-CB 3.79Å; V175-I241 HydrophobicContact CG2-CD1 4.4Å; V175-I241 HydrophobicContact CG2-CG1 3.77Å; V175-F244 HydrophobicContact CB-CE1 4.44Å; V175-F244 HydrophobicContact CG1-CD1 4.29Å; V175-F244 HydrophobicContact CG1-CD2 3.85Å; V175-F244 HydrophobicContact CG1-CE1 4.27Å; V175-F244 HydrophobicContact CG1-CE2 3.84Å; V175-F244 HydrophobicContact CG1-CG 4.07Å; V175-F244 HydrophobicContact CG1-CZ 4.05Å; V175-F244 HydrophobicContact CG2-CD1 3.99Å; V175-F244 HydrophobicContact CG2-CE1 4.32Å; V175-F244 HydrophobicContact CG2-CG 4.27Å; V175-I459 HydrophobicContact CG1-CD1 4.03Å; V175-I459 HydrophobicContact CG1-CG2 4.33Å
176	E	95.3	Very high	96.3	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-47.7	-178.8	-62	-65	170.1	0	0	111.5	W87 L172 Y173 C179 S180 D457 P458 I459	W87-E176 HydrophobicContact CH2-CB 3.8Å; W87-E176 HydrophobicContact CZ2-CB 4.46Å; W87-E176 HydrophobicContact CZ3-CB 4.4Å; L172-E176 HydrophobicContact CD1-CG 4.5Å; L172-E176 WeakPolarHBondContact O-CG 3.3Å; L172-E176 PolarHBondContact O-N 2.86Å; Y173-E176 PolarHBondContact O-N 3.31Å; E176-C179 PolarHBondContact O-N 2.91Å; E176-S180 PolarHBondContact O-N 3.08Å; E176-D457 WeakPolarHBondContact OE2-CA 3.44Å; E176-P458 HydrophobicContact CB-CG 4.46Å; E176-P458 VanDerWaalsContact O-CG 3.3Å; E176-P458 WeakPolarHBondContact O-CG 3.25Å; E176-P458 WeakPolarHBondContact OE2-CD 3.24Å; E176-P458 WeakPolarHBondContact OE2-CG 3.32Å; E176-I459 VanDerWaalsContact CD-CG1 3.46Å; E176-I459 VanDerWaalsContact OE1-CD1 3.3Å; E176-I459 WeakPolarHBondContact OE1-CD1 3.37Å; E176-I459 WeakPolarHBondContact OE1-CG1 3.3Å; E176-I459 WeakPolarHBondContact OE2-CG1 3.32Å
177	M	97.2	Very high	96.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.9	-42.7	-178.7	-72	-177.2	-175.3	0	0	112.2	A83 A84 W87 M114 Y173 V175 C179 S180 G181 L182 I184	A83-M177 HydrophobicContact CB-CE 4.18Å; A84-M177 HydrophobicContact CB-CE 4.41Å; W87-M177 HydrophobicContact CB-CE 3.99Å; W87-M177 HydrophobicContact CD2-CE 4.26Å; W87-M177 HydrophobicContact CD2-CG 3.86Å; W87-M177 HydrophobicContact CE3-CE 4.09Å; W87-M177 HydrophobicContact CE3-CG 4.18Å; W87-M177 HydrophobicContact CG-CE 4.26Å; W87-M177 HydrophobicContact CG-CG 4.11Å; M114-M177 HydrophobicContact CG-SD 3.67Å; M114-M177 HydrophobicContact SD-SD 4.16Å; Y173-M177 HydrophobicContact CD1-CE 4.46Å; Y173-M177 VanDerWaalsContact O-CB 3.23Å; Y173-M177 WeakPolarHBondContact O-CB 3.38Å; Y173-M177 VanDerWaalsContact O-CG 3.27Å; Y173-M177 WeakPolarHBondContact O-CG 3.32Å; Y173-M177 PolarHBondContact O-N 3.15Å; V175-M177 PolarHBondContact O-N 3.48Å; M177-C179 VanDerWaalsContact C-N 3.32Å; M177-C179 PolarHBondContact O-N 3.42Å; M177-S180 PolarHBondContact O-N 3.19Å; M177-S180 PolarHBondContact O-OG 3.11Å; M177-G181 PolarHBondContact O-N 3.33Å; M177-L182 HydrophobicContact CB-CD1 4.11Å; M177-L182 HydrophobicContact CG-CD1 4.38Å; M177-L182 WeakPolarHBondContact O-CB 3.44Å; M177-L182 PolarHBondContact O-N 2.78Å; M177-L182 VanDerWaalsContact O-N 3.11Å; M177-I184 HydrophobicContact CB-CD1 3.71Å; M177-I184 HydrophobicContact SD-CD1 4.23Å
178	I	96.1	Very high	95.9	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-39.3	174.8	-66.6	167.2	0	0	0	110.7	L174 V175 S180 G181 L182 I184 I185 F244 L246 M473	L174-I178 HydrophobicContact CD1-CD1 3.73Å; L174-I178 HydrophobicContact CD1-CG1 4.47Å; L174-I178 HydrophobicContact CG-CD1 3.88Å; L174-I178 WeakPolarHBondContact O-CB 3.49Å; L174-I178 WeakPolarHBondContact O-CD1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.43Å; L174-I178 PolarHBondContact O-N 3.36Å; L174-I178 VanDerWaalsContact O-N 3.08Å; V175-I178 PolarHBondContact O-N 3.26Å; I178-S180 PolarHBondContact O-N 2.92Å; I178-G181 WeakPolarHBondContact O-CA 3.22Å; I178-G181 PolarHBondContact O-N 3.01Å; I178-L182 WeakPolarHBondContact CA-O 3.31Å; I178-I184 HydrophobicContact CD1-CB 4.46Å; I178-I184 HydrophobicContact CG1-CB 4.29Å; I178-I184 HydrophobicContact CG1-CD1 4.29Å; I178-I184 HydrophobicContact CG1-CG1 4.4Å; I178-I185 HydrophobicContact CD1-CG1 4.21Å; I178-F244 HydrophobicContact CB-CE1 3.9Å; I178-F244 HydrophobicContact CB-CZ 3.85Å; I178-F244 HydrophobicContact CD1-CE1 4.28Å; I178-F244 HydrophobicContact CG2-CE1 3.73Å; I178-F244 HydrophobicContact CG2-CZ 3.65Å; I178-L246 HydrophobicContact CD1-CD2 4.24Å; I178-M473 HydrophobicContact CG2-SD 4.5Å
179	C	92.8	Very high	95.7	Very high	24 Å²	24	23.8 Å²	23.8	16%	0.162	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-31.9	177.3	-167.8	0	0	0	0	112.2	V175 E176 M177 G181 F244 P458 I459	V175-C179 WeakPolarHBondContact O-CB 3.42Å; V175-C179 PolarHBondContact O-N 3.04Å; E176-C179 PolarHBondContact O-N 2.91Å; M177-C179 VanDerWaalsContact C-N 3.32Å; M177-C179 PolarHBondContact O-N 3.42Å; C179-G181 PolarHBondContact O-N 3.28Å; C179-F244 HydrophobicContact CB-CE2 4.23Å; C179-F244 HydrophobicContact CB-CZ 4.35Å; C179-P458 HydrophobicContact CB-CB 4.31Å; C179-P458 HydrophobicContact CB-CG 4.01Å; C179-I459 HydrophobicContact CB-CG2 4.12Å
180	S	92.7	Very high	95.6	Very high	19 Å²	19	24.3 Å²	24.3	13%	0.133	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.4	171.1	81.8	0	0	0	0	113.4	W87 R94 E176 M177 I178	W87-S180 PolarHBondContact NE1-OG 3.18Å; R94-S180 PolarHBondContact NH1-O 2.97Å; E176-S180 PolarHBondContact O-N 3.08Å; M177-S180 PolarHBondContact O-N 3.19Å; M177-S180 PolarHBondContact O-OG 3.11Å; I178-S180 PolarHBondContact O-N 2.92Å
181	G	92.3	Very high	95.5	Very high	47 Å²	47	24.7 Å²	24.7	49%	0.485	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	4.6	179	0	0	0	0	0	115.3	M177 I178 C179	M177-G181 PolarHBondContact O-N 3.33Å; I178-G181 WeakPolarHBondContact O-CA 3.22Å; I178-G181 PolarHBondContact O-N 3.01Å; C179-G181 PolarHBondContact O-N 3.28Å
182	L	94.9	Very high	95.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	14%	0.144	C	C	.	.			trans	-74.8	139.4	176.1	-56.1	-168	0	0	0	111.5	E107 I111 M177 I178 I184	E107-L182 HydrophobicContact CB-CD2 3.83Å; E107-L182 HydrophobicContact CG-CD2 3.74Å; E107-L182 VanDerWaalsContact OE2-CD2 3.26Å; E107-L182 WeakPolarHBondContact OE2-CD2 3.32Å; I111-L182 HydrophobicContact CD1-CB 4.19Å; I111-L182 HydrophobicContact CD1-CD2 4.32Å; I111-L182 HydrophobicContact CG1-CB 4.09Å; I111-L182 HydrophobicContact CG1-CD1 4.12Å; M177-L182 HydrophobicContact CB-CD1 4.11Å; M177-L182 HydrophobicContact CG-CD1 4.38Å; M177-L182 WeakPolarHBondContact O-CB 3.44Å; M177-L182 PolarHBondContact O-N 2.78Å; M177-L182 VanDerWaalsContact O-N 3.11Å; I178-L182 WeakPolarHBondContact CA-O 3.31Å; L182-I184 HydrophobicContact CB-CG1 4.4Å
183	Q	94.3	Very high	95.4	Very high	103 Å²	103	25.6 Å²	25.6	48%	0.481	14%	0.143	S	C	.	.			trans	-97.4	102.3	175.6	-64.3	-172.6	-32.2	0	0	110.4	Y186	Q183-Y186 HydrophobicContact CB-CE1 4.13Å; Q183-Y186 VanDerWaalsContact O-CE1 3.26Å; Q183-Y186 WeakPolarHBondContact O-CE1 3.45Å; Q183-Y186 PolarHBondContact O-OH 2.94Å; Q183-Y186 VanDerWaalsContact O-OH 3.14Å
184	I	97	Very high	95.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.143	C	C	.	.			trans	-106.3	-39.3	-177.4	-60.2	173.5	0	0	0	112.1	I111 M114 R115 L174 M177 I178 L182	I111-I184 HydrophobicContact CG1-CG1 4.25Å; M114-I184 HydrophobicContact CB-CD1 4.06Å; M114-I184 HydrophobicContact CB-CG2 3.9Å; M114-I184 HydrophobicContact CG-CD1 4.05Å; R115-I184 HydrophobicContact CG-CG2 4.16Å; R115-I184 PolarHBondContact NH1-O 2.8Å; L174-I184 HydrophobicContact CD1-CB 3.97Å; L174-I184 HydrophobicContact CD1-CD1 4.16Å; L174-I184 HydrophobicContact CD1-CG2 3.6Å; M177-I184 HydrophobicContact CB-CD1 3.71Å; M177-I184 HydrophobicContact SD-CD1 4.23Å; I178-I184 HydrophobicContact CD1-CB 4.46Å; I178-I184 HydrophobicContact CG1-CB 4.29Å; I178-I184 HydrophobicContact CG1-CD1 4.29Å; I178-I184 HydrophobicContact CG1-CG1 4.4Å; L182-I184 HydrophobicContact CB-CG1 4.4Å
185	I	97.1	Very high	95.3	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	14%	0.144	C	C	.	.			trans	-101.5	131.7	-178.3	-55.3	-61.5	0	0	0	109.7	L118 L174 I178 E190 V191 I194 L246 F247	L118-I185 HydrophobicContact CD2-CD1 3.6Å; L174-I185 HydrophobicContact CD1-CD1 4.12Å; L174-I185 HydrophobicContact CD1-CG1 4.14Å; L174-I185 HydrophobicContact CD2-CD1 4.41Å; I178-I185 HydrophobicContact CD1-CG1 4.21Å; I185-E190 WeakPolarHBondContact CA-OE2 3.41Å; I185-E190 HydrophobicContact CG2-CB 3.83Å; I185-V191 HydrophobicContact CG2-CG2 3.87Å; I185-I194 HydrophobicContact CD1-CD1 4.48Å; I185-I194 HydrophobicContact CD1-CG1 4.11Å; I185-L246 HydrophobicContact CB-CB 4.23Å; I185-L246 HydrophobicContact CG1-CB 4.17Å; I185-L246 HydrophobicContact CG1-CD1 4.46Å; I185-L246 HydrophobicContact CG2-CB 4.23Å; I185-F247 HydrophobicContact CG2-CD1 4.31Å; I185-F247 HydrophobicContact CG2-CE1 3.92Å; I185-F247 WeakPolarHBondContact O-CD1 3.36Å
186	Y	94	Very high	95.4	Very high	120 Å²	120	25.7 Å²	25.7	47%	0.471	14%	0.144	S	C	.	.			trans	-118.9	-21.5	-168.7	-62.6	-23.4	0	0	0	115.1	R115 Q183 E190	R115-Y186 WeakPolarHBondContact CD-OH 3.44Å; R115-Y186 VanDerWaalsContact NH1-CE2 3.28Å; Q183-Y186 HydrophobicContact CB-CE1 4.13Å; Q183-Y186 VanDerWaalsContact O-CE1 3.26Å; Q183-Y186 WeakPolarHBondContact O-CE1 3.45Å; Q183-Y186 PolarHBondContact O-OH 2.94Å; Q183-Y186 VanDerWaalsContact O-OH 3.14Å; Y186-E190 PolarHBondContact N-OE2 3.04Å
187	N	93.4	Very high	95.5	Very high	60 Å²	60	25.5 Å²	25.5	32%	0.321	14%	0.143	S	C	.	.	S	Bend	trans	-145.8	169.4	-176.9	65.5	62.8	0	0	0	112.9	D189 E190 V191	N187-D189 VanDerWaalsContact C-N 3.3Å; N187-D189 PolarHBondContact O-N 2.89Å; N187-D189 WeakPolarHBondContact OD1-CA 3.17Å; N187-D189 WeakPolarHBondContact OD1-CB 3.48Å; N187-D189 PolarHBondContact OD1-N 3.13Å; N187-E190 PolarHBondContact O-N 3.29Å; N187-E190 PolarHBondContact OD1-N 3.34Å; N187-V191 WeakPolarHBondContact O-CG2 3.44Å; N187-V191 PolarHBondContact O-N 3.36Å; N187-V191 VanDerWaalsContact O-N 3.17Å
188	T	91.8	Very high	95.5	Very high	70 Å²	70	25.5 Å²	25.5	43%	0.429	14%	0.143	S	C	.	.	H	α-helix	trans	-70.5	-23.3	-177.4	51.8	0	0	0	0	113.8	S192	T188-S192 WeakPolarHBondContact O-CB 3.22Å; T188-S192 PolarHBondContact O-N 3.1Å; T188-S192 PolarHBondContact O-OG 2.84Å
189	D	95	Very high	95.5	Very high	33 Å²	33	25.4 Å²	25.4	18%	0.176	14%	0.142	C	C	.	.	H	α-helix	trans	-69.2	-43	175.5	-61	-47	0	0	0	110	N187 S192 F193 N536 K538	N187-D189 VanDerWaalsContact C-N 3.3Å; N187-D189 PolarHBondContact O-N 2.89Å; N187-D189 WeakPolarHBondContact OD1-CA 3.17Å; N187-D189 WeakPolarHBondContact OD1-CB 3.48Å; N187-D189 PolarHBondContact OD1-N 3.13Å; D189-S192 PolarHBondContact O-N 2.86Å; D189-F193 PolarHBondContact O-N 2.99Å; D189-N536 WeakPolarHBondContact CA-ND2 3.23Å; D189-N536 PolarHBondContact OD1-ND2 3.06Å; D189-K538 IonicContact OD1-NZ 2.83Å; D189-K538 IonicContact OD2-NZ 3.99Å; D189-K538 PolarHBondContact OD2-NZ 2.83Å
190	E	97.1	Very high	95.6	Very high	13 Å²	13	24.5 Å²	24.5	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-43.4	172.3	-68.1	176.9	177	0	0	111.6	R115 L118 M122 I185 Y186 N187 S192 F193 I194	R115-E190 IonicContact CZ-OE1 2.67Å; R115-E190 IonicContact NH1-OE1 3.65Å; R115-E190 PolarHBondContact NH1-OE1 3.39Å; R115-E190 IonicContact NH1-OE2 2.76Å; R115-E190 PolarHBondContact NH1-OE2 3.24Å; R115-E190 IonicContact NH2-OE1 3.3Å; R115-E190 PolarHBondContact NH2-OE1 3.1Å; L118-E190 HydrophobicContact CD2-CB 4.35Å; L118-E190 HydrophobicContact CD2-CG 4.08Å; M122-E190 HydrophobicContact CE-CG 4.1Å; M122-E190 HydrophobicContact SD-CG 3.77Å; I185-E190 WeakPolarHBondContact CA-OE2 3.41Å; I185-E190 HydrophobicContact CG2-CB 3.83Å; Y186-E190 PolarHBondContact N-OE2 3.04Å; N187-E190 PolarHBondContact O-N 3.29Å; N187-E190 PolarHBondContact OD1-N 3.34Å; E190-S192 VanDerWaalsContact C-N 3.35Å; E190-S192 PolarHBondContact O-N 2.77Å; E190-F193 WeakPolarHBondContact O-CB 3.24Å; E190-F193 PolarHBondContact O-N 3.16Å; E190-I194 WeakPolarHBondContact O-CG1 3.22Å; E190-I194 PolarHBondContact O-N 2.85Å
191	V	95.8	Very high	95.7	Very high	8 Å²	8	23.7 Å²	23.7	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-57.6	-47.7	174	171.7	0	0	0	0	111.2	I185 N187 F193 I194 Q195 L246 F247 I257	I185-V191 HydrophobicContact CG2-CG2 3.87Å; N187-V191 WeakPolarHBondContact O-CG2 3.44Å; N187-V191 PolarHBondContact O-N 3.36Å; N187-V191 VanDerWaalsContact O-N 3.17Å; V191-F193 VanDerWaalsContact C-N 3.28Å; V191-F193 PolarHBondContact O-N 3.03Å; V191-I194 PolarHBondContact O-N 3.33Å; V191-Q195 PolarHBondContact O-N 2.9Å; V191-L246 HydrophobicContact CB-CD1 4.39Å; V191-L246 HydrophobicContact CG1-CD1 4.33Å; V191-L246 HydrophobicContact CG2-CB 4.28Å; V191-L246 HydrophobicContact CG2-CD1 4.2Å; V191-F247 HydrophobicContact CG2-CE1 4.02Å; V191-F247 HydrophobicContact CG2-CZ 3.92Å; V191-I257 HydrophobicContact CG1-CD1 4.31Å
192	S	95.6	Very high	95.8	Very high	20 Å²	20	21.6 Å²	21.6	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-39.3	179.3	-57.8	0	0	0	0	111.1	T188 D189 E190 Q195 N196	T188-S192 WeakPolarHBondContact O-CB 3.22Å; T188-S192 PolarHBondContact O-N 3.1Å; T188-S192 PolarHBondContact O-OG 2.84Å; D189-S192 PolarHBondContact O-N 2.86Å; E190-S192 VanDerWaalsContact C-N 3.35Å; E190-S192 PolarHBondContact O-N 2.77Å; S192-Q195 PolarHBondContact O-N 3.22Å; S192-N196 PolarHBondContact O-N 2.85Å; S192-N196 VanDerWaalsContact O-N 3.08Å; S192-N196 PolarHBondContact O-ND2 2.77Å
193	F	98.1	Very high	95.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-48.3	175.6	-176	-96.7	0	0	0	112.1	L118 Y121 M122 A125 V128 D189 E190 V191 Q195 N196 L197 L539 L541	L118-F193 HydrophobicContact CD1-CD1 3.8Å; L118-F193 HydrophobicContact CD1-CE1 4.16Å; Y121-F193 WeakPolarHBondContact O-CZ 3.41Å; M122-F193 HydrophobicContact CG-CB 4.26Å; M122-F193 HydrophobicContact CG-CD1 3.57Å; M122-F193 HydrophobicContact CG-CD2 3.95Å; M122-F193 HydrophobicContact CG-CE1 3.86Å; M122-F193 HydrophobicContact CG-CE2 4.24Å; M122-F193 HydrophobicContact CG-CG 3.64Å; M122-F193 HydrophobicContact CG-CZ 4.22Å; A125-F193 HydrophobicContact CB-CD2 4.43Å; A125-F193 HydrophobicContact CB-CE2 4.17Å; V128-F193 HydrophobicContact CG2-CE2 3.9Å; V128-F193 HydrophobicContact CG2-CZ 3.99Å; D189-F193 PolarHBondContact O-N 2.99Å; E190-F193 WeakPolarHBondContact O-CB 3.24Å; E190-F193 PolarHBondContact O-N 3.16Å; V191-F193 VanDerWaalsContact C-N 3.28Å; V191-F193 PolarHBondContact O-N 3.03Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 3.35Å; F193-N196 PolarHBondContact O-N 2.88Å; F193-L197 HydrophobicContact CD1-CD1 4.16Å; F193-L197 HydrophobicContact CD1-CG 4.25Å; F193-L197 HydrophobicContact CE1-CD1 3.64Å; F193-L197 HydrophobicContact CE1-CD2 4.09Å; F193-L197 HydrophobicContact CE1-CG 3.79Å; F193-L197 HydrophobicContact CZ-CD1 4.39Å; F193-L197 HydrophobicContact CZ-CD2 4.01Å; F193-L197 HydrophobicContact CZ-CG 4.18Å; F193-L197 PolarHBondContact O-N 3.45Å; F193-L539 HydrophobicContact CB-CD1 4.07Å; F193-L539 HydrophobicContact CD2-CD1 4.3Å; F193-L541 HydrophobicContact CD2-CD1 4.13Å
194	I	98.3	Very high	95.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-42.7	176.6	-64.4	-59.6	0	0	0	111.4	L118 F170 L171 L174 I185 E190 V191 N196 L197 V198 I241 L246 I257	L118-I194 HydrophobicContact CD1-CD1 3.88Å; F170-I194 HydrophobicContact CE1-CD1 3.73Å; F170-I194 HydrophobicContact CZ-CD1 4.23Å; L171-I194 HydrophobicContact CD2-CD1 4.48Å; L171-I194 HydrophobicContact CD2-CG2 3.89Å; L174-I194 HydrophobicContact CD2-CD1 3.81Å; L174-I194 HydrophobicContact CD2-CG1 4.13Å; L174-I194 HydrophobicContact CD2-CG2 4.2Å; I185-I194 HydrophobicContact CD1-CD1 4.48Å; I185-I194 HydrophobicContact CD1-CG1 4.11Å; E190-I194 WeakPolarHBondContact O-CG1 3.22Å; E190-I194 PolarHBondContact O-N 2.85Å; V191-I194 PolarHBondContact O-N 3.33Å; I194-N196 VanDerWaalsContact C-N 3.26Å; I194-N196 PolarHBondContact O-N 3.48Å; I194-L197 HydrophobicContact CD1-CD1 4.17Å; I194-L197 WeakPolarHBondContact O-CB 3.35Å; I194-L197 PolarHBondContact O-N 2.89Å; I194-L197 VanDerWaalsContact O-N 3.13Å; I194-V198 PolarHBondContact O-N 2.88Å; I194-I241 HydrophobicContact CG2-CD1 3.75Å; I194-L246 HydrophobicContact CB-CD1 3.76Å; I194-L246 HydrophobicContact CG1-CD1 4.03Å; I194-L246 HydrophobicContact CG2-CD1 3.73Å; I194-L246 HydrophobicContact CG2-CD2 4.45Å; I194-I257 HydrophobicContact CG2-CD1 4.2Å; I194-I257 HydrophobicContact CG2-CG1 4.44Å
195	Q	97.1	Very high	95.1	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-35	175.7	-177.3	61.9	75.6	0	0	112.3	V191 S192 F193 V198 F199 I257 F258 L533 A534	V191-Q195 PolarHBondContact O-N 2.9Å; S192-Q195 PolarHBondContact O-N 3.22Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 3.35Å; Q195-V198 WeakPolarHBondContact O-CB 3.37Å; Q195-V198 PolarHBondContact O-N 3.35Å; Q195-F199 HydrophobicContact CG-CE1 4.33Å; Q195-F199 HydrophobicContact CG-CE2 4.08Å; Q195-F199 HydrophobicContact CG-CZ 3.7Å; Q195-F199 VanDerWaalsContact NE2-CE1 3.28Å; Q195-F199 WeakPolarHBondContact O-CD2 3.49Å; Q195-F199 WeakPolarHBondContact O-CG 3.46Å; Q195-F199 PolarHBondContact O-N 3.2Å; Q195-I257 HydrophobicContact CB-CD1 3.77Å; Q195-F258 PolarHBondContact NE2-O 3Å; Q195-F258 PolarHBondContact OE1-O 3.42Å; Q195-L533 HydrophobicContact CG-CD1 4.37Å; Q195-L533 HydrophobicContact CG-CD2 4.32Å; Q195-L533 HydrophobicContact CG-CG 4.04Å; Q195-A534 HydrophobicContact CB-CB 3.51Å; Q195-A534 HydrophobicContact CG-CB 3.4Å
196	N	97.6	Very high	94.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-72.2	-34.5	174.5	-80.5	-90.7	0	0	0	112.6	V128 K132 S192 F193 I194 V198 F199 C200 A534 L541	V128-N196 HydrophobicContact CG1-CB 3.85Å; K132-N196 WeakPolarHBondContact CE-OD1 3.29Å; K132-N196 PolarHBondContact NZ-OD1 2.89Å; S192-N196 PolarHBondContact O-N 2.85Å; S192-N196 VanDerWaalsContact O-N 3.08Å; S192-N196 PolarHBondContact O-ND2 2.77Å; F193-N196 PolarHBondContact O-N 2.88Å; I194-N196 VanDerWaalsContact C-N 3.26Å; I194-N196 PolarHBondContact O-N 3.48Å; N196-V198 VanDerWaalsContact C-N 3.29Å; N196-V198 PolarHBondContact O-N 3.3Å; N196-F199 HydrophobicContact CB-CD2 4.46Å; N196-F199 WeakPolarHBondContact O-CB 3.42Å; N196-F199 PolarHBondContact O-N 2.76Å; N196-C200 PolarHBondContact O-N 2.99Å; N196-A534 WeakPolarHBondContact ND2-CB 3.28Å; N196-A534 PolarHBondContact ND2-O 3.4Å; N196-L541 HydrophobicContact CB-CD1 4.16Å; N196-L541 HydrophobicContact CB-CD2 4.4Å
197	L	97.3	Very high	94.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-39.2	170.2	-69.8	-176.3	0	0	0	111.9	Y121 V128 L141 F170 L171 F193 I194 F199 C200 V201	Y121-L197 HydrophobicContact CD2-CD1 4.26Å; V128-L197 HydrophobicContact CG2-CD2 3.84Å; L141-L197 HydrophobicContact CD1-CD2 4.42Å; L141-L197 HydrophobicContact CD2-CD2 3.67Å; F170-L197 HydrophobicContact CD1-CD1 4.48Å; F170-L197 HydrophobicContact CE1-CD1 4.24Å; L171-L197 HydrophobicContact CD2-CB 4.49Å; F193-L197 HydrophobicContact CD1-CD1 4.16Å; F193-L197 HydrophobicContact CD1-CG 4.25Å; F193-L197 HydrophobicContact CE1-CD1 3.64Å; F193-L197 HydrophobicContact CE1-CD2 4.09Å; F193-L197 HydrophobicContact CE1-CG 3.79Å; F193-L197 HydrophobicContact CZ-CD1 4.39Å; F193-L197 HydrophobicContact CZ-CD2 4.01Å; F193-L197 HydrophobicContact CZ-CG 4.18Å; F193-L197 PolarHBondContact O-N 3.45Å; I194-L197 HydrophobicContact CD1-CD1 4.17Å; I194-L197 WeakPolarHBondContact O-CB 3.35Å; I194-L197 PolarHBondContact O-N 2.89Å; I194-L197 VanDerWaalsContact O-N 3.13Å; L197-F199 VanDerWaalsContact C-N 3.3Å; L197-F199 PolarHBondContact O-N 2.55Å; L197-C200 VanDerWaalsContact O-CB 3.31Å; L197-C200 WeakPolarHBondContact O-CB 3.21Å; L197-C200 PolarHBondContact O-N 2.85Å; L197-V201 PolarHBondContact O-N 3.42Å; L197-V201 VanDerWaalsContact O-N 3.15Å
198	V	97.4	Very high	94.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58	-42.9	174.5	169.2	0	0	0	0	110.9	L171 I194 Q195 N196 C200 V201 E202 L238 I241 I257 V259	L171-V198 HydrophobicContact CD1-CG2 4.17Å; I194-V198 PolarHBondContact O-N 2.88Å; Q195-V198 WeakPolarHBondContact O-CB 3.37Å; Q195-V198 PolarHBondContact O-N 3.35Å; N196-V198 VanDerWaalsContact C-N 3.29Å; N196-V198 PolarHBondContact O-N 3.3Å; V198-C200 PolarHBondContact O-N 3.25Å; V198-V201 PolarHBondContact O-N 3.43Å; V198-V201 VanDerWaalsContact O-N 3.08Å; V198-E202 HydrophobicContact CG1-CG 4.19Å; V198-E202 WeakPolarHBondContact O-CG 3.26Å; V198-E202 PolarHBondContact O-N 3.24Å; V198-L238 HydrophobicContact CG1-CD2 3.89Å; V198-I241 HydrophobicContact CG2-CD1 4.03Å; V198-I241 HydrophobicContact CG2-CG2 4.01Å; V198-I257 HydrophobicContact CG2-CG2 3.9Å; V198-V259 HydrophobicContact CG1-CG2 3.83Å
199	F	95.9	Very high	94.7	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-62.1	-25.8	176.6	-56.6	-35.7	0	0	0	113.8	K132 Q195 N196 L197 L533 R544 R547	K132-F199 HydrophobicContact CD-CB 4.02Å; K132-F199 HydrophobicContact CD-CD2 4.05Å; K132-F199 HydrophobicContact CG-CB 4.15Å; Q195-F199 HydrophobicContact CG-CE1 4.33Å; Q195-F199 HydrophobicContact CG-CE2 4.08Å; Q195-F199 HydrophobicContact CG-CZ 3.7Å; Q195-F199 VanDerWaalsContact NE2-CE1 3.28Å; Q195-F199 WeakPolarHBondContact O-CD2 3.49Å; Q195-F199 WeakPolarHBondContact O-CG 3.46Å; Q195-F199 PolarHBondContact O-N 3.2Å; N196-F199 HydrophobicContact CB-CD2 4.46Å; N196-F199 WeakPolarHBondContact O-CB 3.42Å; N196-F199 PolarHBondContact O-N 2.76Å; L197-F199 VanDerWaalsContact C-N 3.3Å; L197-F199 PolarHBondContact O-N 2.55Å; F199-L533 HydrophobicContact CE1-CD2 4.1Å; F199-L533 HydrophobicContact CZ-CB 4.46Å; F199-L533 HydrophobicContact CZ-CD2 3.74Å; F199-L533 HydrophobicContact CZ-CG 3.98Å; F199-R544 HydrophobicContact CD1-CG 4.15Å; F199-R544 HydrophobicContact CD2-CB 4.45Å; F199-R544 HydrophobicContact CE1-CB 4.04Å; F199-R544 HydrophobicContact CE1-CG 3.81Å; F199-R544 VanDerWaalsContact CE2-CA 3.49Å; F199-R544 HydrophobicContact CE2-CB 3.86Å; F199-R544 HydrophobicContact CE2-CG 4.39Å; F199-R544 HydrophobicContact CZ-CB 3.62Å; F199-R544 HydrophobicContact CZ-CG 3.95Å; F199-R547 PolarHBondContact O-NH1 3.37Å; F199-R547 PolarHBondContact O-NH2 3.28Å
200	C	94.6	Very high	94.7	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.034	4%	0.044	C	C	.	.	H	α-helix	trans	-72.8	-44.5	172.9	-62.8	0	0	0	0	111.2	F131 N196 L197 V198	F131-C200 HydrophobicContact CD1-CB 3.69Å; F131-C200 HydrophobicContact CE1-CB 4Å; N196-C200 PolarHBondContact O-N 2.99Å; L197-C200 VanDerWaalsContact O-CB 3.31Å; L197-C200 WeakPolarHBondContact O-CB 3.21Å; L197-C200 PolarHBondContact O-N 2.85Å; V198-C200 PolarHBondContact O-N 3.25Å
201	V	95.7	Very high	94.6	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	4%	0.043	C	C	.	.	H	α-helix	trans	-76.7	-28.7	-175.9	178.5	0	0	0	0	113	V167 S168 L171 L197 V198 R203 A204 A234 L238	V167-V201 HydrophobicContact CB-CG2 4.28Å; V167-V201 HydrophobicContact CG1-CG2 3.77Å; S168-V201 WeakPolarHBondContact OG-CG1 3.41Å; L171-V201 HydrophobicContact CD1-CG2 4.09Å; L197-V201 PolarHBondContact O-N 3.42Å; L197-V201 VanDerWaalsContact O-N 3.15Å; V198-V201 PolarHBondContact O-N 3.43Å; V198-V201 VanDerWaalsContact O-N 3.08Å; V201-R203 PolarHBondContact O-N 3.17Å; V201-A204 WeakPolarHBondContact O-CB 3.33Å; V201-A204 PolarHBondContact O-N 3.05Å; V201-A234 HydrophobicContact CG1-CB 3.5Å; V201-A234 VanDerWaalsContact CG1-CB 3.5Å; V201-L238 HydrophobicContact CG1-CD2 4.43Å; V201-L238 HydrophobicContact CG1-CG 4.31Å
202	E	93.4	Very high	94.5	Very high	3 Å²	3	8.6 Å²	8.6	1%	0.014	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-30.4	178.2	-84.2	176.3	168.2	0	0	114.1	V198 L238 D260 A263 N267 R547	V198-E202 HydrophobicContact CG1-CG 4.19Å; V198-E202 WeakPolarHBondContact O-CG 3.26Å; V198-E202 PolarHBondContact O-N 3.24Å; E202-L238 HydrophobicContact CG-CD2 3.92Å; E202-D260 WeakPolarHBondContact OE1-CB 3.46Å; E202-D260 PolarHBondContact OE1-N 2.93Å; E202-A263 HydrophobicContact CB-CB 4.13Å; E202-A263 HydrophobicContact CG-CB 4.39Å; E202-N267 PolarHBondContact O-ND2 3.27Å; E202-R547 IonicContact OE2-NH1 3.36Å; E202-R547 PolarHBondContact OE2-NH1 3.09Å
203	R	89.1	Confident	94.4	Very high	45 Å²	45	9.2 Å²	9.2	17%	0.17	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	10.3	-177.9	-61.3	-163.8	-60.8	-163	0.3	114.4	F131 K132 V201 Y205 R206 V207	F131-R203 PolarHBondContact O-NH2 2.91Å; K132-R203 PolarHBondContact O-NH2 3.48Å; V201-R203 PolarHBondContact O-N 3.17Å; R203-Y205 PolarHBondContact O-N 3.47Å; R203-R206 HydrophobicContact CB-CG 4.23Å; R203-R206 VanDerWaalsContact O-CG 3.27Å; R203-R206 WeakPolarHBondContact O-CG 3.44Å; R203-R206 PolarHBondContact O-N 3.46Å; R203-V207 HydrophobicContact CB-CG2 4.12Å; R203-V207 WeakPolarHBondContact O-CG2 3.09Å; R203-V207 PolarHBondContact O-N 3.45Å
204	A	93.2	Very high	94.2	Very high	3 Å²	3	10.8 Å²	10.8	3%	0.025	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-50.7	-36.2	-176.9	0	0	0	0	0	113.6	I164 V201 R206 V207 L226 A234 N267	I164-A204 HydrophobicContact CG2-CB 3.73Å; V201-A204 WeakPolarHBondContact O-CB 3.33Å; V201-A204 PolarHBondContact O-N 3.05Å; A204-R206 PolarHBondContact O-N 3.39Å; A204-V207 PolarHBondContact O-N 2.82Å; A204-V207 VanDerWaalsContact O-N 3.11Å; A204-L226 VanDerWaalsContact O-CD1 3.3Å; A204-L226 WeakPolarHBondContact O-CD1 3.49Å; A204-A234 HydrophobicContact CB-CB 3.38Å; A204-N267 WeakPolarHBondContact CB-OD1 3.48Å
205	Y	90.6	Very high	93.9	Very high	10 Å²	10	12.2 Å²	12.2	4%	0.039	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-54.1	-14.8	175.5	73.6	-90	0	0	0	115.7	R203 R266 N267 T792	R203-Y205 PolarHBondContact O-N 3.47Å; Y205-R266 HydrophobicContact CD1-CB 3.93Å; Y205-R266 HydrophobicContact CD2-CB 4.01Å; Y205-R266 HydrophobicContact CE1-CB 4.04Å; Y205-R266 HydrophobicContact CE2-CB 4.13Å; Y205-R266 HydrophobicContact CG-CB 3.92Å; Y205-R266 VanDerWaalsContact CZ-CD 3.45Å; Y205-R266 WeakPolarHBondContact OH-CD 3.47Å; Y205-R266 PolarHBondContact OH-NH1 3.33Å; Y205-N267 WeakPolarHBondContact CB-OD1 3.46Å; Y205-N267 PolarHBondContact N-OD1 2.79Å; Y205-T792 HydrophobicContact CD2-CG2 4.07Å; Y205-T792 WeakPolarHBondContact O-CG2 3.21Å
206	R	89.2	Confident	93.6	Very high	32 Å²	32	12.1 Å²	12.1	12%	0.121	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-137.5	18.6	-179.9	64.1	175.3	-70.4	177.4	1.3	113.5	R203 A204 T792 P816 L817	R203-R206 HydrophobicContact CB-CG 4.23Å; R203-R206 VanDerWaalsContact O-CG 3.27Å; R203-R206 WeakPolarHBondContact O-CG 3.44Å; R203-R206 PolarHBondContact O-N 3.46Å; A204-R206 PolarHBondContact O-N 3.39Å; R206-T792 HydrophobicContact CB-CG2 3.98Å; R206-P816 HydrophobicContact CB-CB 3.76Å; R206-P816 HydrophobicContact CB-CG 4.24Å; R206-P816 WeakPolarHBondContact O-CB 3.13Å; R206-L817 PolarHBondContact NH2-O 2.8Å
207	V	91	Very high	93.3	Very high	6 Å²	6	12.2 Å²	12.2	4%	0.036	5%	0.054	C	C	.	.			trans	-117.7	98.6	178.9	176.4	0	0	0	0	108.3	F131 P135 I164 R203 A204	F131-V207 HydrophobicContact CZ-CG1 4.12Å; P135-V207 HydrophobicContact CB-CG1 4.14Å; P135-V207 HydrophobicContact CB-CG2 3.79Å; P135-V207 HydrophobicContact CG-CG2 3.91Å; I164-V207 HydrophobicContact CD1-CG1 4.34Å; I164-V207 HydrophobicContact CG1-CG1 4.32Å; R203-V207 HydrophobicContact CB-CG2 4.12Å; R203-V207 WeakPolarHBondContact O-CG2 3.09Å; R203-V207 PolarHBondContact O-N 3.45Å; A204-V207 PolarHBondContact O-N 2.82Å; A204-V207 VanDerWaalsContact O-N 3.11Å
208	P	92.4	Very high	93	Very high	18 Å²	18	12.6 Å²	12.6	12%	0.117	6%	0.056	C	C	.	.			trans	-59.4	137	169.5	-23.9	35.8	0	0	0	111	L162 E225 N815	L162-P208 WeakPolarHBondContact CD2-O 3.43Å; P208-E225 CarbonylContact C-O 3.53Å; P208-E225 VanDerWaalsContact CA-O 3.24Å; P208-E225 WeakPolarHBondContact CA-O 3.33Å; P208-N815 HydrophobicContact CG-CB 4.41Å
209	D	94.7	Very high	92.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-133.3	-174.3	-179.6	79	-3.7	0	0	0	111.5	L162 I164 G211 T224 E225 H227 S230	L162-D209 HydrophobicContact CD2-CB 4.47Å; L162-D209 HydrophobicContact CG-CB 3.87Å; L162-D209 WeakPolarHBondContact O-CB 3.38Å; I164-D209 WeakPolarHBondContact CB-OD2 3.47Å; I164-D209 HydrophobicContact CG1-CB 4.19Å; I164-D209 PolarHBondContact N-OD2 2.98Å; D209-G211 VanDerWaalsContact C-N 3.3Å; D209-G211 WeakPolarHBondContact OD1-CA 3.29Å; D209-G211 PolarHBondContact OD1-N 3.44Å; D209-T224 VanDerWaalsContact O-CA 3.28Å; D209-T224 WeakPolarHBondContact O-CA 3.45Å; D209-T224 WeakPolarHBondContact O-CB 3.48Å; D209-E225 PolarHBondContact N-O 3.16Å; D209-E225 PolarHBondContact O-N 3.39Å; D209-H227 PolarHBondContact O-CD2 2.89Å; D209-H227 IonicContact OD1-CD2 3.06Å; D209-H227 PolarHBondContact OD1-CD2 3.24Å; D209-H227 IonicContact OD1-CG 2.68Å; D209-S230 PolarHBondContact OD1-OG 2.73Å; D209-S230 VanDerWaalsContact OD2-CB 3.25Å; D209-S230 WeakPolarHBondContact OD2-CB 3.48Å; D209-S230 PolarHBondContact OD2-OG 2.76Å
210	Y	95.4	Very high	92.3	Very high	24 Å²	24	15 Å²	15	9%	0.094	7%	0.066	C	C	.	.			trans	-89.3	4.3	178.8	-70.3	-71.3	0	0	0	114	P137 H160 L162 E214 R215 G216 G222 T224	P137-Y210 HydrophobicContact CB-CE2 4.22Å; P137-Y210 HydrophobicContact CG-CE2 4.44Å; H160-Y210 HydrophobicContact CB-CD1 3.89Å; H160-Y210 HydrophobicContact CB-CD2 3.48Å; H160-Y210 VanDerWaalsContact CB-CD2 3.48Å; H160-Y210 HydrophobicContact CB-CE1 4.27Å; H160-Y210 HydrophobicContact CB-CE2 3.88Å; H160-Y210 HydrophobicContact CB-CG 3.48Å; H160-Y210 VanDerWaalsContact CB-CG 3.48Å; H160-Y210 AromaticContact CD2-CD1 3.74Å; H160-Y210 AromaticContact CD2-CE1 3.28Å; H160-Y210 WeakPolarHBondContact CD2-CE1 3.49Å; H160-Y210 AromaticContact CD2-CE2 3.71Å; H160-Y210 AromaticContact CD2-CZ 3.26Å; H160-Y210 AromaticContact CG-CD1 3.63Å; H160-Y210 AromaticContact CG-CD2 3.99Å; H160-Y210 AromaticContact CG-CE1 3.69Å; H160-Y210 AromaticContact CG-CG 3.8Å; H160-Y210 AromaticContact CG-CZ 3.9Å; H160-Y210 AromaticContact NE2-CE1 3.69Å; L162-Y210 HydrophobicContact CB-CD2 3.98Å; L162-Y210 HydrophobicContact CB-CE2 4.27Å; L162-Y210 PolarHBondContact O-N 3.46Å; Y210-E214 PolarHBondContact O-N 3.26Å; Y210-R215 PolarHBondContact O-N 2.96Å; Y210-G216 PolarHBondContact O-N 3.2Å; Y210-G222 WeakPolarHBondContact CE1-O 3.18Å; Y210-G222 PolarHBondContact OH-O 3.43Å; Y210-T224 HydrophobicContact CD1-CG2 4Å; Y210-T224 HydrophobicContact CD2-CG2 4.06Å; Y210-T224 HydrophobicContact CE1-CG2 3.73Å; Y210-T224 HydrophobicContact CE2-CG2 3.82Å; Y210-T224 HydrophobicContact CG-CG2 4.14Å
211	G	93.6	Very high	92.1	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.021	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-177.2	-176.6	0	0	0	0	0	114.5	Q163 D209 W213 E214 H227	Q163-G211 PolarHBondContact NE2-O 3.02Å; D209-G211 VanDerWaalsContact C-N 3.3Å; D209-G211 WeakPolarHBondContact OD1-CA 3.29Å; D209-G211 PolarHBondContact OD1-N 3.44Å; G211-W213 PolarHBondContact O-N 2.84Å; G211-W213 VanDerWaalsContact O-N 3.14Å; G211-E214 PolarHBondContact O-N 3.24Å; G211-H227 PolarHBondContact N-CD2 3.41Å
212	M	93.9	Very high	91.8	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.03	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.6	-178.4	-161.7	174.1	71.7	0	0	112.8	R77 A287 P290 W435	R77-M212 VanDerWaalsContact CZ-CG 3.44Å; R77-M212 PolarHBondContact NH1-O 2.94Å; R77-M212 PolarHBondContact NH2-O 3.35Å; M212-A287 HydrophobicContact CB-CB 4.12Å; M212-A287 HydrophobicContact CE-CB 3.53Å; M212-A287 HydrophobicContact SD-CB 4.17Å; M212-P290 HydrophobicContact SD-CG 4.18Å; M212-W435 HydrophobicContact CE-CH2 4.04Å; M212-W435 HydrophobicContact CG-CH2 4.19Å; M212-W435 HydrophobicContact SD-CH2 3.83Å; M212-W435 HydrophobicContact SD-CZ2 4.33Å
213	W	94.4	Very high	91.6	Very high	33 Å²	33	21.8 Å²	21.8	13%	0.125	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.3	-175.4	-53.9	131	0	0	0	115.4	G211 R215 D285 R324 F325 F360 W435	G211-W213 PolarHBondContact O-N 2.84Å; G211-W213 VanDerWaalsContact O-N 3.14Å; W213-R215 VanDerWaalsContact C-N 3.26Å; W213-R215 PolarHBondContact O-N 2.97Å; W213-D285 PolarHBondContact NE1-OD1 3.28Å; W213-D285 PolarHBondContact NE1-OD2 2.97Å; W213-R324 HydrophobicContact CH2-CG 4.06Å; W213-R324 HydrophobicContact CZ2-CB 3.97Å; W213-R324 HydrophobicContact CZ2-CG 3.77Å; W213-F325 AromaticContact CD1-CD1 3.99Å; W213-F325 AromaticContact CD1-CE1 3.92Å; W213-F360 HydrophobicContact CH2-CE2 4.31Å; W213-F360 AromaticContact CH2-CZ 3.69Å; W213-F360 HydrophobicContact CH2-CZ 3.69Å; W213-F360 HydrophobicContact CZ2-CE2 4.43Å; W213-F360 AromaticContact CZ2-CZ 3.79Å; W213-F360 HydrophobicContact CZ2-CZ 3.79Å; W213-W435 HydrophobicContact CZ3-CH2 4.47Å; W213-W435 HydrophobicContact CZ3-CZ3 4.38Å
214	E	93.1	Very high	91.8	Very high	33 Å²	33	21.1 Å²	21.1	15%	0.154	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	32.1	175.8	-54.8	150.5	-156.2	0	0	113.1	K75 Y159 H160 Y210 G211	K75-E214 IonicContact NZ-OE1 2.69Å; K75-E214 PolarHBondContact NZ-OE1 3.02Å; K75-E214 IonicContact NZ-OE2 3.14Å; K75-E214 PolarHBondContact NZ-OE2 3.23Å; Y159-E214 PolarHBondContact OH-OE1 2.94Å; Y159-E214 PolarHBondContact OH-OE2 3.04Å; H160-E214 HydrophobicContact CB-CB 4.45Å; H160-E214 PolarHBondContact ND1-O 3.42Å; Y210-E214 PolarHBondContact O-N 3.26Å; G211-E214 PolarHBondContact O-N 3.24Å
215	R	91.7	Very high	91.7	Very high	29 Å²	29	21.6 Å²	21.6	11%	0.109	11%	0.112	C	C	.	.			trans	-125.2	-20.6	-174.9	-74.3	177.7	169.4	-121.5	1.1	113.5	Y210 W213 S217 N220 E335 Y342	Y210-R215 PolarHBondContact O-N 2.96Å; W213-R215 VanDerWaalsContact C-N 3.26Å; W213-R215 PolarHBondContact O-N 2.97Å; R215-S217 PolarHBondContact O-N 3.09Å; R215-N220 HydrophobicContact CB-CB 4.38Å; R215-N220 HydrophobicContact CG-CB 4.4Å; R215-N220 PolarHBondContact NH1-ND2 2.75Å; R215-N220 VanDerWaalsContact NH1-ND2 3.17Å; R215-E335 IonicContact CZ-OE1 2.81Å; R215-E335 IonicContact NH1-OE1 3.54Å; R215-E335 IonicContact NH2-OE1 2.7Å; R215-E335 PolarHBondContact NH2-OE1 3.19Å; R215-Y342 PolarHBondContact NH1-OH 3.43Å
216	G	92	Very high	91.8	Very high	2 Å²	2	22 Å²	22	2%	0.021	12%	0.115	C	C	.	.			trans	66.2	-109.9	-175	0	0	0	0	0	110.1	Y210 S223 H227 H282	Y210-G216 PolarHBondContact O-N 3.2Å; G216-S223 CarbonylContact C-O 3.53Å; G216-S223 VanDerWaalsContact CA-O 3.29Å; G216-S223 WeakPolarHBondContact CA-O 3.2Å; G216-H227 PolarHBondContact O-CE1 3.14Å; G216-H227 PolarHBondContact O-NE2 3.23Å; G216-H282 PolarHBondContact O-CE1 3.49Å
217	S	91.1	Very high	92	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	11%	0.111	C	C	.	.	S	Bend	trans	-67.7	155.6	176.5	76.1	0	0	0	0	113.7	R215 Y219 N220 N221 S223 E225	R215-S217 PolarHBondContact O-N 3.09Å; S217-Y219 PolarHBondContact O-N 3.14Å; S217-N220 PolarHBondContact O-N 3.22Å; S217-N221 PolarHBondContact OG-OD1 2.6Å; S217-S223 VanDerWaalsContact CB-OG 3.23Å; S217-S223 WeakPolarHBondContact CB-OG 3.42Å; S217-S223 PolarHBondContact N-O 3.05Å; S217-S223 PolarHBondContact OG-OG 2.93Å; S217-E225 WeakPolarHBondContact CB-OE1 3.36Å
218	K	90	Very high	92.2	Very high	9 Å²	9	20.6 Å²	20.6	4%	0.039	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.8	177.6	-174.8	-172.5	175.1	-156.3	0	112.2	N220 S281 H282 F325 L326 M347 E968	K218-N220 PolarHBondContact O-N 2.94Å; K218-S281 WeakPolarHBondContact CB-OG 3.47Å; K218-S281 WeakPolarHBondContact CD-O 3.21Å; K218-S281 PolarHBondContact N-OG 2.96Å; K218-H282 VanDerWaalsContact CA-CE1 3.44Å; K218-H282 WeakPolarHBondContact CA-CE1 3.41Å; K218-H282 PolarHBondContact N-CE1 2.92Å; K218-F325 HydrophobicContact CG-CD2 4.07Å; K218-F325 HydrophobicContact CG-CE2 3.88Å; K218-L326 WeakPolarHBondContact CE-O 3.25Å; K218-M347 HydrophobicContact CD-CE 3.55Å; K218-M347 HydrophobicContact CG-CE 3.63Å; K218-M347 HydrophobicContact CG-SD 4.27Å; K218-E968 IonicContact NZ-OE2 2.81Å; K218-E968 PolarHBondContact NZ-OE2 3.11Å
219	Y	89.2	Confident	92.5	Very high	48 Å²	48	19.9 Å²	19.9	19%	0.188	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.5	177.1	-47.6	-75	0	0	0	113	S217 N221 Y342 M347 E968 N970	S217-Y219 PolarHBondContact O-N 3.14Å; Y219-N221 PolarHBondContact O-N 3.26Å; Y219-Y342 WeakPolarHBondContact O-CB 3.11Å; Y219-Y342 WeakPolarHBondContact O-CD2 3.12Å; Y219-M347 HydrophobicContact CD1-CE 4.28Å; Y219-M347 HydrophobicContact CD1-SD 3.44Å; Y219-M347 WeakPolarHBondContact CD1-SD 3.46Å; Y219-M347 HydrophobicContact CE1-CE 4.33Å; Y219-M347 HydrophobicContact CE1-SD 4.06Å; Y219-M347 HydrophobicContact CG-SD 4.18Å; Y219-E968 PolarHBondContact OH-OE1 3.4Å; Y219-N970 VanDerWaalsContact CE2-ND2 3.27Å; Y219-N970 WeakPolarHBondContact CE2-ND2 3.48Å; Y219-N970 WeakPolarHBondContact OH-CB 3.17Å; Y219-N970 PolarHBondContact OH-ND2 3.1Å
220	N	90.6	Very high	92.6	Very high	5 Å²	5	20 Å²	20	3%	0.027	11%	0.106	C	C	.	.			trans	45.4	62.7	-178.6	-179.7	35	0	0	0	110.5	R215 S217 K218 R340 Y341 Y342	R215-N220 HydrophobicContact CB-CB 4.38Å; R215-N220 HydrophobicContact CG-CB 4.4Å; R215-N220 PolarHBondContact NH1-ND2 2.75Å; R215-N220 VanDerWaalsContact NH1-ND2 3.17Å; S217-N220 PolarHBondContact O-N 3.22Å; K218-N220 PolarHBondContact O-N 2.94Å; N220-R340 PolarHBondContact ND2-O 3Å; N220-Y341 CarbonylContact O-C 3.6Å; N220-Y341 WeakPolarHBondContact O-CA 3.43Å; N220-Y341 VanDerWaalsContact O-CB 3.24Å; N220-Y341 WeakPolarHBondContact O-CB 3.41Å; N220-Y341 WeakPolarHBondContact O-CD1 3.26Å; N220-Y342 HydrophobicContact CB-CD2 3.87Å; N220-Y342 HydrophobicContact CB-CE2 4.03Å; N220-Y342 HydrophobicContact CB-CG 4.28Å; N220-Y342 PolarHBondContact O-N 2.73Å; N220-Y342 VanDerWaalsContact O-N 3.16Å
221	N	90	Very high	92.7	Very high	84 Å²	84	18.9 Å²	18.9	45%	0.449	10%	0.102	S	C	.	.	S	Bend	trans	-118.9	12.8	-177.1	63.6	2.2	0	0	0	112.3	S217 Y219 S223	S217-N221 PolarHBondContact OG-OD1 2.6Å; Y219-N221 PolarHBondContact O-N 3.26Å; N221-S223 WeakPolarHBondContact OD1-CB 3.38Å; N221-S223 PolarHBondContact OD1-N 3.34Å; N221-S223 PolarHBondContact OD1-OG 3.48Å
222	G	88.9	Confident	92.8	Very high	19 Å²	19	18.8 Å²	18.8	20%	0.196	10%	0.101	C	C	.	.	S	Bend	trans	87.7	-0.2	-179.7	0	0	0	0	0	114.9	Y210 Y341	Y210-G222 WeakPolarHBondContact CE1-O 3.18Å; Y210-G222 PolarHBondContact OH-O 3.43Å; G222-Y341 VanDerWaalsContact N-CE1 3.31Å
223	S	90.2	Very high	93	Very high	47 Å²	47	18.7 Å²	18.7	33%	0.329	10%	0.1	S	C	.	.			trans	-81.8	138.9	174.8	70.9	0	0	0	0	112.6	G216 S217 N221	G216-S223 CarbonylContact C-O 3.53Å; G216-S223 VanDerWaalsContact CA-O 3.29Å; G216-S223 WeakPolarHBondContact CA-O 3.2Å; S217-S223 VanDerWaalsContact CB-OG 3.23Å; S217-S223 WeakPolarHBondContact CB-OG 3.42Å; S217-S223 PolarHBondContact N-O 3.05Å; S217-S223 PolarHBondContact OG-OG 2.93Å; N221-S223 WeakPolarHBondContact OD1-CB 3.38Å; N221-S223 PolarHBondContact OD1-N 3.34Å; N221-S223 PolarHBondContact OD1-OG 3.48Å
224	T	92.3	Very high	93.2	Very high	31 Å²	31	17.1 Å²	17.1	19%	0.19	9%	0.094	C	C	.	.			trans	-86.6	149.4	173.2	52.5	0	0	0	0	111.4	P137 D209 Y210	P137-T224 HydrophobicContact CG-CG2 4.2Å; D209-T224 VanDerWaalsContact O-CA 3.28Å; D209-T224 WeakPolarHBondContact O-CA 3.45Å; D209-T224 WeakPolarHBondContact O-CB 3.48Å; Y210-T224 HydrophobicContact CD1-CG2 4Å; Y210-T224 HydrophobicContact CD2-CG2 4.06Å; Y210-T224 HydrophobicContact CE1-CG2 3.73Å; Y210-T224 HydrophobicContact CE2-CG2 3.82Å; Y210-T224 HydrophobicContact CG-CG2 4.14Å
225	E	91.3	Very high	93.3	Very high	13 Å²	13	15.6 Å²	15.6	6%	0.061	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-131.5	162.1	174.5	-65.4	-169.9	167.1	0	0	111.1	P208 D209 S217 H227 S279 R280 S281 H282	P208-E225 CarbonylContact C-O 3.53Å; P208-E225 VanDerWaalsContact CA-O 3.24Å; P208-E225 WeakPolarHBondContact CA-O 3.33Å; D209-E225 PolarHBondContact N-O 3.16Å; D209-E225 PolarHBondContact O-N 3.39Å; S217-E225 WeakPolarHBondContact CB-OE1 3.36Å; E225-H227 PolarHBondContact O-CD2 3.18Å; E225-H227 PolarHBondContact O-N 2.94Å; E225-S279 WeakPolarHBondContact OE2-CB 3.36Å; E225-S279 PolarHBondContact OE2-OG 3.06Å; E225-R280 PolarHBondContact OE2-N 2.61Å; E225-S281 VanDerWaalsContact OE1-CB 3.28Å; E225-S281 WeakPolarHBondContact OE1-CB 3.39Å; E225-S281 PolarHBondContact OE1-OG 3.1Å; E225-S281 PolarHBondContact OE2-N 3.2Å; E225-S281 PolarHBondContact OE2-OG 3.26Å; E225-H282 IonicContact OE2-ND1 3.08Å
226	L	92	Very high	93.4	Very high	20 Å²	20	14.2 Å²	14.2	11%	0.105	8%	0.082	C	C	.	.			trans	-79.1	106.6	172.4	-169.9	68.3	0	0	0	109	A204 V231 T270 L274 S279 V796	A204-L226 VanDerWaalsContact O-CD1 3.3Å; A204-L226 WeakPolarHBondContact O-CD1 3.49Å; L226-V231 HydrophobicContact CD1-CG2 3.94Å; L226-V231 HydrophobicContact CG-CG2 4.28Å; L226-T270 HydrophobicContact CD2-CG2 3.99Å; L226-L274 HydrophobicContact CD2-CD1 4.09Å; L226-L274 HydrophobicContact CG-CD1 4.18Å; L226-S279 WeakPolarHBondContact O-CB 3.39Å; L226-V796 HydrophobicContact CD2-CG2 3.86Å
227	H	94.6	Very high	93.7	Very high	8 Å²	8	14.1 Å²	14.1	4%	0.037	8%	0.081	C	C	.	.			trans	-92.7	123.5	-175.9	-76.3	-82.3	0	0	0	111.9	D209 G211 G216 E225 S229 S230 V231 E278	D209-H227 PolarHBondContact O-CD2 2.89Å; D209-H227 IonicContact OD1-CD2 3.06Å; D209-H227 PolarHBondContact OD1-CD2 3.24Å; D209-H227 IonicContact OD1-CG 2.68Å; G211-H227 PolarHBondContact N-CD2 3.41Å; G216-H227 PolarHBondContact O-CE1 3.14Å; G216-H227 PolarHBondContact O-NE2 3.23Å; E225-H227 PolarHBondContact O-CD2 3.18Å; E225-H227 PolarHBondContact O-N 2.94Å; H227-S229 PolarHBondContact O-N 3.15Å; H227-S230 PolarHBondContact O-N 3.1Å; H227-V231 WeakPolarHBondContact O-CG2 3.02Å; H227-V231 PolarHBondContact O-N 2.74Å; H227-E278 VanDerWaalsContact CB-OE1 3.29Å; H227-E278 WeakPolarHBondContact CB-OE1 3.49Å; H227-E278 IonicContact CG-OE1 3.2Å; H227-E278 IonicContact ND1-OE1 2.8Å; H227-E278 PolarHBondContact ND1-OE1 3Å
228	S	95.8	Very high	93.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.6	-39.4	174.3	-67.3	0	0	0	0	111.7	V231 G232 L271 L274 R277 E278	S228-V231 PolarHBondContact O-N 3.2Å; S228-G232 PolarHBondContact O-N 3.04Å; S228-L271 WeakPolarHBondContact O-CD1 3.37Å; S228-L274 WeakPolarHBondContact OG-CB 3.45Å; S228-R277 WeakPolarHBondContact CB-O 3.45Å; S228-R277 PolarHBondContact OG-O 3.32Å; S228-E278 PolarHBondContact N-O 3.05Å; S228-E278 PolarHBondContact OG-O 3.23Å
229	S	96.9	Very high	93.9	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-59.9	-46.9	176.5	59.5	0	0	0	0	112.9	H227 G232 L233 E278 T291	H227-S229 PolarHBondContact O-N 3.15Å; S229-G232 PolarHBondContact O-N 2.69Å; S229-L233 PolarHBondContact O-N 2.46Å; S229-E278 WeakPolarHBondContact CB-OE1 3.44Å; S229-E278 PolarHBondContact N-OE1 3.49Å; S229-E278 PolarHBondContact N-OE2 3.39Å; S229-E278 VanDerWaalsContact N-OE2 3.15Å; S229-E278 PolarHBondContact OG-OE1 2.9Å; S229-T291 VanDerWaalsContact CA-OG1 3.28Å; S229-T291 WeakPolarHBondContact CA-OG1 3.36Å
230	S	97.3	Very high	94	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.028	8%	0.075	C	C	.	.	H	α-helix	trans	-64.7	-45.5	176	-60.6	0	0	0	0	112.9	D209 H227 G232 A234	D209-S230 PolarHBondContact OD1-OG 2.73Å; D209-S230 VanDerWaalsContact OD2-CB 3.25Å; D209-S230 WeakPolarHBondContact OD2-CB 3.48Å; D209-S230 PolarHBondContact OD2-OG 2.76Å; H227-S230 PolarHBondContact O-N 3.1Å; S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact O-N 3.04Å; S230-A234 WeakPolarHBondContact O-CB 3.43Å; S230-A234 PolarHBondContact O-N 2.71Å
231	V	97	Very high	94.1	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-64.1	-39.4	178	177.2	0	0	0	0	111.1	L226 H227 S228 A234 K235 N267 T270 L271	L226-V231 HydrophobicContact CD1-CG2 3.94Å; L226-V231 HydrophobicContact CG-CG2 4.28Å; H227-V231 WeakPolarHBondContact O-CG2 3.02Å; H227-V231 PolarHBondContact O-N 2.74Å; S228-V231 PolarHBondContact O-N 3.2Å; V231-A234 PolarHBondContact O-N 3.21Å; V231-K235 WeakPolarHBondContact O-CB 3.44Å; V231-K235 PolarHBondContact O-N 3.35Å; V231-N267 HydrophobicContact CG1-CB 4.24Å; V231-N267 WeakPolarHBondContact CG1-O 3.46Å; V231-T270 HydrophobicContact CG1-CG2 4.15Å; V231-T270 HydrophobicContact CG2-CG2 4.42Å; V231-L271 HydrophobicContact CG1-CB 4.24Å
232	G	96.8	Very high	94.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69.7	-41.9	180	0	0	0	0	0	113.2	S228 S229 S230 K235 A236 A298	S228-G232 PolarHBondContact O-N 3.04Å; S229-G232 PolarHBondContact O-N 2.69Å; S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact O-N 3.04Å; G232-K235 PolarHBondContact O-N 3.02Å; G232-A236 WeakPolarHBondContact O-CB 3.43Å; G232-A236 PolarHBondContact O-N 2.87Å; G232-A298 VanDerWaalsContact O-CB 3.3Å; G232-A298 WeakPolarHBondContact O-CB 3.42Å
233	L	97.6	Very high	94	Very high	4 Å²	4	8.5 Å²	8.5	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-63.6	-40.8	171.6	-92	168.2	0	0	0	112	D165 L169 L172 S229 A236 A237 A296	D165-L233 HydrophobicContact CB-CD1 3.8Å; L169-L233 HydrophobicContact CB-CD2 4.45Å; L169-L233 HydrophobicContact CD1-CD2 4.05Å; L172-L233 HydrophobicContact CD2-CD2 4.4Å; S229-L233 PolarHBondContact O-N 2.46Å; L233-A236 WeakPolarHBondContact O-CB 3.28Å; L233-A236 PolarHBondContact O-N 3.45Å; L233-A237 WeakPolarHBondContact O-CB 3.25Å; L233-A237 PolarHBondContact O-N 3.21Å; L233-A296 HydrophobicContact CD2-CB 3.51Å; L233-A296 HydrophobicContact CG-CB 3.98Å
234	A	97.8	Very high	94.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60	-47.4	173.7	0	0	0	0	0	111.8	I164 S168 V201 A204 S230 V231 A236 A237 L238	I164-A234 HydrophobicContact CG2-CB 4.21Å; S168-A234 VanDerWaalsContact OG-CA 3.3Å; S168-A234 WeakPolarHBondContact OG-CA 3.42Å; V201-A234 HydrophobicContact CG1-CB 3.5Å; V201-A234 VanDerWaalsContact CG1-CB 3.5Å; A204-A234 HydrophobicContact CB-CB 3.38Å; S230-A234 WeakPolarHBondContact O-CB 3.43Å; S230-A234 PolarHBondContact O-N 2.71Å; V231-A234 PolarHBondContact O-N 3.21Å; A234-A236 VanDerWaalsContact C-N 3.31Å; A234-A236 PolarHBondContact O-N 3.18Å; A234-A237 PolarHBondContact O-N 3.25Å; A234-L238 WeakPolarHBondContact O-CB 3.32Å; A234-L238 WeakPolarHBondContact O-CG 3.46Å; A234-L238 PolarHBondContact O-N 2.99Å
235	K	95.7	Very high	94.1	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-55.4	-47.5	174.3	177.3	-87.5	-171	-177.1	0	111	V231 G232 E239 N267 R268 A298 D300	V231-K235 WeakPolarHBondContact O-CB 3.44Å; V231-K235 PolarHBondContact O-N 3.35Å; G232-K235 PolarHBondContact O-N 3.02Å; K235-E239 WeakPolarHBondContact CE-OE2 3.47Å; K235-E239 IonicContact NZ-OE2 2.88Å; K235-E239 PolarHBondContact NZ-OE2 3.38Å; K235-E239 WeakPolarHBondContact O-CB 3.33Å; K235-E239 PolarHBondContact O-N 2.79Å; K235-N267 HydrophobicContact CB-CB 4.19Å; K235-R268 VanDerWaalsContact CE-NH1 3.32Å; K235-R268 HydrophobicContact CG-CB 4.4Å; K235-A298 HydrophobicContact CD-CB 4.34Å; K235-A298 VanDerWaalsContact CE-O 3.22Å; K235-A298 WeakPolarHBondContact CE-O 3.32Å; K235-A298 PolarHBondContact NZ-O 3.34Å; K235-D300 IonicContact NZ-OD1 2.63Å; K235-D300 PolarHBondContact NZ-OD1 3.16Å
236	A	95.1	Very high	94.2	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61.1	-46	179.8	0	0	0	0	0	112.4	L172 G232 L233 A234 E239 A240 A296 R461	L172-A236 HydrophobicContact CD2-CB 4.49Å; G232-A236 WeakPolarHBondContact O-CB 3.43Å; G232-A236 PolarHBondContact O-N 2.87Å; L233-A236 WeakPolarHBondContact O-CB 3.28Å; L233-A236 PolarHBondContact O-N 3.45Å; A234-A236 VanDerWaalsContact C-N 3.31Å; A234-A236 PolarHBondContact O-N 3.18Å; A236-E239 PolarHBondContact O-N 2.88Å; A236-A240 WeakPolarHBondContact O-CB 3.48Å; A236-A240 PolarHBondContact O-N 3.08Å; A236-A296 HydrophobicContact CB-CB 4.03Å; A236-A296 WeakPolarHBondContact CB-O 3.3Å; A236-R461 VanDerWaalsContact CB-NH2 3.29Å
237	A	96.9	Very high	94.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.6	-45.7	179	0	0	0	0	0	112.5	S168 L171 L172 L233 A234 E239 A240 I241	S168-A237 VanDerWaalsContact O-CB 3.28Å; S168-A237 WeakPolarHBondContact O-CB 3.18Å; L171-A237 HydrophobicContact CB-CB 4.07Å; L172-A237 HydrophobicContact CB-CB 4.49Å; L233-A237 WeakPolarHBondContact O-CB 3.25Å; L233-A237 PolarHBondContact O-N 3.21Å; A234-A237 PolarHBondContact O-N 3.25Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 2.96Å; A237-A240 PolarHBondContact O-N 3.41Å; A237-I241 WeakPolarHBondContact O-CB 3.48Å; A237-I241 VanDerWaalsContact O-CG2 3.28Å; A237-I241 WeakPolarHBondContact O-CG2 3.18Å; A237-I241 PolarHBondContact O-N 2.94Å
238	L	95.3	Very high	93.8	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-40.1	177	-68.8	173.5	0	0	0	111.5	V198 V201 E202 A234 N242 V259 H264	V198-L238 HydrophobicContact CG1-CD2 3.89Å; V201-L238 HydrophobicContact CG1-CD2 4.43Å; V201-L238 HydrophobicContact CG1-CG 4.31Å; E202-L238 HydrophobicContact CG-CD2 3.92Å; A234-L238 WeakPolarHBondContact O-CB 3.32Å; A234-L238 WeakPolarHBondContact O-CG 3.46Å; A234-L238 PolarHBondContact O-N 2.99Å; L238-N242 VanDerWaalsContact O-CB 3.3Å; L238-N242 WeakPolarHBondContact O-CB 3.49Å; L238-N242 PolarHBondContact O-N 3.44Å; L238-V259 HydrophobicContact CB-CG1 4.07Å; L238-V259 HydrophobicContact CD2-CG1 3.93Å; L238-V259 HydrophobicContact CD2-CG2 4.23Å; L238-V259 HydrophobicContact CG-CG1 4.46Å; L238-H264 HydrophobicContact CB-CB 4.46Å
239	E	90.3	Very high	93.2	Very high	23 Å²	23	11.9 Å²	11.9	11%	0.107	6%	0.064	C	C	.	.	H	α-helix	trans	-66.8	-38.9	174.9	-175.9	175.6	-176.8	0	0	112.4	K235 A236 A237 R268 R465 R474	K235-E239 WeakPolarHBondContact CE-OE2 3.47Å; K235-E239 IonicContact NZ-OE2 2.88Å; K235-E239 PolarHBondContact NZ-OE2 3.38Å; K235-E239 WeakPolarHBondContact O-CB 3.33Å; K235-E239 PolarHBondContact O-N 2.79Å; A236-E239 PolarHBondContact O-N 2.88Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 2.96Å; E239-R268 IonicContact OE2-NH2 3.72Å; E239-R465 IonicContact OE1-CZ 2.8Å; E239-R465 IonicContact OE1-NE 3.9Å; E239-R465 PolarHBondContact OE1-NE 3.46Å; E239-R465 IonicContact OE1-NH2 3.21Å; E239-R465 PolarHBondContact OE1-NH2 2.98Å; E239-R465 IonicContact OE2-NH2 2.71Å; E239-R465 PolarHBondContact OE2-NH2 3.08Å; E239-R474 PolarHBondContact O-NH2 3.33Å
240	A	91.2	Very high	92.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.7	-49.4	179.7	0	0	0	0	0	111.8	L172 V175 A236 A237 I459 R474	L172-A240 HydrophobicContact CD1-CB 3.67Å; V175-A240 HydrophobicContact CB-CB 4.29Å; V175-A240 HydrophobicContact CG1-CB 4.16Å; V175-A240 HydrophobicContact CG2-CB 4.36Å; A236-A240 WeakPolarHBondContact O-CB 3.48Å; A236-A240 PolarHBondContact O-N 3.08Å; A237-A240 PolarHBondContact O-N 3.41Å; A240-I459 HydrophobicContact CB-CD1 3.56Å; A240-R474 PolarHBondContact O-NH2 3.46Å
241	I	93.4	Very high	91.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-83.5	-18.4	-169.8	-154.7	170	0	0	0	114.2	L171 V175 I194 V198 A237 G243 F244 I257 V259	L171-I241 HydrophobicContact CD2-CD1 3.96Å; V175-I241 HydrophobicContact CG2-CB 3.79Å; V175-I241 HydrophobicContact CG2-CD1 4.4Å; V175-I241 HydrophobicContact CG2-CG1 3.77Å; I194-I241 HydrophobicContact CG2-CD1 3.75Å; V198-I241 HydrophobicContact CG2-CD1 4.03Å; V198-I241 HydrophobicContact CG2-CG2 4.01Å; A237-I241 WeakPolarHBondContact O-CB 3.48Å; A237-I241 VanDerWaalsContact O-CG2 3.28Å; A237-I241 WeakPolarHBondContact O-CG2 3.18Å; A237-I241 PolarHBondContact O-N 2.94Å; I241-G243 PolarHBondContact O-N 2.83Å; I241-F244 WeakPolarHBondContact O-CB 3.28Å; I241-F244 PolarHBondContact O-N 2.79Å; I241-I257 HydrophobicContact CD1-CB 4.48Å; I241-I257 HydrophobicContact CD1-CG1 4.26Å; I241-I257 HydrophobicContact CD1-CG2 4.08Å; I241-I257 HydrophobicContact CG1-CB 4.03Å; I241-I257 HydrophobicContact CG1-CG1 4.18Å; I241-I257 HydrophobicContact CG1-CG2 3.85Å; I241-I257 HydrophobicContact CG2-CG2 4.12Å; I241-V259 HydrophobicContact CG2-CG2 3.8Å
242	N	90.5	Very high	90.9	Very high	19 Å²	19	22.1 Å²	22.1	10%	0.102	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	122.9	-179.1	179.8	51.4	0	0	0	112.2	L238 F244 V259	L238-N242 VanDerWaalsContact O-CB 3.3Å; L238-N242 WeakPolarHBondContact O-CB 3.49Å; L238-N242 PolarHBondContact O-N 3.44Å; N242-F244 PolarHBondContact O-N 3.36Å; N242-V259 HydrophobicContact CB-CB 3.82Å; N242-V259 HydrophobicContact CB-CG2 3.76Å; N242-V259 PolarHBondContact OD1-N 3.06Å
243	G	86.8	Confident	90.1	Very high	5 Å²	5	23.2 Å²	23.2	5%	0.052	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	9.1	-178.2	0	0	0	0	0	114	I241 I257 R474 Y475	I241-G243 PolarHBondContact O-N 2.83Å; G243-I257 WeakPolarHBondContact CA-O 3.18Å; G243-I257 PolarHBondContact N-O 3.17Å; G243-R474 WeakPolarHBondContact O-CA 3.31Å; G243-Y475 PolarHBondContact O-N 3.38Å
244	F	90.7	Very high	89.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-82.3	138.3	-179	-172	-102.1	0	0	0	111.2	V175 I178 C179 I241 N242 L246 V256 I257 M473	V175-F244 HydrophobicContact CB-CE1 4.44Å; V175-F244 HydrophobicContact CG1-CD1 4.29Å; V175-F244 HydrophobicContact CG1-CD2 3.85Å; V175-F244 HydrophobicContact CG1-CE1 4.27Å; V175-F244 HydrophobicContact CG1-CE2 3.84Å; V175-F244 HydrophobicContact CG1-CG 4.07Å; V175-F244 HydrophobicContact CG1-CZ 4.05Å; V175-F244 HydrophobicContact CG2-CD1 3.99Å; V175-F244 HydrophobicContact CG2-CE1 4.32Å; V175-F244 HydrophobicContact CG2-CG 4.27Å; I178-F244 HydrophobicContact CB-CE1 3.9Å; I178-F244 HydrophobicContact CB-CZ 3.85Å; I178-F244 HydrophobicContact CD1-CE1 4.28Å; I178-F244 HydrophobicContact CG2-CE1 3.73Å; I178-F244 HydrophobicContact CG2-CZ 3.65Å; C179-F244 HydrophobicContact CB-CE2 4.23Å; C179-F244 HydrophobicContact CB-CZ 4.35Å; I241-F244 WeakPolarHBondContact O-CB 3.28Å; I241-F244 PolarHBondContact O-N 2.79Å; N242-F244 PolarHBondContact O-N 3.36Å; F244-L246 HydrophobicContact CD1-CD2 4.12Å; F244-L246 HydrophobicContact CE1-CD2 4.44Å; F244-V256 WeakPolarHBondContact O-CA 3.45Å; F244-I257 PolarHBondContact O-N 2.98Å; F244-M473 HydrophobicContact CD2-CB 4.31Å; F244-M473 HydrophobicContact CE2-CB 3.88Å; F244-M473 HydrophobicContact CE2-SD 4.24Å; F244-M473 HydrophobicContact CZ-SD 4.22Å
245	N	92.3	Very high	88.9	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.053	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-90.8	115.7	176	-159.9	-44.6	0	0	0	111.7	F247 G248 G251 C252 S255 M473	N245-F247 PolarHBondContact O-N 3.12Å; N245-F247 PolarHBondContact OD1-N 3.2Å; N245-F247 VanDerWaalsContact OD1-N 3.1Å; N245-G248 PolarHBondContact O-N 3.19Å; N245-G251 VanDerWaalsContact ND2-C 3.27Å; N245-G251 WeakPolarHBondContact ND2-CA 3.4Å; N245-G251 WeakPolarHBondContact OD1-CA 3.36Å; N245-C252 PolarHBondContact ND2-N 3.26Å; N245-C252 PolarHBondContact ND2-O 2.59Å; N245-S255 VanDerWaalsContact CG-OG 3.26Å; N245-S255 PolarHBondContact ND2-OG 3.35Å; N245-S255 WeakPolarHBondContact OD1-CB 3.36Å; N245-S255 PolarHBondContact OD1-OG 3.39Å; N245-M473 PolarHBondContact N-O 2.97Å
246	L	93.4	Very high	88.6	Confident	2 Å²	2	30 Å²	30	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.8	-176.5	-68.7	-179.2	0	0	0	114.7	L174 I178 I185 V191 I194 F244 G248 S255 I257	L174-L246 HydrophobicContact CD2-CD2 4.01Å; L174-L246 HydrophobicContact CG-CD2 4.46Å; I178-L246 HydrophobicContact CD1-CD2 4.24Å; I185-L246 HydrophobicContact CB-CB 4.23Å; I185-L246 HydrophobicContact CG1-CB 4.17Å; I185-L246 HydrophobicContact CG1-CD1 4.46Å; I185-L246 HydrophobicContact CG2-CB 4.23Å; V191-L246 HydrophobicContact CB-CD1 4.39Å; V191-L246 HydrophobicContact CG1-CD1 4.33Å; V191-L246 HydrophobicContact CG2-CB 4.28Å; V191-L246 HydrophobicContact CG2-CD1 4.2Å; I194-L246 HydrophobicContact CB-CD1 3.76Å; I194-L246 HydrophobicContact CG1-CD1 4.03Å; I194-L246 HydrophobicContact CG2-CD1 3.73Å; I194-L246 HydrophobicContact CG2-CD2 4.45Å; F244-L246 HydrophobicContact CD1-CD2 4.12Å; F244-L246 HydrophobicContact CE1-CD2 4.44Å; L246-G248 VanDerWaalsContact C-N 3.27Å; L246-S255 PolarHBondContact N-O 3.36Å; L246-I257 HydrophobicContact CD1-CD1 3.64Å; L246-I257 HydrophobicContact CD1-CG1 3.66Å; L246-I257 HydrophobicContact CD2-CG1 4.28Å; L246-I257 HydrophobicContact CG-CD1 4.29Å; L246-I257 HydrophobicContact CG-CG1 3.76Å
247	F	92.9	Very high	88.5	Confident	50 Å²	50	30 Å²	30	22%	0.219	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.4	170.4	-62.1	-31.6	0	0	0	112.5	I185 V191 N245 Q250 S255	I185-F247 HydrophobicContact CG2-CD1 4.31Å; I185-F247 HydrophobicContact CG2-CE1 3.92Å; I185-F247 WeakPolarHBondContact O-CD1 3.36Å; V191-F247 HydrophobicContact CG2-CE1 4.02Å; V191-F247 HydrophobicContact CG2-CZ 3.92Å; N245-F247 PolarHBondContact O-N 3.12Å; N245-F247 PolarHBondContact OD1-N 3.2Å; N245-F247 VanDerWaalsContact OD1-N 3.1Å; F247-Q250 PolarHBondContact O-N 3.07Å; F247-S255 VanDerWaalsContact CD2-CB 3.41Å; F247-S255 WeakPolarHBondContact CD2-OG 3.33Å
248	G	87.1	Confident	88.2	Confident	9 Å²	9	31.3 Å²	31.3	9%	0.093	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	60.3	-139.1	-176.1	0	0	0	0	0	111.9	N245 L246 Q250 G251	N245-G248 PolarHBondContact O-N 3.19Å; L246-G248 VanDerWaalsContact C-N 3.27Å; G248-Q250 PolarHBondContact O-N 2.99Å; G248-Q250 VanDerWaalsContact O-N 3.11Å; G248-G251 PolarHBondContact O-N 3.02Å
249	N	81.5	Confident	88	Confident	120 Å²	120	31.8 Å²	31.8	64%	0.642	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-64	-14.8	-179.2	-67.6	-24.3	0	0	0	114.4	M473	N249-M473 WeakPolarHBondContact OD1-CE 3.22Å; N249-M473 VanDerWaalsContact OD1-CG 3.3Å; N249-M473 WeakPolarHBondContact OD1-CG 3.49Å
250	Q	82.9	Confident	88	Confident	148 Å²	148	31.7 Å²	31.7	69%	0.692	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-94.6	2	-178.6	-62.2	179.1	0.7	0	0	112.9	F247 G248	F247-Q250 PolarHBondContact O-N 3.07Å; G248-Q250 PolarHBondContact O-N 2.99Å; G248-Q250 VanDerWaalsContact O-N 3.11Å
251	G	81	Confident	87.8	Confident	22 Å²	22	32.8 Å²	32.8	23%	0.227	17%	0.171	C	C	.	.			trans	-83.5	169.1	-172.7	0	0	0	0	0	116.3	N245 G248	N245-G251 VanDerWaalsContact ND2-C 3.27Å; N245-G251 WeakPolarHBondContact ND2-CA 3.4Å; N245-G251 WeakPolarHBondContact OD1-CA 3.36Å; G248-G251 PolarHBondContact O-N 3.02Å
252	C	80.2	Confident	87.5	Confident	52 Å²	52	33.1 Å²	33.1	35%	0.351	17%	0.173	S	C	.	.			trans	-124	-179.5	179.4	-64.9	0	0	0	0	110.7	N245 W254 S255	N245-C252 PolarHBondContact ND2-N 3.26Å; N245-C252 PolarHBondContact ND2-O 2.59Å; C252-W254 VanDerWaalsContact C-N 3.26Å; C252-W254 HydrophobicContact CB-CD2 3.84Å; C252-W254 HydrophobicContact CB-CE3 3.81Å; C252-W254 HydrophobicContact CB-CH2 3.46Å; C252-W254 VanDerWaalsContact CB-CH2 3.46Å; C252-W254 HydrophobicContact CB-CZ2 3.47Å; C252-W254 VanDerWaalsContact CB-CZ2 3.47Å; C252-W254 HydrophobicContact CB-CZ3 3.64Å; C252-W254 PolarHBondContact O-N 3.43Å; C252-S255 PolarHBondContact N-OG 3.49Å; C252-S255 PolarHBondContact O-N 2.86Å; C252-S255 VanDerWaalsContact O-N 3.14Å; C252-S255 PolarHBondContact O-OG 3.38Å
253	S	80.1	Confident	87.4	Confident	23 Å²	23	32.4 Å²	32.4	16%	0.161	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.8	-28.5	-176.2	58.1	0	0	0	0	114.3	D661	S253-D661 VanDerWaalsContact CB-OD2 3.3Å; S253-D661 WeakPolarHBondContact CB-OD2 3.45Å; S253-D661 PolarHBondContact OG-OD2 2.94Å
254	W	80.6	Confident	87.5	Confident	136 Å²	136	32.9 Å²	32.9	52%	0.515	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-80.9	-9.5	178.2	60.5	81.5	0	0	0	114.6	C252	C252-W254 VanDerWaalsContact C-N 3.26Å; C252-W254 HydrophobicContact CB-CD2 3.84Å; C252-W254 HydrophobicContact CB-CE3 3.81Å; C252-W254 HydrophobicContact CB-CH2 3.46Å; C252-W254 VanDerWaalsContact CB-CH2 3.46Å; C252-W254 HydrophobicContact CB-CZ2 3.47Å; C252-W254 VanDerWaalsContact CB-CZ2 3.47Å; C252-W254 HydrophobicContact CB-CZ3 3.64Å; C252-W254 PolarHBondContact O-N 3.43Å
255	S	88.3	Confident	87.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-97.6	8.6	174.1	59	0	0	0	0	113.3	N245 L246 F247 C252	N245-S255 VanDerWaalsContact CG-OG 3.26Å; N245-S255 PolarHBondContact ND2-OG 3.35Å; N245-S255 WeakPolarHBondContact OD1-CB 3.36Å; N245-S255 PolarHBondContact OD1-OG 3.39Å; L246-S255 PolarHBondContact N-O 3.36Å; F247-S255 VanDerWaalsContact CD2-CB 3.41Å; F247-S255 WeakPolarHBondContact CD2-OG 3.33Å; C252-S255 PolarHBondContact N-OG 3.49Å; C252-S255 PolarHBondContact O-N 2.86Å; C252-S255 VanDerWaalsContact O-N 3.14Å; C252-S255 PolarHBondContact O-OG 3.38Å
256	V	90	Very high	87.2	Confident	11 Å²	11	36.2 Å²	36.2	7%	0.067	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-85.7	134.3	175.8	178.6	0	0	0	0	110.2	F244 F258 Y475	F244-V256 WeakPolarHBondContact O-CA 3.45Å; V256-F258 HydrophobicContact CB-CE2 4.47Å; V256-F258 HydrophobicContact CG1-CE2 4.49Å; V256-F258 WeakPolarHBondContact O-CD2 3.43Å; V256-F258 WeakPolarHBondContact O-CE2 3.46Å; V256-Y475 HydrophobicContact CG2-CD2 3.62Å; V256-Y475 HydrophobicContact CG2-CE2 4.34Å; V256-Y475 HydrophobicContact CG2-CG 3.95Å
257	I	93.1	Very high	87.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.			trans	-90.2	134.4	175.1	-62.5	-60.9	0	0	0	110.9	V191 I194 Q195 V198 I241 G243 F244 L246	V191-I257 HydrophobicContact CG1-CD1 4.31Å; I194-I257 HydrophobicContact CG2-CD1 4.2Å; I194-I257 HydrophobicContact CG2-CG1 4.44Å; Q195-I257 HydrophobicContact CB-CD1 3.77Å; V198-I257 HydrophobicContact CG2-CG2 3.9Å; I241-I257 HydrophobicContact CD1-CB 4.48Å; I241-I257 HydrophobicContact CD1-CG1 4.26Å; I241-I257 HydrophobicContact CD1-CG2 4.08Å; I241-I257 HydrophobicContact CG1-CB 4.03Å; I241-I257 HydrophobicContact CG1-CG1 4.18Å; I241-I257 HydrophobicContact CG1-CG2 3.85Å; I241-I257 HydrophobicContact CG2-CG2 4.12Å; G243-I257 WeakPolarHBondContact CA-O 3.18Å; G243-I257 PolarHBondContact N-O 3.17Å; F244-I257 PolarHBondContact O-N 2.98Å; L246-I257 HydrophobicContact CD1-CD1 3.64Å; L246-I257 HydrophobicContact CD1-CG1 3.66Å; L246-I257 HydrophobicContact CD2-CG1 4.28Å; L246-I257 HydrophobicContact CG-CD1 4.29Å; L246-I257 HydrophobicContact CG-CG1 3.76Å
258	F	91.2	Very high	87	Confident	27 Å²	27	35.6 Å²	35.6	12%	0.118	18%	0.179	C	C	.	.			trans	-106.1	134.5	177.7	-63.5	-95.7	0	0	0	110.1	Q195 V256 L533 E658 F662	Q195-F258 PolarHBondContact NE2-O 3Å; Q195-F258 PolarHBondContact OE1-O 3.42Å; V256-F258 HydrophobicContact CB-CE2 4.47Å; V256-F258 HydrophobicContact CG1-CE2 4.49Å; V256-F258 WeakPolarHBondContact O-CD2 3.43Å; V256-F258 WeakPolarHBondContact O-CE2 3.46Å; F258-L533 HydrophobicContact CB-CD2 3.86Å; F258-L533 HydrophobicContact CD2-CD1 3.77Å; F258-L533 HydrophobicContact CD2-CD2 4.32Å; F258-L533 HydrophobicContact CE2-CD1 4.27Å; F258-L533 HydrophobicContact CG-CD2 4.33Å; F258-E658 HydrophobicContact CE1-CG 4.28Å; F258-F662 HydrophobicContact CE2-CD1 4.22Å
259	V	91.4	Very high	87	Confident	10 Å²	10	39.3 Å²	39.3	6%	0.061	19%	0.194	C	C	.	.			trans	-119.1	137.6	174.6	172.6	0	0	0	0	109.4	V198 L238 I241 N242 L261 H264	V198-V259 HydrophobicContact CG1-CG2 3.83Å; L238-V259 HydrophobicContact CB-CG1 4.07Å; L238-V259 HydrophobicContact CD2-CG1 3.93Å; L238-V259 HydrophobicContact CD2-CG2 4.23Å; L238-V259 HydrophobicContact CG-CG1 4.46Å; I241-V259 HydrophobicContact CG2-CG2 3.8Å; N242-V259 HydrophobicContact CB-CB 3.82Å; N242-V259 HydrophobicContact CB-CG2 3.76Å; N242-V259 PolarHBondContact OD1-N 3.06Å; V259-L261 PolarHBondContact O-N 3.41Å; V259-H264 HydrophobicContact CG1-CB 4.32Å
260	D	89.8	Confident	87.4	Confident	21 Å²	21	34.1 Å²	34.1	11%	0.112	17%	0.167	C	C	.	.			trans	-65.9	104.9	167	-173.1	-19.6	0	0	0	110.3	E202 D262 A263 H264 R544	E202-D260 WeakPolarHBondContact OE1-CB 3.46Å; E202-D260 PolarHBondContact OE1-N 2.93Å; D260-D262 PolarHBondContact O-N 2.63Å; D260-D262 WeakPolarHBondContact OD1-CB 3.48Å; D260-D262 PolarHBondContact OD1-N 3.1Å; D260-A263 HydrophobicContact CB-CB 3.87Å; D260-A263 WeakPolarHBondContact O-CB 3.33Å; D260-A263 PolarHBondContact O-N 2.98Å; D260-A263 VanDerWaalsContact O-N 3.11Å; D260-A263 PolarHBondContact OD1-N 2.87Å; D260-H264 PolarHBondContact O-N 3.06Å; D260-R544 IonicContact OD2-NH2 2.65Å; D260-R544 PolarHBondContact OD2-NH2 3.44Å
261	L	86.6	Confident	87.9	Confident	24 Å²	24	27.2 Å²	27.2	13%	0.126	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-29.2	-178.6	-68.3	177.8	0	0	0	112.8	V259 N265 I552 M603	V259-L261 PolarHBondContact O-N 3.41Å; L261-N265 PolarHBondContact O-N 3.07Å; L261-N265 PolarHBondContact O-ND2 2.99Å; L261-I552 HydrophobicContact CB-CB 4.43Å; L261-I552 HydrophobicContact CB-CG2 3.84Å; L261-I552 HydrophobicContact CD1-CG2 3.78Å; L261-I552 HydrophobicContact CG-CG2 4.49Å; L261-M603 HydrophobicContact CD1-CE 3.61Å; L261-M603 HydrophobicContact CD1-CG 4.4Å; L261-M603 HydrophobicContact CD1-SD 3.51Å; L261-M603 VanDerWaalsContact CD1-SD 3.51Å
262	D	87	Confident	88.4	Confident	6 Å²	6	29.1 Å²	29.1	3%	0.032	14%	0.144	C	C	.	.	H	α-helix	trans	-69.5	-40.5	174.8	-64.9	-95.5	0	0	0	109.9	D260 N265 R266 G550 C551 I552 G553	D260-D262 PolarHBondContact O-N 2.63Å; D260-D262 WeakPolarHBondContact OD1-CB 3.48Å; D260-D262 PolarHBondContact OD1-N 3.1Å; D262-N265 PolarHBondContact O-N 2.92Å; D262-R266 WeakPolarHBondContact O-CG 3.47Å; D262-R266 PolarHBondContact O-N 2.95Å; D262-G550 WeakPolarHBondContact OD1-CA 3.41Å; D262-G550 VanDerWaalsContact OD2-C 3.27Å; D262-G550 VanDerWaalsContact OD2-CA 3.28Å; D262-G550 WeakPolarHBondContact OD2-CA 3.23Å; D262-C551 PolarHBondContact OD1-N 3.09Å; D262-I552 PolarHBondContact OD1-N 3.07Å; D262-I552 VanDerWaalsContact OD1-N 3.16Å; D262-I552 WeakPolarHBondContact OD2-CB 3.47Å; D262-I552 PolarHBondContact OD2-N 3.42Å; D262-G553 PolarHBondContact OD2-N 3.18Å
263	A	88.3	Confident	88.8	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-44.4	174	0	0	0	0	0	112.2	E202 D260 N265 R266 N267	E202-A263 HydrophobicContact CB-CB 4.13Å; E202-A263 HydrophobicContact CG-CB 4.39Å; D260-A263 HydrophobicContact CB-CB 3.87Å; D260-A263 WeakPolarHBondContact O-CB 3.33Å; D260-A263 PolarHBondContact O-N 2.98Å; D260-A263 VanDerWaalsContact O-N 3.11Å; D260-A263 PolarHBondContact OD1-N 2.87Å; A263-N265 VanDerWaalsContact C-N 3.32Å; A263-N265 PolarHBondContact O-N 3.38Å; A263-R266 PolarHBondContact O-N 2.68Å; A263-N267 PolarHBondContact O-N 3Å; A263-N267 PolarHBondContact O-ND2 3.44Å
264	H	90.4	Very high	89.2	Confident	16 Å²	16	28.1 Å²	28.1	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-57.3	-43.1	173.3	157.6	-101.8	0	0	0	112.1	L238 V259 D260 R266 N267 R268	L238-H264 HydrophobicContact CB-CB 4.46Å; V259-H264 HydrophobicContact CG1-CB 4.32Å; D260-H264 PolarHBondContact O-N 3.06Å; H264-R266 PolarHBondContact O-N 3.22Å; H264-N267 WeakPolarHBondContact O-CB 3.33Å; H264-N267 PolarHBondContact O-N 3Å; H264-R268 PolarHBondContact CE1-NH2 2.67Å; H264-R268 PolarHBondContact NE2-NH2 2.91Å; H264-R268 VanDerWaalsContact NE2-NH2 3.12Å; H264-R268 PolarHBondContact O-N 3.08Å
265	N	87.4	Confident	89.8	Confident	8 Å²	8	22.2 Å²	22.2	4%	0.043	12%	0.116	C	C	.	.	H	α-helix	trans	-67.5	-32.7	177.4	-79.1	-64.1	0	0	0	113.1	L261 D262 A263 R268 Q269 I552 F596 C600	L261-N265 PolarHBondContact O-N 3.07Å; L261-N265 PolarHBondContact O-ND2 2.99Å; D262-N265 PolarHBondContact O-N 2.92Å; A263-N265 VanDerWaalsContact C-N 3.32Å; A263-N265 PolarHBondContact O-N 3.38Å; N265-R268 WeakPolarHBondContact O-CB 3.43Å; N265-R268 PolarHBondContact O-N 3.44Å; N265-Q269 WeakPolarHBondContact O-CG 3.45Å; N265-Q269 PolarHBondContact O-N 2.98Å; N265-I552 WeakPolarHBondContact ND2-CD1 3.34Å; N265-F596 HydrophobicContact CB-CE2 4.26Å; N265-F596 HydrophobicContact CB-CZ 4.04Å; N265-C600 VanDerWaalsContact CG-SG 3.53Å; N265-C600 PolarHBondContact OD1-SG 3.43Å
266	R	87.8	Confident	90	Very high	72 Å²	72	23.4 Å²	23.4	27%	0.272	12%	0.123	S	C	.	.	H	α-helix	trans	-63.5	-44.4	170.8	-68.7	174.8	-163.2	136.8	6.7	111.6	Y205 D262 A263 H264 R268 Q269 T270	Y205-R266 HydrophobicContact CD1-CB 3.93Å; Y205-R266 HydrophobicContact CD2-CB 4.01Å; Y205-R266 HydrophobicContact CE1-CB 4.04Å; Y205-R266 HydrophobicContact CE2-CB 4.13Å; Y205-R266 HydrophobicContact CG-CB 3.92Å; Y205-R266 VanDerWaalsContact CZ-CD 3.45Å; Y205-R266 WeakPolarHBondContact OH-CD 3.47Å; Y205-R266 PolarHBondContact OH-NH1 3.33Å; D262-R266 WeakPolarHBondContact O-CG 3.47Å; D262-R266 PolarHBondContact O-N 2.95Å; A263-R266 PolarHBondContact O-N 2.68Å; H264-R266 PolarHBondContact O-N 3.22Å; R266-R268 VanDerWaalsContact C-N 3.29Å; R266-R268 PolarHBondContact O-N 2.77Å; R266-Q269 PolarHBondContact O-N 3.4Å; R266-T270 WeakPolarHBondContact O-CB 3.5Å; R266-T270 PolarHBondContact O-N 2.88Å; R266-T270 PolarHBondContact O-OG1 3.32Å; R266-T270 VanDerWaalsContact O-OG1 3.11Å
267	N	92.2	Very high	90.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.8	-42.4	173.9	-71.6	-74.4	0	0	0	112	E202 A204 Y205 V231 K235 A263 H264 T270 L271	E202-N267 PolarHBondContact O-ND2 3.27Å; A204-N267 WeakPolarHBondContact CB-OD1 3.48Å; Y205-N267 WeakPolarHBondContact CB-OD1 3.46Å; Y205-N267 PolarHBondContact N-OD1 2.79Å; V231-N267 HydrophobicContact CG1-CB 4.24Å; V231-N267 WeakPolarHBondContact CG1-O 3.46Å; K235-N267 HydrophobicContact CB-CB 4.19Å; A263-N267 PolarHBondContact O-N 3Å; A263-N267 PolarHBondContact O-ND2 3.44Å; H264-N267 WeakPolarHBondContact O-CB 3.33Å; H264-N267 PolarHBondContact O-N 3Å; N267-T270 PolarHBondContact O-N 3.17Å; N267-L271 WeakPolarHBondContact O-CB 3.44Å; N267-L271 PolarHBondContact O-N 2.97Å
268	R	90.5	Very high	90.1	Very high	38 Å²	38	25 Å²	25	14%	0.143	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-53.2	174.4	174.6	-171.6	-56.8	-73.2	-0.3	112.5	K235 E239 H264 N265 R266 T270 L271 S272 D300	K235-R268 VanDerWaalsContact CE-NH1 3.32Å; K235-R268 HydrophobicContact CG-CB 4.4Å; E239-R268 IonicContact OE2-NH2 3.72Å; H264-R268 PolarHBondContact CE1-NH2 2.67Å; H264-R268 PolarHBondContact NE2-NH2 2.91Å; H264-R268 VanDerWaalsContact NE2-NH2 3.12Å; H264-R268 PolarHBondContact O-N 3.08Å; N265-R268 WeakPolarHBondContact O-CB 3.43Å; N265-R268 PolarHBondContact O-N 3.44Å; R266-R268 VanDerWaalsContact C-N 3.29Å; R266-R268 PolarHBondContact O-N 2.77Å; R268-T270 VanDerWaalsContact C-N 3.3Å; R268-T270 PolarHBondContact O-N 3.29Å; R268-L271 PolarHBondContact O-N 3.41Å; R268-S272 PolarHBondContact O-N 3.06Å; R268-S272 PolarHBondContact O-OG 3.18Å; R268-D300 IonicContact CZ-OD2 2.68Å; R268-D300 IonicContact NH1-OD1 3.28Å; R268-D300 PolarHBondContact NH1-OD1 2.75Å; R268-D300 IonicContact NH1-OD2 2.67Å; R268-D300 PolarHBondContact NH1-OD2 2.97Å; R268-D300 IonicContact NH2-OD2 3.62Å
269	Q	87.2	Confident	90	Very high	87 Å²	87	23.7 Å²	23.7	41%	0.407	12%	0.123	S	C	.	.	H	α-helix	trans	-59.9	-43.8	179.6	-73	175.5	-5.7	0	0	111	N265 R266 L271 S272 S273	N265-Q269 WeakPolarHBondContact O-CG 3.45Å; N265-Q269 PolarHBondContact O-N 2.98Å; R266-Q269 PolarHBondContact O-N 3.4Å; Q269-L271 PolarHBondContact O-N 3.28Å; Q269-S272 PolarHBondContact O-N 3.16Å; Q269-S273 PolarHBondContact O-N 3.41Å; Q269-S273 PolarHBondContact O-OG 3.44Å
270	T	89.9	Confident	89.7	Confident	11 Å²	11	26.6 Å²	26.6	7%	0.067	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-45.9	177	-67.3	0	0	0	0	112.5	L226 V231 R266 N267 R268 S272 S273 L274 V796	L226-T270 HydrophobicContact CD2-CG2 3.99Å; V231-T270 HydrophobicContact CG1-CG2 4.15Å; V231-T270 HydrophobicContact CG2-CG2 4.42Å; R266-T270 WeakPolarHBondContact O-CB 3.5Å; R266-T270 PolarHBondContact O-N 2.88Å; R266-T270 PolarHBondContact O-OG1 3.32Å; R266-T270 VanDerWaalsContact O-OG1 3.11Å; N267-T270 PolarHBondContact O-N 3.17Å; R268-T270 VanDerWaalsContact C-N 3.3Å; R268-T270 PolarHBondContact O-N 3.29Å; T270-S272 PolarHBondContact O-N 2.97Å; T270-S273 PolarHBondContact O-N 3.33Å; T270-L274 HydrophobicContact CG2-CD1 3.79Å; T270-L274 HydrophobicContact CG2-CG 4.24Å; T270-L274 VanDerWaalsContact O-CG 3.29Å; T270-L274 WeakPolarHBondContact O-CG 3.49Å; T270-L274 PolarHBondContact O-N 2.8Å; T270-V796 HydrophobicContact CG2-CG1 4.15Å; T270-V796 HydrophobicContact CG2-CG2 3.61Å
271	L	93.7	Very high	89.5	Confident	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-58.3	-48.7	175.4	179.8	66.5	0	0	0	111.4	S228 V231 N267 R268 Q269 S273 L274 L275 A298 V299	S228-L271 WeakPolarHBondContact O-CD1 3.37Å; V231-L271 HydrophobicContact CG1-CB 4.24Å; N267-L271 WeakPolarHBondContact O-CB 3.44Å; N267-L271 PolarHBondContact O-N 2.97Å; R268-L271 PolarHBondContact O-N 3.41Å; Q269-L271 PolarHBondContact O-N 3.28Å; L271-S273 VanDerWaalsContact C-N 3.27Å; L271-S273 PolarHBondContact O-N 3.3Å; L271-L274 PolarHBondContact O-N 3.18Å; L271-L275 HydrophobicContact CD1-CD1 3.93Å; L271-L275 HydrophobicContact CD1-CD2 4.47Å; L271-L275 HydrophobicContact CD1-CG 4.01Å; L271-L275 HydrophobicContact CG-CD1 3.95Å; L271-L275 HydrophobicContact CG-CG 4.36Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 3.44Å; L271-A298 HydrophobicContact CD2-CB 3.77Å; L271-V299 HydrophobicContact CD2-CG2 4.33Å
272	S	90.7	Very high	89.7	Confident	62 Å²	62	24.8 Å²	24.8	43%	0.434	12%	0.123	S	C	.	.	H	α-helix	trans	-60	-36.6	-179.8	-68.4	0	0	0	0	112.9	R268 Q269 T270	R268-S272 PolarHBondContact O-N 3.06Å; R268-S272 PolarHBondContact O-OG 3.18Å; Q269-S272 PolarHBondContact O-N 3.16Å; T270-S272 PolarHBondContact O-N 2.97Å
273	S	88.1	Confident	89.7	Confident	47 Å²	47	26.4 Å²	26.4	33%	0.329	13%	0.132	S	C	.	.	H	α-helix	trans	-79.5	-27.2	178.1	-65.4	0	0	0	0	113.9	Q269 T270 L271	Q269-S273 PolarHBondContact O-N 3.41Å; Q269-S273 PolarHBondContact O-OG 3.44Å; T270-S273 PolarHBondContact O-N 3.33Å; L271-S273 VanDerWaalsContact C-N 3.27Å; L271-S273 PolarHBondContact O-N 3.3Å
274	L	89.6	Confident	90	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-79.1	-39.7	177.6	-71	173.3	0	0	0	112.4	L226 S228 T270 L271 R277 V796	L226-L274 HydrophobicContact CD2-CD1 4.09Å; L226-L274 HydrophobicContact CG-CD1 4.18Å; S228-L274 WeakPolarHBondContact OG-CB 3.45Å; T270-L274 HydrophobicContact CG2-CD1 3.79Å; T270-L274 HydrophobicContact CG2-CG 4.24Å; T270-L274 VanDerWaalsContact O-CG 3.29Å; T270-L274 WeakPolarHBondContact O-CG 3.49Å; T270-L274 PolarHBondContact O-N 2.8Å; L271-L274 PolarHBondContact O-N 3.18Å; L274-R277 WeakPolarHBondContact O-CA 3.41Å; L274-R277 VanDerWaalsContact O-CB 3.29Å; L274-R277 WeakPolarHBondContact O-CB 3.27Å; L274-R277 PolarHBondContact O-N 3.19Å; L274-V796 HydrophobicContact CD2-CG1 4.48Å; L274-V796 HydrophobicContact CG-CG1 4.31Å
275	L	93.2	Very high	90.3	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.063	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	146.6	180	-71.2	178.4	0	0	0	111.7	L271 R277 L288 V299 L304 T308	L271-L275 HydrophobicContact CD1-CD1 3.93Å; L271-L275 HydrophobicContact CD1-CD2 4.47Å; L271-L275 HydrophobicContact CD1-CG 4.01Å; L271-L275 HydrophobicContact CG-CD1 3.95Å; L271-L275 HydrophobicContact CG-CG 4.36Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 3.44Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-L288 HydrophobicContact CD2-CD1 4.34Å; L275-L288 HydrophobicContact CD2-CD2 3.65Å; L275-V299 HydrophobicContact CD1-CG2 3.46Å; L275-V299 VanDerWaalsContact CD1-CG2 3.46Å; L275-L304 HydrophobicContact CB-CD1 3.85Å; L275-L304 HydrophobicContact CB-CD2 4.15Å; L275-L304 HydrophobicContact CB-CG 4.11Å; L275-L304 HydrophobicContact CD1-CD2 4.12Å; L275-L304 HydrophobicContact CD1-CG 4.29Å; L275-T308 HydrophobicContact CD2-CG2 3.95Å
276	P	92.6	Very high	90.7	Very high	24 Å²	24	25.2 Å²	25.2	16%	0.156	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.4	17.8	6.5	36.4	-38.7	0	0	0	114.4	Q307 T308 K311	P276-Q307 HydrophobicContact CG-CG 4.29Å; P276-T308 HydrophobicContact CB-CG2 4.32Å; P276-K311 HydrophobicContact CB-CB 4.49Å; P276-K311 HydrophobicContact CB-CD 3.86Å; P276-K311 HydrophobicContact CG-CD 3.79Å
277	R	90.9	Very high	91.2	Very high	43 Å²	43	21.8 Å²	21.8	16%	0.162	11%	0.113	C	C	.	.			trans	-89.4	150.1	178.3	-177.2	-176	64.6	155.5	-3.2	110.5	S228 L274 L275 S279 H282 N283	S228-R277 WeakPolarHBondContact CB-O 3.45Å; S228-R277 PolarHBondContact OG-O 3.32Å; L274-R277 WeakPolarHBondContact O-CA 3.41Å; L274-R277 VanDerWaalsContact O-CB 3.29Å; L274-R277 WeakPolarHBondContact O-CB 3.27Å; L274-R277 PolarHBondContact O-N 3.19Å; L275-R277 VanDerWaalsContact C-N 3.34Å; R277-S279 WeakPolarHBondContact CD-O 3.48Å; R277-S279 WeakPolarHBondContact CG-O 3.41Å; R277-S279 PolarHBondContact NE-O 3.25Å; R277-H282 WeakPolarHBondContact CG-O 3.3Å; R277-N283 WeakPolarHBondContact CA-O 3.35Å
278	E	93.1	Very high	91.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.113	C	C	.	.			trans	-84.5	-49.1	176.7	170.5	58.7	-163.2	0	0	111.9	H227 S228 S229 H282 D285 L288	H227-E278 VanDerWaalsContact CB-OE1 3.29Å; H227-E278 WeakPolarHBondContact CB-OE1 3.49Å; H227-E278 IonicContact CG-OE1 3.2Å; H227-E278 IonicContact ND1-OE1 2.8Å; H227-E278 PolarHBondContact ND1-OE1 3Å; S228-E278 PolarHBondContact N-O 3.05Å; S228-E278 PolarHBondContact OG-O 3.23Å; S229-E278 WeakPolarHBondContact CB-OE1 3.44Å; S229-E278 PolarHBondContact N-OE1 3.49Å; S229-E278 PolarHBondContact N-OE2 3.39Å; S229-E278 VanDerWaalsContact N-OE2 3.15Å; S229-E278 PolarHBondContact OG-OE1 2.9Å; E278-H282 HydrophobicContact CB-CB 3.84Å; E278-H282 HydrophobicContact CG-CB 4.02Å; E278-H282 PolarHBondContact N-O 3.03Å; E278-D285 HydrophobicContact CB-CB 3.56Å; E278-D285 HydrophobicContact CG-CB 3.56Å; E278-L288 HydrophobicContact CB-CD1 4.42Å; E278-L288 HydrophobicContact CB-CG 4.48Å; E278-L288 WeakPolarHBondContact OE2-CD2 3.12Å; E278-L288 WeakPolarHBondContact OE2-CG 3.07Å
279	S	90.5	Very high	91.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.107	C	C	.	.	S	Bend	trans	-160	-171.1	179.9	64	0	0	0	0	111	E225 L226 R277 S281 H282	E225-S279 WeakPolarHBondContact OE2-CB 3.36Å; E225-S279 PolarHBondContact OE2-OG 3.06Å; L226-S279 WeakPolarHBondContact O-CB 3.39Å; R277-S279 WeakPolarHBondContact CD-O 3.48Å; R277-S279 WeakPolarHBondContact CG-O 3.41Å; R277-S279 PolarHBondContact NE-O 3.25Å; S279-S281 PolarHBondContact O-N 3.35Å; S279-H282 PolarHBondContact N-O 3.05Å; S279-H282 VanDerWaalsContact O-O 3.14Å; S279-H282 WeakPolarHBondContact OG-CB 3.37Å; S279-H282 PolarHBondContact OG-ND1 3.48Å
280	R	84	Confident	92.2	Very high	70 Å²	70	16 Å²	16	26%	0.264	9%	0.088	S	C	.	.	S	Bend	trans	-62	-43.8	-175.9	178.8	175.7	161.8	-176.5	-12.8	112.2	E225 Q800 M969 N970	E225-R280 PolarHBondContact OE2-N 2.61Å; R280-Q800 VanDerWaalsContact NH1-NE2 3.19Å; R280-M969 HydrophobicContact CG-CB 4.21Å; R280-N970 VanDerWaalsContact CZ-OD1 3.28Å; R280-N970 PolarHBondContact NE-OD1 3.26Å; R280-N970 PolarHBondContact NH2-OD1 3.19Å
281	S	86.8	Confident	92.5	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.014	9%	0.085	C	C	.	.	S	Bend	trans	-91	-23.7	179.7	61.9	0	0	0	0	113.2	K218 E225 S279	K218-S281 WeakPolarHBondContact CB-OG 3.47Å; K218-S281 WeakPolarHBondContact CD-O 3.21Å; K218-S281 PolarHBondContact N-OG 2.96Å; E225-S281 VanDerWaalsContact OE1-CB 3.28Å; E225-S281 WeakPolarHBondContact OE1-CB 3.39Å; E225-S281 PolarHBondContact OE1-OG 3.1Å; E225-S281 PolarHBondContact OE2-N 3.2Å; E225-S281 PolarHBondContact OE2-OG 3.26Å; S279-S281 PolarHBondContact O-N 3.35Å
282	H	89.5	Confident	92.6	Very high	5 Å²	5	15.7 Å²	15.7	2%	0.023	9%	0.085	C	C	.	.			trans	-96.6	102.1	-180	-60.3	80.3	0	0	0	111.5	G216 K218 E225 R277 E278 S279 T284 D285 F325	G216-H282 PolarHBondContact O-CE1 3.49Å; K218-H282 VanDerWaalsContact CA-CE1 3.44Å; K218-H282 WeakPolarHBondContact CA-CE1 3.41Å; K218-H282 PolarHBondContact N-CE1 2.92Å; E225-H282 IonicContact OE2-ND1 3.08Å; R277-H282 WeakPolarHBondContact CG-O 3.3Å; E278-H282 HydrophobicContact CB-CB 3.84Å; E278-H282 HydrophobicContact CG-CB 4.02Å; E278-H282 PolarHBondContact N-O 3.03Å; S279-H282 PolarHBondContact N-O 3.05Å; S279-H282 VanDerWaalsContact O-O 3.14Å; S279-H282 WeakPolarHBondContact OG-CB 3.37Å; S279-H282 PolarHBondContact OG-ND1 3.48Å; H282-T284 VanDerWaalsContact C-N 3.25Å; H282-T284 PolarHBondContact O-N 2.82Å; H282-D285 IonicContact CD2-OD2 2.6Å; H282-F325 AromaticContact CD2-CD1 3.73Å; H282-F325 AromaticContact CD2-CD2 3.74Å; H282-F325 AromaticContact CD2-CG 3.51Å; H282-F325 AromaticContact NE2-CD1 3.85Å; H282-F325 AromaticContact NE2-CD2 3.94Å; H282-F325 AromaticContact NE2-CE1 3.78Å; H282-F325 AromaticContact NE2-CE2 3.87Å; H282-F325 AromaticContact NE2-CG 3.94Å; H282-F325 AromaticContact NE2-CZ 3.79Å
283	N	88.1	Confident	92.9	Very high	40 Å²	40	12.9 Å²	12.9	21%	0.214	7%	0.066	C	C	.	.	S	Bend	trans	-59.3	-36	176.8	-174.2	19.1	0	0	0	112.6	R277 K311	R277-N283 WeakPolarHBondContact CA-O 3.35Å; N283-K311 WeakPolarHBondContact O-CE 3.43Å; N283-K311 PolarHBondContact O-NZ 3.31Å; N283-K311 WeakPolarHBondContact OD1-CE 3.38Å; N283-K311 PolarHBondContact OD1-NZ 3.39Å
284	T	93.6	Very high	93.2	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.012	5%	0.051	C	C	.	.			trans	-159.1	157.5	172.7	-170.9	0	0	0	0	108.5	H282 K315 L316	H282-T284 VanDerWaalsContact C-N 3.25Å; H282-T284 PolarHBondContact O-N 2.82Å; T284-K315 HydrophobicContact CG2-CB 3.84Å; T284-K315 HydrophobicContact CG2-CG 4.28Å; T284-L316 HydrophobicContact CG2-CD1 4.15Å; T284-L316 HydrophobicContact CG2-CD2 4.18Å; T284-L316 HydrophobicContact CG2-CG 4.05Å
285	D	96.3	Very high	93.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.05	C	C	.	.			trans	-151.3	146	-177	-162.6	-58.2	0	0	0	110.4	W213 E278 H282 A287 L288 R324 F325	W213-D285 PolarHBondContact NE1-OD1 3.28Å; W213-D285 PolarHBondContact NE1-OD2 2.97Å; E278-D285 HydrophobicContact CB-CB 3.56Å; E278-D285 HydrophobicContact CG-CB 3.56Å; H282-D285 IonicContact CD2-OD2 2.6Å; D285-A287 HydrophobicContact CB-CB 4.42Å; D285-A287 PolarHBondContact O-N 3.15Å; D285-A287 WeakPolarHBondContact OD1-CB 3.5Å; D285-A287 PolarHBondContact OD1-N 3.07Å; D285-L288 WeakPolarHBondContact O-CB 3.49Å; D285-L288 WeakPolarHBondContact O-CG 3.23Å; D285-L288 PolarHBondContact O-N 3.17Å; D285-R324 CarbonylContact C-O 3.52Å; D285-R324 WeakPolarHBondContact CA-O 3.12Å; D285-R324 VanDerWaalsContact OD1-O 3.14Å; D285-F325 VanDerWaalsContact OD2-CD1 3.29Å; D285-F325 WeakPolarHBondContact OD2-CD1 3.44Å
286	A	97.4	Very high	93.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-68.6	-17.2	174.6	0	0	0	0	0	113	L288 L289 L316 R324 F360	A286-L288 PolarHBondContact O-N 3.23Å; A286-L288 VanDerWaalsContact O-N 3.16Å; A286-L289 WeakPolarHBondContact O-CB 3.27Å; A286-L289 PolarHBondContact O-N 3.11Å; A286-L316 HydrophobicContact CB-CD1 4.25Å; A286-R324 PolarHBondContact N-O 2.95Å; A286-F360 HydrophobicContact CB-CD1 4.02Å; A286-F360 HydrophobicContact CB-CD2 3.91Å; A286-F360 HydrophobicContact CB-CE1 3.65Å; A286-F360 HydrophobicContact CB-CE2 3.53Å; A286-F360 HydrophobicContact CB-CG 4.13Å; A286-F360 HydrophobicContact CB-CZ 3.37Å; A286-F360 WeakPolarHBondContact O-CE1 3.26Å
287	A	96.8	Very high	93.8	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.008	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-58.5	-19.8	169.9	0	0	0	0	0	113.5	M212 D285 L289 P290 T291	M212-A287 HydrophobicContact CB-CB 4.12Å; M212-A287 HydrophobicContact CE-CB 3.53Å; M212-A287 HydrophobicContact SD-CB 4.17Å; D285-A287 HydrophobicContact CB-CB 4.42Å; D285-A287 PolarHBondContact O-N 3.15Å; D285-A287 WeakPolarHBondContact OD1-CB 3.5Å; D285-A287 PolarHBondContact OD1-N 3.07Å; A287-L289 VanDerWaalsContact C-N 3.3Å; A287-L289 PolarHBondContact O-N 3.26Å; A287-P290 VanDerWaalsContact O-CD 3.3Å; A287-P290 WeakPolarHBondContact O-CD 3.03Å; A287-P290 WeakPolarHBondContact O-CG 3.4Å; A287-T291 PolarHBondContact O-OG1 3.06Å; A287-T291 VanDerWaalsContact O-OG1 3.07Å
288	L	97.9	Very high	93.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-69.6	-25.3	173.7	-66.5	175.6	0	0	0	112.7	L275 E278 D285 A286 T291 I292 T308 I312	L275-L288 HydrophobicContact CD2-CD1 4.34Å; L275-L288 HydrophobicContact CD2-CD2 3.65Å; E278-L288 HydrophobicContact CB-CD1 4.42Å; E278-L288 HydrophobicContact CB-CG 4.48Å; E278-L288 WeakPolarHBondContact OE2-CD2 3.12Å; E278-L288 WeakPolarHBondContact OE2-CG 3.07Å; D285-L288 WeakPolarHBondContact O-CB 3.49Å; D285-L288 WeakPolarHBondContact O-CG 3.23Å; D285-L288 PolarHBondContact O-N 3.17Å; A286-L288 PolarHBondContact O-N 3.23Å; A286-L288 VanDerWaalsContact O-N 3.16Å; L288-T291 WeakPolarHBondContact O-CA 3.48Å; L288-T291 VanDerWaalsContact O-CB 3.24Å; L288-T291 WeakPolarHBondContact O-CB 3.35Å; L288-T291 PolarHBondContact O-N 2.96Å; L288-I292 WeakPolarHBondContact O-CG1 3.3Å; L288-I292 PolarHBondContact O-N 3.33Å; L288-T308 HydrophobicContact CB-CG2 4.37Å; L288-T308 HydrophobicContact CD1-CG2 4.02Å; L288-I312 HydrophobicContact CB-CD1 3.57Å; L288-I312 HydrophobicContact CB-CG1 4.43Å; L288-I312 HydrophobicContact CD1-CD1 4.31Å; L288-I312 HydrophobicContact CD1-CG1 4.45Å
289	L	97.4	Very high	93.9	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-59.6	-54.4	179.8	-71.4	171.4	0	0	0	113.5	A286 A287 T291 I292 S293 L309 I312 F360 M364	A286-L289 WeakPolarHBondContact O-CB 3.27Å; A286-L289 PolarHBondContact O-N 3.11Å; A287-L289 VanDerWaalsContact C-N 3.3Å; A287-L289 PolarHBondContact O-N 3.26Å; L289-T291 PolarHBondContact O-N 3.21Å; L289-T291 VanDerWaalsContact O-N 3.09Å; L289-I292 PolarHBondContact O-N 3.01Å; L289-S293 WeakPolarHBondContact O-CB 3.41Å; L289-S293 PolarHBondContact O-N 3.29Å; L289-L309 HydrophobicContact CD2-CD1 3.63Å; L289-I312 HydrophobicContact CD1-CG2 4.28Å; L289-I312 HydrophobicContact CD2-CD1 4.16Å; L289-I312 HydrophobicContact CD2-CG2 4.25Å; L289-I312 HydrophobicContact CG-CD1 4.27Å; L289-I312 HydrophobicContact CG-CG2 4.16Å; L289-F360 HydrophobicContact CD1-CB 4.01Å; L289-F360 HydrophobicContact CD1-CD1 3.56Å; L289-F360 HydrophobicContact CD1-CE1 4.37Å; L289-F360 HydrophobicContact CD1-CG 4.09Å; L289-M364 HydrophobicContact CD2-SD 3.94Å
290	P	96.1	Very high	93.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.3	-11.7	175	26.1	-35.5	0	0	0	113.5	M212 A287 Y294 A296 Y363	M212-P290 HydrophobicContact SD-CG 4.18Å; A287-P290 VanDerWaalsContact O-CD 3.3Å; A287-P290 WeakPolarHBondContact O-CD 3.03Å; A287-P290 WeakPolarHBondContact O-CG 3.4Å; P290-Y294 WeakPolarHBondContact CA-O 3.47Å; P290-A296 WeakPolarHBondContact O-CB 3.37Å; P290-A296 PolarHBondContact O-N 3.31Å; P290-A296 VanDerWaalsContact O-N 3.15Å; P290-Y363 HydrophobicContact CB-CE1 3.79Å
291	T	96.5	Very high	93.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-86	-47.6	178.1	-54.1	0	0	0	0	111.7	S229 A287 L288 L289 F297 A298	S229-T291 VanDerWaalsContact CA-OG1 3.28Å; S229-T291 WeakPolarHBondContact CA-OG1 3.36Å; A287-T291 PolarHBondContact O-OG1 3.06Å; A287-T291 VanDerWaalsContact O-OG1 3.07Å; L288-T291 WeakPolarHBondContact O-CA 3.48Å; L288-T291 VanDerWaalsContact O-CB 3.24Å; L288-T291 WeakPolarHBondContact O-CB 3.35Å; L288-T291 PolarHBondContact O-N 2.96Å; L289-T291 PolarHBondContact O-N 3.21Å; L289-T291 VanDerWaalsContact O-N 3.09Å; T291-F297 PolarHBondContact O-N 3.5Å; T291-A298 HydrophobicContact CG2-CB 4.04Å; T291-A298 VanDerWaalsContact O-CB 3.24Å; T291-A298 WeakPolarHBondContact O-CB 3.49Å; T291-A298 PolarHBondContact O-N 3.39Å
292	I	96.3	Very high	93.8	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-84.1	-23	-178.9	71	179.9	0	0	0	112.7	L288 L289 V299 Y305 T308 L309 I312	L288-I292 WeakPolarHBondContact O-CG1 3.3Å; L288-I292 PolarHBondContact O-N 3.33Å; L289-I292 PolarHBondContact O-N 3.01Å; I292-V299 HydrophobicContact CB-CG2 4.27Å; I292-V299 HydrophobicContact CG2-CG2 3.7Å; I292-Y305 HydrophobicContact CB-CD2 3.87Å; I292-Y305 HydrophobicContact CB-CE2 3.96Å; I292-Y305 HydrophobicContact CD1-CD2 4.23Å; I292-Y305 HydrophobicContact CD1-CE2 3.96Å; I292-Y305 HydrophobicContact CG1-CD2 4.15Å; I292-Y305 HydrophobicContact CG1-CE2 3.79Å; I292-Y305 WeakPolarHBondContact O-CE2 3.49Å; I292-T308 HydrophobicContact CD1-CG2 4.14Å; I292-T308 HydrophobicContact CG2-CG2 4.07Å; I292-L309 HydrophobicContact CD1-CB 4.12Å; I292-L309 HydrophobicContact CD1-CD1 4.17Å; I292-I312 HydrophobicContact CD1-CD1 4.23Å
293	S	95.5	Very high	94.1	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	13%	0.125	C	C	.	.	S	Bend	trans	-121.7	-159.7	178.9	-164.9	0	0	0	0	110.6	L289 P295 A296 F297 D367	L289-S293 WeakPolarHBondContact O-CB 3.41Å; L289-S293 PolarHBondContact O-N 3.29Å; S293-P295 CarbonylContact O-C 3.47Å; S293-A296 PolarHBondContact O-N 3.16Å; S293-F297 PolarHBondContact O-N 3Å; S293-D367 WeakPolarHBondContact CB-OD1 3.43Å; S293-D367 WeakPolarHBondContact OG-CB 3.43Å; S293-D367 PolarHBondContact OG-OD1 3.32Å
294	Y	96	Very high	94.3	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.012	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	133.5	-179.9	175.5	-93.3	0	0	0	111.7	Y173 P290 F297 Y363 I366 F370 M439 I456	Y173-Y294 PolarHBondContact OH-OH 2.96Å; P290-Y294 WeakPolarHBondContact CA-O 3.47Å; Y294-F297 HydrophobicContact CD2-CE2 4.2Å; Y294-F297 HydrophobicContact CD2-CZ 4.4Å; Y294-Y363 WeakPolarHBondContact O-CE1 3.4Å; Y294-I366 HydrophobicContact CD1-CD1 4.44Å; Y294-I366 HydrophobicContact CD1-CG2 4.11Å; Y294-I366 HydrophobicContact CG-CG2 3.96Å; Y294-F370 AromaticContact CD2-CE2 3.89Å; Y294-F370 HydrophobicContact CD2-CE2 3.89Å; Y294-F370 AromaticContact CD2-CZ 3.78Å; Y294-F370 HydrophobicContact CD2-CZ 3.78Å; Y294-F370 HydrophobicContact CG-CE2 4.1Å; Y294-F370 HydrophobicContact CG-CZ 4.42Å; Y294-M439 HydrophobicContact CD1-CE 4Å; Y294-M439 HydrophobicContact CE1-CE 3.97Å; Y294-M439 HydrophobicContact CE1-SD 4.45Å; Y294-I456 HydrophobicContact CD2-CD1 4.15Å; Y294-I456 HydrophobicContact CE2-CB 4.38Å; Y294-I456 HydrophobicContact CE2-CD1 3.71Å; Y294-I456 HydrophobicContact CE2-CG1 4.1Å
295	P	95.8	Very high	94.4	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.032	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92	-11.7	5	34.4	-33.3	0	0	0	114.2	L169 L172 Y173 S293 F297 R461	L169-P295 HydrophobicContact CD1-CG 3.58Å; L172-P295 HydrophobicContact CD2-CB 4.19Å; L172-P295 HydrophobicContact CD2-CG 4.45Å; Y173-P295 HydrophobicContact CE1-CB 4.44Å; S293-P295 CarbonylContact O-C 3.47Å; P295-F297 WeakPolarHBondContact O-CD2 3.37Å; P295-R461 PolarHBondContact O-NH1 3.11Å; P295-R461 VanDerWaalsContact O-NH1 3.08Å
296	A	95.6	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-21.5	-162.1	0	0	0	0	0	115.5	L233 A236 P290 S293 A298 R461	L233-A296 HydrophobicContact CD2-CB 3.51Å; L233-A296 HydrophobicContact CG-CB 3.98Å; A236-A296 HydrophobicContact CB-CB 4.03Å; A236-A296 WeakPolarHBondContact CB-O 3.3Å; P290-A296 WeakPolarHBondContact O-CB 3.37Å; P290-A296 PolarHBondContact O-N 3.31Å; P290-A296 VanDerWaalsContact O-N 3.15Å; S293-A296 PolarHBondContact O-N 3.16Å; A296-A298 WeakPolarHBondContact O-CA 3.44Å; A296-A298 PolarHBondContact O-N 3.42Å; A296-R461 PolarHBondContact O-NH1 3.38Å; A296-R461 PolarHBondContact O-NH2 3.09Å
297	F	95	Very high	94.4	Very high	24 Å²	24	29 Å²	29	11%	0.105	17%	0.166	C	C	.	.			trans	35	46.3	175.5	-55.4	-70.2	0	0	0	114.2	T291 S293 Y294 P295 V299 F370 R461	T291-F297 PolarHBondContact O-N 3.5Å; S293-F297 PolarHBondContact O-N 3Å; Y294-F297 HydrophobicContact CD2-CE2 4.2Å; Y294-F297 HydrophobicContact CD2-CZ 4.4Å; P295-F297 WeakPolarHBondContact O-CD2 3.37Å; F297-V299 VanDerWaalsContact C-N 3.32Å; F297-V299 PolarHBondContact O-N 3.01Å; F297-F370 HydrophobicContact CE1-CB 4.4Å; F297-F370 HydrophobicContact CE1-CD1 4.06Å; F297-F370 HydrophobicContact CE1-CE1 4.49Å; F297-F370 HydrophobicContact CE1-CG 4.17Å; F297-F370 HydrophobicContact CE2-CD1 4.3Å; F297-F370 AromaticContact CE2-CE1 3.93Å; F297-F370 HydrophobicContact CE2-CE1 3.93Å; F297-F370 HydrophobicContact CE2-CZ 4.26Å; F297-F370 HydrophobicContact CZ-CB 4.49Å; F297-F370 AromaticContact CZ-CD1 3.47Å; F297-F370 HydrophobicContact CZ-CD1 3.47Å; F297-F370 VanDerWaalsContact CZ-CD1 3.47Å; F297-F370 HydrophobicContact CZ-CD2 4.11Å; F297-F370 AromaticContact CZ-CE1 3.49Å; F297-F370 HydrophobicContact CZ-CE1 3.49Å; F297-F370 VanDerWaalsContact CZ-CE1 3.49Å; F297-F370 HydrophobicContact CZ-CE2 4.15Å; F297-F370 AromaticContact CZ-CG 3.78Å; F297-F370 HydrophobicContact CZ-CG 3.78Å; F297-F370 AromaticContact CZ-CZ 3.86Å; F297-F370 HydrophobicContact CZ-CZ 3.86Å; F297-R461 HydrophobicContact CB-CB 4.34Å; F297-R461 HydrophobicContact CD2-CB 4.23Å; F297-R461 PolarHBondContact O-NH2 2.94Å
298	A	94	Very high	94.4	Very high	2 Å²	2	29 Å²	29	2%	0.017	17%	0.165	C	C	.	.			trans	-81.5	-17.9	-162.5	0	0	0	0	0	112.6	G232 K235 L271 T291 A296	G232-A298 VanDerWaalsContact O-CB 3.3Å; G232-A298 WeakPolarHBondContact O-CB 3.42Å; K235-A298 HydrophobicContact CD-CB 4.34Å; K235-A298 VanDerWaalsContact CE-O 3.22Å; K235-A298 WeakPolarHBondContact CE-O 3.32Å; K235-A298 PolarHBondContact NZ-O 3.34Å; L271-A298 HydrophobicContact CD2-CB 3.77Å; T291-A298 HydrophobicContact CG2-CB 4.04Å; T291-A298 VanDerWaalsContact O-CB 3.24Å; T291-A298 WeakPolarHBondContact O-CB 3.49Å; T291-A298 PolarHBondContact O-N 3.39Å; A296-A298 WeakPolarHBondContact O-CA 3.44Å; A296-A298 PolarHBondContact O-N 3.42Å
299	V	92.5	Very high	94.4	Very high	24 Å²	24	30.1 Å²	30.1	15%	0.145	17%	0.171	C	C	.	.			trans	-98.3	118.5	-174	-176.4	0	0	0	0	109.8	L271 L275 I292 F297 D301 L304	L271-V299 HydrophobicContact CD2-CG2 4.33Å; L275-V299 HydrophobicContact CD1-CG2 3.46Å; L275-V299 VanDerWaalsContact CD1-CG2 3.46Å; I292-V299 HydrophobicContact CB-CG2 4.27Å; I292-V299 HydrophobicContact CG2-CG2 3.7Å; F297-V299 VanDerWaalsContact C-N 3.32Å; F297-V299 PolarHBondContact O-N 3.01Å; V299-D301 WeakPolarHBondContact CG1-O 3.3Å; V299-L304 HydrophobicContact CG1-CB 4.18Å; V299-L304 HydrophobicContact CG1-CD2 4.23Å; V299-L304 HydrophobicContact CG1-CG 4.28Å
300	D	84.2	Confident	94.4	Very high	84 Å²	84	34.4 Å²	34.4	45%	0.449	19%	0.194	S	C	.	.			trans	-86	-18.2	179.2	-67.2	16.7	0	0	0	113	K235 R268 R465	K235-D300 IonicContact NZ-OD1 2.63Å; K235-D300 PolarHBondContact NZ-OD1 3.16Å; R268-D300 IonicContact CZ-OD2 2.68Å; R268-D300 IonicContact NH1-OD1 3.28Å; R268-D300 PolarHBondContact NH1-OD1 2.75Å; R268-D300 IonicContact NH1-OD2 2.67Å; R268-D300 PolarHBondContact NH1-OD2 2.97Å; R268-D300 IonicContact NH2-OD2 3.62Å; D300-R465 IonicContact OD1-CZ 2.72Å; D300-R465 IonicContact OD1-NH2 2.99Å; D300-R465 PolarHBondContact OD1-NH2 2.8Å; D300-R465 IonicContact OD2-CZ 3.73Å; D300-R465 IonicContact OD2-NH1 3.2Å; D300-R465 PolarHBondContact OD2-NH1 2.9Å; D300-R465 IonicContact OD2-NH2 3.43Å; D300-R465 PolarHBondContact OD2-NH2 3.35Å
301	D	87.2	Confident	94.4	Very high	89 Å²	89	35.7 Å²	35.7	48%	0.476	20%	0.2	S	C	.	.			trans	-98.3	114.9	-176.7	177.8	0	0	0	0	111	V299 A303 L304 Y305	V299-D301 WeakPolarHBondContact CG1-O 3.3Å; D301-A303 VanDerWaalsContact C-N 3.28Å; D301-A303 PolarHBondContact O-N 3.16Å; D301-A303 WeakPolarHBondContact OD1-CB 3.45Å; D301-A303 PolarHBondContact OD1-N 2.96Å; D301-L304 HydrophobicContact CB-CB 4.03Å; D301-L304 PolarHBondContact O-N 3.27Å; D301-Y305 WeakPolarHBondContact O-CB 3.36Å; D301-Y305 PolarHBondContact O-N 2.87Å
302	D	89.3	Confident	94.4	Very high	100 Å²	100	35.7 Å²	35.7	54%	0.535	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-29.9	-179.7	-83.5	-41.9	0	0	0	113.6	S306 R371	D302-S306 VanDerWaalsContact O-CB 3.32Å; D302-S306 WeakPolarHBondContact O-CB 3.41Å; D302-S306 PolarHBondContact O-N 3Å; D302-S306 PolarHBondContact O-OG 3.31Å; D302-R371 IonicContact OD1-NH1 3.03Å; D302-R371 IonicContact OD1-NH2 2.98Å
303	A	94	Very high	94.5	Very high	65 Å²	65	37.1 Å²	37.1	54%	0.537	21%	0.208	S	C	.	.	H	α-helix	trans	-69.8	-46.7	177	0	0	0	0	0	110.5	D301 Y305 S306 Q307	D301-A303 VanDerWaalsContact C-N 3.28Å; D301-A303 PolarHBondContact O-N 3.16Å; D301-A303 WeakPolarHBondContact OD1-CB 3.45Å; D301-A303 PolarHBondContact OD1-N 2.96Å; A303-Y305 VanDerWaalsContact C-N 3.35Å; A303-S306 PolarHBondContact O-N 2.89Å; A303-Q307 WeakPolarHBondContact O-CB 3.26Å; A303-Q307 PolarHBondContact O-N 3.31Å
304	L	93.9	Very high	94.5	Very high	17 Å²	17	44.2 Å²	44.2	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-39.5	176.3	-174.2	61.1	0	0	0	111.7	L275 V299 D301 T308	L275-L304 HydrophobicContact CB-CD1 3.85Å; L275-L304 HydrophobicContact CB-CD2 4.15Å; L275-L304 HydrophobicContact CB-CG 4.11Å; L275-L304 HydrophobicContact CD1-CD2 4.12Å; L275-L304 HydrophobicContact CD1-CG 4.29Å; V299-L304 HydrophobicContact CG1-CB 4.18Å; V299-L304 HydrophobicContact CG1-CD2 4.23Å; V299-L304 HydrophobicContact CG1-CG 4.28Å; D301-L304 HydrophobicContact CB-CB 4.03Å; D301-L304 PolarHBondContact O-N 3.27Å; L304-T308 WeakPolarHBondContact O-CB 3.21Å; L304-T308 PolarHBondContact O-N 2.8Å; L304-T308 PolarHBondContact O-OG1 3.23Å
305	Y	95.2	Very high	94.4	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.027	25%	0.249	C	C	.	.	H	α-helix	trans	-55.1	-54.2	171.1	172	-85.8	0	0	0	110.9	I292 D301 A303 Q307 T308 L309 D367 R371	I292-Y305 HydrophobicContact CB-CD2 3.87Å; I292-Y305 HydrophobicContact CB-CE2 3.96Å; I292-Y305 HydrophobicContact CD1-CD2 4.23Å; I292-Y305 HydrophobicContact CD1-CE2 3.96Å; I292-Y305 HydrophobicContact CG1-CD2 4.15Å; I292-Y305 HydrophobicContact CG1-CE2 3.79Å; I292-Y305 WeakPolarHBondContact O-CE2 3.49Å; D301-Y305 WeakPolarHBondContact O-CB 3.36Å; D301-Y305 PolarHBondContact O-N 2.87Å; A303-Y305 VanDerWaalsContact C-N 3.35Å; Y305-Q307 PolarHBondContact O-N 2.77Å; Y305-T308 PolarHBondContact O-N 3.36Å; Y305-T308 VanDerWaalsContact O-N 3.16Å; Y305-L309 HydrophobicContact CE1-CB 4.34Å; Y305-L309 HydrophobicContact CE1-CD2 3.86Å; Y305-L309 PolarHBondContact O-N 3.02Å; Y305-D367 PolarHBondContact OH-OD1 3.35Å; Y305-D367 PolarHBondContact OH-OD2 2.94Å; Y305-R371 VanDerWaalsContact CD1-CZ 3.5Å; Y305-R371 VanDerWaalsContact CZ-CZ 3.42Å; Y305-R371 PolarHBondContact OH-NE 2.92Å; Y305-R371 VanDerWaalsContact OH-NE 3.14Å
306	S	96	Very high	94.4	Very high	65 Å²	65	47.3 Å²	47.3	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-64.6	-41.4	-174.8	-59.2	0	0	0	0	111.6	D302 A303 T308 L309 D310	D302-S306 VanDerWaalsContact O-CB 3.32Å; D302-S306 WeakPolarHBondContact O-CB 3.41Å; D302-S306 PolarHBondContact O-N 3Å; D302-S306 PolarHBondContact O-OG 3.31Å; A303-S306 PolarHBondContact O-N 2.89Å; S306-T308 VanDerWaalsContact C-N 3.32Å; S306-T308 PolarHBondContact O-N 3.4Å; S306-L309 PolarHBondContact O-N 3.48Å; S306-D310 WeakPolarHBondContact O-CB 3.5Å; S306-D310 PolarHBondContact O-N 2.91Å
307	Q	96.6	Very high	94.5	Very high	110 Å²	110	52 Å²	52	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-40.8	174.9	-172.7	-174.2	25.8	0	0	112	P276 A303 Y305 K311	P276-Q307 HydrophobicContact CG-CG 4.29Å; A303-Q307 WeakPolarHBondContact O-CB 3.26Å; A303-Q307 PolarHBondContact O-N 3.31Å; Y305-Q307 PolarHBondContact O-N 2.77Å; Q307-K311 WeakPolarHBondContact O-CB 3.46Å; Q307-K311 PolarHBondContact O-N 2.89Å; Q307-K311 VanDerWaalsContact O-N 3.14Å
308	T	97.3	Very high	94.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.7	-48.1	178.7	-57.5	0	0	0	0	110.9	L275 P276 L288 I292 L304 Y305 S306 K311 I312	L275-T308 HydrophobicContact CD2-CG2 3.95Å; P276-T308 HydrophobicContact CB-CG2 4.32Å; L288-T308 HydrophobicContact CB-CG2 4.37Å; L288-T308 HydrophobicContact CD1-CG2 4.02Å; I292-T308 HydrophobicContact CD1-CG2 4.14Å; I292-T308 HydrophobicContact CG2-CG2 4.07Å; L304-T308 WeakPolarHBondContact O-CB 3.21Å; L304-T308 PolarHBondContact O-N 2.8Å; L304-T308 PolarHBondContact O-OG1 3.23Å; Y305-T308 PolarHBondContact O-N 3.36Å; Y305-T308 VanDerWaalsContact O-N 3.16Å; S306-T308 VanDerWaalsContact C-N 3.32Å; S306-T308 PolarHBondContact O-N 3.4Å; T308-K311 PolarHBondContact O-N 3.28Å; T308-I312 HydrophobicContact CG2-CD1 4.01Å; T308-I312 VanDerWaalsContact O-CG1 3.31Å; T308-I312 WeakPolarHBondContact O-CG1 3.42Å; T308-I312 PolarHBondContact O-N 2.83Å
309	L	97.4	Very high	94.5	Very high	24 Å²	24	59.1 Å²	59.1	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-46	178.6	-172.4	69	0	0	0	111.8	L289 I292 Y305 S306 K311 I312 V313 M364	L289-L309 HydrophobicContact CD2-CD1 3.63Å; I292-L309 HydrophobicContact CD1-CB 4.12Å; I292-L309 HydrophobicContact CD1-CD1 4.17Å; Y305-L309 HydrophobicContact CE1-CB 4.34Å; Y305-L309 HydrophobicContact CE1-CD2 3.86Å; Y305-L309 PolarHBondContact O-N 3.02Å; S306-L309 PolarHBondContact O-N 3.48Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.31Å; L309-I312 PolarHBondContact O-N 3.32Å; L309-V313 HydrophobicContact CG-CG2 4.43Å; L309-V313 WeakPolarHBondContact O-CG2 3.43Å; L309-V313 PolarHBondContact O-N 2.89Å; L309-M364 HydrophobicContact CD1-CE 4.03Å; L309-M364 HydrophobicContact CD1-SD 3.87Å; L309-M364 HydrophobicContact CD2-CE 4.35Å
310	D	97.3	Very high	94.6	Very high	93 Å²	93	59.2 Å²	59.2	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-56.2	-46.2	175.5	174.2	77.9	0	0	0	111.4	S306 I312 V313 R314	S306-D310 WeakPolarHBondContact O-CB 3.5Å; S306-D310 PolarHBondContact O-N 2.91Å; D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 2.93Å; D310-V313 PolarHBondContact O-N 3.31Å; D310-R314 WeakPolarHBondContact O-CB 3.37Å; D310-R314 PolarHBondContact O-N 3.38Å; D310-R314 IonicContact OD2-NE 2.91Å
311	K	96.2	Very high	95.2	Very high	28 Å²	28	55.2 Å²	55.2	12%	0.122	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-42.7	179.8	-168.4	-179.5	-174.7	-172.5	0	111.7	P276 N283 Q307 T308 L309 K315	P276-K311 HydrophobicContact CB-CB 4.49Å; P276-K311 HydrophobicContact CB-CD 3.86Å; P276-K311 HydrophobicContact CG-CD 3.79Å; N283-K311 WeakPolarHBondContact O-CE 3.43Å; N283-K311 PolarHBondContact O-NZ 3.31Å; N283-K311 WeakPolarHBondContact OD1-CE 3.38Å; N283-K311 PolarHBondContact OD1-NZ 3.39Å; Q307-K311 WeakPolarHBondContact O-CB 3.46Å; Q307-K311 PolarHBondContact O-N 2.89Å; Q307-K311 VanDerWaalsContact O-N 3.14Å; T308-K311 PolarHBondContact O-N 3.28Å; L309-K311 VanDerWaalsContact C-N 3.31Å; L309-K311 PolarHBondContact O-N 3.31Å; K311-K315 VanDerWaalsContact O-CB 3.28Å; K311-K315 WeakPolarHBondContact O-CB 3.45Å; K311-K315 WeakPolarHBondContact O-CG 3.42Å; K311-K315 PolarHBondContact O-N 2.87Å; K311-K315 VanDerWaalsContact O-N 3.14Å
312	I	97.6	Very high	95.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-52.8	176.5	-66.7	162.9	0	0	0	109.8	L288 L289 I292 T308 L309 D310 K315 L316 F322	L288-I312 HydrophobicContact CB-CD1 3.57Å; L288-I312 HydrophobicContact CB-CG1 4.43Å; L288-I312 HydrophobicContact CD1-CD1 4.31Å; L288-I312 HydrophobicContact CD1-CG1 4.45Å; L289-I312 HydrophobicContact CD1-CG2 4.28Å; L289-I312 HydrophobicContact CD2-CD1 4.16Å; L289-I312 HydrophobicContact CD2-CG2 4.25Å; L289-I312 HydrophobicContact CG-CD1 4.27Å; L289-I312 HydrophobicContact CG-CG2 4.16Å; I292-I312 HydrophobicContact CD1-CD1 4.23Å; T308-I312 HydrophobicContact CG2-CD1 4.01Å; T308-I312 VanDerWaalsContact O-CG1 3.31Å; T308-I312 WeakPolarHBondContact O-CG1 3.42Å; T308-I312 PolarHBondContact O-N 2.83Å; L309-I312 PolarHBondContact O-N 3.32Å; D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 2.93Å; I312-K315 PolarHBondContact O-N 2.85Å; I312-L316 HydrophobicContact CG2-CD1 4.34Å; I312-L316 WeakPolarHBondContact O-CA 3.4Å; I312-L316 VanDerWaalsContact O-CB 3.29Å; I312-L316 WeakPolarHBondContact O-CB 3.47Å; I312-L316 PolarHBondContact O-N 3.21Å; I312-F322 HydrophobicContact CG2-CD1 3.92Å; I312-F322 HydrophobicContact CG2-CE1 3.89Å
313	V	97.6	Very high	96.1	Very high	35 Å²	35	47.8 Å²	47.8	21%	0.212	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-51	-178.6	174.1	0	0	0	0	110.9	L309 D310 K315 R317 F322 M364	L309-V313 HydrophobicContact CG-CG2 4.43Å; L309-V313 WeakPolarHBondContact O-CG2 3.43Å; L309-V313 PolarHBondContact O-N 2.89Å; D310-V313 PolarHBondContact O-N 3.31Å; V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 PolarHBondContact O-N 3.32Å; V313-R317 HydrophobicContact CG1-CB 4.4Å; V313-R317 WeakPolarHBondContact O-CB 3.45Å; V313-R317 PolarHBondContact O-N 3.49Å; V313-F322 HydrophobicContact CG2-CE1 4.09Å; V313-F322 HydrophobicContact CG2-CZ 4.15Å; V313-M364 HydrophobicContact CG2-CE 4.44Å
314	R	96.1	Very high	96.2	Very high	153 Å²	153	45.1 Å²	45.1	58%	0.577	21%	0.213	S	C	*	.	H	α-helix	trans	-63.7	-31.5	-176.8	-178	172.3	56	98.9	1.4	113.7	D310	D310-R314 WeakPolarHBondContact O-CB 3.37Å; D310-R314 PolarHBondContact O-N 3.38Å; D310-R314 IonicContact OD2-NE 2.91Å
315	K	94	Very high	96.3	Very high	73 Å²	73	44.5 Å²	44.5	32%	0.317	21%	0.21	S	C	.	.	H	α-helix	trans	-100.2	-31.2	-174.3	-66.5	-65.2	-172	177.6	0	114	T284 K311 I312 V313	T284-K315 HydrophobicContact CG2-CB 3.84Å; T284-K315 HydrophobicContact CG2-CG 4.28Å; K311-K315 VanDerWaalsContact O-CB 3.28Å; K311-K315 WeakPolarHBondContact O-CB 3.45Å; K311-K315 WeakPolarHBondContact O-CG 3.42Å; K311-K315 PolarHBondContact O-N 2.87Å; K311-K315 VanDerWaalsContact O-N 3.14Å; I312-K315 PolarHBondContact O-N 2.85Å; V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 PolarHBondContact O-N 3.32Å
316	L	96.4	Very high	96.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-115	-19.4	-168.3	-56.2	-178.3	0	0	0	113.8	T284 A286 I312 G318 F322 K323 L326	T284-L316 HydrophobicContact CG2-CD1 4.15Å; T284-L316 HydrophobicContact CG2-CD2 4.18Å; T284-L316 HydrophobicContact CG2-CG 4.05Å; A286-L316 HydrophobicContact CB-CD1 4.25Å; I312-L316 HydrophobicContact CG2-CD1 4.34Å; I312-L316 WeakPolarHBondContact O-CA 3.4Å; I312-L316 VanDerWaalsContact O-CB 3.29Å; I312-L316 WeakPolarHBondContact O-CB 3.47Å; I312-L316 PolarHBondContact O-N 3.21Å; L316-G318 PolarHBondContact O-N 3.39Å; L316-F322 HydrophobicContact CB-CB 4.47Å; L316-F322 HydrophobicContact CB-CD1 4.09Å; L316-F322 CarbonylContact O-C 3.5Å; L316-F322 VanDerWaalsContact O-CA 3.28Å; L316-F322 WeakPolarHBondContact O-CA 3.36Å; L316-K323 HydrophobicContact CB-CB 4.45Å; L316-K323 HydrophobicContact CD2-CB 4.22Å; L316-K323 PolarHBondContact O-N 2.87Å; L316-L326 HydrophobicContact CD2-CD2 4.23Å; L316-L326 HydrophobicContact CD2-CG 4.14Å
317	R	96.4	Very high	95.9	Very high	97 Å²	97	44.8 Å²	44.8	37%	0.366	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-64.5	125.2	178.3	-177.7	179.6	167.8	176	0.7	110.5	V313 F322 E379	V313-R317 HydrophobicContact CG1-CB 4.4Å; V313-R317 WeakPolarHBondContact O-CB 3.45Å; V313-R317 PolarHBondContact O-N 3.49Å; R317-F322 HydrophobicContact CB-CD1 4.33Å; R317-F322 HydrophobicContact CB-CE1 3.97Å; R317-F322 HydrophobicContact CB-CE2 4.24Å; R317-F322 HydrophobicContact CB-CZ 3.92Å; R317-F322 HydrophobicContact CG-CE2 4.12Å; R317-F322 HydrophobicContact CG-CZ 4.13Å; R317-E379 IonicContact CZ-OE1 2.77Å; R317-E379 VanDerWaalsContact CZ-OE1 3.23Å; R317-E379 IonicContact NH1-OE1 2.85Å; R317-E379 PolarHBondContact NH1-OE1 3.34Å; R317-E379 IonicContact NH2-OE1 3.59Å; R317-E379 PolarHBondContact NH2-OE1 3.04Å
318	G	94.7	Very high	95.7	Very high	20 Å²	20	39.6 Å²	39.6	21%	0.206	18%	0.18	C	C	.	.			trans	-115	-165.1	170.3	0	0	0	0	0	111.8	L316 G321	L316-G318 PolarHBondContact O-N 3.39Å; G318-G321 CarbonylContact C-O 3.53Å; G318-G321 VanDerWaalsContact CA-O 3.32Å; G318-G321 WeakPolarHBondContact CA-O 3.34Å; G318-G321 PolarHBondContact N-O 3.23Å
319	K	94.2	Very high	95.5	Very high	156 Å²	156	39.6 Å²	39.6	68%	0.678	18%	0.18	S	C	*	.	S	Bend	trans	-83.5	-30	-177.5	-175.3	175.6	-179.2	176.4	0	112.8	E356	K319-E356 PolarHBondContact N-OE2 3.12Å
320	Y	95.6	Very high	95.3	Very high	26 Å²	26	40.4 Å²	40.4	10%	0.102	18%	0.182	C	C	.	.	S	Bend	trans	-110.8	3.3	-175.1	-56.3	-91	0	0	0	112.7	E356 P358 I387 Y402 K420 R421	Y320-E356 WeakPolarHBondContact CA-OE2 3.43Å; Y320-E356 WeakPolarHBondContact CB-OE2 3.5Å; Y320-E356 WeakPolarHBondContact CD2-OE2 3.43Å; Y320-E356 PolarHBondContact N-OE2 2.89Å; Y320-P358 WeakPolarHBondContact O-CG 3.42Å; Y320-I387 HydrophobicContact CD1-CG2 3.72Å; Y320-I387 HydrophobicContact CE1-CG2 4.32Å; Y320-I387 WeakPolarHBondContact O-CD1 3.45Å; Y320-Y402 AromaticContact CD1-CD1 3.48Å; Y320-Y402 HydrophobicContact CD1-CD1 3.48Å; Y320-Y402 VanDerWaalsContact CD1-CD1 3.48Å; Y320-Y402 HydrophobicContact CD1-CD2 4.45Å; Y320-Y402 AromaticContact CD1-CE1 3.66Å; Y320-Y402 HydrophobicContact CD1-CE1 3.66Å; Y320-Y402 AromaticContact CD1-CG 3.92Å; Y320-Y402 HydrophobicContact CD1-CG 3.92Å; Y320-Y402 HydrophobicContact CE1-CD1 4.09Å; Y320-Y402 HydrophobicContact CE1-CE1 4.16Å; Y320-Y402 AromaticContact CG-CD1 3.86Å; Y320-Y402 HydrophobicContact CG-CD1 3.86Å; Y320-Y402 HydrophobicContact CG-CD2 4.46Å; Y320-Y402 HydrophobicContact CG-CE1 4.44Å; Y320-Y402 AromaticContact CG-CG 3.88Å; Y320-Y402 HydrophobicContact CG-CG 3.88Å; Y320-K420 WeakPolarHBondContact OH-CG 3.33Å; Y320-R421 HydrophobicContact CD2-CB 3.87Å; Y320-R421 HydrophobicContact CD2-CG 4.21Å; Y320-R421 HydrophobicContact CE2-CB 3.79Å; Y320-R421 HydrophobicContact CE2-CG 4.12Å; Y320-R421 HydrophobicContact CG-CB 4.46Å
321	G	96.7	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	151.1	-159.6	-177.6	0	0	0	0	0	111.3	G318 F357 F361	G318-G321 CarbonylContact C-O 3.53Å; G318-G321 VanDerWaalsContact CA-O 3.32Å; G318-G321 WeakPolarHBondContact CA-O 3.34Å; G318-G321 PolarHBondContact N-O 3.23Å; G321-F357 WeakPolarHBondContact CA-O 3.4Å; G321-F361 VanDerWaalsContact CA-CZ 3.48Å; G321-F361 VanDerWaalsContact N-CZ 3.3Å
322	F	98	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.3	173.7	-71.9	-126.3	0	0	0	110.2	I312 V313 L316 R317 F357 F360 F361 M364 Y380	I312-F322 HydrophobicContact CG2-CD1 3.92Å; I312-F322 HydrophobicContact CG2-CE1 3.89Å; V313-F322 HydrophobicContact CG2-CE1 4.09Å; V313-F322 HydrophobicContact CG2-CZ 4.15Å; L316-F322 HydrophobicContact CB-CB 4.47Å; L316-F322 HydrophobicContact CB-CD1 4.09Å; L316-F322 CarbonylContact O-C 3.5Å; L316-F322 VanDerWaalsContact O-CA 3.28Å; L316-F322 WeakPolarHBondContact O-CA 3.36Å; R317-F322 HydrophobicContact CB-CD1 4.33Å; R317-F322 HydrophobicContact CB-CE1 3.97Å; R317-F322 HydrophobicContact CB-CE2 4.24Å; R317-F322 HydrophobicContact CB-CZ 3.92Å; R317-F322 HydrophobicContact CG-CE2 4.12Å; R317-F322 HydrophobicContact CG-CZ 4.13Å; F322-F357 PolarHBondContact N-O 2.92Å; F322-F357 PolarHBondContact O-N 3.28Å; F322-F360 HydrophobicContact CB-CB 3.7Å; F322-F360 HydrophobicContact CB-CD2 3.81Å; F322-F360 HydrophobicContact CB-CG 4.03Å; F322-F360 HydrophobicContact CD2-CB 3.7Å; F322-F360 HydrophobicContact CG-CB 3.79Å; F322-F361 AromaticContact CD2-CD1 3.84Å; F322-F361 HydrophobicContact CD2-CD1 3.84Å; F322-F361 AromaticContact CD2-CE1 3.81Å; F322-F361 HydrophobicContact CD2-CE1 3.81Å; F322-F361 AromaticContact CE2-CD1 3.62Å; F322-F361 HydrophobicContact CE2-CD1 3.62Å; F322-F361 AromaticContact CE2-CE1 3.63Å; F322-F361 HydrophobicContact CE2-CE1 3.63Å; F322-M364 HydrophobicContact CE2-CG 4.3Å; F322-M364 HydrophobicContact CZ-CG 4.16Å; F322-Y380 AromaticContact CE2-CE1 3.96Å; F322-Y380 HydrophobicContact CE2-CE1 3.96Å; F322-Y380 HydrophobicContact CZ-CE1 4.28Å
323	K	97.1	Very high	94.6	Very high	34 Å²	34	41.6 Å²	41.6	15%	0.148	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	148.8	163.5	-59.5	175.6	-178.6	-168.7	0	108.8	L316 E354 E356	L316-K323 HydrophobicContact CB-CB 4.45Å; L316-K323 HydrophobicContact CD2-CB 4.22Å; L316-K323 PolarHBondContact O-N 2.87Å; K323-E354 HydrophobicContact CD-CB 3.89Å; K323-E354 HydrophobicContact CD-CG 4.3Å; K323-E354 WeakPolarHBondContact CE-OE2 3.49Å; K323-E354 HydrophobicContact CG-CB 4.05Å; K323-E354 IonicContact NZ-OE1 3.32Å; K323-E354 IonicContact NZ-OE2 3.23Å; K323-E354 PolarHBondContact NZ-OE2 2.77Å; K323-E356 HydrophobicContact CG-CG 4.41Å
324	R	96.2	Very high	94.3	Very high	9 Å²	9	42.6 Å²	42.6	3%	0.034	19%	0.191	C	C	.	.	S	Bend	trans	-65.2	-52.5	173.4	-61.4	-171.8	-59.1	154.5	18.2	110.1	W213 D285 A286 D328 F357	W213-R324 HydrophobicContact CH2-CG 4.06Å; W213-R324 HydrophobicContact CZ2-CB 3.97Å; W213-R324 HydrophobicContact CZ2-CG 3.77Å; D285-R324 CarbonylContact C-O 3.52Å; D285-R324 WeakPolarHBondContact CA-O 3.12Å; D285-R324 VanDerWaalsContact OD1-O 3.14Å; A286-R324 PolarHBondContact N-O 2.95Å; R324-D328 IonicContact CZ-OD1 3.91Å; R324-D328 IonicContact CZ-OD2 3.54Å; R324-D328 IonicContact NE-OD2 3.3Å; R324-D328 PolarHBondContact NE-OD2 3.3Å; R324-D328 IonicContact NH2-OD1 2.94Å; R324-D328 PolarHBondContact NH2-OD1 3.13Å; R324-D328 IonicContact NH2-OD2 2.87Å; R324-D328 PolarHBondContact NH2-OD2 3.4Å; R324-F357 HydrophobicContact CG-CD2 3.77Å; R324-F357 HydrophobicContact CG-CE1 4.43Å; R324-F357 HydrophobicContact CG-CE2 3.53Å; R324-F357 HydrophobicContact CG-CG 4.35Å; R324-F357 HydrophobicContact CG-CZ 3.89Å
325	F	94.7	Very high	94.2	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	17%	0.169	C	C	.	.	S	Bend	trans	-155	171	170.6	52.6	-92.1	0	0	0	109.5	W213 K218 H282 D285 D328	W213-F325 AromaticContact CD1-CD1 3.99Å; W213-F325 AromaticContact CD1-CE1 3.92Å; K218-F325 HydrophobicContact CG-CD2 4.07Å; K218-F325 HydrophobicContact CG-CE2 3.88Å; H282-F325 AromaticContact CD2-CD1 3.73Å; H282-F325 AromaticContact CD2-CD2 3.74Å; H282-F325 AromaticContact CD2-CG 3.51Å; H282-F325 AromaticContact NE2-CD1 3.85Å; H282-F325 AromaticContact NE2-CD2 3.94Å; H282-F325 AromaticContact NE2-CE1 3.78Å; H282-F325 AromaticContact NE2-CE2 3.87Å; H282-F325 AromaticContact NE2-CG 3.94Å; H282-F325 AromaticContact NE2-CZ 3.79Å; D285-F325 VanDerWaalsContact OD2-CD1 3.29Å; D285-F325 WeakPolarHBondContact OD2-CD1 3.44Å; F325-D328 HydrophobicContact CD1-CB 4.38Å; F325-D328 HydrophobicContact CD2-CB 3.77Å; F325-D328 HydrophobicContact CE1-CB 4.19Å; F325-D328 HydrophobicContact CE2-CB 3.56Å; F325-D328 HydrophobicContact CG-CB 4.18Å; F325-D328 HydrophobicContact CZ-CB 3.78Å; F325-D328 WeakPolarHBondContact CZ-OD1 3.26Å; F325-D328 WeakPolarHBondContact O-CB 3.41Å
326	L	91.9	Very high	93.9	Very high	53 Å²	53	35.8 Å²	35.8	28%	0.277	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	139.5	-178.8	-64.9	171.6	0	0	0	111.8	K218 L316 D328	K218-L326 WeakPolarHBondContact CE-O 3.25Å; L316-L326 HydrophobicContact CD2-CD2 4.23Å; L316-L326 HydrophobicContact CD2-CG 4.14Å; L326-D328 PolarHBondContact O-N 2.96Å
327	R	91.6	Very high	93.4	Very high	26 Å²	26	43.6 Å²	43.6	10%	0.098	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	33.4	-174.8	-58.6	-172.4	177.7	169.8	1.4	113.9	G329 M347 D351 E354 M964 T965	R327-G329 PolarHBondContact O-N 2.72Å; R327-M347 HydrophobicContact CB-CB 4.49Å; R327-M347 HydrophobicContact CB-CE 4.34Å; R327-D351 HydrophobicContact CG-CB 4.04Å; R327-D351 IonicContact CZ-OD2 2.78Å; R327-D351 IonicContact NE-OD2 3.3Å; R327-D351 PolarHBondContact NE-OD2 3.13Å; R327-D351 IonicContact NH2-OD2 2.82Å; R327-D351 PolarHBondContact NH2-OD2 3.02Å; R327-E354 PolarHBondContact N-OE1 3.07Å; R327-M964 PolarHBondContact NH1-O 2.68Å; R327-T965 VanDerWaalsContact CZ-CG2 3.48Å
328	D	93.6	Very high	93	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.226	C	C	.	.			trans	-76.2	116.6	171.5	-179.5	19.7	0	0	0	110.8	R324 F325 L326 Y330	R324-D328 IonicContact CZ-OD1 3.91Å; R324-D328 IonicContact CZ-OD2 3.54Å; R324-D328 IonicContact NE-OD2 3.3Å; R324-D328 PolarHBondContact NE-OD2 3.3Å; R324-D328 IonicContact NH2-OD1 2.94Å; R324-D328 PolarHBondContact NH2-OD1 3.13Å; R324-D328 IonicContact NH2-OD2 2.87Å; R324-D328 PolarHBondContact NH2-OD2 3.4Å; F325-D328 HydrophobicContact CD1-CB 4.38Å; F325-D328 HydrophobicContact CD2-CB 3.77Å; F325-D328 HydrophobicContact CE1-CB 4.19Å; F325-D328 HydrophobicContact CE2-CB 3.56Å; F325-D328 HydrophobicContact CG-CB 4.18Å; F325-D328 HydrophobicContact CZ-CB 3.78Å; F325-D328 WeakPolarHBondContact CZ-OD1 3.26Å; F325-D328 WeakPolarHBondContact O-CB 3.41Å; L326-D328 PolarHBondContact O-N 2.96Å; D328-Y330 VanDerWaalsContact C-N 3.34Å; D328-Y330 WeakPolarHBondContact OD1-CB 3.43Å; D328-Y330 PolarHBondContact OD1-N 3.29Å
329	G	93.1	Very high	92.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.			trans	-81.4	-10.2	179.3	0	0	0	0	0	114.5	R327 R331 T332 E335 Y342	R327-G329 PolarHBondContact O-N 2.72Å; G329-R331 PolarHBondContact O-N 3.37Å; G329-T332 WeakPolarHBondContact O-CB 3.33Å; G329-T332 WeakPolarHBondContact O-CG2 3.35Å; G329-T332 PolarHBondContact O-N 3.34Å; G329-T332 PolarHBondContact O-OG1 3.48Å; G329-E335 WeakPolarHBondContact O-CB 3.37Å; G329-E335 VanDerWaalsContact O-CD 3.26Å; G329-Y342 VanDerWaalsContact C-OH 3.28Å; G329-Y342 WeakPolarHBondContact CA-OH 3.26Å; G329-Y342 PolarHBondContact N-OH 3.37Å
330	Y	92.7	Very high	92.3	Very high	40 Å²	40	45.7 Å²	45.7	16%	0.157	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	118.5	-172.1	177.2	-92.9	0	0	0	112.9	D328 T332 E335 Y342 C355 F357 Y401	D328-Y330 VanDerWaalsContact C-N 3.34Å; D328-Y330 WeakPolarHBondContact OD1-CB 3.43Å; D328-Y330 PolarHBondContact OD1-N 3.29Å; Y330-T332 PolarHBondContact O-N 3.36Å; Y330-T332 VanDerWaalsContact O-N 3.13Å; Y330-E335 WeakPolarHBondContact CA-OE1 3.18Å; Y330-E335 WeakPolarHBondContact CA-OE2 3.26Å; Y330-Y342 PolarHBondContact N-OH 3.08Å; Y330-C355 PolarHBondContact O-SG 3.26Å; Y330-F357 AromaticContact CD1-CZ 3.9Å; Y330-F357 HydrophobicContact CD1-CZ 3.9Å; Y330-F357 HydrophobicContact CE1-CE1 4.47Å; Y330-F357 HydrophobicContact CE1-CZ 4.07Å; Y330-Y401 HydrophobicContact CE1-CD1 4.44Å; Y330-Y401 HydrophobicContact CE1-CE1 4.42Å
331	R	91	Very high	92.1	Very high	108 Å²	108	48.7 Å²	48.7	41%	0.408	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	14.9	179.8	-58.6	-67.1	-173.1	176.8	-0.6	115.1	G329 E335 Y401	G329-R331 PolarHBondContact O-N 3.37Å; R331-E335 PolarHBondContact N-OE2 3.01Å; R331-Y401 HydrophobicContact CB-CD2 4.42Å; R331-Y401 HydrophobicContact CB-CE1 3.94Å; R331-Y401 HydrophobicContact CB-CE2 3.67Å; R331-Y401 VanDerWaalsContact CB-CZ 3.4Å; R331-Y401 WeakPolarHBondContact CB-OH 3.38Å; R331-Y401 HydrophobicContact CG-CE1 3.8Å; R331-Y401 HydrophobicContact CG-CE2 4.42Å; R331-Y401 WeakPolarHBondContact CG-OH 3.28Å
332	T	93.1	Very high	91.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	23%	0.228	C	C	.	.			trans	-65.9	158.5	166	66.6	0	0	0	0	110.1	G329 Y330 N334 E335 F350 I353	G329-T332 WeakPolarHBondContact O-CB 3.33Å; G329-T332 WeakPolarHBondContact O-CG2 3.35Å; G329-T332 PolarHBondContact O-N 3.34Å; G329-T332 PolarHBondContact O-OG1 3.48Å; Y330-T332 PolarHBondContact O-N 3.36Å; Y330-T332 VanDerWaalsContact O-N 3.13Å; T332-N334 PolarHBondContact O-N 3.48Å; T332-E335 PolarHBondContact O-N 3.13Å; T332-E335 PolarHBondContact OG1-N 3.1Å; T332-F350 WeakPolarHBondContact OG1-CD1 3.49Å; T332-I353 HydrophobicContact CG2-CG1 4.42Å
333	A	91.3	Very high	91.3	Very high	37 Å²	37	56.3 Å²	56.3	31%	0.306	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27	178.8	0	0	0	0	0	113.1	A406 V409	A333-A406 HydrophobicContact CB-CB 4.06Å; A333-V409 HydrophobicContact CB-CG2 3.72Å
334	N	92.6	Very high	90.5	Very high	55 Å²	55	60 Å²	60	29%	0.294	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.5	-179.3	-69.6	-7.3	0	0	0	113.6	T332 L349 F350 I353 V409	T332-N334 PolarHBondContact O-N 3.48Å; N334-L349 HydrophobicContact CB-CB 4.34Å; N334-L349 PolarHBondContact ND2-O 3.03Å; N334-F350 HydrophobicContact CB-CD1 4.13Å; N334-F350 HydrophobicContact CB-CE1 4.02Å; N334-I353 HydrophobicContact CB-CD1 4.14Å; N334-I353 WeakPolarHBondContact ND2-CD1 3.46Å; N334-V409 WeakPolarHBondContact ND2-CG1 3.4Å
335	E	92.5	Very high	89.7	Confident	24 Å²	24	61.2 Å²	61.2	11%	0.112	30%	0.296	C	S	.	.	S	Bend	trans	-75.3	127.6	179.4	-178.5	-179.6	-123.8	0	0	111.4	R215 G329 Y330 R331 T332 K337 Y342 F350	R215-E335 IonicContact CZ-OE1 2.81Å; R215-E335 IonicContact NH1-OE1 3.54Å; R215-E335 IonicContact NH2-OE1 2.7Å; R215-E335 PolarHBondContact NH2-OE1 3.19Å; G329-E335 WeakPolarHBondContact O-CB 3.37Å; G329-E335 VanDerWaalsContact O-CD 3.26Å; Y330-E335 WeakPolarHBondContact CA-OE1 3.18Å; Y330-E335 WeakPolarHBondContact CA-OE2 3.26Å; R331-E335 PolarHBondContact N-OE2 3.01Å; T332-E335 PolarHBondContact O-N 3.13Å; T332-E335 PolarHBondContact OG1-N 3.1Å; E335-K337 PolarHBondContact O-N 3.39Å; E335-K337 VanDerWaalsContact O-N 3.15Å; E335-Y342 HydrophobicContact CG-CE1 4.14Å; E335-Y342 WeakPolarHBondContact OE1-CE1 3.38Å; E335-Y342 PolarHBondContact OE1-OH 3.49Å; E335-F350 HydrophobicContact CB-CE1 4.18Å; E335-F350 HydrophobicContact CB-CZ 4.37Å
336	D	89.3	Confident	89.4	Confident	59 Å²	59	61.9 Å²	61.9	32%	0.316	30%	0.299	S	S	.	.			trans	-68	108.2	173.1	-177.2	-5	0	0	0	111	N338 R339	D336-N338 PolarHBondContact O-N 2.92Å; D336-N338 PolarHBondContact OD1-N 3.47Å; D336-R339 HydrophobicContact CB-CB 4.41Å; D336-R339 PolarHBondContact O-N 3.47Å; D336-R339 IonicContact OD2-CZ 2.82Å; D336-R339 IonicContact OD2-NE 3.21Å; D336-R339 PolarHBondContact OD2-NE 3.16Å; D336-R339 IonicContact OD2-NH2 3.43Å; D336-R339 PolarHBondContact OD2-NH2 2.85Å
337	K	85.4	Confident	89.1	Confident	165 Å²	165	59.6 Å²	59.6	72%	0.717	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.5	-176.7	-61	176.4	-173.1	170.2	0	113.7	E335	E335-K337 PolarHBondContact O-N 3.39Å; E335-K337 VanDerWaalsContact O-N 3.15Å
338	N	88.3	Confident	88.8	Confident	160 Å²	160	62.9 Å²	62.9	86%	0.856	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.3	-174.8	-62.7	-35	0	0	0	112.7	D336	D336-N338 PolarHBondContact O-N 2.92Å; D336-N338 PolarHBondContact OD1-N 3.47Å
339	R	89.1	Confident	88.6	Confident	75 Å²	75	67 Å²	67	28%	0.283	32%	0.323	S	S	.	.			trans	-128.6	137.6	-173.5	-177.2	171.5	40.3	96.9	4.7	111.1	D336 Y341 Y342 K343 E346	D336-R339 HydrophobicContact CB-CB 4.41Å; D336-R339 PolarHBondContact O-N 3.47Å; D336-R339 IonicContact OD2-CZ 2.82Å; D336-R339 IonicContact OD2-NE 3.21Å; D336-R339 PolarHBondContact OD2-NE 3.16Å; D336-R339 IonicContact OD2-NH2 3.43Å; D336-R339 PolarHBondContact OD2-NH2 2.85Å; R339-Y341 WeakPolarHBondContact CD-O 3.46Å; R339-Y341 WeakPolarHBondContact CG-O 3.28Å; R339-Y341 PolarHBondContact NH1-O 3.22Å; R339-Y342 VanDerWaalsContact NH1-CA 3.32Å; R339-K343 VanDerWaalsContact NH1-CG 3.27Å; R339-E346 IonicContact CZ-OE1 3.51Å; R339-E346 IonicContact CZ-OE2 2.81Å; R339-E346 VanDerWaalsContact CZ-OE2 3.31Å; R339-E346 IonicContact NH1-OE1 3.45Å; R339-E346 IonicContact NH1-OE2 2.76Å; R339-E346 PolarHBondContact NH1-OE2 3.46Å; R339-E346 IonicContact NH2-OE1 2.72Å; R339-E346 PolarHBondContact NH2-OE1 3.48Å; R339-E346 IonicContact NH2-OE2 3.39Å; R339-E346 PolarHBondContact NH2-OE2 3.25Å
340	R	84.4	Confident	88.6	Confident	83 Å²	83	67 Å²	67	31%	0.313	32%	0.323	S	S	.	.	S	Bend	trans	-76.8	-42.2	-178	-172.2	175.5	-177.2	-176.8	-0.8	113.3	G157 D158 Y159 H160 N220	G157-R340 PolarHBondContact O-NH1 3.49Å; D158-R340 VanDerWaalsContact C-NH1 3.25Å; D158-R340 VanDerWaalsContact O-CZ 3.31Å; D158-R340 PolarHBondContact O-NH1 3.38Å; D158-R340 PolarHBondContact O-NH2 2.86Å; Y159-R340 VanDerWaalsContact CA-NH2 3.33Å; H160-R340 PolarHBondContact CD2-NH2 2.96Å; H160-R340 PolarHBondContact CE1-NH2 2.67Å; H160-R340 VanDerWaalsContact CE1-NH2 3.34Å; H160-R340 VanDerWaalsContact N-NH2 3.19Å; H160-R340 PolarHBondContact ND1-NH2 3.24Å; H160-R340 PolarHBondContact NE2-NH2 3.01Å; N220-R340 PolarHBondContact ND2-O 3Å
341	Y	91.1	Very high	88.5	Confident	88 Å²	88	67.5 Å²	67.5	35%	0.345	33%	0.329	S	S	.	.	S	Bend	trans	-108.9	147.7	-172.2	-59	-51.2	0	0	0	112.1	H160 N220 G222 R339	H160-Y341 AromaticContact CE1-CE1 3.83Å; H160-Y341 AromaticContact NE2-CE1 3.84Å; N220-Y341 CarbonylContact O-C 3.6Å; N220-Y341 WeakPolarHBondContact O-CA 3.43Å; N220-Y341 VanDerWaalsContact O-CB 3.24Å; N220-Y341 WeakPolarHBondContact O-CB 3.41Å; N220-Y341 WeakPolarHBondContact O-CD1 3.26Å; G222-Y341 VanDerWaalsContact N-CE1 3.31Å; R339-Y341 WeakPolarHBondContact CD-O 3.46Å; R339-Y341 WeakPolarHBondContact CG-O 3.28Å; R339-Y341 PolarHBondContact NH1-O 3.22Å
342	Y	90.6	Very high	88.4	Confident	26 Å²	26	62.6 Å²	62.6	10%	0.102	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-73.9	153.4	177.1	-59.9	-29.4	0	0	0	112.9	R215 Y219 N220 G329 Y330 E335 R339 E346 M347 F350	R215-Y342 PolarHBondContact NH1-OH 3.43Å; Y219-Y342 WeakPolarHBondContact O-CB 3.11Å; Y219-Y342 WeakPolarHBondContact O-CD2 3.12Å; N220-Y342 HydrophobicContact CB-CD2 3.87Å; N220-Y342 HydrophobicContact CB-CE2 4.03Å; N220-Y342 HydrophobicContact CB-CG 4.28Å; N220-Y342 PolarHBondContact O-N 2.73Å; N220-Y342 VanDerWaalsContact O-N 3.16Å; G329-Y342 VanDerWaalsContact C-OH 3.28Å; G329-Y342 WeakPolarHBondContact CA-OH 3.26Å; G329-Y342 PolarHBondContact N-OH 3.37Å; Y330-Y342 PolarHBondContact N-OH 3.08Å; E335-Y342 HydrophobicContact CG-CE1 4.14Å; E335-Y342 WeakPolarHBondContact OE1-CE1 3.38Å; E335-Y342 PolarHBondContact OE1-OH 3.49Å; R339-Y342 VanDerWaalsContact NH1-CA 3.32Å; Y342-E346 VanDerWaalsContact CA-OE2 3.26Å; Y342-E346 WeakPolarHBondContact CA-OE2 3.4Å; Y342-M347 HydrophobicContact CD2-CG 4.03Å; Y342-M347 HydrophobicContact CE2-CG 4.49Å; Y342-F350 HydrophobicContact CD1-CE2 4.25Å; Y342-F350 HydrophobicContact CD1-CZ 4.42Å; Y342-F350 HydrophobicContact CD2-CE2 4.16Å; Y342-F350 AromaticContact CE1-CE2 3.92Å; Y342-F350 HydrophobicContact CE1-CE2 3.92Å; Y342-F350 HydrophobicContact CE1-CZ 4.09Å; Y342-F350 HydrophobicContact CE2-CD2 4.42Å; Y342-F350 AromaticContact CE2-CE2 3.8Å; Y342-F350 HydrophobicContact CE2-CE2 3.8Å; Y342-F350 HydrophobicContact CG-CE2 4.35Å; Y342-F350 AromaticContact CZ-CE2 3.62Å
343	K	88.1	Confident	88.5	Confident	134 Å²	134	62.5 Å²	62.5	58%	0.583	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-82.8	157.4	169.3	-61.9	-166.1	-177	169.7	0	108.4	R339 A345 E346	R339-K343 VanDerWaalsContact NH1-CG 3.27Å; K343-A345 PolarHBondContact O-N 3.45Å; K343-E346 HydrophobicContact CB-CB 4.32Å; K343-E346 PolarHBondContact N-OE2 3.24Å; K343-E346 VanDerWaalsContact O-CB 3.25Å; K343-E346 WeakPolarHBondContact O-CB 3.43Å; K343-E346 PolarHBondContact O-N 3.4Å
344	P	81.1	Confident	88.7	Confident	111 Å²	111	60.8 Å²	60.8	72%	0.721	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	141.5	162.5	-25.2	35.1	0	0	0	110.6	E346	P344-E346 PolarHBondContact O-N 2.86Å
345	A	79.3	Confident	88.8	Confident	35 Å²	35	58.1 Å²	58.1	29%	0.289	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	-6.5	-177.9	0	0	0	0	0	117.6	K343 M347 K348 D963	K343-A345 PolarHBondContact O-N 3.45Å; A345-M347 PolarHBondContact O-N 2.75Å; A345-K348 PolarHBondContact O-N 3.14Å; A345-D963 WeakPolarHBondContact CA-OD1 3.5Å; A345-D963 WeakPolarHBondContact CB-OD1 3.39Å; A345-D963 PolarHBondContact N-OD1 2.69Å
346	E	86.5	Confident	89	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.079	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.9	-32.3	-176.6	-165.7	176.1	-175.2	0	0	112.2	R339 Y342 K343 P344 K348 L349 F350	R339-E346 IonicContact CZ-OE1 3.51Å; R339-E346 IonicContact CZ-OE2 2.81Å; R339-E346 VanDerWaalsContact CZ-OE2 3.31Å; R339-E346 IonicContact NH1-OE1 3.45Å; R339-E346 IonicContact NH1-OE2 2.76Å; R339-E346 PolarHBondContact NH1-OE2 3.46Å; R339-E346 IonicContact NH2-OE1 2.72Å; R339-E346 PolarHBondContact NH2-OE1 3.48Å; R339-E346 IonicContact NH2-OE2 3.39Å; R339-E346 PolarHBondContact NH2-OE2 3.25Å; Y342-E346 VanDerWaalsContact CA-OE2 3.26Å; Y342-E346 WeakPolarHBondContact CA-OE2 3.4Å; K343-E346 HydrophobicContact CB-CB 4.32Å; K343-E346 PolarHBondContact N-OE2 3.24Å; K343-E346 VanDerWaalsContact O-CB 3.25Å; K343-E346 WeakPolarHBondContact O-CB 3.43Å; K343-E346 PolarHBondContact O-N 3.4Å; P344-E346 PolarHBondContact O-N 2.86Å; E346-K348 PolarHBondContact O-N 3.2Å; E346-L349 HydrophobicContact CG-CD1 4.28Å; E346-L349 WeakPolarHBondContact O-CB 3.43Å; E346-L349 WeakPolarHBondContact O-CG 3.48Å; E346-L349 PolarHBondContact O-N 2.76Å; E346-F350 HydrophobicContact CG-CE1 4.41Å; E346-F350 HydrophobicContact CG-CE2 4.16Å; E346-F350 HydrophobicContact CG-CZ 3.66Å
347	M	87	Confident	89.4	Confident	5 Å²	5	55 Å²	55	3%	0.025	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.2	-29.1	-178.9	-75	175.5	40	0	0	114.5	K218 Y219 R327 Y342 A345 L349 F350	K218-M347 HydrophobicContact CD-CE 3.55Å; K218-M347 HydrophobicContact CG-CE 3.63Å; K218-M347 HydrophobicContact CG-SD 4.27Å; Y219-M347 HydrophobicContact CD1-CE 4.28Å; Y219-M347 HydrophobicContact CD1-SD 3.44Å; Y219-M347 WeakPolarHBondContact CD1-SD 3.46Å; Y219-M347 HydrophobicContact CE1-CE 4.33Å; Y219-M347 HydrophobicContact CE1-SD 4.06Å; Y219-M347 HydrophobicContact CG-SD 4.18Å; R327-M347 HydrophobicContact CB-CB 4.49Å; R327-M347 HydrophobicContact CB-CE 4.34Å; Y342-M347 HydrophobicContact CD2-CG 4.03Å; Y342-M347 HydrophobicContact CE2-CG 4.49Å; A345-M347 PolarHBondContact O-N 2.75Å; M347-L349 PolarHBondContact O-N 2.95Å; M347-F350 HydrophobicContact CB-CD2 4.5Å; M347-F350 PolarHBondContact O-N 2.97Å; M347-F350 VanDerWaalsContact O-N 3.13Å
348	K	85.6	Confident	89.9	Confident	95 Å²	95	47.2 Å²	47.2	41%	0.413	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.5	-28.7	175.1	-178.7	164.7	175	176.6	0	111.7	A345 E346 F350 D351 S962	A345-K348 PolarHBondContact O-N 3.14Å; E346-K348 PolarHBondContact O-N 3.2Å; K348-F350 PolarHBondContact O-N 3.13Å; K348-D351 WeakPolarHBondContact O-CB 3.4Å; K348-D351 PolarHBondContact O-N 3.2Å; K348-S962 WeakPolarHBondContact CB-O 3.4Å
349	L	89.3	Confident	90.3	Very high	87 Å²	87	39.7 Å²	39.7	46%	0.455	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-67.7	-15.8	177.1	-53.4	177.3	0	0	0	112.5	N334 E346 M347 I353 Q413	N334-L349 HydrophobicContact CB-CB 4.34Å; N334-L349 PolarHBondContact ND2-O 3.03Å; E346-L349 HydrophobicContact CG-CD1 4.28Å; E346-L349 WeakPolarHBondContact O-CB 3.43Å; E346-L349 WeakPolarHBondContact O-CG 3.48Å; E346-L349 PolarHBondContact O-N 2.76Å; M347-L349 PolarHBondContact O-N 2.95Å; L349-I353 VanDerWaalsContact O-CD1 3.32Å; L349-I353 WeakPolarHBondContact O-CD1 3.45Å; L349-Q413 PolarHBondContact O-NE2 3.24Å
350	F	91.9	Very high	90.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-96.5	-10.8	179.1	-47.1	-40.4	0	0	0	112.9	T332 N334 E335 Y342 E346 M347 K348 G352 I353 E354	T332-F350 WeakPolarHBondContact OG1-CD1 3.49Å; N334-F350 HydrophobicContact CB-CD1 4.13Å; N334-F350 HydrophobicContact CB-CE1 4.02Å; E335-F350 HydrophobicContact CB-CE1 4.18Å; E335-F350 HydrophobicContact CB-CZ 4.37Å; Y342-F350 HydrophobicContact CD1-CE2 4.25Å; Y342-F350 HydrophobicContact CD1-CZ 4.42Å; Y342-F350 HydrophobicContact CD2-CE2 4.16Å; Y342-F350 AromaticContact CE1-CE2 3.92Å; Y342-F350 HydrophobicContact CE1-CE2 3.92Å; Y342-F350 HydrophobicContact CE1-CZ 4.09Å; Y342-F350 HydrophobicContact CE2-CD2 4.42Å; Y342-F350 AromaticContact CE2-CE2 3.8Å; Y342-F350 HydrophobicContact CE2-CE2 3.8Å; Y342-F350 HydrophobicContact CG-CE2 4.35Å; Y342-F350 AromaticContact CZ-CE2 3.62Å; E346-F350 HydrophobicContact CG-CE1 4.41Å; E346-F350 HydrophobicContact CG-CE2 4.16Å; E346-F350 HydrophobicContact CG-CZ 3.66Å; M347-F350 HydrophobicContact CB-CD2 4.5Å; M347-F350 PolarHBondContact O-N 2.97Å; M347-F350 VanDerWaalsContact O-N 3.13Å; K348-F350 PolarHBondContact O-N 3.13Å; F350-G352 PolarHBondContact O-N 3.05Å; F350-I353 WeakPolarHBondContact O-CG1 3.19Å; F350-I353 PolarHBondContact O-N 3.39Å; F350-E354 WeakPolarHBondContact O-CG 3.3Å; F350-E354 PolarHBondContact O-N 3.36Å
351	D	90.4	Very high	91.3	Very high	52 Å²	52	32.1 Å²	32.1	28%	0.278	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	128.2	-178.9	-154.5	-9.2	0	0	0	110.3	R327 K348 I353	R327-D351 HydrophobicContact CG-CB 4.04Å; R327-D351 IonicContact CZ-OD2 2.78Å; R327-D351 IonicContact NE-OD2 3.3Å; R327-D351 PolarHBondContact NE-OD2 3.13Å; R327-D351 IonicContact NH2-OD2 2.82Å; R327-D351 PolarHBondContact NH2-OD2 3.02Å; K348-D351 WeakPolarHBondContact O-CB 3.4Å; K348-D351 PolarHBondContact O-N 3.2Å; D351-I353 PolarHBondContact O-N 3.46Å
352	G	89.9	Confident	91.7	Very high	4 Å²	4	28 Å²	28	4%	0.041	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-17.7	-178.5	0	0	0	0	0	115.9	F350 E354 R421	F350-G352 PolarHBondContact O-N 3.05Å; G352-E354 WeakPolarHBondContact CA-OE2 3.23Å; G352-E354 PolarHBondContact N-OE2 3.42Å; G352-E354 VanDerWaalsContact N-OE2 3.16Å; G352-R421 PolarHBondContact O-NH2 2.95Å
353	I	94.6	Very high	92.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	9	-176.8	67.2	163.1	0	0	0	114.1	T332 N334 L349 F350 D351 V404 V409 E412 Q413	T332-I353 HydrophobicContact CG2-CG1 4.42Å; N334-I353 HydrophobicContact CB-CD1 4.14Å; N334-I353 WeakPolarHBondContact ND2-CD1 3.46Å; L349-I353 VanDerWaalsContact O-CD1 3.32Å; L349-I353 WeakPolarHBondContact O-CD1 3.45Å; F350-I353 WeakPolarHBondContact O-CG1 3.19Å; F350-I353 PolarHBondContact O-N 3.39Å; D351-I353 PolarHBondContact O-N 3.46Å; I353-V404 HydrophobicContact CB-CG2 4.31Å; I353-V409 HydrophobicContact CD1-CG1 4.14Å; I353-V409 HydrophobicContact CD1-CG2 4.37Å; I353-V409 HydrophobicContact CG2-CG1 4.38Å; I353-E412 HydrophobicContact CG2-CB 4.13Å; I353-E412 HydrophobicContact CG2-CG 3.86Å; I353-Q413 HydrophobicContact CG2-CG 3.77Å
354	E	95.4	Very high	92.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.			trans	-57.3	145.9	-176.6	-52.2	97.1	132.5	0	0	111.7	K323 R327 F350 G352	K323-E354 HydrophobicContact CD-CB 3.89Å; K323-E354 HydrophobicContact CD-CG 4.3Å; K323-E354 WeakPolarHBondContact CE-OE2 3.49Å; K323-E354 HydrophobicContact CG-CB 4.05Å; K323-E354 IonicContact NZ-OE1 3.32Å; K323-E354 IonicContact NZ-OE2 3.23Å; K323-E354 PolarHBondContact NZ-OE2 2.77Å; R327-E354 PolarHBondContact N-OE1 3.07Å; F350-E354 WeakPolarHBondContact O-CG 3.3Å; F350-E354 PolarHBondContact O-N 3.36Å; G352-E354 WeakPolarHBondContact CA-OE2 3.23Å; G352-E354 PolarHBondContact N-OE2 3.42Å; G352-E354 VanDerWaalsContact N-OE2 3.16Å
355	C	95.9	Very high	93.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.			trans	-69.4	142.1	178.4	-66.2	0	0	0	0	111.6	Y330 F357 Y401 Y402	Y330-C355 PolarHBondContact O-SG 3.26Å; C355-F357 HydrophobicContact CB-CE2 3.84Å; C355-F357 HydrophobicContact CB-CZ 4.47Å; C355-Y401 HydrophobicContact CB-CD2 4.07Å; C355-Y401 HydrophobicContact CB-CG 4.29Å; C355-Y402 VanDerWaalsContact CA-O 3.28Å; C355-Y402 WeakPolarHBondContact CA-O 3.45Å
356	E	96.9	Very high	94.3	Very high	13 Å²	13	13.8 Å²	13.8	6%	0.061	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.2	177.7	-63.7	178.7	-170.4	0	0	110.3	K319 Y320 K323 Y401 Y402 R421	K319-E356 PolarHBondContact N-OE2 3.12Å; Y320-E356 WeakPolarHBondContact CA-OE2 3.43Å; Y320-E356 WeakPolarHBondContact CB-OE2 3.5Å; Y320-E356 WeakPolarHBondContact CD2-OE2 3.43Å; Y320-E356 PolarHBondContact N-OE2 2.89Å; K323-E356 HydrophobicContact CG-CG 4.41Å; E356-Y401 CarbonylContact O-C 3.48Å; E356-Y401 VanDerWaalsContact O-CA 3.24Å; E356-Y401 WeakPolarHBondContact O-CA 3.26Å; E356-Y402 PolarHBondContact N-O 3.36Å; E356-Y402 PolarHBondContact O-N 3.5Å; E356-R421 IonicContact OE1-NE 2.84Å
357	F	96.6	Very high	94.8	Very high	5 Å²	5	13.1 Å²	13.1	2%	0.022	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.1	-171.7	-70.9	-108.7	0	0	0	110.5	G321 F322 R324 Y330 C355 M359 F360 K400 Y401	G321-F357 WeakPolarHBondContact CA-O 3.4Å; F322-F357 PolarHBondContact N-O 2.92Å; F322-F357 PolarHBondContact O-N 3.28Å; R324-F357 HydrophobicContact CG-CD2 3.77Å; R324-F357 HydrophobicContact CG-CE1 4.43Å; R324-F357 HydrophobicContact CG-CE2 3.53Å; R324-F357 HydrophobicContact CG-CG 4.35Å; R324-F357 HydrophobicContact CG-CZ 3.89Å; Y330-F357 AromaticContact CD1-CZ 3.9Å; Y330-F357 HydrophobicContact CD1-CZ 3.9Å; Y330-F357 HydrophobicContact CE1-CE1 4.47Å; Y330-F357 HydrophobicContact CE1-CZ 4.07Å; C355-F357 HydrophobicContact CB-CE2 3.84Å; C355-F357 HydrophobicContact CB-CZ 4.47Å; F357-M359 PolarHBondContact O-N 2.95Å; F357-F360 HydrophobicContact CB-CD2 3.72Å; F357-F360 HydrophobicContact CB-CE2 3.83Å; F357-F360 HydrophobicContact CG-CE2 4.4Å; F357-F360 PolarHBondContact O-N 2.99Å; F357-K400 WeakPolarHBondContact CD1-O 3.45Å; F357-K400 HydrophobicContact CE1-CG 4.41Å; F357-Y401 HydrophobicContact CE1-CD1 4.3Å; F357-Y401 HydrophobicContact CE1-CG 4.49Å; F357-Y401 HydrophobicContact CZ-CD1 4.41Å; F357-Y401 HydrophobicContact CZ-CG 4.38Å
358	P	96.3	Very high	95.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.4	-179.2	-23.8	31.6	0	0	0	113.9	Y320 F360 F361 L384 I387 I398 Y402	Y320-P358 WeakPolarHBondContact O-CG 3.42Å; P358-F360 PolarHBondContact O-N 3.02Å; P358-F361 WeakPolarHBondContact O-CB 3.37Å; P358-F361 PolarHBondContact O-N 3.2Å; P358-L384 HydrophobicContact CB-CD1 4.02Å; P358-I387 HydrophobicContact CB-CD1 3.95Å; P358-I387 HydrophobicContact CG-CD1 4.12Å; P358-I398 HydrophobicContact CB-CG2 4.43Å; P358-Y402 HydrophobicContact CG-CD2 3.7Å; P358-Y402 HydrophobicContact CG-CE2 3.67Å
359	M	95.6	Very high	95.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-53.4	-28.7	179.1	-175	-179.6	69.4	0	0	113	F357 I362 Y363 F433 W435	F357-M359 PolarHBondContact O-N 2.95Å; M359-I362 VanDerWaalsContact O-CB 3.26Å; M359-I362 WeakPolarHBondContact O-CB 3.43Å; M359-I362 PolarHBondContact O-N 3.18Å; M359-I362 VanDerWaalsContact O-N 3.16Å; M359-Y363 HydrophobicContact CE-CE2 3.95Å; M359-Y363 HydrophobicContact CG-CD2 4.15Å; M359-Y363 HydrophobicContact CG-CE2 3.91Å; M359-Y363 WeakPolarHBondContact O-CD2 3.27Å; M359-Y363 PolarHBondContact O-N 3.4Å; M359-Y363 VanDerWaalsContact O-N 3.09Å; M359-Y363 HydrophobicContact SD-CE2 4.12Å; M359-F433 HydrophobicContact CB-CE1 4.4Å; M359-F433 HydrophobicContact SD-CE1 3.94Å; M359-F433 HydrophobicContact SD-CZ 3.97Å; M359-W435 HydrophobicContact CE-CD2 4.15Å; M359-W435 HydrophobicContact CE-CE3 4.49Å; M359-W435 HydrophobicContact CE-CH2 4.28Å; M359-W435 HydrophobicContact CE-CZ2 3.94Å; M359-W435 HydrophobicContact SD-CD2 3.85Å; M359-W435 HydrophobicContact SD-CG 3.86Å; M359-W435 HydrophobicContact SD-CZ2 4.44Å
360	F	97.9	Very high	96.1	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-77.3	-22.6	179.2	-64.5	-62.6	0	0	0	113.9	W213 A286 L289 F322 F357 P358 I362 Y363 M364	W213-F360 HydrophobicContact CH2-CE2 4.31Å; W213-F360 AromaticContact CH2-CZ 3.69Å; W213-F360 HydrophobicContact CH2-CZ 3.69Å; W213-F360 HydrophobicContact CZ2-CE2 4.43Å; W213-F360 AromaticContact CZ2-CZ 3.79Å; W213-F360 HydrophobicContact CZ2-CZ 3.79Å; A286-F360 HydrophobicContact CB-CD1 4.02Å; A286-F360 HydrophobicContact CB-CD2 3.91Å; A286-F360 HydrophobicContact CB-CE1 3.65Å; A286-F360 HydrophobicContact CB-CE2 3.53Å; A286-F360 HydrophobicContact CB-CG 4.13Å; A286-F360 HydrophobicContact CB-CZ 3.37Å; A286-F360 WeakPolarHBondContact O-CE1 3.26Å; L289-F360 HydrophobicContact CD1-CB 4.01Å; L289-F360 HydrophobicContact CD1-CD1 3.56Å; L289-F360 HydrophobicContact CD1-CE1 4.37Å; L289-F360 HydrophobicContact CD1-CG 4.09Å; F322-F360 HydrophobicContact CB-CB 3.7Å; F322-F360 HydrophobicContact CB-CD2 3.81Å; F322-F360 HydrophobicContact CB-CG 4.03Å; F322-F360 HydrophobicContact CD2-CB 3.7Å; F322-F360 HydrophobicContact CG-CB 3.79Å; F357-F360 HydrophobicContact CB-CD2 3.72Å; F357-F360 HydrophobicContact CB-CE2 3.83Å; F357-F360 HydrophobicContact CG-CE2 4.4Å; F357-F360 PolarHBondContact O-N 2.99Å; P358-F360 PolarHBondContact O-N 3.02Å; F360-I362 VanDerWaalsContact C-N 3.26Å; F360-Y363 AromaticContact CD1-CD2 3.83Å; F360-Y363 HydrophobicContact CD1-CD2 3.83Å; F360-Y363 HydrophobicContact CD1-CE2 4.44Å; F360-Y363 HydrophobicContact CE1-CD2 4.28Å; F360-Y363 HydrophobicContact CE1-CE2 4.46Å; F360-Y363 PolarHBondContact O-N 3.08Å; F360-M364 WeakPolarHBondContact O-CG 3.43Å; F360-M364 PolarHBondContact O-N 3.15Å; F360-M364 VanDerWaalsContact O-N 3.07Å
361	F	98.4	Very high	96.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.2	-38	164.4	-66.1	-19.4	0	0	0	110.8	G321 F322 P358 M364 M365 Y380 L383 L384 I387	G321-F361 VanDerWaalsContact CA-CZ 3.48Å; G321-F361 VanDerWaalsContact N-CZ 3.3Å; F322-F361 AromaticContact CD2-CD1 3.84Å; F322-F361 HydrophobicContact CD2-CD1 3.84Å; F322-F361 AromaticContact CD2-CE1 3.81Å; F322-F361 HydrophobicContact CD2-CE1 3.81Å; F322-F361 AromaticContact CE2-CD1 3.62Å; F322-F361 HydrophobicContact CE2-CD1 3.62Å; F322-F361 AromaticContact CE2-CE1 3.63Å; F322-F361 HydrophobicContact CE2-CE1 3.63Å; P358-F361 WeakPolarHBondContact O-CB 3.37Å; P358-F361 PolarHBondContact O-N 3.2Å; F361-M364 WeakPolarHBondContact O-CB 3.45Å; F361-M364 PolarHBondContact O-N 2.8Å; F361-M365 WeakPolarHBondContact O-CG 3.33Å; F361-M365 PolarHBondContact O-N 2.98Å; F361-Y380 HydrophobicContact CB-CD1 4.04Å; F361-Y380 AromaticContact CD1-CD1 3.43Å; F361-Y380 HydrophobicContact CD1-CD1 3.43Å; F361-Y380 VanDerWaalsContact CD1-CD1 3.43Å; F361-Y380 AromaticContact CD1-CE1 3.65Å; F361-Y380 HydrophobicContact CD1-CE1 3.65Å; F361-Y380 HydrophobicContact CE1-CD1 4.07Å; F361-Y380 AromaticContact CE1-CE1 3.97Å; F361-Y380 HydrophobicContact CE1-CE1 3.97Å; F361-Y380 AromaticContact CG-CD1 3.93Å; F361-Y380 HydrophobicContact CG-CD1 3.93Å; F361-L383 HydrophobicContact CD2-CB 4.06Å; F361-L383 HydrophobicContact CE1-CD1 4.47Å; F361-L383 HydrophobicContact CE2-CB 3.83Å; F361-L383 HydrophobicContact CZ-CB 4.27Å; F361-L383 HydrophobicContact CZ-CD1 4.35Å; F361-L384 HydrophobicContact CB-CB 4.48Å; F361-L384 HydrophobicContact CB-CD1 4.48Å; F361-I387 HydrophobicContact CD2-CD1 3.98Å; F361-I387 HydrophobicContact CE2-CD1 3.91Å
362	I	98.4	Very high	96.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.8	-43.5	176	-55.5	171.7	0	0	0	111	M359 F360 M364 M365 I366 L384 I398 M439 Y440 A443	M359-I362 VanDerWaalsContact O-CB 3.26Å; M359-I362 WeakPolarHBondContact O-CB 3.43Å; M359-I362 PolarHBondContact O-N 3.18Å; M359-I362 VanDerWaalsContact O-N 3.16Å; F360-I362 VanDerWaalsContact C-N 3.26Å; I362-M364 VanDerWaalsContact C-N 3.29Å; I362-M364 PolarHBondContact O-N 3.06Å; I362-M365 WeakPolarHBondContact O-CB 3.48Å; I362-M365 PolarHBondContact O-N 3.06Å; I362-I366 HydrophobicContact CG2-CD1 4.3Å; I362-I366 WeakPolarHBondContact O-CG1 3.49Å; I362-I366 PolarHBondContact O-N 3.48Å; I362-L384 HydrophobicContact CD1-CD2 4.38Å; I362-L384 HydrophobicContact CG1-CD1 4.45Å; I362-L384 HydrophobicContact CG1-CD2 3.67Å; I362-I398 HydrophobicContact CD1-CG1 4.35Å; I362-I398 HydrophobicContact CD1-CG2 4.16Å; I362-M439 HydrophobicContact CG2-CB 4.02Å; I362-M439 WeakPolarHBondContact CG2-O 3.43Å; I362-Y440 HydrophobicContact CD1-CD2 4.2Å; I362-Y440 HydrophobicContact CD1-CG 4.49Å; I362-A443 HydrophobicContact CG2-CB 3.55Å
363	Y	98.3	Very high	96.6	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-58.9	-40.4	173	-83.8	-77.4	0	0	0	112.3	Y81 P290 Y294 M359 F360 M365 I366 D367 W435 M439	Y81-Y363 PolarHBondContact OH-OH 2.89Å; Y81-Y363 VanDerWaalsContact OH-OH 3.14Å; P290-Y363 HydrophobicContact CB-CE1 3.79Å; Y294-Y363 WeakPolarHBondContact O-CE1 3.4Å; M359-Y363 HydrophobicContact CE-CE2 3.95Å; M359-Y363 HydrophobicContact CG-CD2 4.15Å; M359-Y363 HydrophobicContact CG-CE2 3.91Å; M359-Y363 WeakPolarHBondContact O-CD2 3.27Å; M359-Y363 PolarHBondContact O-N 3.4Å; M359-Y363 VanDerWaalsContact O-N 3.09Å; M359-Y363 HydrophobicContact SD-CE2 4.12Å; F360-Y363 AromaticContact CD1-CD2 3.83Å; F360-Y363 HydrophobicContact CD1-CD2 3.83Å; F360-Y363 HydrophobicContact CD1-CE2 4.44Å; F360-Y363 HydrophobicContact CE1-CD2 4.28Å; F360-Y363 HydrophobicContact CE1-CE2 4.46Å; F360-Y363 PolarHBondContact O-N 3.08Å; Y363-M365 VanDerWaalsContact C-N 3.35Å; Y363-I366 PolarHBondContact O-N 3.37Å; Y363-D367 WeakPolarHBondContact O-CB 3.35Å; Y363-D367 PolarHBondContact O-N 3.42Å; Y363-W435 PolarHBondContact OH-NE1 3.29Å; Y363-M439 HydrophobicContact CD1-CE 4.1Å; Y363-M439 HydrophobicContact CE1-CE 3.61Å; Y363-M439 HydrophobicContact CE2-CE 4.4Å
364	M	98.4	Very high	96.7	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-32.9	176.2	-66.1	-58.2	-62.1	0	0	113	L289 L309 V313 F322 F360 F361 I362 G368 Q376 Y380	L289-M364 HydrophobicContact CD2-SD 3.94Å; L309-M364 HydrophobicContact CD1-CE 4.03Å; L309-M364 HydrophobicContact CD1-SD 3.87Å; L309-M364 HydrophobicContact CD2-CE 4.35Å; V313-M364 HydrophobicContact CG2-CE 4.44Å; F322-M364 HydrophobicContact CE2-CG 4.3Å; F322-M364 HydrophobicContact CZ-CG 4.16Å; F360-M364 WeakPolarHBondContact O-CG 3.43Å; F360-M364 PolarHBondContact O-N 3.15Å; F360-M364 VanDerWaalsContact O-N 3.07Å; F361-M364 WeakPolarHBondContact O-CB 3.45Å; F361-M364 PolarHBondContact O-N 2.8Å; I362-M364 VanDerWaalsContact C-N 3.29Å; I362-M364 PolarHBondContact O-N 3.06Å; M364-G368 PolarHBondContact O-N 3.09Å; M364-Q376 PolarHBondContact O-NE2 3.34Å; M364-Y380 HydrophobicContact CB-CD1 3.87Å; M364-Y380 HydrophobicContact CB-CD2 3.38Å; M364-Y380 HydrophobicContact CB-CE1 3.97Å; M364-Y380 HydrophobicContact CB-CE2 3.51Å; M364-Y380 HydrophobicContact CB-CG 3.57Å; M364-Y380 HydrophobicContact CE-CE2 3.65Å; M364-Y380 HydrophobicContact CG-CD1 4.22Å; M364-Y380 HydrophobicContact CG-CD2 4.2Å; M364-Y380 HydrophobicContact CG-CE1 3.86Å; M364-Y380 HydrophobicContact CG-CE2 3.85Å; M364-Y380 HydrophobicContact CG-CG 4.38Å
365	M	98.4	Very high	96.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-49.9	171.3	-67	167.1	63.9	0	0	110.4	F361 I362 Y363 D367 G368 V369 Q381 L384 V447	F361-M365 WeakPolarHBondContact O-CG 3.33Å; F361-M365 PolarHBondContact O-N 2.98Å; I362-M365 WeakPolarHBondContact O-CB 3.48Å; I362-M365 PolarHBondContact O-N 3.06Å; Y363-M365 VanDerWaalsContact C-N 3.35Å; M365-D367 VanDerWaalsContact C-N 3.35Å; M365-D367 PolarHBondContact O-N 2.85Å; M365-G368 PolarHBondContact O-N 2.82Å; M365-G368 VanDerWaalsContact O-N 3.13Å; M365-V369 WeakPolarHBondContact O-CG2 3.12Å; M365-V369 PolarHBondContact O-N 3.08Å; M365-Q381 HydrophobicContact CE-CB 4.27Å; M365-L384 HydrophobicContact SD-CD2 3.84Å; M365-V447 HydrophobicContact CE-CG2 4.14Å
366	I	98.1	Very high	96.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-47.9	178.5	-66.1	171	0	0	0	110.2	Y294 I362 Y363 G368 V369 F370 M439 I442 A443 L446	Y294-I366 HydrophobicContact CD1-CD1 4.44Å; Y294-I366 HydrophobicContact CD1-CG2 4.11Å; Y294-I366 HydrophobicContact CG-CG2 3.96Å; I362-I366 HydrophobicContact CG2-CD1 4.3Å; I362-I366 WeakPolarHBondContact O-CG1 3.49Å; I362-I366 PolarHBondContact O-N 3.48Å; Y363-I366 PolarHBondContact O-N 3.37Å; I366-G368 VanDerWaalsContact C-N 3.25Å; I366-G368 PolarHBondContact O-N 2.92Å; I366-V369 WeakPolarHBondContact O-CB 3.39Å; I366-V369 PolarHBondContact O-N 3.24Å; I366-F370 HydrophobicContact CG2-CD2 3.6Å; I366-F370 HydrophobicContact CG2-CE2 3.6Å; I366-F370 WeakPolarHBondContact O-CD2 3.22Å; I366-F370 PolarHBondContact O-N 3.41Å; I366-M439 HydrophobicContact CD1-CE 3.33Å; I366-I442 HydrophobicContact CD1-CG2 4.45Å; I366-A443 HydrophobicContact CD1-CB 4.03Å; I366-A443 HydrophobicContact CG1-CB 3.65Å; I366-L446 HydrophobicContact CG1-CD1 4.18Å; I366-L446 HydrophobicContact CG2-CD1 4.1Å
367	D	97.1	Very high	97	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-54.5	-43.6	175.5	-175.7	66.2	0	0	0	112.2	S293 Y305 Y363 M365 V369 F370 R371 Q376	S293-D367 WeakPolarHBondContact CB-OD1 3.43Å; S293-D367 WeakPolarHBondContact OG-CB 3.43Å; S293-D367 PolarHBondContact OG-OD1 3.32Å; Y305-D367 PolarHBondContact OH-OD1 3.35Å; Y305-D367 PolarHBondContact OH-OD2 2.94Å; Y363-D367 WeakPolarHBondContact O-CB 3.35Å; Y363-D367 PolarHBondContact O-N 3.42Å; M365-D367 VanDerWaalsContact C-N 3.35Å; M365-D367 PolarHBondContact O-N 2.85Å; D367-V369 VanDerWaalsContact C-N 3.33Å; D367-V369 PolarHBondContact O-N 2.86Å; D367-F370 PolarHBondContact O-N 3.24Å; D367-R371 WeakPolarHBondContact O-CB 3.41Å; D367-R371 PolarHBondContact O-N 2.58Å; D367-R371 IonicContact OD1-NE 3.36Å; D367-Q376 PolarHBondContact OD2-NE2 3.29Å
368	G	97	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-39.9	176.4	0	0	0	0	0	112.5	M364 M365 I366 G372 N373 Q376	M364-G368 PolarHBondContact O-N 3.09Å; M365-G368 PolarHBondContact O-N 2.82Å; M365-G368 VanDerWaalsContact O-N 3.13Å; I366-G368 VanDerWaalsContact C-N 3.25Å; I366-G368 PolarHBondContact O-N 2.92Å; G368-G372 CarbonylContact O-C 3.52Å; G368-G372 PolarHBondContact O-N 3.4Å; G368-N373 PolarHBondContact O-N 2.75Å; G368-Q376 VanDerWaalsContact N-NE2 3.17Å
369	V	97.3	Very high	97.1	Very high	32 Å²	32	38 Å²	38	19%	0.194	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-50.3	174.6	-179	0	0	0	0	111	M365 I366 D367 R371 G372 V377 L446 V447 P453	M365-V369 WeakPolarHBondContact O-CG2 3.12Å; M365-V369 PolarHBondContact O-N 3.08Å; I366-V369 WeakPolarHBondContact O-CB 3.39Å; I366-V369 PolarHBondContact O-N 3.24Å; D367-V369 VanDerWaalsContact C-N 3.33Å; D367-V369 PolarHBondContact O-N 2.86Å; V369-R371 VanDerWaalsContact C-N 3.27Å; V369-R371 PolarHBondContact O-N 3.18Å; V369-G372 PolarHBondContact O-N 3.45Å; V369-V377 HydrophobicContact CG2-CG2 3.95Å; V369-L446 HydrophobicContact CG1-CB 4.21Å; V369-L446 HydrophobicContact CG1-CD2 4.39Å; V369-L446 HydrophobicContact CG2-CB 4.27Å; V369-V447 HydrophobicContact CG2-CG2 3.98Å; V369-P453 HydrophobicContact CG1-CG 4.25Å
370	F	95.1	Very high	97.2	Very high	20 Å²	20	38.1 Å²	38.1	9%	0.088	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-34.2	-179	-86.8	-88.4	0	0	0	112.8	Y294 F297 I366 D367 L446 P453 I456 D457 Y462	Y294-F370 AromaticContact CD2-CE2 3.89Å; Y294-F370 HydrophobicContact CD2-CE2 3.89Å; Y294-F370 AromaticContact CD2-CZ 3.78Å; Y294-F370 HydrophobicContact CD2-CZ 3.78Å; Y294-F370 HydrophobicContact CG-CE2 4.1Å; Y294-F370 HydrophobicContact CG-CZ 4.42Å; F297-F370 HydrophobicContact CE1-CB 4.4Å; F297-F370 HydrophobicContact CE1-CD1 4.06Å; F297-F370 HydrophobicContact CE1-CE1 4.49Å; F297-F370 HydrophobicContact CE1-CG 4.17Å; F297-F370 HydrophobicContact CE2-CD1 4.3Å; F297-F370 AromaticContact CE2-CE1 3.93Å; F297-F370 HydrophobicContact CE2-CE1 3.93Å; F297-F370 HydrophobicContact CE2-CZ 4.26Å; F297-F370 HydrophobicContact CZ-CB 4.49Å; F297-F370 AromaticContact CZ-CD1 3.47Å; F297-F370 HydrophobicContact CZ-CD1 3.47Å; F297-F370 VanDerWaalsContact CZ-CD1 3.47Å; F297-F370 HydrophobicContact CZ-CD2 4.11Å; F297-F370 AromaticContact CZ-CE1 3.49Å; F297-F370 HydrophobicContact CZ-CE1 3.49Å; F297-F370 VanDerWaalsContact CZ-CE1 3.49Å; F297-F370 HydrophobicContact CZ-CE2 4.15Å; F297-F370 AromaticContact CZ-CG 3.78Å; F297-F370 HydrophobicContact CZ-CG 3.78Å; F297-F370 AromaticContact CZ-CZ 3.86Å; F297-F370 HydrophobicContact CZ-CZ 3.86Å; I366-F370 HydrophobicContact CG2-CD2 3.6Å; I366-F370 HydrophobicContact CG2-CE2 3.6Å; I366-F370 WeakPolarHBondContact O-CD2 3.22Å; I366-F370 PolarHBondContact O-N 3.41Å; D367-F370 PolarHBondContact O-N 3.24Å; F370-L446 HydrophobicContact CE2-CD1 4.32Å; F370-P453 HydrophobicContact CD1-CB 3.71Å; F370-P453 HydrophobicContact CD1-CG 4.27Å; F370-P453 HydrophobicContact CE1-CB 3.53Å; F370-P453 HydrophobicContact CE1-CG 4.42Å; F370-P453 HydrophobicContact CG-CB 4.41Å; F370-P453 HydrophobicContact CZ-CB 4.07Å; F370-I456 HydrophobicContact CE2-CD1 4.04Å; F370-I456 HydrophobicContact CZ-CD1 3.93Å; F370-I456 HydrophobicContact CZ-CG1 4.02Å; F370-D457 HydrophobicContact CE1-CB 4.34Å; F370-Y462 VanDerWaalsContact CD1-CB 3.47Å; F370-Y462 AromaticContact CD1-CD1 3.8Å; F370-Y462 HydrophobicContact CD1-CD1 3.8Å; F370-Y462 AromaticContact CD1-CD2 3.76Å; F370-Y462 HydrophobicContact CD1-CD2 3.76Å; F370-Y462 HydrophobicContact CD1-CE1 4.46Å; F370-Y462 HydrophobicContact CD1-CE2 4.41Å; F370-Y462 AromaticContact CD1-CG 3.41Å; F370-Y462 HydrophobicContact CD1-CG 3.41Å; F370-Y462 VanDerWaalsContact CD1-CG 3.41Å; F370-Y462 AromaticContact CE1-CD1 3.63Å; F370-Y462 HydrophobicContact CE1-CD1 3.63Å; F370-Y462 HydrophobicContact CE1-CD2 4.43Å; F370-Y462 HydrophobicContact CE1-CE1 4.25Å; F370-Y462 AromaticContact CE1-CG 3.74Å; F370-Y462 HydrophobicContact CE1-CG 3.74Å
371	R	92.4	Very high	97.2	Very high	117 Å²	117	41.2 Å²	41.2	44%	0.442	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.7	176.4	-68.3	-169.1	170.1	-96.4	-7.7	114.5	D302 Y305 D367 V369 N373	D302-R371 IonicContact OD1-NH1 3.03Å; D302-R371 IonicContact OD1-NH2 2.98Å; Y305-R371 VanDerWaalsContact CD1-CZ 3.5Å; Y305-R371 VanDerWaalsContact CZ-CZ 3.42Å; Y305-R371 PolarHBondContact OH-NE 2.92Å; Y305-R371 VanDerWaalsContact OH-NE 3.14Å; D367-R371 WeakPolarHBondContact O-CB 3.41Å; D367-R371 PolarHBondContact O-N 2.58Å; D367-R371 IonicContact OD1-NE 3.36Å; V369-R371 VanDerWaalsContact C-N 3.27Å; V369-R371 PolarHBondContact O-N 3.18Å; R371-N373 PolarHBondContact O-N 3.29Å
372	G	94.5	Very high	97.1	Very high	61 Å²	61	45.5 Å²	45.5	63%	0.629	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	19	-176.5	0	0	0	0	0	114.5	G368 V369 K374	G368-G372 CarbonylContact O-C 3.52Å; G368-G372 PolarHBondContact O-N 3.4Å; V369-G372 PolarHBondContact O-N 3.45Å; G372-K374 PolarHBondContact O-N 3.48Å
373	N	96.4	Very high	97.1	Very high	68 Å²	68	47.9 Å²	47.9	36%	0.364	25%	0.252	S	S	.	.			trans	-90.5	83.9	-179.4	-173.2	-8	0	0	0	111.4	G368 R371 A375 Q376 V377	G368-N373 PolarHBondContact O-N 2.75Å; R371-N373 PolarHBondContact O-N 3.29Å; N373-A375 PolarHBondContact O-N 2.94Å; N373-A375 PolarHBondContact OD1-N 2.89Å; N373-Q376 HydrophobicContact CB-CB 4.1Å; N373-Q376 WeakPolarHBondContact ND2-CB 3.47Å; N373-Q376 PolarHBondContact O-N 3.18Å; N373-Q376 PolarHBondContact OD1-N 2.86Å; N373-Q376 VanDerWaalsContact OD1-N 3.1Å; N373-V377 WeakPolarHBondContact O-CG2 3.48Å; N373-V377 PolarHBondContact O-N 3.23Å
374	K	96.4	Very high	97	Very high	159 Å²	159	48 Å²	48	69%	0.691	25%	0.253	S	S	*	.	H	α-helix	trans	-60.5	-28.2	178.5	-64	-169.6	175.7	-165.5	0	113.7	G372 K378	G372-K374 PolarHBondContact O-N 3.48Å; K374-K378 PolarHBondContact O-N 2.93Å; K374-K378 VanDerWaalsContact O-N 3.08Å
375	A	98	Very high	96.8	Very high	71 Å²	71	54 Å²	54	59%	0.587	28%	0.281	S	S	*	.	H	α-helix	trans	-68.5	-43.9	178.6	0	0	0	0	0	111.4	N373 K378 E379	N373-A375 PolarHBondContact O-N 2.94Å; N373-A375 PolarHBondContact OD1-N 2.89Å; A375-K378 PolarHBondContact O-N 2.95Å; A375-E379 PolarHBondContact O-N 3.39Å
376	Q	97.6	Very high	96.5	Very high	23 Å²	23	58.9 Å²	58.9	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-45.4	173.9	175.7	174.4	-47.5	0	0	111.5	M364 D367 G368 N373 K378 E379 Y380	M364-Q376 PolarHBondContact O-NE2 3.34Å; D367-Q376 PolarHBondContact OD2-NE2 3.29Å; G368-Q376 VanDerWaalsContact N-NE2 3.17Å; N373-Q376 HydrophobicContact CB-CB 4.1Å; N373-Q376 WeakPolarHBondContact ND2-CB 3.47Å; N373-Q376 PolarHBondContact O-N 3.18Å; N373-Q376 PolarHBondContact OD1-N 2.86Å; N373-Q376 VanDerWaalsContact OD1-N 3.1Å; Q376-K378 VanDerWaalsContact C-N 3.3Å; Q376-K378 PolarHBondContact O-N 2.89Å; Q376-E379 PolarHBondContact O-N 3.03Å; Q376-Y380 HydrophobicContact CG-CD2 3.77Å; Q376-Y380 HydrophobicContact CG-CE2 3.87Å; Q376-Y380 VanDerWaalsContact O-CD2 3.31Å; Q376-Y380 WeakPolarHBondContact O-CD2 3.32Å; Q376-Y380 PolarHBondContact O-N 3.18Å
377	V	98.2	Very high	96.3	Very high	16 Å²	16	59.3 Å²	59.3	10%	0.097	32%	0.315	C	S	.	.	H	α-helix	trans	-55.5	-48.9	177.2	176.6	0	0	0	0	110.5	V369 N373 Q381 V447	V369-V377 HydrophobicContact CG2-CG2 3.95Å; N373-V377 WeakPolarHBondContact O-CG2 3.48Å; N373-V377 PolarHBondContact O-N 3.23Å; V377-Q381 VanDerWaalsContact O-CB 3.27Å; V377-Q381 WeakPolarHBondContact O-CB 3.38Å; V377-Q381 PolarHBondContact O-N 3.47Å; V377-V447 HydrophobicContact CG1-CG1 4.28Å; V377-V447 HydrophobicContact CG1-CG2 3.68Å
378	K	97.9	Very high	95.9	Very high	135 Å²	135	61 Å²	61	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-63.5	-46.6	179.3	-174	172.6	-179.4	176.7	0	112.4	K374 A375 Q376 Y380 Q381 D382	K374-K378 PolarHBondContact O-N 2.93Å; K374-K378 VanDerWaalsContact O-N 3.08Å; A375-K378 PolarHBondContact O-N 2.95Å; Q376-K378 VanDerWaalsContact C-N 3.3Å; Q376-K378 PolarHBondContact O-N 2.89Å; K378-Y380 VanDerWaalsContact C-N 3.35Å; K378-Y380 PolarHBondContact O-N 2.79Å; K378-Q381 PolarHBondContact O-N 3.13Å; K378-D382 WeakPolarHBondContact O-CB 3.31Å; K378-D382 VanDerWaalsContact O-CG 3.22Å; K378-D382 PolarHBondContact O-N 2.96Å
379	E	97.9	Very high	95.5	Very high	81 Å²	81	62.8 Å²	62.8	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-54	-51	178.1	-178.8	-172.3	172.1	0	0	111.4	R317 A375 Q376 D382 L383	R317-E379 IonicContact CZ-OE1 2.77Å; R317-E379 VanDerWaalsContact CZ-OE1 3.23Å; R317-E379 IonicContact NH1-OE1 2.85Å; R317-E379 PolarHBondContact NH1-OE1 3.34Å; R317-E379 IonicContact NH2-OE1 3.59Å; R317-E379 PolarHBondContact NH2-OE1 3.04Å; A375-E379 PolarHBondContact O-N 3.39Å; Q376-E379 PolarHBondContact O-N 3.03Å; E379-D382 PolarHBondContact O-N 3.32Å; E379-L383 HydrophobicContact CG-CD1 4.18Å; E379-L383 VanDerWaalsContact O-CG 3.27Å; E379-L383 WeakPolarHBondContact O-CG 3.48Å; E379-L383 PolarHBondContact O-N 3.47Å; E379-L383 VanDerWaalsContact O-N 3.11Å
380	Y	97.9	Very high	94.9	Very high	6 Å²	6	69 Å²	69	2%	0.024	36%	0.358	C	S	.	.	H	α-helix	trans	-75.6	-25.6	-177	-74.6	-73.4	0	0	0	113.3	F322 F361 M364 Q376 K378 L383 L384	F322-Y380 AromaticContact CE2-CE1 3.96Å; F322-Y380 HydrophobicContact CE2-CE1 3.96Å; F322-Y380 HydrophobicContact CZ-CE1 4.28Å; F361-Y380 HydrophobicContact CB-CD1 4.04Å; F361-Y380 AromaticContact CD1-CD1 3.43Å; F361-Y380 HydrophobicContact CD1-CD1 3.43Å; F361-Y380 VanDerWaalsContact CD1-CD1 3.43Å; F361-Y380 AromaticContact CD1-CE1 3.65Å; F361-Y380 HydrophobicContact CD1-CE1 3.65Å; F361-Y380 HydrophobicContact CE1-CD1 4.07Å; F361-Y380 AromaticContact CE1-CE1 3.97Å; F361-Y380 HydrophobicContact CE1-CE1 3.97Å; F361-Y380 AromaticContact CG-CD1 3.93Å; F361-Y380 HydrophobicContact CG-CD1 3.93Å; M364-Y380 HydrophobicContact CB-CD1 3.87Å; M364-Y380 HydrophobicContact CB-CD2 3.38Å; M364-Y380 HydrophobicContact CB-CE1 3.97Å; M364-Y380 HydrophobicContact CB-CE2 3.51Å; M364-Y380 HydrophobicContact CB-CG 3.57Å; M364-Y380 HydrophobicContact CE-CE2 3.65Å; M364-Y380 HydrophobicContact CG-CD1 4.22Å; M364-Y380 HydrophobicContact CG-CD2 4.2Å; M364-Y380 HydrophobicContact CG-CE1 3.86Å; M364-Y380 HydrophobicContact CG-CE2 3.85Å; M364-Y380 HydrophobicContact CG-CG 4.38Å; Q376-Y380 HydrophobicContact CG-CD2 3.77Å; Q376-Y380 HydrophobicContact CG-CE2 3.87Å; Q376-Y380 VanDerWaalsContact O-CD2 3.31Å; Q376-Y380 WeakPolarHBondContact O-CD2 3.32Å; Q376-Y380 PolarHBondContact O-N 3.18Å; K378-Y380 VanDerWaalsContact C-N 3.35Å; K378-Y380 PolarHBondContact O-N 2.79Å; Y380-L383 HydrophobicContact CD1-CD1 4.03Å; Y380-L383 HydrophobicContact CE1-CD1 4.27Å; Y380-L384 VanDerWaalsContact O-CB 3.23Å; Y380-L384 WeakPolarHBondContact O-CB 3.47Å; Y380-L384 PolarHBondContact O-N 3.02Å
381	Q	97	Very high	94.2	Very high	65 Å²	65	69.6 Å²	69.6	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-47.2	169.9	-175.5	172.2	-15.1	0	0	111.3	M365 V377 K378 L383 L384 E385	M365-Q381 HydrophobicContact CE-CB 4.27Å; V377-Q381 VanDerWaalsContact O-CB 3.27Å; V377-Q381 WeakPolarHBondContact O-CB 3.38Å; V377-Q381 PolarHBondContact O-N 3.47Å; K378-Q381 PolarHBondContact O-N 3.13Å; Q381-L383 PolarHBondContact O-N 2.81Å; Q381-L384 PolarHBondContact O-N 3.41Å; Q381-L384 VanDerWaalsContact O-N 3.1Å; Q381-E385 PolarHBondContact O-N 3.35Å
382	D	97.5	Very high	93.3	Very high	89 Å²	89	74.2 Å²	74.2	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-31.8	178.3	-67	-14.2	0	0	0	111.5	K378 E379 P386	K378-D382 WeakPolarHBondContact O-CB 3.31Å; K378-D382 VanDerWaalsContact O-CG 3.22Å; K378-D382 PolarHBondContact O-N 2.96Å; E379-D382 PolarHBondContact O-N 3.32Å; D382-P386 WeakPolarHBondContact O-CD 3.44Å
383	L	97.1	Very high	92.3	Very high	51 Å²	51	76.7 Å²	76.7	27%	0.267	38%	0.383	S	S	.	.	H	α-helix	trans	-76	-32.4	174.3	-69.2	169.3	0	0	0	113.5	F361 E379 Y380 Q381	F361-L383 HydrophobicContact CD2-CB 4.06Å; F361-L383 HydrophobicContact CE1-CD1 4.47Å; F361-L383 HydrophobicContact CE2-CB 3.83Å; F361-L383 HydrophobicContact CZ-CB 4.27Å; F361-L383 HydrophobicContact CZ-CD1 4.35Å; E379-L383 HydrophobicContact CG-CD1 4.18Å; E379-L383 VanDerWaalsContact O-CG 3.27Å; E379-L383 WeakPolarHBondContact O-CG 3.48Å; E379-L383 PolarHBondContact O-N 3.47Å; E379-L383 VanDerWaalsContact O-N 3.11Å; Y380-L383 HydrophobicContact CD1-CD1 4.03Å; Y380-L383 HydrophobicContact CE1-CD1 4.27Å; Q381-L383 PolarHBondContact O-N 2.81Å
384	L	96.1	Very high	91.6	Very high	5 Å²	5	74.7 Å²	74.7	3%	0.026	38%	0.379	C	S	.	.	H	α-helix	trans	-81.8	-39.7	-176.2	-177.7	65.4	0	0	0	112.5	P358 F361 I362 M365 Y380 Q381 P386 I387 I388 Y440	P358-L384 HydrophobicContact CB-CD1 4.02Å; F361-L384 HydrophobicContact CB-CB 4.48Å; F361-L384 HydrophobicContact CB-CD1 4.48Å; I362-L384 HydrophobicContact CD1-CD2 4.38Å; I362-L384 HydrophobicContact CG1-CD1 4.45Å; I362-L384 HydrophobicContact CG1-CD2 3.67Å; M365-L384 HydrophobicContact SD-CD2 3.84Å; Y380-L384 VanDerWaalsContact O-CB 3.23Å; Y380-L384 WeakPolarHBondContact O-CB 3.47Å; Y380-L384 PolarHBondContact O-N 3.02Å; Q381-L384 PolarHBondContact O-N 3.41Å; Q381-L384 VanDerWaalsContact O-N 3.1Å; L384-P386 VanDerWaalsContact C-CD 3.47Å; L384-I387 HydrophobicContact CD1-CD1 4.29Å; L384-I387 HydrophobicContact CD1-CG1 4.23Å; L384-I387 WeakPolarHBondContact O-CG1 3.43Å; L384-I387 PolarHBondContact O-N 2.94Å; L384-I388 HydrophobicContact CD1-CG2 3.76Å; L384-I388 HydrophobicContact CG-CG2 3.81Å; L384-I388 PolarHBondContact O-N 2.97Å; L384-Y440 HydrophobicContact CD2-CD2 4.09Å; L384-Y440 HydrophobicContact CD2-CE2 4.13Å
385	E	94	Very high	91	Very high	130 Å²	130	68.4 Å²	68.4	61%	0.607	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-52	-43.7	-176.8	-169.8	168.3	-155.2	0	0	115.3	Q381 I387 I388	Q381-E385 PolarHBondContact O-N 3.35Å; E385-I387 PolarHBondContact O-N 3.43Å; E385-I388 VanDerWaalsContact O-CG1 3.3Å; E385-I388 WeakPolarHBondContact O-CG1 3.34Å
386	P	93.9	Very high	90.6	Very high	102 Å²	102	66 Å²	66	66%	0.662	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-74.3	-8.3	-179.8	28.9	-35.5	0	0	0	114.4	D382 L384	D382-P386 WeakPolarHBondContact O-CD 3.44Å; L384-P386 VanDerWaalsContact C-CD 3.47Å
387	I	92.4	Very high	90.2	Very high	11 Å²	11	65.1 Å²	65.1	6%	0.056	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-117.9	7.4	-174.4	65	168	0	0	0	113.1	Y320 P358 F361 L384 E385 Y402	Y320-I387 HydrophobicContact CD1-CG2 3.72Å; Y320-I387 HydrophobicContact CE1-CG2 4.32Å; Y320-I387 WeakPolarHBondContact O-CD1 3.45Å; P358-I387 HydrophobicContact CB-CD1 3.95Å; P358-I387 HydrophobicContact CG-CD1 4.12Å; F361-I387 HydrophobicContact CD2-CD1 3.98Å; F361-I387 HydrophobicContact CE2-CD1 3.91Å; L384-I387 HydrophobicContact CD1-CD1 4.29Å; L384-I387 HydrophobicContact CD1-CG1 4.23Å; L384-I387 WeakPolarHBondContact O-CG1 3.43Å; L384-I387 PolarHBondContact O-N 2.94Å; E385-I387 PolarHBondContact O-N 3.43Å; I387-Y402 WeakPolarHBondContact CA-OH 3.23Å; I387-Y402 HydrophobicContact CB-CE2 4.08Å; I387-Y402 WeakPolarHBondContact CB-OH 3.27Å; I387-Y402 PolarHBondContact O-OH 3.32Å
388	I	90.1	Very high	89.9	Confident	39 Å²	39	64.3 Å²	64.3	20%	0.2	32%	0.324	C	S	.	.			trans	-98.1	152.2	169.8	58.8	170.7	0	0	0	110.4	L384 E385 A396 I398	L384-I388 HydrophobicContact CD1-CG2 3.76Å; L384-I388 HydrophobicContact CG-CG2 3.81Å; L384-I388 PolarHBondContact O-N 2.97Å; E385-I388 VanDerWaalsContact O-CG1 3.3Å; E385-I388 WeakPolarHBondContact O-CG1 3.34Å; I388-A396 HydrophobicContact CD1-CB 4.28Å; I388-I398 HydrophobicContact CB-CD1 4.18Å; I388-I398 HydrophobicContact CG2-CD1 3.37Å
389	F	88	Confident	89.6	Confident	38 Å²	38	57.9 Å²	57.9	17%	0.167	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	165.7	176.2	-63.2	-76.7	0	0	0	110.9	A396 V397 P399 P423	F389-A396 CarbonylContact O-C 3.41Å; F389-A396 WeakPolarHBondContact O-CA 3.27Å; F389-V397 HydrophobicContact CB-CB 4.15Å; F389-V397 PolarHBondContact N-O 3.14Å; F389-V397 PolarHBondContact O-N 3.14Å; F389-P399 HydrophobicContact CD2-CG 3.54Å; F389-P399 HydrophobicContact CE2-CB 4.47Å; F389-P399 HydrophobicContact CE2-CG 3.36Å; F389-P423 HydrophobicContact CE2-CB 3.56Å; F389-P423 HydrophobicContact CE2-CG 3.88Å; F389-P423 HydrophobicContact CZ-CB 3.75Å; F389-P423 HydrophobicContact CZ-CG 3.56Å
390	Q	84.7	Confident	89.3	Confident	163 Å²	163	56.2 Å²	56.2	76%	0.762	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	135	169.2	-69.2	-178	-5.5	0	0	109.6	H395	Q390-H395 CarbonylContact C-O 3.52Å; Q390-H395 WeakPolarHBondContact CA-O 3.39Å
391	S	79.7	Confident	89	Confident	32 Å²	32	57.4 Å²	57.4	22%	0.224	29%	0.292	C	S	.	.			trans	-71.5	168.1	172	70.3	0	0	0	0	111	E393 G394 H395	S391-E393 PolarHBondContact O-N 3.43Å; S391-E393 PolarHBondContact OG-N 3.4Å; S391-G394 WeakPolarHBondContact O-CA 3.48Å; S391-G394 PolarHBondContact O-N 3.31Å; S391-G394 PolarHBondContact OG-N 3.49Å; S391-H395 PolarHBondContact N-O 3.12Å; S391-H395 PolarHBondContact OG-N 3.32Å; S391-H395 PolarHBondContact OG-O 3.04Å
392	F	73.8	Confident	88.9	Confident	214 Å²	214	54.8 Å²	54.8	94%	0.939	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.4	171.5	-178.8	-99.9	0	0	0	113.2	G394	F392-G394 PolarHBondContact O-N 2.99Å
393	E	73	Confident	88.8	Confident	112 Å²	112	53.6 Å²	53.6	52%	0.523	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	1.8	177.2	-63.6	177.6	-165.3	0	0	113.5	T50 S391 H395	T50-E393 WeakPolarHBondContact CG2-OE2 3.44Å; T50-E393 PolarHBondContact OG1-OE2 3.19Å; T50-E393 VanDerWaalsContact OG1-OE2 3.14Å; S391-E393 PolarHBondContact O-N 3.43Å; S391-E393 PolarHBondContact OG-N 3.4Å; E393-H395 IonicContact OE2-CD2 2.93Å; E393-H395 IonicContact OE2-NE2 3.32Å
394	G	81.8	Confident	88.7	Confident	27 Å²	27	51.2 Å²	51.2	28%	0.278	26%	0.256	S	S	.	.	S	Bend	trans	84.1	5.8	178.2	0	0	0	0	0	115.9	S391 F392	S391-G394 WeakPolarHBondContact O-CA 3.48Å; S391-G394 PolarHBondContact O-N 3.31Å; S391-G394 PolarHBondContact OG-N 3.49Å; F392-G394 PolarHBondContact O-N 2.99Å
395	H	85.6	Confident	88.5	Confident	26 Å²	26	51.9 Å²	51.9	12%	0.12	26%	0.261	C	S	.	.			trans	-80.2	146.9	176.4	-57.3	-56.7	0	0	0	112.5	T51 Q390 S391 E393	T51-H395 HydrophobicContact CG2-CB 4.11Å; Q390-H395 CarbonylContact C-O 3.52Å; Q390-H395 WeakPolarHBondContact CA-O 3.39Å; S391-H395 PolarHBondContact N-O 3.12Å; S391-H395 PolarHBondContact OG-N 3.32Å; S391-H395 PolarHBondContact OG-O 3.04Å; E393-H395 IonicContact OE2-CD2 2.93Å; E393-H395 IonicContact OE2-NE2 3.32Å
396	A	89.1	Confident	88.4	Confident	20 Å²	20	49.1 Å²	49.1	17%	0.165	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140	174	0	0	0	0	0	111.3	I388 F389 Q437 Y440	I388-A396 HydrophobicContact CD1-CB 4.28Å; F389-A396 CarbonylContact O-C 3.41Å; F389-A396 WeakPolarHBondContact O-CA 3.27Å; A396-Q437 PolarHBondContact O-NE2 3.38Å; A396-Q437 PolarHBondContact O-OE1 3.3Å; A396-Y440 HydrophobicContact CB-CD1 4.34Å; A396-Y440 HydrophobicContact CB-CE1 3.52Å
397	V	89.5	Confident	88.4	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.9	-178.6	179.9	0	0	0	0	109.2	F389 P399 M432	F389-V397 HydrophobicContact CB-CB 4.15Å; F389-V397 PolarHBondContact N-O 3.14Å; F389-V397 PolarHBondContact O-N 3.14Å; V397-P399 WeakPolarHBondContact O-CD 3.39Å; V397-M432 HydrophobicContact CB-CE 4.31Å; V397-M432 HydrophobicContact CB-SD 4.28Å; V397-M432 HydrophobicContact CG1-CE 4.08Å; V397-M432 HydrophobicContact CG1-SD 3.68Å; V397-M432 HydrophobicContact CG2-CE 3.4Å; V397-M432 VanDerWaalsContact CG2-CE 3.4Å; V397-M432 HydrophobicContact CG2-SD 3.98Å
398	I	91.6	Very high	88.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.			trans	-92.7	119.7	-176.8	-48.7	-54.8	0	0	0	110.7	P358 I362 I388 Y440	P358-I398 HydrophobicContact CB-CG2 4.43Å; I362-I398 HydrophobicContact CD1-CG1 4.35Å; I362-I398 HydrophobicContact CD1-CG2 4.16Å; I388-I398 HydrophobicContact CB-CD1 4.18Å; I388-I398 HydrophobicContact CG2-CD1 3.37Å; I398-Y440 HydrophobicContact CD1-CD1 4.34Å; I398-Y440 HydrophobicContact CD1-CD2 3.62Å; I398-Y440 HydrophobicContact CD1-CE2 4.11Å; I398-Y440 HydrophobicContact CD1-CG 3.73Å; I398-Y440 HydrophobicContact CG1-CD2 4.3Å; I398-Y440 HydrophobicContact CG1-CG 3.97Å
399	P	91.2	Very high	88.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.			trans	-64.5	145.2	171.6	-21.8	35.4	0	0	0	111.4	F389 V397 Y402 P423	F389-P399 HydrophobicContact CD2-CG 3.54Å; F389-P399 HydrophobicContact CE2-CB 4.47Å; F389-P399 HydrophobicContact CE2-CG 3.36Å; V397-P399 WeakPolarHBondContact O-CD 3.39Å; P399-Y402 HydrophobicContact CB-CE2 3.98Å; P399-Y402 HydrophobicContact CG-CE2 3.9Å; P399-P423 HydrophobicContact CB-CB 4.22Å; P399-P423 HydrophobicContact CG-CB 4.25Å
400	K	90.6	Very high	88.8	Confident	46 Å²	46	58.3 Å²	58.3	20%	0.2	30%	0.298	C	S	.	.	S	Bend	trans	-65.8	-44.8	175.2	-168.1	172.7	-177.8	165.5	0	111.6	F357 S424 F433	F357-K400 WeakPolarHBondContact CD1-O 3.45Å; F357-K400 HydrophobicContact CE1-CG 4.41Å; K400-S424 PolarHBondContact N-OG 2.82Å; K400-F433 HydrophobicContact CB-CB 4.11Å; K400-F433 HydrophobicContact CB-CD1 4Å; K400-F433 HydrophobicContact CB-CD2 4.28Å; K400-F433 HydrophobicContact CB-CG 3.86Å; K400-F433 HydrophobicContact CD-CD2 3.93Å; K400-F433 HydrophobicContact CD-CE2 4.08Å; K400-F433 HydrophobicContact CD-CG 4.38Å; K400-F433 HydrophobicContact CG-CD1 4.01Å; K400-F433 HydrophobicContact CG-CD2 3.86Å; K400-F433 HydrophobicContact CG-CE1 4.1Å; K400-F433 HydrophobicContact CG-CE2 3.96Å; K400-F433 HydrophobicContact CG-CG 3.89Å; K400-F433 HydrophobicContact CG-CZ 4.09Å
401	Y	93.5	Very high	89.1	Confident	31 Å²	31	52.5 Å²	52.5	12%	0.122	28%	0.277	C	S	.	.			trans	-157.5	166	179.6	59	-93.4	0	0	0	111.9	Y330 R331 C355 E356 F357 Y403 S424	Y330-Y401 HydrophobicContact CE1-CD1 4.44Å; Y330-Y401 HydrophobicContact CE1-CE1 4.42Å; R331-Y401 HydrophobicContact CB-CD2 4.42Å; R331-Y401 HydrophobicContact CB-CE1 3.94Å; R331-Y401 HydrophobicContact CB-CE2 3.67Å; R331-Y401 VanDerWaalsContact CB-CZ 3.4Å; R331-Y401 WeakPolarHBondContact CB-OH 3.38Å; R331-Y401 HydrophobicContact CG-CE1 3.8Å; R331-Y401 HydrophobicContact CG-CE2 4.42Å; R331-Y401 WeakPolarHBondContact CG-OH 3.28Å; C355-Y401 HydrophobicContact CB-CD2 4.07Å; C355-Y401 HydrophobicContact CB-CG 4.29Å; E356-Y401 CarbonylContact O-C 3.48Å; E356-Y401 VanDerWaalsContact O-CA 3.24Å; E356-Y401 WeakPolarHBondContact O-CA 3.26Å; F357-Y401 HydrophobicContact CE1-CD1 4.3Å; F357-Y401 HydrophobicContact CE1-CG 4.49Å; F357-Y401 HydrophobicContact CZ-CD1 4.41Å; F357-Y401 HydrophobicContact CZ-CG 4.38Å; Y401-Y403 HydrophobicContact CD2-CD1 4.34Å; Y401-Y403 AromaticContact CE2-CD1 3.92Å; Y401-Y403 HydrophobicContact CE2-CD1 3.92Å; Y401-Y403 HydrophobicContact CE2-CG 4.28Å; Y401-S424 WeakPolarHBondContact O-CB 3.34Å; Y401-S424 PolarHBondContact O-N 3.02Å
402	Y	94.6	Very high	89.7	Confident	10 Å²	10	51 Å²	51	4%	0.039	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130	170.5	-82.4	-99.9	0	0	0	109.8	Y320 C355 E356 P358 I387 P399 R421 F422 P423	Y320-Y402 AromaticContact CD1-CD1 3.48Å; Y320-Y402 HydrophobicContact CD1-CD1 3.48Å; Y320-Y402 VanDerWaalsContact CD1-CD1 3.48Å; Y320-Y402 HydrophobicContact CD1-CD2 4.45Å; Y320-Y402 AromaticContact CD1-CE1 3.66Å; Y320-Y402 HydrophobicContact CD1-CE1 3.66Å; Y320-Y402 AromaticContact CD1-CG 3.92Å; Y320-Y402 HydrophobicContact CD1-CG 3.92Å; Y320-Y402 HydrophobicContact CE1-CD1 4.09Å; Y320-Y402 HydrophobicContact CE1-CE1 4.16Å; Y320-Y402 AromaticContact CG-CD1 3.86Å; Y320-Y402 HydrophobicContact CG-CD1 3.86Å; Y320-Y402 HydrophobicContact CG-CD2 4.46Å; Y320-Y402 HydrophobicContact CG-CE1 4.44Å; Y320-Y402 AromaticContact CG-CG 3.88Å; Y320-Y402 HydrophobicContact CG-CG 3.88Å; C355-Y402 VanDerWaalsContact CA-O 3.28Å; C355-Y402 WeakPolarHBondContact CA-O 3.45Å; E356-Y402 PolarHBondContact N-O 3.36Å; E356-Y402 PolarHBondContact O-N 3.5Å; P358-Y402 HydrophobicContact CG-CD2 3.7Å; P358-Y402 HydrophobicContact CG-CE2 3.67Å; I387-Y402 WeakPolarHBondContact CA-OH 3.23Å; I387-Y402 HydrophobicContact CB-CE2 4.08Å; I387-Y402 WeakPolarHBondContact CB-OH 3.27Å; I387-Y402 PolarHBondContact O-OH 3.32Å; P399-Y402 HydrophobicContact CB-CE2 3.98Å; P399-Y402 HydrophobicContact CG-CE2 3.9Å; Y402-R421 HydrophobicContact CD1-CB 4.34Å; Y402-F422 CarbonylContact C-O 3.53Å; Y402-F422 VanDerWaalsContact CA-O 3.26Å; Y402-F422 WeakPolarHBondContact CA-O 3.34Å; Y402-P423 HydrophobicContact CD1-CB 4.36Å; Y402-P423 HydrophobicContact CE1-CB 3.84Å; Y402-P423 HydrophobicContact CE1-CG 4.41Å; Y402-P423 HydrophobicContact CE2-CB 4.4Å
403	Y	94.3	Very high	90.4	Very high	64 Å²	64	44 Å²	44	25%	0.251	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	160.1	-174.8	74.2	-79	0	0	0	112.4	Y401 P405 R421 F422	Y401-Y403 HydrophobicContact CD2-CD1 4.34Å; Y401-Y403 AromaticContact CE2-CD1 3.92Å; Y401-Y403 HydrophobicContact CE2-CD1 3.92Å; Y401-Y403 HydrophobicContact CE2-CG 4.28Å; Y403-P405 HydrophobicContact CE2-CB 4.44Å; Y403-P405 HydrophobicContact CE2-CG 4.41Å; Y403-R421 CarbonylContact O-C 3.59Å; Y403-R421 VanDerWaalsContact O-CA 3.28Å; Y403-R421 WeakPolarHBondContact O-CA 3.22Å; Y403-R421 WeakPolarHBondContact O-CB 3.42Å; Y403-F422 WeakPolarHBondContact CD1-O 3.34Å; Y403-F422 HydrophobicContact CE1-CB 4.22Å; Y403-F422 PolarHBondContact N-O 3.19Å; Y403-F422 PolarHBondContact O-N 3.37Å
404	V	95.3	Very high	91.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	25%	0.245	C	C	.	.			trans	-87.6	120.5	172	-175.5	0	0	0	0	108.7	I353 F408 V409 E412 R421	I353-V404 HydrophobicContact CB-CG2 4.31Å; V404-F408 HydrophobicContact CG1-CB 4.06Å; V404-V409 HydrophobicContact CG1-CG2 4.27Å; V404-E412 HydrophobicContact CG1-CB 4.13Å; V404-E412 HydrophobicContact CG1-CG 4.49Å; V404-E412 HydrophobicContact CG2-CG 4.12Å; V404-R421 HydrophobicContact CG2-CG 3.98Å
405	P	93	Very high	91.6	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.123	26%	0.264	C	S	.	.			trans	-63.8	152.8	175.6	-19.1	30.6	0	0	0	112.1	Y403 D407 F408 V409 F422	Y403-P405 HydrophobicContact CE2-CB 4.44Å; Y403-P405 HydrophobicContact CE2-CG 4.41Å; P405-D407 VanDerWaalsContact C-N 3.27Å; P405-D407 PolarHBondContact O-N 3.03Å; P405-F408 HydrophobicContact CB-CD2 3.91Å; P405-F408 HydrophobicContact CB-CE2 4.46Å; P405-F408 HydrophobicContact CG-CD2 3.88Å; P405-F408 HydrophobicContact CG-CE2 4.36Å; P405-F408 PolarHBondContact O-N 3.11Å; P405-V409 PolarHBondContact O-N 3.04Å; P405-F422 HydrophobicContact CG-CB 4.34Å; P405-F422 HydrophobicContact CG-CD2 3.22Å; P405-F422 HydrophobicContact CG-CE2 3.61Å; P405-F422 HydrophobicContact CG-CG 3.92Å
406	A	91.6	Very high	91.6	Very high	71 Å²	71	55.4 Å²	55.4	59%	0.587	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-52	-43.3	-175.3	0	0	0	0	0	113	A333 F408 V409	A333-A406 HydrophobicContact CB-CB 4.06Å; A406-F408 PolarHBondContact O-N 3.36Å; A406-F408 VanDerWaalsContact O-N 3.09Å; A406-V409 PolarHBondContact O-N 3.41Å
407	D	93.6	Very high	91.5	Very high	149 Å²	149	57.6 Å²	57.6	80%	0.797	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-63.1	-18.2	-178.6	-53.4	-30.4	0	0	0	113.8	P405	P405-D407 VanDerWaalsContact C-N 3.27Å; P405-D407 PolarHBondContact O-N 3.03Å
408	F	93.9	Very high	91.5	Very high	82 Å²	82	59.8 Å²	59.8	36%	0.36	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-110.5	-2.1	-177.1	-58.4	-63.5	0	0	0	113.4	V404 P405 A406 E410 A411 E412 Q419 F422	V404-F408 HydrophobicContact CG1-CB 4.06Å; P405-F408 HydrophobicContact CB-CD2 3.91Å; P405-F408 HydrophobicContact CB-CE2 4.46Å; P405-F408 HydrophobicContact CG-CD2 3.88Å; P405-F408 HydrophobicContact CG-CE2 4.36Å; P405-F408 PolarHBondContact O-N 3.11Å; A406-F408 PolarHBondContact O-N 3.36Å; A406-F408 VanDerWaalsContact O-N 3.09Å; F408-E410 PolarHBondContact O-N 3.03Å; F408-A411 PolarHBondContact O-N 3.34Å; F408-E412 PolarHBondContact O-N 2.95Å; F408-Q419 HydrophobicContact CB-CB 4.19Å; F408-Q419 HydrophobicContact CB-CG 3.99Å; F408-Q419 WeakPolarHBondContact O-CG 3.28Å; F408-F422 HydrophobicContact CE2-CE2 4.33Å
409	V	92.1	Very high	91.6	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-49.4	-176	165.1	0	0	0	0	111.9	A333 N334 I353 V404 P405 A406 A411 E412 Q413	A333-V409 HydrophobicContact CB-CG2 3.72Å; N334-V409 WeakPolarHBondContact ND2-CG1 3.4Å; I353-V409 HydrophobicContact CD1-CG1 4.14Å; I353-V409 HydrophobicContact CD1-CG2 4.37Å; I353-V409 HydrophobicContact CG2-CG1 4.38Å; V404-V409 HydrophobicContact CG1-CG2 4.27Å; P405-V409 PolarHBondContact O-N 3.04Å; A406-V409 PolarHBondContact O-N 3.41Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 2.68Å; V409-E412 PolarHBondContact O-N 3.2Å; V409-Q413 HydrophobicContact CG1-CG 4.33Å; V409-Q413 WeakPolarHBondContact O-CG 3.33Å; V409-Q413 PolarHBondContact O-N 2.98Å
410	E	91.6	Very high	91.7	Very high	143 Å²	143	68.7 Å²	68.7	67%	0.668	36%	0.364	S	S	*	.	H	α-helix	trans	-61.9	-42.8	-176	-173	-178.7	179.3	0	0	111.5	F408 E412 Q413 N414	F408-E410 PolarHBondContact O-N 3.03Å; E410-E412 PolarHBondContact O-N 3.48Å; E410-Q413 PolarHBondContact O-N 2.98Å; E410-N414 WeakPolarHBondContact O-CB 3.4Å; E410-N414 VanDerWaalsContact O-CG 3.29Å; E410-N414 PolarHBondContact O-N 3.01Å; E410-N414 PolarHBondContact O-ND2 2.69Å
411	A	91.8	Very high	91.8	Very high	41 Å²	41	67 Å²	67	34%	0.339	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-39.3	177.1	0	0	0	0	0	112.2	F408 V409 K415 S418 Q419	F408-A411 PolarHBondContact O-N 3.34Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 2.68Å; A411-K415 PolarHBondContact O-N 3.42Å; A411-K415 VanDerWaalsContact O-N 3.13Å; A411-S418 PolarHBondContact O-OG 3.43Å; A411-Q419 HydrophobicContact CB-CG 4.15Å
412	E	92.1	Very high	91.7	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.009	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-41.3	175.5	-177.5	68.8	173	0	0	112	I353 V404 F408 V409 E410 K415 H416 G417 S418 Q419 R421	I353-E412 HydrophobicContact CG2-CB 4.13Å; I353-E412 HydrophobicContact CG2-CG 3.86Å; V404-E412 HydrophobicContact CG1-CB 4.13Å; V404-E412 HydrophobicContact CG1-CG 4.49Å; V404-E412 HydrophobicContact CG2-CG 4.12Å; F408-E412 PolarHBondContact O-N 2.95Å; V409-E412 PolarHBondContact O-N 3.2Å; E410-E412 PolarHBondContact O-N 3.48Å; E412-K415 CarbonylContact O-C 3.56Å; E412-K415 PolarHBondContact O-N 3.09Å; E412-K415 VanDerWaalsContact O-O 3.09Å; E412-H416 VanDerWaalsContact O-CA 3.31Å; E412-H416 WeakPolarHBondContact O-CA 3.17Å; E412-H416 PolarHBondContact O-CD2 3.46Å; E412-H416 PolarHBondContact O-N 3.17Å; E412-H416 VanDerWaalsContact O-N 3.14Å; E412-G417 VanDerWaalsContact CD-N 3.34Å; E412-G417 WeakPolarHBondContact OE1-CA 3.38Å; E412-G417 PolarHBondContact OE1-N 3.33Å; E412-G417 PolarHBondContact OE2-N 2.88Å; E412-S418 PolarHBondContact OE2-N 3.39Å; E412-Q419 HydrophobicContact CB-CB 4.16Å; E412-Q419 HydrophobicContact CB-CG 3.71Å; E412-Q419 WeakPolarHBondContact OE2-CB 3.42Å; E412-Q419 PolarHBondContact OE2-N 3.49Å; E412-R421 IonicContact OE1-CZ 2.62Å; E412-R421 VanDerWaalsContact OE1-CZ 3.3Å; E412-R421 IonicContact OE1-NH1 3.72Å; E412-R421 PolarHBondContact OE1-NH1 3.3Å; E412-R421 IonicContact OE1-NH2 2.64Å; E412-R421 PolarHBondContact OE1-NH2 3.48Å; E412-R421 IonicContact OE2-NH1 3.33Å
413	Q	88.9	Confident	91.5	Very high	65 Å²	65	70.6 Å²	70.6	30%	0.304	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-38.2	178.3	-73.3	177.6	-31.6	0	0	112.2	L349 I353 V409 E410 K415	L349-Q413 PolarHBondContact O-NE2 3.24Å; I353-Q413 HydrophobicContact CG2-CG 3.77Å; V409-Q413 HydrophobicContact CG1-CG 4.33Å; V409-Q413 WeakPolarHBondContact O-CG 3.33Å; V409-Q413 PolarHBondContact O-N 2.98Å; E410-Q413 PolarHBondContact O-N 2.98Å; Q413-K415 VanDerWaalsContact C-N 3.34Å
414	N	89.2	Confident	91.2	Very high	130 Å²	130	67.7 Å²	67.7	70%	0.695	37%	0.365	S	S	*	.	H	α-helix	trans	-68.1	-34.3	176.5	-73.5	-27.1	0	0	0	112.4	E410	E410-N414 WeakPolarHBondContact O-CB 3.4Å; E410-N414 VanDerWaalsContact O-CG 3.29Å; E410-N414 PolarHBondContact O-N 3.01Å; E410-N414 PolarHBondContact O-ND2 2.69Å
415	K	90.1	Very high	89.9	Confident	155 Å²	155	73 Å²	73	67%	0.674	39%	0.393	S	S	*	.	S	Bend	trans	-142.1	97.9	176.2	-173.5	179	-179.6	178.5	0	110.3	A411 E412 Q413 G417 S418	A411-K415 PolarHBondContact O-N 3.42Å; A411-K415 VanDerWaalsContact O-N 3.13Å; E412-K415 CarbonylContact O-C 3.56Å; E412-K415 PolarHBondContact O-N 3.09Å; E412-K415 VanDerWaalsContact O-O 3.09Å; Q413-K415 VanDerWaalsContact C-N 3.34Å; K415-G417 PolarHBondContact O-N 3.28Å; K415-S418 WeakPolarHBondContact O-CB 3.41Å; K415-S418 PolarHBondContact O-N 3.25Å; K415-S418 VanDerWaalsContact O-N 3.11Å; K415-S418 PolarHBondContact O-OG 2.83Å
416	H	87.1	Confident	88.1	Confident	121 Å²	121	73.4 Å²	73.4	56%	0.56	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	133.3	-177.9	-66.1	179.6	0	0	0	112.1	E412 S418	E412-H416 VanDerWaalsContact O-CA 3.31Å; E412-H416 WeakPolarHBondContact O-CA 3.17Å; E412-H416 PolarHBondContact O-CD2 3.46Å; E412-H416 PolarHBondContact O-N 3.17Å; E412-H416 VanDerWaalsContact O-N 3.14Å; H416-S418 VanDerWaalsContact C-N 3.31Å
417	G	85.4	Confident	86.1	Confident	65 Å²	65	71 Å²	71	67%	0.67	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	12.8	-178.8	0	0	0	0	0	114.8	E412 K415	E412-G417 VanDerWaalsContact CD-N 3.34Å; E412-G417 WeakPolarHBondContact OE1-CA 3.38Å; E412-G417 PolarHBondContact OE1-N 3.33Å; E412-G417 PolarHBondContact OE2-N 2.88Å; K415-G417 PolarHBondContact O-N 3.28Å
418	S	90.8	Very high	84	Confident	51 Å²	51	72.5 Å²	72.5	36%	0.357	37%	0.374	S	S	.	.			trans	-79.8	-27.1	178.7	64.4	0	0	0	0	113.4	A411 E412 K415 H416	A411-S418 PolarHBondContact O-OG 3.43Å; E412-S418 PolarHBondContact OE2-N 3.39Å; K415-S418 WeakPolarHBondContact O-CB 3.41Å; K415-S418 PolarHBondContact O-N 3.25Å; K415-S418 VanDerWaalsContact O-N 3.11Å; K415-S418 PolarHBondContact O-OG 2.83Å; H416-S418 VanDerWaalsContact C-N 3.31Å
419	Q	93.4	Very high	81.5	Confident	49 Å²	49	75.9 Å²	75.9	23%	0.229	40%	0.395	C	S	.	.	S	Bend	trans	-102.7	147.3	-172.2	-54.2	-55.2	-49.9	0	0	113	F408 A411 E412	F408-Q419 HydrophobicContact CB-CB 4.19Å; F408-Q419 HydrophobicContact CB-CG 3.99Å; F408-Q419 WeakPolarHBondContact O-CG 3.28Å; A411-Q419 HydrophobicContact CB-CG 4.15Å; E412-Q419 HydrophobicContact CB-CB 4.16Å; E412-Q419 HydrophobicContact CB-CG 3.71Å; E412-Q419 WeakPolarHBondContact OE2-CB 3.42Å; E412-Q419 PolarHBondContact OE2-N 3.49Å
420	K	91.9	Very high	79.6	Confident	138 Å²	138	76.7 Å²	76.7	60%	0.6	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-73.7	135.9	172.4	-168	-179	-179.8	177.3	0	109.8	Y320	Y320-K420 WeakPolarHBondContact OH-CG 3.33Å
421	R	93.7	Very high	78.3	Confident	11 Å²	11	76.1 Å²	76.1	4%	0.042	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-92.5	148.8	173.1	-63.1	179.8	166.6	36.7	-2.7	110.8	Y320 G352 E356 Y402 Y403 V404 E412	Y320-R421 HydrophobicContact CD2-CB 3.87Å; Y320-R421 HydrophobicContact CD2-CG 4.21Å; Y320-R421 HydrophobicContact CE2-CB 3.79Å; Y320-R421 HydrophobicContact CE2-CG 4.12Å; Y320-R421 HydrophobicContact CG-CB 4.46Å; G352-R421 PolarHBondContact O-NH2 2.95Å; E356-R421 IonicContact OE1-NE 2.84Å; Y402-R421 HydrophobicContact CD1-CB 4.34Å; Y403-R421 CarbonylContact O-C 3.59Å; Y403-R421 VanDerWaalsContact O-CA 3.28Å; Y403-R421 WeakPolarHBondContact O-CA 3.22Å; Y403-R421 WeakPolarHBondContact O-CB 3.42Å; V404-R421 HydrophobicContact CG2-CG 3.98Å; E412-R421 IonicContact OE1-CZ 2.62Å; E412-R421 VanDerWaalsContact OE1-CZ 3.3Å; E412-R421 IonicContact OE1-NH1 3.72Å; E412-R421 PolarHBondContact OE1-NH1 3.3Å; E412-R421 IonicContact OE1-NH2 2.64Å; E412-R421 PolarHBondContact OE1-NH2 3.48Å; E412-R421 IonicContact OE2-NH1 3.33Å
422	F	91.9	Very high	77.9	Confident	86 Å²	86	75.1 Å²	75.1	38%	0.377	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.6	-177.9	-71.7	-104	0	0	0	110.1	Y402 Y403 P405 F408	Y402-F422 CarbonylContact C-O 3.53Å; Y402-F422 VanDerWaalsContact CA-O 3.26Å; Y402-F422 WeakPolarHBondContact CA-O 3.34Å; Y403-F422 WeakPolarHBondContact CD1-O 3.34Å; Y403-F422 HydrophobicContact CE1-CB 4.22Å; Y403-F422 PolarHBondContact N-O 3.19Å; Y403-F422 PolarHBondContact O-N 3.37Å; P405-F422 HydrophobicContact CG-CB 4.34Å; P405-F422 HydrophobicContact CG-CD2 3.22Å; P405-F422 HydrophobicContact CG-CE2 3.61Å; P405-F422 HydrophobicContact CG-CG 3.92Å; F408-F422 HydrophobicContact CE2-CE2 4.33Å
423	P	90.9	Very high	77.8	Confident	30 Å²	30	75.7 Å²	75.7	20%	0.195	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	147.4	179.4	32.8	-40.2	0	0	0	110.8	F389 P399 Y402	F389-P423 HydrophobicContact CE2-CB 3.56Å; F389-P423 HydrophobicContact CE2-CG 3.88Å; F389-P423 HydrophobicContact CZ-CB 3.75Å; F389-P423 HydrophobicContact CZ-CG 3.56Å; P399-P423 HydrophobicContact CB-CB 4.22Å; P399-P423 HydrophobicContact CG-CB 4.25Å; Y402-P423 HydrophobicContact CD1-CB 4.36Å; Y402-P423 HydrophobicContact CE1-CB 3.84Å; Y402-P423 HydrophobicContact CE1-CG 4.41Å; Y402-P423 HydrophobicContact CE2-CB 4.4Å
424	S	86.8	Confident	77.9	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.021	38%	0.379	C	S	.	.			trans	-58.5	146.3	167.8	70	0	0	0	0	110.9	K400 Y401 S426	K400-S424 PolarHBondContact N-OG 2.82Å; Y401-S424 WeakPolarHBondContact O-CB 3.34Å; Y401-S424 PolarHBondContact O-N 3.02Å; S424-S426 CarbonylContact O-C 3.11Å; S424-S426 PolarHBondContact O-N 2.82Å; S424-S426 PolarHBondContact OG-OG 3.36Å
425	N	68.3	Low	78.2	Confident	112 Å²	112	67.3 Å²	67.3	60%	0.599	35%	0.348	S	S	*	.	S	Bend	trans	-58.8	-14.6	178.7	-67.8	-4.4	0	0	0	114.5	G427 R428 D429	N425-G427 VanDerWaalsContact C-N 3.26Å; N425-G427 PolarHBondContact O-N 2.87Å; N425-R428 PolarHBondContact O-N 2.9Å; N425-D429 PolarHBondContact O-N 3.18Å
426	S	55.7	Low	78.4	Confident	29 Å²	29	59.9 Å²	59.9	20%	0.203	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	88.6	161.4	11.2	0	0	0	0	109.4	S424	S424-S426 CarbonylContact O-C 3.11Å; S424-S426 PolarHBondContact O-N 2.82Å; S424-S426 PolarHBondContact OG-OG 3.36Å
427	G	49.6	Very low	78.7	Confident	20 Å²	20	54.2 Å²	54.2	21%	0.206	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	138.6	-12.7	-173.4	0	0	0	0	0	114.2	N425	N425-G427 VanDerWaalsContact C-N 3.26Å; N425-G427 PolarHBondContact O-N 2.87Å
428	R	48.9	Very low	79.3	Confident	181 Å²	181	51.1 Å²	51.1	68%	0.683	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.2	-22.9	172.4	-74	-169.2	-177.3	-166.8	-2.7	116.4	N425	N425-R428 PolarHBondContact O-N 2.9Å
429	D	41.1	Very low	79.6	Confident	152 Å²	152	48.7 Å²	48.7	81%	0.813	24%	0.241	S	C	*	.	S	Bend	trans	-160.4	66.8	172.6	-85.7	-42	0	0	0	112	N425	N425-D429 PolarHBondContact O-N 3.18Å
430	G	51.6	Low	79.8	Confident	26 Å²	26	48 Å²	48	27%	0.268	24%	0.236	S	C	.	.	S	Bend	trans	156.7	70.3	-178	0	0	0	0	0	112.4	M432	G430-M432 PolarHBondContact O-N 3.36Å
431	K	65.4	Low	80.1	Confident	131 Å²	131	41.6 Å²	41.6	57%	0.57	21%	0.209	S	C	*	.				-56.5	-37.5	-123.1	-68.5	176.8	176.8	178.5	0	121.1
432	M	82.3	Confident	80.3	Confident	20 Å²	20	41.1 Å²	41.1	10%	0.099	21%	0.207	C	C	.	.			trans	-146.5	138.6	-171.2	-68.3	-68.1	169.1	0	0	114.5	T51 Y55 T67 V397 G430 L434	T51-M432 HydrophobicContact CG2-CE 4.13Å; Y55-M432 HydrophobicContact CE2-CB 4.42Å; Y55-M432 HydrophobicContact CE2-CG 4.25Å; T67-M432 HydrophobicContact CG2-CB 4.3Å; T67-M432 PolarHBondContact OG1-N 3.4Å; T67-M432 VanDerWaalsContact OG1-N 3.14Å; T67-M432 PolarHBondContact OG1-O 3.41Å; V397-M432 HydrophobicContact CB-CE 4.31Å; V397-M432 HydrophobicContact CB-SD 4.28Å; V397-M432 HydrophobicContact CG1-CE 4.08Å; V397-M432 HydrophobicContact CG1-SD 3.68Å; V397-M432 HydrophobicContact CG2-CE 3.4Å; V397-M432 VanDerWaalsContact CG2-CE 3.4Å; V397-M432 HydrophobicContact CG2-SD 3.98Å; G430-M432 PolarHBondContact O-N 3.36Å; M432-L434 HydrophobicContact CB-CD2 4.08Å
433	F	90.1	Very high	80.5	Confident	15 Å²	15	37 Å²	37	7%	0.066	19%	0.189	C	C	.	.			trans	-90.6	93.2	167	172.2	-133.7	0	0	0	110	M359 K400 W435 G436 Q437	M359-F433 HydrophobicContact CB-CE1 4.4Å; M359-F433 HydrophobicContact SD-CE1 3.94Å; M359-F433 HydrophobicContact SD-CZ 3.97Å; K400-F433 HydrophobicContact CB-CB 4.11Å; K400-F433 HydrophobicContact CB-CD1 4Å; K400-F433 HydrophobicContact CB-CD2 4.28Å; K400-F433 HydrophobicContact CB-CG 3.86Å; K400-F433 HydrophobicContact CD-CD2 3.93Å; K400-F433 HydrophobicContact CD-CE2 4.08Å; K400-F433 HydrophobicContact CD-CG 4.38Å; K400-F433 HydrophobicContact CG-CD1 4.01Å; K400-F433 HydrophobicContact CG-CD2 3.86Å; K400-F433 HydrophobicContact CG-CE1 4.1Å; K400-F433 HydrophobicContact CG-CE2 3.96Å; K400-F433 HydrophobicContact CG-CG 3.89Å; K400-F433 HydrophobicContact CG-CZ 4.09Å; F433-W435 HydrophobicContact CE2-CB 3.73Å; F433-W435 HydrophobicContact CZ-CB 3.79Å; F433-W435 HydrophobicContact CZ-CD2 4.41Å; F433-W435 HydrophobicContact CZ-CE3 4.37Å; F433-W435 HydrophobicContact CZ-CG 4.22Å; F433-W435 PolarHBondContact O-N 3.43Å; F433-G436 VanDerWaalsContact CE1-CA 3.42Å; F433-G436 PolarHBondContact O-N 2.86Å; F433-Q437 WeakPolarHBondContact O-CB 3.32Å; F433-Q437 PolarHBondContact O-N 3.42Å
434	L	92.8	Very high	80.8	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-39.3	-167.6	-61.4	-175.7	0	0	0	114.2	T51 I52 Y55 F63 P64 T67 M432 Q437 A438	T51-L434 VanDerWaalsContact O-CD2 3.3Å; T51-L434 WeakPolarHBondContact O-CD2 3.5Å; I52-L434 HydrophobicContact CD1-CD2 4.19Å; Y55-L434 HydrophobicContact CD2-CD2 3.75Å; Y55-L434 HydrophobicContact CE2-CD2 4.27Å; Y55-L434 HydrophobicContact CG-CD2 4.41Å; F63-L434 HydrophobicContact CB-CD1 4.05Å; F63-L434 HydrophobicContact CD1-CD1 4.33Å; P64-L434 HydrophobicContact CG-CD1 4.49Å; P64-L434 WeakPolarHBondContact O-CD1 3.39Å; T67-L434 HydrophobicContact CG2-CD1 4.12Å; T67-L434 HydrophobicContact CG2-CD2 3.95Å; T67-L434 HydrophobicContact CG2-CG 3.97Å; M432-L434 HydrophobicContact CB-CD2 4.08Å; L434-Q437 PolarHBondContact O-N 2.99Å; L434-A438 VanDerWaalsContact O-CB 3.24Å; L434-A438 WeakPolarHBondContact O-CB 3.48Å; L434-A438 PolarHBondContact O-N 2.67Å
435	W	93.8	Very high	81.3	Confident	12 Å²	12	36.8 Å²	36.8	5%	0.045	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-51.5	177.3	178.6	10.6	0	0	0	111.6	R77 Y81 M212 W213 M359 Y363 F433 Q437 A438 M439	R77-W435 HydrophobicContact CG-CH2 4.47Å; Y81-W435 AromaticContact CD1-NE1 3.98Å; Y81-W435 AromaticContact CD2-CD1 3.31Å; Y81-W435 HydrophobicContact CD2-CD2 4.07Å; Y81-W435 AromaticContact CD2-CE2 3.55Å; Y81-W435 AromaticContact CD2-CG 3.97Å; Y81-W435 HydrophobicContact CD2-CG 3.97Å; Y81-W435 HydrophobicContact CD2-CZ2 4.18Å; Y81-W435 AromaticContact CD2-NE1 3.05Å; Y81-W435 AromaticContact CE2-CD1 3.89Å; Y81-W435 HydrophobicContact CE2-CD2 4.27Å; Y81-W435 AromaticContact CE2-CE2 3.36Å; Y81-W435 AromaticContact CE2-CZ2 3.53Å; Y81-W435 HydrophobicContact CE2-CZ2 3.53Å; Y81-W435 AromaticContact CE2-NE1 3.11Å; Y81-W435 AromaticContact CG-CD1 3.5Å; Y81-W435 HydrophobicContact CG-CG 4.43Å; Y81-W435 AromaticContact CG-NE1 3.51Å; Y81-W435 AromaticContact CZ-NE1 3.62Å; M212-W435 HydrophobicContact CE-CH2 4.04Å; M212-W435 HydrophobicContact CG-CH2 4.19Å; M212-W435 HydrophobicContact SD-CH2 3.83Å; M212-W435 HydrophobicContact SD-CZ2 4.33Å; W213-W435 HydrophobicContact CZ3-CH2 4.47Å; W213-W435 HydrophobicContact CZ3-CZ3 4.38Å; M359-W435 HydrophobicContact CE-CD2 4.15Å; M359-W435 HydrophobicContact CE-CE3 4.49Å; M359-W435 HydrophobicContact CE-CH2 4.28Å; M359-W435 HydrophobicContact CE-CZ2 3.94Å; M359-W435 HydrophobicContact SD-CD2 3.85Å; M359-W435 HydrophobicContact SD-CG 3.86Å; M359-W435 HydrophobicContact SD-CZ2 4.44Å; Y363-W435 PolarHBondContact OH-NE1 3.29Å; F433-W435 HydrophobicContact CE2-CB 3.73Å; F433-W435 HydrophobicContact CZ-CB 3.79Å; F433-W435 HydrophobicContact CZ-CD2 4.41Å; F433-W435 HydrophobicContact CZ-CE3 4.37Å; F433-W435 HydrophobicContact CZ-CG 4.22Å; F433-W435 PolarHBondContact O-N 3.43Å; W435-Q437 VanDerWaalsContact C-N 3.29Å; W435-Q437 PolarHBondContact O-N 3.33Å; W435-A438 PolarHBondContact O-N 3.14Å; W435-M439 WeakPolarHBondContact O-CG 3.18Å; W435-M439 PolarHBondContact O-N 3.11Å
436	G	94.4	Very high	82.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-37.5	177.1	0	0	0	0	0	112.7	F433 M439 Y440	F433-G436 VanDerWaalsContact CE1-CA 3.42Å; F433-G436 PolarHBondContact O-N 2.86Å; G436-M439 PolarHBondContact O-N 2.94Å; G436-Y440 WeakPolarHBondContact O-CB 3.33Å; G436-Y440 PolarHBondContact O-N 2.88Å
437	Q	94.9	Very high	84.6	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-43.1	178	-166	65.9	37.1	0	0	112.4	I52 A396 F433 L434 W435 Y440 N441	I52-Q437 HydrophobicContact CD1-CB 3.89Å; I52-Q437 HydrophobicContact CD1-CG 3.9Å; A396-Q437 PolarHBondContact O-NE2 3.38Å; A396-Q437 PolarHBondContact O-OE1 3.3Å; F433-Q437 WeakPolarHBondContact O-CB 3.32Å; F433-Q437 PolarHBondContact O-N 3.42Å; L434-Q437 PolarHBondContact O-N 2.99Å; W435-Q437 VanDerWaalsContact C-N 3.29Å; W435-Q437 PolarHBondContact O-N 3.33Å; Q437-Y440 WeakPolarHBondContact O-CB 3.46Å; Q437-Y440 PolarHBondContact O-N 3.44Å; Q437-N441 PolarHBondContact O-N 3.06Å; Q437-N441 PolarHBondContact O-ND2 2.84Å
438	A	97.1	Very high	86.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-46.4	176	0	0	0	0	0	111.2	I52 Y81 C85 L434 W435 Y440 N441 I442	I52-A438 HydrophobicContact CD1-CB 4.2Å; Y81-A438 WeakPolarHBondContact O-CB 3.39Å; C85-A438 HydrophobicContact CB-CB 3.69Å; L434-A438 VanDerWaalsContact O-CB 3.24Å; L434-A438 WeakPolarHBondContact O-CB 3.48Å; L434-A438 PolarHBondContact O-N 2.67Å; W435-A438 PolarHBondContact O-N 3.14Å; A438-Y440 VanDerWaalsContact C-N 3.34Å; A438-Y440 PolarHBondContact O-N 2.97Å; A438-N441 PolarHBondContact O-N 3.41Å; A438-I442 WeakPolarHBondContact O-CG1 3.33Å; A438-I442 PolarHBondContact O-N 3.2Å
439	M	97.4	Very high	88.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-38.7	176.9	-68.3	-55.6	-59.7	0	0	112.3	Y81 Y294 I362 Y363 I366 W435 G436 I442 A443	Y81-M439 HydrophobicContact CD1-CG 4.36Å; Y81-M439 HydrophobicContact CD1-SD 3.38Å; Y81-M439 WeakPolarHBondContact CD1-SD 3.48Å; Y81-M439 HydrophobicContact CE1-SD 3.62Å; Y81-M439 HydrophobicContact CG-SD 4.26Å; Y294-M439 HydrophobicContact CD1-CE 4Å; Y294-M439 HydrophobicContact CE1-CE 3.97Å; Y294-M439 HydrophobicContact CE1-SD 4.45Å; I362-M439 HydrophobicContact CG2-CB 4.02Å; I362-M439 WeakPolarHBondContact CG2-O 3.43Å; Y363-M439 HydrophobicContact CD1-CE 4.1Å; Y363-M439 HydrophobicContact CE1-CE 3.61Å; Y363-M439 HydrophobicContact CE2-CE 4.4Å; I366-M439 HydrophobicContact CD1-CE 3.33Å; W435-M439 WeakPolarHBondContact O-CG 3.18Å; W435-M439 PolarHBondContact O-N 3.11Å; G436-M439 PolarHBondContact O-N 2.94Å; M439-I442 PolarHBondContact O-N 3.42Å; M439-I442 HydrophobicContact SD-CD1 4.38Å; M439-A443 WeakPolarHBondContact O-CB 3.28Å; M439-A443 PolarHBondContact O-N 2.89Å
440	Y	97.3	Very high	91.3	Very high	34 Å²	34	25.2 Å²	25.2	13%	0.133	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-47.8	176.1	177.7	-101.4	0	0	0	111.9	I362 L384 A396 I398 G436 Q437 A438 I442 A443 K444	I362-Y440 HydrophobicContact CD1-CD2 4.2Å; I362-Y440 HydrophobicContact CD1-CG 4.49Å; L384-Y440 HydrophobicContact CD2-CD2 4.09Å; L384-Y440 HydrophobicContact CD2-CE2 4.13Å; A396-Y440 HydrophobicContact CB-CD1 4.34Å; A396-Y440 HydrophobicContact CB-CE1 3.52Å; I398-Y440 HydrophobicContact CD1-CD1 4.34Å; I398-Y440 HydrophobicContact CD1-CD2 3.62Å; I398-Y440 HydrophobicContact CD1-CE2 4.11Å; I398-Y440 HydrophobicContact CD1-CG 3.73Å; I398-Y440 HydrophobicContact CG1-CD2 4.3Å; I398-Y440 HydrophobicContact CG1-CG 3.97Å; G436-Y440 WeakPolarHBondContact O-CB 3.33Å; G436-Y440 PolarHBondContact O-N 2.88Å; Q437-Y440 WeakPolarHBondContact O-CB 3.46Å; Q437-Y440 PolarHBondContact O-N 3.44Å; A438-Y440 VanDerWaalsContact C-N 3.34Å; A438-Y440 PolarHBondContact O-N 2.97Å; Y440-I442 VanDerWaalsContact C-N 3.34Å; Y440-I442 PolarHBondContact O-N 3.15Å; Y440-A443 PolarHBondContact O-N 3.05Å; Y440-K444 HydrophobicContact CD1-CG 4.28Å; Y440-K444 HydrophobicContact CD2-CG 4.35Å; Y440-K444 HydrophobicContact CE1-CG 3.81Å; Y440-K444 HydrophobicContact CE2-CD 4.34Å; Y440-K444 HydrophobicContact CE2-CG 3.92Å; Y440-K444 WeakPolarHBondContact O-CB 3.3Å; Y440-K444 WeakPolarHBondContact O-CG 3.42Å; Y440-K444 PolarHBondContact O-N 3.12Å
441	N	97.3	Very high	93.3	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-44.1	178.7	-69	-25.3	0	0	0	110.9	V48 C85 Q437 A438 K444 L445	V48-N441 HydrophobicContact CG2-CB 4.31Å; C85-N441 VanDerWaalsContact SG-CB 3.58Å; Q437-N441 PolarHBondContact O-N 3.06Å; Q437-N441 PolarHBondContact O-ND2 2.84Å; A438-N441 PolarHBondContact O-N 3.41Å; N441-K444 PolarHBondContact O-N 3.41Å; N441-L445 VanDerWaalsContact O-CG 3.29Å; N441-L445 WeakPolarHBondContact O-CG 3.36Å; N441-L445 PolarHBondContact O-N 3.33Å
442	I	97.9	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.9	-48.3	175.1	-66.1	166.7	0	0	0	111	A84 C85 A88 I366 A438 M439 Y440 K444 L445 L446 I456	A84-I442 HydrophobicContact CB-CD1 4.22Å; C85-I442 HydrophobicContact CB-CD1 4.26Å; C85-I442 HydrophobicContact CB-CG1 4.21Å; A88-I442 HydrophobicContact CB-CG1 4.1Å; I366-I442 HydrophobicContact CD1-CG2 4.45Å; A438-I442 WeakPolarHBondContact O-CG1 3.33Å; A438-I442 PolarHBondContact O-N 3.2Å; M439-I442 PolarHBondContact O-N 3.42Å; M439-I442 HydrophobicContact SD-CD1 4.38Å; Y440-I442 VanDerWaalsContact C-N 3.34Å; Y440-I442 PolarHBondContact O-N 3.15Å; I442-K444 VanDerWaalsContact C-N 3.3Å; I442-K444 PolarHBondContact O-N 3.5Å; I442-L445 PolarHBondContact O-N 3.08Å; I442-L446 HydrophobicContact CG2-CD1 4.06Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 3.09Å; I442-I456 HydrophobicContact CG2-CD1 3.99Å
443	A	97.9	Very high	95.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-40.9	179.1	0	0	0	0	0	111.9	I362 I366 M439 Y440 L446 V447	I362-A443 HydrophobicContact CG2-CB 3.55Å; I366-A443 HydrophobicContact CD1-CB 4.03Å; I366-A443 HydrophobicContact CG1-CB 3.65Å; M439-A443 WeakPolarHBondContact O-CB 3.28Å; M439-A443 PolarHBondContact O-N 2.89Å; Y440-A443 PolarHBondContact O-N 3.05Å; A443-L446 WeakPolarHBondContact O-CB 3.35Å; A443-L446 PolarHBondContact O-N 2.87Å; A443-V447 WeakPolarHBondContact O-CB 3.49Å; A443-V447 WeakPolarHBondContact O-CG2 3.42Å; A443-V447 PolarHBondContact O-N 2.9Å
444	K	96.9	Very high	95.3	Very high	27 Å²	27	24.6 Å²	24.6	12%	0.117	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-40.1	178	-77.6	-59.9	-60.9	149.9	0	113.1	Y44 Y440 N441 I442 L446 V447 D448	Y44-K444 HydrophobicContact CE1-CB 3.77Å; Y440-K444 HydrophobicContact CD1-CG 4.28Å; Y440-K444 HydrophobicContact CD2-CG 4.35Å; Y440-K444 HydrophobicContact CE1-CG 3.81Å; Y440-K444 HydrophobicContact CE2-CD 4.34Å; Y440-K444 HydrophobicContact CE2-CG 3.92Å; Y440-K444 WeakPolarHBondContact O-CB 3.3Å; Y440-K444 WeakPolarHBondContact O-CG 3.42Å; Y440-K444 PolarHBondContact O-N 3.12Å; N441-K444 PolarHBondContact O-N 3.41Å; I442-K444 VanDerWaalsContact C-N 3.3Å; I442-K444 PolarHBondContact O-N 3.5Å; K444-L446 VanDerWaalsContact C-N 3.27Å; K444-L446 PolarHBondContact O-N 3.31Å; K444-V447 PolarHBondContact O-N 3.42Å; K444-D448 IonicContact NZ-OD1 3.96Å; K444-D448 PolarHBondContact NZ-OD1 3.24Å; K444-D448 IonicContact NZ-OD2 2.88Å; K444-D448 VanDerWaalsContact O-CB 3.29Å; K444-D448 WeakPolarHBondContact O-CB 3.41Å; K444-D448 PolarHBondContact O-N 3.44Å
445	L	96.7	Very high	95.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-60.1	-37.9	172.5	-69.5	171.5	0	0	0	112.1	Y44 A88 L89 N441 I442 E449 L450 I451	Y44-L445 HydrophobicContact CD1-CD2 3.96Å; Y44-L445 HydrophobicContact CD1-CG 4.39Å; Y44-L445 HydrophobicContact CD2-CD2 3.97Å; Y44-L445 HydrophobicContact CE1-CD2 4.39Å; Y44-L445 HydrophobicContact CE2-CD2 4.39Å; Y44-L445 HydrophobicContact CG-CD2 3.75Å; A88-L445 HydrophobicContact CB-CD1 4.26Å; L89-L445 HydrophobicContact CB-CD1 4.15Å; L89-L445 HydrophobicContact CD1-CD1 4.29Å; L89-L445 HydrophobicContact CD1-CD2 3.95Å; N441-L445 VanDerWaalsContact O-CG 3.29Å; N441-L445 WeakPolarHBondContact O-CG 3.36Å; N441-L445 PolarHBondContact O-N 3.33Å; I442-L445 PolarHBondContact O-N 3.08Å; L445-E449 PolarHBondContact O-N 3.45Å; L445-L450 HydrophobicContact CD2-CB 4.21Å; L445-L450 HydrophobicContact CD2-CD1 3.84Å; L445-L450 PolarHBondContact O-N 3.26Å; L445-I451 HydrophobicContact CB-CD1 3.61Å; L445-I451 HydrophobicContact CB-CG1 3.79Å; L445-I451 HydrophobicContact CD1-CD1 4.24Å; L445-I451 PolarHBondContact O-N 3.39Å
446	L	96.9	Very high	95.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-70.8	-47.3	176.1	-76.2	166.8	0	0	0	112.7	I366 V369 F370 I442 A443 K444 D448 E449 I451 I456	I366-L446 HydrophobicContact CG1-CD1 4.18Å; I366-L446 HydrophobicContact CG2-CD1 4.1Å; V369-L446 HydrophobicContact CG1-CB 4.21Å; V369-L446 HydrophobicContact CG1-CD2 4.39Å; V369-L446 HydrophobicContact CG2-CB 4.27Å; F370-L446 HydrophobicContact CE2-CD1 4.32Å; I442-L446 HydrophobicContact CG2-CD1 4.06Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 3.09Å; A443-L446 WeakPolarHBondContact O-CB 3.35Å; A443-L446 PolarHBondContact O-N 2.87Å; K444-L446 VanDerWaalsContact C-N 3.27Å; K444-L446 PolarHBondContact O-N 3.31Å; L446-D448 VanDerWaalsContact C-N 3.32Å; L446-D448 PolarHBondContact O-N 3.48Å; L446-E449 PolarHBondContact O-N 2.91Å; L446-E449 VanDerWaalsContact O-N 3.1Å; L446-I451 HydrophobicContact CD2-CD1 4.31Å; L446-I451 HydrophobicContact CD2-CG1 3.87Å; L446-I451 HydrophobicContact CG-CD1 4.17Å; L446-I451 HydrophobicContact CG-CG1 4.02Å; L446-I456 HydrophobicContact CD1-CD1 3.78Å; L446-I456 HydrophobicContact CD2-CD1 4.06Å; L446-I456 HydrophobicContact CG-CD1 4.24Å
447	V	96.2	Very high	95.2	Very high	33 Å²	33	25.3 Å²	25.3	20%	0.2	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-36.7	-178.5	168.8	0	0	0	0	111.5	M365 V369 V377 A443 K444 E449	M365-V447 HydrophobicContact CE-CG2 4.14Å; V369-V447 HydrophobicContact CG2-CG2 3.98Å; V377-V447 HydrophobicContact CG1-CG1 4.28Å; V377-V447 HydrophobicContact CG1-CG2 3.68Å; A443-V447 WeakPolarHBondContact O-CB 3.49Å; A443-V447 WeakPolarHBondContact O-CG2 3.42Å; A443-V447 PolarHBondContact O-N 2.9Å; K444-V447 PolarHBondContact O-N 3.42Å; V447-E449 PolarHBondContact O-N 3.39Å
448	D	93.6	Very high	95	Very high	62 Å²	62	26.6 Å²	26.6	33%	0.332	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	7.4	176.7	-65.1	11.3	0	0	0	112.3	Y44 K444 L446 L450	Y44-D448 PolarHBondContact OH-OD2 3.11Å; K444-D448 IonicContact NZ-OD1 3.96Å; K444-D448 PolarHBondContact NZ-OD1 3.24Å; K444-D448 IonicContact NZ-OD2 2.88Å; K444-D448 VanDerWaalsContact O-CB 3.29Å; K444-D448 WeakPolarHBondContact O-CB 3.41Å; K444-D448 PolarHBondContact O-N 3.44Å; L446-D448 VanDerWaalsContact C-N 3.32Å; L446-D448 PolarHBondContact O-N 3.48Å; D448-L450 HydrophobicContact CB-CD1 4.33Å; D448-L450 HydrophobicContact CB-CG 4.15Å; D448-L450 PolarHBondContact O-N 2.93Å
449	E	93.4	Very high	94.5	Very high	141 Å²	141	27 Å²	27	66%	0.659	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	18.6	177.2	-56.6	-177.2	176.4	0	0	114.5	L445 L446 V447 I451	L445-E449 PolarHBondContact O-N 3.45Å; L446-E449 PolarHBondContact O-N 2.91Å; L446-E449 VanDerWaalsContact O-N 3.1Å; V447-E449 PolarHBondContact O-N 3.39Å; E449-I451 VanDerWaalsContact C-N 3.29Å; E449-I451 PolarHBondContact O-N 2.79Å
450	L	93.3	Very high	94	Very high	12 Å²	12	29 Å²	29	6%	0.063	15%	0.147	C	C	.	.	S	Bend	trans	-71	-28.7	177	-64.1	177.4	0	0	0	112.1	L37 L41 Y44 R95 L445 D448	L37-L450 HydrophobicContact CD1-CD2 3.38Å; L41-L450 HydrophobicContact CD2-CB 4.47Å; L41-L450 HydrophobicContact CD2-CD1 4.01Å; Y44-L450 HydrophobicContact CD2-CD1 3.47Å; Y44-L450 VanDerWaalsContact CD2-CD1 3.47Å; Y44-L450 HydrophobicContact CE2-CD1 3.35Å; R95-L450 PolarHBondContact NH1-O 3.3Å; L445-L450 HydrophobicContact CD2-CB 4.21Å; L445-L450 HydrophobicContact CD2-CD1 3.84Å; L445-L450 PolarHBondContact O-N 3.26Å; D448-L450 HydrophobicContact CB-CD1 4.33Å; D448-L450 HydrophobicContact CB-CG 4.15Å; D448-L450 PolarHBondContact O-N 2.93Å
451	I	94.6	Very high	93.5	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	14%	0.144	C	C	.	.	S	Bend	trans	-129	155.5	166.6	64.4	-175	0	0	0	109.3	A88 A92 L445 L446 E449 D455 I456	A88-I451 HydrophobicContact CB-CD1 3.93Å; A88-I451 WeakPolarHBondContact O-CG2 3.38Å; A92-I451 HydrophobicContact CB-CG2 3.51Å; L445-I451 HydrophobicContact CB-CD1 3.61Å; L445-I451 HydrophobicContact CB-CG1 3.79Å; L445-I451 HydrophobicContact CD1-CD1 4.24Å; L445-I451 PolarHBondContact O-N 3.39Å; L446-I451 HydrophobicContact CD2-CD1 4.31Å; L446-I451 HydrophobicContact CD2-CG1 3.87Å; L446-I451 HydrophobicContact CG-CD1 4.17Å; L446-I451 HydrophobicContact CG-CG1 4.02Å; E449-I451 VanDerWaalsContact C-N 3.29Å; E449-I451 PolarHBondContact O-N 2.79Å; I451-D455 HydrophobicContact CB-CB 4.32Å; I451-I456 HydrophobicContact CD1-CG2 3.87Å
452	S	93.7	Very high	93	Very high	39 Å²	39	31 Å²	31	27%	0.273	15%	0.154	S	C	.	.			trans	-103.6	161.3	173.5	74.4	0	0	0	0	110.4	K454 D455	S452-K454 PolarHBondContact O-N 2.81Å; S452-K454 PolarHBondContact OG-N 3.14Å; S452-D455 WeakPolarHBondContact CA-OD2 3.04Å; S452-D455 WeakPolarHBondContact CB-OD2 3.35Å; S452-D455 PolarHBondContact N-OD2 3.31Å; S452-D455 PolarHBondContact O-N 3.03Å; S452-D455 PolarHBondContact OG-OD2 2.92Å
453	P	93.9	Very high	92.2	Very high	24 Å²	24	32 Å²	32	16%	0.156	16%	0.161	C	C	.	.	H	α-helix	trans	-45.9	-35.5	170.3	-35.9	40.6	0	0	0	114.9	V369 F370 D455 I456 D457 Y462	V369-P453 HydrophobicContact CG1-CG 4.25Å; F370-P453 HydrophobicContact CD1-CB 3.71Å; F370-P453 HydrophobicContact CD1-CG 4.27Å; F370-P453 HydrophobicContact CE1-CB 3.53Å; F370-P453 HydrophobicContact CE1-CG 4.42Å; F370-P453 HydrophobicContact CG-CB 4.41Å; F370-P453 HydrophobicContact CZ-CB 4.07Å; P453-D455 VanDerWaalsContact C-N 3.28Å; P453-D455 PolarHBondContact O-N 3.4Å; P453-I456 PolarHBondContact O-N 3.49Å; P453-D457 PolarHBondContact O-N 3.12Å; P453-Y462 HydrophobicContact CB-CD1 4.4Å; P453-Y462 HydrophobicContact CB-CE1 3.81Å; P453-Y462 HydrophobicContact CB-CE2 4.16Å
454	K	91.3	Very high	90.8	Very high	113 Å²	113	35.5 Å²	35.5	49%	0.491	18%	0.184	S	C	.	.	H	α-helix	trans	-71	-19.8	-178.5	-61.3	-179.6	-179.3	175.5	0	114.1	S452 D457 P458 Y462	S452-K454 PolarHBondContact O-N 2.81Å; S452-K454 PolarHBondContact OG-N 3.14Å; K454-D457 CarbonylContact O-C 3.6Å; K454-P458 VanDerWaalsContact O-CA 3.24Å; K454-P458 WeakPolarHBondContact O-CA 3.39Å; K454-Y462 HydrophobicContact CG-CE1 4.34Å; K454-Y462 WeakPolarHBondContact CG-OH 3.42Å
455	D	92.4	Very high	89.1	Confident	30 Å²	30	37.2 Å²	37.2	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-79.2	-28.1	-178.9	-58.9	-70.2	0	0	0	111.8	W87 M91 R95 I451 S452 P453	W87-D455 WeakPolarHBondContact CZ2-O 3.46Å; M91-D455 HydrophobicContact CB-CB 4.25Å; M91-D455 HydrophobicContact CE-CB 4.48Å; R95-D455 IonicContact CZ-OD2 3.58Å; R95-D455 IonicContact NH2-OD1 3.34Å; R95-D455 IonicContact NH2-OD2 2.69Å; R95-D455 PolarHBondContact NH2-OD2 3.39Å; I451-D455 HydrophobicContact CB-CB 4.32Å; S452-D455 WeakPolarHBondContact CA-OD2 3.04Å; S452-D455 WeakPolarHBondContact CB-OD2 3.35Å; S452-D455 PolarHBondContact N-OD2 3.31Å; S452-D455 PolarHBondContact O-N 3.03Å; S452-D455 PolarHBondContact OG-OD2 2.92Å; P453-D455 VanDerWaalsContact C-N 3.28Å; P453-D455 PolarHBondContact O-N 3.4Å
456	I	93.6	Very high	87.2	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-108.9	-5.3	-179.5	63.2	169.6	0	0	0	113.9	W87 A88 Y294 F370 I442 L446 I451 P453	W87-I456 VanDerWaalsContact CH2-CA 3.44Å; W87-I456 HydrophobicContact CH2-CB 4.28Å; W87-I456 WeakPolarHBondContact CH2-O 3.42Å; W87-I456 HydrophobicContact CZ3-CB 4.08Å; W87-I456 HydrophobicContact CZ3-CG2 4.36Å; A88-I456 HydrophobicContact CB-CG2 3.8Å; Y294-I456 HydrophobicContact CD2-CD1 4.15Å; Y294-I456 HydrophobicContact CE2-CB 4.38Å; Y294-I456 HydrophobicContact CE2-CD1 3.71Å; Y294-I456 HydrophobicContact CE2-CG1 4.1Å; F370-I456 HydrophobicContact CE2-CD1 4.04Å; F370-I456 HydrophobicContact CZ-CD1 3.93Å; F370-I456 HydrophobicContact CZ-CG1 4.02Å; I442-I456 HydrophobicContact CG2-CD1 3.99Å; L446-I456 HydrophobicContact CD1-CD1 3.78Å; L446-I456 HydrophobicContact CD2-CD1 4.06Å; L446-I456 HydrophobicContact CG-CD1 4.24Å; I451-I456 HydrophobicContact CD1-CG2 3.87Å; P453-I456 PolarHBondContact O-N 3.49Å
457	D	92.8	Very high	85.3	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.011	25%	0.252	C	S	.	.			trans	-136.1	66.4	166	179.9	4.9	0	0	0	108.6	E176 F370 P453 K454 I459 Q460 R461 Y462	E176-D457 WeakPolarHBondContact OE2-CA 3.44Å; F370-D457 HydrophobicContact CE1-CB 4.34Å; P453-D457 PolarHBondContact O-N 3.12Å; K454-D457 CarbonylContact O-C 3.6Å; D457-I459 PolarHBondContact O-N 3.01Å; D457-Q460 WeakPolarHBondContact O-CA 3.34Å; D457-Q460 PolarHBondContact O-N 2.98Å; D457-Q460 PolarHBondContact OD1-N 3.5Å; D457-R461 VanDerWaalsContact CG-N 3.3Å; D457-R461 PolarHBondContact OD1-N 3.18Å; D457-R461 WeakPolarHBondContact OD2-CA 3.49Å; D457-R461 PolarHBondContact OD2-N 3.05Å; D457-Y462 HydrophobicContact CB-CD1 4.22Å; D457-Y462 VanDerWaalsContact OD2-CD1 3.31Å; D457-Y462 WeakPolarHBondContact OD2-CD1 3.28Å; D457-Y462 PolarHBondContact OD2-N 3.19Å
458	P	90.4	Very high	83.6	Confident	29 Å²	29	49.9 Å²	49.9	19%	0.188	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23	178.8	21.4	-35.9	0	0	0	114.5	W87 E176 C179 K454 Q460	W87-P458 HydrophobicContact CZ2-CG 4.47Å; E176-P458 HydrophobicContact CB-CG 4.46Å; E176-P458 VanDerWaalsContact O-CG 3.3Å; E176-P458 WeakPolarHBondContact O-CG 3.25Å; E176-P458 WeakPolarHBondContact OE2-CD 3.24Å; E176-P458 WeakPolarHBondContact OE2-CG 3.32Å; C179-P458 HydrophobicContact CB-CB 4.31Å; C179-P458 HydrophobicContact CB-CG 4.01Å; K454-P458 VanDerWaalsContact O-CA 3.24Å; K454-P458 WeakPolarHBondContact O-CA 3.39Å; P458-Q460 VanDerWaalsContact C-N 3.26Å
459	I	87.1	Confident	81.8	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.041	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.6	172.8	56.1	164.7	0	0	0	113.6	V175 E176 C179 A240 D457 R461 V471	V175-I459 HydrophobicContact CG1-CD1 4.03Å; V175-I459 HydrophobicContact CG1-CG2 4.33Å; E176-I459 VanDerWaalsContact CD-CG1 3.46Å; E176-I459 VanDerWaalsContact OE1-CD1 3.3Å; E176-I459 WeakPolarHBondContact OE1-CD1 3.37Å; E176-I459 WeakPolarHBondContact OE1-CG1 3.3Å; E176-I459 WeakPolarHBondContact OE2-CG1 3.32Å; C179-I459 HydrophobicContact CB-CG2 4.12Å; A240-I459 HydrophobicContact CB-CD1 3.56Å; D457-I459 PolarHBondContact O-N 3.01Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 HydrophobicContact CD1-CG 3.78Å; I459-R461 HydrophobicContact CG1-CG 3.84Å; I459-R461 PolarHBondContact O-N 3.17Å; I459-V471 HydrophobicContact CB-CG2 4.18Å; I459-V471 HydrophobicContact CG2-CG1 3.96Å; I459-V471 HydrophobicContact CG2-CG2 4.02Å
460	Q	87	Confident	80	Confident	41 Å²	41	54.4 Å²	54.4	19%	0.192	26%	0.263	C	S	.	.			trans	56.2	40.3	168.2	-62	177	28.8	0	0	114.1	D457 P458 Y462 V463 Q468	D457-Q460 WeakPolarHBondContact O-CA 3.34Å; D457-Q460 PolarHBondContact O-N 2.98Å; D457-Q460 PolarHBondContact OD1-N 3.5Å; P458-Q460 VanDerWaalsContact C-N 3.26Å; Q460-Y462 VanDerWaalsContact C-N 3.25Å; Q460-Y462 PolarHBondContact O-N 2.87Å; Q460-V463 HydrophobicContact CB-CB 4.32Å; Q460-V463 HydrophobicContact CB-CG2 3.99Å; Q460-V463 WeakPolarHBondContact O-CB 3.37Å; Q460-V463 PolarHBondContact O-N 3.2Å; Q460-V463 VanDerWaalsContact O-N 3.08Å; Q460-Q468 PolarHBondContact O-NE2 3.42Å; Q460-Q468 VanDerWaalsContact O-NE2 3.07Å
461	R	87.2	Confident	78.3	Confident	21 Å²	21	55 Å²	55	8%	0.079	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29	-179	-65.7	179.9	64.8	-94.9	-21.3	113	A236 P295 A296 F297 D457 I459 V463	A236-R461 VanDerWaalsContact CB-NH2 3.29Å; P295-R461 PolarHBondContact O-NH1 3.11Å; P295-R461 VanDerWaalsContact O-NH1 3.08Å; A296-R461 PolarHBondContact O-NH1 3.38Å; A296-R461 PolarHBondContact O-NH2 3.09Å; F297-R461 HydrophobicContact CB-CB 4.34Å; F297-R461 HydrophobicContact CD2-CB 4.23Å; F297-R461 PolarHBondContact O-NH2 2.94Å; D457-R461 VanDerWaalsContact CG-N 3.3Å; D457-R461 PolarHBondContact OD1-N 3.18Å; D457-R461 WeakPolarHBondContact OD2-CA 3.49Å; D457-R461 PolarHBondContact OD2-N 3.05Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 HydrophobicContact CD1-CG 3.78Å; I459-R461 HydrophobicContact CG1-CG 3.84Å; I459-R461 PolarHBondContact O-N 3.17Å; R461-V463 PolarHBondContact O-N 3.35Å
462	Y	85.4	Confident	76	Confident	59 Å²	59	60.1 Å²	60.1	23%	0.231	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.1	173.1	79.3	-89.8	0	0	0	113.9	F370 P453 K454 D457 Q460	F370-Y462 VanDerWaalsContact CD1-CB 3.47Å; F370-Y462 AromaticContact CD1-CD1 3.8Å; F370-Y462 HydrophobicContact CD1-CD1 3.8Å; F370-Y462 AromaticContact CD1-CD2 3.76Å; F370-Y462 HydrophobicContact CD1-CD2 3.76Å; F370-Y462 HydrophobicContact CD1-CE1 4.46Å; F370-Y462 HydrophobicContact CD1-CE2 4.41Å; F370-Y462 AromaticContact CD1-CG 3.41Å; F370-Y462 HydrophobicContact CD1-CG 3.41Å; F370-Y462 VanDerWaalsContact CD1-CG 3.41Å; F370-Y462 AromaticContact CE1-CD1 3.63Å; F370-Y462 HydrophobicContact CE1-CD1 3.63Å; F370-Y462 HydrophobicContact CE1-CD2 4.43Å; F370-Y462 HydrophobicContact CE1-CE1 4.25Å; F370-Y462 AromaticContact CE1-CG 3.74Å; F370-Y462 HydrophobicContact CE1-CG 3.74Å; P453-Y462 HydrophobicContact CB-CD1 4.4Å; P453-Y462 HydrophobicContact CB-CE1 3.81Å; P453-Y462 HydrophobicContact CB-CE2 4.16Å; K454-Y462 HydrophobicContact CG-CE1 4.34Å; K454-Y462 WeakPolarHBondContact CG-OH 3.42Å; D457-Y462 HydrophobicContact CB-CD1 4.22Å; D457-Y462 VanDerWaalsContact OD2-CD1 3.31Å; D457-Y462 WeakPolarHBondContact OD2-CD1 3.28Å; D457-Y462 PolarHBondContact OD2-N 3.19Å; Q460-Y462 VanDerWaalsContact C-N 3.25Å; Q460-Y462 PolarHBondContact O-N 2.87Å
463	V	80.9	Confident	74.2	Confident	22 Å²	22	59.3 Å²	59.3	13%	0.133	30%	0.295	C	S	.	.	S	Bend	trans	-82.1	135.4	-179.8	-178.1	0	0	0	0	108.6	Q460 R461 R465 D467 Q468	Q460-V463 HydrophobicContact CB-CB 4.32Å; Q460-V463 HydrophobicContact CB-CG2 3.99Å; Q460-V463 WeakPolarHBondContact O-CB 3.37Å; Q460-V463 PolarHBondContact O-N 3.2Å; Q460-V463 VanDerWaalsContact O-N 3.08Å; R461-V463 PolarHBondContact O-N 3.35Å; V463-R465 PolarHBondContact O-N 3.15Å; V463-D467 HydrophobicContact CG1-CB 3.72Å; V463-Q468 HydrophobicContact CB-CG 4.14Å; V463-Q468 HydrophobicContact CG1-CG 4.37Å; V463-Q468 PolarHBondContact O-NE2 3.35Å
464	P	68.9	Low	72.7	Confident	74 Å²	74	59.3 Å²	59.3	48%	0.481	29%	0.292	S	S	.	.			trans	-51.2	135	171.5	-26.4	34.8	0	0	0	110.8	Q466 D467 Q468	P464-Q466 PolarHBondContact O-N 2.94Å; P464-D467 PolarHBondContact O-N 2.69Å; P464-Q468 PolarHBondContact O-N 3.11Å
465	R	61.7	Low	70.5	Confident	63 Å²	63	60.3 Å²	60.3	24%	0.238	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-22.8	-174.9	-73.4	-162.3	-171.9	111.2	22	115.2	E239 D300 V463 D467	E239-R465 IonicContact OE1-CZ 2.8Å; E239-R465 IonicContact OE1-NE 3.9Å; E239-R465 PolarHBondContact OE1-NE 3.46Å; E239-R465 IonicContact OE1-NH2 3.21Å; E239-R465 PolarHBondContact OE1-NH2 2.98Å; E239-R465 IonicContact OE2-NH2 2.71Å; E239-R465 PolarHBondContact OE2-NH2 3.08Å; D300-R465 IonicContact OD1-CZ 2.72Å; D300-R465 IonicContact OD1-NH2 2.99Å; D300-R465 PolarHBondContact OD1-NH2 2.8Å; D300-R465 IonicContact OD2-CZ 3.73Å; D300-R465 IonicContact OD2-NH1 3.2Å; D300-R465 PolarHBondContact OD2-NH1 2.9Å; D300-R465 IonicContact OD2-NH2 3.43Å; D300-R465 PolarHBondContact OD2-NH2 3.35Å; V463-R465 PolarHBondContact O-N 3.15Å; R465-D467 PolarHBondContact O-N 3.29Å
466	Q	56.9	Low	68.4	Low	157 Å²	157	60 Å²	60	73%	0.734	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.2	177.6	-46.4	-176	55.5	0	0	111.6	P464	P464-Q466 PolarHBondContact O-N 2.94Å
467	D	56.2	Low	66	Low	113 Å²	113	64 Å²	64	60%	0.604	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-1.6	-173.9	-56.2	-43.8	0	0	0	112.6	V463 P464 R465	V463-D467 HydrophobicContact CG1-CB 3.72Å; P464-D467 PolarHBondContact O-N 2.69Å; R465-D467 PolarHBondContact O-N 3.29Å
468	Q	61.3	Low	64	Low	34 Å²	34	66.5 Å²	66.5	16%	0.159	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-67.6	132.9	175.6	-75.3	179.1	2.4	0	0	110.4	Q460 V463 P464	Q460-Q468 PolarHBondContact O-NE2 3.42Å; Q460-Q468 VanDerWaalsContact O-NE2 3.07Å; V463-Q468 HydrophobicContact CB-CG 4.14Å; V463-Q468 HydrophobicContact CG1-CG 4.37Å; V463-Q468 PolarHBondContact O-NE2 3.35Å; P464-Q468 PolarHBondContact O-N 3.11Å
469	R	56.5	Low	61.7	Low	204 Å²	204	66 Å²	66	77%	0.77	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-91	158.3	174.3	-65.5	-174.4	-179.1	-173.1	-0.4	110.9	V471	R469-V471 PolarHBondContact O-N 3.25Å
470	N	55.1	Low	59.5	Low	94 Å²	94	70.9 Å²	70.9	50%	0.503	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-53.7	128.8	175.8	-72	-30.8	0	0	0	111.8	Q478 G479	N470-Q478 PolarHBondContact OD1-O 2.68Å; N470-G479 PolarHBondContact OD1-N 2.97Å
471	V	57.4	Low	57.8	Low	23 Å²	23	71.8 Å²	71.8	14%	0.139	37%	0.365	C	S	.	.			trans	-85.1	115.6	169.2	179.5	0	0	0	0	108.6	I459 R469 M473 R474	I459-V471 HydrophobicContact CB-CG2 4.18Å; I459-V471 HydrophobicContact CG2-CG1 3.96Å; I459-V471 HydrophobicContact CG2-CG2 4.02Å; R469-V471 PolarHBondContact O-N 3.25Å; V471-M473 PolarHBondContact O-N 3.49Å; V471-R474 HydrophobicContact CB-CG 4.22Å; V471-R474 HydrophobicContact CG1-CG 4.37Å; V471-R474 PolarHBondContact O-N 3.32Å; V471-R474 VanDerWaalsContact O-N 3.16Å
472	S	46.9	Very low	56	Low	111 Å²	111	78.7 Å²	78.7	78%	0.776	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.6	-173.3	-172	0	0	0	0	115.2
473	M	55.5	Low	54.3	Low	22 Å²	22	81.1 Å²	81.1	11%	0.108	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	6.4	-176	-59.7	-174.9	-166.5	0	0	113.7	I178 F244 N245 N249 V471	I178-M473 HydrophobicContact CG2-SD 4.5Å; F244-M473 HydrophobicContact CD2-CB 4.31Å; F244-M473 HydrophobicContact CE2-CB 3.88Å; F244-M473 HydrophobicContact CE2-SD 4.24Å; F244-M473 HydrophobicContact CZ-SD 4.22Å; N245-M473 PolarHBondContact N-O 2.97Å; N249-M473 WeakPolarHBondContact OD1-CE 3.22Å; N249-M473 VanDerWaalsContact OD1-CG 3.3Å; N249-M473 WeakPolarHBondContact OD1-CG 3.49Å; V471-M473 PolarHBondContact O-N 3.49Å
474	R	61.2	Low	53.3	Low	25 Å²	25	83.7 Å²	83.7	9%	0.094	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-92.8	126.9	175.2	-72.7	-175	172.3	-176.5	-7.9	110.6	E239 A240 G243 V471 S476 Q478	E239-R474 PolarHBondContact O-NH2 3.33Å; A240-R474 PolarHBondContact O-NH2 3.46Å; G243-R474 WeakPolarHBondContact O-CA 3.31Å; V471-R474 HydrophobicContact CB-CG 4.22Å; V471-R474 HydrophobicContact CG1-CG 4.37Å; V471-R474 PolarHBondContact O-N 3.32Å; V471-R474 VanDerWaalsContact O-N 3.16Å; R474-S476 PolarHBondContact O-N 2.84Å; R474-Q478 VanDerWaalsContact NH1-CD 3.32Å
475	Y	46.2	Very low	53.3	Low	133 Å²	133	80.9 Å²	80.9	52%	0.522	41%	0.412	S	S	.	.	S	Bend	trans	-68.2	-25.1	175.3	-140.4	-92.7	0	0	0	111.7	G243 V256	G243-Y475 PolarHBondContact O-N 3.38Å; V256-Y475 HydrophobicContact CG2-CD2 3.62Å; V256-Y475 HydrophobicContact CG2-CE2 4.34Å; V256-Y475 HydrophobicContact CG2-CG 3.95Å
476	S	48.7	Very low	54.5	Low	25 Å²	25	79.5 Å²	79.5	18%	0.175	41%	0.41	C	S	.	.	S	Bend	trans	-105.1	101	172.3	40.4	0	0	0	0	110	R474 Q478	R474-S476 PolarHBondContact O-N 2.84Å; S476-Q478 PolarHBondContact O-N 3.4Å
477	N	43.5	Very low	56.3	Low	83 Å²	83	72 Å²	72	44%	0.444	38%	0.375	S	S	.	.			trans	-54.2	123.5	172	-77.2	-23.8	0	0	0	110.3	Q604	N477-Q604 WeakPolarHBondContact O-CB 3.43Å
478	Q	49.6	Very low	58.1	Low	55 Å²	55	67.7 Å²	67.7	26%	0.257	35%	0.351	S	S	.	.			trans	-102.7	78.2	169.5	-70.8	179.8	-6.7	0	0	107.8	N470 R474 S476	N470-Q478 PolarHBondContact OD1-O 2.68Å; R474-Q478 VanDerWaalsContact NH1-CD 3.32Å; S476-Q478 PolarHBondContact O-N 3.4Å
479	G	42.4	Very low	59.8	Low	19 Å²	19	66.1 Å²	66.1	20%	0.196	34%	0.344	C	S	.	.			trans	-66	166.3	173.3	0	0	0	0	0	112.1	N470 I481	N470-G479 PolarHBondContact OD1-N 2.97Å; G479-I481 WeakPolarHBondContact O-CG1 3.42Å; G479-I481 PolarHBondContact O-N 3.42Å
480	P	41.2	Very low	61.6	Low	111 Å²	111	56.4 Å²	56.4	72%	0.721	31%	0.307	S	S	*	.			trans	-53.6	126	178.2	18.6	-28.7	0	0	0	110.6	E482	P480-E482 PolarHBondContact O-N 3.03Å
481	I	50.4	Low	63.5	Low	59 Å²	59	52.4 Å²	52.4	30%	0.303	29%	0.286	S	S	.	.			trans	-87.4	102.4	-169.6	-56.6	178	0	0	0	108.5	G479 N483 K602	G479-I481 WeakPolarHBondContact O-CG1 3.42Å; G479-I481 PolarHBondContact O-N 3.42Å; I481-N483 PolarHBondContact O-N 3.21Å; I481-K602 HydrophobicContact CD1-CB 3.7Å; I481-K602 HydrophobicContact CD1-CD 3.55Å; I481-K602 HydrophobicContact CD1-CG 4.11Å; I481-K602 HydrophobicContact CG2-CD 4.13Å
482	E	49.4	Very low	65.3	Low	166 Å²	166	51.3 Å²	51.3	78%	0.776	28%	0.279	S	S	*	.			trans	-68.8	113.1	160.5	-73	-175.1	169.4	0	0	108.3	P480 D484	P480-E482 PolarHBondContact O-N 3.03Å; E482-D484 PolarHBondContact O-N 2.93Å
483	N	49.7	Very low	67.6	Low	110 Å²	110	46 Å²	46	59%	0.588	24%	0.242	S	C	*	.	S	Bend	trans	-65.6	8.9	-176.5	-87.2	-36.5	0	0	0	114.9	I481 A485 K602	I481-N483 PolarHBondContact O-N 3.21Å; N483-A485 PolarHBondContact O-N 3.4Å; N483-K602 PolarHBondContact OD1-NZ 3.28Å
484	D	61.2	Low	69.3	Low	76 Å²	76	45.7 Å²	45.7	41%	0.406	24%	0.24	S	C	.	.			trans	-98.6	59.9	174.5	-151.7	22.7	0	0	0	110.3	E482 V486 R606 K642	E482-D484 PolarHBondContact O-N 2.93Å; D484-V486 PolarHBondContact O-N 2.99Å; D484-R606 PolarHBondContact O-NH1 2.83Å; D484-K642 WeakPolarHBondContact OD1-CD 3.48Å; D484-K642 WeakPolarHBondContact OD1-CE 3.39Å; D484-K642 IonicContact OD1-NZ 3.12Å; D484-K642 PolarHBondContact OD1-NZ 3.45Å; D484-K642 IonicContact OD2-NZ 3.39Å; D484-K642 PolarHBondContact OD2-NZ 3.27Å
485	A	68.3	Low	70.7	Confident	16 Å²	16	44.7 Å²	44.7	13%	0.132	24%	0.237	C	C	.	.			trans	-67.3	97.1	178.3	0	0	0	0	0	110.5	N483	N483-A485 PolarHBondContact O-N 3.4Å
486	V	87.9	Confident	72.7	Confident	34 Å²	34	44.1 Å²	44.1	21%	0.206	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-72.5	123.9	168.5	-179	0	0	0	0	108.5	D484 R606 K642 H644	D484-V486 PolarHBondContact O-N 2.99Å; V486-R606 VanDerWaalsContact N-NH1 3.12Å; V486-R606 WeakPolarHBondContact O-CD 3.3Å; V486-K642 HydrophobicContact CG2-CB 4.27Å; V486-H644 HydrophobicContact CG1-CB 3.7Å
487	I	93.3	Very high	74.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.5	178.4	-55.3	-176.5	0	0	0	109.1	V489 L594 I597 P607 F609 V641 K642 V643 H644	I487-V489 HydrophobicContact CG2-CG2 4.24Å; I487-L594 HydrophobicContact CB-CD2 4.47Å; I487-L594 HydrophobicContact CD1-CB 4.16Å; I487-L594 HydrophobicContact CD1-CD2 3.8Å; I487-L594 VanDerWaalsContact CD1-O 3.31Å; I487-L594 WeakPolarHBondContact CD1-O 3.29Å; I487-L594 HydrophobicContact CG2-CD2 3.88Å; I487-I597 HydrophobicContact CD1-CB 3.92Å; I487-I597 HydrophobicContact CD1-CG2 3.72Å; I487-I597 HydrophobicContact CG1-CG2 4.24Å; I487-P607 HydrophobicContact CB-CG 4.21Å; I487-P607 HydrophobicContact CG1-CG 3.89Å; I487-P607 HydrophobicContact CG2-CB 4.48Å; I487-P607 HydrophobicContact CG2-CG 4.09Å; I487-F609 HydrophobicContact CG2-CB 3.88Å; I487-V641 HydrophobicContact CD1-CG1 3.61Å; I487-V641 HydrophobicContact CG1-CG1 4.09Å; I487-K642 PolarHBondContact N-O 3.5Å; I487-V643 HydrophobicContact CB-CG1 4.32Å; I487-V643 CarbonylContact O-C 3.56Å; I487-V643 VanDerWaalsContact O-CA 3.28Å; I487-V643 WeakPolarHBondContact O-CA 3.42Å; I487-H644 PolarHBondContact O-N 2.9Å
488	H	94.9	Very high	76.9	Confident	22 Å²	22	45.8 Å²	45.8	10%	0.102	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.7	171.8	-71.9	-173.8	0	0	0	109.1	P607 L608 F609 H644 L651	H488-P607 WeakPolarHBondContact CB-O 3.33Å; H488-P607 PolarHBondContact N-O 2.88Å; H488-L608 HydrophobicContact CB-CD1 4.09Å; H488-L608 CarbonylContact O-C 3.59Å; H488-L608 WeakPolarHBondContact O-CA 3.28Å; H488-F609 PolarHBondContact O-N 3.3Å; H488-H644 CarbonylContact C-O 3.55Å; H488-H644 WeakPolarHBondContact CA-O 3.29Å; H488-L651 HydrophobicContact CB-CB 4.41Å; H488-L651 HydrophobicContact CB-CD1 4.21Å; H488-L651 HydrophobicContact CB-CD2 3.97Å; H488-L651 HydrophobicContact CB-CG 4.42Å; H488-L651 PolarHBondContact ND1-O 2.63Å
489	V	95.8	Very high	78.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.9	-176.7	178.1	0	0	0	0	109.7	I487 L491 F609 V611 F633 V643 H644 V645 D646 L651	I487-V489 HydrophobicContact CG2-CG2 4.24Å; V489-L491 HydrophobicContact CG1-CD2 3.96Å; V489-F609 WeakPolarHBondContact CA-O 3.22Å; V489-F609 HydrophobicContact CG2-CB 4.37Å; V489-V611 HydrophobicContact CG1-CG2 3.81Å; V489-F633 HydrophobicContact CB-CD1 4.32Å; V489-F633 HydrophobicContact CB-CE1 4.35Å; V489-F633 HydrophobicContact CG1-CD1 3.82Å; V489-F633 HydrophobicContact CG1-CE1 3.75Å; V489-F633 HydrophobicContact CG1-CZ 4.46Å; V489-F633 HydrophobicContact CG2-CD1 4.13Å; V489-F633 HydrophobicContact CG2-CE1 3.86Å; V489-V643 HydrophobicContact CG2-CB 3.95Å; V489-V643 HydrophobicContact CG2-CG1 4.05Å; V489-H644 PolarHBondContact N-O 3.06Å; V489-V645 HydrophobicContact CB-CG2 4.06Å; V489-V645 HydrophobicContact CG1-CG2 4.36Å; V489-V645 WeakPolarHBondContact O-CA 3.27Å; V489-D646 PolarHBondContact O-N 3.5Å; V489-L651 WeakPolarHBondContact O-CD1 3.32Å
490	S	95.4	Very high	81.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.2	172.2	-178.7	0	0	0	0	109.9	F609 V611	S490-F609 PolarHBondContact N-O 3.29Å; S490-F609 VanDerWaalsContact N-O 3.11Å; S490-V611 PolarHBondContact O-N 3.01Å
491	L	95.7	Very high	83.4	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.2	178.9	-53.9	-178.6	0	0	0	110.2	V489 I507 T509 Q510 V611 L630 V645	V489-L491 HydrophobicContact CG1-CD2 3.96Å; L491-I507 HydrophobicContact CD1-CG2 3.98Å; L491-T509 HydrophobicContact CB-CG2 3.83Å; L491-T509 WeakPolarHBondContact O-CA 3.28Å; L491-Q510 PolarHBondContact O-N 3.21Å; L491-V611 HydrophobicContact CD2-CB 3.71Å; L491-V611 HydrophobicContact CD2-CG1 4.13Å; L491-V611 HydrophobicContact CD2-CG2 3.92Å; L491-L630 HydrophobicContact CD1-CD2 4.28Å; L491-L630 HydrophobicContact CD2-CD2 4.31Å; L491-V645 HydrophobicContact CD1-CG1 4.09Å; L491-V645 HydrophobicContact CG-CG1 4.01Å
492	V	95.1	Very high	85.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.9	-179.2	-179	0	0	0	0	109.8	Q510 P512 I520 L610 V611 L612 I613	V492-Q510 CarbonylContact C-O 3.54Å; V492-Q510 VanDerWaalsContact CA-O 3.27Å; V492-Q510 WeakPolarHBondContact CA-O 3.48Å; V492-P512 HydrophobicContact CG1-CG 4.3Å; V492-I520 HydrophobicContact CB-CD1 4.48Å; V492-I520 HydrophobicContact CG1-CD1 3.89Å; V492-I520 HydrophobicContact CG2-CD1 3.91Å; V492-L610 HydrophobicContact CB-CD2 4.07Å; V492-L610 HydrophobicContact CG2-CD1 4.16Å; V492-L610 HydrophobicContact CG2-CD2 3.78Å; V492-L610 HydrophobicContact CG2-CG 3.98Å; V492-V611 PolarHBondContact N-O 3.23Å; V492-L612 HydrophobicContact CB-CD1 4.47Å; V492-L612 HydrophobicContact CG1-CD1 4.24Å; V492-I613 PolarHBondContact O-N 2.95Å
493	A	93.9	Very high	87.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.3	173.4	0	0	0	0	0	109.7	S495 L498 Q499 Q510 P512	A493-S495 PolarHBondContact O-N 2.87Å; A493-L498 HydrophobicContact CB-CB 4.35Å; A493-L498 HydrophobicContact CB-CD2 4.14Å; A493-L498 HydrophobicContact CB-CG 4.08Å; A493-Q499 HydrophobicContact CB-CB 4.09Å; A493-Q510 PolarHBondContact N-O 3.1Å; A493-P512 WeakPolarHBondContact O-CD 3.44Å
494	E	90.7	Very high	89.2	Confident	16 Å²	16	39.9 Å²	39.9	8%	0.075	20%	0.204	C	C	.	.	S	Bend	trans	-68.3	-17.1	-178.7	75.3	-177.6	167	0	0	114.3	L498 I613 R614 E615 F676 L679	E494-L498 HydrophobicContact CG-CD2 4.39Å; E494-I613 PolarHBondContact N-O 3Å; E494-R614 VanDerWaalsContact CD-CA 3.46Å; E494-R614 VanDerWaalsContact OE1-CA 3.26Å; E494-R614 WeakPolarHBondContact OE1-CA 3.42Å; E494-R614 WeakPolarHBondContact OE1-CB 3.36Å; E494-R614 WeakPolarHBondContact OE2-CB 3.28Å; E494-R614 VanDerWaalsContact OE2-CG 3.24Å; E494-R614 WeakPolarHBondContact OE2-CG 3.11Å; E494-R614 IonicContact OE2-CZ 3.53Å; E494-R614 IonicContact OE2-NH1 3.58Å; E494-R614 PolarHBondContact OE2-NH1 3.15Å; E494-E615 PolarHBondContact OE1-N 3.35Å; E494-F676 HydrophobicContact CB-CE1 4.33Å; E494-F676 HydrophobicContact CB-CZ 4.04Å; E494-L679 HydrophobicContact CG-CD2 4.45Å; E494-L679 WeakPolarHBondContact O-CB 3.49Å; E494-L679 PolarHBondContact O-N 3.25Å
495	S	90.6	Very high	90.5	Very high	3 Å²	3	42 Å²	42	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	-143.6	151.4	179.3	78.4	0	0	0	0	112.5	A493 R497 L498 Q499 E615	A493-S495 PolarHBondContact O-N 2.87Å; S495-R497 PolarHBondContact O-N 3.11Å; S495-L498 PolarHBondContact O-N 3.01Å; S495-L498 WeakPolarHBondContact OG-CB 3.35Å; S495-L498 PolarHBondContact OG-N 3.43Å; S495-L498 VanDerWaalsContact OG-N 3.11Å; S495-Q499 PolarHBondContact O-N 3.38Å; S495-E615 PolarHBondContact OG-OE1 3.23Å
496	Q	89.8	Confident	91.4	Very high	122 Å²	122	42.6 Å²	42.6	57%	0.57	22%	0.215	S	C	*	.	H	α-helix	trans	-57.2	-35.9	170.9	-168.2	177.1	32.1	0	0	112.8	L498 Q499 V500 T511 E678	Q496-L498 VanDerWaalsContact C-N 3.32Å; Q496-L498 PolarHBondContact O-N 2.92Å; Q496-Q499 WeakPolarHBondContact O-CB 3.24Å; Q496-Q499 PolarHBondContact O-N 3.34Å; Q496-V500 WeakPolarHBondContact O-CG2 3.27Å; Q496-V500 PolarHBondContact O-N 3.26Å; Q496-T511 HydrophobicContact CB-CG2 4.45Å; Q496-E678 WeakPolarHBondContact CB-OE1 3.46Å; Q496-E678 PolarHBondContact N-OE1 3.13Å
497	R	89.5	Confident	91.5	Very high	137 Å²	137	41.6 Å²	41.6	52%	0.517	21%	0.208	S	C	.	.	H	α-helix	trans	-59.2	-45.8	177	-173.9	-178.2	81.1	104.6	-9.9	111.1	S495 F501 E615	S495-R497 PolarHBondContact O-N 3.11Å; R497-F501 PolarHBondContact O-N 3.48Å; R497-F501 VanDerWaalsContact O-N 3.13Å; R497-E615 IonicContact CZ-OE1 2.63Å; R497-E615 IonicContact CZ-OE2 3.09Å; R497-E615 IonicContact NE-OE1 2.81Å; R497-E615 PolarHBondContact NE-OE1 2.86Å; R497-E615 IonicContact NE-OE2 3.68Å; R497-E615 IonicContact NH2-OE1 3.73Å; R497-E615 PolarHBondContact NH2-OE1 2.83Å; R497-E615 VanDerWaalsContact NH2-OE1 3.13Å; R497-E615 IonicContact NH2-OE2 2.74Å; R497-E615 PolarHBondContact NH2-OE2 2.72Å
498	L	89.3	Confident	91.5	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-41.6	178.3	176	57.9	0	0	0	111.9	A493 E494 S495 Q496 V500 F501 L502 I613 E615 I618	A493-L498 HydrophobicContact CB-CB 4.35Å; A493-L498 HydrophobicContact CB-CD2 4.14Å; A493-L498 HydrophobicContact CB-CG 4.08Å; E494-L498 HydrophobicContact CG-CD2 4.39Å; S495-L498 PolarHBondContact O-N 3.01Å; S495-L498 WeakPolarHBondContact OG-CB 3.35Å; S495-L498 PolarHBondContact OG-N 3.43Å; S495-L498 VanDerWaalsContact OG-N 3.11Å; Q496-L498 VanDerWaalsContact C-N 3.32Å; Q496-L498 PolarHBondContact O-N 2.92Å; L498-V500 PolarHBondContact O-N 2.88Å; L498-F501 HydrophobicContact CD1-CD1 4.44Å; L498-F501 WeakPolarHBondContact O-CB 3.38Å; L498-F501 PolarHBondContact O-N 3.33Å; L498-L502 HydrophobicContact CD1-CD1 4.03Å; L498-L502 HydrophobicContact CD1-CG 4.01Å; L498-L502 HydrophobicContact CG-CD1 4.06Å; L498-L502 HydrophobicContact CG-CG 4.47Å; L498-L502 WeakPolarHBondContact O-CG 3.15Å; L498-L502 PolarHBondContact O-N 3.22Å; L498-I613 HydrophobicContact CD2-CB 4.36Å; L498-I613 HydrophobicContact CD2-CG2 4.1Å; L498-I613 WeakPolarHBondContact CD2-O 3.44Å; L498-E615 HydrophobicContact CB-CG 4.09Å; L498-E615 HydrophobicContact CD2-CG 4.24Å; L498-I618 HydrophobicContact CD1-CD1 3.34Å; L498-I618 HydrophobicContact CG-CD1 4.47Å
499	Q	91.6	Very high	91.4	Very high	28 Å²	28	48.2 Å²	48.2	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-55.4	-49.8	174.5	174.2	-178.4	61.9	0	0	111.5	A493 S495 Q496 F501 L502 N503 T509 T511	A493-Q499 HydrophobicContact CB-CB 4.09Å; S495-Q499 PolarHBondContact O-N 3.38Å; Q496-Q499 WeakPolarHBondContact O-CB 3.24Å; Q496-Q499 PolarHBondContact O-N 3.34Å; Q499-F501 VanDerWaalsContact C-N 3.3Å; Q499-F501 PolarHBondContact O-N 3.29Å; Q499-L502 PolarHBondContact O-N 2.93Å; Q499-N503 WeakPolarHBondContact O-CB 3.27Å; Q499-N503 PolarHBondContact O-N 3.39Å; Q499-T509 PolarHBondContact NE2-O 2.6Å; Q499-T511 HydrophobicContact CB-CG2 4.22Å
500	V	90.9	Very high	91.4	Very high	89 Å²	89	48.9 Å²	48.9	54%	0.539	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-41.5	179.1	172.1	0	0	0	0	111	Q496 L498 N503 T504	Q496-V500 WeakPolarHBondContact O-CG2 3.27Å; Q496-V500 PolarHBondContact O-N 3.26Å; L498-V500 PolarHBondContact O-N 2.88Å; V500-N503 PolarHBondContact O-N 3.26Å; V500-T504 PolarHBondContact O-N 2.91Å
501	F	89.1	Confident	91.3	Very high	76 Å²	76	49 Å²	49	33%	0.333	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-47.9	176.7	177	-98.9	0	0	0	112.4	R497 L498 Q499 N503 T504 Y505 I618 F623	R497-F501 PolarHBondContact O-N 3.48Å; R497-F501 VanDerWaalsContact O-N 3.13Å; L498-F501 HydrophobicContact CD1-CD1 4.44Å; L498-F501 WeakPolarHBondContact O-CB 3.38Å; L498-F501 PolarHBondContact O-N 3.33Å; Q499-F501 VanDerWaalsContact C-N 3.3Å; Q499-F501 PolarHBondContact O-N 3.29Å; F501-N503 VanDerWaalsContact C-N 3.25Å; F501-N503 PolarHBondContact O-N 2.66Å; F501-T504 PolarHBondContact O-N 2.95Å; F501-T504 VanDerWaalsContact O-N 3.15Å; F501-T504 PolarHBondContact O-OG1 2.9Å; F501-Y505 HydrophobicContact CE1-CD2 4.5Å; F501-Y505 AromaticContact CE1-CE2 3.95Å; F501-Y505 HydrophobicContact CE1-CE2 3.95Å; F501-Y505 AromaticContact CE2-CE2 3.92Å; F501-Y505 HydrophobicContact CE2-CE2 3.92Å; F501-Y505 AromaticContact CZ-CE2 3.61Å; F501-Y505 HydrophobicContact CZ-CE2 3.61Å; F501-Y505 WeakPolarHBondContact O-CD2 3.46Å; F501-I618 HydrophobicContact CD1-CG2 4.08Å; F501-I618 HydrophobicContact CE1-CG2 3.47Å; F501-I618 VanDerWaalsContact CE1-CG2 3.47Å; F501-I618 HydrophobicContact CZ-CG2 4.25Å; F501-F623 HydrophobicContact CE1-CE1 4.31Å; F501-F623 AromaticContact CE1-CE2 3.8Å; F501-F623 HydrophobicContact CE1-CE2 3.8Å; F501-F623 AromaticContact CE1-CZ 3.46Å; F501-F623 HydrophobicContact CE1-CZ 3.46Å; F501-F623 VanDerWaalsContact CE1-CZ 3.46Å; F501-F623 HydrophobicContact CZ-CE1 4.07Å; F501-F623 HydrophobicContact CZ-CE2 4.33Å; F501-F623 AromaticContact CZ-CZ 3.66Å; F501-F623 HydrophobicContact CZ-CZ 3.66Å
502	L	89.8	Confident	91.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-32.6	177.7	-72.2	173	0	0	0	112.5	L498 Q499 T504 Y505 I507 T509 I613 I618 L630	L498-L502 HydrophobicContact CD1-CD1 4.03Å; L498-L502 HydrophobicContact CD1-CG 4.01Å; L498-L502 HydrophobicContact CG-CD1 4.06Å; L498-L502 HydrophobicContact CG-CG 4.47Å; L498-L502 WeakPolarHBondContact O-CG 3.15Å; L498-L502 PolarHBondContact O-N 3.22Å; Q499-L502 PolarHBondContact O-N 2.93Å; L502-T504 PolarHBondContact O-N 2.8Å; L502-Y505 PolarHBondContact O-N 2.83Å; L502-I507 CarbonylContact C-O 3.49Å; L502-I507 HydrophobicContact CB-CB 4.27Å; L502-I507 HydrophobicContact CB-CG2 4.5Å; L502-I507 HydrophobicContact CD2-CD1 4.21Å; L502-I507 PolarHBondContact O-N 3.04Å; L502-T509 HydrophobicContact CD1-CG2 3.81Å; L502-I613 HydrophobicContact CD1-CD1 3.83Å; L502-I613 HydrophobicContact CD1-CG2 4.14Å; L502-I618 HydrophobicContact CD1-CD1 4.39Å; L502-I618 HydrophobicContact CD2-CD1 3.83Å; L502-I618 HydrophobicContact CG-CD1 4.31Å; L502-L630 HydrophobicContact CD2-CD1 4.03Å
503	N	90.7	Very high	90.9	Very high	100 Å²	100	54.2 Å²	54.2	54%	0.535	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-27.8	176.5	-167.5	50.2	0	0	0	112.7	Q499 V500 F501 Y505 G506	Q499-N503 WeakPolarHBondContact O-CB 3.27Å; Q499-N503 PolarHBondContact O-N 3.39Å; V500-N503 PolarHBondContact O-N 3.26Å; F501-N503 VanDerWaalsContact C-N 3.25Å; F501-N503 PolarHBondContact O-N 2.66Å; N503-Y505 PolarHBondContact O-N 2.91Å; N503-G506 PolarHBondContact O-N 3.04Å
504	T	89.6	Confident	90.8	Very high	103 Å²	103	58.4 Å²	58.4	63%	0.632	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.1	174.7	69.8	0	0	0	0	113	V500 F501 L502	V500-T504 PolarHBondContact O-N 2.91Å; F501-T504 PolarHBondContact O-N 2.95Å; F501-T504 VanDerWaalsContact O-N 3.15Å; F501-T504 PolarHBondContact O-OG1 2.9Å; L502-T504 PolarHBondContact O-N 2.8Å
505	Y	88.1	Confident	90.9	Very high	119 Å²	119	57.6 Å²	57.6	47%	0.467	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	8.7	173.6	-63.5	-88	0	0	0	112.4	F501 L502 N503 I507 F623 L627	F501-Y505 HydrophobicContact CE1-CD2 4.5Å; F501-Y505 AromaticContact CE1-CE2 3.95Å; F501-Y505 HydrophobicContact CE1-CE2 3.95Å; F501-Y505 AromaticContact CE2-CE2 3.92Å; F501-Y505 HydrophobicContact CE2-CE2 3.92Å; F501-Y505 AromaticContact CZ-CE2 3.61Å; F501-Y505 HydrophobicContact CZ-CE2 3.61Å; F501-Y505 WeakPolarHBondContact O-CD2 3.46Å; L502-Y505 PolarHBondContact O-N 2.83Å; N503-Y505 PolarHBondContact O-N 2.91Å; Y505-I507 VanDerWaalsContact C-N 3.3Å; Y505-I507 PolarHBondContact O-N 2.91Å; Y505-F623 HydrophobicContact CD2-CZ 4.34Å; Y505-F623 HydrophobicContact CE1-CE1 4.21Å; Y505-F623 HydrophobicContact CE2-CE1 4.13Å; Y505-F623 AromaticContact CE2-CZ 3.9Å; Y505-F623 HydrophobicContact CE2-CZ 3.9Å; Y505-F623 AromaticContact CZ-CE1 3.75Å; Y505-F623 AromaticContact CZ-CZ 4Å; Y505-L627 HydrophobicContact CD1-CD1 3.81Å; Y505-L627 HydrophobicContact CD1-CD2 4.17Å; Y505-L627 HydrophobicContact CD2-CD2 4.39Å; Y505-L627 HydrophobicContact CE1-CD1 3.84Å; Y505-L627 HydrophobicContact CG-CD1 4.41Å; Y505-L627 HydrophobicContact CG-CD2 3.95Å
506	G	88.4	Confident	90.8	Very high	29 Å²	29	64.2 Å²	64.2	30%	0.299	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	22.7	-179.6	0	0	0	0	0	114.2	N503 K634	N503-G506 PolarHBondContact O-N 3.04Å; G506-K634 PolarHBondContact O-NZ 3.49Å
507	I	90.4	Very high	90.8	Very high	13 Å²	13	63.9 Å²	63.9	7%	0.067	32%	0.324	C	S	.	.			trans	-98.5	113	176.2	-59.3	162.7	0	0	0	108.1	L491 L502 Y505 T509 L627 L630	L491-I507 HydrophobicContact CD1-CG2 3.98Å; L502-I507 CarbonylContact C-O 3.49Å; L502-I507 HydrophobicContact CB-CB 4.27Å; L502-I507 HydrophobicContact CB-CG2 4.5Å; L502-I507 HydrophobicContact CD2-CD1 4.21Å; L502-I507 PolarHBondContact O-N 3.04Å; Y505-I507 VanDerWaalsContact C-N 3.3Å; Y505-I507 PolarHBondContact O-N 2.91Å; I507-T509 HydrophobicContact CG2-CG2 4.1Å; I507-L627 HydrophobicContact CD1-CD2 3.61Å; I507-L630 HydrophobicContact CD1-CB 3.64Å; I507-L630 HydrophobicContact CD1-CD1 3.78Å; I507-L630 HydrophobicContact CD1-CG 4.34Å; I507-L630 HydrophobicContact CG1-CB 4.23Å; I507-L630 HydrophobicContact CG2-CB 4.36Å; I507-L630 HydrophobicContact CG2-CD1 4.41Å
508	Q	91.7	Very high	91	Very high	147 Å²	147	57.9 Å²	57.9	69%	0.687	30%	0.302	S	S	*	.			trans	-84.9	129	177.9	-65.8	-177.1	-7.9	0	0	109.9
509	T	94.4	Very high	91.2	Very high	14 Å²	14	59.9 Å²	59.9	9%	0.086	31%	0.311	C	S	.	.			trans	-136.2	162.8	178.1	58.7	0	0	0	0	109.5	L491 Q499 L502 I507 I613	L491-T509 HydrophobicContact CB-CG2 3.83Å; L491-T509 WeakPolarHBondContact O-CA 3.28Å; Q499-T509 PolarHBondContact NE2-O 2.6Å; L502-T509 HydrophobicContact CD1-CG2 3.81Å; I507-T509 HydrophobicContact CG2-CG2 4.1Å; T509-I613 HydrophobicContact CG2-CD1 4.1Å
510	Q	95.1	Very high	91.3	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.07	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-113.7	151.8	171.3	-62.8	-179.9	-90.1	0	0	110.4	L491 V492 A493 V515 R647	L491-Q510 PolarHBondContact O-N 3.21Å; V492-Q510 CarbonylContact C-O 3.54Å; V492-Q510 VanDerWaalsContact CA-O 3.27Å; V492-Q510 WeakPolarHBondContact CA-O 3.48Å; A493-Q510 PolarHBondContact N-O 3.1Å; Q510-V515 HydrophobicContact CB-CG2 3.84Å; Q510-R647 VanDerWaalsContact OE1-CA 3.26Å
511	T	93.8	Very high	91.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	28%	0.281	C	S	.	.			trans	-89.9	159.9	167.6	74.6	0	0	0	0	110.5	Q496 Q499 Q513 Q514 V515 E678	Q496-T511 HydrophobicContact CB-CG2 4.45Å; Q499-T511 HydrophobicContact CB-CG2 4.22Å; T511-Q513 PolarHBondContact O-N 3.27Å; T511-Q514 VanDerWaalsContact N-OE1 3.15Å; T511-Q514 PolarHBondContact O-N 2.95Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.15Å; T511-Q514 PolarHBondContact OG1-N 3.34Å; T511-V515 WeakPolarHBondContact O-CG2 3.38Å; T511-V515 PolarHBondContact O-N 3.46Å; T511-E678 WeakPolarHBondContact CB-OE2 3.29Å; T511-E678 PolarHBondContact OG1-OE2 3.39Å
512	P	91.5	Very high	91.4	Very high	12 Å²	12	52.2 Å²	52.2	8%	0.078	27%	0.273	C	S	.	.	H	α-helix	trans	-53	-38.9	176.3	-28.3	36.3	0	0	0	113.5	V492 A493 Q514 V515 F676 E678	V492-P512 HydrophobicContact CG1-CG 4.3Å; A493-P512 WeakPolarHBondContact O-CD 3.44Å; P512-Q514 PolarHBondContact O-N 3.28Å; P512-V515 PolarHBondContact O-N 2.94Å; P512-F676 HydrophobicContact CB-CD1 4.35Å; P512-F676 WeakPolarHBondContact CB-O 3.39Å; P512-F676 HydrophobicContact CG-CD1 3.61Å; P512-F676 HydrophobicContact CG-CE1 3.71Å; P512-E678 HydrophobicContact CB-CB 4.39Å; P512-E678 HydrophobicContact CG-CB 4.29Å
513	Q	90.4	Very high	91.3	Very high	107 Å²	107	52.5 Å²	52.5	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-36.1	177.1	-67.3	-179	1.5	0	0	112.8	T511 V515 E516 E678	T511-Q513 PolarHBondContact O-N 3.27Å; Q513-V515 PolarHBondContact O-N 2.74Å; Q513-E516 PolarHBondContact O-N 3.13Å; Q513-E678 WeakPolarHBondContact CB-OE2 3.17Å; Q513-E678 HydrophobicContact CG-CB 4.02Å; Q513-E678 WeakPolarHBondContact CG-OE2 3.15Å
514	Q	92.2	Very high	91.2	Very high	87 Å²	87	52.3 Å²	52.3	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-74	-11.6	179.5	-68.9	171.7	-10.2	0	0	113.9	T511 P512 Q649	T511-Q514 VanDerWaalsContact N-OE1 3.15Å; T511-Q514 PolarHBondContact O-N 2.95Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.15Å; T511-Q514 PolarHBondContact OG1-N 3.34Å; P512-Q514 PolarHBondContact O-N 3.28Å; Q514-Q649 PolarHBondContact O-NE2 2.84Å
515	V	92.1	Very high	91.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-88.5	-16	-178.5	168.4	0	0	0	0	111.9	Q510 T511 P512 Q513 I518 I520 L648	Q510-V515 HydrophobicContact CB-CG2 3.84Å; T511-V515 WeakPolarHBondContact O-CG2 3.38Å; T511-V515 PolarHBondContact O-N 3.46Å; P512-V515 PolarHBondContact O-N 2.94Å; Q513-V515 PolarHBondContact O-N 2.74Å; V515-I518 HydrophobicContact CG1-CB 3.81Å; V515-I518 HydrophobicContact CG1-CD1 4.49Å; V515-I518 HydrophobicContact CG1-CG2 4.24Å; V515-I518 WeakPolarHBondContact O-CB 3.47Å; V515-I518 PolarHBondContact O-N 3.08Å; V515-I518 VanDerWaalsContact O-N 3.11Å; V515-I520 HydrophobicContact CB-CD1 4.38Å; V515-I520 HydrophobicContact CG1-CD1 4.15Å; V515-I520 HydrophobicContact CG1-CG1 4.12Å; V515-I520 HydrophobicContact CG2-CD1 4.29Å; V515-L648 HydrophobicContact CB-CD2 4.47Å; V515-L648 HydrophobicContact CG1-CD2 3.34Å; V515-L648 HydrophobicContact CG1-CG 4.32Å; V515-L648 HydrophobicContact CG2-CD2 4.28Å
516	E	87.9	Confident	91.4	Very high	141 Å²	141	42.5 Å²	42.5	66%	0.659	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	140.6	177.8	-67.8	-171.9	176.9	0	0	112.3	Q513	Q513-E516 PolarHBondContact O-N 3.13Å
517	P	90.5	Very high	91.5	Very high	116 Å²	116	41.5 Å²	41.5	75%	0.753	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.6	8	12.2	36	-37.9	0	0	0	115.1
518	I	93.1	Very high	91.5	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.051	22%	0.222	C	C	.	.	S	Bend	trans	-75.9	130.9	177.9	-53	155.9	0	0	0	108.2	V515 T564 V566 L648 Q649 I652	V515-I518 HydrophobicContact CG1-CB 3.81Å; V515-I518 HydrophobicContact CG1-CD1 4.49Å; V515-I518 HydrophobicContact CG1-CG2 4.24Å; V515-I518 WeakPolarHBondContact O-CB 3.47Å; V515-I518 PolarHBondContact O-N 3.08Å; V515-I518 VanDerWaalsContact O-N 3.11Å; I518-T564 HydrophobicContact CG1-CG2 4.42Å; I518-T564 HydrophobicContact CG2-CG2 4.18Å; I518-V566 HydrophobicContact CG2-CG1 4.15Å; I518-V566 HydrophobicContact CG2-CG2 4.01Å; I518-L648 HydrophobicContact CD1-CD2 4.45Å; I518-L648 HydrophobicContact CD1-CG 4Å; I518-L648 HydrophobicContact CG2-CD2 4.16Å; I518-Q649 HydrophobicContact CD1-CG 4.09Å; I518-I652 HydrophobicContact CD1-CD1 3.29Å; I518-I652 HydrophobicContact CD1-CG1 4.36Å; I518-I652 HydrophobicContact CG1-CD1 3.88Å
519	Q	93.4	Very high	91.4	Very high	48 Å²	48	37.9 Å²	37.9	22%	0.224	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.6	177.5	-61.7	-165.7	-25.8	0	0	110.6	T564 V565 V566	Q519-T564 PolarHBondContact N-O 3.32Å; Q519-V565 HydrophobicContact CB-CG2 4.41Å; Q519-V565 WeakPolarHBondContact O-CA 3.42Å; Q519-V566 PolarHBondContact O-N 2.76Å
520	I	93.7	Very high	91.3	Very high	5 Å²	5	38 Å²	38	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.1	170.2	-58.3	173.2	0	0	0	107.4	V492 V515 V566 Y568 L610 S675 F676	V492-I520 HydrophobicContact CB-CD1 4.48Å; V492-I520 HydrophobicContact CG1-CD1 3.89Å; V492-I520 HydrophobicContact CG2-CD1 3.91Å; V515-I520 HydrophobicContact CB-CD1 4.38Å; V515-I520 HydrophobicContact CG1-CD1 4.15Å; V515-I520 HydrophobicContact CG1-CG1 4.12Å; V515-I520 HydrophobicContact CG2-CD1 4.29Å; I520-V566 CarbonylContact C-O 3.57Å; I520-V566 WeakPolarHBondContact CA-O 3.19Å; I520-V566 HydrophobicContact CG1-CG2 3.98Å; I520-Y568 HydrophobicContact CG2-CD1 3.91Å; I520-Y568 HydrophobicContact CG2-CE1 4.42Å; I520-L610 HydrophobicContact CD1-CD1 4.11Å; I520-L610 HydrophobicContact CG1-CD1 4.07Å; I520-L610 HydrophobicContact CG2-CD1 4.14Å; I520-L610 HydrophobicContact CG2-CD2 4.43Å; I520-S675 WeakPolarHBondContact O-CA 3.13Å; I520-F676 HydrophobicContact CB-CB 4.37Å; I520-F676 HydrophobicContact CG2-CB 4.2Å; I520-F676 PolarHBondContact O-N 2.95Å
521	W	92.9	Very high	91.1	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142.9	178.5	-74.5	10.4	0	0	0	111.1	E525 I560 V565 V566 C567 F673	W521-E525 HydrophobicContact CB-CB 4.26Å; W521-E525 HydrophobicContact CD2-CB 4.13Å; W521-E525 HydrophobicContact CE3-CB 3.82Å; W521-E525 HydrophobicContact CG-CB 4.34Å; W521-I560 HydrophobicContact CE3-CD1 4.36Å; W521-I560 HydrophobicContact CH2-CB 4.43Å; W521-I560 HydrophobicContact CH2-CD1 3.83Å; W521-I560 HydrophobicContact CH2-CG2 4.05Å; W521-I560 HydrophobicContact CZ3-CD1 3.55Å; W521-V565 HydrophobicContact CB-CG1 3.92Å; W521-V565 HydrophobicContact CD2-CB 4.39Å; W521-V565 HydrophobicContact CD2-CG1 3.33Å; W521-V565 HydrophobicContact CD2-CG2 4.14Å; W521-V565 HydrophobicContact CE3-CG1 3.62Å; W521-V565 HydrophobicContact CG-CG1 3.49Å; W521-V565 VanDerWaalsContact CG-CG1 3.49Å; W521-V565 HydrophobicContact CH2-CG2 4.04Å; W521-V565 HydrophobicContact CZ2-CG1 4.36Å; W521-V565 HydrophobicContact CZ2-CG2 3.61Å; W521-V565 HydrophobicContact CZ3-CG1 4.24Å; W521-V565 HydrophobicContact CZ3-CG2 4.48Å; W521-V566 PolarHBondContact N-O 2.72Å; W521-C567 WeakPolarHBondContact O-CA 3.03Å; W521-F673 HydrophobicContact CD2-CB 4.42Å; W521-F673 HydrophobicContact CE3-CB 4.46Å; W521-F673 HydrophobicContact CH2-CB 3.48Å; W521-F673 VanDerWaalsContact CH2-CB 3.48Å; W521-F673 AromaticContact CH2-CD1 3.91Å; W521-F673 HydrophobicContact CH2-CD1 3.91Å; W521-F673 AromaticContact CH2-CD2 3.41Å; W521-F673 HydrophobicContact CH2-CD2 3.41Å; W521-F673 VanDerWaalsContact CH2-CD2 3.41Å; W521-F673 HydrophobicContact CH2-CE2 4.06Å; W521-F673 AromaticContact CH2-CG 3.31Å; W521-F673 HydrophobicContact CH2-CG 3.31Å; W521-F673 HydrophobicContact CZ2-CB 3.4Å; W521-F673 AromaticContact CZ2-CD2 3.99Å; W521-F673 HydrophobicContact CZ2-CD2 3.99Å; W521-F673 AromaticContact CZ2-CG 3.79Å; W521-F673 HydrophobicContact CZ2-CG 3.79Å; W521-F673 HydrophobicContact CZ3-CB 4.02Å; W521-F673 AromaticContact CZ3-CD1 3.85Å; W521-F673 HydrophobicContact CZ3-CD1 3.85Å; W521-F673 HydrophobicContact CZ3-CD2 4.16Å; W521-F673 HydrophobicContact CZ3-CE1 4.35Å; W521-F673 AromaticContact CZ3-CG 3.75Å; W521-F673 HydrophobicContact CZ3-CG 3.75Å
522	P	89.6	Confident	90.9	Very high	25 Å²	25	46.8 Å²	46.8	16%	0.162	22%	0.222	C	C	.	.			trans	-59	145.6	157.5	-18.9	31.5	0	0	0	110.4	K524 E525 Y568	P522-K524 PolarHBondContact O-N 3.45Å; P522-K524 VanDerWaalsContact O-N 3.1Å; P522-E525 HydrophobicContact CG-CG 4.39Å; P522-E525 PolarHBondContact O-N 3.27Å; P522-Y568 HydrophobicContact CB-CE1 4.4Å; P522-Y568 WeakPolarHBondContact CB-OH 2.87Å; P522-Y568 HydrophobicContact CG-CE1 4.39Å; P522-Y568 WeakPolarHBondContact CG-OH 3.33Å
523	Q	88.5	Confident	90.9	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-51.4	-36	176.4	178.6	-133.7	16	0	0	112.9	E525 L526 V527 P548 V549 T554	Q523-E525 VanDerWaalsContact C-N 3.27Å; Q523-E525 PolarHBondContact O-N 3.33Å; Q523-L526 WeakPolarHBondContact O-CB 3.43Å; Q523-L526 PolarHBondContact O-N 3.08Å; Q523-L526 VanDerWaalsContact O-N 3.1Å; Q523-V527 PolarHBondContact O-N 3.35Å; Q523-V527 VanDerWaalsContact O-N 3.09Å; Q523-P548 VanDerWaalsContact NE2-CB 3.26Å; Q523-V549 HydrophobicContact CG-CB 4.28Å; Q523-V549 PolarHBondContact NE2-O 2.86Å; Q523-T554 HydrophobicContact CB-CG2 4.21Å; Q523-T554 HydrophobicContact CG-CG2 3.85Å
524	K	87.7	Confident	91	Very high	96 Å²	96	42.1 Å²	42.1	42%	0.417	20%	0.201	S	C	.	.	H	α-helix	trans	-59.4	-32.3	177.8	-67.1	-176.7	176.5	-178.1	0	113.8	P522 V527 K528 S575	P522-K524 PolarHBondContact O-N 3.45Å; P522-K524 VanDerWaalsContact O-N 3.1Å; K524-V527 WeakPolarHBondContact O-CB 3.48Å; K524-V527 PolarHBondContact O-N 2.67Å; K524-K528 WeakPolarHBondContact O-CG 3.49Å; K524-K528 PolarHBondContact O-N 2.87Å; K524-K528 VanDerWaalsContact O-N 3.11Å; K524-S575 VanDerWaalsContact CE-OG 3.3Å; K524-S575 WeakPolarHBondContact CE-OG 3.27Å; K524-S575 PolarHBondContact NZ-OG 3.3Å
525	E	90.9	Very high	91	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-34.9	176.9	-60.3	-58.4	132.4	0	0	111.4	W521 P522 Q523 V527 K528 A529 F673 K674	W521-E525 HydrophobicContact CB-CB 4.26Å; W521-E525 HydrophobicContact CD2-CB 4.13Å; W521-E525 HydrophobicContact CE3-CB 3.82Å; W521-E525 HydrophobicContact CG-CB 4.34Å; P522-E525 HydrophobicContact CG-CG 4.39Å; P522-E525 PolarHBondContact O-N 3.27Å; Q523-E525 VanDerWaalsContact C-N 3.27Å; Q523-E525 PolarHBondContact O-N 3.33Å; E525-V527 VanDerWaalsContact C-N 3.33Å; E525-K528 VanDerWaalsContact CD-NZ 3.29Å; E525-K528 WeakPolarHBondContact O-CB 3.29Å; E525-K528 PolarHBondContact O-N 3.07Å; E525-K528 IonicContact OE1-NZ 3.13Å; E525-K528 PolarHBondContact OE1-NZ 2.87Å; E525-K528 WeakPolarHBondContact OE2-CD 3.3Å; E525-K528 IonicContact OE2-NZ 3.33Å; E525-K528 PolarHBondContact OE2-NZ 2.9Å; E525-K528 VanDerWaalsContact OE2-NZ 3.13Å; E525-A529 PolarHBondContact O-N 2.85Å; E525-F673 HydrophobicContact CB-CD1 4.49Å; E525-K674 PolarHBondContact OE2-N 3.4Å
526	L	90.9	Very high	91.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-37.3	171.9	-174.6	63	0	0	0	111.5	Q523 K528 A529 Y530 V549 Y558 I560 L660	Q523-L526 WeakPolarHBondContact O-CB 3.43Å; Q523-L526 PolarHBondContact O-N 3.08Å; Q523-L526 VanDerWaalsContact O-N 3.1Å; L526-K528 PolarHBondContact O-N 3.35Å; L526-A529 WeakPolarHBondContact O-CB 3.24Å; L526-A529 PolarHBondContact O-N 2.66Å; L526-Y530 HydrophobicContact CD1-CD2 3.95Å; L526-Y530 HydrophobicContact CD1-CE2 3.71Å; L526-Y530 HydrophobicContact CD2-CE2 4.23Å; L526-Y530 HydrophobicContact CG-CD2 3.86Å; L526-Y530 HydrophobicContact CG-CE2 3.81Å; L526-Y530 WeakPolarHBondContact O-CD2 3.46Å; L526-Y530 PolarHBondContact O-N 3.46Å; L526-V549 HydrophobicContact CD2-CB 4.26Å; L526-V549 HydrophobicContact CD2-CG1 3.91Å; L526-V549 HydrophobicContact CD2-CG2 4.19Å; L526-V549 HydrophobicContact CG-CG2 4.26Å; L526-Y558 HydrophobicContact CD1-CD1 4.16Å; L526-Y558 HydrophobicContact CD1-CD2 4.05Å; L526-Y558 HydrophobicContact CD1-CE1 4.08Å; L526-Y558 HydrophobicContact CD1-CE2 3.96Å; L526-Y558 HydrophobicContact CD1-CG 4.13Å; L526-Y558 HydrophobicContact CD2-CD2 4.24Å; L526-Y558 HydrophobicContact CD2-CE2 3.48Å; L526-Y558 VanDerWaalsContact CD2-CE2 3.48Å; L526-Y558 HydrophobicContact CG-CE2 4.38Å; L526-I560 HydrophobicContact CD1-CD1 4.44Å; L526-L660 HydrophobicContact CD1-CD1 4.21Å
527	V	90.9	Very high	91.2	Very high	7 Å²	7	40 Å²	40	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-44.1	173.4	-179.7	0	0	0	0	111.1	Q523 K524 E525 A529 Y530 R531 D546 R547 V549	Q523-V527 PolarHBondContact O-N 3.35Å; Q523-V527 VanDerWaalsContact O-N 3.09Å; K524-V527 WeakPolarHBondContact O-CB 3.48Å; K524-V527 PolarHBondContact O-N 2.67Å; E525-V527 VanDerWaalsContact C-N 3.33Å; V527-A529 VanDerWaalsContact C-N 3.31Å; V527-A529 PolarHBondContact O-N 2.69Å; V527-Y530 PolarHBondContact O-N 3.49Å; V527-R531 PolarHBondContact O-N 3.48Å; V527-D546 WeakPolarHBondContact CG1-OD1 3.47Å; V527-R547 WeakPolarHBondContact CG1-O 3.37Å; V527-R547 WeakPolarHBondContact CG2-O 3.3Å; V527-V549 HydrophobicContact CG2-CG2 4.02Å
528	K	90.6	Very high	91.4	Very high	84 Å²	84	42.4 Å²	42.4	37%	0.365	19%	0.191	S	C	.	.	H	α-helix	trans	-58.8	-41.7	174.5	-67.6	174.3	-174.6	169.7	0	112.1	K524 E525 L526 R531 F532 F673	K524-K528 WeakPolarHBondContact O-CG 3.49Å; K524-K528 PolarHBondContact O-N 2.87Å; K524-K528 VanDerWaalsContact O-N 3.11Å; E525-K528 VanDerWaalsContact CD-NZ 3.29Å; E525-K528 WeakPolarHBondContact O-CB 3.29Å; E525-K528 PolarHBondContact O-N 3.07Å; E525-K528 IonicContact OE1-NZ 3.13Å; E525-K528 PolarHBondContact OE1-NZ 2.87Å; E525-K528 WeakPolarHBondContact OE2-CD 3.3Å; E525-K528 IonicContact OE2-NZ 3.33Å; E525-K528 PolarHBondContact OE2-NZ 2.9Å; E525-K528 VanDerWaalsContact OE2-NZ 3.13Å; L526-K528 PolarHBondContact O-N 3.35Å; K528-R531 WeakPolarHBondContact O-CB 3.4Å; K528-R531 PolarHBondContact O-N 2.88Å; K528-F532 WeakPolarHBondContact O-CD2 3.43Å; K528-F673 HydrophobicContact CB-CE1 4.07Å
529	A	90.3	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-48.9	176.9	0	0	0	0	0	111.3	E525 L526 V527 R531 F532 L663 F673	E525-A529 PolarHBondContact O-N 2.85Å; L526-A529 WeakPolarHBondContact O-CB 3.24Å; L526-A529 PolarHBondContact O-N 2.66Å; V527-A529 VanDerWaalsContact C-N 3.31Å; V527-A529 PolarHBondContact O-N 2.69Å; A529-R531 PolarHBondContact O-N 2.9Å; A529-F532 PolarHBondContact O-N 2.7Å; A529-L663 HydrophobicContact CB-CD1 4.22Å; A529-F673 HydrophobicContact CB-CE1 3.86Å; A529-F673 HydrophobicContact CB-CZ 3.89Å
530	Y	91.1	Very high	91.6	Very high	17 Å²	17	44.3 Å²	44.3	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-19.4	178.8	-85.6	-73.1	0	0	0	114.5	L526 V527 F532 L533 R544 V549 Y558 E658 L660 F662	L526-Y530 HydrophobicContact CD1-CD2 3.95Å; L526-Y530 HydrophobicContact CD1-CE2 3.71Å; L526-Y530 HydrophobicContact CD2-CE2 4.23Å; L526-Y530 HydrophobicContact CG-CD2 3.86Å; L526-Y530 HydrophobicContact CG-CE2 3.81Å; L526-Y530 WeakPolarHBondContact O-CD2 3.46Å; L526-Y530 PolarHBondContact O-N 3.46Å; V527-Y530 PolarHBondContact O-N 3.49Å; Y530-F532 PolarHBondContact O-N 3Å; Y530-F532 VanDerWaalsContact O-N 3.17Å; Y530-L533 HydrophobicContact CD1-CB 4.5Å; Y530-L533 HydrophobicContact CD1-CD2 4.04Å; Y530-L533 HydrophobicContact CE1-CD2 4.45Å; Y530-L533 WeakPolarHBondContact O-CB 3.38Å; Y530-L533 PolarHBondContact O-N 2.85Å; Y530-R544 VanDerWaalsContact O-CB 3.25Å; Y530-R544 WeakPolarHBondContact O-CB 3.3Å; Y530-V549 HydrophobicContact CD2-CG2 4.17Å; Y530-V549 HydrophobicContact CE2-CG2 4.47Å; Y530-Y558 HydrophobicContact CE2-CE1 4.16Å; Y530-Y558 WeakPolarHBondContact OH-CE1 3.37Å; Y530-Y558 PolarHBondContact OH-OH 3.21Å; Y530-E658 PolarHBondContact OH-OE2 3.03Å; Y530-L660 HydrophobicContact CE1-CD2 4.07Å; Y530-L660 HydrophobicContact CE2-CD1 4.43Å; Y530-F662 HydrophobicContact CD1-CE1 4.49Å; Y530-F662 HydrophobicContact CD1-CZ 4.01Å; Y530-F662 HydrophobicContact CE1-CE1 4.47Å; Y530-F662 HydrophobicContact CE1-CZ 4.37Å
531	R	91.1	Very high	91.6	Very high	155 Å²	155	44.2 Å²	44.2	59%	0.585	22%	0.215	S	C	*	.	H	α-helix	trans	-55.9	-31.7	174.7	-171.9	177.1	175.3	173.1	-1.5	112.3	V527 K528 A529 L533 R544	V527-R531 PolarHBondContact O-N 3.48Å; K528-R531 WeakPolarHBondContact O-CB 3.4Å; K528-R531 PolarHBondContact O-N 2.88Å; A529-R531 PolarHBondContact O-N 2.9Å; R531-L533 VanDerWaalsContact C-N 3.27Å; R531-L533 PolarHBondContact O-N 2.73Å; R531-R544 PolarHBondContact O-N 3.35Å
532	F	90.2	Very high	91.7	Very high	47 Å²	47	46.6 Å²	46.6	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.9	177.9	-66.7	-84	0	0	0	114.1	K528 A529 Y530 A534 V535 F662 L663 E669 P671	K528-F532 WeakPolarHBondContact O-CD2 3.43Å; A529-F532 PolarHBondContact O-N 2.7Å; Y530-F532 PolarHBondContact O-N 3Å; Y530-F532 VanDerWaalsContact O-N 3.17Å; F532-A534 PolarHBondContact O-N 3.25Å; F532-V535 PolarHBondContact O-N 3.33Å; F532-F662 HydrophobicContact CB-CE2 4.49Å; F532-L663 HydrophobicContact CB-CD2 3.75Å; F532-L663 HydrophobicContact CD2-CD2 3.98Å; F532-L663 HydrophobicContact CG-CD2 4.06Å; F532-E669 WeakPolarHBondContact CZ-O 3.43Å; F532-P671 HydrophobicContact CE2-CG 4.21Å
533	L	91.4	Very high	91.8	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.047	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	119.1	177.5	178.8	62.9	0	0	0	109.8	Q195 F199 F258 Y530 R531 V535 G543 R544 F662	Q195-L533 HydrophobicContact CG-CD1 4.37Å; Q195-L533 HydrophobicContact CG-CD2 4.32Å; Q195-L533 HydrophobicContact CG-CG 4.04Å; F199-L533 HydrophobicContact CE1-CD2 4.1Å; F199-L533 HydrophobicContact CZ-CB 4.46Å; F199-L533 HydrophobicContact CZ-CD2 3.74Å; F199-L533 HydrophobicContact CZ-CG 3.98Å; F258-L533 HydrophobicContact CB-CD2 3.86Å; F258-L533 HydrophobicContact CD2-CD1 3.77Å; F258-L533 HydrophobicContact CD2-CD2 4.32Å; F258-L533 HydrophobicContact CE2-CD1 4.27Å; F258-L533 HydrophobicContact CG-CD2 4.33Å; Y530-L533 HydrophobicContact CD1-CB 4.5Å; Y530-L533 HydrophobicContact CD1-CD2 4.04Å; Y530-L533 HydrophobicContact CE1-CD2 4.45Å; Y530-L533 WeakPolarHBondContact O-CB 3.38Å; Y530-L533 PolarHBondContact O-N 2.85Å; R531-L533 VanDerWaalsContact C-N 3.27Å; R531-L533 PolarHBondContact O-N 2.73Å; L533-V535 VanDerWaalsContact C-N 3.3Å; L533-V535 PolarHBondContact O-N 3.48Å; L533-G543 CarbonylContact O-C 3.6Å; L533-G543 WeakPolarHBondContact O-CA 3.48Å; L533-R544 PolarHBondContact O-N 3.43Å; L533-F662 HydrophobicContact CB-CD2 4.26Å; L533-F662 HydrophobicContact CB-CE1 4.36Å; L533-F662 HydrophobicContact CB-CE2 3.92Å; L533-F662 HydrophobicContact CB-CZ 3.98Å; L533-F662 HydrophobicContact CD1-CD1 3.64Å; L533-F662 HydrophobicContact CD1-CD2 4.38Å; L533-F662 HydrophobicContact CD1-CE1 3.82Å; L533-F662 HydrophobicContact CD1-CG 3.94Å; L533-F662 HydrophobicContact CD1-CZ 4.3Å
534	A	91.9	Very high	92	Very high	12 Å²	12	45.6 Å²	45.6	10%	0.099	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.7	180	0	0	0	0	0	115.2	Q195 N196 F532 N536	Q195-A534 HydrophobicContact CB-CB 3.51Å; Q195-A534 HydrophobicContact CG-CB 3.4Å; N196-A534 WeakPolarHBondContact ND2-CB 3.28Å; N196-A534 PolarHBondContact ND2-O 3.4Å; F532-A534 PolarHBondContact O-N 3.25Å; A534-N536 PolarHBondContact O-N 3.42Å
535	V	92.4	Very high	92.1	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.236	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.3	161.4	173.2	0	0	0	0	108.8	F532 L533 S542	F532-V535 PolarHBondContact O-N 3.33Å; L533-V535 VanDerWaalsContact C-N 3.3Å; L533-V535 PolarHBondContact O-N 3.48Å; V535-S542 WeakPolarHBondContact CG2-O 3.32Å
536	N	93.1	Very high	91.9	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.048	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	104.3	176.4	-167.1	-59.2	0	0	0	111.1	D189 A534 K538 L539 G540 L541	D189-N536 WeakPolarHBondContact CA-ND2 3.23Å; D189-N536 PolarHBondContact OD1-ND2 3.06Å; A534-N536 PolarHBondContact O-N 3.42Å; N536-K538 VanDerWaalsContact C-N 3.33Å; N536-K538 PolarHBondContact O-N 2.82Å; N536-K538 WeakPolarHBondContact OD1-CB 3.41Å; N536-K538 PolarHBondContact OD1-N 2.81Å; N536-L539 HydrophobicContact CB-CB 4.35Å; N536-L539 PolarHBondContact O-N 3.13Å; N536-L539 PolarHBondContact OD1-N 3.3Å; N536-G540 PolarHBondContact O-N 3.15Å; N536-G540 VanDerWaalsContact O-N 3.07Å; N536-L541 HydrophobicContact CB-CB 4.18Å; N536-L541 HydrophobicContact CB-CD1 4.4Å; N536-L541 PolarHBondContact N-O 2.84Å; N536-L541 PolarHBondContact O-N 3.3Å
537	K	91.9	Very high	91.6	Very high	137 Å²	137	48.8 Å²	48.8	60%	0.596	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.9	-178.9	-65	-178.9	-179.6	174.5	0	113.1	G540 E669	K537-G540 PolarHBondContact O-N 3.21Å; K537-E669 IonicContact NZ-OE1 2.68Å; K537-E669 PolarHBondContact NZ-OE1 3.42Å; K537-E669 IonicContact NZ-OE2 2.72Å; K537-E669 PolarHBondContact NZ-OE2 3.1Å
538	K	93.8	Very high	91.3	Very high	166 Å²	166	51.4 Å²	51.4	72%	0.722	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-35.7	179.7	-58.2	-179.1	-168	165.4	0	112	D189 N536	D189-K538 IonicContact OD1-NZ 2.83Å; D189-K538 IonicContact OD2-NZ 3.99Å; D189-K538 PolarHBondContact OD2-NZ 2.83Å; N536-K538 VanDerWaalsContact C-N 3.33Å; N536-K538 PolarHBondContact O-N 2.82Å; N536-K538 WeakPolarHBondContact OD1-CB 3.41Å; N536-K538 PolarHBondContact OD1-N 2.81Å
539	L	94.7	Very high	91.1	Very high	42 Å²	42	47.7 Å²	47.7	22%	0.22	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-0.9	179.6	-62	176	0	0	0	113.2	M122 A125 F193 N536 L541	M122-L539 HydrophobicContact CE-CD1 3.92Å; M122-L539 HydrophobicContact CE-CD2 4.16Å; A125-L539 HydrophobicContact CB-CB 4.16Å; A125-L539 WeakPolarHBondContact CB-O 3.42Å; F193-L539 HydrophobicContact CB-CD1 4.07Å; F193-L539 HydrophobicContact CD2-CD1 4.3Å; N536-L539 HydrophobicContact CB-CB 4.35Å; N536-L539 PolarHBondContact O-N 3.13Å; N536-L539 PolarHBondContact OD1-N 3.3Å; L539-L541 VanDerWaalsContact C-N 3.29Å; L539-L541 HydrophobicContact CB-CD1 3.92Å; L539-L541 HydrophobicContact CB-CG 3.97Å; L539-L541 HydrophobicContact CD1-CD1 4.09Å; L539-L541 PolarHBondContact O-N 2.99Å
540	G	95.3	Very high	90.9	Very high	55 Å²	55	48.1 Å²	48.1	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	19.3	-177.1	0	0	0	0	0	114.7	N536 K537	N536-G540 PolarHBondContact O-N 3.15Å; N536-G540 VanDerWaalsContact O-N 3.07Å; K537-G540 PolarHBondContact O-N 3.21Å
541	L	95.5	Very high	90.8	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.5	-175.7	-62.5	170.8	0	0	0	111.4	A125 V128 E129 F193 N196 N536 L539 G543	A125-L541 HydrophobicContact CB-CD2 4.34Å; A125-L541 WeakPolarHBondContact O-CD2 3.46Å; V128-L541 HydrophobicContact CB-CD2 4.35Å; V128-L541 HydrophobicContact CG1-CD2 4.17Å; E129-L541 HydrophobicContact CB-CD2 4.36Å; E129-L541 WeakPolarHBondContact OE2-CA 3.46Å; F193-L541 HydrophobicContact CD2-CD1 4.13Å; N196-L541 HydrophobicContact CB-CD1 4.16Å; N196-L541 HydrophobicContact CB-CD2 4.4Å; N536-L541 HydrophobicContact CB-CB 4.18Å; N536-L541 HydrophobicContact CB-CD1 4.4Å; N536-L541 PolarHBondContact N-O 2.84Å; N536-L541 PolarHBondContact O-N 3.3Å; L539-L541 VanDerWaalsContact C-N 3.29Å; L539-L541 HydrophobicContact CB-CD1 3.92Å; L539-L541 HydrophobicContact CB-CG 3.97Å; L539-L541 HydrophobicContact CD1-CD1 4.09Å; L539-L541 PolarHBondContact O-N 2.99Å; L541-G543 VanDerWaalsContact C-N 3.33Å; L541-G543 PolarHBondContact O-N 3.46Å
542	S	93.2	Very high	90.7	Very high	52 Å²	52	41.2 Å²	41.2	36%	0.364	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-1.3	-176.2	74.6	0	0	0	0	115.1	E129 V535	E129-S542 VanDerWaalsContact CD-OG 3.24Å; E129-S542 WeakPolarHBondContact OE1-CB 3.27Å; E129-S542 PolarHBondContact OE1-OG 3.49Å; E129-S542 PolarHBondContact OE2-N 3.04Å; E129-S542 PolarHBondContact OE2-OG 3.48Å; V535-S542 WeakPolarHBondContact CG2-O 3.32Å
543	G	92.3	Very high	90.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.			trans	84	-153.5	-176.4	0	0	0	0	0	114	K132 L533 L541	K132-G543 PolarHBondContact NZ-O 2.88Å; L533-G543 CarbonylContact O-C 3.6Å; L533-G543 WeakPolarHBondContact O-CA 3.48Å; L541-G543 VanDerWaalsContact C-N 3.33Å; L541-G543 PolarHBondContact O-N 3.46Å
544	R	92.6	Very high	90.7	Very high	11 Å²	11	38.9 Å²	38.9	4%	0.042	22%	0.22	C	C	.	.	S	Bend	trans	-67.4	130.7	-177.5	-167.9	-175.3	174.2	-100.2	5.5	110.6	F199 D260 Y530 R531 L533 R547	F199-R544 HydrophobicContact CD1-CG 4.15Å; F199-R544 HydrophobicContact CD2-CB 4.45Å; F199-R544 HydrophobicContact CE1-CB 4.04Å; F199-R544 HydrophobicContact CE1-CG 3.81Å; F199-R544 VanDerWaalsContact CE2-CA 3.49Å; F199-R544 HydrophobicContact CE2-CB 3.86Å; F199-R544 HydrophobicContact CE2-CG 4.39Å; F199-R544 HydrophobicContact CZ-CB 3.62Å; F199-R544 HydrophobicContact CZ-CG 3.95Å; D260-R544 IonicContact OD2-NH2 2.65Å; D260-R544 PolarHBondContact OD2-NH2 3.44Å; Y530-R544 VanDerWaalsContact O-CB 3.25Å; Y530-R544 WeakPolarHBondContact O-CB 3.3Å; R531-R544 PolarHBondContact O-N 3.35Å; L533-R544 PolarHBondContact O-N 3.43Å; R544-R547 PolarHBondContact NH1-O 2.86Å; R544-R547 PolarHBondContact NH2-O 3.13Å
545	P	90.5	Very high	90.8	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.078	22%	0.215	C	C	.	.			trans	-63.2	160.6	174.6	-22.4	35.7	0	0	0	112.2	K132 R547	K132-P545 HydrophobicContact CB-CG 3.78Å; K132-P545 HydrophobicContact CD-CG 4Å; K132-P545 HydrophobicContact CG-CG 4.17Å; P545-R547 HydrophobicContact CB-CG 4.15Å; P545-R547 PolarHBondContact O-N 3.24Å
546	D	86.3	Confident	90.8	Very high	142 Å²	142	37 Å²	37	76%	0.759	21%	0.206	S	C	*	.	S	Bend	trans	-70.5	71.7	-179.3	-166.4	19.8	0	0	0	111.8	V527	V527-D546 WeakPolarHBondContact CG1-OD1 3.47Å
547	R	85.4	Confident	90.8	Very high	25 Å²	25	36.5 Å²	36.5	9%	0.094	20%	0.204	C	C	.	.			trans	-109.2	136.8	-176.4	-64	172	-173.2	176.2	2.7	109.5	K132 F199 E202 V527 R544 P545	K132-R547 PolarHBondContact O-NH2 3.4Å; K132-R547 VanDerWaalsContact O-NH2 3.13Å; F199-R547 PolarHBondContact O-NH1 3.37Å; F199-R547 PolarHBondContact O-NH2 3.28Å; E202-R547 IonicContact OE2-NH1 3.36Å; E202-R547 PolarHBondContact OE2-NH1 3.09Å; V527-R547 WeakPolarHBondContact CG1-O 3.37Å; V527-R547 WeakPolarHBondContact CG2-O 3.3Å; R544-R547 PolarHBondContact NH1-O 2.86Å; R544-R547 PolarHBondContact NH2-O 3.13Å; P545-R547 HydrophobicContact CB-CG 4.15Å; P545-R547 PolarHBondContact O-N 3.24Å
548	P	83.9	Confident	90.8	Very high	62 Å²	62	30 Å²	30	40%	0.403	18%	0.176	S	C	.	.			trans	-60.2	142.4	176.1	24.8	-32.9	0	0	0	111	Q523 I570	Q523-P548 VanDerWaalsContact NE2-CB 3.26Å; P548-I570 HydrophobicContact CB-CD1 4.41Å
549	V	86.8	Confident	90.7	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	16%	0.158	C	C	.	.			trans	-85.4	121	171	177.6	0	0	0	0	108.8	Q523 L526 V527 Y530 T554	Q523-V549 HydrophobicContact CG-CB 4.28Å; Q523-V549 PolarHBondContact NE2-O 2.86Å; L526-V549 HydrophobicContact CD2-CB 4.26Å; L526-V549 HydrophobicContact CD2-CG1 3.91Å; L526-V549 HydrophobicContact CD2-CG2 4.19Å; L526-V549 HydrophobicContact CG-CG2 4.26Å; V527-V549 HydrophobicContact CG2-CG2 4.02Å; Y530-V549 HydrophobicContact CD2-CG2 4.17Å; Y530-V549 HydrophobicContact CE2-CG2 4.47Å; V549-T554 HydrophobicContact CG1-CG2 4.37Å
550	G	86.6	Confident	90.4	Very high	9 Å²	9	24.7 Å²	24.7	9%	0.093	15%	0.148	C	C	.	.			trans	-73	-173.7	-174.8	0	0	0	0	0	114.4	D262 I552 G553 T554	D262-G550 WeakPolarHBondContact OD1-CA 3.41Å; D262-G550 VanDerWaalsContact OD2-C 3.27Å; D262-G550 VanDerWaalsContact OD2-CA 3.28Å; D262-G550 WeakPolarHBondContact OD2-CA 3.23Å; G550-I552 VanDerWaalsContact C-N 3.3Å; G550-I552 PolarHBondContact O-N 3.02Å; G550-G553 PolarHBondContact O-N 2.89Å; G550-T554 PolarHBondContact O-N 3.46Å; G550-T554 PolarHBondContact O-OG1 2.96Å
551	C	87.6	Confident	89.9	Confident	25 Å²	25	25.4 Å²	25.4	17%	0.169	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-41.4	-174.6	-68.4	0	0	0	0	111.8	D262 T554 C555 F596	D262-C551 PolarHBondContact OD1-N 3.09Å; C551-T554 WeakPolarHBondContact CA-OG1 3.45Å; C551-T554 PolarHBondContact O-N 3.41Å; C551-T554 PolarHBondContact O-OG1 3.08Å; C551-C555 PolarHBondContact O-N 3.46Å; C551-C555 VanDerWaalsContact O-N 3.13Å; C551-C555 PolarHBondContact O-SG 3.41Å; C551-F596 HydrophobicContact CB-CD1 4.38Å
552	I	89.6	Confident	89.4	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-45	-179.3	-63.7	167	0	0	0	110.2	L261 D262 N265 G550 C555 F596 C600 W601 M603	L261-I552 HydrophobicContact CB-CB 4.43Å; L261-I552 HydrophobicContact CB-CG2 3.84Å; L261-I552 HydrophobicContact CD1-CG2 3.78Å; L261-I552 HydrophobicContact CG-CG2 4.49Å; D262-I552 PolarHBondContact OD1-N 3.07Å; D262-I552 VanDerWaalsContact OD1-N 3.16Å; D262-I552 WeakPolarHBondContact OD2-CB 3.47Å; D262-I552 PolarHBondContact OD2-N 3.42Å; N265-I552 WeakPolarHBondContact ND2-CD1 3.34Å; G550-I552 VanDerWaalsContact C-N 3.3Å; G550-I552 PolarHBondContact O-N 3.02Å; I552-C555 PolarHBondContact O-N 3.47Å; I552-F596 HydrophobicContact CD1-CD1 4.44Å; I552-F596 HydrophobicContact CD1-CE1 3.58Å; I552-F596 HydrophobicContact CD1-CZ 3.85Å; I552-F596 HydrophobicContact CG1-CD1 4.28Å; I552-F596 HydrophobicContact CG1-CE1 3.7Å; I552-F596 HydrophobicContact CG1-CZ 4.47Å; I552-C600 HydrophobicContact CD1-CB 3.58Å; I552-W601 HydrophobicContact CG2-CE3 3.93Å; I552-W601 HydrophobicContact CG2-CZ3 4Å; I552-M603 HydrophobicContact CG2-CE 3.99Å
553	G	89.9	Confident	89.2	Confident	6 Å²	6	31.2 Å²	31.2	6%	0.062	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-46.2	175.3	0	0	0	0	0	112.4	D262 G550 C555 K556 Y558	D262-G553 PolarHBondContact OD2-N 3.18Å; G550-G553 PolarHBondContact O-N 2.89Å; G553-C555 PolarHBondContact O-N 3.32Å; G553-K556 PolarHBondContact O-N 3.09Å; G553-Y558 WeakPolarHBondContact O-CE2 3.45Å; G553-Y558 PolarHBondContact O-OH 3Å
554	T	92.4	Very high	89.3	Confident	1 Å²	1	32 Å²	32	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-17.5	-179.9	55.7	0	0	0	0	114.7	Q523 V549 G550 C551 K556 C567	Q523-T554 HydrophobicContact CB-CG2 4.21Å; Q523-T554 HydrophobicContact CG-CG2 3.85Å; V549-T554 HydrophobicContact CG1-CG2 4.37Å; G550-T554 PolarHBondContact O-N 3.46Å; G550-T554 PolarHBondContact O-OG1 2.96Å; C551-T554 WeakPolarHBondContact CA-OG1 3.45Å; C551-T554 PolarHBondContact O-N 3.41Å; C551-T554 PolarHBondContact O-OG1 3.08Å; T554-K556 VanDerWaalsContact C-N 3.26Å; T554-K556 PolarHBondContact O-N 3.42Å; T554-C567 HydrophobicContact CG2-CB 4.21Å
555	C	93.2	Very high	89.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	20.6	-179	-65.8	0	0	0	0	114.2	C551 I552 G553 I597 W601 P607 L608 F609	C551-C555 PolarHBondContact O-N 3.46Å; C551-C555 VanDerWaalsContact O-N 3.13Å; C551-C555 PolarHBondContact O-SG 3.41Å; I552-C555 PolarHBondContact O-N 3.47Å; G553-C555 PolarHBondContact O-N 3.32Å; C555-I597 HydrophobicContact CB-CD1 4.43Å; C555-I597 WeakPolarHBondContact SG-CD1 3.39Å; C555-W601 HydrophobicContact CB-CZ3 4.17Å; C555-W601 WeakPolarHBondContact O-CH2 3.36Å; C555-P607 HydrophobicContact CB-CB 4.24Å; C555-L608 CarbonylContact C-O 3.57Å; C555-L608 WeakPolarHBondContact CA-O 3.34Å; C555-L608 PolarHBondContact O-N 2.83Å; C555-F609 VanDerWaalsContact SG-CD2 3.57Å
556	K	91.9	Very high	89.6	Confident	11 Å²	11	31 Å²	31	5%	0.048	18%	0.176	C	C	.	.	S	Bend	trans	-108	158.6	177	-58.8	178.6	-174.9	-177.5	0	110.6	G553 T554 Y558 W601 F656 E658	G553-K556 PolarHBondContact O-N 3.09Å; T554-K556 VanDerWaalsContact C-N 3.26Å; T554-K556 PolarHBondContact O-N 3.42Å; K556-Y558 HydrophobicContact CB-CE2 3.94Å; K556-W601 HydrophobicContact CG-CH2 3.88Å; K556-W601 HydrophobicContact CG-CZ3 4.28Å; K556-F656 HydrophobicContact CB-CD1 4.22Å; K556-F656 HydrophobicContact CD-CD1 3.92Å; K556-F656 HydrophobicContact CD-CE1 3.91Å; K556-F656 HydrophobicContact CG-CD1 3.86Å; K556-F656 HydrophobicContact CG-CE1 4.37Å; K556-E658 HydrophobicContact CD-CB 4.33Å; K556-E658 WeakPolarHBondContact CD-OE2 3.49Å; K556-E658 WeakPolarHBondContact CE-OE2 3.25Å; K556-E658 VanDerWaalsContact NZ-CD 3.29Å; K556-E658 IonicContact NZ-OE1 2.67Å; K556-E658 PolarHBondContact NZ-OE1 3.49Å; K556-E658 IonicContact NZ-OE2 3.77Å; K556-E658 PolarHBondContact NZ-OE2 2.84Å
557	I	93.1	Very high	89.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.4	163.8	-61	176.9	0	0	0	108.1	T564 V566 L608 I652 A655 F656 V657 E658	I557-T564 HydrophobicContact CG2-CG2 3.65Å; I557-V566 HydrophobicContact CG1-CG1 4.05Å; I557-L608 HydrophobicContact CD1-CD2 4.12Å; I557-L608 HydrophobicContact CG1-CD2 3.78Å; I557-I652 HydrophobicContact CD1-CB 4.11Å; I557-I652 HydrophobicContact CD1-CG1 3.9Å; I557-I652 HydrophobicContact CD1-CG2 4.07Å; I557-A655 HydrophobicContact CD1-CB 3.51Å; I557-A655 HydrophobicContact CG1-CB 4.14Å; I557-F656 WeakPolarHBondContact CB-O 3.44Å; I557-F656 PolarHBondContact N-O 3.26Å; I557-V657 HydrophobicContact CB-CG2 4.14Å; I557-V657 HydrophobicContact CG2-CG1 4.42Å; I557-V657 HydrophobicContact CG2-CG2 4.29Å; I557-V657 CarbonylContact O-C 3.59Å; I557-V657 VanDerWaalsContact O-CA 3.32Å; I557-V657 WeakPolarHBondContact O-CA 3.31Å; I557-E658 PolarHBondContact O-N 3.19Å
558	Y	92.9	Very high	90.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137	178.5	-69.6	-79.9	0	0	0	111.4	L526 Y530 G553 K556 V565 E658 L660	L526-Y558 HydrophobicContact CD1-CD1 4.16Å; L526-Y558 HydrophobicContact CD1-CD2 4.05Å; L526-Y558 HydrophobicContact CD1-CE1 4.08Å; L526-Y558 HydrophobicContact CD1-CE2 3.96Å; L526-Y558 HydrophobicContact CD1-CG 4.13Å; L526-Y558 HydrophobicContact CD2-CD2 4.24Å; L526-Y558 HydrophobicContact CD2-CE2 3.48Å; L526-Y558 VanDerWaalsContact CD2-CE2 3.48Å; L526-Y558 HydrophobicContact CG-CE2 4.38Å; Y530-Y558 HydrophobicContact CE2-CE1 4.16Å; Y530-Y558 WeakPolarHBondContact OH-CE1 3.37Å; Y530-Y558 PolarHBondContact OH-OH 3.21Å; G553-Y558 WeakPolarHBondContact O-CE2 3.45Å; G553-Y558 PolarHBondContact O-OH 3Å; K556-Y558 HydrophobicContact CB-CE2 3.94Å; Y558-V565 PolarHBondContact N-O 2.69Å; Y558-V565 PolarHBondContact O-N 2.84Å; Y558-E658 CarbonylContact C-O 3.55Å; Y558-E658 WeakPolarHBondContact CA-O 3.23Å; Y558-E658 HydrophobicContact CD1-CB 3.95Å; Y558-E658 HydrophobicContact CD1-CG 4.42Å; Y558-E658 HydrophobicContact CE1-CB 3.91Å; Y558-E658 HydrophobicContact CE1-CG 4.14Å; Y558-E658 WeakPolarHBondContact CE1-OE2 3.37Å; Y558-E658 PolarHBondContact OH-OE2 3.34Å; Y558-L660 HydrophobicContact CD1-CD1 3.95Å; Y558-L660 HydrophobicContact CD1-CD2 4.05Å; Y558-L660 HydrophobicContact CD1-CG 3.96Å; Y558-L660 HydrophobicContact CE1-CD1 4.42Å; Y558-L660 HydrophobicContact CE1-CD2 4.19Å
559	R	91	Very high	90.4	Very high	94 Å²	94	20.6 Å²	20.6	36%	0.355	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.2	166.3	-64.9	-66.6	-177.7	158.9	-0.5	108.5	K563 T564 V657 E658 Q659 L660	R559-K563 WeakPolarHBondContact CA-O 3.19Å; R559-T564 VanDerWaalsContact CZ-OG1 3.3Å; R559-T564 PolarHBondContact NH1-OG1 2.69Å; R559-V657 HydrophobicContact CG-CG1 3.62Å; R559-E658 PolarHBondContact N-O 3.29Å; R559-Q659 HydrophobicContact CB-CG 4.2Å; R559-Q659 HydrophobicContact CG-CG 4.5Å; R559-L660 PolarHBondContact O-N 2.64Å; R559-L660 VanDerWaalsContact O-N 3.1Å
560	I	88.9	Confident	90.2	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.2	-174	-59	176.8	0	0	0	108.1	W521 L526 G562 K563 V565 L660 L663	W521-I560 HydrophobicContact CE3-CD1 4.36Å; W521-I560 HydrophobicContact CH2-CB 4.43Å; W521-I560 HydrophobicContact CH2-CD1 3.83Å; W521-I560 HydrophobicContact CH2-CG2 4.05Å; W521-I560 HydrophobicContact CZ3-CD1 3.55Å; L526-I560 HydrophobicContact CD1-CD1 4.44Å; I560-G562 PolarHBondContact O-N 3.04Å; I560-G562 VanDerWaalsContact O-N 3.12Å; I560-K563 PolarHBondContact N-O 3.37Å; I560-K563 WeakPolarHBondContact O-CA 3.5Å; I560-K563 WeakPolarHBondContact O-CB 3.32Å; I560-K563 PolarHBondContact O-N 2.92Å; I560-V565 HydrophobicContact CB-CG2 4.38Å; I560-V565 HydrophobicContact CD1-CB 4.29Å; I560-V565 HydrophobicContact CD1-CG1 4.48Å; I560-V565 HydrophobicContact CD1-CG2 4.24Å; I560-L660 HydrophobicContact CD1-CD1 3.75Å; I560-L660 HydrophobicContact CG1-CB 4.23Å; I560-L660 HydrophobicContact CG1-CD1 3.84Å; I560-L660 HydrophobicContact CG1-CG 4.12Å; I560-L663 HydrophobicContact CG2-CD1 3.62Å
561	L	85.3	Confident	90	Very high	69 Å²	69	23.1 Å²	23.1	36%	0.361	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	42.4	177.9	-55.5	176.2	0	0	0	113.2	K563 L663 R664 I670	L561-K563 PolarHBondContact O-N 2.78Å; L561-L663 HydrophobicContact CD2-CB 4.13Å; L561-R664 HydrophobicContact CD2-CG 4.36Å; L561-I670 HydrophobicContact CD1-CD1 4Å; L561-I670 HydrophobicContact CD1-CG2 4.48Å; L561-I670 HydrophobicContact CD2-CD1 4.3Å
562	G	83.8	Confident	90	Very high	67 Å²	67	22.4 Å²	22.4	69%	0.691	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	-9.5	-178.6	0	0	0	0	0	115.6	I560	I560-G562 PolarHBondContact O-N 3.04Å; I560-G562 VanDerWaalsContact O-N 3.12Å
563	K	89.5	Confident	89.4	Confident	111 Å²	111	23 Å²	23	48%	0.483	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.4	177	-58.9	178.2	-179.2	177.6	0	111.4	R559 I560 L561 V565	R559-K563 WeakPolarHBondContact CA-O 3.19Å; I560-K563 PolarHBondContact N-O 3.37Å; I560-K563 WeakPolarHBondContact O-CA 3.5Å; I560-K563 WeakPolarHBondContact O-CB 3.32Å; I560-K563 PolarHBondContact O-N 2.92Å; L561-K563 PolarHBondContact O-N 2.78Å; K563-V565 HydrophobicContact CB-CG2 4.43Å
564	T	93.6	Very high	88.6	Confident	17 Å²	17	25.7 Å²	25.7	10%	0.104	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.6	168.9	-47.2	0	0	0	0	108.4	I518 Q519 I557 R559	I518-T564 HydrophobicContact CG1-CG2 4.42Å; I518-T564 HydrophobicContact CG2-CG2 4.18Å; Q519-T564 PolarHBondContact N-O 3.32Å; I557-T564 HydrophobicContact CG2-CG2 3.65Å; R559-T564 VanDerWaalsContact CZ-OG1 3.3Å; R559-T564 PolarHBondContact NH1-OG1 2.69Å
565	V	94.5	Very high	87.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.8	-176.5	176	0	0	0	0	109.4	Q519 W521 Y558 I560 K563	Q519-V565 HydrophobicContact CB-CG2 4.41Å; Q519-V565 WeakPolarHBondContact O-CA 3.42Å; W521-V565 HydrophobicContact CB-CG1 3.92Å; W521-V565 HydrophobicContact CD2-CB 4.39Å; W521-V565 HydrophobicContact CD2-CG1 3.33Å; W521-V565 HydrophobicContact CD2-CG2 4.14Å; W521-V565 HydrophobicContact CE3-CG1 3.62Å; W521-V565 HydrophobicContact CG-CG1 3.49Å; W521-V565 VanDerWaalsContact CG-CG1 3.49Å; W521-V565 HydrophobicContact CH2-CG2 4.04Å; W521-V565 HydrophobicContact CZ2-CG1 4.36Å; W521-V565 HydrophobicContact CZ2-CG2 3.61Å; W521-V565 HydrophobicContact CZ3-CG1 4.24Å; W521-V565 HydrophobicContact CZ3-CG2 4.48Å; Y558-V565 PolarHBondContact N-O 2.69Å; Y558-V565 PolarHBondContact O-N 2.84Å; I560-V565 HydrophobicContact CB-CG2 4.38Å; I560-V565 HydrophobicContact CD1-CB 4.29Å; I560-V565 HydrophobicContact CD1-CG1 4.48Å; I560-V565 HydrophobicContact CD1-CG2 4.24Å; K563-V565 HydrophobicContact CB-CG2 4.43Å
566	V	95	Very high	86.3	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.8	169.9	-63	0	0	0	0	109.2	I518 Q519 I520 W521 I557 L608 L610 L648	I518-V566 HydrophobicContact CG2-CG1 4.15Å; I518-V566 HydrophobicContact CG2-CG2 4.01Å; Q519-V566 PolarHBondContact O-N 2.76Å; I520-V566 CarbonylContact C-O 3.57Å; I520-V566 WeakPolarHBondContact CA-O 3.19Å; I520-V566 HydrophobicContact CG1-CG2 3.98Å; W521-V566 PolarHBondContact N-O 2.72Å; I557-V566 HydrophobicContact CG1-CG1 4.05Å; V566-L608 HydrophobicContact CB-CD2 4.48Å; V566-L608 HydrophobicContact CG1-CD2 3.78Å; V566-L610 HydrophobicContact CB-CD1 4.49Å; V566-L610 HydrophobicContact CG2-CD1 3.7Å; V566-L648 HydrophobicContact CG1-CD1 4.39Å; V566-L648 HydrophobicContact CG2-CD2 3.8Å
567	C	93.9	Very high	85.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.4	-179.6	-64.2	0	0	0	0	110.6	W521 T554	W521-C567 WeakPolarHBondContact O-CA 3.03Å; T554-C567 HydrophobicContact CG2-CB 4.21Å
568	Y	91.8	Very high	85.6	Confident	9 Å²	9	30.6 Å²	30.6	4%	0.035	17%	0.171	C	C	.	.			trans	-85.8	143.7	161.2	54.5	-96.7	0	0	0	110.1	I520 P522 F572 L612 F676	I520-Y568 HydrophobicContact CG2-CD1 3.91Å; I520-Y568 HydrophobicContact CG2-CE1 4.42Å; P522-Y568 HydrophobicContact CB-CE1 4.4Å; P522-Y568 WeakPolarHBondContact CB-OH 2.87Å; P522-Y568 HydrophobicContact CG-CE1 4.39Å; P522-Y568 WeakPolarHBondContact CG-OH 3.33Å; Y568-F572 HydrophobicContact CD2-CB 3.86Å; Y568-F572 HydrophobicContact CE2-CB 4.45Å; Y568-L612 HydrophobicContact CD1-CD2 4.19Å; Y568-L612 HydrophobicContact CE1-CD2 4.1Å; Y568-L612 HydrophobicContact CG-CD2 4.43Å; Y568-F676 HydrophobicContact CE1-CB 4.38Å; Y568-F676 HydrophobicContact CE1-CD2 4.32Å; Y568-F676 HydrophobicContact CE1-CG 4.35Å
569	P	88.4	Confident	85.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.			trans	-61.2	155.9	176.9	-25	34.5	0	0	0	113.7	V571 F572 F609 L610	P569-V571 HydrophobicContact CB-CG1 3.7Å; P569-V571 PolarHBondContact O-N 3.18Å; P569-F572 PolarHBondContact O-N 3.3Å; P569-F609 HydrophobicContact CB-CE2 4.38Å; P569-F609 HydrophobicContact CG-CD2 3.96Å; P569-F609 HydrophobicContact CG-CE2 3.57Å; P569-F609 HydrophobicContact CG-CZ 3.95Å; P569-L610 WeakPolarHBondContact CD-O 3.35Å
570	I	81.3	Confident	84.9	Confident	49 Å²	49	27.7 Å²	27.7	25%	0.251	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-56.4	-25	-178.7	-164.6	172.1	0	0	0	113.8	P548 F572 D573	P548-I570 HydrophobicContact CB-CD1 4.41Å; I570-F572 PolarHBondContact O-N 3.17Å; I570-F572 VanDerWaalsContact O-N 3.08Å; I570-D573 HydrophobicContact CG1-CB 4.37Å; I570-D573 WeakPolarHBondContact O-CB 3.38Å; I570-D573 PolarHBondContact O-N 3.45Å
571	V	83.4	Confident	84.7	Confident	18 Å²	18	28.7 Å²	28.7	11%	0.109	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-56.1	-24.8	174.9	48.5	0	0	0	0	112.9	P569 S580 L586 D589 I590	P569-V571 HydrophobicContact CB-CG1 3.7Å; P569-V571 PolarHBondContact O-N 3.18Å; V571-S580 VanDerWaalsContact O-CB 3.31Å; V571-S580 WeakPolarHBondContact O-CB 3.36Å; V571-L586 HydrophobicContact CG2-CD1 3.37Å; V571-D589 HydrophobicContact CB-CB 4.46Å; V571-D589 HydrophobicContact CG2-CB 3.59Å; V571-I590 HydrophobicContact CG2-CG1 4.48Å
572	F	85.9	Confident	84.8	Confident	10 Å²	10	25.6 Å²	25.6	4%	0.044	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-97.1	1	176.4	-58.5	-76.1	0	0	0	114.1	Y568 P569 I570 L586 I590 F609 L610 V611 L612	Y568-F572 HydrophobicContact CD2-CB 3.86Å; Y568-F572 HydrophobicContact CE2-CB 4.45Å; P569-F572 PolarHBondContact O-N 3.3Å; I570-F572 PolarHBondContact O-N 3.17Å; I570-F572 VanDerWaalsContact O-N 3.08Å; F572-L586 HydrophobicContact CD1-CD1 4.21Å; F572-L586 HydrophobicContact CE1-CD1 4.14Å; F572-I590 HydrophobicContact CE1-CD1 3.75Å; F572-I590 HydrophobicContact CE1-CG1 4.22Å; F572-I590 HydrophobicContact CZ-CD1 3.61Å; F572-I590 HydrophobicContact CZ-CG1 3.71Å; F572-F609 AromaticContact CE2-CE1 3.95Å; F572-F609 HydrophobicContact CE2-CE1 3.95Å; F572-F609 HydrophobicContact CE2-CZ 4.07Å; F572-F609 HydrophobicContact CZ-CE1 4.22Å; F572-L610 WeakPolarHBondContact CE2-O 3.24Å; F572-V611 HydrophobicContact CE1-CG1 4.08Å; F572-V611 HydrophobicContact CZ-CB 4.22Å; F572-V611 HydrophobicContact CZ-CG1 3.88Å; F572-V611 HydrophobicContact CZ-CG2 4.39Å; F572-L612 HydrophobicContact CB-CB 4.21Å; F572-L612 HydrophobicContact CD1-CB 4.33Å; F572-L612 VanDerWaalsContact CD1-O 3.31Å; F572-L612 WeakPolarHBondContact CD1-O 3.39Å; F572-L612 HydrophobicContact CG-CB 4.23Å
573	D	77.8	Confident	85	Confident	15 Å²	15	22.7 Å²	22.7	8%	0.08	12%	0.12	C	C	.	.			trans	-84.3	120	176.7	-165.5	-12.3	0	0	0	110.3	I570 S575	I570-D573 HydrophobicContact CG1-CB 4.37Å; I570-D573 WeakPolarHBondContact O-CB 3.38Å; I570-D573 PolarHBondContact O-N 3.45Å; D573-S575 VanDerWaalsContact C-N 3.34Å; D573-S575 WeakPolarHBondContact OD1-CB 3.3Å; D573-S575 PolarHBondContact OD1-N 2.91Å; D573-S575 PolarHBondContact OD1-OG 3.01Å; D573-S575 PolarHBondContact OD2-OG 3.43Å
574	L	72.3	Confident	85	Confident	62 Å²	62	20 Å²	20	33%	0.325	11%	0.11	S	C	.	.	S	Bend	trans	-89.5	-1	-179.9	-62.7	179.1	0	0	0	112.9	Q581	L574-Q581 HydrophobicContact CD2-CG 3.79Å
575	S	67.1	Low	84.7	Confident	61 Å²	61	19.5 Å²	19.5	43%	0.427	11%	0.107	S	C	.	.	S	Bend	trans	-92.5	-4.9	-172.9	67.1	0	0	0	0	115	K524 D573	K524-S575 VanDerWaalsContact CE-OG 3.3Å; K524-S575 WeakPolarHBondContact CE-OG 3.27Å; K524-S575 PolarHBondContact NZ-OG 3.3Å; D573-S575 VanDerWaalsContact C-N 3.34Å; D573-S575 WeakPolarHBondContact OD1-CB 3.3Å; D573-S575 PolarHBondContact OD1-N 2.91Å; D573-S575 PolarHBondContact OD1-OG 3.01Å; D573-S575 PolarHBondContact OD2-OG 3.43Å
576	D	70.9	Confident	84.5	Confident	44 Å²	44	20.2 Å²	20.2	24%	0.235	11%	0.11	C	C	.	.	S	Bend	trans	-92	-70	176.9	-171.2	33.3	0	0	0	111.2	S785	D576-S785 WeakPolarHBondContact OD1-CB 3.07Å; D576-S785 PolarHBondContact OD1-N 3.28Å; D576-S785 WeakPolarHBondContact OD2-CB 3.43Å; D576-S785 PolarHBondContact OD2-N 3.36Å; D576-S785 PolarHBondContact OD2-OG 3.12Å
577	F	83.5	Confident	84.2	Confident	10 Å²	10	20.4 Å²	20.4	4%	0.044	11%	0.111	C	C	.	.			trans	-150.2	158.2	-176.6	-160.2	-109.6	0	0	0	111.2	L579 K782 A784 V840 E844	F577-L579 VanDerWaalsContact C-N 3.32Å; F577-L579 HydrophobicContact CD1-CB 4.29Å; F577-L579 HydrophobicContact CD1-CD1 3.81Å; F577-L579 HydrophobicContact CD1-CG 3.62Å; F577-L579 HydrophobicContact CE1-CD1 3.98Å; F577-L579 HydrophobicContact CE1-CG 3.79Å; F577-L579 PolarHBondContact O-N 2.9Å; F577-K782 HydrophobicContact CD2-CB 4.19Å; F577-K782 HydrophobicContact CE2-CB 4.19Å; F577-A784 HydrophobicContact CB-CB 3.89Å; F577-A784 HydrophobicContact CD1-CB 3.97Å; F577-A784 HydrophobicContact CD2-CB 3.96Å; F577-A784 HydrophobicContact CE1-CB 4.47Å; F577-A784 HydrophobicContact CE2-CB 4.45Å; F577-A784 HydrophobicContact CG-CB 3.7Å; F577-V840 HydrophobicContact CE2-CG1 4.46Å; F577-V840 HydrophobicContact CZ-CG1 3.86Å; F577-E844 HydrophobicContact CE1-CG 4.41Å
578	Y	86.9	Confident	84	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-80.8	-5.4	-166.9	62.1	-88.7	0	0	0	114.7	S580 Q581 Y761 W770 V773 R774 A777 V840 E844 P896	Y578-S580 PolarHBondContact O-N 3.35Å; Y578-S580 VanDerWaalsContact O-N 3.15Å; Y578-Q581 VanDerWaalsContact O-CB 3.22Å; Y578-Q581 WeakPolarHBondContact O-CB 3.47Å; Y578-Q581 WeakPolarHBondContact O-CG 3.3Å; Y578-Q581 PolarHBondContact O-N 2.97Å; Y578-Y761 WeakPolarHBondContact CB-OH 3.04Å; Y578-Y761 AromaticContact CD1-CE2 3.79Å; Y578-Y761 HydrophobicContact CD1-CE2 3.79Å; Y578-Y761 HydrophobicContact CG-CE2 4.29Å; Y578-Y761 PolarHBondContact N-OH 3.46Å; Y578-Y761 VanDerWaalsContact N-OH 3.08Å; Y578-W770 HydrophobicContact CD2-CE3 4.39Å; Y578-W770 HydrophobicContact CD2-CZ3 4.29Å; Y578-V773 HydrophobicContact CD1-CG1 3.55Å; Y578-V773 HydrophobicContact CD2-CG1 3.62Å; Y578-V773 HydrophobicContact CE1-CG1 3.95Å; Y578-V773 HydrophobicContact CE2-CG1 4.05Å; Y578-V773 HydrophobicContact CG-CG1 3.34Å; Y578-R774 WeakPolarHBondContact OH-CG 3.47Å; Y578-A777 HydrophobicContact CD1-CB 4.39Å; Y578-A777 HydrophobicContact CE1-CB 4.08Å; Y578-V840 HydrophobicContact CE1-CG1 3.78Å; Y578-V840 WeakPolarHBondContact OH-CG1 3.14Å; Y578-E844 PolarHBondContact OH-OE1 3.43Å; Y578-P896 HydrophobicContact CD2-CG 4.48Å; Y578-P896 HydrophobicContact CE2-CG 4.08Å
579	L	86.5	Confident	83.9	Confident	19 Å²	19	25 Å²	25	10%	0.099	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-55	-35.4	-176.1	-76	172.1	0	0	0	112.9	F577 Q581 D582 L585 E844 I847 P896	F577-L579 VanDerWaalsContact C-N 3.32Å; F577-L579 HydrophobicContact CD1-CB 4.29Å; F577-L579 HydrophobicContact CD1-CD1 3.81Å; F577-L579 HydrophobicContact CD1-CG 3.62Å; F577-L579 HydrophobicContact CE1-CD1 3.98Å; F577-L579 HydrophobicContact CE1-CG 3.79Å; F577-L579 PolarHBondContact O-N 2.9Å; L579-Q581 PolarHBondContact O-N 2.96Å; L579-D582 PolarHBondContact O-N 3.26Å; L579-D582 VanDerWaalsContact O-N 3.11Å; L579-L585 HydrophobicContact CD2-CD1 3.89Å; L579-E844 HydrophobicContact CD2-CB 4.48Å; L579-E844 HydrophobicContact CD2-CG 3.97Å; L579-I847 HydrophobicContact CD1-CD1 3.57Å; L579-I847 HydrophobicContact CD1-CG2 4.35Å; L579-P896 HydrophobicContact CD2-CB 3.57Å; L579-P896 HydrophobicContact CD2-CG 3.95Å
580	S	81.8	Confident	84	Confident	13 Å²	13	25 Å²	25	9%	0.091	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-67.6	-10.8	177.4	56.2	0	0	0	0	114.2	V571 Y578	V571-S580 VanDerWaalsContact O-CB 3.31Å; V571-S580 WeakPolarHBondContact O-CB 3.36Å; Y578-S580 PolarHBondContact O-N 3.35Å; Y578-S580 VanDerWaalsContact O-N 3.15Å
581	Q	85.3	Confident	84.5	Confident	25 Å²	25	26.3 Å²	26.3	12%	0.117	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-80.9	-19.6	173.9	-59.5	174.1	-9.7	0	0	112.2	L574 Y578 L579 V583	L574-Q581 HydrophobicContact CD2-CG 3.79Å; Y578-Q581 VanDerWaalsContact O-CB 3.22Å; Y578-Q581 WeakPolarHBondContact O-CB 3.47Å; Y578-Q581 WeakPolarHBondContact O-CG 3.3Å; Y578-Q581 PolarHBondContact O-N 2.97Å; L579-Q581 PolarHBondContact O-N 2.96Å; Q581-V583 PolarHBondContact O-N 2.9Å
582	D	88.3	Confident	84.8	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-73.9	114.4	166.8	-174.5	-48	0	0	0	108.9	L579 M584 L585 L586 W770 S895 P896 S897	L579-D582 PolarHBondContact O-N 3.26Å; L579-D582 VanDerWaalsContact O-N 3.11Å; D582-M584 VanDerWaalsContact C-N 3.3Å; D582-M584 PolarHBondContact O-N 3.43Å; D582-M584 WeakPolarHBondContact OD1-CB 3.39Å; D582-M584 PolarHBondContact OD1-N 2.97Å; D582-L585 HydrophobicContact CB-CB 4.16Å; D582-L585 HydrophobicContact CB-CD1 4.28Å; D582-L585 HydrophobicContact CB-CG 4.18Å; D582-L585 PolarHBondContact O-N 3Å; D582-L585 PolarHBondContact OD1-N 3.5Å; D582-L586 WeakPolarHBondContact O-CB 3.33Å; D582-L586 PolarHBondContact O-N 3.46Å; D582-W770 HydrophobicContact CB-CH2 3.97Å; D582-W770 HydrophobicContact CB-CZ2 4.35Å; D582-S895 WeakPolarHBondContact OD2-CB 3.26Å; D582-S895 PolarHBondContact OD2-OG 2.94Å; D582-P896 HydrophobicContact CB-CB 4.04Å; D582-P896 HydrophobicContact CB-CG 4.1Å; D582-P896 WeakPolarHBondContact OD2-CD 3.39Å; D582-S897 WeakPolarHBondContact OD1-CB 3.24Å; D582-S897 PolarHBondContact OD1-OG 3.47Å; D582-S897 WeakPolarHBondContact OD2-CB 3.44Å; D582-S897 PolarHBondContact OD2-N 3.42Å; D582-S897 PolarHBondContact OD2-OG 3.22Å
583	V	87.3	Confident	85	Confident	6 Å²	6	27.5 Å²	27.5	4%	0.036	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-35.8	-175	174.3	0	0	0	0	112.7	Q581 I587 V626	Q581-V583 PolarHBondContact O-N 2.9Å; V583-I587 HydrophobicContact CG1-CD1 4.04Å; V583-I587 WeakPolarHBondContact O-CD1 3.29Å; V583-I587 VanDerWaalsContact O-CG1 3.22Å; V583-I587 WeakPolarHBondContact O-CG1 3.21Å; V583-I587 PolarHBondContact O-N 3.43Å; V583-V626 HydrophobicContact CG1-CG2 3.17Å
584	M	88.7	Confident	85.7	Confident	55 Å²	55	26.8 Å²	26.8	27%	0.271	14%	0.144	S	C	.	.	H	α-helix	trans	-73.1	-41.3	-179.1	-64.7	-60.5	-62.7	0	0	110.8	D582 L586 I587 D588 P625	D582-M584 VanDerWaalsContact C-N 3.3Å; D582-M584 PolarHBondContact O-N 3.43Å; D582-M584 WeakPolarHBondContact OD1-CB 3.39Å; D582-M584 PolarHBondContact OD1-N 2.97Å; M584-L586 VanDerWaalsContact C-N 3.35Å; M584-I587 PolarHBondContact O-N 3.29Å; M584-I587 HydrophobicContact SD-CD1 4.49Å; M584-D588 PolarHBondContact O-N 3.44Å; M584-P625 HydrophobicContact SD-CB 3.71Å; M584-P625 HydrophobicContact SD-CG 3.79Å
585	L	88.8	Confident	86.5	Confident	6 Å²	6	26.8 Å²	26.8	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-42.9	172.5	-70.6	-170.6	0	0	0	111.5	L579 D582 I587 D588 D589 P896 K900	L579-L585 HydrophobicContact CD2-CD1 3.89Å; D582-L585 HydrophobicContact CB-CB 4.16Å; D582-L585 HydrophobicContact CB-CD1 4.28Å; D582-L585 HydrophobicContact CB-CG 4.18Å; D582-L585 PolarHBondContact O-N 3Å; D582-L585 PolarHBondContact OD1-N 3.5Å; L585-I587 VanDerWaalsContact C-N 3.31Å; L585-I587 PolarHBondContact O-N 2.76Å; L585-D588 CarbonylContact O-C 3.55Å; L585-D588 WeakPolarHBondContact O-CB 3.36Å; L585-D588 PolarHBondContact O-N 3.31Å; L585-D588 VanDerWaalsContact O-N 3.12Å; L585-D589 WeakPolarHBondContact O-CB 2.99Å; L585-D589 VanDerWaalsContact O-CG 3.32Å; L585-D589 PolarHBondContact O-N 3.34Å; L585-P896 HydrophobicContact CD1-CB 3.3Å; L585-P896 HydrophobicContact CG-CB 4.25Å; L585-K900 HydrophobicContact CD2-CB 4.36Å; L585-K900 HydrophobicContact CD2-CD 3.66Å
586	L	88.7	Confident	87.5	Confident	14 Å²	14	25.9 Å²	25.9	7%	0.073	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-43.3	176.4	177.8	59.1	0	0	0	112	V571 F572 D582 M584 D589 I590	V571-L586 HydrophobicContact CG2-CD1 3.37Å; F572-L586 HydrophobicContact CD1-CD1 4.21Å; F572-L586 HydrophobicContact CE1-CD1 4.14Å; D582-L586 WeakPolarHBondContact O-CB 3.33Å; D582-L586 PolarHBondContact O-N 3.46Å; M584-L586 VanDerWaalsContact C-N 3.35Å; L586-D589 PolarHBondContact O-N 3.46Å; L586-I590 HydrophobicContact CD1-CD1 4.14Å; L586-I590 HydrophobicContact CD1-CG1 4.35Å; L586-I590 HydrophobicContact CG-CD1 4.08Å; L586-I590 WeakPolarHBondContact O-CD1 3.48Å; L586-I590 VanDerWaalsContact O-CG1 3.22Å; L586-I590 WeakPolarHBondContact O-CG1 3.31Å; L586-I590 PolarHBondContact O-N 2.55Å
587	I	90.6	Very high	88.4	Confident	8 Å²	8	23.8 Å²	23.8	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-44.5	175.7	-69.8	163.5	0	0	0	110.9	V583 M584 L585 I590 K591 P625 V626 M629	V583-I587 HydrophobicContact CG1-CD1 4.04Å; V583-I587 WeakPolarHBondContact O-CD1 3.29Å; V583-I587 VanDerWaalsContact O-CG1 3.22Å; V583-I587 WeakPolarHBondContact O-CG1 3.21Å; V583-I587 PolarHBondContact O-N 3.43Å; M584-I587 PolarHBondContact O-N 3.29Å; M584-I587 HydrophobicContact SD-CD1 4.49Å; L585-I587 VanDerWaalsContact C-N 3.31Å; L585-I587 PolarHBondContact O-N 2.76Å; I587-I590 PolarHBondContact O-N 2.72Å; I587-K591 HydrophobicContact CG2-CD 4.29Å; I587-K591 WeakPolarHBondContact O-CG 3.42Å; I587-K591 PolarHBondContact O-N 2.86Å; I587-P625 HydrophobicContact CD1-CB 3.75Å; I587-V626 HydrophobicContact CD1-CG2 4.41Å; I587-M629 HydrophobicContact CB-SD 4.2Å; I587-M629 HydrophobicContact CG1-CB 4.45Å; I587-M629 HydrophobicContact CG1-CE 4.46Å; I587-M629 HydrophobicContact CG1-SD 3.76Å; I587-M629 HydrophobicContact CG2-CG 4.42Å; I587-M629 HydrophobicContact CG2-SD 4.11Å
588	D	89.1	Confident	88.6	Confident	46 Å²	46	26.6 Å²	26.6	25%	0.246	13%	0.132	C	C	.	.	H	α-helix	trans	-62.7	-45.5	176.7	-80	-3.3	0	0	0	111.3	M584 L585 I590 K591 N592 K900	M584-D588 PolarHBondContact O-N 3.44Å; L585-D588 CarbonylContact O-C 3.55Å; L585-D588 WeakPolarHBondContact O-CB 3.36Å; L585-D588 PolarHBondContact O-N 3.31Å; L585-D588 VanDerWaalsContact O-N 3.12Å; D588-I590 VanDerWaalsContact C-N 3.33Å; D588-I590 PolarHBondContact O-N 2.62Å; D588-K591 WeakPolarHBondContact O-CB 3.46Å; D588-K591 PolarHBondContact O-N 3.49Å; D588-N592 WeakPolarHBondContact O-CB 3.43Å; D588-N592 PolarHBondContact O-N 3.3Å; D588-N592 PolarHBondContact O-ND2 3.48Å; D588-K900 IonicContact OD2-NZ 3.7Å; D588-K900 PolarHBondContact OD2-NZ 3.24Å
589	D	88.8	Confident	88.4	Confident	60 Å²	60	32 Å²	32	32%	0.321	16%	0.157	S	C	.	.	H	α-helix	trans	-62.7	-38.4	179	-71.8	-18.9	0	0	0	111.9	V571 L585 L586 N592 A593	V571-D589 HydrophobicContact CB-CB 4.46Å; V571-D589 HydrophobicContact CG2-CB 3.59Å; L585-D589 WeakPolarHBondContact O-CB 2.99Å; L585-D589 VanDerWaalsContact O-CG 3.32Å; L585-D589 PolarHBondContact O-N 3.34Å; L586-D589 PolarHBondContact O-N 3.46Å; D589-N592 PolarHBondContact O-N 2.73Å; D589-A593 VanDerWaalsContact O-CB 3.25Å; D589-A593 WeakPolarHBondContact O-CB 3.46Å; D589-A593 PolarHBondContact O-N 2.88Å
590	I	91.9	Very high	88.2	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-48.6	172.6	-69.9	164.3	0	0	0	110.6	V571 F572 L586 I587 D588 N592 A593 L594 F609 M629 F633	V571-I590 HydrophobicContact CG2-CG1 4.48Å; F572-I590 HydrophobicContact CE1-CD1 3.75Å; F572-I590 HydrophobicContact CE1-CG1 4.22Å; F572-I590 HydrophobicContact CZ-CD1 3.61Å; F572-I590 HydrophobicContact CZ-CG1 3.71Å; L586-I590 HydrophobicContact CD1-CD1 4.14Å; L586-I590 HydrophobicContact CD1-CG1 4.35Å; L586-I590 HydrophobicContact CG-CD1 4.08Å; L586-I590 WeakPolarHBondContact O-CD1 3.48Å; L586-I590 VanDerWaalsContact O-CG1 3.22Å; L586-I590 WeakPolarHBondContact O-CG1 3.31Å; L586-I590 PolarHBondContact O-N 2.55Å; I587-I590 PolarHBondContact O-N 2.72Å; D588-I590 VanDerWaalsContact C-N 3.33Å; D588-I590 PolarHBondContact O-N 2.62Å; I590-N592 VanDerWaalsContact C-N 3.31Å; I590-N592 PolarHBondContact O-N 3.08Å; I590-A593 PolarHBondContact O-N 3.32Å; I590-L594 HydrophobicContact CG2-CD1 4.01Å; I590-L594 VanDerWaalsContact O-CG 3.28Å; I590-L594 WeakPolarHBondContact O-CG 3.34Å; I590-L594 PolarHBondContact O-N 2.77Å; I590-F609 HydrophobicContact CG2-CE1 4.15Å; I590-F609 HydrophobicContact CG2-CZ 4.4Å; I590-M629 HydrophobicContact CB-SD 4.45Å; I590-M629 HydrophobicContact CD1-CE 3.96Å; I590-M629 HydrophobicContact CD1-SD 3.79Å; I590-M629 HydrophobicContact CG2-SD 4.3Å; I590-F633 HydrophobicContact CG2-CE2 4.33Å; I590-F633 HydrophobicContact CG2-CZ 3.83Å
591	K	91.9	Very high	88.3	Confident	75 Å²	75	32 Å²	32	33%	0.326	16%	0.156	S	C	.	.	H	α-helix	trans	-59.2	-44.4	177.9	-71.5	168.9	-176.1	168.8	0	111.2	I587 D588 L594 Q595 I638	I587-K591 HydrophobicContact CG2-CD 4.29Å; I587-K591 WeakPolarHBondContact O-CG 3.42Å; I587-K591 PolarHBondContact O-N 2.86Å; D588-K591 WeakPolarHBondContact O-CB 3.46Å; D588-K591 PolarHBondContact O-N 3.49Å; K591-L594 PolarHBondContact O-N 3.22Å; K591-Q595 WeakPolarHBondContact O-CB 3.44Å; K591-Q595 PolarHBondContact O-N 2.95Å; K591-I638 HydrophobicContact CG-CD1 4.39Å; K591-I638 HydrophobicContact CG-CG1 4.13Å
592	N	88.6	Confident	87.8	Confident	45 Å²	45	33.7 Å²	33.7	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-42.5	178.9	-66.5	-35.3	0	0	0	111.8	D588 D589 I590 L594 Q595 F596 W851	D588-N592 WeakPolarHBondContact O-CB 3.43Å; D588-N592 PolarHBondContact O-N 3.3Å; D588-N592 PolarHBondContact O-ND2 3.48Å; D589-N592 PolarHBondContact O-N 2.73Å; I590-N592 VanDerWaalsContact C-N 3.31Å; I590-N592 PolarHBondContact O-N 3.08Å; N592-L594 VanDerWaalsContact C-N 3.35Å; N592-L594 PolarHBondContact O-N 3.42Å; N592-Q595 PolarHBondContact O-N 3.29Å; N592-F596 VanDerWaalsContact O-CB 3.27Å; N592-F596 WeakPolarHBondContact O-CB 3.35Å; N592-F596 PolarHBondContact O-N 3.32Å; N592-W851 PolarHBondContact ND2-NE1 2.97Å
593	A	89.9	Confident	87.2	Confident	8 Å²	8	34.8 Å²	34.8	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-43.9	176.4	0	0	0	0	0	111.2	D589 I590 F596 I597 F609	D589-A593 VanDerWaalsContact O-CB 3.25Å; D589-A593 WeakPolarHBondContact O-CB 3.46Å; D589-A593 PolarHBondContact O-N 2.88Å; I590-A593 PolarHBondContact O-N 3.32Å; A593-F596 PolarHBondContact O-N 3.08Å; A593-I597 WeakPolarHBondContact O-CB 3.27Å; A593-I597 VanDerWaalsContact O-CD1 3.3Å; A593-I597 WeakPolarHBondContact O-CD1 3.34Å; A593-I597 WeakPolarHBondContact O-CG1 3.3Å; A593-I597 PolarHBondContact O-N 3Å; A593-F609 HydrophobicContact CB-CE2 3.87Å; A593-F609 HydrophobicContact CB-CZ 4.21Å
594	L	92.5	Very high	86.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-41.7	176.5	-67	172.3	0	0	0	112.1	I487 I590 K591 N592 I597 K598 F609 F633 I638 V641 V643	I487-L594 HydrophobicContact CB-CD2 4.47Å; I487-L594 HydrophobicContact CD1-CB 4.16Å; I487-L594 HydrophobicContact CD1-CD2 3.8Å; I487-L594 VanDerWaalsContact CD1-O 3.31Å; I487-L594 WeakPolarHBondContact CD1-O 3.29Å; I487-L594 HydrophobicContact CG2-CD2 3.88Å; I590-L594 HydrophobicContact CG2-CD1 4.01Å; I590-L594 VanDerWaalsContact O-CG 3.28Å; I590-L594 WeakPolarHBondContact O-CG 3.34Å; I590-L594 PolarHBondContact O-N 2.77Å; K591-L594 PolarHBondContact O-N 3.22Å; N592-L594 VanDerWaalsContact C-N 3.35Å; N592-L594 PolarHBondContact O-N 3.42Å; L594-I597 PolarHBondContact O-N 3.48Å; L594-K598 WeakPolarHBondContact O-CB 3.46Å; L594-K598 PolarHBondContact O-N 3.46Å; L594-F609 HydrophobicContact CD2-CB 4.1Å; L594-F609 HydrophobicContact CD2-CD1 4.01Å; L594-F609 HydrophobicContact CD2-CD2 3.91Å; L594-F609 HydrophobicContact CD2-CE1 4.41Å; L594-F609 HydrophobicContact CD2-CE2 4.32Å; L594-F609 HydrophobicContact CD2-CG 3.75Å; L594-F633 HydrophobicContact CD1-CE1 3.88Å; L594-F633 HydrophobicContact CD1-CZ 3.97Å; L594-I638 HydrophobicContact CD1-CD1 4.36Å; L594-I638 HydrophobicContact CD1-CG2 3.42Å; L594-I638 VanDerWaalsContact CD1-CG2 3.42Å; L594-V641 HydrophobicContact CB-CB 4.44Å; L594-V641 HydrophobicContact CB-CG1 4.32Å; L594-V641 HydrophobicContact CB-CG2 4.28Å; L594-V643 HydrophobicContact CD1-CG1 4.47Å
595	Q	90.1	Very high	86.2	Confident	63 Å²	63	39 Å²	39	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-64	-43.3	176.1	-174.8	67.6	12.4	0	0	111.4	K591 N592 K598 Q599 V641	K591-Q595 WeakPolarHBondContact O-CB 3.44Å; K591-Q595 PolarHBondContact O-N 2.95Å; N592-Q595 PolarHBondContact O-N 3.29Å; Q595-K598 WeakPolarHBondContact O-CB 3.44Å; Q595-K598 PolarHBondContact O-N 3.36Å; Q595-Q599 WeakPolarHBondContact O-CG 3.28Å; Q595-Q599 PolarHBondContact O-N 2.95Å; Q595-V641 HydrophobicContact CB-CG2 4.31Å
596	F	87.5	Confident	86.1	Confident	41 Å²	41	42.9 Å²	42.9	18%	0.18	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-46.4	174.9	177.1	-109.1	0	0	0	111.3	N265 C551 I552 N592 A593 K598 Q599 C600	N265-F596 HydrophobicContact CB-CE2 4.26Å; N265-F596 HydrophobicContact CB-CZ 4.04Å; C551-F596 HydrophobicContact CB-CD1 4.38Å; I552-F596 HydrophobicContact CD1-CD1 4.44Å; I552-F596 HydrophobicContact CD1-CE1 3.58Å; I552-F596 HydrophobicContact CD1-CZ 3.85Å; I552-F596 HydrophobicContact CG1-CD1 4.28Å; I552-F596 HydrophobicContact CG1-CE1 3.7Å; I552-F596 HydrophobicContact CG1-CZ 4.47Å; N592-F596 VanDerWaalsContact O-CB 3.27Å; N592-F596 WeakPolarHBondContact O-CB 3.35Å; N592-F596 PolarHBondContact O-N 3.32Å; A593-F596 PolarHBondContact O-N 3.08Å; F596-K598 PolarHBondContact O-N 2.98Å; F596-Q599 PolarHBondContact O-N 2.89Å; F596-C600 HydrophobicContact CE2-CB 4.4Å; F596-C600 WeakPolarHBondContact CE2-SG 3.49Å; F596-C600 HydrophobicContact CZ-CB 4.42Å; F596-C600 VanDerWaalsContact O-CB 3.26Å; F596-C600 WeakPolarHBondContact O-CB 3.36Å; F596-C600 PolarHBondContact O-N 3.28Å
597	I	89.5	Confident	86.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-46.1	175.9	-68	157.9	0	0	0	110.6	I487 C555 A593 L594 Q599 C600 W601 P607 F609	I487-I597 HydrophobicContact CD1-CB 3.92Å; I487-I597 HydrophobicContact CD1-CG2 3.72Å; I487-I597 HydrophobicContact CG1-CG2 4.24Å; C555-I597 HydrophobicContact CB-CD1 4.43Å; C555-I597 WeakPolarHBondContact SG-CD1 3.39Å; A593-I597 WeakPolarHBondContact O-CB 3.27Å; A593-I597 VanDerWaalsContact O-CD1 3.3Å; A593-I597 WeakPolarHBondContact O-CD1 3.34Å; A593-I597 WeakPolarHBondContact O-CG1 3.3Å; A593-I597 PolarHBondContact O-N 3Å; L594-I597 PolarHBondContact O-N 3.48Å; I597-Q599 VanDerWaalsContact C-N 3.26Å; I597-Q599 PolarHBondContact O-N 3.01Å; I597-C600 PolarHBondContact O-N 3.06Å; I597-W601 HydrophobicContact CG2-CB 4.15Å; I597-W601 HydrophobicContact CG2-CE3 4.36Å; I597-W601 WeakPolarHBondContact O-CA 3.29Å; I597-W601 WeakPolarHBondContact O-CB 3.33Å; I597-W601 PolarHBondContact O-N 2.98Å; I597-P607 HydrophobicContact CG2-CB 3.65Å; I597-P607 HydrophobicContact CG2-CG 3.59Å; I597-F609 HydrophobicContact CD1-CD2 3.58Å; I597-F609 HydrophobicContact CD1-CE2 4.02Å
598	K	87.6	Confident	86.6	Confident	70 Å²	70	42.1 Å²	42.1	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-56	-41	177	-179.9	-174.5	178.5	-174.9	0	112.1	L594 Q595 F596 G640 V641	L594-K598 WeakPolarHBondContact O-CB 3.46Å; L594-K598 PolarHBondContact O-N 3.46Å; Q595-K598 WeakPolarHBondContact O-CB 3.44Å; Q595-K598 PolarHBondContact O-N 3.36Å; F596-K598 PolarHBondContact O-N 2.98Å; K598-G640 PolarHBondContact NZ-O 2.9Å; K598-V641 HydrophobicContact CB-CG1 4.2Å; K598-V641 HydrophobicContact CB-CG2 4.45Å; K598-V641 HydrophobicContact CD-CB 4.38Å; K598-V641 HydrophobicContact CD-CG1 4.16Å; K598-V641 HydrophobicContact CD-CG2 3.97Å
599	Q	82.6	Confident	86.9	Confident	112 Å²	112	39.9 Å²	39.9	52%	0.523	19%	0.194	S	C	.	.	H	α-helix	trans	-74.7	-41.9	-179.6	-71.3	173.3	-12	0	0	112.4	Q595 F596 I597 K602	Q595-Q599 WeakPolarHBondContact O-CG 3.28Å; Q595-Q599 PolarHBondContact O-N 2.95Å; F596-Q599 PolarHBondContact O-N 2.89Å; I597-Q599 VanDerWaalsContact C-N 3.26Å; I597-Q599 PolarHBondContact O-N 3.01Å; Q599-K602 VanDerWaalsContact O-CE 3.27Å; Q599-K602 WeakPolarHBondContact O-CE 3.3Å
600	C	82.9	Confident	87.1	Confident	21 Å²	21	37.1 Å²	37.1	14%	0.142	18%	0.18	C	C	.	.	H	α-helix	trans	-99	-16.5	-168	-68.1	0	0	0	0	114.9	N265 I552 F596 I597 K602	N265-C600 VanDerWaalsContact CG-SG 3.53Å; N265-C600 PolarHBondContact OD1-SG 3.43Å; I552-C600 HydrophobicContact CD1-CB 3.58Å; F596-C600 HydrophobicContact CE2-CB 4.4Å; F596-C600 WeakPolarHBondContact CE2-SG 3.49Å; F596-C600 HydrophobicContact CZ-CB 4.42Å; F596-C600 VanDerWaalsContact O-CB 3.26Å; F596-C600 WeakPolarHBondContact O-CB 3.36Å; F596-C600 PolarHBondContact O-N 3.28Å; I597-C600 PolarHBondContact O-N 3.06Å; C600-K602 PolarHBondContact O-N 2.92Å
601	W	84.3	Confident	87.2	Confident	11 Å²	11	37.2 Å²	37.2	4%	0.042	18%	0.18	C	C	.	.			trans	-75.1	116.1	-179.4	-167.9	-88.5	0	0	0	111	I552 C555 K556 I597 M603 G605 P607 F656	I552-W601 HydrophobicContact CG2-CE3 3.93Å; I552-W601 HydrophobicContact CG2-CZ3 4Å; C555-W601 HydrophobicContact CB-CZ3 4.17Å; C555-W601 WeakPolarHBondContact O-CH2 3.36Å; K556-W601 HydrophobicContact CG-CH2 3.88Å; K556-W601 HydrophobicContact CG-CZ3 4.28Å; I597-W601 HydrophobicContact CG2-CB 4.15Å; I597-W601 HydrophobicContact CG2-CE3 4.36Å; I597-W601 WeakPolarHBondContact O-CA 3.29Å; I597-W601 WeakPolarHBondContact O-CB 3.33Å; I597-W601 PolarHBondContact O-N 2.98Å; W601-M603 HydrophobicContact CD2-CE 3.73Å; W601-M603 HydrophobicContact CE3-CE 3.46Å; W601-M603 VanDerWaalsContact CE3-CE 3.46Å; W601-M603 HydrophobicContact CH2-CE 3.36Å; W601-M603 HydrophobicContact CZ2-CB 4.49Å; W601-M603 HydrophobicContact CZ2-CE 3.61Å; W601-M603 HydrophobicContact CZ3-CE 3.26Å; W601-M603 PolarHBondContact NE1-O 2.59Å; W601-G605 PolarHBondContact NE1-O 3.46Å; W601-P607 HydrophobicContact CD2-CB 3.69Å; W601-P607 HydrophobicContact CD2-CG 4.03Å; W601-P607 HydrophobicContact CE3-CB 3.71Å; W601-P607 HydrophobicContact CE3-CG 4.46Å; W601-P607 HydrophobicContact CG-CB 4.3Å; W601-P607 HydrophobicContact CG-CG 4.12Å; W601-P607 HydrophobicContact CH2-CB 3.84Å; W601-P607 HydrophobicContact CZ2-CB 3.84Å; W601-P607 HydrophobicContact CZ3-CB 3.79Å; W601-F656 HydrophobicContact CH2-CB 4.08Å; W601-F656 HydrophobicContact CZ2-CB 3.55Å; W601-F656 HydrophobicContact CZ2-CG 4.19Å
602	K	73.7	Confident	87.2	Confident	62 Å²	62	33.7 Å²	33.7	27%	0.27	17%	0.165	S	C	.	.			trans	-132	12.1	-176.1	-58.7	-63.3	168.4	-167.3	0	112.7	I481 N483 Q599 C600	I481-K602 HydrophobicContact CD1-CB 3.7Å; I481-K602 HydrophobicContact CD1-CD 3.55Å; I481-K602 HydrophobicContact CD1-CG 4.11Å; I481-K602 HydrophobicContact CG2-CD 4.13Å; N483-K602 PolarHBondContact OD1-NZ 3.28Å; Q599-K602 VanDerWaalsContact O-CE 3.27Å; Q599-K602 WeakPolarHBondContact O-CE 3.3Å; C600-K602 PolarHBondContact O-N 2.92Å
603	M	76.1	Confident	87.3	Confident	27 Å²	27	31.9 Å²	31.9	13%	0.133	16%	0.155	C	C	.	.	S	Bend	trans	-89.4	154.1	179.9	-64.3	175.5	-74.8	0	0	111.2	L261 I552 W601 G605 F656	L261-M603 HydrophobicContact CD1-CE 3.61Å; L261-M603 HydrophobicContact CD1-CG 4.4Å; L261-M603 HydrophobicContact CD1-SD 3.51Å; L261-M603 VanDerWaalsContact CD1-SD 3.51Å; I552-M603 HydrophobicContact CG2-CE 3.99Å; W601-M603 HydrophobicContact CD2-CE 3.73Å; W601-M603 HydrophobicContact CE3-CE 3.46Å; W601-M603 VanDerWaalsContact CE3-CE 3.46Å; W601-M603 HydrophobicContact CH2-CE 3.36Å; W601-M603 HydrophobicContact CZ2-CB 4.49Å; W601-M603 HydrophobicContact CZ2-CE 3.61Å; W601-M603 HydrophobicContact CZ3-CE 3.26Å; W601-M603 PolarHBondContact NE1-O 2.59Å; M603-G605 PolarHBondContact O-N 2.74Å; M603-F656 HydrophobicContact CB-CD2 3.75Å; M603-F656 HydrophobicContact CB-CE2 3.85Å; M603-F656 HydrophobicContact CB-CG 4.42Å; M603-F656 HydrophobicContact CG-CE2 4.25Å; M603-F656 HydrophobicContact SD-CD1 4.19Å; M603-F656 HydrophobicContact SD-CD2 4.3Å; M603-F656 HydrophobicContact SD-CE1 3.86Å; M603-F656 HydrophobicContact SD-CE2 4Å; M603-F656 HydrophobicContact SD-CG 4.41Å; M603-F656 HydrophobicContact SD-CZ 3.77Å
604	Q	73.2	Confident	87.2	Confident	117 Å²	117	33.2 Å²	33.2	55%	0.547	16%	0.159	S	C	.	.	S	Bend	trans	-73.3	115.3	176.2	-173.1	-176.5	16.5	0	0	111.5	N477 F656	N477-Q604 WeakPolarHBondContact O-CB 3.43Å; Q604-F656 VanDerWaalsContact O-CD2 3.32Å; Q604-F656 WeakPolarHBondContact O-CD2 3.49Å
605	G	81.9	Confident	86.8	Confident	32 Å²	32	34 Å²	34	33%	0.33	16%	0.162	S	C	.	.	S	Bend	trans	118.1	156.7	-173.3	0	0	0	0	0	110.7	W601 M603	W601-G605 PolarHBondContact NE1-O 3.46Å; M603-G605 PolarHBondContact O-N 2.74Å
606	R	87.8	Confident	86.2	Confident	87 Å²	87	33.7 Å²	33.7	33%	0.328	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-81.7	143.6	-177.4	-57.2	-59.4	-170.2	169.1	0.4	110.6	D484 V486 G654 A655 F656	D484-R606 PolarHBondContact O-NH1 2.83Å; V486-R606 VanDerWaalsContact N-NH1 3.12Å; V486-R606 WeakPolarHBondContact O-CD 3.3Å; R606-G654 PolarHBondContact N-O 2.94Å; R606-A655 VanDerWaalsContact O-CA 3.24Å; R606-A655 WeakPolarHBondContact O-CA 3.48Å; R606-F656 PolarHBondContact O-N 3.39Å; R606-F656 VanDerWaalsContact O-N 3.1Å
607	P	93.3	Very high	85.7	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.159	C	C	.	.			trans	-68.4	141.3	169.8	25.5	-28.7	0	0	0	110.2	I487 H488 C555 I597 W601	I487-P607 HydrophobicContact CB-CG 4.21Å; I487-P607 HydrophobicContact CG1-CG 3.89Å; I487-P607 HydrophobicContact CG2-CB 4.48Å; I487-P607 HydrophobicContact CG2-CG 4.09Å; H488-P607 WeakPolarHBondContact CB-O 3.33Å; H488-P607 PolarHBondContact N-O 2.88Å; C555-P607 HydrophobicContact CB-CB 4.24Å; I597-P607 HydrophobicContact CG2-CB 3.65Å; I597-P607 HydrophobicContact CG2-CG 3.59Å; W601-P607 HydrophobicContact CD2-CB 3.69Å; W601-P607 HydrophobicContact CD2-CG 4.03Å; W601-P607 HydrophobicContact CE3-CB 3.71Å; W601-P607 HydrophobicContact CE3-CG 4.46Å; W601-P607 HydrophobicContact CG-CB 4.3Å; W601-P607 HydrophobicContact CG-CG 4.12Å; W601-P607 HydrophobicContact CH2-CB 3.84Å; W601-P607 HydrophobicContact CZ2-CB 3.84Å; W601-P607 HydrophobicContact CZ3-CB 3.79Å
608	L	94.6	Very high	85	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	105.1	176.3	175.3	67.5	0	0	0	110.1	H488 C555 I557 V566 L648 L651 A655	H488-L608 HydrophobicContact CB-CD1 4.09Å; H488-L608 CarbonylContact O-C 3.59Å; H488-L608 WeakPolarHBondContact O-CA 3.28Å; C555-L608 CarbonylContact C-O 3.57Å; C555-L608 WeakPolarHBondContact CA-O 3.34Å; C555-L608 PolarHBondContact O-N 2.83Å; I557-L608 HydrophobicContact CD1-CD2 4.12Å; I557-L608 HydrophobicContact CG1-CD2 3.78Å; V566-L608 HydrophobicContact CB-CD2 4.48Å; V566-L608 HydrophobicContact CG1-CD2 3.78Å; L608-L648 HydrophobicContact CD1-CD1 4.07Å; L608-L648 HydrophobicContact CD2-CD1 3.51Å; L608-L648 HydrophobicContact CG-CD1 4.32Å; L608-L651 HydrophobicContact CD1-CB 4.04Å; L608-L651 HydrophobicContact CD1-CD1 3.79Å; L608-A655 HydrophobicContact CB-CB 4.21Å
609	F	95.3	Very high	84.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115	179	-168.4	-89.7	0	0	0	110.7	I487 H488 V489 S490 C555 P569 F572 I590 A593 L594 I597 V611	I487-F609 HydrophobicContact CG2-CB 3.88Å; H488-F609 PolarHBondContact O-N 3.3Å; V489-F609 WeakPolarHBondContact CA-O 3.22Å; V489-F609 HydrophobicContact CG2-CB 4.37Å; S490-F609 PolarHBondContact N-O 3.29Å; S490-F609 VanDerWaalsContact N-O 3.11Å; C555-F609 VanDerWaalsContact SG-CD2 3.57Å; P569-F609 HydrophobicContact CB-CE2 4.38Å; P569-F609 HydrophobicContact CG-CD2 3.96Å; P569-F609 HydrophobicContact CG-CE2 3.57Å; P569-F609 HydrophobicContact CG-CZ 3.95Å; F572-F609 AromaticContact CE2-CE1 3.95Å; F572-F609 HydrophobicContact CE2-CE1 3.95Å; F572-F609 HydrophobicContact CE2-CZ 4.07Å; F572-F609 HydrophobicContact CZ-CE1 4.22Å; I590-F609 HydrophobicContact CG2-CE1 4.15Å; I590-F609 HydrophobicContact CG2-CZ 4.4Å; A593-F609 HydrophobicContact CB-CE2 3.87Å; A593-F609 HydrophobicContact CB-CZ 4.21Å; L594-F609 HydrophobicContact CD2-CB 4.1Å; L594-F609 HydrophobicContact CD2-CD1 4.01Å; L594-F609 HydrophobicContact CD2-CD2 3.91Å; L594-F609 HydrophobicContact CD2-CE1 4.41Å; L594-F609 HydrophobicContact CD2-CE2 4.32Å; L594-F609 HydrophobicContact CD2-CG 3.75Å; I597-F609 HydrophobicContact CD1-CD2 3.58Å; I597-F609 HydrophobicContact CD1-CE2 4.02Å; F609-V611 HydrophobicContact CD1-CG2 3.76Å; F609-V611 HydrophobicContact CE1-CG2 3.81Å
610	L	94.9	Very high	83.3	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118	179.2	-162.1	150.3	0	0	0	110.5	V492 I520 V566 P569 F572 L648	V492-L610 HydrophobicContact CB-CD2 4.07Å; V492-L610 HydrophobicContact CG2-CD1 4.16Å; V492-L610 HydrophobicContact CG2-CD2 3.78Å; V492-L610 HydrophobicContact CG2-CG 3.98Å; I520-L610 HydrophobicContact CD1-CD1 4.11Å; I520-L610 HydrophobicContact CG1-CD1 4.07Å; I520-L610 HydrophobicContact CG2-CD1 4.14Å; I520-L610 HydrophobicContact CG2-CD2 4.43Å; V566-L610 HydrophobicContact CB-CD1 4.49Å; V566-L610 HydrophobicContact CG2-CD1 3.7Å; P569-L610 WeakPolarHBondContact CD-O 3.35Å; F572-L610 WeakPolarHBondContact CE2-O 3.24Å; L610-L648 HydrophobicContact CD1-CD2 4.36Å
611	V	94	Very high	82.2	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.5	176.2	-179.4	0	0	0	0	108.5	V489 S490 L491 V492 F572 F609 I613 F633	V489-V611 HydrophobicContact CG1-CG2 3.81Å; S490-V611 PolarHBondContact O-N 3.01Å; L491-V611 HydrophobicContact CD2-CB 3.71Å; L491-V611 HydrophobicContact CD2-CG1 4.13Å; L491-V611 HydrophobicContact CD2-CG2 3.92Å; V492-V611 PolarHBondContact N-O 3.23Å; F572-V611 HydrophobicContact CE1-CG1 4.08Å; F572-V611 HydrophobicContact CZ-CB 4.22Å; F572-V611 HydrophobicContact CZ-CG1 3.88Å; F572-V611 HydrophobicContact CZ-CG2 4.39Å; F609-V611 HydrophobicContact CD1-CG2 3.76Å; F609-V611 HydrophobicContact CE1-CG2 3.81Å; V611-I613 HydrophobicContact CG1-CG1 4.05Å; V611-F633 HydrophobicContact CG2-CE2 4.3Å; V611-F633 HydrophobicContact CG2-CZ 3.98Å
612	L	91.8	Very high	81.5	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.8	173.7	-178.8	62.4	0	0	0	109.8	V492 Y568 F572 R614 F676	V492-L612 HydrophobicContact CB-CD1 4.47Å; V492-L612 HydrophobicContact CG1-CD1 4.24Å; Y568-L612 HydrophobicContact CD1-CD2 4.19Å; Y568-L612 HydrophobicContact CE1-CD2 4.1Å; Y568-L612 HydrophobicContact CG-CD2 4.43Å; F572-L612 HydrophobicContact CB-CB 4.21Å; F572-L612 HydrophobicContact CD1-CB 4.33Å; F572-L612 VanDerWaalsContact CD1-O 3.31Å; F572-L612 WeakPolarHBondContact CD1-O 3.39Å; F572-L612 HydrophobicContact CG-CB 4.23Å; L612-R614 VanDerWaalsContact CD2-NH2 3.28Å; L612-F676 HydrophobicContact CD1-CD1 4.34Å; L612-F676 HydrophobicContact CD1-CE1 3.61Å; L612-F676 HydrophobicContact CD1-CZ 3.91Å; L612-F676 HydrophobicContact CD2-CE1 4.32Å; L612-F676 HydrophobicContact CD2-CE2 4.18Å; L612-F676 HydrophobicContact CD2-CZ 3.97Å
613	I	90.7	Very high	81.8	Confident	7 Å²	7	36.4 Å²	36.4	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.5	-179.6	-48.7	174.7	0	0	0	108.9	V492 E494 L498 L502 T509 V611 I618 L630	V492-I613 PolarHBondContact O-N 2.95Å; E494-I613 PolarHBondContact N-O 3Å; L498-I613 HydrophobicContact CD2-CB 4.36Å; L498-I613 HydrophobicContact CD2-CG2 4.1Å; L498-I613 WeakPolarHBondContact CD2-O 3.44Å; L502-I613 HydrophobicContact CD1-CD1 3.83Å; L502-I613 HydrophobicContact CD1-CG2 4.14Å; T509-I613 HydrophobicContact CG2-CD1 4.1Å; V611-I613 HydrophobicContact CG1-CG1 4.05Å; I613-I618 HydrophobicContact CG2-CD1 3.6Å; I613-L630 HydrophobicContact CD1-CD1 4.13Å; I613-L630 HydrophobicContact CD1-CD2 3.74Å
614	R	86.8	Confident	82.2	Confident	36 Å²	36	40.1 Å²	40.1	14%	0.136	21%	0.211	C	C	.	.			trans	-107.3	154.3	178.2	-52.6	-170.8	178.8	-85.2	4.4	112	E494 L612 D616 N617	E494-R614 VanDerWaalsContact CD-CA 3.46Å; E494-R614 VanDerWaalsContact OE1-CA 3.26Å; E494-R614 WeakPolarHBondContact OE1-CA 3.42Å; E494-R614 WeakPolarHBondContact OE1-CB 3.36Å; E494-R614 WeakPolarHBondContact OE2-CB 3.28Å; E494-R614 VanDerWaalsContact OE2-CG 3.24Å; E494-R614 WeakPolarHBondContact OE2-CG 3.11Å; E494-R614 IonicContact OE2-CZ 3.53Å; E494-R614 IonicContact OE2-NH1 3.58Å; E494-R614 PolarHBondContact OE2-NH1 3.15Å; L612-R614 VanDerWaalsContact CD2-NH2 3.28Å; R614-D616 PolarHBondContact O-N 3.42Å; R614-N617 WeakPolarHBondContact CB-OD1 3.36Å; R614-N617 PolarHBondContact N-OD1 3.09Å; R614-N617 WeakPolarHBondContact O-CB 3.42Å; R614-N617 PolarHBondContact O-N 3.28Å; R614-N617 VanDerWaalsContact O-N 3.14Å
615	E	83.6	Confident	82.9	Confident	15 Å²	15	36.3 Å²	36.3	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-35	178.9	-66.5	-172	161	0	0	111.7	E494 S495 R497 L498 N617 I618 K619	E494-E615 PolarHBondContact OE1-N 3.35Å; S495-E615 PolarHBondContact OG-OE1 3.23Å; R497-E615 IonicContact CZ-OE1 2.63Å; R497-E615 IonicContact CZ-OE2 3.09Å; R497-E615 IonicContact NE-OE1 2.81Å; R497-E615 PolarHBondContact NE-OE1 2.86Å; R497-E615 IonicContact NE-OE2 3.68Å; R497-E615 IonicContact NH2-OE1 3.73Å; R497-E615 PolarHBondContact NH2-OE1 2.83Å; R497-E615 VanDerWaalsContact NH2-OE1 3.13Å; R497-E615 IonicContact NH2-OE2 2.74Å; R497-E615 PolarHBondContact NH2-OE2 2.72Å; L498-E615 HydrophobicContact CB-CG 4.09Å; L498-E615 HydrophobicContact CD2-CG 4.24Å; E615-N617 VanDerWaalsContact C-N 3.29Å; E615-N617 PolarHBondContact O-N 3.18Å; E615-I618 PolarHBondContact O-N 3.33Å; E615-K619 WeakPolarHBondContact O-CG 3.28Å; E615-K619 PolarHBondContact O-N 3.28Å
616	D	77.9	Confident	83.1	Confident	58 Å²	58	35.2 Å²	35.2	31%	0.31	18%	0.183	S	C	.	.	H	α-helix	trans	-70.7	-23.4	179.6	-67.1	-17.2	0	0	0	113	R614 I618 K619 S766	R614-D616 PolarHBondContact O-N 3.42Å; D616-I618 PolarHBondContact O-N 3.41Å; D616-K619 IonicContact OD1-NZ 2.64Å; D616-K619 PolarHBondContact OD1-NZ 3.31Å; D616-S766 WeakPolarHBondContact OD2-CB 3.07Å
617	N	76.6	Confident	83.1	Confident	18 Å²	18	32.2 Å²	32.2	10%	0.096	17%	0.173	C	C	.	.	H	α-helix	trans	-68.3	-22.4	173.6	-55.8	132.3	0	0	0	112	R614 E615	R614-N617 WeakPolarHBondContact CB-OD1 3.36Å; R614-N617 PolarHBondContact N-OD1 3.09Å; R614-N617 WeakPolarHBondContact O-CB 3.42Å; R614-N617 PolarHBondContact O-N 3.28Å; R614-N617 VanDerWaalsContact O-N 3.14Å; E615-N617 VanDerWaalsContact C-N 3.29Å; E615-N617 PolarHBondContact O-N 3.18Å
618	I	76.6	Confident	83	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.097	20%	0.2	C	C	.	.	H	α-helix	trans	-104.6	-8.6	-170	-75.8	164.8	0	0	0	112.7	L498 F501 L502 I613 E615 D616 F623 V626	L498-I618 HydrophobicContact CD1-CD1 3.34Å; L498-I618 HydrophobicContact CG-CD1 4.47Å; F501-I618 HydrophobicContact CD1-CG2 4.08Å; F501-I618 HydrophobicContact CE1-CG2 3.47Å; F501-I618 VanDerWaalsContact CE1-CG2 3.47Å; F501-I618 HydrophobicContact CZ-CG2 4.25Å; L502-I618 HydrophobicContact CD1-CD1 4.39Å; L502-I618 HydrophobicContact CD2-CD1 3.83Å; L502-I618 HydrophobicContact CG-CD1 4.31Å; I613-I618 HydrophobicContact CG2-CD1 3.6Å; E615-I618 PolarHBondContact O-N 3.33Å; D616-I618 PolarHBondContact O-N 3.41Å; I618-F623 HydrophobicContact CB-CD2 4.09Å; I618-F623 HydrophobicContact CB-CE2 4.19Å; I618-F623 HydrophobicContact CG1-CD2 4.06Å; I618-F623 HydrophobicContact CG1-CE2 3.97Å; I618-F623 HydrophobicContact CG2-CD2 3.67Å; I618-F623 HydrophobicContact CG2-CE2 3.51Å; I618-F623 HydrophobicContact CG2-CZ 4.34Å; I618-V626 HydrophobicContact CG1-CG1 4.47Å
619	K	69.1	Low	82.9	Confident	96 Å²	96	37.8 Å²	37.8	42%	0.417	20%	0.203	S	C	.	.	S	Bend	trans	-82.3	133.1	176.2	-68.3	169.3	-168	160.5	0	111.9	E615 D616 K768	E615-K619 WeakPolarHBondContact O-CG 3.28Å; E615-K619 PolarHBondContact O-N 3.28Å; D616-K619 IonicContact OD1-NZ 2.64Å; D616-K619 PolarHBondContact OD1-NZ 3.31Å; K619-K768 PolarHBondContact O-NZ 2.93Å
620	G	65.1	Low	82.7	Confident	26 Å²	26	38 Å²	38	27%	0.268	20%	0.204	S	C	.	.	S	Bend	trans	100.8	-169.1	169.4	0	0	0	0	0	116	R622 F623	G620-R622 VanDerWaalsContact C-N 3.26Å; G620-R622 PolarHBondContact O-N 3.46Å; G620-F623 PolarHBondContact O-N 3.33Å
621	S	59.1	Low	82.5	Confident	105 Å²	105	39.7 Å²	39.7	73%	0.734	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.3	-172.5	54.2	0	0	0	0	115.3
622	R	69	Low	82.5	Confident	84 Å²	84	41.5 Å²	41.5	32%	0.317	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	25.9	-178.9	-54.7	-142.2	-169.1	-152.8	12.3	113.9	G620 P625 D898	G620-R622 VanDerWaalsContact C-N 3.26Å; G620-R622 PolarHBondContact O-N 3.46Å; R622-P625 WeakPolarHBondContact O-CD 3.45Å; R622-D898 IonicContact NH2-OD1 3.55Å; R622-D898 PolarHBondContact NH2-OD1 3.33Å; R622-D898 IonicContact NH2-OD2 3.42Å; R622-D898 PolarHBondContact NH2-OD2 3.05Å
623	F	79.5	Confident	82.5	Confident	26 Å²	26	41.5 Å²	41.5	11%	0.114	23%	0.231	C	C	.	.	H	α-helix	trans	-70.2	-38.1	174.9	176.6	-126.2	0	0	0	113.3	F501 Y505 I618 G620 V626 L627	F501-F623 HydrophobicContact CE1-CE1 4.31Å; F501-F623 AromaticContact CE1-CE2 3.8Å; F501-F623 HydrophobicContact CE1-CE2 3.8Å; F501-F623 AromaticContact CE1-CZ 3.46Å; F501-F623 HydrophobicContact CE1-CZ 3.46Å; F501-F623 VanDerWaalsContact CE1-CZ 3.46Å; F501-F623 HydrophobicContact CZ-CE1 4.07Å; F501-F623 HydrophobicContact CZ-CE2 4.33Å; F501-F623 AromaticContact CZ-CZ 3.66Å; F501-F623 HydrophobicContact CZ-CZ 3.66Å; Y505-F623 HydrophobicContact CD2-CZ 4.34Å; Y505-F623 HydrophobicContact CE1-CE1 4.21Å; Y505-F623 HydrophobicContact CE2-CE1 4.13Å; Y505-F623 AromaticContact CE2-CZ 3.9Å; Y505-F623 HydrophobicContact CE2-CZ 3.9Å; Y505-F623 AromaticContact CZ-CE1 3.75Å; Y505-F623 AromaticContact CZ-CZ 4Å; I618-F623 HydrophobicContact CB-CD2 4.09Å; I618-F623 HydrophobicContact CB-CE2 4.19Å; I618-F623 HydrophobicContact CG1-CD2 4.06Å; I618-F623 HydrophobicContact CG1-CE2 3.97Å; I618-F623 HydrophobicContact CG2-CD2 3.67Å; I618-F623 HydrophobicContact CG2-CE2 3.51Å; I618-F623 HydrophobicContact CG2-CZ 4.34Å; G620-F623 PolarHBondContact O-N 3.33Å; F623-V626 WeakPolarHBondContact O-CB 3.25Å; F623-V626 PolarHBondContact O-N 3.36Å; F623-V626 VanDerWaalsContact O-N 3.09Å; F623-L627 HydrophobicContact CD1-CD1 3.84Å; F623-L627 HydrophobicContact CD1-CG 4.28Å; F623-L627 HydrophobicContact CD2-CG 4.24Å; F623-L627 HydrophobicContact CE1-CD1 3.28Å; F623-L627 HydrophobicContact CE1-CD2 4.29Å; F623-L627 HydrophobicContact CE1-CG 3.79Å; F623-L627 HydrophobicContact CE2-CD1 4.17Å; F623-L627 HydrophobicContact CE2-CD2 3.87Å; F623-L627 HydrophobicContact CE2-CG 3.71Å; F623-L627 HydrophobicContact CZ-CD1 3.47Å; F623-L627 VanDerWaalsContact CZ-CD1 3.47Å; F623-L627 HydrophobicContact CZ-CD2 3.57Å; F623-L627 HydrophobicContact CZ-CG 3.48Å; F623-L627 VanDerWaalsContact CZ-CG 3.48Å; F623-L627 PolarHBondContact O-N 3.41Å; F623-L627 VanDerWaalsContact O-N 3.08Å
624	N	84.8	Confident	82.5	Confident	105 Å²	105	48.3 Å²	48.3	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-57.5	-46.8	-179.1	-67.9	-13.4	0	0	0	113.1	V626 L627 D628	N624-V626 VanDerWaalsContact C-N 3.26Å; N624-V626 PolarHBondContact O-N 2.97Å; N624-L627 WeakPolarHBondContact O-CB 3.25Å; N624-L627 PolarHBondContact O-N 2.65Å; N624-L627 VanDerWaalsContact O-N 3.11Å; N624-D628 PolarHBondContact O-N 2.64Å
625	P	87.4	Confident	82.7	Confident	36 Å²	36	54.9 Å²	54.9	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-36.1	173.6	-28.9	34	0	0	0	115	M584 I587 R622 D628 M629	M584-P625 HydrophobicContact SD-CB 3.71Å; M584-P625 HydrophobicContact SD-CG 3.79Å; I587-P625 HydrophobicContact CD1-CB 3.75Å; R622-P625 WeakPolarHBondContact O-CD 3.45Å; P625-D628 PolarHBondContact O-N 3.38Å; P625-M629 PolarHBondContact O-N 3.3Å
626	V	87.8	Confident	83.1	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-44.8	176.9	-179.4	0	0	0	0	110.4	V583 I587 I618 F623 N624 D628 M629 L630	V583-V626 HydrophobicContact CG1-CG2 3.17Å; I587-V626 HydrophobicContact CD1-CG2 4.41Å; I618-V626 HydrophobicContact CG1-CG1 4.47Å; F623-V626 WeakPolarHBondContact O-CB 3.25Å; F623-V626 PolarHBondContact O-N 3.36Å; F623-V626 VanDerWaalsContact O-N 3.09Å; N624-V626 VanDerWaalsContact C-N 3.26Å; N624-V626 PolarHBondContact O-N 2.97Å; V626-D628 VanDerWaalsContact C-N 3.3Å; V626-D628 PolarHBondContact O-N 2.97Å; V626-M629 WeakPolarHBondContact O-CB 3.45Å; V626-M629 PolarHBondContact O-N 3.28Å; V626-L630 HydrophobicContact CG1-CD1 3.9Å; V626-L630 HydrophobicContact CG1-CG 4.35Å; V626-L630 VanDerWaalsContact O-CG 3.29Å; V626-L630 WeakPolarHBondContact O-CG 3.47Å; V626-L630 PolarHBondContact O-N 3.45Å
627	L	88.1	Confident	83.8	Confident	25 Å²	25	56 Å²	56	13%	0.131	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-42.1	174.8	-75.6	-178.6	0	0	0	111.7	Y505 I507 F623 N624 M629 L630 A631	Y505-L627 HydrophobicContact CD1-CD1 3.81Å; Y505-L627 HydrophobicContact CD1-CD2 4.17Å; Y505-L627 HydrophobicContact CD2-CD2 4.39Å; Y505-L627 HydrophobicContact CE1-CD1 3.84Å; Y505-L627 HydrophobicContact CG-CD1 4.41Å; Y505-L627 HydrophobicContact CG-CD2 3.95Å; I507-L627 HydrophobicContact CD1-CD2 3.61Å; F623-L627 HydrophobicContact CD1-CD1 3.84Å; F623-L627 HydrophobicContact CD1-CG 4.28Å; F623-L627 HydrophobicContact CD2-CG 4.24Å; F623-L627 HydrophobicContact CE1-CD1 3.28Å; F623-L627 HydrophobicContact CE1-CD2 4.29Å; F623-L627 HydrophobicContact CE1-CG 3.79Å; F623-L627 HydrophobicContact CE2-CD1 4.17Å; F623-L627 HydrophobicContact CE2-CD2 3.87Å; F623-L627 HydrophobicContact CE2-CG 3.71Å; F623-L627 HydrophobicContact CZ-CD1 3.47Å; F623-L627 VanDerWaalsContact CZ-CD1 3.47Å; F623-L627 HydrophobicContact CZ-CD2 3.57Å; F623-L627 HydrophobicContact CZ-CG 3.48Å; F623-L627 VanDerWaalsContact CZ-CG 3.48Å; F623-L627 PolarHBondContact O-N 3.41Å; F623-L627 VanDerWaalsContact O-N 3.08Å; N624-L627 WeakPolarHBondContact O-CB 3.25Å; N624-L627 PolarHBondContact O-N 2.65Å; N624-L627 VanDerWaalsContact O-N 3.11Å; L627-M629 VanDerWaalsContact C-N 3.34Å; L627-M629 PolarHBondContact O-N 3.46Å; L627-L630 PolarHBondContact O-N 3.36Å; L627-A631 VanDerWaalsContact O-CB 3.28Å; L627-A631 WeakPolarHBondContact O-CB 3.24Å; L627-A631 PolarHBondContact O-N 3.18Å
628	D	90.3	Very high	84.5	Confident	107 Å²	107	55.3 Å²	55.3	57%	0.572	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-43.5	176.8	-69.7	-27.7	0	0	0	111.1	N624 P625 V626 A631 S632	N624-D628 PolarHBondContact O-N 2.64Å; P625-D628 PolarHBondContact O-N 3.38Å; V626-D628 VanDerWaalsContact C-N 3.3Å; V626-D628 PolarHBondContact O-N 2.97Å; D628-A631 PolarHBondContact O-N 3.35Å; D628-S632 PolarHBondContact O-N 3.01Å; D628-S632 PolarHBondContact O-OG 2.87Å
629	M	92.4	Very high	84.9	Confident	16 Å²	16	57 Å²	57	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-47.6	174.2	-174.4	-169.7	65.7	0	0	111.9	I587 I590 P625 V626 L627 A631 S632 F633 I638	I587-M629 HydrophobicContact CB-SD 4.2Å; I587-M629 HydrophobicContact CG1-CB 4.45Å; I587-M629 HydrophobicContact CG1-CE 4.46Å; I587-M629 HydrophobicContact CG1-SD 3.76Å; I587-M629 HydrophobicContact CG2-CG 4.42Å; I587-M629 HydrophobicContact CG2-SD 4.11Å; I590-M629 HydrophobicContact CB-SD 4.45Å; I590-M629 HydrophobicContact CD1-CE 3.96Å; I590-M629 HydrophobicContact CD1-SD 3.79Å; I590-M629 HydrophobicContact CG2-SD 4.3Å; P625-M629 PolarHBondContact O-N 3.3Å; V626-M629 WeakPolarHBondContact O-CB 3.45Å; V626-M629 PolarHBondContact O-N 3.28Å; L627-M629 VanDerWaalsContact C-N 3.34Å; L627-M629 PolarHBondContact O-N 3.46Å; M629-A631 VanDerWaalsContact C-N 3.31Å; M629-A631 PolarHBondContact O-N 3.37Å; M629-S632 WeakPolarHBondContact O-CB 3.42Å; M629-S632 PolarHBondContact O-N 2.81Å; M629-S632 VanDerWaalsContact O-N 3.16Å; M629-F633 HydrophobicContact CE-CE2 4.16Å; M629-F633 HydrophobicContact CG-CD2 4.16Å; M629-F633 HydrophobicContact CG-CE2 3.87Å; M629-F633 VanDerWaalsContact O-CD2 3.29Å; M629-F633 WeakPolarHBondContact O-CD2 3.23Å; M629-F633 PolarHBondContact O-N 2.66Å; M629-F633 HydrophobicContact SD-CE2 4.07Å; M629-I638 HydrophobicContact CG-CD1 3.57Å; M629-I638 HydrophobicContact SD-CD1 4.39Å
630	L	91.9	Very high	85.7	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-34.3	178.9	-66.1	172.1	0	0	0	111.9	L491 L502 I507 I613 V626 L627 F633 K634	L491-L630 HydrophobicContact CD1-CD2 4.28Å; L491-L630 HydrophobicContact CD2-CD2 4.31Å; L502-L630 HydrophobicContact CD2-CD1 4.03Å; I507-L630 HydrophobicContact CD1-CB 3.64Å; I507-L630 HydrophobicContact CD1-CD1 3.78Å; I507-L630 HydrophobicContact CD1-CG 4.34Å; I507-L630 HydrophobicContact CG1-CB 4.23Å; I507-L630 HydrophobicContact CG2-CB 4.36Å; I507-L630 HydrophobicContact CG2-CD1 4.41Å; I613-L630 HydrophobicContact CD1-CD1 4.13Å; I613-L630 HydrophobicContact CD1-CD2 3.74Å; V626-L630 HydrophobicContact CG1-CD1 3.9Å; V626-L630 HydrophobicContact CG1-CG 4.35Å; V626-L630 VanDerWaalsContact O-CG 3.29Å; V626-L630 WeakPolarHBondContact O-CG 3.47Å; V626-L630 PolarHBondContact O-N 3.45Å; L627-L630 PolarHBondContact O-N 3.36Å; L630-F633 HydrophobicContact CD2-CD2 4.41Å; L630-F633 WeakPolarHBondContact O-CB 3.46Å; L630-F633 PolarHBondContact O-N 3.09Å; L630-K634 PolarHBondContact O-N 3.08Å; L630-K634 VanDerWaalsContact O-N 3.14Å
631	A	90.6	Very high	87	Confident	39 Å²	39	53.6 Å²	53.6	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-39.3	171.7	0	0	0	0	0	111.7	L627 D628 M629 K634 K635	L627-A631 VanDerWaalsContact O-CB 3.28Å; L627-A631 WeakPolarHBondContact O-CB 3.24Å; L627-A631 PolarHBondContact O-N 3.18Å; D628-A631 PolarHBondContact O-N 3.35Å; M629-A631 VanDerWaalsContact C-N 3.31Å; M629-A631 PolarHBondContact O-N 3.37Å; A631-K634 PolarHBondContact O-N 2.98Å; A631-K635 WeakPolarHBondContact O-CG 3.39Å; A631-K635 PolarHBondContact O-N 2.8Å
632	S	92.9	Very high	88.7	Confident	39 Å²	39	52.9 Å²	52.9	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-41.1	172.6	-78.6	0	0	0	0	112.5	D628 M629 K634 K635 G636 V637	D628-S632 PolarHBondContact O-N 3.01Å; D628-S632 PolarHBondContact O-OG 2.87Å; M629-S632 WeakPolarHBondContact O-CB 3.42Å; M629-S632 PolarHBondContact O-N 2.81Å; M629-S632 VanDerWaalsContact O-N 3.16Å; S632-K634 VanDerWaalsContact C-N 3.34Å; S632-K634 PolarHBondContact O-N 3.24Å; S632-K635 PolarHBondContact O-N 2.95Å; S632-G636 PolarHBondContact O-N 3.2Å; S632-V637 WeakPolarHBondContact CB-O 3.24Å; S632-V637 PolarHBondContact O-N 3.49Å; S632-V637 VanDerWaalsContact O-O 3.13Å
633	F	93	Very high	89.9	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-56	-48.8	171.2	-84.4	-63.5	0	0	0	111.3	V489 I590 L594 V611 M629 L630 K635 G636 I638 V643 V645	V489-F633 HydrophobicContact CB-CD1 4.32Å; V489-F633 HydrophobicContact CB-CE1 4.35Å; V489-F633 HydrophobicContact CG1-CD1 3.82Å; V489-F633 HydrophobicContact CG1-CE1 3.75Å; V489-F633 HydrophobicContact CG1-CZ 4.46Å; V489-F633 HydrophobicContact CG2-CD1 4.13Å; V489-F633 HydrophobicContact CG2-CE1 3.86Å; I590-F633 HydrophobicContact CG2-CE2 4.33Å; I590-F633 HydrophobicContact CG2-CZ 3.83Å; L594-F633 HydrophobicContact CD1-CE1 3.88Å; L594-F633 HydrophobicContact CD1-CZ 3.97Å; V611-F633 HydrophobicContact CG2-CE2 4.3Å; V611-F633 HydrophobicContact CG2-CZ 3.98Å; M629-F633 HydrophobicContact CE-CE2 4.16Å; M629-F633 HydrophobicContact CG-CD2 4.16Å; M629-F633 HydrophobicContact CG-CE2 3.87Å; M629-F633 VanDerWaalsContact O-CD2 3.29Å; M629-F633 WeakPolarHBondContact O-CD2 3.23Å; M629-F633 PolarHBondContact O-N 2.66Å; M629-F633 HydrophobicContact SD-CE2 4.07Å; L630-F633 HydrophobicContact CD2-CD2 4.41Å; L630-F633 WeakPolarHBondContact O-CB 3.46Å; L630-F633 PolarHBondContact O-N 3.09Å; F633-K635 VanDerWaalsContact C-N 3.32Å; F633-K635 PolarHBondContact O-N 3.05Å; F633-G636 PolarHBondContact O-N 2.6Å; F633-I638 HydrophobicContact CD1-CG2 4.31Å; F633-I638 HydrophobicContact CD2-CD1 4.07Å; F633-I638 HydrophobicContact CE1-CD1 4.12Å; F633-I638 HydrophobicContact CE1-CG2 4.01Å; F633-I638 HydrophobicContact CE2-CD1 3.61Å; F633-I638 HydrophobicContact CZ-CD1 3.64Å; F633-V643 HydrophobicContact CD1-CG2 4.01Å; F633-V645 HydrophobicContact CB-CG2 3.82Å; F633-V645 HydrophobicContact CD1-CG2 4.2Å; F633-V645 HydrophobicContact CG-CG2 4.46Å; F633-V645 VanDerWaalsContact O-CG2 3.23Å; F633-V645 WeakPolarHBondContact O-CG2 3.43Å
634	K	89.5	Confident	90.6	Very high	151 Å²	151	52 Å²	52	66%	0.657	30%	0.298	S	S	*	.	H	α-helix	trans	-64.1	-33.1	177.8	-171.6	176.9	-179	175.5	0	113.6	G506 L630 A631 S632 G636	G506-K634 PolarHBondContact O-NZ 3.49Å; L630-K634 PolarHBondContact O-N 3.08Å; L630-K634 VanDerWaalsContact O-N 3.14Å; A631-K634 PolarHBondContact O-N 2.98Å; S632-K634 VanDerWaalsContact C-N 3.34Å; S632-K634 PolarHBondContact O-N 3.24Å; K634-G636 PolarHBondContact O-N 3.15Å
635	K	91.3	Very high	91.1	Very high	173 Å²	173	49 Å²	49	75%	0.752	28%	0.284	S	S	*	.	H	α-helix	trans	-70.4	-12.9	173.8	-72.5	173.9	-177.8	176.8	0	113.1	A631 S632 F633	A631-K635 WeakPolarHBondContact O-CG 3.39Å; A631-K635 PolarHBondContact O-N 2.8Å; S632-K635 PolarHBondContact O-N 2.95Å; F633-K635 VanDerWaalsContact C-N 3.32Å; F633-K635 PolarHBondContact O-N 3.05Å
636	G	91.9	Very high	91.4	Very high	22 Å²	22	50.2 Å²	50.2	23%	0.227	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	7.1	177.8	0	0	0	0	0	115	S632 F633 K634 K642 V643	S632-G636 PolarHBondContact O-N 3.2Å; F633-G636 PolarHBondContact O-N 2.6Å; K634-G636 PolarHBondContact O-N 3.15Å; G636-K642 WeakPolarHBondContact O-CA 3.39Å; G636-V643 CarbonylContact C-O 3.58Å; G636-V643 VanDerWaalsContact CA-O 3.26Å; G636-V643 WeakPolarHBondContact CA-O 3.28Å; G636-V643 PolarHBondContact O-N 3.46Å
637	V	92.4	Very high	91.7	Very high	75 Å²	75	57 Å²	57	46%	0.455	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	127.3	176	-176.8	0	0	0	0	110.8	S632 V641	S632-V637 WeakPolarHBondContact CB-O 3.24Å; S632-V637 PolarHBondContact O-N 3.49Å; S632-V637 VanDerWaalsContact O-O 3.13Å; V637-V641 WeakPolarHBondContact CA-O 3.43Å
638	I	92.2	Very high	91.9	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	126.4	176.1	-177.4	170.9	0	0	0	109.6	K591 L594 M629 F633 G640 V641 V643	K591-I638 HydrophobicContact CG-CD1 4.39Å; K591-I638 HydrophobicContact CG-CG1 4.13Å; L594-I638 HydrophobicContact CD1-CD1 4.36Å; L594-I638 HydrophobicContact CD1-CG2 3.42Å; L594-I638 VanDerWaalsContact CD1-CG2 3.42Å; M629-I638 HydrophobicContact CG-CD1 3.57Å; M629-I638 HydrophobicContact SD-CD1 4.39Å; F633-I638 HydrophobicContact CD1-CG2 4.31Å; F633-I638 HydrophobicContact CD2-CD1 4.07Å; F633-I638 HydrophobicContact CE1-CD1 4.12Å; F633-I638 HydrophobicContact CE1-CG2 4.01Å; F633-I638 HydrophobicContact CE2-CD1 3.61Å; F633-I638 HydrophobicContact CZ-CD1 3.64Å; I638-G640 PolarHBondContact O-N 2.99Å; I638-G640 VanDerWaalsContact O-N 3.1Å; I638-V641 PolarHBondContact N-O 3.01Å; I638-V641 WeakPolarHBondContact O-CB 3.33Å; I638-V641 PolarHBondContact O-N 3.15Å; I638-V643 HydrophobicContact CG2-CG1 3.66Å; I638-V643 HydrophobicContact CG2-CG2 4.12Å
639	G	83.6	Confident	91.9	Very high	54 Å²	54	54.3 Å²	54.3	56%	0.557	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	28	179.2	0	0	0	0	0	114.8	V641	G639-V641 VanDerWaalsContact C-N 3.3Å; G639-V641 PolarHBondContact O-N 2.95Å
640	G	87.3	Confident	91.9	Very high	51 Å²	51	56.9 Å²	56.9	53%	0.526	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	7.6	-174.9	0	0	0	0	0	115	K598 I638	K598-G640 PolarHBondContact NZ-O 2.9Å; I638-G640 PolarHBondContact O-N 2.99Å; I638-G640 VanDerWaalsContact O-N 3.1Å
641	V	91.9	Very high	91.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.8	176.1	-175.6	0	0	0	0	109.7	I487 L594 Q595 K598 V637 I638 G639 V643	I487-V641 HydrophobicContact CD1-CG1 3.61Å; I487-V641 HydrophobicContact CG1-CG1 4.09Å; L594-V641 HydrophobicContact CB-CB 4.44Å; L594-V641 HydrophobicContact CB-CG1 4.32Å; L594-V641 HydrophobicContact CB-CG2 4.28Å; Q595-V641 HydrophobicContact CB-CG2 4.31Å; K598-V641 HydrophobicContact CB-CG1 4.2Å; K598-V641 HydrophobicContact CB-CG2 4.45Å; K598-V641 HydrophobicContact CD-CB 4.38Å; K598-V641 HydrophobicContact CD-CG1 4.16Å; K598-V641 HydrophobicContact CD-CG2 3.97Å; V637-V641 WeakPolarHBondContact CA-O 3.43Å; I638-V641 PolarHBondContact N-O 3.01Å; I638-V641 WeakPolarHBondContact O-CB 3.33Å; I638-V641 PolarHBondContact O-N 3.15Å; G639-V641 VanDerWaalsContact C-N 3.3Å; G639-V641 PolarHBondContact O-N 2.95Å; V641-V643 HydrophobicContact CG1-CG1 4.37Å
642	K	94	Very high	91.7	Very high	91 Å²	91	56.8 Å²	56.8	40%	0.396	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.4	174.2	-65.5	-177.6	-173.2	168.2	0	109.6	D484 V486 I487 G636	D484-K642 WeakPolarHBondContact OD1-CD 3.48Å; D484-K642 WeakPolarHBondContact OD1-CE 3.39Å; D484-K642 IonicContact OD1-NZ 3.12Å; D484-K642 PolarHBondContact OD1-NZ 3.45Å; D484-K642 IonicContact OD2-NZ 3.39Å; D484-K642 PolarHBondContact OD2-NZ 3.27Å; V486-K642 HydrophobicContact CG2-CB 4.27Å; I487-K642 PolarHBondContact N-O 3.5Å; G636-K642 WeakPolarHBondContact O-CA 3.39Å
643	V	94.9	Very high	91.3	Very high	8 Å²	8	60.6 Å²	60.6	5%	0.048	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.6	-178.1	-62.5	0	0	0	0	110.5	I487 V489 L594 F633 G636 I638 V641	I487-V643 HydrophobicContact CB-CG1 4.32Å; I487-V643 CarbonylContact O-C 3.56Å; I487-V643 VanDerWaalsContact O-CA 3.28Å; I487-V643 WeakPolarHBondContact O-CA 3.42Å; V489-V643 HydrophobicContact CG2-CB 3.95Å; V489-V643 HydrophobicContact CG2-CG1 4.05Å; L594-V643 HydrophobicContact CD1-CG1 4.47Å; F633-V643 HydrophobicContact CD1-CG2 4.01Å; G636-V643 CarbonylContact C-O 3.58Å; G636-V643 VanDerWaalsContact CA-O 3.26Å; G636-V643 WeakPolarHBondContact CA-O 3.28Å; G636-V643 PolarHBondContact O-N 3.46Å; I638-V643 HydrophobicContact CG2-CG1 3.66Å; I638-V643 HydrophobicContact CG2-CG2 4.12Å; V641-V643 HydrophobicContact CG1-CG1 4.37Å
644	H	94.5	Very high	90.9	Very high	82 Å²	82	62 Å²	62	38%	0.38	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.2	172.3	175.6	59.6	0	0	0	108.6	V486 I487 H488 V489 D646 L651	V486-H644 HydrophobicContact CG1-CB 3.7Å; I487-H644 PolarHBondContact O-N 2.9Å; H488-H644 CarbonylContact C-O 3.55Å; H488-H644 WeakPolarHBondContact CA-O 3.29Å; V489-H644 PolarHBondContact N-O 3.06Å; H644-D646 IonicContact NE2-OD2 3.96Å; H644-L651 VanDerWaalsContact CD2-CD2 3.5Å; H644-L651 WeakPolarHBondContact CD2-CD2 3.31Å
645	V	95.1	Very high	90.8	Very high	43 Å²	43	55.2 Å²	55.2	26%	0.261	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.6	-177.9	-175.6	0	0	0	0	109.2	V489 L491 F633	V489-V645 HydrophobicContact CB-CG2 4.06Å; V489-V645 HydrophobicContact CG1-CG2 4.36Å; V489-V645 WeakPolarHBondContact O-CA 3.27Å; L491-V645 HydrophobicContact CD1-CG1 4.09Å; L491-V645 HydrophobicContact CG-CG1 4.01Å; F633-V645 HydrophobicContact CB-CG2 3.82Å; F633-V645 HydrophobicContact CD1-CG2 4.2Å; F633-V645 HydrophobicContact CG-CG2 4.46Å; F633-V645 VanDerWaalsContact O-CG2 3.23Å; F633-V645 WeakPolarHBondContact O-CG2 3.43Å
646	D	94.4	Very high	90.6	Very high	61 Å²	61	48.1 Å²	48.1	33%	0.326	29%	0.29	S	S	.	.			trans	-155.3	179.6	174.9	-151.6	-29	0	0	0	109.9	V489 H644 L651	V489-D646 PolarHBondContact O-N 3.5Å; H644-D646 IonicContact NE2-OD2 3.96Å; D646-L651 HydrophobicContact CB-CD1 4.41Å; D646-L651 HydrophobicContact CB-CD2 3.72Å; D646-L651 HydrophobicContact CB-CG 4Å; D646-L651 WeakPolarHBondContact O-CD1 3.05Å
647	R	93.2	Very high	90.5	Very high	151 Å²	151	49.9 Å²	49.9	57%	0.57	30%	0.296	S	S	*	.			trans	-64	143	171.2	-61.8	-178.2	-178.6	-171.4	-0.6	110.5	Q510 Q649 T650 L651	Q510-R647 VanDerWaalsContact OE1-CA 3.26Å; R647-Q649 PolarHBondContact O-N 3.22Å; R647-T650 WeakPolarHBondContact O-CB 3.26Å; R647-T650 PolarHBondContact O-N 3.05Å; R647-T650 PolarHBondContact O-OG1 3.06Å; R647-L651 WeakPolarHBondContact O-CG 3.31Å; R647-L651 PolarHBondContact O-N 3.49Å
648	L	92.1	Very high	90.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-38.1	-177.2	-174.6	50.2	0	0	0	112.6	V515 I518 V566 L608 L610 T650 L651 I652	V515-L648 HydrophobicContact CB-CD2 4.47Å; V515-L648 HydrophobicContact CG1-CD2 3.34Å; V515-L648 HydrophobicContact CG1-CG 4.32Å; V515-L648 HydrophobicContact CG2-CD2 4.28Å; I518-L648 HydrophobicContact CD1-CD2 4.45Å; I518-L648 HydrophobicContact CD1-CG 4Å; I518-L648 HydrophobicContact CG2-CD2 4.16Å; V566-L648 HydrophobicContact CG1-CD1 4.39Å; V566-L648 HydrophobicContact CG2-CD2 3.8Å; L608-L648 HydrophobicContact CD1-CD1 4.07Å; L608-L648 HydrophobicContact CD2-CD1 3.51Å; L608-L648 HydrophobicContact CG-CD1 4.32Å; L610-L648 HydrophobicContact CD1-CD2 4.36Å; L648-T650 VanDerWaalsContact C-N 3.28Å; L648-T650 PolarHBondContact O-N 3.04Å; L648-L651 PolarHBondContact O-N 3.44Å; L648-I652 WeakPolarHBondContact O-CG1 3.34Å; L648-I652 PolarHBondContact O-N 2.73Å
649	Q	91.5	Very high	90	Very high	76 Å²	76	51.5 Å²	51.5	36%	0.355	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-33.3	177.3	-63.1	87.2	-7.5	0	0	113.1	Q514 I518 R647	Q514-Q649 PolarHBondContact O-NE2 2.84Å; I518-Q649 HydrophobicContact CD1-CG 4.09Å; R647-Q649 PolarHBondContact O-N 3.22Å
650	T	91.4	Very high	90.2	Very high	71 Å²	71	49 Å²	49	44%	0.436	27%	0.273	S	S	.	.	H	α-helix	trans	-74.9	-37.6	178.9	-35.4	0	0	0	0	111.2	R647 L648 I652 S653	R647-T650 WeakPolarHBondContact O-CB 3.26Å; R647-T650 PolarHBondContact O-N 3.05Å; R647-T650 PolarHBondContact O-OG1 3.06Å; L648-T650 VanDerWaalsContact C-N 3.28Å; L648-T650 PolarHBondContact O-N 3.04Å; T650-I652 VanDerWaalsContact C-N 3.32Å; T650-I652 PolarHBondContact O-N 2.94Å; T650-S653 PolarHBondContact O-OG 3.49Å
651	L	91.6	Very high	89.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-74.7	-17.8	-173.2	-62.8	174.2	0	0	0	114	H488 V489 L608 H644 D646 R647 L648 S653 G654 A655	H488-L651 HydrophobicContact CB-CB 4.41Å; H488-L651 HydrophobicContact CB-CD1 4.21Å; H488-L651 HydrophobicContact CB-CD2 3.97Å; H488-L651 HydrophobicContact CB-CG 4.42Å; H488-L651 PolarHBondContact ND1-O 2.63Å; V489-L651 WeakPolarHBondContact O-CD1 3.32Å; L608-L651 HydrophobicContact CD1-CB 4.04Å; L608-L651 HydrophobicContact CD1-CD1 3.79Å; H644-L651 VanDerWaalsContact CD2-CD2 3.5Å; H644-L651 WeakPolarHBondContact CD2-CD2 3.31Å; D646-L651 HydrophobicContact CB-CD1 4.41Å; D646-L651 HydrophobicContact CB-CD2 3.72Å; D646-L651 HydrophobicContact CB-CG 4Å; D646-L651 WeakPolarHBondContact O-CD1 3.05Å; R647-L651 WeakPolarHBondContact O-CG 3.31Å; R647-L651 PolarHBondContact O-N 3.49Å; L648-L651 PolarHBondContact O-N 3.44Å; L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 3.21Å; L651-G654 PolarHBondContact O-N 3.33Å; L651-A655 WeakPolarHBondContact O-CB 3.41Å; L651-A655 PolarHBondContact O-N 3.45Å
652	I	86.4	Confident	89.5	Confident	37 Å²	37	49.1 Å²	49.1	19%	0.19	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.6	-41.8	-176.9	-71.1	167.1	0	0	0	112.5	I518 I557 L648 T650 G654 A655	I518-I652 HydrophobicContact CD1-CD1 3.29Å; I518-I652 HydrophobicContact CD1-CG1 4.36Å; I518-I652 HydrophobicContact CG1-CD1 3.88Å; I557-I652 HydrophobicContact CD1-CB 4.11Å; I557-I652 HydrophobicContact CD1-CG1 3.9Å; I557-I652 HydrophobicContact CD1-CG2 4.07Å; L648-I652 WeakPolarHBondContact O-CG1 3.34Å; L648-I652 PolarHBondContact O-N 2.73Å; T650-I652 VanDerWaalsContact C-N 3.32Å; T650-I652 PolarHBondContact O-N 2.94Å; I652-G654 PolarHBondContact O-N 3.28Å; I652-A655 PolarHBondContact O-N 3.28Å
653	S	85.1	Confident	88.9	Confident	120 Å²	120	45 Å²	45	84%	0.839	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-65.7	-26.6	-171.4	58.3	0	0	0	0	113.5	T650 L651	T650-S653 PolarHBondContact O-OG 3.49Å; L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 3.21Å
654	G	84.4	Confident	87.8	Confident	30 Å²	30	51.5 Å²	51.5	31%	0.309	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-102.3	-5.1	177.9	0	0	0	0	0	114.9	R606 L651 I652	R606-G654 PolarHBondContact N-O 2.94Å; L651-G654 PolarHBondContact O-N 3.33Å; I652-G654 PolarHBondContact O-N 3.28Å
655	A	87.9	Confident	86.3	Confident	10 Å²	10	52.4 Å²	52.4	8%	0.083	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-90.6	155	-174.9	0	0	0	0	0	113	I557 R606 L608 L651 I652	I557-A655 HydrophobicContact CD1-CB 3.51Å; I557-A655 HydrophobicContact CG1-CB 4.14Å; R606-A655 VanDerWaalsContact O-CA 3.24Å; R606-A655 WeakPolarHBondContact O-CA 3.48Å; L608-A655 HydrophobicContact CB-CB 4.21Å; L651-A655 WeakPolarHBondContact O-CB 3.41Å; L651-A655 PolarHBondContact O-N 3.45Å; I652-A655 PolarHBondContact O-N 3.28Å
656	F	87.9	Confident	84.7	Confident	24 Å²	24	53.6 Å²	53.6	11%	0.105	28%	0.282	C	S	.	.			trans	-69.4	134	175.3	-178.1	-91.3	0	0	0	111.5	K556 I557 W601 M603 Q604 R606 E658	K556-F656 HydrophobicContact CB-CD1 4.22Å; K556-F656 HydrophobicContact CD-CD1 3.92Å; K556-F656 HydrophobicContact CD-CE1 3.91Å; K556-F656 HydrophobicContact CG-CD1 3.86Å; K556-F656 HydrophobicContact CG-CE1 4.37Å; I557-F656 WeakPolarHBondContact CB-O 3.44Å; I557-F656 PolarHBondContact N-O 3.26Å; W601-F656 HydrophobicContact CH2-CB 4.08Å; W601-F656 HydrophobicContact CZ2-CB 3.55Å; W601-F656 HydrophobicContact CZ2-CG 4.19Å; M603-F656 HydrophobicContact CB-CD2 3.75Å; M603-F656 HydrophobicContact CB-CE2 3.85Å; M603-F656 HydrophobicContact CB-CG 4.42Å; M603-F656 HydrophobicContact CG-CE2 4.25Å; M603-F656 HydrophobicContact SD-CD1 4.19Å; M603-F656 HydrophobicContact SD-CD2 4.3Å; M603-F656 HydrophobicContact SD-CE1 3.86Å; M603-F656 HydrophobicContact SD-CE2 4Å; M603-F656 HydrophobicContact SD-CG 4.41Å; M603-F656 HydrophobicContact SD-CZ 3.77Å; Q604-F656 VanDerWaalsContact O-CD2 3.32Å; Q604-F656 WeakPolarHBondContact O-CD2 3.49Å; R606-F656 PolarHBondContact O-N 3.39Å; R606-F656 VanDerWaalsContact O-N 3.1Å; F656-E658 HydrophobicContact CE1-CB 3.99Å
657	V	88.3	Confident	83.1	Confident	58 Å²	58	56.7 Å²	56.7	35%	0.352	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.1	179.9	-175.2	0	0	0	0	110.3	I557 R559	I557-V657 HydrophobicContact CB-CG2 4.14Å; I557-V657 HydrophobicContact CG2-CG1 4.42Å; I557-V657 HydrophobicContact CG2-CG2 4.29Å; I557-V657 CarbonylContact O-C 3.59Å; I557-V657 VanDerWaalsContact O-CA 3.32Å; I557-V657 WeakPolarHBondContact O-CA 3.31Å; R559-V657 HydrophobicContact CG-CG1 3.62Å
658	E	87.8	Confident	81.4	Confident	21 Å²	21	54.6 Å²	54.6	10%	0.098	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.3	174.1	-166.3	157.2	-141.9	0	0	110.3	F258 Y530 K556 I557 Y558 R559 F656 L660	F258-E658 HydrophobicContact CE1-CG 4.28Å; Y530-E658 PolarHBondContact OH-OE2 3.03Å; K556-E658 HydrophobicContact CD-CB 4.33Å; K556-E658 WeakPolarHBondContact CD-OE2 3.49Å; K556-E658 WeakPolarHBondContact CE-OE2 3.25Å; K556-E658 VanDerWaalsContact NZ-CD 3.29Å; K556-E658 IonicContact NZ-OE1 2.67Å; K556-E658 PolarHBondContact NZ-OE1 3.49Å; K556-E658 IonicContact NZ-OE2 3.77Å; K556-E658 PolarHBondContact NZ-OE2 2.84Å; I557-E658 PolarHBondContact O-N 3.19Å; Y558-E658 CarbonylContact C-O 3.55Å; Y558-E658 WeakPolarHBondContact CA-O 3.23Å; Y558-E658 HydrophobicContact CD1-CB 3.95Å; Y558-E658 HydrophobicContact CD1-CG 4.42Å; Y558-E658 HydrophobicContact CE1-CB 3.91Å; Y558-E658 HydrophobicContact CE1-CG 4.14Å; Y558-E658 WeakPolarHBondContact CE1-OE2 3.37Å; Y558-E658 PolarHBondContact OH-OE2 3.34Å; R559-E658 PolarHBondContact N-O 3.29Å; F656-E658 HydrophobicContact CE1-CB 3.99Å; E658-L660 HydrophobicContact CG-CD2 4.12Å
659	Q	87.1	Confident	80.3	Confident	92 Å²	92	59.8 Å²	59.8	43%	0.43	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122	178.8	-66	-178.3	-20.8	0	0	109.9	R559 D661	R559-Q659 HydrophobicContact CB-CG 4.2Å; R559-Q659 HydrophobicContact CG-CG 4.5Å; Q659-D661 PolarHBondContact O-N 3.5Å
660	L	87.3	Confident	79.4	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	32%	0.324	C	S	.	.			trans	-99.2	60.2	177.7	-53.2	-169.7	0	0	0	110.7	L526 Y530 Y558 R559 I560 E658 F662 L663	L526-L660 HydrophobicContact CD1-CD1 4.21Å; Y530-L660 HydrophobicContact CE1-CD2 4.07Å; Y530-L660 HydrophobicContact CE2-CD1 4.43Å; Y558-L660 HydrophobicContact CD1-CD1 3.95Å; Y558-L660 HydrophobicContact CD1-CD2 4.05Å; Y558-L660 HydrophobicContact CD1-CG 3.96Å; Y558-L660 HydrophobicContact CE1-CD1 4.42Å; Y558-L660 HydrophobicContact CE1-CD2 4.19Å; R559-L660 PolarHBondContact O-N 2.64Å; R559-L660 VanDerWaalsContact O-N 3.1Å; I560-L660 HydrophobicContact CD1-CD1 3.75Å; I560-L660 HydrophobicContact CG1-CB 4.23Å; I560-L660 HydrophobicContact CG1-CD1 3.84Å; I560-L660 HydrophobicContact CG1-CG 4.12Å; E658-L660 HydrophobicContact CG-CD2 4.12Å; L660-F662 HydrophobicContact CB-CD1 4.41Å; L660-F662 HydrophobicContact CB-CE1 3.82Å; L660-F662 HydrophobicContact CB-CZ 3.99Å; L660-F662 HydrophobicContact CD1-CZ 4.23Å; L660-F662 HydrophobicContact CD2-CE1 3.74Å; L660-F662 HydrophobicContact CD2-CZ 4.16Å; L660-F662 HydrophobicContact CG-CE1 4.23Å; L660-F662 HydrophobicContact CG-CZ 4.34Å; L660-F662 PolarHBondContact O-N 3.05Å; L660-L663 HydrophobicContact CB-CD1 4.17Å; L660-L663 PolarHBondContact O-N 3.46Å
661	D	81.1	Confident	78.8	Confident	26 Å²	26	56.9 Å²	56.9	14%	0.139	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-66	-20.6	-176.2	-76.9	-21.4	0	0	0	113.5	S253 Q659 L663 R664	S253-D661 VanDerWaalsContact CB-OD2 3.3Å; S253-D661 WeakPolarHBondContact CB-OD2 3.45Å; S253-D661 PolarHBondContact OG-OD2 2.94Å; Q659-D661 PolarHBondContact O-N 3.5Å; D661-L663 PolarHBondContact O-N 2.69Å; D661-L663 VanDerWaalsContact O-N 3.1Å; D661-R664 WeakPolarHBondContact O-CB 3.03Å; D661-R664 PolarHBondContact O-N 3.21Å; D661-R664 IonicContact OD1-CZ 3.31Å; D661-R664 IonicContact OD1-NE 2.92Å; D661-R664 IonicContact OD1-NH1 3.45Å; D661-R664 IonicContact OD1-NH2 3.28Å; D661-R664 PolarHBondContact OD1-NH2 3.12Å
662	F	82.7	Confident	78.3	Confident	27 Å²	27	65.3 Å²	65.3	12%	0.118	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-60.2	-21.3	178.3	60.3	-100.7	0	0	0	113.4	F258 Y530 F532 L533 L660 R664 V665	F258-F662 HydrophobicContact CE2-CD1 4.22Å; Y530-F662 HydrophobicContact CD1-CE1 4.49Å; Y530-F662 HydrophobicContact CD1-CZ 4.01Å; Y530-F662 HydrophobicContact CE1-CE1 4.47Å; Y530-F662 HydrophobicContact CE1-CZ 4.37Å; F532-F662 HydrophobicContact CB-CE2 4.49Å; L533-F662 HydrophobicContact CB-CD2 4.26Å; L533-F662 HydrophobicContact CB-CE1 4.36Å; L533-F662 HydrophobicContact CB-CE2 3.92Å; L533-F662 HydrophobicContact CB-CZ 3.98Å; L533-F662 HydrophobicContact CD1-CD1 3.64Å; L533-F662 HydrophobicContact CD1-CD2 4.38Å; L533-F662 HydrophobicContact CD1-CE1 3.82Å; L533-F662 HydrophobicContact CD1-CG 3.94Å; L533-F662 HydrophobicContact CD1-CZ 4.3Å; L660-F662 HydrophobicContact CB-CD1 4.41Å; L660-F662 HydrophobicContact CB-CE1 3.82Å; L660-F662 HydrophobicContact CB-CZ 3.99Å; L660-F662 HydrophobicContact CD1-CZ 4.23Å; L660-F662 HydrophobicContact CD2-CE1 3.74Å; L660-F662 HydrophobicContact CD2-CZ 4.16Å; L660-F662 HydrophobicContact CG-CE1 4.23Å; L660-F662 HydrophobicContact CG-CZ 4.34Å; L660-F662 PolarHBondContact O-N 3.05Å; F662-R664 VanDerWaalsContact C-N 3.27Å; F662-R664 PolarHBondContact O-N 3.09Å; F662-V665 PolarHBondContact O-N 2.91Å
663	L	82.1	Confident	78.4	Confident	3 Å²	3	65 Å²	65	2%	0.016	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-68	-25.5	175.4	-71.9	168.1	0	0	0	112.5	A529 F532 I560 L561 L660 D661 V665 I670	A529-L663 HydrophobicContact CB-CD1 4.22Å; F532-L663 HydrophobicContact CB-CD2 3.75Å; F532-L663 HydrophobicContact CD2-CD2 3.98Å; F532-L663 HydrophobicContact CG-CD2 4.06Å; I560-L663 HydrophobicContact CG2-CD1 3.62Å; L561-L663 HydrophobicContact CD2-CB 4.13Å; L660-L663 HydrophobicContact CB-CD1 4.17Å; L660-L663 PolarHBondContact O-N 3.46Å; D661-L663 PolarHBondContact O-N 2.69Å; D661-L663 VanDerWaalsContact O-N 3.1Å; L663-V665 PolarHBondContact O-N 3.27Å; L663-V665 VanDerWaalsContact O-N 3.16Å; L663-I670 HydrophobicContact CB-CD1 4.12Å; L663-I670 HydrophobicContact CD2-CD1 4.35Å; L663-I670 VanDerWaalsContact O-CD1 3.26Å; L663-I670 WeakPolarHBondContact O-CD1 3.38Å
664	R	72.2	Confident	78.5	Confident	146 Å²	146	66.4 Å²	66.4	55%	0.551	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-67	-18	-179.9	-63.7	-178.3	-177.9	163.3	8.8	113.7	L561 D661 F662 N666	L561-R664 HydrophobicContact CD2-CG 4.36Å; D661-R664 WeakPolarHBondContact O-CB 3.03Å; D661-R664 PolarHBondContact O-N 3.21Å; D661-R664 IonicContact OD1-CZ 3.31Å; D661-R664 IonicContact OD1-NE 2.92Å; D661-R664 IonicContact OD1-NH1 3.45Å; D661-R664 IonicContact OD1-NH2 3.28Å; D661-R664 PolarHBondContact OD1-NH2 3.12Å; F662-R664 VanDerWaalsContact C-N 3.27Å; F662-R664 PolarHBondContact O-N 3.09Å; R664-N666 VanDerWaalsContact C-N 3.32Å; R664-N666 PolarHBondContact O-N 2.74Å
665	V	63.1	Low	78.6	Confident	101 Å²	101	67.3 Å²	67.3	61%	0.612	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-75.7	-20.3	-172.9	-175.2	0	0	0	0	112.2	F662 L663	F662-V665 PolarHBondContact O-N 2.91Å; L663-V665 PolarHBondContact O-N 3.27Å; L663-V665 VanDerWaalsContact O-N 3.16Å
666	N	60.6	Low	78.5	Confident	68 Å²	68	68.4 Å²	68.4	36%	0.364	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-141.3	50	-178.5	-73.8	-40.8	0	0	0	112.8	R664 A668 E669 I670	R664-N666 VanDerWaalsContact C-N 3.32Å; R664-N666 PolarHBondContact O-N 2.74Å; N666-A668 PolarHBondContact O-N 3.28Å; N666-E669 PolarHBondContact O-N 2.5Å; N666-E669 VanDerWaalsContact O-N 3.15Å; N666-I670 WeakPolarHBondContact O-CG1 3.24Å
667	E	61.2	Low	78.4	Confident	126 Å²	126	74.6 Å²	74.6	59%	0.589	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-54	-29.8	-174.4	-73.2	-173.1	169.3	0	0	115	E669 I670	E667-E669 VanDerWaalsContact C-N 3.29Å; E667-E669 PolarHBondContact O-N 2.94Å; E667-I670 HydrophobicContact CG-CD1 4.39Å
668	A	57.3	Low	78.1	Confident	107 Å²	107	73.1 Å²	73.1	88%	0.884	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.8	-177.9	0	0	0	0	0	114.9	N666	N666-A668 PolarHBondContact O-N 3.28Å
669	E	68.9	Low	77.8	Confident	108 Å²	108	76 Å²	76	51%	0.505	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-109.2	5.3	-176.6	-67.2	-179.4	177.5	0	0	113.1	F532 K537 N666 E667	F532-E669 WeakPolarHBondContact CZ-O 3.43Å; K537-E669 IonicContact NZ-OE1 2.68Å; K537-E669 PolarHBondContact NZ-OE1 3.42Å; K537-E669 IonicContact NZ-OE2 2.72Å; K537-E669 PolarHBondContact NZ-OE2 3.1Å; N666-E669 PolarHBondContact O-N 2.5Å; N666-E669 VanDerWaalsContact O-N 3.15Å; E667-E669 VanDerWaalsContact C-N 3.29Å; E667-E669 PolarHBondContact O-N 2.94Å
670	I	73.8	Confident	77	Confident	32 Å²	32	78.4 Å²	78.4	16%	0.164	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-81.6	126.6	-175.7	-54.3	177.6	0	0	0	110.1	L561 L663 N666 E667 F673	L561-I670 HydrophobicContact CD1-CD1 4Å; L561-I670 HydrophobicContact CD1-CG2 4.48Å; L561-I670 HydrophobicContact CD2-CD1 4.3Å; L663-I670 HydrophobicContact CB-CD1 4.12Å; L663-I670 HydrophobicContact CD2-CD1 4.35Å; L663-I670 VanDerWaalsContact O-CD1 3.26Å; L663-I670 WeakPolarHBondContact O-CD1 3.38Å; N666-I670 WeakPolarHBondContact O-CG1 3.24Å; E667-I670 HydrophobicContact CG-CD1 4.39Å; I670-F673 HydrophobicContact CG2-CE2 3.52Å; I670-F673 HydrophobicContact CG2-CZ 3.71Å
671	P	77.6	Confident	75.7	Confident	54 Å²	54	81.9 Å²	81.9	35%	0.351	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-69.2	155.7	175.6	30.2	-35.7	0	0	0	111.4	F532 F673	F532-P671 HydrophobicContact CE2-CG 4.21Å; P671-F673 HydrophobicContact CG-CE1 4.46Å; P671-F673 PolarHBondContact O-N 2.9Å
672	E	82.6	Confident	74.2	Confident	180 Å²	180	85.2 Å²	85.2	84%	0.841	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-68.1	122.8	170.2	-169	174.1	-164.2	0	0	110.4
673	F	87.1	Confident	72.3	Confident	30 Å²	30	92.9 Å²	92.9	13%	0.132	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-84.9	135.4	177.4	-59	-71.9	0	0	0	110.7	W521 E525 K528 A529 I670 P671	W521-F673 HydrophobicContact CD2-CB 4.42Å; W521-F673 HydrophobicContact CE3-CB 4.46Å; W521-F673 HydrophobicContact CH2-CB 3.48Å; W521-F673 VanDerWaalsContact CH2-CB 3.48Å; W521-F673 AromaticContact CH2-CD1 3.91Å; W521-F673 HydrophobicContact CH2-CD1 3.91Å; W521-F673 AromaticContact CH2-CD2 3.41Å; W521-F673 HydrophobicContact CH2-CD2 3.41Å; W521-F673 VanDerWaalsContact CH2-CD2 3.41Å; W521-F673 HydrophobicContact CH2-CE2 4.06Å; W521-F673 AromaticContact CH2-CG 3.31Å; W521-F673 HydrophobicContact CH2-CG 3.31Å; W521-F673 HydrophobicContact CZ2-CB 3.4Å; W521-F673 AromaticContact CZ2-CD2 3.99Å; W521-F673 HydrophobicContact CZ2-CD2 3.99Å; W521-F673 AromaticContact CZ2-CG 3.79Å; W521-F673 HydrophobicContact CZ2-CG 3.79Å; W521-F673 HydrophobicContact CZ3-CB 4.02Å; W521-F673 AromaticContact CZ3-CD1 3.85Å; W521-F673 HydrophobicContact CZ3-CD1 3.85Å; W521-F673 HydrophobicContact CZ3-CD2 4.16Å; W521-F673 HydrophobicContact CZ3-CE1 4.35Å; W521-F673 AromaticContact CZ3-CG 3.75Å; W521-F673 HydrophobicContact CZ3-CG 3.75Å; E525-F673 HydrophobicContact CB-CD1 4.49Å; K528-F673 HydrophobicContact CB-CE1 4.07Å; A529-F673 HydrophobicContact CB-CE1 3.86Å; A529-F673 HydrophobicContact CB-CZ 3.89Å; I670-F673 HydrophobicContact CG2-CE2 3.52Å; I670-F673 HydrophobicContact CG2-CZ 3.71Å; P671-F673 HydrophobicContact CG-CE1 4.46Å; P671-F673 PolarHBondContact O-N 2.9Å
674	K	87.1	Confident	70.3	Confident	150 Å²	150	101.2 Å²	101.2	65%	0.652	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-95.7	120.9	-177.7	-63.9	-173.6	178.2	-173.3	0	111.7	E525	E525-K674 PolarHBondContact OE2-N 3.4Å
675	S	86.9	Confident	68.7	Low	48 Å²	48	97.2 Å²	97.2	34%	0.336	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-74.8	152.6	168.8	49	0	0	0	0	111.4	I520 E677	I520-S675 WeakPolarHBondContact O-CA 3.13Å; S675-E677 PolarHBondContact O-N 3.3Å
676	F	86.6	Confident	67.4	Low	34 Å²	34	102.1 Å²	102.1	15%	0.149	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-68.7	118.6	168.2	-177.4	-104.7	0	0	0	109.5	E494 P512 I520 Y568 L612	E494-F676 HydrophobicContact CB-CE1 4.33Å; E494-F676 HydrophobicContact CB-CZ 4.04Å; P512-F676 HydrophobicContact CB-CD1 4.35Å; P512-F676 WeakPolarHBondContact CB-O 3.39Å; P512-F676 HydrophobicContact CG-CD1 3.61Å; P512-F676 HydrophobicContact CG-CE1 3.71Å; I520-F676 HydrophobicContact CB-CB 4.37Å; I520-F676 HydrophobicContact CG2-CB 4.2Å; I520-F676 PolarHBondContact O-N 2.95Å; Y568-F676 HydrophobicContact CE1-CB 4.38Å; Y568-F676 HydrophobicContact CE1-CD2 4.32Å; Y568-F676 HydrophobicContact CE1-CG 4.35Å; L612-F676 HydrophobicContact CD1-CD1 4.34Å; L612-F676 HydrophobicContact CD1-CE1 3.61Å; L612-F676 HydrophobicContact CD1-CZ 3.91Å; L612-F676 HydrophobicContact CD2-CE1 4.32Å; L612-F676 HydrophobicContact CD2-CE2 4.18Å; L612-F676 HydrophobicContact CD2-CZ 3.97Å
677	E	85.1	Confident	66.3	Low	153 Å²	153	104.6 Å²	104.6	72%	0.715	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-92.6	152.8	-177.9	-66.6	178.7	-177.1	0	0	111.6	S675	S675-E677 PolarHBondContact O-N 3.3Å
678	E	82.9	Confident	65	Low	28 Å²	28	106.6 Å²	106.6	13%	0.131	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-69.2	134.7	174	-175.5	166.7	170.7	0	0	110.6	Q496 T511 P512 Q513 E680	Q496-E678 WeakPolarHBondContact CB-OE1 3.46Å; Q496-E678 PolarHBondContact N-OE1 3.13Å; T511-E678 WeakPolarHBondContact CB-OE2 3.29Å; T511-E678 PolarHBondContact OG1-OE2 3.39Å; P512-E678 HydrophobicContact CB-CB 4.39Å; P512-E678 HydrophobicContact CG-CB 4.29Å; Q513-E678 WeakPolarHBondContact CB-OE2 3.17Å; Q513-E678 HydrophobicContact CG-CB 4.02Å; Q513-E678 WeakPolarHBondContact CG-OE2 3.15Å; E678-E680 PolarHBondContact O-N 2.97Å; E678-E680 VanDerWaalsContact O-N 3.09Å
679	L	81.1	Confident	64.2	Low	81 Å²	81	113.7 Å²	113.7	42%	0.424	55%	0.546	S	S	.	.			trans	-71.7	104	179.7	-176.1	71.5	0	0	0	110.4	E494	E494-L679 HydrophobicContact CG-CD2 4.45Å; E494-L679 WeakPolarHBondContact O-CB 3.49Å; E494-L679 PolarHBondContact O-N 3.25Å
680	E	69.4	Low	62.5	Low	143 Å²	143	115.7 Å²	115.7	67%	0.668	56%	0.555	S	S	*	*			trans	-81.7	113.9	171	-65.5	-161.2	174	0	0	111.1	E678	E678-E680 PolarHBondContact O-N 2.97Å; E678-E680 VanDerWaalsContact O-N 3.09Å
681	L	60.4	Low	60.7	Low	75 Å²	75	120.4 Å²	120.4	39%	0.393	59%	0.585	S	S	.	*			trans	-78.3	148.2	169.1	-74.1	164.3	0	0	0	110.2	K683	L681-K683 PolarHBondContact O-N 3.34Å; L681-K683 VanDerWaalsContact O-N 3.15Å
682	P	49.5	Very low	58.8	Low	95 Å²	95	122.2 Å²	122.2	62%	0.617	60%	0.6	S	S	*	*			trans	-55.7	124	177.7	-22.5	31.6	0	0	0	111.1	H684 S685	P682-H684 PolarHBondContact O-N 3.02Å; P682-S685 PolarHBondContact O-N 3.23Å; P682-S685 PolarHBondContact O-OG 2.85Å; P682-S685 VanDerWaalsContact O-OG 3.07Å
683	K	42.9	Very low	56.6	Low	189 Å²	189	118.4 Å²	118.4	82%	0.822	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	-5.4	-174.3	-65.8	-178.4	-177.9	176.8	0	115.4	L681	L681-K683 PolarHBondContact O-N 3.34Å; L681-K683 VanDerWaalsContact O-N 3.15Å
684	H	40	Very low	54.3	Low	178 Å²	178	119.6 Å²	119.6	82%	0.824	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	7.4	179.4	-63.2	-52	0	0	0	115.1	P682 K686	P682-H684 PolarHBondContact O-N 3.02Å; H684-K686 VanDerWaalsContact C-N 3.31Å; H684-K686 PolarHBondContact O-N 3.45Å
685	S	38.3	Very low	51.9	Low	62 Å²	62	117.4 Å²	117.4	43%	0.434	60%	0.595	S	S	.	*			trans	-73.2	86.8	172.3	64	0	0	0	0	110.1	P682 V687	P682-S685 PolarHBondContact O-N 3.23Å; P682-S685 PolarHBondContact O-OG 2.85Å; P682-S685 VanDerWaalsContact O-OG 3.07Å; S685-V687 PolarHBondContact O-N 2.65Å
686	K	35.8	Very low	49.9	Very low	204 Å²	204	118.9 Å²	118.9	89%	0.887	61%	0.61	S	S	*	*			trans	-66	70.8	159	-70	-175.6	-178.9	178.7	0	108	H684 K688	H684-K686 VanDerWaalsContact C-N 3.31Å; H684-K686 PolarHBondContact O-N 3.45Å; K686-K688 VanDerWaalsContact C-N 3.32Å; K686-K688 PolarHBondContact O-N 3.15Å
687	V	38.6	Very low	48	Very low	119 Å²	119	121 Å²	121	72%	0.721	63%	0.629	S	S	*	*			trans	-66	101.5	168.4	-177.4	0	0	0	0	105.2	S685 R689	S685-V687 PolarHBondContact O-N 2.65Å; V687-R689 PolarHBondContact O-N 3.34Å
688	K	33.8	Very low	46.1	Very low	169 Å²	169	117.3 Å²	117.3	74%	0.735	61%	0.614	S	S	*	*			trans	-48.4	132.3	172.1	-75.8	178.8	175.5	177.1	0	107.3	K686 Q690	K686-K688 VanDerWaalsContact C-N 3.32Å; K686-K688 PolarHBondContact O-N 3.15Å; K688-Q690 PolarHBondContact O-N 3.49Å
689	R	39	Very low	44.4	Very low	256 Å²	256	119.8 Å²	119.8	97%	0.966	63%	0.628	S	S	*	*			trans	-59.2	72.7	159.9	-81.1	-179.8	172.3	171	-3.1	108.2	V687	V687-R689 PolarHBondContact O-N 3.34Å
690	Q	34.3	Very low	43.1	Very low	150 Å²	150	122.5 Å²	122.5	70%	0.701	64%	0.638	S	S	*	*			trans	-92.5	119.3	151.6	-80.2	-177.1	-14.4	0	0	104.5	K688 S692	K688-Q690 PolarHBondContact O-N 3.49Å; Q690-S692 PolarHBondContact O-N 3.19Å
691	T	35.3	Very low	42.6	Very low	130 Å²	130	118.8 Å²	118.8	80%	0.798	62%	0.621	S	S	*	*			trans	-42.5	85.8	151.2	37.9	0	0	0	0	108.5	T693	T691-T693 PolarHBondContact O-N 2.81Å
692	S	37.7	Very low	42.7	Very low	93 Å²	93	120.5 Å²	120.5	65%	0.65	63%	0.627	S	S	*	*			trans	-79.1	64.6	164	60.8	0	0	0	0	106.4	Q690 P694	Q690-S692 PolarHBondContact O-N 3.19Å; S692-P694 VanDerWaalsContact O-CD 3.32Å; S692-P694 WeakPolarHBondContact O-CD 3.18Å
693	T	36.8	Very low	43.5	Very low	100 Å²	100	117.5 Å²	117.5	61%	0.613	61%	0.607	S	S	*	*			trans	-54.5	115.6	142.9	-10.1	0	0	0	0	103.6	T691 N695	T691-T693 PolarHBondContact O-N 2.81Å; T693-N695 PolarHBondContact O-N 3.44Å; T693-N695 VanDerWaalsContact O-N 3.08Å
694	P	38.3	Very low	44.9	Very low	54 Å²	54	114.4 Å²	114.4	35%	0.351	60%	0.596	S	S	.	*			trans	-54.3	123.1	165.4	-11.5	25.3	0	0	0	104.7	S692 A696 L699	S692-P694 VanDerWaalsContact O-CD 3.32Å; S692-P694 WeakPolarHBondContact O-CD 3.18Å; P694-A696 PolarHBondContact O-N 2.91Å; P694-L699 HydrophobicContact CB-CD1 4.47Å
695	N	38.2	Very low	46.6	Very low	105 Å²	105	106.5 Å²	106.5	56%	0.561	56%	0.56	S	S	*	*			trans	-57.9	145.4	169.1	-81.1	-23.7	0	0	0	106.4	T693 S697 D698	T693-N695 PolarHBondContact O-N 3.44Å; T693-N695 VanDerWaalsContact O-N 3.08Å; N695-S697 VanDerWaalsContact CB-OG 3.26Å; N695-S697 WeakPolarHBondContact CB-OG 3.15Å; N695-S697 PolarHBondContact O-N 3.14Å; N695-D698 PolarHBondContact N-OD2 3.2Å; N695-D698 WeakPolarHBondContact O-CB 3.49Å; N695-D698 PolarHBondContact O-N 3.33Å
696	A	44.8	Very low	48.4	Very low	78 Å²	78	106.1 Å²	106.1	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-51.4	-28.3	174.9	0	0	0	0	0	111.7	P694 D698 L699	P694-A696 PolarHBondContact O-N 2.91Å; A696-D698 VanDerWaalsContact C-N 3.32Å; A696-D698 PolarHBondContact O-N 3.24Å; A696-L699 PolarHBondContact O-N 3.18Å
697	S	45.6	Very low	50.2	Low	79 Å²	79	98.8 Å²	98.8	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-65.4	-21.4	173.4	61.7	0	0	0	0	115.9	N695	N695-S697 VanDerWaalsContact CB-OG 3.26Å; N695-S697 WeakPolarHBondContact CB-OG 3.15Å; N695-S697 PolarHBondContact O-N 3.14Å
698	D	44.5	Very low	51.9	Low	75 Å²	75	100.7 Å²	100.7	40%	0.401	53%	0.53	S	S	.	.	H	α-helix	trans	-84	-22.2	179.7	-68.1	-34	0	0	0	112.6	N695 A696 L769	N695-D698 PolarHBondContact N-OD2 3.2Å; N695-D698 WeakPolarHBondContact O-CB 3.49Å; N695-D698 PolarHBondContact O-N 3.33Å; A696-D698 VanDerWaalsContact C-N 3.32Å; A696-D698 PolarHBondContact O-N 3.24Å; D698-L769 WeakPolarHBondContact O-CD2 3.21Å
699	L	48.9	Very low	54.2	Low	81 Å²	81	97.9 Å²	97.9	42%	0.424	52%	0.52	S	S	.	.	H	α-helix	trans	-83.5	-17.5	178.8	-75.2	160	0	0	0	112.6	P694 A696 K768	P694-L699 HydrophobicContact CB-CD1 4.47Å; A696-L699 PolarHBondContact O-N 3.18Å; L699-K768 HydrophobicContact CD2-CB 4.39Å
700	E	53.3	Low	56.4	Low	137 Å²	137	87.1 Å²	87.1	64%	0.64	48%	0.479	S	S	*	.			trans	-108.3	38.7	-178.7	-65.4	179.9	174.8	0	0	112.1	Q702	E700-Q702 VanDerWaalsContact C-N 3.27Å; E700-Q702 PolarHBondContact O-N 3.31Å
701	Q	59.1	Low	58.6	Low	66 Å²	66	84.7 Å²	84.7	31%	0.308	47%	0.468	S	S	.	.			trans	-68.7	88.5	172.4	-72	-172.6	-4.1	0	0	110
702	Q	63.1	Low	60.9	Low	111 Å²	111	85.1 Å²	85.1	52%	0.519	47%	0.465	S	S	.	.			trans	-58.7	145.6	163.6	-70.4	-73.8	-1	0	0	108.9	E700 E704 Q893	E700-Q702 VanDerWaalsContact C-N 3.27Å; E700-Q702 PolarHBondContact O-N 3.31Å; Q702-E704 PolarHBondContact O-N 3.48Å; Q702-Q893 VanDerWaalsContact CD-NE2 3.3Å
703	P	66.1	Low	63.3	Low	31 Å²	31	83 Å²	83	20%	0.201	44%	0.444	C	S	.	.			trans	-60	130.2	175	-4.1	14.1	0	0	0	109.7	I705 A729 S730 Q733 L771	P703-I705 PolarHBondContact O-N 3.06Å; P703-I705 VanDerWaalsContact O-N 3.15Å; P703-A729 HydrophobicContact CG-CB 4.48Å; P703-S730 WeakPolarHBondContact CA-OG 3.32Å; P703-Q733 VanDerWaalsContact CB-OE1 3.24Å; P703-Q733 VanDerWaalsContact CG-NE2 3.3Å; P703-L771 HydrophobicContact CG-CD2 4.43Å
704	E	71.7	Confident	65.8	Low	124 Å²	124	80.6 Å²	80.6	58%	0.579	43%	0.43	S	S	*	.	S	Bend	trans	-71.4	-0.4	174.6	-62.8	176.5	-172.9	0	0	113	Q702 K721 C727 S730	Q702-E704 PolarHBondContact O-N 3.48Å; E704-K721 IonicContact OE2-NZ 2.63Å; E704-K721 PolarHBondContact OE2-NZ 3.09Å; E704-C727 HydrophobicContact CG-CB 4.4Å; E704-S730 PolarHBondContact N-OG 3.01Å
705	I	75.1	Confident	68	Low	13 Å²	13	79.3 Å²	79.3	7%	0.067	42%	0.421	C	S	.	.	S	Bend	trans	-133.7	147.8	-170.7	65.3	176.5	0	0	0	110.2	P703 W710 S730 Q733 L734	P703-I705 PolarHBondContact O-N 3.06Å; P703-I705 VanDerWaalsContact O-N 3.15Å; I705-W710 HydrophobicContact CB-CG 4.32Å; I705-W710 HydrophobicContact CG2-CD2 4.39Å; I705-W710 HydrophobicContact CG2-CZ2 4.18Å; I705-S730 WeakPolarHBondContact CD1-O 3.35Å; I705-Q733 HydrophobicContact CD1-CB 3.95Å; I705-Q733 HydrophobicContact CG1-CB 4.48Å; I705-Q733 VanDerWaalsContact CG1-OE1 3.29Å; I705-Q733 PolarHBondContact O-OE1 2.91Å; I705-L734 HydrophobicContact CD1-CD1 3.93Å; I705-L734 HydrophobicContact CD1-CD2 3.58Å; I705-L734 HydrophobicContact CD1-CG 3.36Å
706	S	75.5	Confident	70.2	Confident	54 Å²	54	81.1 Å²	81.1	38%	0.378	42%	0.421	S	S	.	.			trans	-98.6	132.5	166.7	175	0	0	0	0	110	E708 E709 W710	S706-E708 PolarHBondContact O-N 3.09Å; S706-E708 PolarHBondContact OG-N 3.14Å; S706-E709 PolarHBondContact O-N 3.47Å; S706-W710 VanDerWaalsContact O-CD1 3.23Å; S706-W710 PolarHBondContact O-N 3.02Å; S706-W710 VanDerWaalsContact O-N 3.13Å
707	V	74.3	Confident	72.2	Confident	50 Å²	50	80.7 Å²	80.7	30%	0.303	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-40.2	177.1	177.7	0	0	0	0	110.8	E709 W710 Q711 Q733 I737	V707-E709 VanDerWaalsContact C-N 3.31Å; V707-E709 PolarHBondContact O-N 3.29Å; V707-W710 PolarHBondContact O-N 2.94Å; V707-Q711 WeakPolarHBondContact O-CB 3.45Å; V707-Q711 PolarHBondContact O-N 3.13Å; V707-Q733 HydrophobicContact CG2-CB 4.44Å; V707-Q733 HydrophobicContact CG2-CG 4.28Å; V707-I737 HydrophobicContact CG1-CD1 4.39Å; V707-I737 HydrophobicContact CG1-CG1 4.42Å
708	E	75.5	Confident	74.2	Confident	159 Å²	159	76.9 Å²	76.9	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-63.4	-36.7	-179.2	-64.3	174.3	-178.5	0	0	112.5	S706	S706-E708 PolarHBondContact O-N 3.09Å; S706-E708 PolarHBondContact OG-N 3.14Å
709	E	81.4	Confident	76.1	Confident	109 Å²	109	75.1 Å²	75.1	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-73.9	-37.5	178.8	-170.2	-150	144.1	0	0	111.6	S706 V707 K713	S706-E709 PolarHBondContact O-N 3.47Å; V707-E709 VanDerWaalsContact C-N 3.31Å; V707-E709 PolarHBondContact O-N 3.29Å; E709-K713 IonicContact OE1-NZ 3.73Å; E709-K713 PolarHBondContact OE1-NZ 3.44Å
710	W	84.4	Confident	77.8	Confident	30 Å²	30	76.9 Å²	76.9	11%	0.114	38%	0.376	C	S	.	.	H	α-helix	trans	-91.8	-17.9	-172.8	-74.9	75	0	0	0	113.8	I705 S706 V707 N712 K713 I718 K721 L734 I737	I705-W710 HydrophobicContact CB-CG 4.32Å; I705-W710 HydrophobicContact CG2-CD2 4.39Å; I705-W710 HydrophobicContact CG2-CZ2 4.18Å; S706-W710 VanDerWaalsContact O-CD1 3.23Å; S706-W710 PolarHBondContact O-N 3.02Å; S706-W710 VanDerWaalsContact O-N 3.13Å; V707-W710 PolarHBondContact O-N 2.94Å; W710-N712 PolarHBondContact O-N 3.33Å; W710-K713 HydrophobicContact CD2-CD 3.98Å; W710-K713 HydrophobicContact CE3-CD 3.79Å; W710-K713 HydrophobicContact CG-CD 4.5Å; W710-K713 HydrophobicContact CH2-CD 4.4Å; W710-K713 HydrophobicContact CZ3-CD 4Å; W710-K713 PolarHBondContact O-N 3.43Å; W710-I718 HydrophobicContact CE3-CG1 4.41Å; W710-K721 HydrophobicContact CE3-CB 4.4Å; W710-K721 HydrophobicContact CE3-CG 4.45Å; W710-K721 HydrophobicContact CH2-CB 3.53Å; W710-K721 HydrophobicContact CH2-CD 3.81Å; W710-K721 HydrophobicContact CH2-CG 3.39Å; W710-K721 HydrophobicContact CZ2-CD 4.22Å; W710-K721 HydrophobicContact CZ2-CG 3.99Å; W710-K721 HydrophobicContact CZ3-CB 3.42Å; W710-K721 VanDerWaalsContact CZ3-CB 3.42Å; W710-K721 HydrophobicContact CZ3-CG 3.66Å; W710-L734 HydrophobicContact CB-CD2 4.43Å; W710-L734 HydrophobicContact CD2-CD2 4.06Å; W710-L734 HydrophobicContact CE3-CD2 3.67Å; W710-L734 HydrophobicContact CG-CD2 4.39Å; W710-L734 HydrophobicContact CZ3-CD2 4.35Å; W710-I737 HydrophobicContact CB-CD1 3.83Å
711	Q	81.9	Confident	79.4	Confident	100 Å²	100	73.2 Å²	73.2	47%	0.467	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.4	-179.4	-175.9	168.9	0.5	0	0	113	V707	V707-Q711 WeakPolarHBondContact O-CB 3.45Å; V707-Q711 PolarHBondContact O-N 3.13Å
712	N	83.3	Confident	80.6	Confident	139 Å²	139	70.2 Å²	70.2	74%	0.743	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-5.5	-178.2	-63.3	-42	0	0	0	113.9	W710	W710-N712 PolarHBondContact O-N 3.33Å
713	K	88.1	Confident	81.5	Confident	49 Å²	49	68.2 Å²	68.2	21%	0.213	33%	0.334	C	S	.	.	S	Bend	trans	-72.7	152.4	179.5	-68.4	-169	-173.5	173.6	0	111.2	E709 W710 I718 R741	E709-K713 IonicContact OE1-NZ 3.73Å; E709-K713 PolarHBondContact OE1-NZ 3.44Å; W710-K713 HydrophobicContact CD2-CD 3.98Å; W710-K713 HydrophobicContact CE3-CD 3.79Å; W710-K713 HydrophobicContact CG-CD 4.5Å; W710-K713 HydrophobicContact CH2-CD 4.4Å; W710-K713 HydrophobicContact CZ3-CD 4Å; W710-K713 PolarHBondContact O-N 3.43Å; K713-I718 HydrophobicContact CB-CG1 4.19Å; K713-I718 WeakPolarHBondContact O-CD1 3.39Å; K713-R741 PolarHBondContact O-NH1 3.29Å
714	P	88.3	Confident	82.4	Confident	48 Å²	48	71.7 Å²	71.7	31%	0.312	35%	0.351	S	S	.	.			trans	-68.1	149.3	178.5	27.2	-33	0	0	0	111.8	Y716 E717 I718	P714-Y716 HydrophobicContact CB-CD1 3.76Å; P714-Y716 HydrophobicContact CB-CE1 3.42Å; P714-Y716 VanDerWaalsContact CB-CE1 3.42Å; P714-Y716 HydrophobicContact CG-CD1 4.03Å; P714-Y716 HydrophobicContact CG-CE1 3.33Å; P714-Y716 PolarHBondContact O-N 3.09Å; P714-Y716 VanDerWaalsContact O-N 3.12Å; P714-E717 HydrophobicContact CG-CB 4.32Å; P714-E717 HydrophobicContact CG-CG 3.85Å; P714-E717 PolarHBondContact O-N 3.08Å; P714-I718 PolarHBondContact O-N 2.87Å
715	T	85.1	Confident	82.8	Confident	27 Å²	27	66 Å²	66	17%	0.166	33%	0.325	C	S	.	.	H	α-helix	trans	-54.9	-35.6	-172	-54.4	0	0	0	0	113	E717 I718 L719 L738 R741 E742 F746	T715-E717 PolarHBondContact O-N 3.09Å; T715-I718 PolarHBondContact O-N 3.16Å; T715-L719 HydrophobicContact CG2-CD1 4.3Å; T715-L719 WeakPolarHBondContact O-CB 3.42Å; T715-L719 PolarHBondContact O-N 3.34Å; T715-L738 HydrophobicContact CG2-CD2 3.68Å; T715-R741 VanDerWaalsContact N-NH1 3.17Å; T715-R741 VanDerWaalsContact OG1-CD 3.31Å; T715-R741 WeakPolarHBondContact OG1-CD 3.42Å; T715-R741 PolarHBondContact OG1-NH1 3.04Å; T715-R741 VanDerWaalsContact OG1-NH1 3.12Å; T715-E742 HydrophobicContact CG2-CG 4.15Å; T715-E742 WeakPolarHBondContact CG2-OE1 3.29Å; T715-E742 PolarHBondContact OG1-OE1 3.05Å; T715-F746 HydrophobicContact CG2-CZ 4.36Å
716	Y	84.8	Confident	82.9	Confident	144 Å²	144	71.9 Å²	71.9	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-66	-36.1	178.9	73.5	-93.5	0	0	0	113.1	P714 L719 Q720	P714-Y716 HydrophobicContact CB-CD1 3.76Å; P714-Y716 HydrophobicContact CB-CE1 3.42Å; P714-Y716 VanDerWaalsContact CB-CE1 3.42Å; P714-Y716 HydrophobicContact CG-CD1 4.03Å; P714-Y716 HydrophobicContact CG-CE1 3.33Å; P714-Y716 PolarHBondContact O-N 3.09Å; P714-Y716 VanDerWaalsContact O-N 3.12Å; Y716-L719 PolarHBondContact O-N 3.46Å; Y716-Q720 WeakPolarHBondContact O-CB 3.35Å; Y716-Q720 PolarHBondContact O-N 3.15Å
717	E	87.1	Confident	83.3	Confident	68 Å²	68	69.5 Å²	69.5	32%	0.318	34%	0.34	S	S	.	.	H	α-helix	trans	-70.5	-38.4	176.7	-70	-179.3	-161.4	0	0	111.3	P714 T715 Q720 K721	P714-E717 HydrophobicContact CG-CB 4.32Å; P714-E717 HydrophobicContact CG-CG 3.85Å; P714-E717 PolarHBondContact O-N 3.08Å; T715-E717 PolarHBondContact O-N 3.09Å; E717-Q720 PolarHBondContact O-N 2.94Å; E717-K721 WeakPolarHBondContact O-CB 3.45Å; E717-K721 PolarHBondContact O-N 3.35Å
718	I	86.1	Confident	83.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-44.4	176.6	-60.5	169.6	0	0	0	109.6	W710 K713 P714 T715 K721 F722 L734 I737 L738	W710-I718 HydrophobicContact CE3-CG1 4.41Å; K713-I718 HydrophobicContact CB-CG1 4.19Å; K713-I718 WeakPolarHBondContact O-CD1 3.39Å; P714-I718 PolarHBondContact O-N 2.87Å; T715-I718 PolarHBondContact O-N 3.16Å; I718-K721 PolarHBondContact O-N 3.15Å; I718-F722 WeakPolarHBondContact O-CB 3.19Å; I718-F722 PolarHBondContact O-N 3.2Å; I718-L734 HydrophobicContact CG2-CB 4.11Å; I718-L734 HydrophobicContact CG2-CD2 3.84Å; I718-I737 HydrophobicContact CD1-CG2 3.78Å; I718-L738 HydrophobicContact CB-CD2 4.05Å; I718-L738 HydrophobicContact CG2-CD1 4.09Å; I718-L738 HydrophobicContact CG2-CD2 3.65Å; I718-L738 HydrophobicContact CG2-CG 3.61Å
719	L	84.3	Confident	84.1	Confident	38 Å²	38	59.7 Å²	59.7	20%	0.199	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-44.5	175.1	-85.4	171.8	0	0	0	112.7	T715 Y716 F722 H723 L738 F746 A748	T715-L719 HydrophobicContact CG2-CD1 4.3Å; T715-L719 WeakPolarHBondContact O-CB 3.42Å; T715-L719 PolarHBondContact O-N 3.34Å; Y716-L719 PolarHBondContact O-N 3.46Å; L719-F722 PolarHBondContact O-N 2.86Å; L719-H723 PolarHBondContact O-CD2 2.69Å; L719-H723 PolarHBondContact O-N 2.96Å; L719-L738 HydrophobicContact CD2-CD1 3.85Å; L719-L738 HydrophobicContact CG-CD1 4.26Å; L719-L738 HydrophobicContact CG-CD2 4.19Å; L719-F746 HydrophobicContact CD1-CE1 4.33Å; L719-F746 HydrophobicContact CD1-CZ 4.06Å; L719-F746 HydrophobicContact CD2-CE1 4.16Å; L719-A748 HydrophobicContact CD2-CB 4Å
720	Q	85.1	Confident	84.2	Confident	118 Å²	118	54.5 Å²	54.5	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-60.8	-50.5	177.4	-175.4	172.9	2.3	0	0	110.5	Y716 E717 F722 H723 D724	Y716-Q720 WeakPolarHBondContact O-CB 3.35Å; Y716-Q720 PolarHBondContact O-N 3.15Å; E717-Q720 PolarHBondContact O-N 2.94Å; Q720-F722 VanDerWaalsContact C-N 3.3Å; Q720-F722 PolarHBondContact O-N 3.07Å; Q720-H723 PolarHBondContact O-N 3.33Å; Q720-D724 WeakPolarHBondContact CG-OD2 3.39Å; Q720-D724 WeakPolarHBondContact O-CB 3.39Å; Q720-D724 PolarHBondContact O-N 3.06Å
721	K	87.1	Confident	84.3	Confident	59 Å²	59	54 Å²	54	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-36.6	176.3	-174.5	67.8	177.9	170.3	0	112.1	E704 W710 E717 I718 H723 D724 C725 L734	E704-K721 IonicContact OE2-NZ 2.63Å; E704-K721 PolarHBondContact OE2-NZ 3.09Å; W710-K721 HydrophobicContact CE3-CB 4.4Å; W710-K721 HydrophobicContact CE3-CG 4.45Å; W710-K721 HydrophobicContact CH2-CB 3.53Å; W710-K721 HydrophobicContact CH2-CD 3.81Å; W710-K721 HydrophobicContact CH2-CG 3.39Å; W710-K721 HydrophobicContact CZ2-CD 4.22Å; W710-K721 HydrophobicContact CZ2-CG 3.99Å; W710-K721 HydrophobicContact CZ3-CB 3.42Å; W710-K721 VanDerWaalsContact CZ3-CB 3.42Å; W710-K721 HydrophobicContact CZ3-CG 3.66Å; E717-K721 WeakPolarHBondContact O-CB 3.45Å; E717-K721 PolarHBondContact O-N 3.35Å; I718-K721 PolarHBondContact O-N 3.15Å; K721-H723 VanDerWaalsContact C-N 3.33Å; K721-H723 PolarHBondContact O-N 3.22Å; K721-D724 PolarHBondContact O-N 3.02Å; K721-C725 WeakPolarHBondContact O-CB 3.35Å; K721-C725 PolarHBondContact O-N 3.07Å; K721-L734 HydrophobicContact CB-CD1 4.07Å; K721-L734 HydrophobicContact CG-CD1 3.7Å
722	F	84.6	Confident	84.4	Confident	3 Å²	3	49.2 Å²	49.2	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-42.2	178.2	174.4	-101.7	0	0	0	111.8	I718 L719 Q720 Q731 L734 A735 L753 E756 I760	I718-F722 WeakPolarHBondContact O-CB 3.19Å; I718-F722 PolarHBondContact O-N 3.2Å; L719-F722 PolarHBondContact O-N 2.86Å; Q720-F722 VanDerWaalsContact C-N 3.3Å; Q720-F722 PolarHBondContact O-N 3.07Å; F722-Q731 HydrophobicContact CD2-CB 4.11Å; F722-Q731 HydrophobicContact CD2-CG 4.38Å; F722-Q731 WeakPolarHBondContact CD2-O 3.4Å; F722-Q731 HydrophobicContact CE2-CB 3.89Å; F722-Q731 HydrophobicContact CE2-CG 4.44Å; F722-Q731 VanDerWaalsContact CE2-O 3.25Å; F722-Q731 WeakPolarHBondContact CE2-O 3.46Å; F722-Q731 PolarHBondContact O-NE2 3.04Å; F722-Q731 VanDerWaalsContact O-NE2 3.11Å; F722-L734 HydrophobicContact CB-CB 4.15Å; F722-L734 HydrophobicContact CB-CD1 4.14Å; F722-L734 HydrophobicContact CD2-CB 4.02Å; F722-A735 HydrophobicContact CD2-CB 4.37Å; F722-A735 HydrophobicContact CE2-CB 3.78Å; F722-A735 HydrophobicContact CZ-CB 4.43Å; F722-L753 HydrophobicContact CZ-CD1 4.5Å; F722-E756 HydrophobicContact CE1-CG 4.06Å; F722-E756 HydrophobicContact CZ-CG 3.7Å; F722-I760 HydrophobicContact CE2-CD1 3.82Å; F722-I760 HydrophobicContact CZ-CD1 3.87Å
723	H	82.8	Confident	84.5	Confident	69 Å²	69	43.2 Å²	43.2	32%	0.319	21%	0.211	S	C	.	.	H	α-helix	trans	-75.9	-35.1	176.9	-68.3	-53.3	0	0	0	113.5	L719 Q720 K721 C725	L719-H723 PolarHBondContact O-CD2 2.69Å; L719-H723 PolarHBondContact O-N 2.96Å; Q720-H723 PolarHBondContact O-N 3.33Å; K721-H723 VanDerWaalsContact C-N 3.33Å; K721-H723 PolarHBondContact O-N 3.22Å; H723-C725 VanDerWaalsContact C-N 3.34Å
724	D	83.8	Confident	84.4	Confident	105 Å²	105	40.9 Å²	40.9	56%	0.561	20%	0.201	S	C	*	.	H	α-helix	trans	-79.8	-18.3	-178.3	-66.7	-16.5	0	0	0	112.7	Q720 K721	Q720-D724 WeakPolarHBondContact CG-OD2 3.39Å; Q720-D724 WeakPolarHBondContact O-CB 3.39Å; Q720-D724 PolarHBondContact O-N 3.06Å; K721-D724 PolarHBondContact O-N 3.02Å
725	C	81.2	Confident	84.1	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.02	19%	0.186	C	C	.	.			trans	-80.4	128.1	-176.4	-169.8	0	0	0	0	112.2	K721 H723 C727 S730 Q731	K721-C725 WeakPolarHBondContact O-CB 3.35Å; K721-C725 PolarHBondContact O-N 3.07Å; H723-C725 VanDerWaalsContact C-N 3.34Å; C725-C727 PolarHBondContact SG-N 2.72Å; C725-C727 VanDerWaalsContact SG-N 3.4Å; C725-S730 WeakPolarHBondContact SG-CB 3.4Å; C725-Q731 HydrophobicContact CB-CG 4.13Å; C725-Q731 VanDerWaalsContact O-CD 3.28Å; C725-Q731 PolarHBondContact O-NE2 2.87Å
726	N	77.3	Confident	84	Confident	138 Å²	138	38 Å²	38	74%	0.738	18%	0.183	S	C	*	.			trans	-90.9	-13.2	173.5	-69.4	-43.8	0	0	0	113.3	L728	N726-L728 PolarHBondContact O-N 2.87Å
727	C	83.8	Confident	83.9	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.02	16%	0.159	C	C	.	.			trans	-80.6	113.2	178.4	178.1	0	0	0	0	110.2	E704 C725 A729 S730 Q731	E704-C727 HydrophobicContact CG-CB 4.4Å; C725-C727 PolarHBondContact SG-N 2.72Å; C725-C727 VanDerWaalsContact SG-N 3.4Å; C727-A729 PolarHBondContact O-N 3.24Å; C727-S730 PolarHBondContact O-N 3.14Å; C727-Q731 WeakPolarHBondContact O-CG 3.41Å; C727-Q731 PolarHBondContact O-N 2.99Å
728	L	84.2	Confident	83.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-29.9	-177.9	-73.6	166.7	0	0	0	112.5	N726 A732 I760 R763 A764 L769 A772	N726-L728 PolarHBondContact O-N 2.87Å; L728-A732 WeakPolarHBondContact O-CB 3.36Å; L728-A732 PolarHBondContact O-N 3.47Å; L728-I760 HydrophobicContact CD2-CG1 4.43Å; L728-I760 HydrophobicContact CD2-CG2 4.18Å; L728-R763 HydrophobicContact CD1-CB 4.26Å; L728-R763 HydrophobicContact CD2-CB 4.44Å; L728-A764 HydrophobicContact CD1-CB 4.33Å; L728-L769 HydrophobicContact CB-CD1 4.24Å; L728-L769 HydrophobicContact CD1-CD1 3.79Å; L728-A772 HydrophobicContact CB-CB 4.2Å
729	A	81.1	Confident	83.7	Confident	4 Å²	4	30 Å²	30	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-44.4	176.2	0	0	0	0	0	111.4	P703 C727 A732 Q733 A772	P703-A729 HydrophobicContact CG-CB 4.48Å; C727-A729 PolarHBondContact O-N 3.24Å; A729-A732 PolarHBondContact O-N 3.19Å; A729-Q733 WeakPolarHBondContact O-CG 3.45Å; A729-Q733 PolarHBondContact O-N 3.34Å; A729-A772 HydrophobicContact CB-CB 4.06Å
730	S	84.7	Confident	83.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-39.6	174.3	-65.6	0	0	0	0	112.1	P703 E704 I705 C725 C727 Q733 L734	P703-S730 WeakPolarHBondContact CA-OG 3.32Å; E704-S730 PolarHBondContact N-OG 3.01Å; I705-S730 WeakPolarHBondContact CD1-O 3.35Å; C725-S730 WeakPolarHBondContact SG-CB 3.4Å; C727-S730 PolarHBondContact O-N 3.14Å; S730-Q733 PolarHBondContact O-N 3.26Å; S730-L734 VanDerWaalsContact O-CG 3.31Å; S730-L734 WeakPolarHBondContact O-CG 3.11Å; S730-L734 PolarHBondContact O-N 2.91Å
731	Q	86.4	Confident	83.5	Confident	18 Å²	18	34 Å²	34	8%	0.084	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-46.9	173.5	-71.7	-172.4	-45.5	0	0	111.6	F722 C725 C727 Q733 L734 A735 I760	F722-Q731 HydrophobicContact CD2-CB 4.11Å; F722-Q731 HydrophobicContact CD2-CG 4.38Å; F722-Q731 WeakPolarHBondContact CD2-O 3.4Å; F722-Q731 HydrophobicContact CE2-CB 3.89Å; F722-Q731 HydrophobicContact CE2-CG 4.44Å; F722-Q731 VanDerWaalsContact CE2-O 3.25Å; F722-Q731 WeakPolarHBondContact CE2-O 3.46Å; F722-Q731 PolarHBondContact O-NE2 3.04Å; F722-Q731 VanDerWaalsContact O-NE2 3.11Å; C725-Q731 HydrophobicContact CB-CG 4.13Å; C725-Q731 VanDerWaalsContact O-CD 3.28Å; C725-Q731 PolarHBondContact O-NE2 2.87Å; C727-Q731 WeakPolarHBondContact O-CG 3.41Å; C727-Q731 PolarHBondContact O-N 2.99Å; Q731-Q733 VanDerWaalsContact C-N 3.32Å; Q731-Q733 PolarHBondContact O-N 2.86Å; Q731-L734 PolarHBondContact O-N 2.87Å; Q731-A735 VanDerWaalsContact O-CB 3.32Å; Q731-A735 WeakPolarHBondContact O-CB 3.48Å; Q731-A735 PolarHBondContact O-N 3.41Å; Q731-I760 HydrophobicContact CB-CD1 4.01Å
732	A	83.9	Confident	83.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-39.9	176.9	0	0	0	0	0	112.3	L728 A729 C736 I760 H775 I779	L728-A732 WeakPolarHBondContact O-CB 3.36Å; L728-A732 PolarHBondContact O-N 3.47Å; A729-A732 PolarHBondContact O-N 3.19Å; A732-C736 PolarHBondContact O-N 3.45Å; A732-I760 HydrophobicContact CB-CG2 4.28Å; A732-H775 HydrophobicContact CB-CB 4.03Å; A732-I779 VanDerWaalsContact O-CD1 3.26Å; A732-I779 WeakPolarHBondContact O-CD1 3.3Å
733	Q	84.4	Confident	83.2	Confident	14 Å²	14	36 Å²	36	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-44.2	176.9	-75.9	178	-5.9	0	0	112.8	P703 I705 V707 A729 S730 Q731 A735 C736 I737	P703-Q733 VanDerWaalsContact CB-OE1 3.24Å; P703-Q733 VanDerWaalsContact CG-NE2 3.3Å; I705-Q733 HydrophobicContact CD1-CB 3.95Å; I705-Q733 HydrophobicContact CG1-CB 4.48Å; I705-Q733 VanDerWaalsContact CG1-OE1 3.29Å; I705-Q733 PolarHBondContact O-OE1 2.91Å; V707-Q733 HydrophobicContact CG2-CB 4.44Å; V707-Q733 HydrophobicContact CG2-CG 4.28Å; A729-Q733 WeakPolarHBondContact O-CG 3.45Å; A729-Q733 PolarHBondContact O-N 3.34Å; S730-Q733 PolarHBondContact O-N 3.26Å; Q731-Q733 VanDerWaalsContact C-N 3.32Å; Q731-Q733 PolarHBondContact O-N 2.86Å; Q733-A735 VanDerWaalsContact C-N 3.35Å; Q733-C736 VanDerWaalsContact O-CB 3.31Å; Q733-C736 WeakPolarHBondContact O-CB 3.37Å; Q733-C736 PolarHBondContact O-N 3.05Å; Q733-I737 WeakPolarHBondContact O-CG1 3.39Å; Q733-I737 PolarHBondContact O-N 3.29Å; Q733-I737 VanDerWaalsContact O-N 3.12Å
734	L	86.2	Confident	82.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-41.2	176	-66.8	163.4	0	0	0	111	I705 W710 I718 K721 F722 S730 Q731 C736 I737 L738	I705-L734 HydrophobicContact CD1-CD1 3.93Å; I705-L734 HydrophobicContact CD1-CD2 3.58Å; I705-L734 HydrophobicContact CD1-CG 3.36Å; W710-L734 HydrophobicContact CB-CD2 4.43Å; W710-L734 HydrophobicContact CD2-CD2 4.06Å; W710-L734 HydrophobicContact CE3-CD2 3.67Å; W710-L734 HydrophobicContact CG-CD2 4.39Å; W710-L734 HydrophobicContact CZ3-CD2 4.35Å; I718-L734 HydrophobicContact CG2-CB 4.11Å; I718-L734 HydrophobicContact CG2-CD2 3.84Å; K721-L734 HydrophobicContact CB-CD1 4.07Å; K721-L734 HydrophobicContact CG-CD1 3.7Å; F722-L734 HydrophobicContact CB-CB 4.15Å; F722-L734 HydrophobicContact CB-CD1 4.14Å; F722-L734 HydrophobicContact CD2-CB 4.02Å; S730-L734 VanDerWaalsContact O-CG 3.31Å; S730-L734 WeakPolarHBondContact O-CG 3.11Å; S730-L734 PolarHBondContact O-N 2.91Å; Q731-L734 PolarHBondContact O-N 2.87Å; L734-C736 VanDerWaalsContact C-N 3.3Å; L734-C736 PolarHBondContact O-N 2.96Å; L734-I737 PolarHBondContact O-N 3.09Å; L734-I737 VanDerWaalsContact O-N 3.15Å; L734-L738 WeakPolarHBondContact O-CG 3.2Å; L734-L738 PolarHBondContact O-N 3.49Å
735	A	83.3	Confident	82.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-36.7	174.5	0	0	0	0	0	112.2	F722 Q731 Q733 L738 L739 L753 L757	F722-A735 HydrophobicContact CD2-CB 4.37Å; F722-A735 HydrophobicContact CE2-CB 3.78Å; F722-A735 HydrophobicContact CZ-CB 4.43Å; Q731-A735 VanDerWaalsContact O-CB 3.32Å; Q731-A735 WeakPolarHBondContact O-CB 3.48Å; Q731-A735 PolarHBondContact O-N 3.41Å; Q733-A735 VanDerWaalsContact C-N 3.35Å; A735-L738 PolarHBondContact O-N 3.35Å; A735-L739 VanDerWaalsContact O-CB 3.24Å; A735-L739 WeakPolarHBondContact O-CB 3.37Å; A735-L739 PolarHBondContact O-N 3.21Å; A735-L753 HydrophobicContact CB-CD1 4.16Å; A735-L757 HydrophobicContact CB-CD1 4.42Å; A735-L757 HydrophobicContact CB-CD2 3.52Å; A735-L757 HydrophobicContact CB-CG 3.99Å
736	C	81	Confident	82.6	Confident	15 Å²	15	39.6 Å²	39.6	10%	0.101	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-46.6	171.6	-175.9	0	0	0	0	111.6	A732 Q733 L734 L738 L739 R740 I779 E836	A732-C736 PolarHBondContact O-N 3.45Å; Q733-C736 VanDerWaalsContact O-CB 3.31Å; Q733-C736 WeakPolarHBondContact O-CB 3.37Å; Q733-C736 PolarHBondContact O-N 3.05Å; L734-C736 VanDerWaalsContact C-N 3.3Å; L734-C736 PolarHBondContact O-N 2.96Å; C736-L738 PolarHBondContact O-N 3.49Å; C736-L739 PolarHBondContact O-N 3.26Å; C736-R740 WeakPolarHBondContact O-CG 3.28Å; C736-R740 PolarHBondContact O-N 3.43Å; C736-I779 HydrophobicContact CB-CD1 3.58Å; C736-I779 HydrophobicContact CB-CG1 3.93Å; C736-E836 PolarHBondContact SG-OE2 2.78Å
737	I	84.3	Confident	82.5	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-45.7	178.6	-62	167.4	0	0	0	110.2	V707 W710 I718 Q733 L734 R740 R741	V707-I737 HydrophobicContact CG1-CD1 4.39Å; V707-I737 HydrophobicContact CG1-CG1 4.42Å; W710-I737 HydrophobicContact CB-CD1 3.83Å; I718-I737 HydrophobicContact CD1-CG2 3.78Å; Q733-I737 WeakPolarHBondContact O-CG1 3.39Å; Q733-I737 PolarHBondContact O-N 3.29Å; Q733-I737 VanDerWaalsContact O-N 3.12Å; L734-I737 PolarHBondContact O-N 3.09Å; L734-I737 VanDerWaalsContact O-N 3.15Å; I737-R740 PolarHBondContact O-N 2.83Å; I737-R741 WeakPolarHBondContact O-CB 3.05Å; I737-R741 PolarHBondContact O-N 2.64Å; I737-R741 VanDerWaalsContact O-N 3.15Å
738	L	85.7	Confident	81.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-47.2	176.8	-69.1	171.3	0	0	0	111.8	T715 I718 L719 L734 A735 C736 R740 R741 E742 L753	T715-L738 HydrophobicContact CG2-CD2 3.68Å; I718-L738 HydrophobicContact CB-CD2 4.05Å; I718-L738 HydrophobicContact CG2-CD1 4.09Å; I718-L738 HydrophobicContact CG2-CD2 3.65Å; I718-L738 HydrophobicContact CG2-CG 3.61Å; L719-L738 HydrophobicContact CD2-CD1 3.85Å; L719-L738 HydrophobicContact CG-CD1 4.26Å; L719-L738 HydrophobicContact CG-CD2 4.19Å; L734-L738 WeakPolarHBondContact O-CG 3.2Å; L734-L738 PolarHBondContact O-N 3.49Å; A735-L738 PolarHBondContact O-N 3.35Å; C736-L738 PolarHBondContact O-N 3.49Å; L738-R740 VanDerWaalsContact C-N 3.34Å; L738-R740 PolarHBondContact O-N 2.72Å; L738-R741 PolarHBondContact O-N 2.89Å; L738-R741 VanDerWaalsContact O-N 3.11Å; L738-E742 PolarHBondContact O-N 3.16Å; L738-L753 HydrophobicContact CB-CD2 3.89Å
739	L	83.2	Confident	80.9	Confident	32 Å²	32	45.8 Å²	45.8	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-40.7	-179.3	-168.6	77.2	0	0	0	112.1	A735 C736 R741 G743 P744 L753 M754 L757 I779	A735-L739 VanDerWaalsContact O-CB 3.24Å; A735-L739 WeakPolarHBondContact O-CB 3.37Å; A735-L739 PolarHBondContact O-N 3.21Å; C736-L739 PolarHBondContact O-N 3.26Å; L739-R741 VanDerWaalsContact C-N 3.29Å; L739-R741 PolarHBondContact O-N 3.33Å; L739-G743 VanDerWaalsContact O-CA 3.24Å; L739-G743 WeakPolarHBondContact O-CA 3.23Å; L739-G743 PolarHBondContact O-N 2.96Å; L739-P744 HydrophobicContact CD1-CB 4.19Å; L739-L753 HydrophobicContact CB-CD2 4.19Å; L739-L753 HydrophobicContact CD1-CD2 4.17Å; L739-M754 HydrophobicContact CD1-SD 3.94Å; L739-M754 HydrophobicContact CD2-SD 4.38Å; L739-L757 HydrophobicContact CD2-CD1 4.46Å; L739-I779 HydrophobicContact CD2-CG2 3.39Å
740	R	80.2	Confident	80.3	Confident	118 Å²	118	53 Å²	53	45%	0.445	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-30.3	176.4	-74.1	178.8	179.8	177.7	2.6	112.7	C736 I737 L738 E836	C736-R740 WeakPolarHBondContact O-CG 3.28Å; C736-R740 PolarHBondContact O-N 3.43Å; I737-R740 PolarHBondContact O-N 2.83Å; L738-R740 VanDerWaalsContact C-N 3.34Å; L738-R740 PolarHBondContact O-N 2.72Å; R740-E836 IonicContact CZ-OE1 2.9Å; R740-E836 IonicContact NE-OE1 2.77Å; R740-E836 PolarHBondContact NE-OE1 2.63Å; R740-E836 IonicContact NH2-OE1 2.77Å; R740-E836 PolarHBondContact NH2-OE1 2.91Å; R740-E836 IonicContact NH2-OE2 2.97Å
741	R	84.8	Confident	79.7	Confident	121 Å²	121	57.7 Å²	57.7	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-86.4	-46.2	-176.4	-165.8	-176.7	-153.7	160.3	16.3	112.8	K713 T715 I737 L738 L739	K713-R741 PolarHBondContact O-NH1 3.29Å; T715-R741 VanDerWaalsContact N-NH1 3.17Å; T715-R741 VanDerWaalsContact OG1-CD 3.31Å; T715-R741 WeakPolarHBondContact OG1-CD 3.42Å; T715-R741 PolarHBondContact OG1-NH1 3.04Å; T715-R741 VanDerWaalsContact OG1-NH1 3.12Å; I737-R741 WeakPolarHBondContact O-CB 3.05Å; I737-R741 PolarHBondContact O-N 2.64Å; I737-R741 VanDerWaalsContact O-N 3.15Å; L738-R741 PolarHBondContact O-N 2.89Å; L738-R741 VanDerWaalsContact O-N 3.11Å; L739-R741 VanDerWaalsContact C-N 3.29Å; L739-R741 PolarHBondContact O-N 3.33Å
742	E	83.6	Confident	79.5	Confident	86 Å²	86	59 Å²	59	40%	0.402	29%	0.292	S	S	.	.	H	α-helix	trans	-108.1	-14.8	-168.7	-51.7	-65.6	161.1	0	0	112.9	T715 L738 F746	T715-E742 HydrophobicContact CG2-CG 4.15Å; T715-E742 WeakPolarHBondContact CG2-OE1 3.29Å; T715-E742 PolarHBondContact OG1-OE1 3.05Å; L738-E742 PolarHBondContact O-N 3.16Å; E742-F746 HydrophobicContact CB-CB 3.85Å; E742-F746 HydrophobicContact CB-CD1 4.34Å; E742-F746 HydrophobicContact CB-CD2 3.38Å; E742-F746 HydrophobicContact CB-CE2 3.96Å; E742-F746 HydrophobicContact CB-CG 3.59Å; E742-F746 HydrophobicContact CG-CD2 3.78Å; E742-F746 HydrophobicContact CG-CE2 3.79Å; E742-F746 HydrophobicContact CG-CG 4.16Å; E742-F746 HydrophobicContact CG-CZ 4.2Å
743	G	80.4	Confident	79.5	Confident	20 Å²	20	59.1 Å²	59.1	21%	0.206	29%	0.293	C	S	.	.			trans	89.4	176	-179.8	0	0	0	0	0	114.9	L739 D745 F746	L739-G743 VanDerWaalsContact O-CA 3.24Å; L739-G743 WeakPolarHBondContact O-CA 3.23Å; L739-G743 PolarHBondContact O-N 2.96Å; G743-D745 PolarHBondContact O-N 2.89Å; G743-F746 WeakPolarHBondContact O-CB 3.42Å; G743-F746 PolarHBondContact O-N 2.74Å
744	P	77.1	Confident	79.4	Confident	72 Å²	72	61.2 Å²	61.2	47%	0.468	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.8	-173.6	29.3	-35	0	0	0	115.1	L739 F746 M754	L739-P744 HydrophobicContact CD1-CB 4.19Å; P744-F746 PolarHBondContact O-N 2.91Å; P744-M754 HydrophobicContact CB-CG 4.34Å
745	D	78.9	Confident	79.3	Confident	137 Å²	137	65.9 Å²	65.9	73%	0.733	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	8.1	179.9	-58.5	-44.9	0	0	0	112.6	G743 L747	G743-D745 PolarHBondContact O-N 2.89Å; D745-L747 PolarHBondContact O-N 3.34Å
746	F	79.6	Confident	79.3	Confident	42 Å²	42	67.3 Å²	67.3	18%	0.184	34%	0.335	C	S	.	.			trans	-67.1	127	-179.6	-175.4	-107.4	0	0	0	111.5	T715 L719 E742 G743 P744 A748 L753	T715-F746 HydrophobicContact CG2-CZ 4.36Å; L719-F746 HydrophobicContact CD1-CE1 4.33Å; L719-F746 HydrophobicContact CD1-CZ 4.06Å; L719-F746 HydrophobicContact CD2-CE1 4.16Å; E742-F746 HydrophobicContact CB-CB 3.85Å; E742-F746 HydrophobicContact CB-CD1 4.34Å; E742-F746 HydrophobicContact CB-CD2 3.38Å; E742-F746 HydrophobicContact CB-CE2 3.96Å; E742-F746 HydrophobicContact CB-CG 3.59Å; E742-F746 HydrophobicContact CG-CD2 3.78Å; E742-F746 HydrophobicContact CG-CE2 3.79Å; E742-F746 HydrophobicContact CG-CG 4.16Å; E742-F746 HydrophobicContact CG-CZ 4.2Å; G743-F746 WeakPolarHBondContact O-CB 3.42Å; G743-F746 PolarHBondContact O-N 2.74Å; P744-F746 PolarHBondContact O-N 2.91Å; F746-A748 HydrophobicContact CE1-CB 4.48Å; F746-L753 HydrophobicContact CD1-CD2 4.29Å; F746-L753 WeakPolarHBondContact O-CB 3.34Å; F746-L753 PolarHBondContact O-N 3.35Å; F746-L753 VanDerWaalsContact O-N 3.14Å
747	L	75	Confident	79.5	Confident	102 Å²	102	66.6 Å²	66.6	53%	0.534	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.4	178.2	-65.5	172.4	0	0	0	110.2	D745 E751 N752	D745-L747 PolarHBondContact O-N 3.34Å; L747-E751 CarbonylContact C-O 3.51Å; L747-E751 WeakPolarHBondContact CA-O 3.26Å; L747-N752 HydrophobicContact CD2-CB 4.42Å
748	A	68	Low	79.6	Confident	11 Å²	11	67.8 Å²	67.8	9%	0.091	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	109.5	170.3	0	0	0	0	0	108.7	L719 F746 D750 E751	L719-A748 HydrophobicContact CD2-CB 4Å; F746-A748 HydrophobicContact CE1-CB 4.48Å; A748-D750 PolarHBondContact O-N 2.49Å; A748-E751 PolarHBondContact N-O 2.89Å; A748-E751 PolarHBondContact O-N 3.49Å
749	K	67.4	Low	79.6	Confident	158 Å²	158	72.1 Å²	72.1	69%	0.687	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	51.5	-176.1	-65.7	-178	176.7	174.4	0	113.3	E751	K749-E751 PolarHBondContact O-N 2.98Å; K749-E751 VanDerWaalsContact O-N 3.16Å
750	D	67.7	Low	79.8	Confident	155 Å²	155	70.6 Å²	70.6	83%	0.829	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	5.6	179.1	-51.7	-45.1	0	0	0	116	A748	A748-D750 PolarHBondContact O-N 2.49Å
751	E	73.1	Confident	80.2	Confident	100 Å²	100	65.1 Å²	65.1	47%	0.467	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.6	170.8	-67.6	-173.6	164.8	0	0	111.4	L747 A748 K749 L753 R759	L747-E751 CarbonylContact C-O 3.51Å; L747-E751 WeakPolarHBondContact CA-O 3.26Å; A748-E751 PolarHBondContact N-O 2.89Å; A748-E751 PolarHBondContact O-N 3.49Å; K749-E751 PolarHBondContact O-N 2.98Å; K749-E751 VanDerWaalsContact O-N 3.16Å; E751-L753 PolarHBondContact O-N 2.83Å; E751-R759 IonicContact OE1-NH1 3.5Å; E751-R759 IonicContact OE2-CZ 3.06Å; E751-R759 IonicContact OE2-NH1 3.66Å; E751-R759 PolarHBondContact OE2-NH1 3.28Å; E751-R759 IonicContact OE2-NH2 3.05Å; E751-R759 PolarHBondContact OE2-NH2 2.54Å
752	N	82.7	Confident	80.2	Confident	46 Å²	46	66.7 Å²	66.7	25%	0.246	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.9	177.4	-173.5	-45.2	0	0	0	110.4	L747 M754 D755 E756	L747-N752 HydrophobicContact CD2-CB 4.42Å; N752-M754 PolarHBondContact O-N 3.24Å; N752-M754 WeakPolarHBondContact OD1-CA 3.35Å; N752-M754 VanDerWaalsContact OD1-CB 3.22Å; N752-M754 WeakPolarHBondContact OD1-CB 3.47Å; N752-M754 PolarHBondContact OD1-N 3.34Å; N752-D755 HydrophobicContact CB-CB 4.33Å; N752-D755 WeakPolarHBondContact O-CB 3.24Å; N752-D755 PolarHBondContact O-N 3.1Å; N752-E756 PolarHBondContact O-N 3.18Å; N752-E756 VanDerWaalsContact O-N 3.13Å
753	L	82.4	Confident	80.2	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-57.7	-32.7	179.2	-176.6	63.9	0	0	0	112.7	F722 A735 L738 L739 F746 E751 E756 L757	F722-L753 HydrophobicContact CZ-CD1 4.5Å; A735-L753 HydrophobicContact CB-CD1 4.16Å; L738-L753 HydrophobicContact CB-CD2 3.89Å; L739-L753 HydrophobicContact CB-CD2 4.19Å; L739-L753 HydrophobicContact CD1-CD2 4.17Å; F746-L753 HydrophobicContact CD1-CD2 4.29Å; F746-L753 WeakPolarHBondContact O-CB 3.34Å; F746-L753 PolarHBondContact O-N 3.35Å; F746-L753 VanDerWaalsContact O-N 3.14Å; E751-L753 PolarHBondContact O-N 2.83Å; L753-E756 PolarHBondContact O-N 3.04Å; L753-L757 HydrophobicContact CG-CD1 4.47Å; L753-L757 WeakPolarHBondContact O-CB 3.44Å; L753-L757 WeakPolarHBondContact O-CG 3.38Å; L753-L757 PolarHBondContact O-N 2.97Å
754	M	82.9	Confident	80.5	Confident	59 Å²	59	66.5 Å²	66.5	29%	0.291	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-37.6	174.9	-68.3	-65	-64	0	0	112.4	L739 P744 N752 L757 E758 T780	L739-M754 HydrophobicContact CD1-SD 3.94Å; L739-M754 HydrophobicContact CD2-SD 4.38Å; P744-M754 HydrophobicContact CB-CG 4.34Å; N752-M754 PolarHBondContact O-N 3.24Å; N752-M754 WeakPolarHBondContact OD1-CA 3.35Å; N752-M754 VanDerWaalsContact OD1-CB 3.22Å; N752-M754 WeakPolarHBondContact OD1-CB 3.47Å; N752-M754 PolarHBondContact OD1-N 3.34Å; M754-L757 PolarHBondContact O-N 2.72Å; M754-L757 HydrophobicContact SD-CD1 4.19Å; M754-E758 WeakPolarHBondContact O-CB 3.28Å; M754-E758 PolarHBondContact O-N 3Å; M754-T780 HydrophobicContact CE-CG2 3.99Å
755	D	83.9	Confident	80.9	Confident	97 Å²	97	63.1 Å²	63.1	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-70.4	-34.3	176.4	-69.8	-30.4	0	0	0	111.6	N752 R759	N752-D755 HydrophobicContact CB-CB 4.33Å; N752-D755 WeakPolarHBondContact O-CB 3.24Å; N752-D755 PolarHBondContact O-N 3.1Å; D755-R759 WeakPolarHBondContact O-CG 3.38Å; D755-R759 PolarHBondContact O-N 2.78Å; D755-R759 PolarHBondContact O-NE 3.22Å
756	E	84.1	Confident	81	Confident	30 Å²	30	58.6 Å²	58.6	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-41	171.8	-176.3	59.5	-157.9	0	0	111.5	F722 N752 L753 E758 R759 I760	F722-E756 HydrophobicContact CE1-CG 4.06Å; F722-E756 HydrophobicContact CZ-CG 3.7Å; N752-E756 PolarHBondContact O-N 3.18Å; N752-E756 VanDerWaalsContact O-N 3.13Å; L753-E756 PolarHBondContact O-N 3.04Å; E756-E758 VanDerWaalsContact C-N 3.32Å; E756-E758 PolarHBondContact O-N 3.27Å; E756-R759 CarbonylContact O-C 3.56Å; E756-R759 WeakPolarHBondContact O-CB 3.39Å; E756-R759 PolarHBondContact O-N 2.97Å; E756-R759 VanDerWaalsContact O-N 3.13Å; E756-R759 IonicContact OE2-CZ 2.67Å; E756-R759 IonicContact OE2-NE 3.88Å; E756-R759 PolarHBondContact OE2-NE 2.87Å; E756-R759 IonicContact OE2-NH1 3.19Å; E756-R759 PolarHBondContact OE2-NH1 3.02Å; E756-R759 IonicContact OE2-NH2 2.81Å; E756-R759 PolarHBondContact OE2-NH2 2.97Å; E756-I760 HydrophobicContact CG-CD1 4.22Å; E756-I760 WeakPolarHBondContact O-CG1 3.21Å; E756-I760 PolarHBondContact O-N 2.89Å
757	L	85.3	Confident	81.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-40.4	172.6	-83.8	169.5	0	0	0	112.3	A735 L739 L753 M754 R759 I760 Y761 I779 T780	A735-L757 HydrophobicContact CB-CD1 4.42Å; A735-L757 HydrophobicContact CB-CD2 3.52Å; A735-L757 HydrophobicContact CB-CG 3.99Å; L739-L757 HydrophobicContact CD2-CD1 4.46Å; L753-L757 HydrophobicContact CG-CD1 4.47Å; L753-L757 WeakPolarHBondContact O-CB 3.44Å; L753-L757 WeakPolarHBondContact O-CG 3.38Å; L753-L757 PolarHBondContact O-N 2.97Å; M754-L757 PolarHBondContact O-N 2.72Å; M754-L757 HydrophobicContact SD-CD1 4.19Å; L757-R759 VanDerWaalsContact C-N 3.32Å; L757-I760 PolarHBondContact O-N 2.68Å; L757-Y761 WeakPolarHBondContact O-CB 3.41Å; L757-Y761 PolarHBondContact O-N 3.24Å; L757-I779 HydrophobicContact CD1-CG2 3.68Å; L757-I779 HydrophobicContact CD2-CD1 4.34Å; L757-I779 HydrophobicContact CD2-CG2 4.4Å; L757-T780 HydrophobicContact CB-CG2 3.89Å; L757-T780 HydrophobicContact CD1-CG2 4.43Å
758	E	85.9	Confident	81.5	Confident	36 Å²	36	59.6 Å²	59.6	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-37.7	174.4	-176.2	65.3	-164.6	0	0	111.5	M754 E756 Y761 R762 K782	M754-E758 WeakPolarHBondContact O-CB 3.28Å; M754-E758 PolarHBondContact O-N 3Å; E756-E758 VanDerWaalsContact C-N 3.32Å; E756-E758 PolarHBondContact O-N 3.27Å; E758-Y761 WeakPolarHBondContact O-CB 3.33Å; E758-R762 WeakPolarHBondContact O-CG 3.39Å; E758-R762 PolarHBondContact O-N 2.89Å; E758-R762 IonicContact OE1-CZ 3.8Å; E758-R762 IonicContact OE1-NE 3.95Å; E758-R762 PolarHBondContact OE1-NE 3.03Å; E758-R762 IonicContact OE1-NH2 2.81Å; E758-R762 PolarHBondContact OE1-NH2 3Å; E758-K782 VanDerWaalsContact CD-NZ 3.34Å; E758-K782 IonicContact OE1-NZ 2.99Å; E758-K782 PolarHBondContact OE1-NZ 3.35Å; E758-K782 WeakPolarHBondContact OE2-CE 3.35Å; E758-K782 IonicContact OE2-NZ 3.92Å; E758-K782 PolarHBondContact OE2-NZ 3.34Å
759	R	86.3	Confident	82.3	Confident	91 Å²	91	59.9 Å²	59.9	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-43.8	172.3	-81.3	176.9	-83.3	163	-12.9	112.1	E751 D755 E756 L757 Y761 R762 R763	E751-R759 IonicContact OE1-NH1 3.5Å; E751-R759 IonicContact OE2-CZ 3.06Å; E751-R759 IonicContact OE2-NH1 3.66Å; E751-R759 PolarHBondContact OE2-NH1 3.28Å; E751-R759 IonicContact OE2-NH2 3.05Å; E751-R759 PolarHBondContact OE2-NH2 2.54Å; D755-R759 WeakPolarHBondContact O-CG 3.38Å; D755-R759 PolarHBondContact O-N 2.78Å; D755-R759 PolarHBondContact O-NE 3.22Å; E756-R759 CarbonylContact O-C 3.56Å; E756-R759 WeakPolarHBondContact O-CB 3.39Å; E756-R759 PolarHBondContact O-N 2.97Å; E756-R759 VanDerWaalsContact O-N 3.13Å; E756-R759 IonicContact OE2-CZ 2.67Å; E756-R759 IonicContact OE2-NE 3.88Å; E756-R759 PolarHBondContact OE2-NE 2.87Å; E756-R759 IonicContact OE2-NH1 3.19Å; E756-R759 PolarHBondContact OE2-NH1 3.02Å; E756-R759 IonicContact OE2-NH2 2.81Å; E756-R759 PolarHBondContact OE2-NH2 2.97Å; L757-R759 VanDerWaalsContact C-N 3.32Å; R759-Y761 VanDerWaalsContact C-N 3.34Å; R759-R762 PolarHBondContact O-N 3.26Å; R759-R763 WeakPolarHBondContact O-CB 3.48Å; R759-R763 VanDerWaalsContact O-CG 3.31Å; R759-R763 WeakPolarHBondContact O-CG 3.18Å; R759-R763 PolarHBondContact O-N 2.99Å
760	I	87.1	Confident	83.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-47.1	174.7	-69.9	166.2	0	0	0	109.7	F722 L728 Q731 A732 E756 L757 R762 R763 A764 A776	F722-I760 HydrophobicContact CE2-CD1 3.82Å; F722-I760 HydrophobicContact CZ-CD1 3.87Å; L728-I760 HydrophobicContact CD2-CG1 4.43Å; L728-I760 HydrophobicContact CD2-CG2 4.18Å; Q731-I760 HydrophobicContact CB-CD1 4.01Å; A732-I760 HydrophobicContact CB-CG2 4.28Å; E756-I760 HydrophobicContact CG-CD1 4.22Å; E756-I760 WeakPolarHBondContact O-CG1 3.21Å; E756-I760 PolarHBondContact O-N 2.89Å; L757-I760 PolarHBondContact O-N 2.68Å; I760-R762 PolarHBondContact O-N 3.4Å; I760-R763 PolarHBondContact O-N 3.34Å; I760-A764 WeakPolarHBondContact O-CB 3.42Å; I760-A764 PolarHBondContact O-N 2.84Å; I760-A776 HydrophobicContact CG2-CB 4.42Å
761	Y	88.3	Confident	84.3	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-53.9	-51.5	175.9	169.1	-107.6	0	0	0	111.8	Y578 L757 E758 R759 G765 V773 A776 A777	Y578-Y761 WeakPolarHBondContact CB-OH 3.04Å; Y578-Y761 AromaticContact CD1-CE2 3.79Å; Y578-Y761 HydrophobicContact CD1-CE2 3.79Å; Y578-Y761 HydrophobicContact CG-CE2 4.29Å; Y578-Y761 PolarHBondContact N-OH 3.46Å; Y578-Y761 VanDerWaalsContact N-OH 3.08Å; L757-Y761 WeakPolarHBondContact O-CB 3.41Å; L757-Y761 PolarHBondContact O-N 3.24Å; E758-Y761 WeakPolarHBondContact O-CB 3.33Å; R759-Y761 VanDerWaalsContact C-N 3.34Å; Y761-G765 PolarHBondContact O-N 3.39Å; Y761-V773 HydrophobicContact CD2-CG1 4.04Å; Y761-V773 HydrophobicContact CE2-CG1 3.82Å; Y761-A776 HydrophobicContact CD2-CB 4.4Å; Y761-A777 HydrophobicContact CD2-CB 4.23Å; Y761-A777 HydrophobicContact CE2-CB 4Å
762	R	83.9	Confident	85	Confident	154 Å²	154	42 Å²	42	58%	0.581	19%	0.185	S	C	*	.	H	α-helix	trans	-64.8	-42.1	178.8	-69	176.9	-166.4	171.7	7.2	112.9	E758 R759 I760 G765 S766	E758-R762 WeakPolarHBondContact O-CG 3.39Å; E758-R762 PolarHBondContact O-N 2.89Å; E758-R762 IonicContact OE1-CZ 3.8Å; E758-R762 IonicContact OE1-NE 3.95Å; E758-R762 PolarHBondContact OE1-NE 3.03Å; E758-R762 IonicContact OE1-NH2 2.81Å; E758-R762 PolarHBondContact OE1-NH2 3Å; R759-R762 PolarHBondContact O-N 3.26Å; I760-R762 PolarHBondContact O-N 3.4Å; R762-G765 PolarHBondContact O-N 3.44Å; R762-S766 PolarHBondContact O-N 3.16Å; R762-S766 PolarHBondContact O-OG 3.47Å
763	R	84.9	Confident	85.3	Confident	102 Å²	102	39.8 Å²	39.8	39%	0.385	17%	0.173	S	C	.	.	H	α-helix	trans	-68.7	-40.7	179.4	-75.8	176.2	58.9	-172.8	-5.2	112.8	L728 R759 I760 G765 S766 R767	L728-R763 HydrophobicContact CD1-CB 4.26Å; L728-R763 HydrophobicContact CD2-CB 4.44Å; R759-R763 WeakPolarHBondContact O-CB 3.48Å; R759-R763 VanDerWaalsContact O-CG 3.31Å; R759-R763 WeakPolarHBondContact O-CG 3.18Å; R759-R763 PolarHBondContact O-N 2.99Å; I760-R763 PolarHBondContact O-N 3.34Å; R763-G765 VanDerWaalsContact C-N 3.26Å; R763-S766 PolarHBondContact O-OG 3.15Å; R763-S766 VanDerWaalsContact O-OG 3.13Å; R763-R767 WeakPolarHBondContact O-CB 3.2Å; R763-R767 VanDerWaalsContact O-CG 3.3Å; R763-R767 WeakPolarHBondContact O-CG 3.21Å; R763-R767 PolarHBondContact O-N 3.42Å
764	A	87	Confident	85.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-38.7	175.5	0	0	0	0	0	110.1	L728 I760 R767 K768 L769 A772 V773	L728-A764 HydrophobicContact CD1-CB 4.33Å; I760-A764 WeakPolarHBondContact O-CB 3.42Å; I760-A764 PolarHBondContact O-N 2.84Å; A764-R767 CarbonylContact O-C 3.59Å; A764-R767 PolarHBondContact O-N 2.76Å; A764-K768 PolarHBondContact O-N 2.92Å; A764-L769 HydrophobicContact CB-CB 4.42Å; A764-L769 PolarHBondContact O-N 3.27Å; A764-A772 HydrophobicContact CB-CB 3.87Å; A764-V773 HydrophobicContact CB-CB 4.48Å; A764-V773 HydrophobicContact CB-CG2 3.48Å; A764-V773 VanDerWaalsContact CB-CG2 3.48Å
765	G	84.4	Confident	85.8	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-54.5	175.6	0	0	0	0	0	114.2	Y761 R762 R763 R767 K768	Y761-G765 PolarHBondContact O-N 3.39Å; R762-G765 PolarHBondContact O-N 3.44Å; R763-G765 VanDerWaalsContact C-N 3.26Å; G765-R767 PolarHBondContact O-N 3.14Å; G765-K768 PolarHBondContact O-N 2.96Å
766	S	80	Confident	86	Confident	41 Å²	41	33.1 Å²	33.1	29%	0.287	14%	0.138	S	C	.	.	H	α-helix	trans	-63.2	-27.1	178	61.5	0	0	0	0	113.5	D616 R762 R763	D616-S766 WeakPolarHBondContact OD2-CB 3.07Å; R762-S766 PolarHBondContact O-N 3.16Å; R762-S766 PolarHBondContact O-OG 3.47Å; R763-S766 PolarHBondContact O-OG 3.15Å; R763-S766 VanDerWaalsContact O-OG 3.13Å
767	R	81.8	Confident	86.3	Confident	131 Å²	131	31.7 Å²	31.7	49%	0.494	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.3	174.4	-66.2	-178.3	-177.6	-164.6	-0.3	114.2	R763 A764 G765 L769	R763-R767 WeakPolarHBondContact O-CB 3.2Å; R763-R767 VanDerWaalsContact O-CG 3.3Å; R763-R767 WeakPolarHBondContact O-CG 3.21Å; R763-R767 PolarHBondContact O-N 3.42Å; A764-R767 CarbonylContact O-C 3.59Å; A764-R767 PolarHBondContact O-N 2.76Å; G765-R767 PolarHBondContact O-N 3.14Å; R767-L769 VanDerWaalsContact C-N 3.25Å; R767-L769 HydrophobicContact CB-CD1 4.16Å; R767-L769 HydrophobicContact CB-CG 4Å; R767-L769 PolarHBondContact O-N 3.3Å
768	K	83.3	Confident	86.4	Confident	34 Å²	34	31.9 Å²	31.9	15%	0.148	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	33.3	179.8	-55.5	171.9	-178.8	171.9	0	113	K619 L699 A764 G765 W770	K619-K768 PolarHBondContact O-NZ 2.93Å; L699-K768 HydrophobicContact CD2-CB 4.39Å; A764-K768 PolarHBondContact O-N 2.92Å; G765-K768 PolarHBondContact O-N 2.96Å; K768-W770 HydrophobicContact CB-CH2 4.31Å; K768-W770 HydrophobicContact CB-CZ2 3.68Å; K768-W770 HydrophobicContact CG-CH2 4.25Å; K768-W770 HydrophobicContact CG-CZ2 3.91Å; K768-W770 PolarHBondContact O-N 2.97Å; K768-W770 PolarHBondContact O-NE1 3.19Å
769	L	86.8	Confident	86.3	Confident	17 Å²	17	30.8 Å²	30.8	9%	0.089	13%	0.129	C	C	.	.			trans	-88.5	76.2	176.6	-63	176.8	0	0	0	110	D698 L728 A764 R767 L771 A772 V773	D698-L769 WeakPolarHBondContact O-CD2 3.21Å; L728-L769 HydrophobicContact CB-CD1 4.24Å; L728-L769 HydrophobicContact CD1-CD1 3.79Å; A764-L769 HydrophobicContact CB-CB 4.42Å; A764-L769 PolarHBondContact O-N 3.27Å; R767-L769 VanDerWaalsContact C-N 3.25Å; R767-L769 HydrophobicContact CB-CD1 4.16Å; R767-L769 HydrophobicContact CB-CG 4Å; R767-L769 PolarHBondContact O-N 3.3Å; L769-L771 VanDerWaalsContact C-N 3.3Å; L769-L771 PolarHBondContact O-N 3.34Å; L769-A772 HydrophobicContact CB-CB 4.19Å; L769-A772 PolarHBondContact O-N 2.68Å; L769-V773 WeakPolarHBondContact O-CG2 3.43Å; L769-V773 PolarHBondContact O-N 2.9Å
770	W	88.9	Confident	86.2	Confident	24 Å²	24	27.6 Å²	27.6	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-35.3	-166.3	-51.8	115.1	0	0	0	114.6	Y578 D582 K768 V773 R774 S895 P896	Y578-W770 HydrophobicContact CD2-CE3 4.39Å; Y578-W770 HydrophobicContact CD2-CZ3 4.29Å; D582-W770 HydrophobicContact CB-CH2 3.97Å; D582-W770 HydrophobicContact CB-CZ2 4.35Å; K768-W770 HydrophobicContact CB-CH2 4.31Å; K768-W770 HydrophobicContact CB-CZ2 3.68Å; K768-W770 HydrophobicContact CG-CH2 4.25Å; K768-W770 HydrophobicContact CG-CZ2 3.91Å; K768-W770 PolarHBondContact O-N 2.97Å; K768-W770 PolarHBondContact O-NE1 3.19Å; W770-V773 PolarHBondContact O-N 3Å; W770-R774 WeakPolarHBondContact O-CB 3.44Å; W770-R774 WeakPolarHBondContact O-CG 3.38Å; W770-R774 PolarHBondContact O-N 3.34Å; W770-S895 VanDerWaalsContact CD1-CA 3.44Å; W770-P896 HydrophobicContact CE3-CG 4.12Å; W770-P896 HydrophobicContact CZ3-CG 4.17Å
771	L	87.1	Confident	86.2	Confident	11 Å²	11	33.8 Å²	33.8	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-48	174.8	179	62.6	0	0	0	111.4	P703 L769 R774 H775 Y892 Q893	P703-L771 HydrophobicContact CG-CD2 4.43Å; L769-L771 VanDerWaalsContact C-N 3.3Å; L769-L771 PolarHBondContact O-N 3.34Å; L771-R774 PolarHBondContact O-N 2.86Å; L771-H775 PolarHBondContact O-CD2 3.07Å; L771-H775 PolarHBondContact O-N 3.17Å; L771-Y892 WeakPolarHBondContact CA-O 3.48Å; L771-Y892 PolarHBondContact N-O 2.53Å; L771-Q893 HydrophobicContact CB-CG 4.33Å; L771-Q893 HydrophobicContact CD2-CG 4.37Å
772	A	87.3	Confident	86.2	Confident	2 Å²	2	35.6 Å²	35.6	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-66.7	-38.8	179	0	0	0	0	0	111.9	L728 A729 A764 L769 H775 A776	L728-A772 HydrophobicContact CB-CB 4.2Å; A729-A772 HydrophobicContact CB-CB 4.06Å; A764-A772 HydrophobicContact CB-CB 3.87Å; L769-A772 HydrophobicContact CB-CB 4.19Å; L769-A772 PolarHBondContact O-N 2.68Å; A772-H775 PolarHBondContact O-N 2.96Å; A772-A776 WeakPolarHBondContact O-CB 3.46Å; A772-A776 PolarHBondContact O-N 2.85Å
773	V	89.6	Confident	86.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-48	175.8	177.7	0	0	0	0	111.3	Y578 Y761 A764 L769 W770 H775 A776 A777	Y578-V773 HydrophobicContact CD1-CG1 3.55Å; Y578-V773 HydrophobicContact CD2-CG1 3.62Å; Y578-V773 HydrophobicContact CE1-CG1 3.95Å; Y578-V773 HydrophobicContact CE2-CG1 4.05Å; Y578-V773 HydrophobicContact CG-CG1 3.34Å; Y761-V773 HydrophobicContact CD2-CG1 4.04Å; Y761-V773 HydrophobicContact CE2-CG1 3.82Å; A764-V773 HydrophobicContact CB-CB 4.48Å; A764-V773 HydrophobicContact CB-CG2 3.48Å; A764-V773 VanDerWaalsContact CB-CG2 3.48Å; L769-V773 WeakPolarHBondContact O-CG2 3.43Å; L769-V773 PolarHBondContact O-N 2.9Å; W770-V773 PolarHBondContact O-N 3Å; V773-H775 VanDerWaalsContact C-N 3.32Å; V773-H775 PolarHBondContact O-N 3.45Å; V773-A776 PolarHBondContact O-N 3.45Å; V773-A777 VanDerWaalsContact O-CB 3.25Å; V773-A777 WeakPolarHBondContact O-CB 3.4Å; V773-A777 PolarHBondContact O-N 3.41Å
774	R	89.8	Confident	86.5	Confident	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.2	-42.1	177.4	-78.1	176.7	-176.5	114.9	3.2	111.7	Y578 W770 L771 A778 V840 E844 Y892 L894	Y578-R774 WeakPolarHBondContact OH-CG 3.47Å; W770-R774 WeakPolarHBondContact O-CB 3.44Å; W770-R774 WeakPolarHBondContact O-CG 3.38Å; W770-R774 PolarHBondContact O-N 3.34Å; L771-R774 PolarHBondContact O-N 2.86Å; R774-A778 VanDerWaalsContact O-CB 3.29Å; R774-A778 WeakPolarHBondContact O-CB 3.46Å; R774-A778 PolarHBondContact O-N 3.36Å; R774-V840 HydrophobicContact CB-CG1 4.46Å; R774-V840 HydrophobicContact CG-CG1 4.1Å; R774-E844 IonicContact CZ-OE1 2.69Å; R774-E844 VanDerWaalsContact CZ-OE1 3.32Å; R774-E844 IonicContact CZ-OE2 3.13Å; R774-E844 IonicContact NE-OE1 3.25Å; R774-E844 PolarHBondContact NE-OE1 2.98Å; R774-E844 IonicContact NE-OE2 3.57Å; R774-E844 IonicContact NH2-OE1 3.28Å; R774-E844 PolarHBondContact NH2-OE1 3.47Å; R774-E844 VanDerWaalsContact NH2-OE1 3.1Å; R774-E844 IonicContact NH2-OE2 3.01Å; R774-E844 PolarHBondContact NH2-OE2 3.44Å; R774-Y892 PolarHBondContact NH1-O 2.78Å; R774-L894 PolarHBondContact NH1-O 2.88Å; R774-L894 PolarHBondContact NH2-O 3.47Å
775	H	86.5	Confident	86.1	Confident	17 Å²	17	27.2 Å²	27.2	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-54.1	173.9	-85.5	-66.3	0	0	0	112	A732 L771 A772 V773 A777 A778 I779 R837	A732-H775 HydrophobicContact CB-CB 4.03Å; L771-H775 PolarHBondContact O-CD2 3.07Å; L771-H775 PolarHBondContact O-N 3.17Å; A772-H775 PolarHBondContact O-N 2.96Å; V773-H775 VanDerWaalsContact C-N 3.32Å; V773-H775 PolarHBondContact O-N 3.45Å; H775-A777 VanDerWaalsContact C-N 3.32Å; H775-A777 PolarHBondContact O-N 3.14Å; H775-A778 WeakPolarHBondContact O-CB 3.48Å; H775-A778 PolarHBondContact O-N 3.21Å; H775-I779 VanDerWaalsContact O-CD1 3.3Å; H775-I779 WeakPolarHBondContact O-CD1 3.32Å; H775-I779 WeakPolarHBondContact O-CG1 3.44Å; H775-I779 PolarHBondContact O-N 3.31Å; H775-I779 VanDerWaalsContact O-N 3.09Å; H775-R837 WeakPolarHBondContact CE1-CD 3.45Å; H775-R837 VanDerWaalsContact CE1-CZ 3.46Å; H775-R837 PolarHBondContact CE1-NE 3.26Å; H775-R837 WeakPolarHBondContact NE2-CD 3.2Å; H775-R837 PolarHBondContact NE2-NH1 3.05Å; H775-R837 VanDerWaalsContact NE2-NH1 3.14Å
776	A	87.9	Confident	86	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-39.4	-178.8	0	0	0	0	0	112.3	I760 Y761 A772 V773 T780	I760-A776 HydrophobicContact CG2-CB 4.42Å; Y761-A776 HydrophobicContact CD2-CB 4.4Å; A772-A776 WeakPolarHBondContact O-CB 3.46Å; A772-A776 PolarHBondContact O-N 2.85Å; V773-A776 PolarHBondContact O-N 3.45Å; A776-T780 WeakPolarHBondContact O-CB 3.37Å; A776-T780 WeakPolarHBondContact O-CG2 3.38Å; A776-T780 PolarHBondContact O-N 3.27Å; A776-T780 PolarHBondContact O-OG1 3.26Å
777	A	89.5	Confident	86.4	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-38.2	176.1	0	0	0	0	0	112.7	Y578 Y761 V773 H775 T780 K781 K782 Y827 V840	Y578-A777 HydrophobicContact CD1-CB 4.39Å; Y578-A777 HydrophobicContact CE1-CB 4.08Å; Y761-A777 HydrophobicContact CD2-CB 4.23Å; Y761-A777 HydrophobicContact CE2-CB 4Å; V773-A777 VanDerWaalsContact O-CB 3.25Å; V773-A777 WeakPolarHBondContact O-CB 3.4Å; V773-A777 PolarHBondContact O-N 3.41Å; H775-A777 VanDerWaalsContact C-N 3.32Å; H775-A777 PolarHBondContact O-N 3.14Å; A777-T780 PolarHBondContact O-OG1 3.32Å; A777-K781 PolarHBondContact O-N 2.67Å; A777-K782 HydrophobicContact CB-CB 4.18Å; A777-K782 HydrophobicContact CB-CG 4.15Å; A777-K782 PolarHBondContact O-N 3.28Å; A777-Y827 PolarHBondContact O-OH 2.77Å; A777-V840 HydrophobicContact CB-CG1 4.23Å; A777-V840 HydrophobicContact CB-CG2 4.14Å
778	A	87.8	Confident	86.7	Confident	4 Å²	4	20.9 Å²	20.9	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-48.3	177.9	0	0	0	0	0	111.4	R774 H775 T780 K781 Y827 E836 V840	R774-A778 VanDerWaalsContact O-CB 3.29Å; R774-A778 WeakPolarHBondContact O-CB 3.46Å; R774-A778 PolarHBondContact O-N 3.36Å; H775-A778 WeakPolarHBondContact O-CB 3.48Å; H775-A778 PolarHBondContact O-N 3.21Å; A778-T780 PolarHBondContact O-N 3.4Å; A778-K781 PolarHBondContact O-N 2.57Å; A778-K781 VanDerWaalsContact O-N 3.09Å; A778-Y827 WeakPolarHBondContact O-CE1 3.43Å; A778-E836 HydrophobicContact CB-CB 3.89Å; A778-E836 WeakPolarHBondContact CB-O 3.34Å; A778-V840 HydrophobicContact CB-CG2 3.61Å
779	I	83.7	Confident	86.7	Confident	14 Å²	14	20.8 Å²	20.8	7%	0.072	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-43.9	-178.7	-62.5	158.8	0	0	0	110.7	A732 C736 L739 L757 H775 K781	A732-I779 VanDerWaalsContact O-CD1 3.26Å; A732-I779 WeakPolarHBondContact O-CD1 3.3Å; C736-I779 HydrophobicContact CB-CD1 3.58Å; C736-I779 HydrophobicContact CB-CG1 3.93Å; L739-I779 HydrophobicContact CD2-CG2 3.39Å; L757-I779 HydrophobicContact CD1-CG2 3.68Å; L757-I779 HydrophobicContact CD2-CD1 4.34Å; L757-I779 HydrophobicContact CD2-CG2 4.4Å; H775-I779 VanDerWaalsContact O-CD1 3.3Å; H775-I779 WeakPolarHBondContact O-CD1 3.32Å; H775-I779 WeakPolarHBondContact O-CG1 3.44Å; H775-I779 PolarHBondContact O-N 3.31Å; H775-I779 VanDerWaalsContact O-N 3.09Å; I779-K781 PolarHBondContact O-N 3.34Å
780	T	84.7	Confident	86.8	Confident	23 Å²	23	21.9 Å²	21.9	14%	0.141	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.4	178.3	55.4	0	0	0	0	113.6	M754 L757 A776 A777 A778 K782	M754-T780 HydrophobicContact CE-CG2 3.99Å; L757-T780 HydrophobicContact CB-CG2 3.89Å; L757-T780 HydrophobicContact CD1-CG2 4.43Å; A776-T780 WeakPolarHBondContact O-CB 3.37Å; A776-T780 WeakPolarHBondContact O-CG2 3.38Å; A776-T780 PolarHBondContact O-N 3.27Å; A776-T780 PolarHBondContact O-OG1 3.26Å; A777-T780 PolarHBondContact O-OG1 3.32Å; A778-T780 PolarHBondContact O-N 3.4Å; T780-K782 VanDerWaalsContact C-N 3.26Å; T780-K782 PolarHBondContact O-N 2.96Å; T780-K782 WeakPolarHBondContact OG1-CG 3.44Å
781	K	87.1	Confident	87	Confident	131 Å²	131	20.7 Å²	20.7	57%	0.57	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	38.2	-180	-60.5	-175.6	179.6	178.7	0	114.3	A777 A778 I779 Y783 Q823 Y827	A777-K781 PolarHBondContact O-N 2.67Å; A778-K781 PolarHBondContact O-N 2.57Å; A778-K781 VanDerWaalsContact O-N 3.09Å; I779-K781 PolarHBondContact O-N 3.34Å; K781-Y783 PolarHBondContact O-N 2.9Å; K781-Q823 PolarHBondContact O-NE2 3.06Å; K781-Y827 VanDerWaalsContact CA-CZ 3.41Å; K781-Y827 WeakPolarHBondContact CA-OH 3.43Å; K781-Y827 HydrophobicContact CB-CD2 4.34Å; K781-Y827 HydrophobicContact CB-CE1 4.26Å; K781-Y827 HydrophobicContact CB-CE2 4.03Å; K781-Y827 HydrophobicContact CG-CD1 4.14Å; K781-Y827 HydrophobicContact CG-CE1 4.14Å; K781-Y827 HydrophobicContact CG-CG 4.39Å
782	K	87.9	Confident	87	Confident	42 Å²	42	20.4 Å²	20.4	18%	0.183	11%	0.107	C	C	.	.			trans	-57.7	133.9	179.2	-67.7	-69.5	-176.6	177.4	0	111.1	F577 E758 A777 T780 Y827 Q843	F577-K782 HydrophobicContact CD2-CB 4.19Å; F577-K782 HydrophobicContact CE2-CB 4.19Å; E758-K782 VanDerWaalsContact CD-NZ 3.34Å; E758-K782 IonicContact OE1-NZ 2.99Å; E758-K782 PolarHBondContact OE1-NZ 3.35Å; E758-K782 WeakPolarHBondContact OE2-CE 3.35Å; E758-K782 IonicContact OE2-NZ 3.92Å; E758-K782 PolarHBondContact OE2-NZ 3.34Å; A777-K782 HydrophobicContact CB-CB 4.18Å; A777-K782 HydrophobicContact CB-CG 4.15Å; A777-K782 PolarHBondContact O-N 3.28Å; T780-K782 VanDerWaalsContact C-N 3.26Å; T780-K782 PolarHBondContact O-N 2.96Å; T780-K782 WeakPolarHBondContact OG1-CG 3.44Å; K782-Y827 PolarHBondContact N-OH 3.29Å; K782-Y827 PolarHBondContact O-OH 3.03Å; K782-Q843 PolarHBondContact O-NE2 3.05Å; K782-Q843 PolarHBondContact O-OE1 3Å
783	Y	88.1	Confident	87	Confident	32 Å²	32	21.8 Å²	21.8	13%	0.125	12%	0.115	C	C	.	.			trans	-121.1	125.9	178.8	176.5	-97.9	0	0	0	109.8	K781 I787 P819 I822 Q823 I826	K781-Y783 PolarHBondContact O-N 2.9Å; Y783-I787 HydrophobicContact CD2-CD1 4.02Å; Y783-I787 HydrophobicContact CE2-CB 4.32Å; Y783-I787 HydrophobicContact CE2-CD1 3.75Å; Y783-P819 HydrophobicContact CE1-CB 3.73Å; Y783-P819 WeakPolarHBondContact OH-CA 3.24Å; Y783-I822 HydrophobicContact CE2-CB 4.32Å; Y783-I822 HydrophobicContact CE2-CG2 4.12Å; Y783-Q823 HydrophobicContact CD2-CB 3.6Å; Y783-Q823 HydrophobicContact CD2-CG 3.9Å; Y783-Q823 HydrophobicContact CE2-CB 4.01Å; Y783-Q823 HydrophobicContact CG-CB 4.1Å; Y783-Q823 HydrophobicContact CG-CG 4.15Å; Y783-I826 HydrophobicContact CE2-CD1 4.32Å
784	A	86.6	Confident	87.1	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.008	12%	0.115	C	C	.	.			trans	-79.7	121.6	176.7	0	0	0	0	0	111.1	F577 S786 I787 I847	F577-A784 HydrophobicContact CB-CB 3.89Å; F577-A784 HydrophobicContact CD1-CB 3.97Å; F577-A784 HydrophobicContact CD2-CB 3.96Å; F577-A784 HydrophobicContact CE1-CB 4.47Å; F577-A784 HydrophobicContact CE2-CB 4.45Å; F577-A784 HydrophobicContact CG-CB 3.7Å; A784-S786 PolarHBondContact O-N 3.35Å; A784-I787 HydrophobicContact CB-CD1 3.81Å; A784-I787 HydrophobicContact CB-CG1 4.02Å; A784-I787 WeakPolarHBondContact O-CD1 3.49Å; A784-I787 WeakPolarHBondContact O-CG1 3.4Å; A784-I787 PolarHBondContact O-N 2.77Å; A784-I847 HydrophobicContact CB-CD1 3.81Å
785	S	79.9	Confident	87.1	Confident	46 Å²	46	22.8 Å²	22.8	32%	0.322	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.6	-177.1	70.9	0	0	0	0	114.4	D576	D576-S785 WeakPolarHBondContact OD1-CB 3.07Å; D576-S785 PolarHBondContact OD1-N 3.28Å; D576-S785 WeakPolarHBondContact OD2-CB 3.43Å; D576-S785 PolarHBondContact OD2-N 3.36Å; D576-S785 PolarHBondContact OD2-OG 3.12Å
786	S	82.1	Confident	87	Confident	38 Å²	38	22.1 Å²	22.1	27%	0.266	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.5	-178.8	59.9	0	0	0	0	115.1	A784 A788 P789 H790 I847	A784-S786 PolarHBondContact O-N 3.35Å; S786-A788 PolarHBondContact O-N 2.89Å; S786-P789 VanDerWaalsContact O-CD 3.26Å; S786-P789 WeakPolarHBondContact O-CD 3.39Å; S786-H790 PolarHBondContact O-CD2 3.07Å; S786-H790 PolarHBondContact O-N 2.78Å; S786-I847 WeakPolarHBondContact OG-CD1 3.48Å
787	I	88.9	Confident	86.9	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-48.7	-177.1	-70.6	160.1	0	0	0	111.9	Y783 A784 H790 I791 I822 I826 Q843 V846 I847	Y783-I787 HydrophobicContact CD2-CD1 4.02Å; Y783-I787 HydrophobicContact CE2-CB 4.32Å; Y783-I787 HydrophobicContact CE2-CD1 3.75Å; A784-I787 HydrophobicContact CB-CD1 3.81Å; A784-I787 HydrophobicContact CB-CG1 4.02Å; A784-I787 WeakPolarHBondContact O-CD1 3.49Å; A784-I787 WeakPolarHBondContact O-CG1 3.4Å; A784-I787 PolarHBondContact O-N 2.77Å; I787-H790 PolarHBondContact O-N 3.05Å; I787-H790 VanDerWaalsContact O-N 3.08Å; I787-I791 HydrophobicContact CG2-CD1 3.67Å; I787-I791 HydrophobicContact CG2-CG1 4.1Å; I787-I791 WeakPolarHBondContact O-CG1 3.49Å; I787-I791 PolarHBondContact O-N 2.59Å; I787-I822 HydrophobicContact CG2-CG2 3.78Å; I787-I826 HydrophobicContact CD1-CD1 4.25Å; I787-Q843 HydrophobicContact CD1-CB 3.78Å; I787-Q843 HydrophobicContact CD1-CG 3.46Å; I787-Q843 VanDerWaalsContact CD1-CG 3.46Å; I787-V846 HydrophobicContact CG2-CG1 4.07Å; I787-I847 HydrophobicContact CG1-CD1 4.11Å; I787-I847 HydrophobicContact CG1-CG1 4.04Å
788	A	86.4	Confident	86.7	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-43.6	-175.8	0	0	0	0	0	113	S786 T792 P819 I822	S786-A788 PolarHBondContact O-N 2.89Å; A788-T792 PolarHBondContact O-N 3.09Å; A788-T792 PolarHBondContact O-OG1 3.34Å; A788-P819 HydrophobicContact CB-CG 4.25Å; A788-I822 HydrophobicContact CB-CD1 3.65Å
789	P	84	Confident	86.8	Confident	32 Å²	32	26.9 Å²	26.9	21%	0.208	14%	0.142	C	C	.	.	H	α-helix	trans	-53.9	-48.8	167.2	-27.5	32.5	0	0	0	113.9	S786 I791 T792 T793	S786-P789 VanDerWaalsContact O-CD 3.26Å; S786-P789 WeakPolarHBondContact O-CD 3.39Å; P789-I791 PolarHBondContact O-N 3.45Å; P789-T792 WeakPolarHBondContact O-CB 3.45Å; P789-T792 PolarHBondContact O-N 3.35Å; P789-T792 VanDerWaalsContact O-N 3.12Å; P789-T793 PolarHBondContact O-N 3.48Å; P789-T793 PolarHBondContact O-OG1 3.35Å
790	H	89.4	Confident	87.2	Confident	40 Å²	40	26.8 Å²	26.8	19%	0.185	14%	0.141	C	C	.	.	H	α-helix	trans	-67.2	-36.9	-177.9	-73.6	-53	0	0	0	113.6	S786 I787 T792 T793 I794	S786-H790 PolarHBondContact O-CD2 3.07Å; S786-H790 PolarHBondContact O-N 2.78Å; I787-H790 PolarHBondContact O-N 3.05Å; I787-H790 VanDerWaalsContact O-N 3.08Å; H790-T792 VanDerWaalsContact C-N 3.32Å; H790-T792 PolarHBondContact O-N 3.45Å; H790-T793 WeakPolarHBondContact O-CB 3.34Å; H790-T793 PolarHBondContact O-N 3.03Å; H790-I794 WeakPolarHBondContact O-CG1 3.38Å; H790-I794 PolarHBondContact O-N 3.26Å
791	I	91.8	Very high	87.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-46.1	169.4	-71.1	179.7	0	0	0	110.1	I787 P789 T793 I794 L795 V801 I813 I822 V846	I787-I791 HydrophobicContact CG2-CD1 3.67Å; I787-I791 HydrophobicContact CG2-CG1 4.1Å; I787-I791 WeakPolarHBondContact O-CG1 3.49Å; I787-I791 PolarHBondContact O-N 2.59Å; P789-I791 PolarHBondContact O-N 3.45Å; I791-T793 VanDerWaalsContact C-N 3.3Å; I791-T793 PolarHBondContact O-N 2.88Å; I791-I794 WeakPolarHBondContact O-CB 3.28Å; I791-I794 PolarHBondContact O-N 3.16Å; I791-I794 VanDerWaalsContact O-N 3.14Å; I791-L795 HydrophobicContact CG2-CD1 4.02Å; I791-L795 HydrophobicContact CG2-CG 4.31Å; I791-L795 VanDerWaalsContact O-CG 3.32Å; I791-L795 WeakPolarHBondContact O-CG 3.44Å; I791-L795 PolarHBondContact O-N 3.41Å; I791-V801 HydrophobicContact CG1-CG1 4.37Å; I791-V801 HydrophobicContact CG2-CG1 4.03Å; I791-I813 HydrophobicContact CD1-CD1 3.95Å; I791-I813 HydrophobicContact CG2-CG2 3.83Å; I791-I822 HydrophobicContact CD1-CD1 4.01Å; I791-I822 HydrophobicContact CD1-CG1 4.24Å; I791-I822 HydrophobicContact CD1-CG2 3.83Å; I791-V846 HydrophobicContact CD1-CG1 4.26Å; I791-V846 HydrophobicContact CG1-CG1 3.55Å
792	T	87.8	Confident	88	Confident	4 Å²	4	19.5 Å²	19.5	3%	0.025	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-44.4	178.4	-53.2	0	0	0	0	110.9	Y205 R206 A788 P789 H790 I794 L795 V796 P816	Y205-T792 HydrophobicContact CD2-CG2 4.07Å; Y205-T792 WeakPolarHBondContact O-CG2 3.21Å; R206-T792 HydrophobicContact CB-CG2 3.98Å; A788-T792 PolarHBondContact O-N 3.09Å; A788-T792 PolarHBondContact O-OG1 3.34Å; P789-T792 WeakPolarHBondContact O-CB 3.45Å; P789-T792 PolarHBondContact O-N 3.35Å; P789-T792 VanDerWaalsContact O-N 3.12Å; H790-T792 VanDerWaalsContact C-N 3.32Å; H790-T792 PolarHBondContact O-N 3.45Å; T792-I794 VanDerWaalsContact C-N 3.33Å; T792-I794 PolarHBondContact O-N 3.12Å; T792-L795 PolarHBondContact O-N 2.92Å; T792-V796 HydrophobicContact CG2-CG2 4.17Å; T792-V796 WeakPolarHBondContact O-CB 3.38Å; T792-V796 VanDerWaalsContact O-CG2 3.23Å; T792-V796 WeakPolarHBondContact O-CG2 3.36Å; T792-V796 PolarHBondContact O-N 3.39Å; T792-P816 HydrophobicContact CG2-CG 4.24Å
793	T	87.6	Confident	88.2	Confident	31 Å²	31	17.5 Å²	17.5	19%	0.19	10%	0.099	C	C	.	.	H	α-helix	trans	-55.1	-46.8	174.5	-61.7	0	0	0	0	111.9	P789 H790 I791 L795 V796 H797 I853 S854	P789-T793 PolarHBondContact O-N 3.48Å; P789-T793 PolarHBondContact O-OG1 3.35Å; H790-T793 WeakPolarHBondContact O-CB 3.34Å; H790-T793 PolarHBondContact O-N 3.03Å; I791-T793 VanDerWaalsContact C-N 3.3Å; I791-T793 PolarHBondContact O-N 2.88Å; T793-L795 PolarHBondContact O-N 3.17Å; T793-V796 PolarHBondContact O-N 3.07Å; T793-H797 PolarHBondContact O-N 3.47Å; T793-H797 PolarHBondContact O-ND1 2.89Å; T793-I853 HydrophobicContact CG2-CG2 3.94Å; T793-S854 WeakPolarHBondContact CG2-OG 3.38Å
794	I	92.3	Very high	88.3	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-47.1	177.8	-66.9	164.1	0	0	0	110.9	H790 I791 T792 V796 H797 K799 V801 I849 I853 I866	H790-I794 WeakPolarHBondContact O-CG1 3.38Å; H790-I794 PolarHBondContact O-N 3.26Å; I791-I794 WeakPolarHBondContact O-CB 3.28Å; I791-I794 PolarHBondContact O-N 3.16Å; I791-I794 VanDerWaalsContact O-N 3.14Å; T792-I794 VanDerWaalsContact C-N 3.33Å; T792-I794 PolarHBondContact O-N 3.12Å; I794-V796 VanDerWaalsContact C-N 3.34Å; I794-V796 PolarHBondContact O-N 3.33Å; I794-H797 PolarHBondContact O-N 2.84Å; I794-K799 HydrophobicContact CG2-CB 3.78Å; I794-K799 WeakPolarHBondContact O-CB 3.33Å; I794-K799 PolarHBondContact O-N 2.88Å; I794-V801 HydrophobicContact CG2-CB 4.37Å; I794-I849 HydrophobicContact CD1-CB 4.25Å; I794-I849 HydrophobicContact CD1-CG2 3.63Å; I794-I849 HydrophobicContact CG1-CG2 4.02Å; I794-I853 HydrophobicContact CG1-CG2 4.24Å; I794-I866 HydrophobicContact CG2-CD1 3.78Å
795	L	89.2	Confident	88.4	Confident	21 Å²	21	17.7 Å²	17.7	11%	0.11	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-41.4	-179.2	-65.7	176.3	0	0	0	112.7	I791 T792 T793 H797 G798 K799 I813 P816	I791-L795 HydrophobicContact CG2-CD1 4.02Å; I791-L795 HydrophobicContact CG2-CG 4.31Å; I791-L795 VanDerWaalsContact O-CG 3.32Å; I791-L795 WeakPolarHBondContact O-CG 3.44Å; I791-L795 PolarHBondContact O-N 3.41Å; T792-L795 PolarHBondContact O-N 2.92Å; T793-L795 PolarHBondContact O-N 3.17Å; L795-H797 VanDerWaalsContact C-N 3.3Å; L795-H797 PolarHBondContact O-N 3.24Å; L795-G798 WeakPolarHBondContact O-CA 3.47Å; L795-G798 PolarHBondContact O-N 2.87Å; L795-K799 WeakPolarHBondContact CA-O 3.24Å; L795-K799 WeakPolarHBondContact CD2-O 3.49Å; L795-I813 HydrophobicContact CD1-CG2 4.48Å; L795-I813 WeakPolarHBondContact CD2-O 3.46Å; L795-P816 HydrophobicContact CD1-CG 4.05Å
796	V	84	Confident	88.8	Confident	4 Å²	4	18.6 Å²	18.6	2%	0.024	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-32.1	-179.4	161.5	0	0	0	0	112.1	L226 T270 L274 T792 T793 I794 G798	L226-V796 HydrophobicContact CD2-CG2 3.86Å; T270-V796 HydrophobicContact CG2-CG1 4.15Å; T270-V796 HydrophobicContact CG2-CG2 3.61Å; L274-V796 HydrophobicContact CD2-CG1 4.48Å; L274-V796 HydrophobicContact CG-CG1 4.31Å; T792-V796 HydrophobicContact CG2-CG2 4.17Å; T792-V796 WeakPolarHBondContact O-CB 3.38Å; T792-V796 VanDerWaalsContact O-CG2 3.23Å; T792-V796 WeakPolarHBondContact O-CG2 3.36Å; T792-V796 PolarHBondContact O-N 3.39Å; T793-V796 PolarHBondContact O-N 3.07Å; I794-V796 VanDerWaalsContact C-N 3.34Å; I794-V796 PolarHBondContact O-N 3.33Å; V796-G798 PolarHBondContact O-N 3.22Å
797	H	86.4	Confident	88.8	Confident	54 Å²	54	19.4 Å²	19.4	25%	0.25	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	15.2	170.3	-70.8	78.9	0	0	0	113.1	T793 I794 L795 K799 I853	T793-H797 PolarHBondContact O-N 3.47Å; T793-H797 PolarHBondContact O-ND1 2.89Å; I794-H797 PolarHBondContact O-N 2.84Å; L795-H797 VanDerWaalsContact C-N 3.3Å; L795-H797 PolarHBondContact O-N 3.24Å; H797-K799 VanDerWaalsContact C-N 3.32Å; H797-K799 HydrophobicContact CB-CG 4.46Å; H797-K799 PolarHBondContact O-N 3.14Å; H797-I853 HydrophobicContact CB-CD1 3.71Å; H797-I853 HydrophobicContact CB-CG1 4.13Å
798	G	84.3	Confident	88.7	Confident	12 Å²	12	24.8 Å²	24.8	12%	0.124	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	22.6	176	0	0	0	0	0	113.5	L795 V796 L864 M969	L795-G798 WeakPolarHBondContact O-CA 3.47Å; L795-G798 PolarHBondContact O-N 2.87Å; V796-G798 PolarHBondContact O-N 3.22Å; G798-L864 VanDerWaalsContact O-CD1 3.31Å; G798-L864 WeakPolarHBondContact O-CD1 3.37Å; G798-M969 WeakPolarHBondContact O-CE 3.49Å
799	K	90.2	Very high	88.6	Confident	37 Å²	37	31.2 Å²	31.2	16%	0.161	17%	0.169	C	C	.	.			trans	-105.4	160.6	179	-47.1	-52.1	-162.9	166.6	0	110.7	I794 L795 H797 I853 F860 M863 L864 I866	I794-K799 HydrophobicContact CG2-CB 3.78Å; I794-K799 WeakPolarHBondContact O-CB 3.33Å; I794-K799 PolarHBondContact O-N 2.88Å; L795-K799 WeakPolarHBondContact CA-O 3.24Å; L795-K799 WeakPolarHBondContact CD2-O 3.49Å; H797-K799 VanDerWaalsContact C-N 3.32Å; H797-K799 HydrophobicContact CB-CG 4.46Å; H797-K799 PolarHBondContact O-N 3.14Å; K799-I853 HydrophobicContact CG-CD1 3.76Å; K799-F860 PolarHBondContact NZ-O 2.91Å; K799-M863 WeakPolarHBondContact CD-O 3.38Å; K799-M863 WeakPolarHBondContact CE-O 3.37Å; K799-M863 PolarHBondContact NZ-O 3.33Å; K799-L864 CarbonylContact C-O 3.49Å; K799-L864 VanDerWaalsContact CA-O 3.26Å; K799-L864 WeakPolarHBondContact CA-O 3.29Å; K799-I866 HydrophobicContact CB-CD1 4.28Å; K799-I866 HydrophobicContact CB-CG1 4.37Å; K799-I866 HydrophobicContact CG-CD1 4.42Å
800	Q	91.8	Very high	88.9	Confident	13 Å²	13	30.1 Å²	30.1	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	154.7	163.2	-72.7	-171.1	-16.7	0	0	110.1	R280 S814 L864 K865 I866 L973	R280-Q800 VanDerWaalsContact NH1-NE2 3.19Å; Q800-S814 VanDerWaalsContact NE2-CB 3.32Å; Q800-L864 PolarHBondContact N-O 2.93Å; Q800-K865 HydrophobicContact CB-CG 4.2Å; Q800-I866 PolarHBondContact O-N 3.33Å; Q800-L973 VanDerWaalsContact CD-CD2 3.41Å; Q800-L973 HydrophobicContact CG-CD1 4.41Å; Q800-L973 HydrophobicContact CG-CD2 3.92Å; Q800-L973 VanDerWaalsContact NE2-CD1 3.29Å
801	V	94.6	Very high	89.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.7	172.9	64.9	0	0	0	0	109.7	I791 I794 I813 I866 V868	I791-V801 HydrophobicContact CG1-CG1 4.37Å; I791-V801 HydrophobicContact CG2-CG1 4.03Å; I794-V801 HydrophobicContact CG2-CB 4.37Å; V801-I813 HydrophobicContact CG1-CB 3.72Å; V801-I813 HydrophobicContact CG1-CD1 4.36Å; V801-I813 HydrophobicContact CG1-CG1 4.48Å; V801-I813 HydrophobicContact CG1-CG2 4.2Å; V801-I813 PolarHBondContact N-O 2.88Å; V801-I813 PolarHBondContact O-N 3.03Å; V801-I866 WeakPolarHBondContact CA-O 3.17Å; V801-V868 HydrophobicContact CG2-CG2 3.67Å
802	T	93.8	Very high	89.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.5	171.3	76.2	0	0	0	0	111.7	E810 E811 V812 K865 I866 R867 V868	T802-E810 WeakPolarHBondContact CB-OE2 3.24Å; T802-E810 PolarHBondContact OG1-OE2 3.05Å; T802-E811 WeakPolarHBondContact CA-O 3.44Å; T802-E811 WeakPolarHBondContact CB-O 3.37Å; T802-V812 HydrophobicContact CG2-CB 4.37Å; T802-V812 HydrophobicContact CG2-CG1 4.39Å; T802-V812 HydrophobicContact CG2-CG2 3.91Å; T802-K865 HydrophobicContact CG2-CD 4.12Å; T802-K865 HydrophobicContact CG2-CG 3.88Å; T802-I866 PolarHBondContact N-O 3.48Å; T802-R867 HydrophobicContact CG2-CG 4.28Å; T802-R867 VanDerWaalsContact OG1-CA 3.23Å; T802-R867 WeakPolarHBondContact OG1-CA 3.21Å; T802-R867 WeakPolarHBondContact OG1-CB 3.37Å; T802-R867 WeakPolarHBondContact OG1-CG 3.49Å; T802-V868 WeakPolarHBondContact O-CG2 3.09Å; T802-V868 PolarHBondContact O-N 3.07Å; T802-V868 VanDerWaalsContact O-N 3.12Å
803	L	93.4	Very high	89.3	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.5	178	-62.9	-178.8	0	0	0	109.2	E810 E811 I813 I825 I826 V846 V868	L803-E810 WeakPolarHBondContact O-CA 3.34Å; L803-E811 PolarHBondContact N-O 2.89Å; L803-E811 PolarHBondContact O-N 3.43Å; L803-I813 HydrophobicContact CD1-CD1 3.66Å; L803-I813 HydrophobicContact CG-CD1 4.14Å; L803-I825 HydrophobicContact CB-CG2 4.05Å; L803-I825 HydrophobicContact CD1-CG2 4.08Å; L803-I826 HydrophobicContact CD1-CD1 4.49Å; L803-I826 HydrophobicContact CD1-CG1 3.72Å; L803-V846 HydrophobicContact CD2-CG2 3.89Å; L803-V868 HydrophobicContact CD2-CB 4.27Å; L803-V868 HydrophobicContact CD2-CG2 4Å
804	G	90.7	Very high	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	162.2	164.1	-177.5	0	0	0	0	0	111.8	Q842 G869	G804-Q842 PolarHBondContact O-NE2 3.37Å; G804-G869 WeakPolarHBondContact O-CA 3.42Å
805	L	88.4	Confident	88.6	Confident	36 Å²	36	36.9 Å²	36.9	19%	0.188	20%	0.2	C	C	.	.			trans	-77.3	143.3	178.4	-171.6	66.2	0	0	0	110.5	G807 H808 P832 E838	L805-G807 PolarHBondContact O-N 3.06Å; L805-H808 HydrophobicContact CB-CB 4.17Å; L805-H808 VanDerWaalsContact CD2-CD2 3.43Å; L805-H808 WeakPolarHBondContact CD2-CD2 3.45Å; L805-H808 PolarHBondContact O-N 3.34Å; L805-P832 HydrophobicContact CD2-CG 4.11Å; L805-E838 HydrophobicContact CD1-CB 4.36Å; L805-E838 HydrophobicContact CD1-CG 3.73Å
806	F	87.4	Confident	88.4	Confident	65 Å²	65	36.8 Å²	36.8	29%	0.285	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	132.1	174.7	174.7	-97.8	0	0	0	111	H808 W870 Q873	F806-H808 VanDerWaalsContact C-N 3.27Å; F806-H808 PolarHBondContact O-CD2 3.38Å; F806-H808 PolarHBondContact O-N 3.39Å; F806-W870 AromaticContact CD2-CD2 3.73Å; F806-W870 HydrophobicContact CD2-CD2 3.73Å; F806-W870 AromaticContact CD2-CE2 3.85Å; F806-W870 HydrophobicContact CD2-CE3 4.07Å; F806-W870 HydrophobicContact CD2-CG 4.01Å; F806-W870 HydrophobicContact CD2-CZ2 4.33Å; F806-W870 AromaticContact CE2-CD2 3.73Å; F806-W870 HydrophobicContact CE2-CD2 3.73Å; F806-W870 AromaticContact CE2-CE2 3.87Å; F806-W870 AromaticContact CE2-CE3 3.6Å; F806-W870 HydrophobicContact CE2-CE3 3.6Å; F806-W870 HydrophobicContact CE2-CG 4.44Å; F806-W870 AromaticContact CE2-CH2 3.89Å; F806-W870 HydrophobicContact CE2-CH2 3.89Å; F806-W870 AromaticContact CE2-CZ2 3.97Å; F806-W870 HydrophobicContact CE2-CZ2 3.97Å; F806-W870 AromaticContact CE2-CZ3 3.71Å; F806-W870 HydrophobicContact CE2-CZ3 3.71Å; F806-Q873 HydrophobicContact CB-CB 4.46Å; F806-Q873 HydrophobicContact CD1-CG 4.25Å; F806-Q873 HydrophobicContact CD2-CB 3.82Å; F806-Q873 HydrophobicContact CD2-CG 3.94Å; F806-Q873 HydrophobicContact CE1-CG 4.21Å; F806-Q873 HydrophobicContact CE2-CB 4.23Å; F806-Q873 HydrophobicContact CE2-CG 3.89Å; F806-Q873 HydrophobicContact CG-CB 4.04Å; F806-Q873 HydrophobicContact CG-CG 4.12Å; F806-Q873 HydrophobicContact CZ-CG 4.04Å
807	G	82.8	Confident	88.4	Confident	56 Å²	56	39 Å²	39	58%	0.577	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	3.4	-177.2	0	0	0	0	0	115.4	L805	L805-G807 PolarHBondContact O-N 3.06Å
808	H	85.6	Confident	88.2	Confident	114 Å²	114	38.9 Å²	38.9	53%	0.528	22%	0.217	S	C	.	.	S	Bend	trans	-120.2	-179.2	179	-66.6	-88	0	0	0	112.2	L805 F806 E810	L805-H808 HydrophobicContact CB-CB 4.17Å; L805-H808 VanDerWaalsContact CD2-CD2 3.43Å; L805-H808 WeakPolarHBondContact CD2-CD2 3.45Å; L805-H808 PolarHBondContact O-N 3.34Å; F806-H808 VanDerWaalsContact C-N 3.27Å; F806-H808 PolarHBondContact O-CD2 3.38Å; F806-H808 PolarHBondContact O-N 3.39Å; H808-E810 PolarHBondContact O-N 3.31Å
809	E	85.4	Confident	88.2	Confident	135 Å²	135	41 Å²	41	63%	0.631	23%	0.228	S	C	*	.			trans	-62.7	133.9	175.9	-159.6	-163.6	163.7	0	0	111.2	K829	E809-K829 IonicContact OE1-NZ 3.48Å; E809-K829 PolarHBondContact OE1-NZ 3.14Å; E809-K829 IonicContact OE2-NZ 3.25Å; E809-K829 PolarHBondContact OE2-NZ 2.91Å
810	E	89.9	Confident	87.9	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.047	24%	0.244	C	C	.	.			trans	-120.5	140.6	179.4	-67.7	169.8	-152.3	0	0	110.4	T802 L803 H808 R867 W870	T802-E810 WeakPolarHBondContact CB-OE2 3.24Å; T802-E810 PolarHBondContact OG1-OE2 3.05Å; L803-E810 WeakPolarHBondContact O-CA 3.34Å; H808-E810 PolarHBondContact O-N 3.31Å; E810-R867 VanDerWaalsContact CD-NH2 3.28Å; E810-R867 IonicContact OE1-CZ 3.97Å; E810-R867 VanDerWaalsContact OE1-CZ 3.31Å; E810-R867 IonicContact OE1-NE 2.8Å; E810-R867 PolarHBondContact OE1-NE 2.86Å; E810-R867 IonicContact OE1-NH2 2.68Å; E810-R867 PolarHBondContact OE1-NH2 3.46Å; E810-R867 IonicContact OE2-CZ 2.8Å; E810-R867 IonicContact OE2-NE 3.92Å; E810-R867 PolarHBondContact OE2-NE 2.67Å; E810-R867 IonicContact OE2-NH2 3.66Å; E810-R867 PolarHBondContact OE2-NH2 3.46Å; E810-W870 PolarHBondContact OE1-NE1 3.2Å
811	E	92.9	Very high	87.7	Confident	73 Å²	73	44.3 Å²	44.3	34%	0.341	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.7	172.1	-168	62.3	-145.5	0	0	110.5	T802 L803 I825 K829	T802-E811 WeakPolarHBondContact CA-O 3.44Å; T802-E811 WeakPolarHBondContact CB-O 3.37Å; L803-E811 PolarHBondContact N-O 2.89Å; L803-E811 PolarHBondContact O-N 3.43Å; E811-I825 HydrophobicContact CB-CG2 3.61Å; E811-I825 HydrophobicContact CG-CD1 3.98Å; E811-I825 HydrophobicContact CG-CG1 4.13Å; E811-I825 HydrophobicContact CG-CG2 3.85Å; E811-K829 HydrophobicContact CB-CG 4.13Å
812	V	92.1	Very high	87.5	Confident	44 Å²	44	44.4 Å²	44.4	27%	0.267	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.2	178.9	-176.1	0	0	0	0	109.7	T802 S814	T802-V812 HydrophobicContact CG2-CB 4.37Å; T802-V812 HydrophobicContact CG2-CG1 4.39Å; T802-V812 HydrophobicContact CG2-CG2 3.91Å; V812-S814 PolarHBondContact O-N 2.74Å
813	I	91.7	Very high	87.4	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	110.9	171.6	-55.3	176.9	0	0	0	107.8	I791 L795 V801 L803 N815 L817 I825	I791-I813 HydrophobicContact CD1-CD1 3.95Å; I791-I813 HydrophobicContact CG2-CG2 3.83Å; L795-I813 HydrophobicContact CD1-CG2 4.48Å; L795-I813 WeakPolarHBondContact CD2-O 3.46Å; V801-I813 HydrophobicContact CG1-CB 3.72Å; V801-I813 HydrophobicContact CG1-CD1 4.36Å; V801-I813 HydrophobicContact CG1-CG1 4.48Å; V801-I813 HydrophobicContact CG1-CG2 4.2Å; V801-I813 PolarHBondContact N-O 2.88Å; V801-I813 PolarHBondContact O-N 3.03Å; L803-I813 HydrophobicContact CD1-CD1 3.66Å; L803-I813 HydrophobicContact CG-CD1 4.14Å; I813-N815 WeakPolarHBondContact CG2-O 3.47Å; I813-L817 HydrophobicContact CD1-CD1 4.33Å; I813-L817 HydrophobicContact CG1-CD1 4.04Å; I813-L817 HydrophobicContact CG2-CD1 3.94Å; I813-L817 HydrophobicContact CG2-CG 4.12Å; I813-I825 HydrophobicContact CD1-CD1 4.42Å; I813-I825 HydrophobicContact CG1-CD1 4.4Å
814	S	84.1	Confident	87.2	Confident	37 Å²	37	49.5 Å²	49.5	26%	0.259	30%	0.298	S	S	.	.			trans	-119.4	-6.1	-176.6	66.7	0	0	0	0	114.3	Q800 V812	Q800-S814 VanDerWaalsContact NE2-CB 3.32Å; V812-S814 PolarHBondContact O-N 2.74Å
815	N	82.4	Confident	87.2	Confident	61 Å²	61	50.5 Å²	50.5	33%	0.326	30%	0.303	S	S	.	.	S	Bend	trans	-137	153.4	173.9	-67.3	-55.9	0	0	0	109	P208 I813 L817	P208-N815 HydrophobicContact CG-CB 4.41Å; I813-N815 WeakPolarHBondContact CG2-O 3.47Å; N815-L817 WeakPolarHBondContact O-CG 3.41Å; N815-L817 PolarHBondContact O-N 2.86Å
816	P	84.6	Confident	87.3	Confident	18 Å²	18	48.9 Å²	48.9	12%	0.117	29%	0.294	C	S	.	.			trans	-59.8	126.8	174.5	-21.2	32.7	0	0	0	110.9	R206 T792 L795	R206-P816 HydrophobicContact CB-CB 3.76Å; R206-P816 HydrophobicContact CB-CG 4.24Å; R206-P816 WeakPolarHBondContact O-CB 3.13Å; T792-P816 HydrophobicContact CG2-CG 4.24Å; L795-P816 HydrophobicContact CD1-CG 4.05Å
817	L	84.4	Confident	87.5	Confident	51 Å²	51	47.3 Å²	47.3	27%	0.267	29%	0.287	S	S	.	.			trans	-109	160.6	-178.5	-60.5	179.2	0	0	0	111.1	R206 I813 N815 V821 I822 I825	R206-L817 PolarHBondContact NH2-O 2.8Å; I813-L817 HydrophobicContact CD1-CD1 4.33Å; I813-L817 HydrophobicContact CG1-CD1 4.04Å; I813-L817 HydrophobicContact CG2-CD1 3.94Å; I813-L817 HydrophobicContact CG2-CG 4.12Å; N815-L817 WeakPolarHBondContact O-CG 3.41Å; N815-L817 PolarHBondContact O-N 2.86Å; L817-V821 HydrophobicContact CB-CB 4.49Å; L817-V821 HydrophobicContact CB-CG1 4.33Å; L817-V821 HydrophobicContact CD1-CG1 4.01Å; L817-I822 HydrophobicContact CB-CD1 4.18Å; L817-I822 HydrophobicContact CB-CG1 3.79Å; L817-I825 HydrophobicContact CD1-CD1 3.65Å
818	S	81.4	Confident	87.7	Confident	52 Å²	52	48.3 Å²	48.3	36%	0.364	29%	0.285	S	S	.	.			trans	-69.6	151.8	173.5	73.5	0	0	0	0	111.1	G820 V821 I822	S818-G820 VanDerWaalsContact C-N 3.3Å; S818-G820 PolarHBondContact O-N 3.11Å; S818-V821 PolarHBondContact O-N 2.81Å; S818-V821 VanDerWaalsContact O-N 3.16Å; S818-V821 VanDerWaalsContact OG-CG2 3.26Å; S818-V821 WeakPolarHBondContact OG-CG2 3.3Å; S818-I822 WeakPolarHBondContact O-CG1 3.45Å; S818-I822 PolarHBondContact O-N 3.09Å; S818-I822 VanDerWaalsContact O-N 3.12Å
819	P	84	Confident	87.9	Confident	56 Å²	56	45 Å²	45	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-55	-41.7	-178.2	-27.7	36.9	0	0	0	114.1	Y783 A788 V821 I822 Q823	Y783-P819 HydrophobicContact CE1-CB 3.73Å; Y783-P819 WeakPolarHBondContact OH-CA 3.24Å; A788-P819 HydrophobicContact CB-CG 4.25Å; P819-V821 PolarHBondContact O-N 3.04Å; P819-I822 PolarHBondContact O-N 3.49Å; P819-Q823 PolarHBondContact O-N 3.05Å
820	G	84.6	Confident	87.8	Confident	48 Å²	48	38.5 Å²	38.5	50%	0.495	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-36.9	178.9	0	0	0	0	0	113.5	S818 Q823 G824	S818-G820 VanDerWaalsContact C-N 3.3Å; S818-G820 PolarHBondContact O-N 3.11Å; G820-Q823 PolarHBondContact O-N 3.23Å; G820-G824 PolarHBondContact O-N 2.71Å
821	V	87.9	Confident	87.1	Confident	72 Å²	72	39.4 Å²	39.4	44%	0.436	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-43.3	174.6	174.1	0	0	0	0	110.4	L817 S818 P819 Q823 G824 I825	L817-V821 HydrophobicContact CB-CB 4.49Å; L817-V821 HydrophobicContact CB-CG1 4.33Å; L817-V821 HydrophobicContact CD1-CG1 4.01Å; S818-V821 PolarHBondContact O-N 2.81Å; S818-V821 VanDerWaalsContact O-N 3.16Å; S818-V821 VanDerWaalsContact OG-CG2 3.26Å; S818-V821 WeakPolarHBondContact OG-CG2 3.3Å; P819-V821 PolarHBondContact O-N 3.04Å; V821-Q823 PolarHBondContact O-N 3.38Å; V821-G824 PolarHBondContact O-N 3.47Å; V821-I825 HydrophobicContact CG1-CD1 4.03Å; V821-I825 WeakPolarHBondContact O-CG1 3.34Å; V821-I825 PolarHBondContact O-N 2.98Å
822	I	90.5	Very high	85.8	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-44.2	177.7	-62	160	0	0	0	110.8	Y783 I787 A788 I791 L817 S818 P819 G824 I825 I826	Y783-I822 HydrophobicContact CE2-CB 4.32Å; Y783-I822 HydrophobicContact CE2-CG2 4.12Å; I787-I822 HydrophobicContact CG2-CG2 3.78Å; A788-I822 HydrophobicContact CB-CD1 3.65Å; I791-I822 HydrophobicContact CD1-CD1 4.01Å; I791-I822 HydrophobicContact CD1-CG1 4.24Å; I791-I822 HydrophobicContact CD1-CG2 3.83Å; L817-I822 HydrophobicContact CB-CD1 4.18Å; L817-I822 HydrophobicContact CB-CG1 3.79Å; S818-I822 WeakPolarHBondContact O-CG1 3.45Å; S818-I822 PolarHBondContact O-N 3.09Å; S818-I822 VanDerWaalsContact O-N 3.12Å; P819-I822 PolarHBondContact O-N 3.49Å; I822-G824 VanDerWaalsContact C-N 3.3Å; I822-G824 PolarHBondContact O-N 3.34Å; I822-I825 PolarHBondContact O-N 3.3Å; I822-I826 HydrophobicContact CG2-CD1 3.75Å; I822-I826 HydrophobicContact CG2-CG1 4.39Å; I822-I826 WeakPolarHBondContact O-CG1 3.17Å; I822-I826 PolarHBondContact O-N 3.3Å
823	Q	90.4	Very high	84	Confident	67 Å²	67	44.6 Å²	44.6	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-57.9	-44.7	175	-172.2	-178.2	17.7	0	0	111.1	K781 Y783 P819 G820 V821 I825 I826 Y827	K781-Q823 PolarHBondContact O-NE2 3.06Å; Y783-Q823 HydrophobicContact CD2-CB 3.6Å; Y783-Q823 HydrophobicContact CD2-CG 3.9Å; Y783-Q823 HydrophobicContact CE2-CB 4.01Å; Y783-Q823 HydrophobicContact CG-CB 4.1Å; Y783-Q823 HydrophobicContact CG-CG 4.15Å; P819-Q823 PolarHBondContact O-N 3.05Å; G820-Q823 PolarHBondContact O-N 3.23Å; V821-Q823 PolarHBondContact O-N 3.38Å; Q823-I825 PolarHBondContact O-N 3.04Å; Q823-I826 PolarHBondContact O-N 3.25Å; Q823-Y827 HydrophobicContact CG-CD2 3.93Å; Q823-Y827 HydrophobicContact CG-CE2 4.17Å; Q823-Y827 WeakPolarHBondContact O-CD2 3.29Å; Q823-Y827 PolarHBondContact O-N 2.99Å; Q823-Y827 VanDerWaalsContact O-N 3.08Å
824	G	90.3	Very high	82.3	Confident	42 Å²	42	47.1 Å²	47.1	43%	0.433	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-44.4	175.5	0	0	0	0	0	113.2	G820 V821 I822 S828	G820-G824 PolarHBondContact O-N 2.71Å; V821-G824 PolarHBondContact O-N 3.47Å; I822-G824 VanDerWaalsContact C-N 3.3Å; I822-G824 PolarHBondContact O-N 3.34Å; G824-S828 WeakPolarHBondContact O-CB 3.44Å; G824-S828 PolarHBondContact O-N 3.1Å; G824-S828 PolarHBondContact O-OG 3.48Å
825	I	90.9	Very high	81.3	Confident	20 Å²	20	46 Å²	46	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-49.6	175.8	-66.8	165.9	0	0	0	111	L803 E811 I813 L817 V821 I822 Q823 Y827 S828 K829	L803-I825 HydrophobicContact CB-CG2 4.05Å; L803-I825 HydrophobicContact CD1-CG2 4.08Å; E811-I825 HydrophobicContact CB-CG2 3.61Å; E811-I825 HydrophobicContact CG-CD1 3.98Å; E811-I825 HydrophobicContact CG-CG1 4.13Å; E811-I825 HydrophobicContact CG-CG2 3.85Å; I813-I825 HydrophobicContact CD1-CD1 4.42Å; I813-I825 HydrophobicContact CG1-CD1 4.4Å; L817-I825 HydrophobicContact CD1-CD1 3.65Å; V821-I825 HydrophobicContact CG1-CD1 4.03Å; V821-I825 WeakPolarHBondContact O-CG1 3.34Å; V821-I825 PolarHBondContact O-N 2.98Å; I822-I825 PolarHBondContact O-N 3.3Å; Q823-I825 PolarHBondContact O-N 3.04Å; I825-Y827 PolarHBondContact O-N 2.98Å; I825-S828 WeakPolarHBondContact CA-OG 3.27Å; I825-S828 PolarHBondContact O-N 2.75Å; I825-S828 PolarHBondContact O-OG 3.01Å; I825-S828 VanDerWaalsContact O-OG 3.14Å; I825-K829 HydrophobicContact CG2-CG 4.36Å; I825-K829 WeakPolarHBondContact O-CB 3.4Å; I825-K829 PolarHBondContact O-N 3.42Å
826	I	91	Very high	80.9	Confident	3 Å²	3	45 Å²	45	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-52.2	-178.3	-72.7	161.3	0	0	0	110.5	Y783 I787 L803 I822 Q823 S828 C830 A839 Q843	Y783-I826 HydrophobicContact CE2-CD1 4.32Å; I787-I826 HydrophobicContact CD1-CD1 4.25Å; L803-I826 HydrophobicContact CD1-CD1 4.49Å; L803-I826 HydrophobicContact CD1-CG1 3.72Å; I822-I826 HydrophobicContact CG2-CD1 3.75Å; I822-I826 HydrophobicContact CG2-CG1 4.39Å; I822-I826 WeakPolarHBondContact O-CG1 3.17Å; I822-I826 PolarHBondContact O-N 3.3Å; Q823-I826 PolarHBondContact O-N 3.25Å; I826-S828 VanDerWaalsContact C-N 3.33Å; I826-S828 PolarHBondContact O-N 2.94Å; I826-C830 WeakPolarHBondContact O-CA 3.39Å; I826-C830 WeakPolarHBondContact O-CB 3.31Å; I826-C830 PolarHBondContact O-N 2.96Å; I826-A839 HydrophobicContact CG2-CB 3.7Å; I826-A839 WeakPolarHBondContact CG2-O 3.22Å; I826-Q843 HydrophobicContact CD1-CG 3.65Å; I826-Q843 HydrophobicContact CG1-CG 4.49Å; I826-Q843 HydrophobicContact CG2-CG 4.2Å
827	Y	89.7	Confident	80.8	Confident	32 Å²	32	47.4 Å²	47.4	13%	0.125	30%	0.297	C	S	.	.	H	α-helix	trans	-80.2	-11.6	-175.9	-74.6	-74.1	0	0	0	114	A777 A778 K781 K782 Q823 I825 S831 A839	A777-Y827 PolarHBondContact O-OH 2.77Å; A778-Y827 WeakPolarHBondContact O-CE1 3.43Å; K781-Y827 VanDerWaalsContact CA-CZ 3.41Å; K781-Y827 WeakPolarHBondContact CA-OH 3.43Å; K781-Y827 HydrophobicContact CB-CD2 4.34Å; K781-Y827 HydrophobicContact CB-CE1 4.26Å; K781-Y827 HydrophobicContact CB-CE2 4.03Å; K781-Y827 HydrophobicContact CG-CD1 4.14Å; K781-Y827 HydrophobicContact CG-CE1 4.14Å; K781-Y827 HydrophobicContact CG-CG 4.39Å; K782-Y827 PolarHBondContact N-OH 3.29Å; K782-Y827 PolarHBondContact O-OH 3.03Å; Q823-Y827 HydrophobicContact CG-CD2 3.93Å; Q823-Y827 HydrophobicContact CG-CE2 4.17Å; Q823-Y827 WeakPolarHBondContact O-CD2 3.29Å; Q823-Y827 PolarHBondContact O-N 2.99Å; Q823-Y827 VanDerWaalsContact O-N 3.08Å; I825-Y827 PolarHBondContact O-N 2.98Å; Y827-S831 WeakPolarHBondContact O-CB 3.42Å; Y827-A839 HydrophobicContact CD1-CB 3.97Å; Y827-A839 HydrophobicContact CE1-CB 3.88Å
828	S	88.6	Confident	81	Confident	76 Å²	76	45.2 Å²	45.2	53%	0.531	29%	0.286	S	S	.	.	H	α-helix	trans	-92.3	-41	172.9	58.4	0	0	0	0	113	G824 I825 I826	G824-S828 WeakPolarHBondContact O-CB 3.44Å; G824-S828 PolarHBondContact O-N 3.1Å; G824-S828 PolarHBondContact O-OG 3.48Å; I825-S828 WeakPolarHBondContact CA-OG 3.27Å; I825-S828 PolarHBondContact O-N 2.75Å; I825-S828 PolarHBondContact O-OG 3.01Å; I825-S828 VanDerWaalsContact O-OG 3.14Å; I826-S828 VanDerWaalsContact C-N 3.33Å; I826-S828 PolarHBondContact O-N 2.94Å
829	K	88.3	Confident	81.4	Confident	44 Å²	44	42.8 Å²	42.8	19%	0.191	27%	0.269	C	S	.	.	H	α-helix	trans	-96.6	-31	-173.9	-60.7	-64.7	-165.8	-179	0	113.9	E809 E811 I825	E809-K829 IonicContact OE1-NZ 3.48Å; E809-K829 PolarHBondContact OE1-NZ 3.14Å; E809-K829 IonicContact OE2-NZ 3.25Å; E809-K829 PolarHBondContact OE2-NZ 2.91Å; E811-K829 HydrophobicContact CB-CG 4.13Å; I825-K829 HydrophobicContact CG2-CG 4.36Å; I825-K829 WeakPolarHBondContact O-CB 3.4Å; I825-K829 PolarHBondContact O-N 3.42Å
830	C	83.4	Confident	81.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-93.5	-1	179.8	-47.2	0	0	0	0	113	I826 P832 A839 Q842	I826-C830 WeakPolarHBondContact O-CA 3.39Å; I826-C830 WeakPolarHBondContact O-CB 3.31Å; I826-C830 PolarHBondContact O-N 2.96Å; C830-P832 VanDerWaalsContact C-CD 3.43Å; C830-A839 HydrophobicContact CB-CB 4.07Å; C830-Q842 PolarHBondContact SG-OE1 3.46Å
831	S	75.4	Confident	82.2	Confident	29 Å²	29	37.8 Å²	37.8	20%	0.203	23%	0.228	C	C	.	.			trans	-128.9	42.5	-176.6	-169.9	0	0	0	0	115.4	Y827 E836	Y827-S831 WeakPolarHBondContact O-CB 3.42Å; S831-E836 WeakPolarHBondContact OG-CA 3.45Å; S831-E836 WeakPolarHBondContact OG-CG 3.47Å
832	P	65.7	Low	82.5	Confident	51 Å²	51	34.4 Å²	34.4	33%	0.331	21%	0.207	S	C	.	.	S	Bend	trans	-61.5	153.9	164.9	28.2	-30.9	0	0	0	110.1	L805 C830 G834 G835	L805-P832 HydrophobicContact CD2-CG 4.11Å; C830-P832 VanDerWaalsContact C-CD 3.43Å; P832-G834 PolarHBondContact O-N 2.94Å; P832-G834 VanDerWaalsContact O-N 3.07Å; P832-G835 PolarHBondContact O-N 3.28Å
833	L	55.6	Low	82.6	Confident	174 Å²	174	34.4 Å²	34.4	91%	0.911	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-33.2	109.9	-171.5	-83.9	149.3	0	0	0	113.6
834	G	55.8	Low	82.8	Confident	55 Å²	55	31.2 Å²	31.2	57%	0.567	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.7	-11	178.2	0	0	0	0	0	116.1	P832	P832-G834 PolarHBondContact O-N 2.94Å; P832-G834 VanDerWaalsContact O-N 3.07Å
835	G	63.4	Low	83.1	Confident	14 Å²	14	29.2 Å²	29.2	14%	0.144	17%	0.171	C	C	.	.			trans	-95.8	11.6	-175.2	0	0	0	0	0	117.3	P832 R837 E838	P832-G835 PolarHBondContact O-N 3.28Å; G835-R837 PolarHBondContact O-N 3.31Å; G835-E838 WeakPolarHBondContact O-CB 3.42Å; G835-E838 PolarHBondContact O-N 3.16Å
836	E	74.1	Confident	83.3	Confident	40 Å²	40	28.3 Å²	28.3	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-53.9	-31.3	-168.7	-57.3	-171.9	169	0	0	114.7	C736 R740 A778 S831 E838 A839	C736-E836 PolarHBondContact SG-OE2 2.78Å; R740-E836 IonicContact CZ-OE1 2.9Å; R740-E836 IonicContact NE-OE1 2.77Å; R740-E836 PolarHBondContact NE-OE1 2.63Å; R740-E836 IonicContact NH2-OE1 2.77Å; R740-E836 PolarHBondContact NH2-OE1 2.91Å; R740-E836 IonicContact NH2-OE2 2.97Å; A778-E836 HydrophobicContact CB-CB 3.89Å; A778-E836 WeakPolarHBondContact CB-O 3.34Å; S831-E836 WeakPolarHBondContact OG-CA 3.45Å; S831-E836 WeakPolarHBondContact OG-CG 3.47Å; E836-E838 VanDerWaalsContact C-N 3.32Å; E836-E838 PolarHBondContact O-N 3.44Å; E836-A839 WeakPolarHBondContact O-CB 3.35Å; E836-A839 PolarHBondContact O-N 2.98Å
837	R	81.6	Confident	83.4	Confident	69 Å²	69	29 Å²	29	26%	0.26	17%	0.17	S	C	.	.	H	α-helix	trans	-67	-29.1	177.2	-69.3	175.5	-86.5	-168.1	7.6	113.7	H775 G835 A839 V840 L841 Y892	H775-R837 WeakPolarHBondContact CE1-CD 3.45Å; H775-R837 VanDerWaalsContact CE1-CZ 3.46Å; H775-R837 PolarHBondContact CE1-NE 3.26Å; H775-R837 WeakPolarHBondContact NE2-CD 3.2Å; H775-R837 PolarHBondContact NE2-NH1 3.05Å; H775-R837 VanDerWaalsContact NE2-NH1 3.14Å; G835-R837 PolarHBondContact O-N 3.31Å; R837-A839 VanDerWaalsContact C-N 3.33Å; R837-V840 PolarHBondContact O-N 3.3Å; R837-L841 PolarHBondContact O-N 3.37Å; R837-Y892 HydrophobicContact CB-CD1 4.02Å; R837-Y892 HydrophobicContact CB-CE1 4.01Å
838	E	87.6	Confident	83.7	Confident	5 Å²	5	27.9 Å²	27.9	2%	0.023	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-38	177.7	-81.3	-74.4	168.1	0	0	111.4	L805 G835 E836 V840 L841 Q842 V872 K876 Y892	L805-E838 HydrophobicContact CD1-CB 4.36Å; L805-E838 HydrophobicContact CD1-CG 3.73Å; G835-E838 WeakPolarHBondContact O-CB 3.42Å; G835-E838 PolarHBondContact O-N 3.16Å; E836-E838 VanDerWaalsContact C-N 3.32Å; E836-E838 PolarHBondContact O-N 3.44Å; E838-V840 PolarHBondContact O-N 3.07Å; E838-L841 PolarHBondContact O-N 3.19Å; E838-Q842 WeakPolarHBondContact O-CB 3.26Å; E838-Q842 WeakPolarHBondContact O-CG 3.49Å; E838-Q842 PolarHBondContact O-N 3.33Å; E838-V872 WeakPolarHBondContact OE1-CG1 3.48Å; E838-K876 IonicContact OE1-NZ 3.86Å; E838-K876 PolarHBondContact OE1-NZ 3.39Å; E838-Y892 WeakPolarHBondContact CG-OH 3.33Å; E838-Y892 PolarHBondContact OE1-OH 2.86Å
839	A	90.1	Very high	84	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.5	-35.4	175.2	0	0	0	0	0	112.4	I826 Y827 C830 E836 R837 Q843	I826-A839 HydrophobicContact CG2-CB 3.7Å; I826-A839 WeakPolarHBondContact CG2-O 3.22Å; Y827-A839 HydrophobicContact CD1-CB 3.97Å; Y827-A839 HydrophobicContact CE1-CB 3.88Å; C830-A839 HydrophobicContact CB-CB 4.07Å; E836-A839 WeakPolarHBondContact O-CB 3.35Å; E836-A839 PolarHBondContact O-N 2.98Å; R837-A839 VanDerWaalsContact C-N 3.33Å; A839-Q843 VanDerWaalsContact O-CG 3.27Å; A839-Q843 WeakPolarHBondContact O-CG 3.34Å; A839-Q843 PolarHBondContact O-NE2 2.91Å; A839-Q843 VanDerWaalsContact O-NE2 3.16Å
840	V	92.2	Very high	84.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-80.5	-43.3	178.1	-177.1	0	0	0	0	111.1	F577 Y578 R774 A777 A778 R837 E838 Q842 Q843 E844	F577-V840 HydrophobicContact CE2-CG1 4.46Å; F577-V840 HydrophobicContact CZ-CG1 3.86Å; Y578-V840 HydrophobicContact CE1-CG1 3.78Å; Y578-V840 WeakPolarHBondContact OH-CG1 3.14Å; R774-V840 HydrophobicContact CB-CG1 4.46Å; R774-V840 HydrophobicContact CG-CG1 4.1Å; A777-V840 HydrophobicContact CB-CG1 4.23Å; A777-V840 HydrophobicContact CB-CG2 4.14Å; A778-V840 HydrophobicContact CB-CG2 3.61Å; R837-V840 PolarHBondContact O-N 3.3Å; E838-V840 PolarHBondContact O-N 3.07Å; V840-Q842 PolarHBondContact O-N 3.06Å; V840-Q843 WeakPolarHBondContact O-CB 3.46Å; V840-Q843 PolarHBondContact O-N 3.31Å; V840-E844 PolarHBondContact O-N 3.22Å
841	L	93.5	Very high	84.5	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-41.7	178.2	-178.8	62	0	0	0	112.1	R837 E838 Q843 E844 L845 V872 I891 Y892 I899	R837-L841 PolarHBondContact O-N 3.37Å; E838-L841 PolarHBondContact O-N 3.19Å; L841-Q843 VanDerWaalsContact C-N 3.27Å; L841-Q843 PolarHBondContact O-N 3.16Å; L841-E844 WeakPolarHBondContact O-CB 3.35Å; L841-E844 PolarHBondContact O-N 3.18Å; L841-E844 VanDerWaalsContact O-N 3.15Å; L841-L845 HydrophobicContact CG-CD1 4.36Å; L841-L845 WeakPolarHBondContact O-CG 3.31Å; L841-L845 PolarHBondContact O-N 2.85Å; L841-V872 HydrophobicContact CD2-CG1 4.08Å; L841-V872 HydrophobicContact CD2-CG2 4.12Å; L841-I891 HydrophobicContact CD2-CD1 4.01Å; L841-I891 HydrophobicContact CD2-CG1 4.28Å; L841-I891 HydrophobicContact CD2-CG2 4.39Å; L841-Y892 HydrophobicContact CB-CE1 4.34Å; L841-Y892 HydrophobicContact CD2-CD1 4.16Å; L841-Y892 HydrophobicContact CD2-CE1 3.75Å; L841-I899 HydrophobicContact CD1-CD1 4.01Å; L841-I899 HydrophobicContact CD1-CG1 4.35Å; L841-I899 HydrophobicContact CD1-CG2 4.21Å
842	Q	93.7	Very high	85.4	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-30.7	177.3	-67	-165.7	24	0	0	112.2	G804 C830 E838 V840 L845 V846 V868	G804-Q842 PolarHBondContact O-NE2 3.37Å; C830-Q842 PolarHBondContact SG-OE1 3.46Å; E838-Q842 WeakPolarHBondContact O-CB 3.26Å; E838-Q842 WeakPolarHBondContact O-CG 3.49Å; E838-Q842 PolarHBondContact O-N 3.33Å; V840-Q842 PolarHBondContact O-N 3.06Å; Q842-L845 PolarHBondContact O-N 2.73Å; Q842-V846 VanDerWaalsContact O-CG2 3.26Å; Q842-V846 WeakPolarHBondContact O-CG2 3.39Å; Q842-V846 PolarHBondContact O-N 3.17Å; Q842-V868 HydrophobicContact CB-CG1 3.85Å; Q842-V868 HydrophobicContact CG-CG1 3.78Å
843	Q	93.8	Very high	86.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-46.9	170.3	-72.4	-178.9	80.1	0	0	111.6	K782 I787 I826 A839 V840 L841 L845 V846 I847	K782-Q843 PolarHBondContact O-NE2 3.05Å; K782-Q843 PolarHBondContact O-OE1 3Å; I787-Q843 HydrophobicContact CD1-CB 3.78Å; I787-Q843 HydrophobicContact CD1-CG 3.46Å; I787-Q843 VanDerWaalsContact CD1-CG 3.46Å; I826-Q843 HydrophobicContact CD1-CG 3.65Å; I826-Q843 HydrophobicContact CG1-CG 4.49Å; I826-Q843 HydrophobicContact CG2-CG 4.2Å; A839-Q843 VanDerWaalsContact O-CG 3.27Å; A839-Q843 WeakPolarHBondContact O-CG 3.34Å; A839-Q843 PolarHBondContact O-NE2 2.91Å; A839-Q843 VanDerWaalsContact O-NE2 3.16Å; V840-Q843 WeakPolarHBondContact O-CB 3.46Å; V840-Q843 PolarHBondContact O-N 3.31Å; L841-Q843 VanDerWaalsContact C-N 3.27Å; L841-Q843 PolarHBondContact O-N 3.16Å; Q843-L845 VanDerWaalsContact C-N 3.33Å; Q843-L845 PolarHBondContact O-N 3.05Å; Q843-V846 PolarHBondContact O-N 3.34Å; Q843-I847 VanDerWaalsContact O-CG1 3.3Å; Q843-I847 WeakPolarHBondContact O-CG1 3.29Å; Q843-I847 PolarHBondContact O-N 2.92Å
844	E	94.3	Very high	88.1	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.5	-47.3	174.8	-58.3	-178.5	-150.9	0	0	111	F577 Y578 L579 R774 V840 L841 V846 I847 H848	F577-E844 HydrophobicContact CE1-CG 4.41Å; Y578-E844 PolarHBondContact OH-OE1 3.43Å; L579-E844 HydrophobicContact CD2-CB 4.48Å; L579-E844 HydrophobicContact CD2-CG 3.97Å; R774-E844 IonicContact CZ-OE1 2.69Å; R774-E844 VanDerWaalsContact CZ-OE1 3.32Å; R774-E844 IonicContact CZ-OE2 3.13Å; R774-E844 IonicContact NE-OE1 3.25Å; R774-E844 PolarHBondContact NE-OE1 2.98Å; R774-E844 IonicContact NE-OE2 3.57Å; R774-E844 IonicContact NH2-OE1 3.28Å; R774-E844 PolarHBondContact NH2-OE1 3.47Å; R774-E844 VanDerWaalsContact NH2-OE1 3.1Å; R774-E844 IonicContact NH2-OE2 3.01Å; R774-E844 PolarHBondContact NH2-OE2 3.44Å; V840-E844 PolarHBondContact O-N 3.22Å; L841-E844 WeakPolarHBondContact O-CB 3.35Å; L841-E844 PolarHBondContact O-N 3.18Å; L841-E844 VanDerWaalsContact O-N 3.15Å; E844-V846 PolarHBondContact O-N 2.87Å; E844-I847 PolarHBondContact O-N 2.82Å; E844-H848 PolarHBondContact O-CD2 3.15Å; E844-H848 PolarHBondContact O-N 3.45Å
845	L	95.9	Very high	89.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.8	-40.7	-178.5	-69	178.7	0	0	0	112.5	L841 Q842 Q843 I847 H848 I849 V868 V872 M875 I899 L903	L841-L845 HydrophobicContact CG-CD1 4.36Å; L841-L845 WeakPolarHBondContact O-CG 3.31Å; L841-L845 PolarHBondContact O-N 2.85Å; Q842-L845 PolarHBondContact O-N 2.73Å; Q843-L845 VanDerWaalsContact C-N 3.33Å; Q843-L845 PolarHBondContact O-N 3.05Å; L845-I847 VanDerWaalsContact C-N 3.29Å; L845-I847 PolarHBondContact O-N 3.37Å; L845-H848 PolarHBondContact O-N 3.18Å; L845-I849 HydrophobicContact CB-CD1 4.4Å; L845-I849 VanDerWaalsContact O-CB 3.26Å; L845-I849 WeakPolarHBondContact O-CB 3.5Å; L845-I849 WeakPolarHBondContact O-CD1 3.46Å; L845-I849 WeakPolarHBondContact O-CG1 3.44Å; L845-I849 PolarHBondContact O-N 2.74Å; L845-V868 HydrophobicContact CB-CG1 3.81Å; L845-V868 HydrophobicContact CD1-CG1 4Å; L845-V872 HydrophobicContact CD1-CG2 3.34Å; L845-M875 HydrophobicContact CD1-SD 4.21Å; L845-M875 HydrophobicContact CD2-CE 4.09Å; L845-M875 HydrophobicContact CD2-SD 3.74Å; L845-I899 HydrophobicContact CD2-CG2 3.89Å; L845-L903 HydrophobicContact CD2-CD2 4.17Å
846	V	96.1	Very high	90.8	Very high	2 Å²	2	19 Å²	19	1%	0.012	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-41	175.9	169.1	0	0	0	0	111.1	I787 I791 L803 Q842 Q843 E844 G850 V868	I787-V846 HydrophobicContact CG2-CG1 4.07Å; I791-V846 HydrophobicContact CD1-CG1 4.26Å; I791-V846 HydrophobicContact CG1-CG1 3.55Å; L803-V846 HydrophobicContact CD2-CG2 3.89Å; Q842-V846 VanDerWaalsContact O-CG2 3.26Å; Q842-V846 WeakPolarHBondContact O-CG2 3.39Å; Q842-V846 PolarHBondContact O-N 3.17Å; Q843-V846 PolarHBondContact O-N 3.34Å; E844-V846 PolarHBondContact O-N 2.87Å; V846-G850 PolarHBondContact O-N 2.96Å; V846-V868 HydrophobicContact CG2-CG2 3.93Å
847	I	93	Very high	91.5	Very high	16 Å²	16	20 Å²	20	8%	0.082	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-48.5	176.3	-65.1	166.4	0	0	0	110	L579 A784 S786 I787 Q843 E844 L845 G850 W851	L579-I847 HydrophobicContact CD1-CD1 3.57Å; L579-I847 HydrophobicContact CD1-CG2 4.35Å; A784-I847 HydrophobicContact CB-CD1 3.81Å; S786-I847 WeakPolarHBondContact OG-CD1 3.48Å; I787-I847 HydrophobicContact CG1-CD1 4.11Å; I787-I847 HydrophobicContact CG1-CG1 4.04Å; Q843-I847 VanDerWaalsContact O-CG1 3.3Å; Q843-I847 WeakPolarHBondContact O-CG1 3.29Å; Q843-I847 PolarHBondContact O-N 2.92Å; E844-I847 PolarHBondContact O-N 2.82Å; L845-I847 VanDerWaalsContact C-N 3.29Å; L845-I847 PolarHBondContact O-N 3.37Å; I847-G850 PolarHBondContact O-N 2.94Å; I847-W851 WeakPolarHBondContact O-CB 3.45Å; I847-W851 PolarHBondContact O-N 3.07Å
848	H	94.8	Very high	92	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-45.3	178.6	-66.6	-37.4	0	0	0	112.7	E844 L845 G850 W851 I852 P896 L903	E844-H848 PolarHBondContact O-CD2 3.15Å; E844-H848 PolarHBondContact O-N 3.45Å; L845-H848 PolarHBondContact O-N 3.18Å; H848-G850 VanDerWaalsContact C-N 3.35Å; H848-G850 PolarHBondContact O-N 3.28Å; H848-W851 WeakPolarHBondContact O-CB 3.39Å; H848-W851 PolarHBondContact O-N 3.48Å; H848-W851 VanDerWaalsContact O-N 3.13Å; H848-I852 VanDerWaalsContact O-CG1 3.23Å; H848-I852 WeakPolarHBondContact O-CG1 3.47Å; H848-I852 PolarHBondContact O-N 3.32Å; H848-P896 PolarHBondContact NE2-O 3.09Å; H848-L903 HydrophobicContact CB-CD2 3.81Å
849	I	95.9	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-46.7	176.7	-69.7	164.4	0	0	0	110.1	I794 L845 W851 I852 I853 F860 I866 V868 I871 L903	I794-I849 HydrophobicContact CD1-CB 4.25Å; I794-I849 HydrophobicContact CD1-CG2 3.63Å; I794-I849 HydrophobicContact CG1-CG2 4.02Å; L845-I849 HydrophobicContact CB-CD1 4.4Å; L845-I849 VanDerWaalsContact O-CB 3.26Å; L845-I849 WeakPolarHBondContact O-CB 3.5Å; L845-I849 WeakPolarHBondContact O-CD1 3.46Å; L845-I849 WeakPolarHBondContact O-CG1 3.44Å; L845-I849 PolarHBondContact O-N 2.74Å; I849-W851 PolarHBondContact O-N 3.26Å; I849-I852 PolarHBondContact O-N 2.88Å; I849-I853 WeakPolarHBondContact O-CB 3.26Å; I849-I853 WeakPolarHBondContact O-CG2 3.37Å; I849-I853 PolarHBondContact O-N 2.7Å; I849-F860 HydrophobicContact CB-CZ 4.48Å; I849-F860 HydrophobicContact CG2-CE1 3.81Å; I849-F860 HydrophobicContact CG2-CZ 3.86Å; I849-I866 HydrophobicContact CD1-CG2 3.84Å; I849-I866 HydrophobicContact CG2-CD1 3.74Å; I849-I866 HydrophobicContact CG2-CG2 4.16Å; I849-V868 HydrophobicContact CD1-CG2 4.44Å; I849-I871 HydrophobicContact CD1-CD1 3.7Å; I849-L903 HydrophobicContact CG1-CD2 3.83Å
850	G	92.6	Very high	92.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-32.4	176.6	0	0	0	0	0	112.7	V846 I847 H848 S854	V846-G850 PolarHBondContact O-N 2.96Å; I847-G850 PolarHBondContact O-N 2.94Å; H848-G850 VanDerWaalsContact C-N 3.35Å; H848-G850 PolarHBondContact O-N 3.28Å; G850-S854 PolarHBondContact O-OG 2.96Å
851	W	89.6	Confident	92.3	Very high	58 Å²	58	25.4 Å²	25.4	22%	0.22	14%	0.141	C	C	.	.	H	α-helix	trans	-73.6	-47.4	172.8	-177.4	87.5	0	0	0	112.7	N592 I847 H848 I849 I853 S854 N855	N592-W851 PolarHBondContact ND2-NE1 2.97Å; I847-W851 WeakPolarHBondContact O-CB 3.45Å; I847-W851 PolarHBondContact O-N 3.07Å; H848-W851 WeakPolarHBondContact O-CB 3.39Å; H848-W851 PolarHBondContact O-N 3.48Å; H848-W851 VanDerWaalsContact O-N 3.13Å; I849-W851 PolarHBondContact O-N 3.26Å; W851-I853 PolarHBondContact O-N 3.41Å; W851-S854 PolarHBondContact O-N 2.84Å; W851-N855 PolarHBondContact O-N 3.22Å; W851-N855 PolarHBondContact O-ND2 3.05Å
852	I	93.3	Very high	92	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-43.6	-177.9	-61.4	166.1	0	0	0	109.8	H848 I849 S854 N855 N856 L859 F860 L903 L904 L907	H848-I852 VanDerWaalsContact O-CG1 3.23Å; H848-I852 WeakPolarHBondContact O-CG1 3.47Å; H848-I852 PolarHBondContact O-N 3.32Å; I849-I852 PolarHBondContact O-N 2.88Å; I852-S854 PolarHBondContact O-N 3.14Å; I852-N855 PolarHBondContact O-N 3.41Å; I852-N855 VanDerWaalsContact O-N 3.1Å; I852-N856 HydrophobicContact CG2-CB 4.28Å; I852-N856 CarbonylContact O-C 3.52Å; I852-N856 WeakPolarHBondContact O-CA 3.34Å; I852-N856 PolarHBondContact O-N 2.98Å; I852-L859 HydrophobicContact CG2-CD1 3.71Å; I852-F860 HydrophobicContact CB-CE2 3.95Å; I852-F860 HydrophobicContact CB-CZ 4.17Å; I852-F860 HydrophobicContact CG2-CE2 3.65Å; I852-F860 HydrophobicContact CG2-CZ 4.13Å; I852-L903 HydrophobicContact CD1-CD2 3.66Å; I852-L903 HydrophobicContact CD1-CG 3.99Å; I852-L904 HydrophobicContact CD1-CD2 3.73Å; I852-L904 HydrophobicContact CD1-CG 4.01Å; I852-L904 HydrophobicContact CG1-CD2 3.99Å; I852-L904 HydrophobicContact CG2-CD2 3.98Å; I852-L907 HydrophobicContact CD1-CD1 4.03Å; I852-L907 HydrophobicContact CG2-CD1 4.3Å
853	I	92.3	Very high	92	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-30.5	-177.4	-161.1	167.8	0	0	0	112.5	T793 I794 H797 K799 I849 W851 P857 F860	T793-I853 HydrophobicContact CG2-CG2 3.94Å; I794-I853 HydrophobicContact CG1-CG2 4.24Å; H797-I853 HydrophobicContact CB-CD1 3.71Å; H797-I853 HydrophobicContact CB-CG1 4.13Å; K799-I853 HydrophobicContact CG-CD1 3.76Å; I849-I853 WeakPolarHBondContact O-CB 3.26Å; I849-I853 WeakPolarHBondContact O-CG2 3.37Å; I849-I853 PolarHBondContact O-N 2.7Å; W851-I853 PolarHBondContact O-N 3.41Å; I853-P857 WeakPolarHBondContact O-CA 3.38Å; I853-P857 WeakPolarHBondContact O-CB 3.46Å; I853-F860 HydrophobicContact CB-CD2 3.75Å; I853-F860 HydrophobicContact CB-CE2 3.66Å; I853-F860 HydrophobicContact CB-CZ 4.36Å; I853-F860 HydrophobicContact CD1-CB 4.29Å; I853-F860 HydrophobicContact CD1-CD2 4.16Å; I853-F860 HydrophobicContact CD1-CG 4.14Å; I853-F860 HydrophobicContact CG1-CB 4.46Å; I853-F860 HydrophobicContact CG1-CD2 3.68Å; I853-F860 HydrophobicContact CG1-CE2 4.14Å; I853-F860 HydrophobicContact CG1-CG 4.15Å
854	S	86.2	Confident	91.9	Very high	58 Å²	58	26.7 Å²	26.7	41%	0.406	15%	0.153	S	C	.	.	H	α-helix	trans	-70.9	-32	174.5	-77.3	0	0	0	0	113.8	T793 G850 W851 I852	T793-S854 WeakPolarHBondContact CG2-OG 3.38Å; G850-S854 PolarHBondContact O-OG 2.96Å; W851-S854 PolarHBondContact O-N 2.84Å; I852-S854 PolarHBondContact O-N 3.14Å
855	N	86.3	Confident	91.7	Very high	82 Å²	82	26.9 Å²	26.9	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-98.2	-32	-175.2	-69.4	-80.2	0	0	0	112.7	W851 I852	W851-N855 PolarHBondContact O-N 3.22Å; W851-N855 PolarHBondContact O-ND2 3.05Å; I852-N855 PolarHBondContact O-N 3.41Å; I852-N855 VanDerWaalsContact O-N 3.1Å
856	N	90.4	Very high	91.7	Very high	58 Å²	58	26.9 Å²	26.9	31%	0.31	15%	0.153	S	C	.	.			trans	-139.7	62.1	-173.2	-66.4	109.4	0	0	0	110.6	I852 E858 L859	I852-N856 HydrophobicContact CG2-CB 4.28Å; I852-N856 CarbonylContact O-C 3.52Å; I852-N856 WeakPolarHBondContact O-CA 3.34Å; I852-N856 PolarHBondContact O-N 2.98Å; N856-E858 WeakPolarHBondContact CA-OE1 3.39Å; N856-E858 VanDerWaalsContact CA-OE2 3.27Å; N856-E858 WeakPolarHBondContact CA-OE2 3.45Å; N856-E858 VanDerWaalsContact CB-OE1 3.24Å; N856-E858 WeakPolarHBondContact CB-OE1 3.2Å; N856-E858 PolarHBondContact ND2-OE1 3.11Å; N856-E858 PolarHBondContact O-N 3.07Å; N856-E858 VanDerWaalsContact O-N 3.15Å; N856-L859 HydrophobicContact CB-CD1 3.74Å; N856-L859 HydrophobicContact CB-CG 4.06Å; N856-L859 PolarHBondContact O-N 3.13Å
857	P	89.6	Confident	91.6	Very high	62 Å²	62	27.5 Å²	27.5	40%	0.403	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-58.8	-26.2	-178	24.5	-34.5	0	0	0	113.3	I853 L859 F860	I853-P857 WeakPolarHBondContact O-CA 3.38Å; I853-P857 WeakPolarHBondContact O-CB 3.46Å; P857-L859 PolarHBondContact O-N 3.42Å; P857-F860 PolarHBondContact O-N 2.87Å; P857-F860 VanDerWaalsContact O-N 3.09Å
858	E	90.3	Very high	91.7	Very high	105 Å²	105	26.8 Å²	26.8	49%	0.491	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-59.8	-29.4	178	68.4	-74.4	172.9	0	0	113.7	N856 F860 S861	N856-E858 WeakPolarHBondContact CA-OE1 3.39Å; N856-E858 VanDerWaalsContact CA-OE2 3.27Å; N856-E858 WeakPolarHBondContact CA-OE2 3.45Å; N856-E858 VanDerWaalsContact CB-OE1 3.24Å; N856-E858 WeakPolarHBondContact CB-OE1 3.2Å; N856-E858 PolarHBondContact ND2-OE1 3.11Å; N856-E858 PolarHBondContact O-N 3.07Å; N856-E858 VanDerWaalsContact O-N 3.15Å; E858-F860 PolarHBondContact O-N 3.36Å; E858-S861 WeakPolarHBondContact O-CB 3.29Å; E858-S861 PolarHBondContact O-N 2.81Å
859	L	92.6	Very high	91.6	Very high	11 Å²	11	26.4 Å²	26.4	6%	0.058	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.8	-21.5	177.5	-66.7	178	0	0	0	112.5	I852 N856 P857 L904 L907 R928	I852-L859 HydrophobicContact CG2-CD1 3.71Å; N856-L859 HydrophobicContact CB-CD1 3.74Å; N856-L859 HydrophobicContact CB-CG 4.06Å; N856-L859 PolarHBondContact O-N 3.13Å; P857-L859 PolarHBondContact O-N 3.42Å; L859-L904 HydrophobicContact CD1-CD2 4.08Å; L859-L907 HydrophobicContact CB-CB 4.39Å; L859-R928 PolarHBondContact O-NH2 3.46Å
860	F	93.5	Very high	91.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-101.1	14	176.9	-59.6	-86.9	0	0	0	112.5	K799 I849 I852 I853 P857 E858 G862 M863 I866 L907	K799-F860 PolarHBondContact NZ-O 2.91Å; I849-F860 HydrophobicContact CB-CZ 4.48Å; I849-F860 HydrophobicContact CG2-CE1 3.81Å; I849-F860 HydrophobicContact CG2-CZ 3.86Å; I852-F860 HydrophobicContact CB-CE2 3.95Å; I852-F860 HydrophobicContact CB-CZ 4.17Å; I852-F860 HydrophobicContact CG2-CE2 3.65Å; I852-F860 HydrophobicContact CG2-CZ 4.13Å; I853-F860 HydrophobicContact CB-CD2 3.75Å; I853-F860 HydrophobicContact CB-CE2 3.66Å; I853-F860 HydrophobicContact CB-CZ 4.36Å; I853-F860 HydrophobicContact CD1-CB 4.29Å; I853-F860 HydrophobicContact CD1-CD2 4.16Å; I853-F860 HydrophobicContact CD1-CG 4.14Å; I853-F860 HydrophobicContact CG1-CB 4.46Å; I853-F860 HydrophobicContact CG1-CD2 3.68Å; I853-F860 HydrophobicContact CG1-CE2 4.14Å; I853-F860 HydrophobicContact CG1-CG 4.15Å; P857-F860 PolarHBondContact O-N 2.87Å; P857-F860 VanDerWaalsContact O-N 3.09Å; E858-F860 PolarHBondContact O-N 3.36Å; F860-G862 PolarHBondContact O-N 3.38Å; F860-M863 HydrophobicContact CD1-CE 4Å; F860-M863 HydrophobicContact CD1-SD 4.04Å; F860-M863 HydrophobicContact CE1-CE 4.48Å; F860-M863 PolarHBondContact O-N 2.61Å; F860-M863 VanDerWaalsContact O-N 3.14Å; F860-I866 HydrophobicContact CD1-CD1 3.84Å; F860-I866 HydrophobicContact CE1-CD1 4.04Å; F860-L907 HydrophobicContact CD1-CD2 4.29Å; F860-L907 HydrophobicContact CE1-CD1 3.9Å; F860-L907 HydrophobicContact CE1-CD2 3.86Å; F860-L907 HydrophobicContact CE2-CD1 4.23Å; F860-L907 HydrophobicContact CZ-CD1 3.54Å; F860-L907 HydrophobicContact CZ-CD2 4.35Å
861	S	89.8	Confident	91.6	Very high	70 Å²	70	26.7 Å²	26.7	49%	0.49	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	135.5	172.6	-170.8	0	0	0	0	110.3	E858 M863	E858-S861 WeakPolarHBondContact O-CB 3.29Å; E858-S861 PolarHBondContact O-N 2.81Å; S861-M863 PolarHBondContact O-N 3.43Å
862	G	88.7	Confident	91.9	Very high	19 Å²	19	24 Å²	24	20%	0.196	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	-1.9	-175.9	0	0	0	0	0	115.7	F860 T929	F860-G862 PolarHBondContact O-N 3.38Å; G862-T929 VanDerWaalsContact CA-O 3.24Å; G862-T929 WeakPolarHBondContact CA-O 3.5Å; G862-T929 PolarHBondContact O-N 2.82Å; G862-T929 PolarHBondContact O-OG1 3.05Å; G862-T929 VanDerWaalsContact O-OG1 3.12Å
863	M	92.9	Very high	91.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-103	103.4	177.4	-61.9	169.7	62.3	0	0	109.5	K799 F860 S861 L907 L926 R928	K799-M863 WeakPolarHBondContact CD-O 3.38Å; K799-M863 WeakPolarHBondContact CE-O 3.37Å; K799-M863 PolarHBondContact NZ-O 3.33Å; F860-M863 HydrophobicContact CD1-CE 4Å; F860-M863 HydrophobicContact CD1-SD 4.04Å; F860-M863 HydrophobicContact CE1-CE 4.48Å; F860-M863 PolarHBondContact O-N 2.61Å; F860-M863 VanDerWaalsContact O-N 3.14Å; S861-M863 PolarHBondContact O-N 3.43Å; M863-L907 HydrophobicContact CE-CD2 4.11Å; M863-L907 HydrophobicContact SD-CD2 4.12Å; M863-L926 HydrophobicContact CE-CB 3.98Å; M863-L926 HydrophobicContact CE-CD2 4.06Å; M863-L926 HydrophobicContact CE-CG 4.5Å; M863-L926 WeakPolarHBondContact CE-O 3.35Å; M863-L926 WeakPolarHBondContact CG-O 3.46Å; M863-L926 HydrophobicContact SD-CB 4.24Å; M863-R928 HydrophobicContact CG-CB 3.99Å; M863-R928 HydrophobicContact CG-CG 4.3Å
864	L	91	Very high	91.9	Very high	9 Å²	9	26 Å²	26	5%	0.047	15%	0.151	C	C	.	.	S	Bend	trans	-83.5	-40.4	178.5	178.5	55.4	0	0	0	112.7	G798 K799 Q800 Y934 M969 L973 E976	G798-L864 VanDerWaalsContact O-CD1 3.31Å; G798-L864 WeakPolarHBondContact O-CD1 3.37Å; K799-L864 CarbonylContact C-O 3.49Å; K799-L864 VanDerWaalsContact CA-O 3.26Å; K799-L864 WeakPolarHBondContact CA-O 3.29Å; Q800-L864 PolarHBondContact N-O 2.93Å; L864-Y934 HydrophobicContact CB-CE2 4.27Å; L864-Y934 WeakPolarHBondContact CB-OH 3.3Å; L864-Y934 HydrophobicContact CD2-CE1 4.42Å; L864-Y934 HydrophobicContact CD2-CE2 4.19Å; L864-M969 HydrophobicContact CD1-CE 4.12Å; L864-M969 HydrophobicContact CD1-CG 4.3Å; L864-M969 HydrophobicContact CD1-SD 3.21Å; L864-M969 WeakPolarHBondContact CD1-SD 3.24Å; L864-M969 HydrophobicContact CD2-SD 4.23Å; L864-M969 HydrophobicContact CG-SD 4.36Å; L864-L973 HydrophobicContact CD1-CD2 4.3Å; L864-L973 HydrophobicContact CD2-CD2 3.65Å; L864-L973 HydrophobicContact CD2-CG 3.88Å; L864-L973 HydrophobicContact CG-CD2 3.72Å; L864-L973 HydrophobicContact CG-CG 4.39Å; L864-E976 HydrophobicContact CB-CG 4.22Å; L864-E976 HydrophobicContact CD2-CG 3.99Å; L864-E976 HydrophobicContact CG-CG 4.43Å
865	K	91.9	Very high	92.3	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.017	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.9	-177.3	-169.7	166.3	-178.2	164.6	0	109.4	Q800 T802 R867 D977	Q800-K865 HydrophobicContact CB-CG 4.2Å; T802-K865 HydrophobicContact CG2-CD 4.12Å; T802-K865 HydrophobicContact CG2-CG 3.88Å; K865-R867 HydrophobicContact CG-CG 4.23Å; K865-R867 PolarHBondContact O-N 3.49Å; K865-D977 IonicContact NZ-OD1 3.49Å; K865-D977 PolarHBondContact NZ-OD1 3.38Å
866	I	94.8	Very high	92.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	97.2	179	-58.3	-173.2	0	0	0	108.1	I794 K799 Q800 V801 T802 I849 F860 V868 I871	I794-I866 HydrophobicContact CG2-CD1 3.78Å; K799-I866 HydrophobicContact CB-CD1 4.28Å; K799-I866 HydrophobicContact CB-CG1 4.37Å; K799-I866 HydrophobicContact CG-CD1 4.42Å; Q800-I866 PolarHBondContact O-N 3.33Å; V801-I866 WeakPolarHBondContact CA-O 3.17Å; T802-I866 PolarHBondContact N-O 3.48Å; I849-I866 HydrophobicContact CD1-CG2 3.84Å; I849-I866 HydrophobicContact CG2-CD1 3.74Å; I849-I866 HydrophobicContact CG2-CG2 4.16Å; F860-I866 HydrophobicContact CD1-CD1 3.84Å; F860-I866 HydrophobicContact CE1-CD1 4.04Å; I866-V868 PolarHBondContact O-N 3.34Å; I866-I871 HydrophobicContact CG2-CD1 3.51Å
867	R	93.7	Very high	92.7	Very high	15 Å²	15	21.6 Å²	21.6	6%	0.057	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	99.3	178.1	-58.8	178.6	76.2	176.1	3.9	109.9	T802 E810 K865 G869 W870 I871 N927	T802-R867 HydrophobicContact CG2-CG 4.28Å; T802-R867 VanDerWaalsContact OG1-CA 3.23Å; T802-R867 WeakPolarHBondContact OG1-CA 3.21Å; T802-R867 WeakPolarHBondContact OG1-CB 3.37Å; T802-R867 WeakPolarHBondContact OG1-CG 3.49Å; E810-R867 VanDerWaalsContact CD-NH2 3.28Å; E810-R867 IonicContact OE1-CZ 3.97Å; E810-R867 VanDerWaalsContact OE1-CZ 3.31Å; E810-R867 IonicContact OE1-NE 2.8Å; E810-R867 PolarHBondContact OE1-NE 2.86Å; E810-R867 IonicContact OE1-NH2 2.68Å; E810-R867 PolarHBondContact OE1-NH2 3.46Å; E810-R867 IonicContact OE2-CZ 2.8Å; E810-R867 IonicContact OE2-NE 3.92Å; E810-R867 PolarHBondContact OE2-NE 2.67Å; E810-R867 IonicContact OE2-NH2 3.66Å; E810-R867 PolarHBondContact OE2-NH2 3.46Å; K865-R867 HydrophobicContact CG-CG 4.23Å; K865-R867 PolarHBondContact O-N 3.49Å; R867-G869 VanDerWaalsContact C-N 3.33Å; R867-G869 PolarHBondContact O-N 3.05Å; R867-W870 HydrophobicContact CB-CB 3.95Å; R867-W870 HydrophobicContact CB-CG 4Å; R867-W870 VanDerWaalsContact CZ-CE2 3.46Å; R867-W870 VanDerWaalsContact NH2-NE1 3.12Å; R867-W870 PolarHBondContact O-N 2.97Å; R867-I871 PolarHBondContact O-N 2.8Å; R867-N927 WeakPolarHBondContact CD-ND2 3.4Å
868	V	95.3	Very high	92.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.7	-40	-169	-174.9	0	0	0	0	111.6	V801 T802 L803 Q842 L845 V846 I849 I866 W870 I871 V872	V801-V868 HydrophobicContact CG2-CG2 3.67Å; T802-V868 WeakPolarHBondContact O-CG2 3.09Å; T802-V868 PolarHBondContact O-N 3.07Å; T802-V868 VanDerWaalsContact O-N 3.12Å; L803-V868 HydrophobicContact CD2-CB 4.27Å; L803-V868 HydrophobicContact CD2-CG2 4Å; Q842-V868 HydrophobicContact CB-CG1 3.85Å; Q842-V868 HydrophobicContact CG-CG1 3.78Å; L845-V868 HydrophobicContact CB-CG1 3.81Å; L845-V868 HydrophobicContact CD1-CG1 4Å; V846-V868 HydrophobicContact CG2-CG2 3.93Å; I849-V868 HydrophobicContact CD1-CG2 4.44Å; I866-V868 PolarHBondContact O-N 3.34Å; V868-W870 VanDerWaalsContact C-N 3.3Å; V868-W870 PolarHBondContact O-N 2.85Å; V868-I871 WeakPolarHBondContact O-CB 3.37Å; V868-I871 PolarHBondContact O-N 3.17Å; V868-V872 WeakPolarHBondContact O-CG2 3.34Å; V868-V872 PolarHBondContact O-N 3.41Å
869	G	92.9	Very high	92.9	Very high	2 Å²	2	15 Å²	15	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-61	-34.8	174.4	0	0	0	0	0	114	G804 R867 V872 Q873	G804-G869 WeakPolarHBondContact O-CA 3.42Å; R867-G869 VanDerWaalsContact C-N 3.33Å; R867-G869 PolarHBondContact O-N 3.05Å; G869-V872 WeakPolarHBondContact O-CB 3.33Å; G869-V872 PolarHBondContact O-N 3.3Å; G869-Q873 PolarHBondContact O-N 3.37Å
870	W	93.6	Very high	92.8	Very high	4 Å²	4	21 Å²	21	2%	0.015	11%	0.108	C	C	.	.	H	α-helix	trans	-76.1	-30.8	176.3	-70.1	65.8	0	0	0	112.2	F806 E810 R867 V868 V872 Q873 A874 S925 I982 D983 P985	F806-W870 AromaticContact CD2-CD2 3.73Å; F806-W870 HydrophobicContact CD2-CD2 3.73Å; F806-W870 AromaticContact CD2-CE2 3.85Å; F806-W870 HydrophobicContact CD2-CE3 4.07Å; F806-W870 HydrophobicContact CD2-CG 4.01Å; F806-W870 HydrophobicContact CD2-CZ2 4.33Å; F806-W870 AromaticContact CE2-CD2 3.73Å; F806-W870 HydrophobicContact CE2-CD2 3.73Å; F806-W870 AromaticContact CE2-CE2 3.87Å; F806-W870 AromaticContact CE2-CE3 3.6Å; F806-W870 HydrophobicContact CE2-CE3 3.6Å; F806-W870 HydrophobicContact CE2-CG 4.44Å; F806-W870 AromaticContact CE2-CH2 3.89Å; F806-W870 HydrophobicContact CE2-CH2 3.89Å; F806-W870 AromaticContact CE2-CZ2 3.97Å; F806-W870 HydrophobicContact CE2-CZ2 3.97Å; F806-W870 AromaticContact CE2-CZ3 3.71Å; F806-W870 HydrophobicContact CE2-CZ3 3.71Å; E810-W870 PolarHBondContact OE1-NE1 3.2Å; R867-W870 HydrophobicContact CB-CB 3.95Å; R867-W870 HydrophobicContact CB-CG 4Å; R867-W870 VanDerWaalsContact CZ-CE2 3.46Å; R867-W870 VanDerWaalsContact NH2-NE1 3.12Å; R867-W870 PolarHBondContact O-N 2.97Å; V868-W870 VanDerWaalsContact C-N 3.3Å; V868-W870 PolarHBondContact O-N 2.85Å; W870-V872 VanDerWaalsContact C-N 3.32Å; W870-Q873 WeakPolarHBondContact O-CB 3.35Å; W870-Q873 PolarHBondContact O-N 3.32Å; W870-Q873 VanDerWaalsContact O-N 3.15Å; W870-A874 PolarHBondContact O-N 2.96Å; W870-S925 VanDerWaalsContact CB-O 3.23Å; W870-S925 WeakPolarHBondContact CB-O 3.34Å; W870-I982 WeakPolarHBondContact CH2-O 3.2Å; W870-D983 WeakPolarHBondContact CH2-O 3.49Å; W870-P985 HydrophobicContact CE3-CG 4.3Å; W870-P985 HydrophobicContact CZ3-CG 3.88Å
871	I	95.6	Very high	92.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-41.6	170.5	-67.2	172.8	0	0	0	110.3	I849 I866 R867 V868 Q873 A874 M875 L903 L926	I849-I871 HydrophobicContact CD1-CD1 3.7Å; I866-I871 HydrophobicContact CG2-CD1 3.51Å; R867-I871 PolarHBondContact O-N 2.8Å; V868-I871 WeakPolarHBondContact O-CB 3.37Å; V868-I871 PolarHBondContact O-N 3.17Å; I871-Q873 PolarHBondContact O-N 3.36Å; I871-A874 WeakPolarHBondContact O-CB 3.31Å; I871-A874 PolarHBondContact O-N 3.33Å; I871-A874 VanDerWaalsContact O-N 3.17Å; I871-M875 HydrophobicContact CG2-CG 4.45Å; I871-M875 HydrophobicContact CG2-SD 4.09Å; I871-M875 VanDerWaalsContact O-CG 3.28Å; I871-M875 WeakPolarHBondContact O-CG 3.18Å; I871-M875 PolarHBondContact O-N 3.08Å; I871-L903 HydrophobicContact CG2-CD1 3.5Å; I871-L903 VanDerWaalsContact CG2-CD1 3.5Å; I871-L926 HydrophobicContact CG1-CD2 3.84Å
872	V	94.4	Very high	92.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-41.8	172.4	176.9	0	0	0	0	110.7	E838 L841 L845 V868 G869 W870 M875 K876 I891	E838-V872 WeakPolarHBondContact OE1-CG1 3.48Å; L841-V872 HydrophobicContact CD2-CG1 4.08Å; L841-V872 HydrophobicContact CD2-CG2 4.12Å; L845-V872 HydrophobicContact CD1-CG2 3.34Å; V868-V872 WeakPolarHBondContact O-CG2 3.34Å; V868-V872 PolarHBondContact O-N 3.41Å; G869-V872 WeakPolarHBondContact O-CB 3.33Å; G869-V872 PolarHBondContact O-N 3.3Å; W870-V872 VanDerWaalsContact C-N 3.32Å; V872-M875 PolarHBondContact O-N 2.7Å; V872-K876 HydrophobicContact CG1-CD 4.26Å; V872-K876 WeakPolarHBondContact O-CG 3.42Å; V872-K876 PolarHBondContact O-N 3.37Å; V872-I891 HydrophobicContact CG1-CD1 4.35Å
873	Q	92.9	Very high	92.5	Very high	42 Å²	42	26.3 Å²	26.3	20%	0.196	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-43.6	176.4	-173	59.4	17.8	0	0	112	F806 G869 W870 I871 M875 K876 H877	F806-Q873 HydrophobicContact CB-CB 4.46Å; F806-Q873 HydrophobicContact CD1-CG 4.25Å; F806-Q873 HydrophobicContact CD2-CB 3.82Å; F806-Q873 HydrophobicContact CD2-CG 3.94Å; F806-Q873 HydrophobicContact CE1-CG 4.21Å; F806-Q873 HydrophobicContact CE2-CB 4.23Å; F806-Q873 HydrophobicContact CE2-CG 3.89Å; F806-Q873 HydrophobicContact CG-CB 4.04Å; F806-Q873 HydrophobicContact CG-CG 4.12Å; F806-Q873 HydrophobicContact CZ-CG 4.04Å; G869-Q873 PolarHBondContact O-N 3.37Å; W870-Q873 WeakPolarHBondContact O-CB 3.35Å; W870-Q873 PolarHBondContact O-N 3.32Å; W870-Q873 VanDerWaalsContact O-N 3.15Å; I871-Q873 PolarHBondContact O-N 3.36Å; Q873-M875 VanDerWaalsContact C-N 3.3Å; Q873-M875 PolarHBondContact O-N 3.47Å; Q873-K876 PolarHBondContact O-N 3.38Å; Q873-H877 PolarHBondContact NE2-NE2 3.45Å; Q873-H877 PolarHBondContact O-CD2 3.47Å; Q873-H877 PolarHBondContact O-N 2.92Å
874	A	93.8	Very high	92.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-40.8	173.8	0	0	0	0	0	112.2	W870 I871 H877 E878 V906	W870-A874 PolarHBondContact O-N 2.96Å; I871-A874 WeakPolarHBondContact O-CB 3.31Å; I871-A874 PolarHBondContact O-N 3.33Å; I871-A874 VanDerWaalsContact O-N 3.17Å; A874-H877 PolarHBondContact O-N 2.88Å; A874-E878 WeakPolarHBondContact O-CB 3.42Å; A874-E878 PolarHBondContact O-N 3.25Å; A874-V906 HydrophobicContact CB-CG1 3.74Å
875	M	95.1	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.1	-39.8	176.2	-68.2	172	73.8	0	0	112.2	L845 I871 V872 Q873 E878 L879 I891 I899 L902 L903 V906	L845-M875 HydrophobicContact CD1-SD 4.21Å; L845-M875 HydrophobicContact CD2-CE 4.09Å; L845-M875 HydrophobicContact CD2-SD 3.74Å; I871-M875 HydrophobicContact CG2-CG 4.45Å; I871-M875 HydrophobicContact CG2-SD 4.09Å; I871-M875 VanDerWaalsContact O-CG 3.28Å; I871-M875 WeakPolarHBondContact O-CG 3.18Å; I871-M875 PolarHBondContact O-N 3.08Å; V872-M875 PolarHBondContact O-N 2.7Å; Q873-M875 VanDerWaalsContact C-N 3.3Å; Q873-M875 PolarHBondContact O-N 3.47Å; M875-E878 PolarHBondContact O-N 2.9Å; M875-L879 WeakPolarHBondContact O-CG 3.33Å; M875-L879 PolarHBondContact O-N 3.09Å; M875-I891 HydrophobicContact CB-CD1 3.93Å; M875-I891 HydrophobicContact CE-CD1 4.11Å; M875-I891 HydrophobicContact SD-CD1 4.5Å; M875-I899 HydrophobicContact CE-CD1 4.34Å; M875-I899 HydrophobicContact CE-CG2 4.18Å; M875-I899 WeakPolarHBondContact CE-O 3.38Å; M875-L902 HydrophobicContact CB-CD2 3.93Å; M875-L902 HydrophobicContact CB-CG 4.12Å; M875-L902 HydrophobicContact CE-CB 3.89Å; M875-L902 HydrophobicContact CE-CD2 3.68Å; M875-L902 HydrophobicContact CE-CG 3.7Å; M875-L902 HydrophobicContact CG-CD2 4.41Å; M875-L902 HydrophobicContact CG-CG 4.16Å; M875-L903 HydrophobicContact CE-CB 4.27Å; M875-L903 HydrophobicContact SD-CB 4.37Å; M875-L903 HydrophobicContact SD-CD1 4.42Å; M875-V906 HydrophobicContact CB-CG2 4.48Å; M875-V906 HydrophobicContact CG-CG2 3.9Å
876	K	93.2	Very high	91.6	Very high	72 Å²	72	43.3 Å²	43.3	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-62.8	-41.6	172.7	-73.7	171.3	177.7	167.7	0	111.5	E838 V872 Q873 L879 K880	E838-K876 IonicContact OE1-NZ 3.86Å; E838-K876 PolarHBondContact OE1-NZ 3.39Å; V872-K876 HydrophobicContact CG1-CD 4.26Å; V872-K876 WeakPolarHBondContact O-CG 3.42Å; V872-K876 PolarHBondContact O-N 3.37Å; Q873-K876 PolarHBondContact O-N 3.38Å; K876-L879 PolarHBondContact O-N 3.41Å; K876-K880 PolarHBondContact O-N 3.38Å
877	H	90.6	Very high	91.1	Very high	35 Å²	35	47.7 Å²	47.7	16%	0.162	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-44.7	173.3	-76.2	-68.1	0	0	0	111.9	Q873 A874 L879 K880 I881	Q873-H877 PolarHBondContact NE2-NE2 3.45Å; Q873-H877 PolarHBondContact O-CD2 3.47Å; Q873-H877 PolarHBondContact O-N 2.92Å; A874-H877 PolarHBondContact O-N 2.88Å; H877-L879 VanDerWaalsContact C-N 3.34Å; H877-L879 PolarHBondContact O-N 2.96Å; H877-K880 WeakPolarHBondContact O-CB 3.43Å; H877-K880 PolarHBondContact O-N 2.87Å; H877-K880 VanDerWaalsContact O-N 3.14Å; H877-I881 VanDerWaalsContact O-CG1 3.28Å; H877-I881 WeakPolarHBondContact O-CG1 3.48Å; H877-I881 PolarHBondContact O-N 3.16Å
878	E	92	Very high	90.6	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-40	177.3	178.7	62.7	-163	0	0	112.2	A874 M875 I881 R882 L902 V906 R914	A874-E878 WeakPolarHBondContact O-CB 3.42Å; A874-E878 PolarHBondContact O-N 3.25Å; M875-E878 PolarHBondContact O-N 2.9Å; E878-I881 PolarHBondContact O-N 2.74Å; E878-R882 WeakPolarHBondContact O-CG 3.31Å; E878-R882 PolarHBondContact O-N 3.24Å; E878-R882 IonicContact OE1-CZ 3.4Å; E878-R882 IonicContact OE1-NE 3.82Å; E878-R882 PolarHBondContact OE1-NE 2.95Å; E878-R882 IonicContact OE1-NH2 3.39Å; E878-R882 PolarHBondContact OE1-NH2 3.28Å; E878-L902 HydrophobicContact CB-CD1 4.11Å; E878-L902 HydrophobicContact CG-CD1 3.63Å; E878-V906 HydrophobicContact CB-CG2 3.76Å; E878-V906 HydrophobicContact CG-CG2 4.01Å; E878-R914 VanDerWaalsContact CD-NH2 3.3Å; E878-R914 IonicContact OE1-NH2 2.87Å; E878-R914 PolarHBondContact OE1-NH2 3.14Å; E878-R914 IonicContact OE2-CZ 3.14Å; E878-R914 VanDerWaalsContact OE2-CZ 3.28Å; E878-R914 IonicContact OE2-NE 3.91Å; E878-R914 PolarHBondContact OE2-NE 2.79Å; E878-R914 IonicContact OE2-NH2 2.77Å; E878-R914 PolarHBondContact OE2-NH2 2.83Å
879	L	92.6	Very high	90.2	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-39.6	173	-72.4	171.5	0	0	0	112.4	M875 K876 H877 I881 R882 A883 I891 L894 L902	M875-L879 WeakPolarHBondContact O-CG 3.33Å; M875-L879 PolarHBondContact O-N 3.09Å; K876-L879 PolarHBondContact O-N 3.41Å; H877-L879 VanDerWaalsContact C-N 3.34Å; H877-L879 PolarHBondContact O-N 2.96Å; L879-I881 VanDerWaalsContact C-N 3.34Å; L879-R882 PolarHBondContact O-N 3.23Å; L879-A883 WeakPolarHBondContact O-CB 3.48Å; L879-A883 PolarHBondContact O-N 3.49Å; L879-I891 HydrophobicContact CD1-CB 4.01Å; L879-I891 HydrophobicContact CD1-CG1 4.4Å; L879-L894 HydrophobicContact CD1-CD1 4.23Å; L879-L894 HydrophobicContact CD2-CD1 4.39Å; L879-L902 HydrophobicContact CD1-CD2 3.76Å; L879-L902 HydrophobicContact CD2-CD1 4.28Å; L879-L902 HydrophobicContact CD2-CD2 3.94Å; L879-L902 HydrophobicContact CG-CD1 4.3Å; L879-L902 HydrophobicContact CG-CD2 3.71Å
880	K	91	Very high	89.9	Confident	139 Å²	139	58 Å²	58	60%	0.604	32%	0.316	S	S	*	.	H	α-helix	trans	-62.3	-41.8	173.8	-171.2	-179.2	179.4	-176.1	0	111.5	K876 H877 R882 A883 G884	K876-K880 PolarHBondContact O-N 3.38Å; H877-K880 WeakPolarHBondContact O-CB 3.43Å; H877-K880 PolarHBondContact O-N 2.87Å; H877-K880 VanDerWaalsContact O-N 3.14Å; K880-R882 VanDerWaalsContact C-N 3.35Å; K880-R882 PolarHBondContact O-N 3.4Å; K880-A883 PolarHBondContact O-N 3.47Å; K880-G884 PolarHBondContact O-N 3.11Å
881	I	88.1	Confident	89.8	Confident	56 Å²	56	58 Å²	58	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-43	176.5	-66.3	164.5	0	0	0	110.8	H877 E878 L879 A883 G884 N918 I922	H877-I881 VanDerWaalsContact O-CG1 3.28Å; H877-I881 WeakPolarHBondContact O-CG1 3.48Å; H877-I881 PolarHBondContact O-N 3.16Å; E878-I881 PolarHBondContact O-N 2.74Å; L879-I881 VanDerWaalsContact C-N 3.34Å; I881-A883 VanDerWaalsContact C-N 3.33Å; I881-G884 PolarHBondContact O-N 2.85Å; I881-N918 HydrophobicContact CD1-CB 3.73Å; I881-I922 HydrophobicContact CD1-CD1 4.24Å
882	R	89.4	Confident	89.5	Confident	123 Å²	123	59.4 Å²	59.4	46%	0.464	32%	0.321	S	S	.	.	H	α-helix	trans	-66.3	-34.6	177.8	-70.4	173.4	-166.7	-158	-0.8	113.2	E878 L879 K880 D905	E878-R882 WeakPolarHBondContact O-CG 3.31Å; E878-R882 PolarHBondContact O-N 3.24Å; E878-R882 IonicContact OE1-CZ 3.4Å; E878-R882 IonicContact OE1-NE 3.82Å; E878-R882 PolarHBondContact OE1-NE 2.95Å; E878-R882 IonicContact OE1-NH2 3.39Å; E878-R882 PolarHBondContact OE1-NH2 3.28Å; L879-R882 PolarHBondContact O-N 3.23Å; K880-R882 VanDerWaalsContact C-N 3.35Å; K880-R882 PolarHBondContact O-N 3.4Å; R882-D905 IonicContact CZ-OD2 2.59Å; R882-D905 IonicContact NH1-OD2 3.03Å; R882-D905 PolarHBondContact NH1-OD2 3.25Å; R882-D905 VanDerWaalsContact NH2-CG 3.27Å; R882-D905 IonicContact NH2-OD2 3.4Å; R882-D905 PolarHBondContact NH2-OD2 3.48Å
883	A	87.8	Confident	89.2	Confident	21 Å²	21	61.3 Å²	61.3	17%	0.174	33%	0.33	C	S	.	.	H	α-helix	trans	-74	-28.2	-178.9	0	0	0	0	0	112.8	L879 K880 I881 D885 L886 P888	L879-A883 WeakPolarHBondContact O-CB 3.48Å; L879-A883 PolarHBondContact O-N 3.49Å; K880-A883 PolarHBondContact O-N 3.47Å; I881-A883 VanDerWaalsContact C-N 3.33Å; A883-D885 PolarHBondContact O-N 2.89Å; A883-D885 VanDerWaalsContact O-N 3.17Å; A883-L886 WeakPolarHBondContact CB-O 3.5Å; A883-L886 WeakPolarHBondContact O-CB 3.04Å; A883-L886 PolarHBondContact O-N 3.5Å; A883-P888 HydrophobicContact CB-CB 4.19Å
884	G	86	Confident	89.2	Confident	54 Å²	54	59.9 Å²	59.9	56%	0.557	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	-116.8	-175.2	0	0	0	0	0	110.5	K880 I881 L886	K880-G884 PolarHBondContact O-N 3.11Å; I881-G884 PolarHBondContact O-N 2.85Å; G884-L886 VanDerWaalsContact C-N 3.35Å
885	D	83.6	Confident	89.1	Confident	180 Å²	180	60.1 Å²	60.1	96%	0.963	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.3	178.4	-60.5	-37.8	0	0	0	113.7	A883	A883-D885 PolarHBondContact O-N 2.89Å; A883-D885 VanDerWaalsContact O-N 3.17Å
886	L	87.8	Confident	88.9	Confident	136 Å²	136	60.1 Å²	60.1	71%	0.712	33%	0.325	S	S	*	.	S	Bend	trans	-83.8	160.3	177.3	-61.1	174.6	0	0	0	111.5	A883 G884	A883-L886 WeakPolarHBondContact CB-O 3.5Å; A883-L886 WeakPolarHBondContact O-CB 3.04Å; A883-L886 PolarHBondContact O-N 3.5Å; G884-L886 VanDerWaalsContact C-N 3.35Å
887	A	83.3	Confident	88.9	Confident	93 Å²	93	57.4 Å²	57.4	77%	0.769	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-63.3	129.3	171.8	0	0	0	0	0	110
888	P	84.6	Confident	89	Confident	73 Å²	73	58.6 Å²	58.6	47%	0.474	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-66.3	142.8	179.4	27.3	-33.4	0	0	0	110.7	A883	A883-P888 HydrophobicContact CB-CB 4.19Å
889	Q	86.1	Confident	89.2	Confident	108 Å²	108	58 Å²	58	51%	0.505	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.3	140.2	173.7	-171.2	173.5	16.9	0	0	110.4	I891 L894	Q889-I891 PolarHBondContact O-N 3.01Å; Q889-L894 VanDerWaalsContact CD-CD2 3.49Å; Q889-L894 HydrophobicContact CG-CD2 4.3Å
890	D	87.1	Confident	89.3	Confident	53 Å²	53	58.1 Å²	58.1	28%	0.283	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-70.2	120.9	174.7	-178.5	6.9	0	0	0	110.4	Y892 Q893	D890-Y892 PolarHBondContact O-N 2.93Å; D890-Y892 VanDerWaalsContact O-N 3.17Å; D890-Y892 WeakPolarHBondContact OD1-CD2 3.43Å; D890-Y892 PolarHBondContact OD1-N 3.39Å; D890-Y892 VanDerWaalsContact OD1-N 3.07Å; D890-Q893 HydrophobicContact CB-CG 4.02Å; D890-Q893 WeakPolarHBondContact O-CB 3.39Å; D890-Q893 PolarHBondContact O-N 2.99Å
891	I	91.4	Very high	89.4	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.021	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-54.5	-34.5	178.4	-168.7	169	0	0	0	112.1	L841 V872 M875 L879 Q889 Q893 L894 I899	L841-I891 HydrophobicContact CD2-CD1 4.01Å; L841-I891 HydrophobicContact CD2-CG1 4.28Å; L841-I891 HydrophobicContact CD2-CG2 4.39Å; V872-I891 HydrophobicContact CG1-CD1 4.35Å; M875-I891 HydrophobicContact CB-CD1 3.93Å; M875-I891 HydrophobicContact CE-CD1 4.11Å; M875-I891 HydrophobicContact SD-CD1 4.5Å; L879-I891 HydrophobicContact CD1-CB 4.01Å; L879-I891 HydrophobicContact CD1-CG1 4.4Å; Q889-I891 PolarHBondContact O-N 3.01Å; I891-Q893 PolarHBondContact O-N 3.32Å; I891-L894 HydrophobicContact CG1-CD1 4.37Å; I891-L894 WeakPolarHBondContact O-CB 3.45Å; I891-L894 PolarHBondContact O-N 3.32Å; I891-I899 HydrophobicContact CD1-CD1 4.29Å; I891-I899 HydrophobicContact CG1-CD1 3.56Å
892	Y	89.8	Confident	89.8	Confident	29 Å²	29	53.6 Å²	53.6	11%	0.114	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-74.1	-7.3	-177.7	-53.1	-70.3	0	0	0	113.8	L771 R774 R837 E838 L841 D890	L771-Y892 WeakPolarHBondContact CA-O 3.48Å; L771-Y892 PolarHBondContact N-O 2.53Å; R774-Y892 PolarHBondContact NH1-O 2.78Å; R837-Y892 HydrophobicContact CB-CD1 4.02Å; R837-Y892 HydrophobicContact CB-CE1 4.01Å; E838-Y892 WeakPolarHBondContact CG-OH 3.33Å; E838-Y892 PolarHBondContact OE1-OH 2.86Å; L841-Y892 HydrophobicContact CB-CE1 4.34Å; L841-Y892 HydrophobicContact CD2-CD1 4.16Å; L841-Y892 HydrophobicContact CD2-CE1 3.75Å; D890-Y892 PolarHBondContact O-N 2.93Å; D890-Y892 VanDerWaalsContact O-N 3.17Å; D890-Y892 WeakPolarHBondContact OD1-CD2 3.43Å; D890-Y892 PolarHBondContact OD1-N 3.39Å; D890-Y892 VanDerWaalsContact OD1-N 3.07Å
893	Q	88.4	Confident	90.1	Very high	43 Å²	43	47.7 Å²	47.7	20%	0.201	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-92.6	-19.9	174.6	-62.8	-176.9	-5.3	0	0	113	Q702 L771 D890 I891	Q702-Q893 VanDerWaalsContact CD-NE2 3.3Å; L771-Q893 HydrophobicContact CB-CG 4.33Å; L771-Q893 HydrophobicContact CD2-CG 4.37Å; D890-Q893 HydrophobicContact CB-CG 4.02Å; D890-Q893 WeakPolarHBondContact O-CB 3.39Å; D890-Q893 PolarHBondContact O-N 2.99Å; I891-Q893 PolarHBondContact O-N 3.32Å
894	L	91.3	Very high	90.4	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.058	28%	0.277	C	S	.	.	S	Bend	trans	-61.5	140.4	180	-65.8	179.3	0	0	0	110.7	R774 L879 Q889 I891 D898 I899 L902	R774-L894 PolarHBondContact NH1-O 2.88Å; R774-L894 PolarHBondContact NH2-O 3.47Å; L879-L894 HydrophobicContact CD1-CD1 4.23Å; L879-L894 HydrophobicContact CD2-CD1 4.39Å; Q889-L894 VanDerWaalsContact CD-CD2 3.49Å; Q889-L894 HydrophobicContact CG-CD2 4.3Å; I891-L894 HydrophobicContact CG1-CD1 4.37Å; I891-L894 WeakPolarHBondContact O-CB 3.45Å; I891-L894 PolarHBondContact O-N 3.32Å; L894-D898 HydrophobicContact CB-CB 4.18Å; L894-D898 HydrophobicContact CD2-CB 4.28Å; L894-I899 HydrophobicContact CB-CD1 3.76Å; L894-I899 HydrophobicContact CB-CG1 3.92Å; L894-I899 HydrophobicContact CD1-CD1 3.94Å; L894-I899 HydrophobicContact CG-CD1 4.43Å; L894-L902 HydrophobicContact CD1-CD2 3.82Å
895	S	91.4	Very high	90.6	Very high	6 Å²	6	47 Å²	47	4%	0.042	26%	0.258	C	S	.	.			trans	-64.2	153	171.8	72.8	0	0	0	0	110.3	D582 W770 S897 D898 I899	D582-S895 WeakPolarHBondContact OD2-CB 3.26Å; D582-S895 PolarHBondContact OD2-OG 2.94Å; W770-S895 VanDerWaalsContact CD1-CA 3.44Å; S895-S897 PolarHBondContact O-N 3.22Å; S895-S897 VanDerWaalsContact O-N 3.16Å; S895-S897 PolarHBondContact OG-OG 3.05Å; S895-D898 WeakPolarHBondContact CB-OD2 3.25Å; S895-D898 PolarHBondContact N-OD2 3.17Å; S895-D898 PolarHBondContact O-N 2.92Å; S895-D898 PolarHBondContact OG-N 3.07Å; S895-D898 PolarHBondContact OG-OD2 3.17Å; S895-I899 PolarHBondContact O-N 3.39Å
896	P	92.6	Very high	91.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-50.3	-36.4	174.5	-32.6	38.8	0	0	0	114.4	Y578 L579 D582 L585 W770 H848 I899 K900	Y578-P896 HydrophobicContact CD2-CG 4.48Å; Y578-P896 HydrophobicContact CE2-CG 4.08Å; L579-P896 HydrophobicContact CD2-CB 3.57Å; L579-P896 HydrophobicContact CD2-CG 3.95Å; D582-P896 HydrophobicContact CB-CB 4.04Å; D582-P896 HydrophobicContact CB-CG 4.1Å; D582-P896 WeakPolarHBondContact OD2-CD 3.39Å; L585-P896 HydrophobicContact CD1-CB 3.3Å; L585-P896 HydrophobicContact CG-CB 4.25Å; W770-P896 HydrophobicContact CE3-CG 4.12Å; W770-P896 HydrophobicContact CZ3-CG 4.17Å; H848-P896 PolarHBondContact NE2-O 3.09Å; P896-I899 WeakPolarHBondContact O-CB 3.46Å; P896-I899 PolarHBondContact O-N 2.91Å; P896-K900 PolarHBondContact O-N 3.14Å
897	S	92.1	Very high	91.3	Very high	15 Å²	15	32 Å²	32	11%	0.105	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-38.1	174.2	55.2	0	0	0	0	113.5	D582 S895 K900 Q901	D582-S897 WeakPolarHBondContact OD1-CB 3.24Å; D582-S897 PolarHBondContact OD1-OG 3.47Å; D582-S897 WeakPolarHBondContact OD2-CB 3.44Å; D582-S897 PolarHBondContact OD2-N 3.42Å; D582-S897 PolarHBondContact OD2-OG 3.22Å; S895-S897 PolarHBondContact O-N 3.22Å; S895-S897 VanDerWaalsContact O-N 3.16Å; S895-S897 PolarHBondContact OG-OG 3.05Å; S897-K900 PolarHBondContact O-N 3.33Å; S897-Q901 PolarHBondContact O-N 3.48Å
898	D	93.2	Very high	91.5	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	16%	0.162	S	C	.	.	H	α-helix	trans	-70.1	-33.2	175.1	-55	-38.6	0	0	0	111.2	R622 L894 S895 Q901 L902	R622-D898 IonicContact NH2-OD1 3.55Å; R622-D898 PolarHBondContact NH2-OD1 3.33Å; R622-D898 IonicContact NH2-OD2 3.42Å; R622-D898 PolarHBondContact NH2-OD2 3.05Å; L894-D898 HydrophobicContact CB-CB 4.18Å; L894-D898 HydrophobicContact CD2-CB 4.28Å; S895-D898 WeakPolarHBondContact CB-OD2 3.25Å; S895-D898 PolarHBondContact N-OD2 3.17Å; S895-D898 PolarHBondContact O-N 2.92Å; S895-D898 PolarHBondContact OG-N 3.07Å; S895-D898 PolarHBondContact OG-OD2 3.17Å; D898-Q901 PolarHBondContact O-N 3.24Å; D898-L902 WeakPolarHBondContact O-CB 3.12Å; D898-L902 PolarHBondContact O-N 2.83Å
899	I	95.6	Very high	90.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-48.1	170.5	-71.2	-63.8	0	0	0	111	L841 L845 M875 I891 L894 S895 P896 Q901 L902 L903	L841-I899 HydrophobicContact CD1-CD1 4.01Å; L841-I899 HydrophobicContact CD1-CG1 4.35Å; L841-I899 HydrophobicContact CD1-CG2 4.21Å; L845-I899 HydrophobicContact CD2-CG2 3.89Å; M875-I899 HydrophobicContact CE-CD1 4.34Å; M875-I899 HydrophobicContact CE-CG2 4.18Å; M875-I899 WeakPolarHBondContact CE-O 3.38Å; I891-I899 HydrophobicContact CD1-CD1 4.29Å; I891-I899 HydrophobicContact CG1-CD1 3.56Å; L894-I899 HydrophobicContact CB-CD1 3.76Å; L894-I899 HydrophobicContact CB-CG1 3.92Å; L894-I899 HydrophobicContact CD1-CD1 3.94Å; L894-I899 HydrophobicContact CG-CD1 4.43Å; S895-I899 PolarHBondContact O-N 3.39Å; P896-I899 WeakPolarHBondContact O-CB 3.46Å; P896-I899 PolarHBondContact O-N 2.91Å; I899-Q901 VanDerWaalsContact C-N 3.31Å; I899-Q901 PolarHBondContact O-N 3.38Å; I899-L902 PolarHBondContact O-N 3.28Å; I899-L903 WeakPolarHBondContact O-CB 3.34Å; I899-L903 PolarHBondContact O-N 3.14Å
900	K	94.8	Very high	89.7	Confident	16 Å²	16	34 Å²	34	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-43.5	175	179.6	-175.6	173.1	-176.2	0	111.4	L585 D588 P896 S897 L903 L904	L585-K900 HydrophobicContact CD2-CB 4.36Å; L585-K900 HydrophobicContact CD2-CD 3.66Å; D588-K900 IonicContact OD2-NZ 3.7Å; D588-K900 PolarHBondContact OD2-NZ 3.24Å; P896-K900 PolarHBondContact O-N 3.14Å; S897-K900 PolarHBondContact O-N 3.33Å; K900-L903 PolarHBondContact O-N 3.43Å; K900-L904 PolarHBondContact O-N 2.85Å
901	Q	93.9	Very high	88.4	Confident	97 Å²	97	35.7 Å²	35.7	45%	0.453	18%	0.178	S	C	.	.	H	α-helix	trans	-66.4	-45.1	178.9	-172.4	57.8	44.1	0	0	112	S897 D898 I899 L903 L904 D905	S897-Q901 PolarHBondContact O-N 3.48Å; D898-Q901 PolarHBondContact O-N 3.24Å; I899-Q901 VanDerWaalsContact C-N 3.31Å; I899-Q901 PolarHBondContact O-N 3.38Å; Q901-L903 VanDerWaalsContact C-N 3.28Å; Q901-L903 PolarHBondContact O-N 3.13Å; Q901-L904 WeakPolarHBondContact O-CB 3.5Å; Q901-L904 PolarHBondContact O-N 2.97Å; Q901-L904 VanDerWaalsContact O-N 3.11Å; Q901-D905 PolarHBondContact NE2-OD1 3.1Å; Q901-D905 PolarHBondContact O-N 2.97Å
902	L	95.2	Very high	86.8	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-40.3	175.9	179.3	59.9	0	0	0	111.6	M875 E878 L879 L894 D898 I899 D905 V906	M875-L902 HydrophobicContact CB-CD2 3.93Å; M875-L902 HydrophobicContact CB-CG 4.12Å; M875-L902 HydrophobicContact CE-CB 3.89Å; M875-L902 HydrophobicContact CE-CD2 3.68Å; M875-L902 HydrophobicContact CE-CG 3.7Å; M875-L902 HydrophobicContact CG-CD2 4.41Å; M875-L902 HydrophobicContact CG-CG 4.16Å; E878-L902 HydrophobicContact CB-CD1 4.11Å; E878-L902 HydrophobicContact CG-CD1 3.63Å; L879-L902 HydrophobicContact CD1-CD2 3.76Å; L879-L902 HydrophobicContact CD2-CD1 4.28Å; L879-L902 HydrophobicContact CD2-CD2 3.94Å; L879-L902 HydrophobicContact CG-CD1 4.3Å; L879-L902 HydrophobicContact CG-CD2 3.71Å; L894-L902 HydrophobicContact CD1-CD2 3.82Å; D898-L902 WeakPolarHBondContact O-CB 3.12Å; D898-L902 PolarHBondContact O-N 2.83Å; I899-L902 PolarHBondContact O-N 3.28Å; L902-D905 PolarHBondContact O-N 3.46Å; L902-V906 WeakPolarHBondContact O-CG2 3.34Å; L902-V906 PolarHBondContact O-N 3.22Å
903	L	95.9	Very high	85.8	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-45.2	173.9	175.4	62.9	0	0	0	111.7	L845 H848 I849 I852 I871 M875 I899 K900 Q901 D905 V906 L907	L845-L903 HydrophobicContact CD2-CD2 4.17Å; H848-L903 HydrophobicContact CB-CD2 3.81Å; I849-L903 HydrophobicContact CG1-CD2 3.83Å; I852-L903 HydrophobicContact CD1-CD2 3.66Å; I852-L903 HydrophobicContact CD1-CG 3.99Å; I871-L903 HydrophobicContact CG2-CD1 3.5Å; I871-L903 VanDerWaalsContact CG2-CD1 3.5Å; M875-L903 HydrophobicContact CE-CB 4.27Å; M875-L903 HydrophobicContact SD-CB 4.37Å; M875-L903 HydrophobicContact SD-CD1 4.42Å; I899-L903 WeakPolarHBondContact O-CB 3.34Å; I899-L903 PolarHBondContact O-N 3.14Å; K900-L903 PolarHBondContact O-N 3.43Å; Q901-L903 VanDerWaalsContact C-N 3.28Å; Q901-L903 PolarHBondContact O-N 3.13Å; L903-D905 VanDerWaalsContact C-N 3.33Å; L903-D905 PolarHBondContact O-N 3.25Å; L903-V906 PolarHBondContact O-N 3.06Å; L903-L907 HydrophobicContact CD1-CD1 3.99Å; L903-L907 HydrophobicContact CD1-CG 4.1Å; L903-L907 HydrophobicContact CG-CD1 3.94Å; L903-L907 HydrophobicContact CG-CG 4.44Å; L903-L907 VanDerWaalsContact O-CG 3.29Å; L903-L907 WeakPolarHBondContact O-CG 3.06Å; L903-L907 PolarHBondContact O-N 2.77Å
904	L	94	Very high	85.6	Confident	30 Å²	30	44.1 Å²	44.1	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-45.6	175.7	-75.9	167.9	0	0	0	111.2	I852 L859 K900 Q901 V906 L907 Q908	I852-L904 HydrophobicContact CD1-CD2 3.73Å; I852-L904 HydrophobicContact CD1-CG 4.01Å; I852-L904 HydrophobicContact CG1-CD2 3.99Å; I852-L904 HydrophobicContact CG2-CD2 3.98Å; L859-L904 HydrophobicContact CD1-CD2 4.08Å; K900-L904 PolarHBondContact O-N 2.85Å; Q901-L904 WeakPolarHBondContact O-CB 3.5Å; Q901-L904 PolarHBondContact O-N 2.97Å; Q901-L904 VanDerWaalsContact O-N 3.11Å; L904-V906 VanDerWaalsContact C-N 3.27Å; L904-V906 PolarHBondContact O-N 2.6Å; L904-L907 PolarHBondContact O-N 3.21Å; L904-L907 VanDerWaalsContact O-N 3.13Å; L904-Q908 VanDerWaalsContact O-CG 3.27Å; L904-Q908 WeakPolarHBondContact O-CG 3.29Å; L904-Q908 PolarHBondContact O-N 3.23Å
905	D	91.2	Very high	85.5	Confident	30 Å²	30	45.7 Å²	45.7	16%	0.16	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-30.4	-179.7	-56.9	-25.4	0	0	0	113	R882 Q901 L902 L903 R914	R882-D905 IonicContact CZ-OD2 2.59Å; R882-D905 IonicContact NH1-OD2 3.03Å; R882-D905 PolarHBondContact NH1-OD2 3.25Å; R882-D905 VanDerWaalsContact NH2-CG 3.27Å; R882-D905 IonicContact NH2-OD2 3.4Å; R882-D905 PolarHBondContact NH2-OD2 3.48Å; Q901-D905 PolarHBondContact NE2-OD1 3.1Å; Q901-D905 PolarHBondContact O-N 2.97Å; L902-D905 PolarHBondContact O-N 3.46Å; L903-D905 VanDerWaalsContact C-N 3.33Å; L903-D905 PolarHBondContact O-N 3.25Å; D905-R914 PolarHBondContact O-NH2 3.33Å; D905-R914 VanDerWaalsContact O-NH2 3.08Å
906	V	92.9	Very high	85.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-72.7	-41	172.4	167.4	0	0	0	0	111.1	A874 M875 E878 L902 L903 L904 I922 L926	A874-V906 HydrophobicContact CB-CG1 3.74Å; M875-V906 HydrophobicContact CB-CG2 4.48Å; M875-V906 HydrophobicContact CG-CG2 3.9Å; E878-V906 HydrophobicContact CB-CG2 3.76Å; E878-V906 HydrophobicContact CG-CG2 4.01Å; L902-V906 WeakPolarHBondContact O-CG2 3.34Å; L902-V906 PolarHBondContact O-N 3.22Å; L903-V906 PolarHBondContact O-N 3.06Å; L904-V906 VanDerWaalsContact C-N 3.27Å; L904-V906 PolarHBondContact O-N 2.6Å; V906-I922 HydrophobicContact CG1-CG2 4.19Å; V906-L926 HydrophobicContact CG1-CD1 4.21Å; V906-L926 HydrophobicContact CG1-CD2 3.96Å; V906-L926 HydrophobicContact CG1-CG 4.38Å
907	L	92.7	Very high	85.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-73.5	-25.6	-179.6	-69.3	172.6	0	0	0	113.3	I852 L859 F860 M863 L903 L904 P909 L926 R928	I852-L907 HydrophobicContact CD1-CD1 4.03Å; I852-L907 HydrophobicContact CG2-CD1 4.3Å; L859-L907 HydrophobicContact CB-CB 4.39Å; F860-L907 HydrophobicContact CD1-CD2 4.29Å; F860-L907 HydrophobicContact CE1-CD1 3.9Å; F860-L907 HydrophobicContact CE1-CD2 3.86Å; F860-L907 HydrophobicContact CE2-CD1 4.23Å; F860-L907 HydrophobicContact CZ-CD1 3.54Å; F860-L907 HydrophobicContact CZ-CD2 4.35Å; M863-L907 HydrophobicContact CE-CD2 4.11Å; M863-L907 HydrophobicContact SD-CD2 4.12Å; L903-L907 HydrophobicContact CD1-CD1 3.99Å; L903-L907 HydrophobicContact CD1-CG 4.1Å; L903-L907 HydrophobicContact CG-CD1 3.94Å; L903-L907 HydrophobicContact CG-CG 4.44Å; L903-L907 VanDerWaalsContact O-CG 3.29Å; L903-L907 WeakPolarHBondContact O-CG 3.06Å; L903-L907 PolarHBondContact O-N 2.77Å; L904-L907 PolarHBondContact O-N 3.21Å; L904-L907 VanDerWaalsContact O-N 3.13Å; L907-P909 WeakPolarHBondContact O-CD 3.48Å; L907-L926 HydrophobicContact CD2-CD1 4.43Å; L907-L926 HydrophobicContact CD2-CD2 4.24Å; L907-R928 PolarHBondContact O-NH1 2.75Å; L907-R928 PolarHBondContact O-NH2 3.16Å
908	Q	88.2	Confident	85.3	Confident	90 Å²	90	50.8 Å²	50.8	42%	0.421	28%	0.275	S	S	.	.	S	Bend	trans	-57.7	123.3	179.3	-76.3	-77.4	-19	0	0	111.6	L904 Q910	L904-Q908 VanDerWaalsContact O-CG 3.27Å; L904-Q908 WeakPolarHBondContact O-CG 3.29Å; L904-Q908 PolarHBondContact O-N 3.23Å; Q908-Q910 PolarHBondContact O-N 3.46Å
909	P	69.1	Low	85.2	Confident	72 Å²	72	50 Å²	50	47%	0.468	27%	0.267	S	S	.	.	S	Bend	trans	-69.5	128	175.9	13.1	-9.5	0	0	0	110.7	L907	L907-P909 WeakPolarHBondContact O-CD 3.48Å
910	Q	64	Low	85	Confident	154 Å²	154	50.3 Å²	50.3	72%	0.72	27%	0.268	S	S	*	.			trans	60.2	81.4	164.6	-55.4	176.6	22.3	0	0	116.8	Q908 T912	Q908-Q910 PolarHBondContact O-N 3.46Å; Q910-T912 PolarHBondContact O-N 2.73Å
911	H	59.7	Low	84.9	Confident	89 Å²	89	50.9 Å²	50.9	41%	0.412	27%	0.271	S	S	.	.			trans	-72.2	110	150.1	-80.1	-82.2	0	0	0	109	A913 R914	H911-A913 PolarHBondContact O-N 3.45Å; H911-R914 HydrophobicContact CB-CG 4.01Å; H911-R914 PolarHBondContact O-N 3.28Å
912	T	56.6	Low	84.8	Confident	131 Å²	131	46.4 Å²	46.4	80%	0.804	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-20.7	175.3	33.4	0	0	0	0	113.3	Q910 R919	Q910-T912 PolarHBondContact O-N 2.73Å; T912-R919 PolarHBondContact O-NH2 2.8Å
913	A	68.6	Low	84.6	Confident	98 Å²	98	48.4 Å²	48.4	81%	0.81	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.2	176.1	0	0	0	0	0	115.5	H911	H911-A913 PolarHBondContact O-N 3.45Å
914	R	84.1	Confident	84.4	Confident	25 Å²	25	48.4 Å²	48.4	9%	0.094	26%	0.261	C	S	.	.	S	Bend	trans	-78	139.9	-179.3	-70.3	-179	-177.7	145.5	4.9	111.4	E878 D905 H911 N918 R919	E878-R914 VanDerWaalsContact CD-NH2 3.3Å; E878-R914 IonicContact OE1-NH2 2.87Å; E878-R914 PolarHBondContact OE1-NH2 3.14Å; E878-R914 IonicContact OE2-CZ 3.14Å; E878-R914 VanDerWaalsContact OE2-CZ 3.28Å; E878-R914 IonicContact OE2-NE 3.91Å; E878-R914 PolarHBondContact OE2-NE 2.79Å; E878-R914 IonicContact OE2-NH2 2.77Å; E878-R914 PolarHBondContact OE2-NH2 2.83Å; D905-R914 PolarHBondContact O-NH2 3.33Å; D905-R914 VanDerWaalsContact O-NH2 3.08Å; H911-R914 HydrophobicContact CB-CG 4.01Å; H911-R914 PolarHBondContact O-N 3.28Å; R914-N918 HydrophobicContact CB-CB 4.36Å; R914-R919 HydrophobicContact CB-CG 3.93Å; R914-R919 PolarHBondContact O-NE 3.46Å; R914-R919 PolarHBondContact O-NH2 2.78Å; R914-R919 VanDerWaalsContact O-NH2 3.16Å
915	S	89	Confident	84.4	Confident	43 Å²	43	47 Å²	47	30%	0.301	25%	0.254	S	S	.	.			trans	-60.9	160.6	167.3	72.9	0	0	0	0	111.2	L917 N918 R919 N1048	S915-L917 VanDerWaalsContact C-N 3.34Å; S915-L917 PolarHBondContact O-N 2.71Å; S915-N918 PolarHBondContact O-N 3.24Å; S915-N918 WeakPolarHBondContact OG-CB 3.48Å; S915-N918 PolarHBondContact OG-N 2.8Å; S915-N918 PolarHBondContact OG-ND2 3.14Å; S915-N918 PolarHBondContact OG-OD1 3.29Å; S915-R919 WeakPolarHBondContact O-CG 3.34Å; S915-R919 PolarHBondContact O-N 3.29Å; S915-R919 VanDerWaalsContact O-N 3.09Å; S915-N1048 WeakPolarHBondContact CB-OD1 3.47Å
916	W	90.3	Very high	84.5	Confident	80 Å²	80	45.7 Å²	45.7	30%	0.303	25%	0.247	S	C	.	.	H	α-helix	trans	-67.8	-35.2	-179.2	-78.6	102.9	0	0	0	112.6	N918 R919 R920 Y1047 N1048 P1050 P1051	W916-N918 PolarHBondContact O-N 3.06Å; W916-R919 PolarHBondContact O-N 2.68Å; W916-R920 WeakPolarHBondContact O-CG 3.33Å; W916-R920 PolarHBondContact O-N 3.4Å; W916-Y1047 CarbonylContact C-O 3.49Å; W916-N1048 PolarHBondContact N-OD1 3.29Å; W916-P1050 HydrophobicContact CZ2-CB 4.37Å; W916-P1051 HydrophobicContact CE3-CG 4.3Å; W916-P1051 HydrophobicContact CH2-CG 3.58Å; W916-P1051 VanDerWaalsContact CZ2-CD 3.46Å; W916-P1051 HydrophobicContact CZ2-CG 4.11Å; W916-P1051 VanDerWaalsContact CZ3-CD 3.45Å; W916-P1051 HydrophobicContact CZ3-CG 3.69Å
917	L	91.5	Very high	84.4	Confident	14 Å²	14	45.8 Å²	45.8	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-49.8	173.4	176.5	63.4	0	0	0	110.8	S915 R919 R920 Q921 E986 E1044 Y1047 N1048	S915-L917 VanDerWaalsContact C-N 3.34Å; S915-L917 PolarHBondContact O-N 2.71Å; L917-R919 VanDerWaalsContact C-N 3.3Å; L917-R919 PolarHBondContact O-N 2.96Å; L917-R920 PolarHBondContact O-N 2.66Å; L917-Q921 HydrophobicContact CD1-CG 4.26Å; L917-Q921 WeakPolarHBondContact O-CG 3.23Å; L917-Q921 PolarHBondContact O-N 3.45Å; L917-E986 HydrophobicContact CD1-CB 4.25Å; L917-E986 HydrophobicContact CD1-CG 4.26Å; L917-E1044 HydrophobicContact CD2-CG 3.79Å; L917-Y1047 HydrophobicContact CD1-CD2 4.32Å; L917-Y1047 HydrophobicContact CD1-CG 4.47Å; L917-Y1047 PolarHBondContact N-O 2.78Å; L917-N1048 HydrophobicContact CB-CB 4.01Å; L917-N1048 PolarHBondContact N-OD1 3.06Å
918	N	90.9	Very high	84.4	Confident	35 Å²	35	47.2 Å²	47.2	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-38	-179.5	-67.5	-4	0	0	0	111.9	I881 R914 S915 W916 I922	I881-N918 HydrophobicContact CD1-CB 3.73Å; R914-N918 HydrophobicContact CB-CB 4.36Å; S915-N918 PolarHBondContact O-N 3.24Å; S915-N918 WeakPolarHBondContact OG-CB 3.48Å; S915-N918 PolarHBondContact OG-N 2.8Å; S915-N918 PolarHBondContact OG-ND2 3.14Å; S915-N918 PolarHBondContact OG-OD1 3.29Å; W916-N918 PolarHBondContact O-N 3.06Å; N918-I922 WeakPolarHBondContact O-CG1 3.27Å; N918-I922 PolarHBondContact O-N 2.66Å; N918-I922 VanDerWaalsContact O-N 3.08Å
919	R	90.1	Very high	84.6	Confident	44 Å²	44	43.4 Å²	43.4	17%	0.166	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-48.7	175.1	-68.6	173.8	-166.7	-163.3	2	111.1	T912 R914 S915 W916 L917 Q921 I922 D923	T912-R919 PolarHBondContact O-NH2 2.8Å; R914-R919 HydrophobicContact CB-CG 3.93Å; R914-R919 PolarHBondContact O-NE 3.46Å; R914-R919 PolarHBondContact O-NH2 2.78Å; R914-R919 VanDerWaalsContact O-NH2 3.16Å; S915-R919 WeakPolarHBondContact O-CG 3.34Å; S915-R919 PolarHBondContact O-N 3.29Å; S915-R919 VanDerWaalsContact O-N 3.09Å; W916-R919 PolarHBondContact O-N 2.68Å; L917-R919 VanDerWaalsContact C-N 3.3Å; L917-R919 PolarHBondContact O-N 2.96Å; R919-Q921 VanDerWaalsContact C-N 3.35Å; R919-Q921 PolarHBondContact O-N 3.29Å; R919-I922 PolarHBondContact O-N 2.84Å; R919-D923 WeakPolarHBondContact O-CB 3.29Å; R919-D923 PolarHBondContact O-N 2.94Å
920	R	92.3	Very high	85.7	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.019	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-38.7	179.3	-71.8	-179.5	173.8	146.2	-5.1	112.1	W916 L917 G924 E986 Q989 E993 F1046 Y1047 T1049 T1057	W916-R920 WeakPolarHBondContact O-CG 3.33Å; W916-R920 PolarHBondContact O-N 3.4Å; L917-R920 PolarHBondContact O-N 2.66Å; R920-G924 WeakPolarHBondContact O-CA 3.41Å; R920-G924 PolarHBondContact O-N 3.46Å; R920-E986 HydrophobicContact CB-CB 3.97Å; R920-Q989 HydrophobicContact CB-CB 4.04Å; R920-Q989 HydrophobicContact CB-CG 4.46Å; R920-Q989 HydrophobicContact CG-CB 4.02Å; R920-Q989 WeakPolarHBondContact O-CG 3.04Å; R920-E993 IonicContact CZ-OE1 3.64Å; R920-E993 IonicContact CZ-OE2 3.07Å; R920-E993 IonicContact NE-OE1 3.82Å; R920-E993 PolarHBondContact NE-OE1 3.26Å; R920-E993 IonicContact NE-OE2 2.91Å; R920-E993 VanDerWaalsContact NH2-CD 3.34Å; R920-E993 IonicContact NH2-OE1 3.31Å; R920-E993 PolarHBondContact NH2-OE1 3.22Å; R920-E993 IonicContact NH2-OE2 2.83Å; R920-E993 PolarHBondContact NH2-OE2 2.77Å; R920-F1046 PolarHBondContact NH1-O 3.42Å; R920-Y1047 WeakPolarHBondContact CD-O 3.42Å; R920-Y1047 PolarHBondContact NH1-O 3.23Å; R920-T1049 PolarHBondContact NH1-O 3.45Å; R920-T1057 PolarHBondContact NH2-OG1 3.08Å
921	Q	92.9	Very high	86.9	Confident	29 Å²	29	42.7 Å²	42.7	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-45.5	175.2	-77.1	178.8	-16.6	0	0	112.4	L917 R919 S925 P985 E986	L917-Q921 HydrophobicContact CD1-CG 4.26Å; L917-Q921 WeakPolarHBondContact O-CG 3.23Å; L917-Q921 PolarHBondContact O-N 3.45Å; R919-Q921 VanDerWaalsContact C-N 3.35Å; R919-Q921 PolarHBondContact O-N 3.29Å; Q921-S925 WeakPolarHBondContact O-CB 3.5Å; Q921-S925 PolarHBondContact O-N 3.45Å; Q921-S925 VanDerWaalsContact O-N 3.09Å; Q921-S925 PolarHBondContact O-OG 3.49Å; Q921-P985 VanDerWaalsContact O-CB 3.31Å; Q921-P985 WeakPolarHBondContact O-CB 2.85Å; Q921-E986 HydrophobicContact CG-CB 4.13Å; Q921-E986 HydrophobicContact CG-CG 4.45Å; Q921-E986 PolarHBondContact NE2-OE1 2.74Å
922	I	92.2	Very high	88.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-69.1	-56.5	179	-67.8	170.6	0	0	0	110.7	I881 V906 N918 R919 G924 S925 L926	I881-I922 HydrophobicContact CD1-CD1 4.24Å; V906-I922 HydrophobicContact CG1-CG2 4.19Å; N918-I922 WeakPolarHBondContact O-CG1 3.27Å; N918-I922 PolarHBondContact O-N 2.66Å; N918-I922 VanDerWaalsContact O-N 3.08Å; R919-I922 PolarHBondContact O-N 2.84Å; I922-G924 VanDerWaalsContact C-N 3.25Å; I922-G924 PolarHBondContact O-N 2.81Å; I922-S925 WeakPolarHBondContact O-CB 3.01Å; I922-S925 PolarHBondContact O-N 3.05Å; I922-L926 HydrophobicContact CG2-CD1 4Å; I922-L926 HydrophobicContact CG2-CG 4.4Å; I922-L926 WeakPolarHBondContact O-CG 3.41Å; I922-L926 PolarHBondContact O-N 2.97Å
923	D	91.2	Very high	90.1	Very high	45 Å²	45	33.7 Å²	33.7	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-32.9	-176.5	-74.4	-33.6	0	0	0	111.6	R919 L926 N927 R928 Q989	R919-D923 WeakPolarHBondContact O-CB 3.29Å; R919-D923 PolarHBondContact O-N 2.94Å; D923-L926 PolarHBondContact O-N 3.23Å; D923-N927 PolarHBondContact O-N 3.45Å; D923-R928 HydrophobicContact CB-CB 4.4Å; D923-R928 PolarHBondContact O-N 3.39Å; D923-R928 IonicContact OD1-NH1 3.35Å; D923-R928 PolarHBondContact OD1-NH1 3.34Å; D923-Q989 HydrophobicContact CB-CG 4.2Å; D923-Q989 PolarHBondContact O-NE2 3.34Å
924	G	92.1	Very high	91.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-43.9	172	0	0	0	0	0	112.5	R920 I922 L926 N927 P985 Q989	R920-G924 WeakPolarHBondContact O-CA 3.41Å; R920-G924 PolarHBondContact O-N 3.46Å; I922-G924 VanDerWaalsContact C-N 3.25Å; I922-G924 PolarHBondContact O-N 2.81Å; G924-L926 VanDerWaalsContact C-N 3.31Å; G924-L926 PolarHBondContact O-N 3.49Å; G924-N927 PolarHBondContact O-N 3.34Å; G924-N927 PolarHBondContact O-OD1 2.94Å; G924-P985 VanDerWaalsContact CA-O 3.32Å; G924-P985 WeakPolarHBondContact CA-O 3.22Å; G924-Q989 VanDerWaalsContact N-CG 3.33Å
925	S	93.2	Very high	91.7	Very high	1 Å²	1	32 Å²	32	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-30.8	177.6	-60.1	0	0	0	0	112.8	W870 Q921 I922 N927 P985	W870-S925 VanDerWaalsContact CB-O 3.23Å; W870-S925 WeakPolarHBondContact CB-O 3.34Å; Q921-S925 WeakPolarHBondContact O-CB 3.5Å; Q921-S925 PolarHBondContact O-N 3.45Å; Q921-S925 VanDerWaalsContact O-N 3.09Å; Q921-S925 PolarHBondContact O-OG 3.49Å; I922-S925 WeakPolarHBondContact O-CB 3.01Å; I922-S925 PolarHBondContact O-N 3.05Å; S925-N927 VanDerWaalsContact C-N 3.26Å; S925-N927 PolarHBondContact O-N 2.93Å; S925-P985 WeakPolarHBondContact OG-CB 3.35Å; S925-P985 WeakPolarHBondContact OG-CG 3.41Å
926	L	92.8	Very high	91.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.3	175.5	-66.1	-177.8	0	0	0	113.6	M863 I871 V906 L907 I922 D923 G924 R928	M863-L926 HydrophobicContact CE-CB 3.98Å; M863-L926 HydrophobicContact CE-CD2 4.06Å; M863-L926 HydrophobicContact CE-CG 4.5Å; M863-L926 WeakPolarHBondContact CE-O 3.35Å; M863-L926 WeakPolarHBondContact CG-O 3.46Å; M863-L926 HydrophobicContact SD-CB 4.24Å; I871-L926 HydrophobicContact CG1-CD2 3.84Å; V906-L926 HydrophobicContact CG1-CD1 4.21Å; V906-L926 HydrophobicContact CG1-CD2 3.96Å; V906-L926 HydrophobicContact CG1-CG 4.38Å; L907-L926 HydrophobicContact CD2-CD1 4.43Å; L907-L926 HydrophobicContact CD2-CD2 4.24Å; I922-L926 HydrophobicContact CG2-CD1 4Å; I922-L926 HydrophobicContact CG2-CG 4.4Å; I922-L926 WeakPolarHBondContact O-CG 3.41Å; I922-L926 PolarHBondContact O-N 2.97Å; D923-L926 PolarHBondContact O-N 3.23Å; G924-L926 VanDerWaalsContact C-N 3.31Å; G924-L926 PolarHBondContact O-N 3.49Å; L926-R928 HydrophobicContact CB-CB 4.27Å; L926-R928 PolarHBondContact O-N 2.81Å
927	N	91.8	Very high	92.2	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.7	-168	-71.6	-0.8	0	0	0	112.6	R867 D923 G924 S925 R988	R867-N927 WeakPolarHBondContact CD-ND2 3.4Å; D923-N927 PolarHBondContact O-N 3.45Å; G924-N927 PolarHBondContact O-N 3.34Å; G924-N927 PolarHBondContact O-OD1 2.94Å; S925-N927 VanDerWaalsContact C-N 3.26Å; S925-N927 PolarHBondContact O-N 2.93Å; N927-R988 PolarHBondContact OD1-NE 2.83Å; N927-R988 VanDerWaalsContact OD1-NE 3.14Å
928	R	91.6	Very high	92.3	Very high	29 Å²	29	29.7 Å²	29.7	11%	0.109	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-81.9	125.9	-177.3	-176.2	176.1	-75.3	167.2	-10	110.5	L859 M863 L907 D923 L926 Q989	L859-R928 PolarHBondContact O-NH2 3.46Å; M863-R928 HydrophobicContact CG-CB 3.99Å; M863-R928 HydrophobicContact CG-CG 4.3Å; L907-R928 PolarHBondContact O-NH1 2.75Å; L907-R928 PolarHBondContact O-NH2 3.16Å; D923-R928 HydrophobicContact CB-CB 4.4Å; D923-R928 PolarHBondContact O-N 3.39Å; D923-R928 IonicContact OD1-NH1 3.35Å; D923-R928 PolarHBondContact OD1-NH1 3.34Å; L926-R928 HydrophobicContact CB-CB 4.27Å; L926-R928 PolarHBondContact O-N 2.81Å; R928-Q989 PolarHBondContact O-NE2 2.81Å
929	T	92.9	Very high	92.4	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	16%	0.158	C	C	.	.			trans	-113.6	154.2	177.1	67	0	0	0	0	112.1	G862 F933 V992	G862-T929 VanDerWaalsContact CA-O 3.24Å; G862-T929 WeakPolarHBondContact CA-O 3.5Å; G862-T929 PolarHBondContact O-N 2.82Å; G862-T929 PolarHBondContact O-OG1 3.05Å; G862-T929 VanDerWaalsContact O-OG1 3.12Å; T929-F933 HydrophobicContact CG2-CD1 3.58Å; T929-F933 HydrophobicContact CG2-CE1 3.8Å; T929-F933 HydrophobicContact CG2-CG 4.04Å; T929-F933 HydrophobicContact CG2-CZ 4.43Å; T929-V992 HydrophobicContact CG2-CG2 4.48Å
930	P	91.8	Very high	92.7	Very high	57 Å²	57	29 Å²	29	37%	0.37	15%	0.151	S	C	.	.			trans	-61.1	163.3	172.2	-25.1	36.1	0	0	0	114.1	G932 F933 V992 M996	P930-G932 PolarHBondContact O-N 3.39Å; P930-F933 WeakPolarHBondContact O-CB 3.42Å; P930-F933 PolarHBondContact O-N 2.92Å; P930-V992 VanDerWaalsContact CD-CG1 3.5Å; P930-V992 HydrophobicContact CG-CG1 4.3Å; P930-M996 HydrophobicContact CB-CE 3.74Å; P930-M996 HydrophobicContact CB-SD 4.37Å; P930-M996 HydrophobicContact CG-CE 4.2Å; P930-M996 HydrophobicContact CG-CG 4.14Å; P930-M996 HydrophobicContact CG-SD 4.44Å
931	L	88.5	Confident	92.8	Very high	154 Å²	154	28.7 Å²	28.7	81%	0.806	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	134.3	175.1	-165.6	92.3	0	0	0	111	F933	L931-F933 PolarHBondContact O-N 3.34Å
932	G	89.4	Confident	92.8	Very high	30 Å²	30	32.1 Å²	32.1	31%	0.309	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	10.9	-179.9	0	0	0	0	0	114.3	P930 Y934 D935 R936	P930-G932 PolarHBondContact O-N 3.39Å; G932-Y934 PolarHBondContact O-N 3.36Å; G932-D935 PolarHBondContact O-N 3.37Å; G932-R936 WeakPolarHBondContact O-CG 3.41Å; G932-R936 PolarHBondContact O-N 3.43Å
933	F	94.5	Very high	92.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-52.8	-51.9	-179	171.1	-103.2	0	0	0	112.7	T929 P930 L931 D935 R936 V937 V975 L979 V992 L995 M996	T929-F933 HydrophobicContact CG2-CD1 3.58Å; T929-F933 HydrophobicContact CG2-CE1 3.8Å; T929-F933 HydrophobicContact CG2-CG 4.04Å; T929-F933 HydrophobicContact CG2-CZ 4.43Å; P930-F933 WeakPolarHBondContact O-CB 3.42Å; P930-F933 PolarHBondContact O-N 2.92Å; L931-F933 PolarHBondContact O-N 3.34Å; F933-D935 PolarHBondContact O-N 2.94Å; F933-R936 WeakPolarHBondContact O-CB 3.43Å; F933-R936 PolarHBondContact O-N 3.37Å; F933-V937 HydrophobicContact CD1-CG2 4.5Å; F933-V937 HydrophobicContact CD2-CG2 4.42Å; F933-V937 HydrophobicContact CE1-CG2 4.1Å; F933-V937 HydrophobicContact CE2-CG2 4.01Å; F933-V937 HydrophobicContact CZ-CG2 3.83Å; F933-V937 WeakPolarHBondContact O-CG2 3.29Å; F933-V937 PolarHBondContact O-N 3.05Å; F933-V975 HydrophobicContact CE1-CG1 3.89Å; F933-V975 HydrophobicContact CZ-CG1 4.38Å; F933-L979 HydrophobicContact CE1-CD1 4.32Å; F933-L979 HydrophobicContact CZ-CD1 4.06Å; F933-V992 HydrophobicContact CD2-CG1 4.06Å; F933-V992 HydrophobicContact CE2-CB 4.32Å; F933-V992 HydrophobicContact CE2-CG1 3.85Å; F933-V992 HydrophobicContact CE2-CG2 4.31Å; F933-V992 HydrophobicContact CZ-CG2 4.24Å; F933-L995 HydrophobicContact CE2-CB 3.97Å; F933-L995 HydrophobicContact CE2-CD1 3.91Å; F933-L995 HydrophobicContact CZ-CD1 3.75Å; F933-M996 HydrophobicContact CB-SD 4.4Å; F933-M996 HydrophobicContact CD2-CG 4.23Å; F933-M996 HydrophobicContact CD2-SD 3.84Å
934	Y	93.7	Very high	92.7	Very high	30 Å²	30	33.2 Å²	33.2	12%	0.118	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-43.8	-178.7	-55.5	-68.4	0	0	0	112	L864 G932 R936 V937 W938 F971 S972 V975 E976	L864-Y934 HydrophobicContact CB-CE2 4.27Å; L864-Y934 WeakPolarHBondContact CB-OH 3.3Å; L864-Y934 HydrophobicContact CD2-CE1 4.42Å; L864-Y934 HydrophobicContact CD2-CE2 4.19Å; G932-Y934 PolarHBondContact O-N 3.36Å; Y934-R936 PolarHBondContact O-N 3.36Å; Y934-V937 WeakPolarHBondContact O-CB 3.38Å; Y934-V937 PolarHBondContact O-N 3.18Å; Y934-W938 PolarHBondContact O-N 2.95Å; Y934-F971 WeakPolarHBondContact O-CE1 3.4Å; Y934-S972 WeakPolarHBondContact CE1-O 3.27Å; Y934-V975 HydrophobicContact CD1-CB 4Å; Y934-V975 HydrophobicContact CD1-CG1 4.06Å; Y934-V975 HydrophobicContact CD1-CG2 4.47Å; Y934-V975 HydrophobicContact CE1-CB 4.28Å; Y934-V975 HydrophobicContact CE1-CG1 4.25Å; Y934-E976 HydrophobicContact CE1-CG 4.01Å; Y934-E976 WeakPolarHBondContact OH-CG 3.38Å; Y934-E976 PolarHBondContact OH-OE1 3.21Å
935	D	92.2	Very high	92.6	Very high	57 Å²	57	35 Å²	35	31%	0.305	18%	0.178	S	C	.	.	H	α-helix	trans	-57.5	-38.5	176.7	-58.4	-21	0	0	0	111.5	G932 F933 W938 Q939 M966	G932-D935 PolarHBondContact O-N 3.37Å; F933-D935 PolarHBondContact O-N 2.94Å; D935-W938 WeakPolarHBondContact O-CB 3.49Å; D935-W938 PolarHBondContact O-N 3.03Å; D935-Q939 WeakPolarHBondContact O-CG 3.44Å; D935-Q939 PolarHBondContact O-N 2.9Å; D935-Q939 VanDerWaalsContact O-N 3.12Å; D935-M966 HydrophobicContact CB-CG 4.38Å; D935-M966 HydrophobicContact CB-SD 4.44Å
936	R	94.8	Very high	92.4	Very high	71 Å²	71	39.7 Å²	39.7	27%	0.268	20%	0.203	S	C	.	.	H	α-helix	trans	-68.6	-40.1	174.7	-73.2	177.7	-173.2	-156.8	2.3	112.4	G932 F933 Y934 W938 Q939 I940 A999 E1003	G932-R936 WeakPolarHBondContact O-CG 3.41Å; G932-R936 PolarHBondContact O-N 3.43Å; F933-R936 WeakPolarHBondContact O-CB 3.43Å; F933-R936 PolarHBondContact O-N 3.37Å; Y934-R936 PolarHBondContact O-N 3.36Å; R936-W938 VanDerWaalsContact C-N 3.25Å; R936-W938 PolarHBondContact O-N 3.3Å; R936-Q939 PolarHBondContact O-N 3.02Å; R936-I940 VanDerWaalsContact O-CG1 3.25Å; R936-I940 WeakPolarHBondContact O-CG1 3.5Å; R936-I940 PolarHBondContact O-N 3.4Å; R936-A999 HydrophobicContact CB-CB 3.69Å; R936-A999 HydrophobicContact CG-CB 4.03Å; R936-E1003 IonicContact NE-OE1 2.7Å
937	V	95.6	Very high	92.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-37.1	173.4	176.4	0	0	0	0	110.8	F933 Y934 I940 L941 I948 L955 F971 V975 L995	F933-V937 HydrophobicContact CD1-CG2 4.5Å; F933-V937 HydrophobicContact CD2-CG2 4.42Å; F933-V937 HydrophobicContact CE1-CG2 4.1Å; F933-V937 HydrophobicContact CE2-CG2 4.01Å; F933-V937 HydrophobicContact CZ-CG2 3.83Å; F933-V937 WeakPolarHBondContact O-CG2 3.29Å; F933-V937 PolarHBondContact O-N 3.05Å; Y934-V937 WeakPolarHBondContact O-CB 3.38Å; Y934-V937 PolarHBondContact O-N 3.18Å; V937-I940 PolarHBondContact O-N 2.9Å; V937-L941 WeakPolarHBondContact O-CB 3.28Å; V937-L941 PolarHBondContact O-N 3.25Å; V937-I948 HydrophobicContact CG1-CD1 4.39Å; V937-L955 HydrophobicContact CG1-CD2 4.13Å; V937-F971 HydrophobicContact CG1-CZ 4.25Å; V937-V975 HydrophobicContact CB-CG1 4.47Å; V937-V975 HydrophobicContact CB-CG2 4.33Å; V937-V975 HydrophobicContact CG1-CG1 4.07Å; V937-V975 HydrophobicContact CG1-CG2 3.7Å; V937-V975 HydrophobicContact CG2-CG1 4.24Å; V937-L995 HydrophobicContact CG2-CD1 4.17Å
938	W	94.6	Very high	92.7	Very high	15 Å²	15	39.8 Å²	39.8	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-48.7	172.3	-179.2	-76.8	0	0	0	111.6	Y934 D935 R936 I940 L941 E942 L961 M964 M966 F971	Y934-W938 PolarHBondContact O-N 2.95Å; D935-W938 WeakPolarHBondContact O-CB 3.49Å; D935-W938 PolarHBondContact O-N 3.03Å; R936-W938 VanDerWaalsContact C-N 3.25Å; R936-W938 PolarHBondContact O-N 3.3Å; W938-I940 VanDerWaalsContact C-N 3.31Å; W938-I940 PolarHBondContact O-N 3.19Å; W938-L941 WeakPolarHBondContact O-CA 3.41Å; W938-L941 WeakPolarHBondContact O-CB 3.25Å; W938-L941 PolarHBondContact O-N 3.31Å; W938-E942 VanDerWaalsContact NE1-CD 3.32Å; W938-E942 PolarHBondContact NE1-OE1 3.17Å; W938-E942 PolarHBondContact O-N 3.31Å; W938-L961 HydrophobicContact CD2-CD2 3.7Å; W938-L961 VanDerWaalsContact CE2-CD2 3.42Å; W938-L961 HydrophobicContact CE3-CD2 3.9Å; W938-L961 HydrophobicContact CG-CD2 4.41Å; W938-L961 HydrophobicContact CH2-CB 4.42Å; W938-L961 HydrophobicContact CH2-CD2 3.6Å; W938-L961 HydrophobicContact CZ2-CB 4.48Å; W938-L961 HydrophobicContact CZ2-CD2 3.4Å; W938-L961 HydrophobicContact CZ3-CD2 3.86Å; W938-M964 WeakPolarHBondContact CH2-O 3.29Å; W938-M964 HydrophobicContact CZ3-CB 4.19Å; W938-M966 HydrophobicContact CB-CE 4.43Å; W938-M966 HydrophobicContact CB-CG 4.06Å; W938-M966 HydrophobicContact CD2-CB 3.83Å; W938-M966 HydrophobicContact CD2-CG 4.3Å; W938-M966 HydrophobicContact CE3-CB 4.36Å; W938-M966 HydrophobicContact CG-CB 3.9Å; W938-M966 HydrophobicContact CG-CE 3.91Å; W938-M966 HydrophobicContact CG-CG 3.85Å; W938-F971 HydrophobicContact CB-CE1 3.65Å; W938-F971 HydrophobicContact CB-CZ 3.75Å; W938-F971 HydrophobicContact CD2-CZ 4.5Å; W938-F971 AromaticContact CE3-CD1 3.85Å; W938-F971 HydrophobicContact CE3-CD1 3.85Å; W938-F971 AromaticContact CE3-CD2 3.71Å; W938-F971 HydrophobicContact CE3-CD2 3.71Å; W938-F971 AromaticContact CE3-CE1 3.89Å; W938-F971 HydrophobicContact CE3-CE1 3.89Å; W938-F971 AromaticContact CE3-CE2 3.75Å; W938-F971 HydrophobicContact CE3-CE2 3.75Å; W938-F971 AromaticContact CE3-CG 3.76Å; W938-F971 HydrophobicContact CE3-CG 3.76Å; W938-F971 AromaticContact CE3-CZ 3.84Å; W938-F971 HydrophobicContact CE3-CZ 3.84Å; W938-F971 HydrophobicContact CG-CE1 4.5Å; W938-F971 AromaticContact CZ3-CD2 3.98Å; W938-F971 HydrophobicContact CZ3-CD2 3.98Å; W938-F971 HydrophobicContact CZ3-CE2 4.35Å; W938-F971 HydrophobicContact CZ3-CG 4.11Å
939	Q	93.1	Very high	92.9	Very high	59 Å²	59	39.5 Å²	39.5	28%	0.276	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-36.5	178.5	-67.9	169.3	-3.4	0	0	112.6	D935 R936 L941 E942 R943 M966 E1003	D935-Q939 WeakPolarHBondContact O-CG 3.44Å; D935-Q939 PolarHBondContact O-N 2.9Å; D935-Q939 VanDerWaalsContact O-N 3.12Å; R936-Q939 PolarHBondContact O-N 3.02Å; Q939-L941 VanDerWaalsContact C-N 3.33Å; Q939-E942 PolarHBondContact O-N 3.04Å; Q939-R943 PolarHBondContact O-N 3.26Å; Q939-M966 HydrophobicContact CG-CE 4.25Å; Q939-E1003 PolarHBondContact OE1-OE1 2.75Å
940	I	94.6	Very high	92.9	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-46.2	172	-63.9	163.1	0	0	0	109.5	R936 V937 W938 E942 R943 T944 I948 L995 V998 A999 L1002	R936-I940 VanDerWaalsContact O-CG1 3.25Å; R936-I940 WeakPolarHBondContact O-CG1 3.5Å; R936-I940 PolarHBondContact O-N 3.4Å; V937-I940 PolarHBondContact O-N 2.9Å; W938-I940 VanDerWaalsContact C-N 3.31Å; W938-I940 PolarHBondContact O-N 3.19Å; I940-E942 VanDerWaalsContact C-N 3.29Å; I940-E942 PolarHBondContact O-N 2.91Å; I940-R943 CarbonylContact O-C 3.56Å; I940-R943 PolarHBondContact O-N 3.19Å; I940-T944 WeakPolarHBondContact O-CB 3.28Å; I940-T944 PolarHBondContact O-N 2.85Å; I940-T944 PolarHBondContact O-OG1 3.19Å; I940-I948 HydrophobicContact CB-CD1 4.42Å; I940-I948 HydrophobicContact CG2-CD1 3.78Å; I940-I948 HydrophobicContact CG2-CG1 4.49Å; I940-L995 HydrophobicContact CD1-CB 4.43Å; I940-L995 HydrophobicContact CD1-CD2 3.98Å; I940-L995 VanDerWaalsContact CD1-O 3.27Å; I940-L995 WeakPolarHBondContact CD1-O 3.19Å; I940-V998 HydrophobicContact CD1-CB 4.2Å; I940-V998 HydrophobicContact CD1-CG1 4.15Å; I940-V998 HydrophobicContact CG1-CG1 4.02Å; I940-V998 HydrophobicContact CG2-CG1 3.93Å; I940-A999 HydrophobicContact CD1-CB 3.91Å; I940-A999 HydrophobicContact CG1-CB 4.06Å; I940-L1002 HydrophobicContact CB-CD1 4.47Å; I940-L1002 HydrophobicContact CG1-CD1 4.27Å; I940-L1002 HydrophobicContact CG2-CD1 4.36Å
941	L	94.7	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-35.5	-179.1	-161.8	66.1	0	0	0	111.9	V937 W938 Q939 R943 T944 I948 L955 Q957 T960 L961 F971	V937-L941 WeakPolarHBondContact O-CB 3.28Å; V937-L941 PolarHBondContact O-N 3.25Å; W938-L941 WeakPolarHBondContact O-CA 3.41Å; W938-L941 WeakPolarHBondContact O-CB 3.25Å; W938-L941 PolarHBondContact O-N 3.31Å; Q939-L941 VanDerWaalsContact C-N 3.33Å; L941-R943 PolarHBondContact O-N 2.85Å; L941-T944 PolarHBondContact O-N 3.12Å; L941-I948 HydrophobicContact CD1-CD1 4.39Å; L941-I948 HydrophobicContact CD1-CG1 4.25Å; L941-L955 HydrophobicContact CD1-CD2 4.49Å; L941-L955 HydrophobicContact CD1-CG 4.26Å; L941-L955 HydrophobicContact CD2-CG 4.46Å; L941-Q957 HydrophobicContact CD1-CB 4.19Å; L941-Q957 HydrophobicContact CG-CB 4.29Å; L941-Q957 HydrophobicContact CG-CG 4.35Å; L941-Q957 WeakPolarHBondContact O-CG 3.49Å; L941-Q957 PolarHBondContact O-NE2 3.17Å; L941-T960 HydrophobicContact CD2-CG2 3.71Å; L941-L961 HydrophobicContact CB-CD2 4.44Å; L941-L961 HydrophobicContact CD2-CD2 4.02Å; L941-L961 HydrophobicContact CD2-CG 4.16Å; L941-L961 HydrophobicContact CG-CD2 4.38Å; L941-L961 HydrophobicContact CG-CG 4.38Å; L941-F971 HydrophobicContact CD2-CE2 4.28Å
942	E	92.8	Very high	92.5	Very high	100 Å²	100	34.3 Å²	34.3	47%	0.467	20%	0.2	S	C	.	.	H	α-helix	trans	-59.6	-28.3	172.8	-72.9	177.6	154.9	0	0	113.1	W938 Q939 I940 Q957 L961	W938-E942 VanDerWaalsContact NE1-CD 3.32Å; W938-E942 PolarHBondContact NE1-OE1 3.17Å; W938-E942 PolarHBondContact O-N 3.31Å; Q939-E942 PolarHBondContact O-N 3.04Å; I940-E942 VanDerWaalsContact C-N 3.29Å; I940-E942 PolarHBondContact O-N 2.91Å; E942-Q957 PolarHBondContact O-NE2 3.43Å; E942-L961 HydrophobicContact CG-CD1 4.03Å; E942-L961 HydrophobicContact CG-CD2 4.21Å
943	R	90.7	Very high	92.6	Very high	71 Å²	71	34.4 Å²	34.4	27%	0.268	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	12.7	-177.3	-63.2	-177.9	177.6	150.4	-11.3	114.3	Q939 I940 L941 L1002 F1010	Q939-R943 PolarHBondContact O-N 3.26Å; I940-R943 CarbonylContact O-C 3.56Å; I940-R943 PolarHBondContact O-N 3.19Å; L941-R943 PolarHBondContact O-N 2.85Å; R943-L1002 HydrophobicContact CB-CD1 4.16Å; R943-L1002 PolarHBondContact NH1-O 3.02Å; R943-F1010 PolarHBondContact O-N 2.87Å; R943-F1010 VanDerWaalsContact O-N 3.09Å
944	T	91.9	Very high	92.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-123.5	91.1	179.8	-50	0	0	0	0	109.7	I940 L941 N946 G947 Q957 F1010 V1014	I940-T944 WeakPolarHBondContact O-CB 3.28Å; I940-T944 PolarHBondContact O-N 2.85Å; I940-T944 PolarHBondContact O-OG1 3.19Å; L941-T944 PolarHBondContact O-N 3.12Å; T944-N946 PolarHBondContact O-N 3.3Å; T944-G947 WeakPolarHBondContact CG2-O 3.37Å; T944-G947 PolarHBondContact O-N 3.26Å; T944-G947 VanDerWaalsContact O-N 3.09Å; T944-Q957 PolarHBondContact O-NE2 3.31Å; T944-F1010 HydrophobicContact CG2-CB 4.17Å; T944-F1010 HydrophobicContact CG2-CD2 4.13Å; T944-F1010 HydrophobicContact CG2-CG 4.39Å; T944-F1010 WeakPolarHBondContact OG1-CD2 3.27Å; T944-V1014 HydrophobicContact CG2-CB 4.12Å; T944-V1014 HydrophobicContact CG2-CG2 3.56Å
945	P	89.1	Confident	92.6	Very high	38 Å²	38	37.4 Å²	37.4	25%	0.247	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140	171.6	-23.9	34.8	0	0	0	110.5	G947 F1010 D1012 K1013	P945-G947 PolarHBondContact O-N 2.96Å; P945-F1010 WeakPolarHBondContact CD-O 3.44Å; P945-F1010 VanDerWaalsContact CG-O 3.22Å; P945-F1010 WeakPolarHBondContact CG-O 3.3Å; P945-D1012 CarbonylContact O-C 3.02Å; P945-K1013 WeakPolarHBondContact O-CA 3.2Å; P945-K1013 PolarHBondContact O-N 3.36Å; P945-K1013 VanDerWaalsContact O-N 3.11Å
946	N	90.1	Very high	92.7	Very high	99 Å²	99	36.5 Å²	36.5	53%	0.529	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	-3	-177.1	-56.8	-38.4	0	0	0	116.5	T944 H954 D1012 K1013	T944-N946 PolarHBondContact O-N 3.3Å; N946-H954 PolarHBondContact O-CE1 3.2Å; N946-H954 PolarHBondContact O-NE2 3.03Å; N946-D1012 PolarHBondContact ND2-OD1 2.78Å; N946-K1013 HydrophobicContact CB-CB 3.95Å
947	G	94.6	Very high	92.6	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.			trans	90.1	-161	167.4	0	0	0	0	0	116.3	T944 P945 L955 K1013 V1014	T944-G947 WeakPolarHBondContact CG2-O 3.37Å; T944-G947 PolarHBondContact O-N 3.26Å; T944-G947 VanDerWaalsContact O-N 3.09Å; P945-G947 PolarHBondContact O-N 2.96Å; G947-L955 CarbonylContact C-O 3.43Å; G947-L955 VanDerWaalsContact CA-O 3.27Å; G947-L955 WeakPolarHBondContact CA-O 3.34Å; G947-K1013 WeakPolarHBondContact O-CA 3.4Å; G947-K1013 WeakPolarHBondContact O-CB 3.08Å; G947-V1014 PolarHBondContact O-N 3.4Å
948	I	95.8	Very high	92.3	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.9	-169.7	-54.5	172.8	0	0	0	109.6	V937 I940 L941 H954 L955 L995 L1016	V937-I948 HydrophobicContact CG1-CD1 4.39Å; I940-I948 HydrophobicContact CB-CD1 4.42Å; I940-I948 HydrophobicContact CG2-CD1 3.78Å; I940-I948 HydrophobicContact CG2-CG1 4.49Å; L941-I948 HydrophobicContact CD1-CD1 4.39Å; L941-I948 HydrophobicContact CD1-CG1 4.25Å; I948-H954 PolarHBondContact O-CD2 2.86Å; I948-L955 HydrophobicContact CB-CB 4.42Å; I948-L955 HydrophobicContact CD1-CD2 4.49Å; I948-L955 PolarHBondContact N-O 3.38Å; I948-L955 PolarHBondContact O-N 3.23Å; I948-L995 HydrophobicContact CD1-CD2 4.33Å; I948-L1016 HydrophobicContact CG2-CD1 3.69Å; I948-L1016 HydrophobicContact CG2-CD2 4.09Å; I948-L1016 HydrophobicContact CG2-CG 3.72Å
949	V	95.1	Very high	91.9	Very high	23 Å²	23	41.5 Å²	41.5	14%	0.139	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136	176.1	-179.3	0	0	0	0	110.1	T953 H954 K1013 V1014 L1016	V949-T953 WeakPolarHBondContact CA-O 3.48Å; V949-H954 HydrophobicContact CG2-CB 4.36Å; V949-K1013 HydrophobicContact CG2-CD 4.1Å; V949-V1014 PolarHBondContact N-O 2.85Å; V949-L1016 PolarHBondContact O-N 3.35Å
950	V	94.4	Very high	91.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	136.3	174.8	59.1	0	0	0	0	111.2	G952 T953 T978 L979 I982 I991 L1016	V950-G952 PolarHBondContact O-N 2.96Å; V950-T953 PolarHBondContact N-O 3.36Å; V950-T953 WeakPolarHBondContact O-CA 3.47Å; V950-T953 WeakPolarHBondContact O-CB 3.42Å; V950-T953 PolarHBondContact O-N 2.99Å; V950-T978 HydrophobicContact CG1-CG2 3.63Å; V950-L979 HydrophobicContact CG1-CD2 3.91Å; V950-I982 HydrophobicContact CG2-CD1 3.89Å; V950-I982 HydrophobicContact CG2-CG1 4.36Å; V950-I991 HydrophobicContact CG2-CD1 3.98Å; V950-I991 HydrophobicContact CG2-CG1 4.16Å; V950-I991 HydrophobicContact CG2-CG2 4.05Å; V950-L1016 HydrophobicContact CB-CB 4.24Å; V950-L1016 HydrophobicContact CB-CD1 4.08Å; V950-L1016 HydrophobicContact CB-CG 4.44Å; V950-L1016 HydrophobicContact CG2-CB 4.36Å; V950-L1016 HydrophobicContact CG2-CD1 4.46Å
951	G	85.8	Confident	91.4	Very high	34 Å²	34	39.7 Å²	39.7	35%	0.351	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.5	-179.9	0	0	0	0	0	112.4	T953 D1017	G951-T953 PolarHBondContact O-N 2.95Å; G951-T953 VanDerWaalsContact O-N 3.15Å; G951-T953 PolarHBondContact O-OG1 3.48Å; G951-D1017 PolarHBondContact N-OD2 3.04Å
952	G	85.4	Confident	90.9	Very high	76 Å²	76	40.3 Å²	40.3	78%	0.784	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	2.2	-174.4	0	0	0	0	0	115.6	V950	V950-G952 PolarHBondContact O-N 2.96Å
953	T	91.9	Very high	90.4	Very high	32 Å²	32	37.2 Å²	37.2	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.1	-179.8	-47.3	0	0	0	0	110	V949 V950 G951 T978 N981	V949-T953 WeakPolarHBondContact CA-O 3.48Å; V950-T953 PolarHBondContact N-O 3.36Å; V950-T953 WeakPolarHBondContact O-CA 3.47Å; V950-T953 WeakPolarHBondContact O-CB 3.42Å; V950-T953 PolarHBondContact O-N 2.99Å; G951-T953 PolarHBondContact O-N 2.95Å; G951-T953 VanDerWaalsContact O-N 3.15Å; G951-T953 PolarHBondContact O-OG1 3.48Å; T953-T978 HydrophobicContact CG2-CG2 4.18Å; T953-N981 PolarHBondContact OG1-ND2 2.87Å
954	H	93.6	Very high	90.2	Very high	92 Å²	92	35.3 Å²	35.3	43%	0.426	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.4	-174.7	-179	-139.5	0	0	0	111.1	N946 I948 V949 P956	N946-H954 PolarHBondContact O-CE1 3.2Å; N946-H954 PolarHBondContact O-NE2 3.03Å; I948-H954 PolarHBondContact O-CD2 2.86Å; V949-H954 HydrophobicContact CG2-CB 4.36Å; H954-P956 VanDerWaalsContact O-CD 3.29Å; H954-P956 WeakPolarHBondContact O-CD 3.43Å
955	L	95	Very high	89.7	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	97.3	166.5	176.5	61.9	0	0	0	108.5	V937 L941 G947 I948 T960 L974 V975 T978	V937-L955 HydrophobicContact CG1-CD2 4.13Å; L941-L955 HydrophobicContact CD1-CD2 4.49Å; L941-L955 HydrophobicContact CD1-CG 4.26Å; L941-L955 HydrophobicContact CD2-CG 4.46Å; G947-L955 CarbonylContact C-O 3.43Å; G947-L955 VanDerWaalsContact CA-O 3.27Å; G947-L955 WeakPolarHBondContact CA-O 3.34Å; I948-L955 HydrophobicContact CB-CB 4.42Å; I948-L955 HydrophobicContact CD1-CD2 4.49Å; I948-L955 PolarHBondContact N-O 3.38Å; I948-L955 PolarHBondContact O-N 3.23Å; L955-T960 HydrophobicContact CD1-CG2 4.35Å; L955-L974 HydrophobicContact CD1-CD2 3.6Å; L955-L974 HydrophobicContact CD1-CG 3.72Å; L955-V975 HydrophobicContact CD2-CG2 4.15Å; L955-T978 HydrophobicContact CB-CG2 3.97Å
956	P	93.3	Very high	89.3	Confident	37 Å²	37	36.2 Å²	36.2	24%	0.24	22%	0.221	C	C	.	.			trans	-73.6	148.7	-176.6	32.6	-37.5	0	0	0	111.1	H954 Q958 T960	H954-P956 VanDerWaalsContact O-CD 3.29Å; H954-P956 WeakPolarHBondContact O-CD 3.43Å; P956-Q958 WeakPolarHBondContact CB-O 3.34Å; P956-T960 VanDerWaalsContact O-CB 3.23Å; P956-T960 WeakPolarHBondContact O-CB 3.47Å; P956-T960 PolarHBondContact O-OG1 3.44Å
957	Q	93.3	Very high	88.8	Confident	40 Å²	40	38.3 Å²	38.3	19%	0.187	22%	0.222	C	C	.	.	S	Bend	trans	-66	-47.7	172.8	-178.6	-174.5	55.8	0	0	111.5	L941 E942 T944 T960 L961	L941-Q957 HydrophobicContact CD1-CB 4.19Å; L941-Q957 HydrophobicContact CG-CB 4.29Å; L941-Q957 HydrophobicContact CG-CG 4.35Å; L941-Q957 WeakPolarHBondContact O-CG 3.49Å; L941-Q957 PolarHBondContact O-NE2 3.17Å; E942-Q957 PolarHBondContact O-NE2 3.43Å; T944-Q957 PolarHBondContact O-NE2 3.31Å; Q957-T960 PolarHBondContact O-N 3.21Å; Q957-L961 HydrophobicContact CG-CD1 3.61Å; Q957-L961 HydrophobicContact CG-CG 4.3Å; Q957-L961 WeakPolarHBondContact O-CG 3.23Å; Q957-L961 PolarHBondContact O-N 2.65Å
958	Q	88.5	Confident	88	Confident	94 Å²	94	38.5 Å²	38.5	44%	0.439	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	135.6	171.1	-62.2	-60.1	-23.2	0	0	109.1	P956 S962	P956-Q958 WeakPolarHBondContact CB-O 3.34Å; Q958-S962 PolarHBondContact OE1-OG 3.06Å
959	P	86.3	Confident	87.4	Confident	60 Å²	60	40.3 Å²	40.3	39%	0.39	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.6	6.6	12.2	36.1	-36.8	0	0	0	114.8	L961 S962 D963	P959-L961 PolarHBondContact O-N 3.18Å; P959-S962 VanDerWaalsContact CA-OG 3.3Å; P959-S962 WeakPolarHBondContact CA-OG 3.38Å; P959-S962 CarbonylContact O-C 3.49Å; P959-S962 WeakPolarHBondContact O-CA 3.27Å; P959-S962 PolarHBondContact O-N 3.45Å; P959-S962 PolarHBondContact O-OG 3.06Å; P959-D963 WeakPolarHBondContact O-CB 3.05Å; P959-D963 PolarHBondContact O-N 3.27Å
960	T	89.3	Confident	86.9	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.043	23%	0.23	C	C	.	.	H	α-helix	trans	-51.8	-50.2	-174.8	-53.1	0	0	0	0	113.8	L941 L955 P956 Q957 S962 D963 M964 F971 L974	L941-T960 HydrophobicContact CD2-CG2 3.71Å; L955-T960 HydrophobicContact CD1-CG2 4.35Å; P956-T960 VanDerWaalsContact O-CB 3.23Å; P956-T960 WeakPolarHBondContact O-CB 3.47Å; P956-T960 PolarHBondContact O-OG1 3.44Å; Q957-T960 PolarHBondContact O-N 3.21Å; T960-S962 PolarHBondContact O-N 2.92Å; T960-D963 PolarHBondContact O-N 2.96Å; T960-M964 HydrophobicContact CG2-SD 4.44Å; T960-M964 WeakPolarHBondContact O-CB 3.32Å; T960-M964 PolarHBondContact O-N 3.33Å; T960-M964 VanDerWaalsContact O-N 3.08Å; T960-F971 HydrophobicContact CG2-CD2 3.79Å; T960-F971 HydrophobicContact CG2-CE2 3.9Å; T960-L974 HydrophobicContact CG2-CD2 3.7Å
961	L	87.9	Confident	86.7	Confident	19 Å²	19	40 Å²	40	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-70.5	-16.1	179.1	-62.9	-179.6	0	0	0	113.5	W938 L941 E942 Q957 P959	W938-L961 HydrophobicContact CD2-CD2 3.7Å; W938-L961 VanDerWaalsContact CE2-CD2 3.42Å; W938-L961 HydrophobicContact CE3-CD2 3.9Å; W938-L961 HydrophobicContact CG-CD2 4.41Å; W938-L961 HydrophobicContact CH2-CB 4.42Å; W938-L961 HydrophobicContact CH2-CD2 3.6Å; W938-L961 HydrophobicContact CZ2-CB 4.48Å; W938-L961 HydrophobicContact CZ2-CD2 3.4Å; W938-L961 HydrophobicContact CZ3-CD2 3.86Å; L941-L961 HydrophobicContact CB-CD2 4.44Å; L941-L961 HydrophobicContact CD2-CD2 4.02Å; L941-L961 HydrophobicContact CD2-CG 4.16Å; L941-L961 HydrophobicContact CG-CD2 4.38Å; L941-L961 HydrophobicContact CG-CG 4.38Å; E942-L961 HydrophobicContact CG-CD1 4.03Å; E942-L961 HydrophobicContact CG-CD2 4.21Å; Q957-L961 HydrophobicContact CG-CD1 3.61Å; Q957-L961 HydrophobicContact CG-CG 4.3Å; Q957-L961 WeakPolarHBondContact O-CG 3.23Å; Q957-L961 PolarHBondContact O-N 2.65Å; P959-L961 PolarHBondContact O-N 3.18Å
962	S	84.1	Confident	86.9	Confident	13 Å²	13	39 Å²	39	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-91.4	-37.1	174.4	38.9	0	0	0	0	113.4	K348 Q958 P959 T960	K348-S962 WeakPolarHBondContact CB-O 3.4Å; Q958-S962 PolarHBondContact OE1-OG 3.06Å; P959-S962 VanDerWaalsContact CA-OG 3.3Å; P959-S962 WeakPolarHBondContact CA-OG 3.38Å; P959-S962 CarbonylContact O-C 3.49Å; P959-S962 WeakPolarHBondContact O-CA 3.27Å; P959-S962 PolarHBondContact O-N 3.45Å; P959-S962 PolarHBondContact O-OG 3.06Å; T960-S962 PolarHBondContact O-N 2.92Å
963	D	83.2	Confident	87.1	Confident	34 Å²	34	35.7 Å²	35.7	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-77.9	-33.5	-177.7	-69.6	2.7	0	0	0	112.2	A345 P959 T960	A345-D963 WeakPolarHBondContact CA-OD1 3.5Å; A345-D963 WeakPolarHBondContact CB-OD1 3.39Å; A345-D963 PolarHBondContact N-OD1 2.69Å; P959-D963 WeakPolarHBondContact O-CB 3.05Å; P959-D963 PolarHBondContact O-N 3.27Å; T960-D963 PolarHBondContact O-N 2.96Å
964	M	86.4	Confident	87.1	Confident	31 Å²	31	36.7 Å²	36.7	15%	0.153	19%	0.185	C	C	.	.			trans	-119.6	174.6	-165.7	-57.5	-174.5	176.9	0	0	112.9	R327 W938 T960 E968 N970 F971 L974	R327-M964 PolarHBondContact NH1-O 2.68Å; W938-M964 WeakPolarHBondContact CH2-O 3.29Å; W938-M964 HydrophobicContact CZ3-CB 4.19Å; T960-M964 HydrophobicContact CG2-SD 4.44Å; T960-M964 WeakPolarHBondContact O-CB 3.32Å; T960-M964 PolarHBondContact O-N 3.33Å; T960-M964 VanDerWaalsContact O-N 3.08Å; M964-E968 WeakPolarHBondContact CA-OE1 3.28Å; M964-E968 HydrophobicContact CB-CG 4.46Å; M964-E968 WeakPolarHBondContact CB-OE1 3.46Å; M964-E968 VanDerWaalsContact CG-OE1 3.31Å; M964-E968 WeakPolarHBondContact CG-OE1 3.48Å; M964-N970 HydrophobicContact CE-CB 4.49Å; M964-F971 HydrophobicContact CB-CB 4.2Å; M964-F971 VanDerWaalsContact SD-CA 3.53Å; M964-F971 HydrophobicContact SD-CB 3.9Å; M964-F971 HydrophobicContact SD-CD2 4.42Å; M964-L974 HydrophobicContact CE-CB 4.47Å; M964-L974 HydrophobicContact CE-CD2 4.01Å; M964-L974 HydrophobicContact SD-CD2 4.03Å
965	T	81	Confident	87.1	Confident	28 Å²	28	32.5 Å²	32.5	17%	0.172	17%	0.166	C	C	.	.			trans	-127.3	147.2	173.2	56.3	0	0	0	0	110.6	R327 Y967 E968	R327-T965 VanDerWaalsContact CZ-CG2 3.48Å; T965-Y967 PolarHBondContact O-N 3.03Å; T965-E968 VanDerWaalsContact N-CD 3.27Å; T965-E968 PolarHBondContact N-OE2 3.26Å; T965-E968 VanDerWaalsContact N-OE2 3.16Å; T965-E968 WeakPolarHBondContact O-CG 3.25Å; T965-E968 PolarHBondContact O-N 3.29Å; T965-E968 VanDerWaalsContact O-N 3.08Å; T965-E968 PolarHBondContact OG1-OE2 3.1Å
966	M	81.4	Confident	86.9	Confident	30 Å²	30	32.4 Å²	32.4	15%	0.148	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-42	-176.2	-177.9	-173.9	-76	0	0	114.1	D935 W938 Q939	D935-M966 HydrophobicContact CB-CG 4.38Å; D935-M966 HydrophobicContact CB-SD 4.44Å; W938-M966 HydrophobicContact CB-CE 4.43Å; W938-M966 HydrophobicContact CB-CG 4.06Å; W938-M966 HydrophobicContact CD2-CB 3.83Å; W938-M966 HydrophobicContact CD2-CG 4.3Å; W938-M966 HydrophobicContact CE3-CB 4.36Å; W938-M966 HydrophobicContact CG-CB 3.9Å; W938-M966 HydrophobicContact CG-CE 3.91Å; W938-M966 HydrophobicContact CG-CG 3.85Å; Q939-M966 HydrophobicContact CG-CE 4.25Å
967	Y	79.3	Confident	86.8	Confident	143 Å²	143	34 Å²	34	56%	0.561	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6.4	-172.1	-49.1	-61.7	0	0	0	114.7	T965	T965-Y967 PolarHBondContact O-N 3.03Å
968	E	77.7	Confident	86.7	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.019	17%	0.166	C	C	.	.			trans	-90.1	144.6	-180	82.9	-169.8	-153.8	0	0	112.1	K218 Y219 M964 T965 N970 F971	K218-E968 IonicContact NZ-OE2 2.81Å; K218-E968 PolarHBondContact NZ-OE2 3.11Å; Y219-E968 PolarHBondContact OH-OE1 3.4Å; M964-E968 WeakPolarHBondContact CA-OE1 3.28Å; M964-E968 HydrophobicContact CB-CG 4.46Å; M964-E968 WeakPolarHBondContact CB-OE1 3.46Å; M964-E968 VanDerWaalsContact CG-OE1 3.31Å; M964-E968 WeakPolarHBondContact CG-OE1 3.48Å; T965-E968 VanDerWaalsContact N-CD 3.27Å; T965-E968 PolarHBondContact N-OE2 3.26Å; T965-E968 VanDerWaalsContact N-OE2 3.16Å; T965-E968 WeakPolarHBondContact O-CG 3.25Å; T965-E968 PolarHBondContact O-N 3.29Å; T965-E968 VanDerWaalsContact O-N 3.08Å; T965-E968 PolarHBondContact OG1-OE2 3.1Å; E968-N970 HydrophobicContact CG-CB 4.35Å; E968-N970 PolarHBondContact O-N 2.66Å; E968-F971 HydrophobicContact CG-CB 4.34Å; E968-F971 PolarHBondContact O-N 2.69Å
969	M	82.3	Confident	86.8	Confident	45 Å²	45	28.2 Å²	28.2	22%	0.222	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-30.2	-175.9	-166	64.9	85.4	0	0	113	R280 G798 L864 F971 S972 L973	R280-M969 HydrophobicContact CG-CB 4.21Å; G798-M969 WeakPolarHBondContact O-CE 3.49Å; L864-M969 HydrophobicContact CD1-CE 4.12Å; L864-M969 HydrophobicContact CD1-CG 4.3Å; L864-M969 HydrophobicContact CD1-SD 3.21Å; L864-M969 WeakPolarHBondContact CD1-SD 3.24Å; L864-M969 HydrophobicContact CD2-SD 4.23Å; L864-M969 HydrophobicContact CG-SD 4.36Å; M969-F971 VanDerWaalsContact C-N 3.35Å; M969-F971 PolarHBondContact O-N 2.91Å; M969-S972 PolarHBondContact O-N 3.15Å; M969-L973 HydrophobicContact CG-CD1 4.05Å; M969-L973 HydrophobicContact CG-CG 4.35Å; M969-L973 VanDerWaalsContact O-CG 3.24Å; M969-L973 WeakPolarHBondContact O-CG 3.31Å; M969-L973 PolarHBondContact O-N 3.1Å
970	N	85	Confident	86.8	Confident	18 Å²	18	28.4 Å²	28.4	10%	0.096	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-34.3	-177.4	-68.3	-31.2	0	0	0	112.9	Y219 R280 M964 E968 L973 L974	Y219-N970 VanDerWaalsContact CE2-ND2 3.27Å; Y219-N970 WeakPolarHBondContact CE2-ND2 3.48Å; Y219-N970 WeakPolarHBondContact OH-CB 3.17Å; Y219-N970 PolarHBondContact OH-ND2 3.1Å; R280-N970 VanDerWaalsContact CZ-OD1 3.28Å; R280-N970 PolarHBondContact NE-OD1 3.26Å; R280-N970 PolarHBondContact NH2-OD1 3.19Å; M964-N970 HydrophobicContact CE-CB 4.49Å; E968-N970 HydrophobicContact CG-CB 4.35Å; E968-N970 PolarHBondContact O-N 2.66Å; N970-L973 PolarHBondContact O-N 2.88Å; N970-L974 PolarHBondContact O-N 3.43Å
971	F	89.5	Confident	86.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-47.6	172.6	170.5	-107.1	0	0	0	111	Y934 V937 W938 L941 T960 M964 E968 M969 L973 L974 V975	Y934-F971 WeakPolarHBondContact O-CE1 3.4Å; V937-F971 HydrophobicContact CG1-CZ 4.25Å; W938-F971 HydrophobicContact CB-CE1 3.65Å; W938-F971 HydrophobicContact CB-CZ 3.75Å; W938-F971 HydrophobicContact CD2-CZ 4.5Å; W938-F971 AromaticContact CE3-CD1 3.85Å; W938-F971 HydrophobicContact CE3-CD1 3.85Å; W938-F971 AromaticContact CE3-CD2 3.71Å; W938-F971 HydrophobicContact CE3-CD2 3.71Å; W938-F971 AromaticContact CE3-CE1 3.89Å; W938-F971 HydrophobicContact CE3-CE1 3.89Å; W938-F971 AromaticContact CE3-CE2 3.75Å; W938-F971 HydrophobicContact CE3-CE2 3.75Å; W938-F971 AromaticContact CE3-CG 3.76Å; W938-F971 HydrophobicContact CE3-CG 3.76Å; W938-F971 AromaticContact CE3-CZ 3.84Å; W938-F971 HydrophobicContact CE3-CZ 3.84Å; W938-F971 HydrophobicContact CG-CE1 4.5Å; W938-F971 AromaticContact CZ3-CD2 3.98Å; W938-F971 HydrophobicContact CZ3-CD2 3.98Å; W938-F971 HydrophobicContact CZ3-CE2 4.35Å; W938-F971 HydrophobicContact CZ3-CG 4.11Å; L941-F971 HydrophobicContact CD2-CE2 4.28Å; T960-F971 HydrophobicContact CG2-CD2 3.79Å; T960-F971 HydrophobicContact CG2-CE2 3.9Å; M964-F971 HydrophobicContact CB-CB 4.2Å; M964-F971 VanDerWaalsContact SD-CA 3.53Å; M964-F971 HydrophobicContact SD-CB 3.9Å; M964-F971 HydrophobicContact SD-CD2 4.42Å; E968-F971 HydrophobicContact CG-CB 4.34Å; E968-F971 PolarHBondContact O-N 2.69Å; M969-F971 VanDerWaalsContact C-N 3.35Å; M969-F971 PolarHBondContact O-N 2.91Å; F971-L973 PolarHBondContact O-N 2.87Å; F971-L974 WeakPolarHBondContact O-CB 3.48Å; F971-L974 PolarHBondContact O-N 3.29Å; F971-L974 VanDerWaalsContact O-N 3.07Å; F971-V975 HydrophobicContact CD2-CG2 4.49Å; F971-V975 HydrophobicContact CE1-CG2 4.08Å; F971-V975 HydrophobicContact CE2-CG2 3.92Å; F971-V975 HydrophobicContact CZ-CG2 3.68Å; F971-V975 WeakPolarHBondContact O-CG2 3.32Å; F971-V975 PolarHBondContact O-N 3.26Å
972	S	90.6	Very high	86.7	Confident	13 Å²	13	31.8 Å²	31.8	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-38.4	176.6	-48.3	0	0	0	0	112	Y934 M969 V975 E976	Y934-S972 WeakPolarHBondContact CE1-O 3.27Å; M969-S972 PolarHBondContact O-N 3.15Å; S972-V975 PolarHBondContact O-N 2.97Å; S972-E976 PolarHBondContact O-N 2.93Å
973	L	89.6	Confident	86.8	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-69.5	-35.1	176	-70.5	169.7	0	0	0	113.4	Q800 L864 M969 N970 F971 V975 E976 D977	Q800-L973 VanDerWaalsContact CD-CD2 3.41Å; Q800-L973 HydrophobicContact CG-CD1 4.41Å; Q800-L973 HydrophobicContact CG-CD2 3.92Å; Q800-L973 VanDerWaalsContact NE2-CD1 3.29Å; L864-L973 HydrophobicContact CD1-CD2 4.3Å; L864-L973 HydrophobicContact CD2-CD2 3.65Å; L864-L973 HydrophobicContact CD2-CG 3.88Å; L864-L973 HydrophobicContact CG-CD2 3.72Å; L864-L973 HydrophobicContact CG-CG 4.39Å; M969-L973 HydrophobicContact CG-CD1 4.05Å; M969-L973 HydrophobicContact CG-CG 4.35Å; M969-L973 VanDerWaalsContact O-CG 3.24Å; M969-L973 WeakPolarHBondContact O-CG 3.31Å; M969-L973 PolarHBondContact O-N 3.1Å; N970-L973 PolarHBondContact O-N 2.88Å; F971-L973 PolarHBondContact O-N 2.87Å; L973-V975 VanDerWaalsContact C-N 3.32Å; L973-E976 WeakPolarHBondContact O-CB 3.39Å; L973-E976 PolarHBondContact O-N 3.3Å; L973-D977 PolarHBondContact O-N 3.38Å
974	L	91.4	Very high	87.2	Confident	54 Å²	54	39.6 Å²	39.6	28%	0.283	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-39.8	173.9	-179.3	65.2	0	0	0	111.4	L955 T960 M964 N970 F971 D977 T978	L955-L974 HydrophobicContact CD1-CD2 3.6Å; L955-L974 HydrophobicContact CD1-CG 3.72Å; T960-L974 HydrophobicContact CG2-CD2 3.7Å; M964-L974 HydrophobicContact CE-CB 4.47Å; M964-L974 HydrophobicContact CE-CD2 4.01Å; M964-L974 HydrophobicContact SD-CD2 4.03Å; N970-L974 PolarHBondContact O-N 3.43Å; F971-L974 WeakPolarHBondContact O-CB 3.48Å; F971-L974 PolarHBondContact O-N 3.29Å; F971-L974 VanDerWaalsContact O-N 3.07Å; L974-D977 PolarHBondContact O-N 2.84Å; L974-T978 PolarHBondContact O-N 3.28Å; L974-T978 PolarHBondContact O-OG1 3.15Å
975	V	93.6	Very high	87.5	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-44.9	172.7	177.1	0	0	0	0	110.6	F933 Y934 V937 L955 F971 S972 L973 D977 T978 L979	F933-V975 HydrophobicContact CE1-CG1 3.89Å; F933-V975 HydrophobicContact CZ-CG1 4.38Å; Y934-V975 HydrophobicContact CD1-CB 4Å; Y934-V975 HydrophobicContact CD1-CG1 4.06Å; Y934-V975 HydrophobicContact CD1-CG2 4.47Å; Y934-V975 HydrophobicContact CE1-CB 4.28Å; Y934-V975 HydrophobicContact CE1-CG1 4.25Å; V937-V975 HydrophobicContact CB-CG1 4.47Å; V937-V975 HydrophobicContact CB-CG2 4.33Å; V937-V975 HydrophobicContact CG1-CG1 4.07Å; V937-V975 HydrophobicContact CG1-CG2 3.7Å; V937-V975 HydrophobicContact CG2-CG1 4.24Å; L955-V975 HydrophobicContact CD2-CG2 4.15Å; F971-V975 HydrophobicContact CD2-CG2 4.49Å; F971-V975 HydrophobicContact CE1-CG2 4.08Å; F971-V975 HydrophobicContact CE2-CG2 3.92Å; F971-V975 HydrophobicContact CZ-CG2 3.68Å; F971-V975 WeakPolarHBondContact O-CG2 3.32Å; F971-V975 PolarHBondContact O-N 3.26Å; S972-V975 PolarHBondContact O-N 2.97Å; L973-V975 VanDerWaalsContact C-N 3.32Å; V975-D977 PolarHBondContact O-N 3Å; V975-T978 WeakPolarHBondContact O-CB 3.4Å; V975-T978 PolarHBondContact O-N 3.36Å; V975-L979 HydrophobicContact CG1-CD1 4.32Å; V975-L979 WeakPolarHBondContact O-CG 3.17Å; V975-L979 PolarHBondContact O-N 3.24Å; V975-L979 VanDerWaalsContact O-N 3.14Å
976	E	91.6	Very high	88.1	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-44	176	-77.8	-59.8	139.7	0	0	113.2	L864 Y934 S972 L973 T978 L979 K980 R988	L864-E976 HydrophobicContact CB-CG 4.22Å; L864-E976 HydrophobicContact CD2-CG 3.99Å; L864-E976 HydrophobicContact CG-CG 4.43Å; Y934-E976 HydrophobicContact CE1-CG 4.01Å; Y934-E976 WeakPolarHBondContact OH-CG 3.38Å; Y934-E976 PolarHBondContact OH-OE1 3.21Å; S972-E976 PolarHBondContact O-N 2.93Å; L973-E976 WeakPolarHBondContact O-CB 3.39Å; L973-E976 PolarHBondContact O-N 3.3Å; E976-T978 VanDerWaalsContact C-N 3.28Å; E976-T978 PolarHBondContact O-N 3.08Å; E976-L979 CarbonylContact O-C 3.59Å; E976-L979 PolarHBondContact O-N 3.37Å; E976-L979 VanDerWaalsContact O-N 3.17Å; E976-K980 PolarHBondContact O-N 3.38Å; E976-K980 VanDerWaalsContact O-N 3.07Å; E976-R988 IonicContact OE1-NH2 3.99Å; E976-R988 IonicContact OE2-CZ 3.67Å; E976-R988 IonicContact OE2-NH2 2.68Å; E976-R988 PolarHBondContact OE2-NH2 3.06Å
977	D	89.9	Confident	88.8	Confident	70 Å²	70	38.1 Å²	38.1	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-67.8	-31.1	178.3	-76.7	-20.8	0	0	0	111.6	K865 L973 L974 V975 L979 K980	K865-D977 IonicContact NZ-OD1 3.49Å; K865-D977 PolarHBondContact NZ-OD1 3.38Å; L973-D977 PolarHBondContact O-N 3.38Å; L974-D977 PolarHBondContact O-N 2.84Å; V975-D977 PolarHBondContact O-N 3Å; D977-L979 VanDerWaalsContact C-N 3.3Å; D977-L979 PolarHBondContact O-N 3.11Å; D977-K980 VanDerWaalsContact O-CB 3.26Å; D977-K980 WeakPolarHBondContact O-CB 3.36Å; D977-K980 PolarHBondContact O-N 3.01Å
978	T	91.9	Very high	89.5	Confident	10 Å²	10	31.3 Å²	31.3	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-36.2	171.8	-56.1	0	0	0	0	111.9	V950 T953 L955 L974 V975 E976	V950-T978 HydrophobicContact CG1-CG2 3.63Å; T953-T978 HydrophobicContact CG2-CG2 4.18Å; L955-T978 HydrophobicContact CB-CG2 3.97Å; L974-T978 PolarHBondContact O-N 3.28Å; L974-T978 PolarHBondContact O-OG1 3.15Å; V975-T978 WeakPolarHBondContact O-CB 3.4Å; V975-T978 PolarHBondContact O-N 3.36Å; E976-T978 VanDerWaalsContact C-N 3.28Å; E976-T978 PolarHBondContact O-N 3.08Å
979	L	91.8	Very high	90.2	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.7	178.5	-61.6	173.4	0	0	0	113.4	F933 V950 V975 E976 D977 N981 I982 R988 I991	F933-L979 HydrophobicContact CE1-CD1 4.32Å; F933-L979 HydrophobicContact CZ-CD1 4.06Å; V950-L979 HydrophobicContact CG1-CD2 3.91Å; V975-L979 HydrophobicContact CG1-CD1 4.32Å; V975-L979 WeakPolarHBondContact O-CG 3.17Å; V975-L979 PolarHBondContact O-N 3.24Å; V975-L979 VanDerWaalsContact O-N 3.14Å; E976-L979 CarbonylContact O-C 3.59Å; E976-L979 PolarHBondContact O-N 3.37Å; E976-L979 VanDerWaalsContact O-N 3.17Å; D977-L979 VanDerWaalsContact C-N 3.3Å; D977-L979 PolarHBondContact O-N 3.11Å; L979-N981 VanDerWaalsContact C-N 3.34Å; L979-N981 PolarHBondContact O-N 2.99Å; L979-I982 HydrophobicContact CB-CD1 4.38Å; L979-I982 HydrophobicContact CD2-CD1 3.96Å; L979-I982 PolarHBondContact O-N 2.91Å; L979-R988 VanDerWaalsContact C-NH1 3.26Å; L979-R988 PolarHBondContact O-NH1 2.81Å; L979-I991 HydrophobicContact CD2-CG2 3.59Å
980	K	86.2	Confident	90.9	Very high	65 Å²	65	29.8 Å²	29.8	28%	0.283	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.8	-170.7	-178.3	-171	173.9	-170.2	0	113.4	E976 D977 I982	E976-K980 PolarHBondContact O-N 3.38Å; E976-K980 VanDerWaalsContact O-N 3.07Å; D977-K980 VanDerWaalsContact O-CB 3.26Å; D977-K980 WeakPolarHBondContact O-CB 3.36Å; D977-K980 PolarHBondContact O-N 3.01Å; K980-I982 PolarHBondContact O-N 3.06Å
981	N	84.4	Confident	91.4	Very high	89 Å²	89	28.9 Å²	28.9	48%	0.476	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	6.5	-173.8	-65.9	-23.2	0	0	0	113.6	T953 L979 D983	T953-N981 PolarHBondContact OG1-ND2 2.87Å; L979-N981 VanDerWaalsContact C-N 3.34Å; L979-N981 PolarHBondContact O-N 2.99Å; N981-D983 PolarHBondContact O-N 2.96Å
982	I	89.6	Confident	91.7	Very high	8 Å²	8	29 Å²	29	4%	0.041	15%	0.149	C	C	.	.			trans	-83.2	107.9	173.4	-58.6	169	0	0	0	108.5	W870 V950 L979 K980 Y987 R988 I991	W870-I982 WeakPolarHBondContact CH2-O 3.2Å; V950-I982 HydrophobicContact CG2-CD1 3.89Å; V950-I982 HydrophobicContact CG2-CG1 4.36Å; L979-I982 HydrophobicContact CB-CD1 4.38Å; L979-I982 HydrophobicContact CD2-CD1 3.96Å; L979-I982 PolarHBondContact O-N 2.91Å; K980-I982 PolarHBondContact O-N 3.06Å; I982-Y987 HydrophobicContact CG2-CD1 3.73Å; I982-Y987 HydrophobicContact CG2-CG 4.48Å; I982-R988 HydrophobicContact CB-CB 4.22Å; I982-R988 HydrophobicContact CD1-CB 4.36Å; I982-R988 HydrophobicContact CD1-CG 4.31Å; I982-R988 HydrophobicContact CG2-CB 3.74Å; I982-I991 HydrophobicContact CD1-CB 4.29Å; I982-I991 HydrophobicContact CD1-CG1 4.08Å; I982-I991 HydrophobicContact CD1-CG2 4.32Å
983	D	86.3	Confident	91.9	Very high	117 Å²	117	30 Å²	30	63%	0.626	15%	0.153	S	C	*	.			trans	-75.5	-29.5	-174.9	-64.6	-36.6	0	0	0	113.9	W870 N981 P985	W870-D983 WeakPolarHBondContact CH2-O 3.49Å; N981-D983 PolarHBondContact O-N 2.96Å; D983-P985 WeakPolarHBondContact O-CD 3.44Å
984	L	91.6	Very high	92.3	Very high	94 Å²	94	29.8 Å²	29.8	49%	0.492	15%	0.152	S	C	.	.			trans	-92	114.7	-178.3	-65.7	176.4	0	0	0	110.8	E986 Y987 R988	L984-E986 VanDerWaalsContact C-N 3.31Å; L984-E986 PolarHBondContact O-N 2.96Å; L984-Y987 PolarHBondContact O-N 2.88Å; L984-Y987 VanDerWaalsContact O-N 3.14Å; L984-R988 PolarHBondContact O-N 2.96Å
985	P	92.8	Very high	92.5	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.032	14%	0.14	C	C	.	.	H	α-helix	trans	-52.7	-45	179.3	-27.3	33.4	0	0	0	113.9	W870 Q921 G924 S925 D983 Y987 R988 Q989	W870-P985 HydrophobicContact CE3-CG 4.3Å; W870-P985 HydrophobicContact CZ3-CG 3.88Å; Q921-P985 VanDerWaalsContact O-CB 3.31Å; Q921-P985 WeakPolarHBondContact O-CB 2.85Å; G924-P985 VanDerWaalsContact CA-O 3.32Å; G924-P985 WeakPolarHBondContact CA-O 3.22Å; S925-P985 WeakPolarHBondContact OG-CB 3.35Å; S925-P985 WeakPolarHBondContact OG-CG 3.41Å; D983-P985 WeakPolarHBondContact O-CD 3.44Å; P985-Y987 PolarHBondContact O-N 3.3Å; P985-R988 WeakPolarHBondContact O-CB 3.3Å; P985-R988 PolarHBondContact O-N 3.29Å; P985-Q989 PolarHBondContact O-N 3.13Å
986	E	93.8	Very high	92.6	Very high	24 Å²	24	28.8 Å²	28.8	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-36.3	-179.4	53.5	-92	-118.8	0	0	112.8	L917 R920 Q921 L984 Q989 I990 Y1047	L917-E986 HydrophobicContact CD1-CB 4.25Å; L917-E986 HydrophobicContact CD1-CG 4.26Å; R920-E986 HydrophobicContact CB-CB 3.97Å; Q921-E986 HydrophobicContact CG-CB 4.13Å; Q921-E986 HydrophobicContact CG-CG 4.45Å; Q921-E986 PolarHBondContact NE2-OE1 2.74Å; L984-E986 VanDerWaalsContact C-N 3.31Å; L984-E986 PolarHBondContact O-N 2.96Å; E986-Q989 PolarHBondContact O-N 3.2Å; E986-I990 PolarHBondContact O-N 3.27Å; E986-Y1047 HydrophobicContact CB-CD2 4.25Å; E986-Y1047 HydrophobicContact CB-CG 4.25Å; E986-Y1047 HydrophobicContact CG-CD2 3.55Å; E986-Y1047 HydrophobicContact CG-CE2 3.71Å; E986-Y1047 HydrophobicContact CG-CG 4.06Å
987	Y	95.2	Very high	92.8	Very high	29 Å²	29	29.5 Å²	29.5	11%	0.114	15%	0.15	C	C	.	.	H	α-helix	trans	-68.5	-40.6	175.2	-170.6	-107.5	0	0	0	111.3	I982 L984 P985 Q989 I990 I991 D1017 V1020 M1043 Y1047	I982-Y987 HydrophobicContact CG2-CD1 3.73Å; I982-Y987 HydrophobicContact CG2-CG 4.48Å; L984-Y987 PolarHBondContact O-N 2.88Å; L984-Y987 VanDerWaalsContact O-N 3.14Å; P985-Y987 PolarHBondContact O-N 3.3Å; Y987-Q989 PolarHBondContact O-N 3.23Å; Y987-I990 WeakPolarHBondContact O-CB 3.42Å; Y987-I990 PolarHBondContact O-N 3.05Å; Y987-I991 HydrophobicContact CD1-CG1 4.19Å; Y987-I991 HydrophobicContact CE1-CD1 4.07Å; Y987-I991 HydrophobicContact CE1-CG1 3.92Å; Y987-I991 PolarHBondContact O-N 3.44Å; Y987-D1017 WeakPolarHBondContact CE1-OD1 3.32Å; Y987-D1017 WeakPolarHBondContact OH-CA 3.39Å; Y987-D1017 PolarHBondContact OH-OD1 2.69Å; Y987-D1017 VanDerWaalsContact OH-OD1 3.07Å; Y987-V1020 HydrophobicContact CE2-CB 4.27Å; Y987-V1020 HydrophobicContact CE2-CG1 3.65Å; Y987-M1043 HydrophobicContact CE2-SD 4.41Å; Y987-Y1047 HydrophobicContact CD2-CE1 4.22Å; Y987-Y1047 WeakPolarHBondContact CD2-OH 2.95Å
988	R	94	Very high	93	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.4	-41.4	173.8	-178.3	-178.8	168.4	99.6	3	111.2	N927 E976 L979 I982 L984 P985 I991 V992	N927-R988 PolarHBondContact OD1-NE 2.83Å; N927-R988 VanDerWaalsContact OD1-NE 3.14Å; E976-R988 IonicContact OE1-NH2 3.99Å; E976-R988 IonicContact OE2-CZ 3.67Å; E976-R988 IonicContact OE2-NH2 2.68Å; E976-R988 PolarHBondContact OE2-NH2 3.06Å; L979-R988 VanDerWaalsContact C-NH1 3.26Å; L979-R988 PolarHBondContact O-NH1 2.81Å; I982-R988 HydrophobicContact CB-CB 4.22Å; I982-R988 HydrophobicContact CD1-CB 4.36Å; I982-R988 HydrophobicContact CD1-CG 4.31Å; I982-R988 HydrophobicContact CG2-CB 3.74Å; L984-R988 PolarHBondContact O-N 2.96Å; P985-R988 WeakPolarHBondContact O-CB 3.3Å; P985-R988 PolarHBondContact O-N 3.29Å; R988-I991 PolarHBondContact O-N 2.75Å; R988-V992 WeakPolarHBondContact O-CG2 3.49Å; R988-V992 PolarHBondContact O-N 2.96Å
989	Q	93.9	Very high	93.1	Very high	16 Å²	16	25.9 Å²	25.9	8%	0.075	13%	0.131	C	C	.	.	H	α-helix	trans	-67.6	-36.7	176.2	-77.1	-60.8	-23.5	0	0	113.2	R920 D923 G924 R928 P985 E986 Y987 I991 V992 E993	R920-Q989 HydrophobicContact CB-CB 4.04Å; R920-Q989 HydrophobicContact CB-CG 4.46Å; R920-Q989 HydrophobicContact CG-CB 4.02Å; R920-Q989 WeakPolarHBondContact O-CG 3.04Å; D923-Q989 HydrophobicContact CB-CG 4.2Å; D923-Q989 PolarHBondContact O-NE2 3.34Å; G924-Q989 VanDerWaalsContact N-CG 3.33Å; R928-Q989 PolarHBondContact O-NE2 2.81Å; P985-Q989 PolarHBondContact O-N 3.13Å; E986-Q989 PolarHBondContact O-N 3.2Å; Y987-Q989 PolarHBondContact O-N 3.23Å; Q989-I991 VanDerWaalsContact C-N 3.29Å; Q989-I991 PolarHBondContact O-N 2.86Å; Q989-V992 PolarHBondContact O-N 2.88Å; Q989-E993 WeakPolarHBondContact O-CG 3.44Å; Q989-E993 PolarHBondContact O-N 3.42Å
990	I	95.9	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-39.9	172.1	-66.2	-64.4	0	0	0	111.6	E986 Y987 E993 L994 V1020 F1046 Y1047 L1061	E986-I990 PolarHBondContact O-N 3.27Å; Y987-I990 WeakPolarHBondContact O-CB 3.42Å; Y987-I990 PolarHBondContact O-N 3.05Å; I990-E993 PolarHBondContact O-N 3.46Å; I990-L994 WeakPolarHBondContact O-CB 3.24Å; I990-L994 PolarHBondContact O-N 2.64Å; I990-V1020 HydrophobicContact CG2-CG1 3.76Å; I990-V1020 HydrophobicContact CG2-CG2 3.84Å; I990-F1046 HydrophobicContact CD1-CE1 4.29Å; I990-F1046 HydrophobicContact CG2-CE1 4.41Å; I990-Y1047 HydrophobicContact CD1-CD1 4.31Å; I990-Y1047 HydrophobicContact CG1-CD1 3.76Å; I990-Y1047 HydrophobicContact CG1-CE1 3.91Å; I990-L1061 HydrophobicContact CG2-CD2 4.5Å
991	I	96.7	Very high	93.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-42.4	175.7	-66.6	-67.2	0	0	0	111.5	V950 L979 I982 Y987 R988 Q989 L994 L995 L1016 V1020	V950-I991 HydrophobicContact CG2-CD1 3.98Å; V950-I991 HydrophobicContact CG2-CG1 4.16Å; V950-I991 HydrophobicContact CG2-CG2 4.05Å; L979-I991 HydrophobicContact CD2-CG2 3.59Å; I982-I991 HydrophobicContact CD1-CB 4.29Å; I982-I991 HydrophobicContact CD1-CG1 4.08Å; I982-I991 HydrophobicContact CD1-CG2 4.32Å; Y987-I991 HydrophobicContact CD1-CG1 4.19Å; Y987-I991 HydrophobicContact CE1-CD1 4.07Å; Y987-I991 HydrophobicContact CE1-CG1 3.92Å; Y987-I991 PolarHBondContact O-N 3.44Å; R988-I991 PolarHBondContact O-N 2.75Å; Q989-I991 VanDerWaalsContact C-N 3.29Å; Q989-I991 PolarHBondContact O-N 2.86Å; I991-L994 PolarHBondContact O-N 2.79Å; I991-L995 HydrophobicContact CG2-CD1 4.33Å; I991-L995 PolarHBondContact O-N 2.79Å; I991-L1016 HydrophobicContact CD1-CB 3.86Å; I991-L1016 HydrophobicContact CG2-CD1 3.86Å; I991-V1020 HydrophobicContact CD1-CG2 3.77Å
992	V	95.4	Very high	94	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-45.6	174.9	170.7	0	0	0	0	110.7	T929 P930 F933 R988 Q989 L994 L995 M996	T929-V992 HydrophobicContact CG2-CG2 4.48Å; P930-V992 VanDerWaalsContact CD-CG1 3.5Å; P930-V992 HydrophobicContact CG-CG1 4.3Å; F933-V992 HydrophobicContact CD2-CG1 4.06Å; F933-V992 HydrophobicContact CE2-CB 4.32Å; F933-V992 HydrophobicContact CE2-CG1 3.85Å; F933-V992 HydrophobicContact CE2-CG2 4.31Å; F933-V992 HydrophobicContact CZ-CG2 4.24Å; R988-V992 WeakPolarHBondContact O-CG2 3.49Å; R988-V992 PolarHBondContact O-N 2.96Å; Q989-V992 PolarHBondContact O-N 2.88Å; V992-L994 VanDerWaalsContact C-N 3.34Å; V992-L994 PolarHBondContact O-N 3.25Å; V992-L995 PolarHBondContact O-N 3.39Å; V992-M996 VanDerWaalsContact O-CG 3.29Å; V992-M996 WeakPolarHBondContact O-CG 3.28Å; V992-M996 PolarHBondContact O-N 2.73Å; V992-M996 VanDerWaalsContact O-N 3.11Å
993	E	95.1	Very high	94	Very high	35 Å²	35	25.1 Å²	25.1	16%	0.164	13%	0.129	C	C	.	.	H	α-helix	trans	-59.2	-43.3	174.4	-72.8	176.6	-156.3	0	0	111.7	R920 Q989 I990 M996 V997 T1057 L1061	R920-E993 IonicContact CZ-OE1 3.64Å; R920-E993 IonicContact CZ-OE2 3.07Å; R920-E993 IonicContact NE-OE1 3.82Å; R920-E993 PolarHBondContact NE-OE1 3.26Å; R920-E993 IonicContact NE-OE2 2.91Å; R920-E993 VanDerWaalsContact NH2-CD 3.34Å; R920-E993 IonicContact NH2-OE1 3.31Å; R920-E993 PolarHBondContact NH2-OE1 3.22Å; R920-E993 IonicContact NH2-OE2 2.83Å; R920-E993 PolarHBondContact NH2-OE2 2.77Å; Q989-E993 WeakPolarHBondContact O-CG 3.44Å; Q989-E993 PolarHBondContact O-N 3.42Å; I990-E993 PolarHBondContact O-N 3.46Å; E993-M996 WeakPolarHBondContact O-CB 3.37Å; E993-M996 PolarHBondContact O-N 3.22Å; E993-V997 WeakPolarHBondContact O-CG2 3.45Å; E993-V997 PolarHBondContact O-N 2.79Å; E993-T1057 PolarHBondContact OE2-OG1 2.79Å; E993-L1061 HydrophobicContact CB-CD1 4.41Å
994	L	96.5	Very high	94.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-48.2	177.5	173.1	59.6	0	0	0	111.7	I990 I991 V992 M996 V997 V998 L1016 L1019 V1020 L1061 V1065	I990-L994 WeakPolarHBondContact O-CB 3.24Å; I990-L994 PolarHBondContact O-N 2.64Å; I991-L994 PolarHBondContact O-N 2.79Å; V992-L994 VanDerWaalsContact C-N 3.34Å; V992-L994 PolarHBondContact O-N 3.25Å; L994-M996 PolarHBondContact O-N 3.02Å; L994-V997 WeakPolarHBondContact O-CA 3.41Å; L994-V997 WeakPolarHBondContact O-CB 3.43Å; L994-V997 PolarHBondContact O-N 3.33Å; L994-V998 HydrophobicContact CD1-CG2 4.07Å; L994-V998 HydrophobicContact CG-CG2 4.41Å; L994-V998 WeakPolarHBondContact O-CG2 3.41Å; L994-V998 PolarHBondContact O-N 3.18Å; L994-L1016 HydrophobicContact CD2-CB 4.09Å; L994-L1016 HydrophobicContact CD2-CD2 4.04Å; L994-L1016 HydrophobicContact CG-CD2 4.48Å; L994-L1019 HydrophobicContact CD1-CD1 4.47Å; L994-L1019 HydrophobicContact CD2-CB 3.83Å; L994-L1019 HydrophobicContact CD2-CD1 4.31Å; L994-V1020 HydrophobicContact CD2-CG2 3.73Å; L994-L1061 HydrophobicContact CB-CD1 4.32Å; L994-L1061 HydrophobicContact CB-CD2 4.28Å; L994-L1061 HydrophobicContact CD1-CB 4.16Å; L994-L1061 HydrophobicContact CD1-CD2 4.08Å; L994-V1065 HydrophobicContact CD1-CG2 3.55Å
995	L	96.7	Very high	94.2	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-58.7	-38.2	176.6	-76.8	168.3	0	0	0	111.6	F933 V937 I940 I948 I991 V992 V998 A999 L1016	F933-L995 HydrophobicContact CE2-CB 3.97Å; F933-L995 HydrophobicContact CE2-CD1 3.91Å; F933-L995 HydrophobicContact CZ-CD1 3.75Å; V937-L995 HydrophobicContact CG2-CD1 4.17Å; I940-L995 HydrophobicContact CD1-CB 4.43Å; I940-L995 HydrophobicContact CD1-CD2 3.98Å; I940-L995 VanDerWaalsContact CD1-O 3.27Å; I940-L995 WeakPolarHBondContact CD1-O 3.19Å; I948-L995 HydrophobicContact CD1-CD2 4.33Å; I991-L995 HydrophobicContact CG2-CD1 4.33Å; I991-L995 PolarHBondContact O-N 2.79Å; V992-L995 PolarHBondContact O-N 3.39Å; L995-V998 PolarHBondContact O-N 3.47Å; L995-A999 WeakPolarHBondContact O-CB 3.2Å; L995-A999 PolarHBondContact O-N 3.13Å; L995-L1016 HydrophobicContact CD1-CD1 4.17Å; L995-L1016 HydrophobicContact CD2-CD1 3.82Å; L995-L1016 HydrophobicContact CD2-CD2 4.26Å; L995-L1016 HydrophobicContact CG-CD1 3.91Å
996	M	95.6	Very high	94	Very high	30 Å²	30	30.7 Å²	30.7	15%	0.148	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-37.7	175	-66.2	-64	-73.5	0	0	112.4	P930 F933 V992 E993 L994 V1000	P930-M996 HydrophobicContact CB-CE 3.74Å; P930-M996 HydrophobicContact CB-SD 4.37Å; P930-M996 HydrophobicContact CG-CE 4.2Å; P930-M996 HydrophobicContact CG-CG 4.14Å; P930-M996 HydrophobicContact CG-SD 4.44Å; F933-M996 HydrophobicContact CB-SD 4.4Å; F933-M996 HydrophobicContact CD2-CG 4.23Å; F933-M996 HydrophobicContact CD2-SD 3.84Å; V992-M996 VanDerWaalsContact O-CG 3.29Å; V992-M996 WeakPolarHBondContact O-CG 3.28Å; V992-M996 PolarHBondContact O-N 2.73Å; V992-M996 VanDerWaalsContact O-N 3.11Å; E993-M996 WeakPolarHBondContact O-CB 3.37Å; E993-M996 PolarHBondContact O-N 3.22Å; L994-M996 PolarHBondContact O-N 3.02Å; M996-V1000 VanDerWaalsContact O-CG2 3.32Å; M996-V1000 WeakPolarHBondContact O-CG2 3.39Å; M996-V1000 PolarHBondContact O-N 3.05Å; M996-V1000 VanDerWaalsContact O-N 3.11Å
997	V	95	Very high	93.6	Very high	16 Å²	16	33 Å²	33	10%	0.097	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-47.9	173.1	168.7	0	0	0	0	110.8	E993 L994 A999 V1000 V1001 T1062	E993-V997 WeakPolarHBondContact O-CG2 3.45Å; E993-V997 PolarHBondContact O-N 2.79Å; L994-V997 WeakPolarHBondContact O-CA 3.41Å; L994-V997 WeakPolarHBondContact O-CB 3.43Å; L994-V997 PolarHBondContact O-N 3.33Å; V997-A999 VanDerWaalsContact C-N 3.33Å; V997-A999 PolarHBondContact O-N 3.04Å; V997-V1000 PolarHBondContact O-N 2.87Å; V997-V1001 HydrophobicContact CG1-CG2 4.33Å; V997-V1001 WeakPolarHBondContact O-CG2 3.4Å; V997-V1001 PolarHBondContact O-N 3.19Å; V997-T1062 WeakPolarHBondContact CG1-OG1 3.48Å
998	V	95.3	Very high	93.2	Very high	3 Å²	3	32 Å²	32	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-57.7	-46.7	178.2	175.9	0	0	0	0	110.6	I940 L994 L995 V1000 V1001 L1002 F1010 V1065	I940-V998 HydrophobicContact CD1-CB 4.2Å; I940-V998 HydrophobicContact CD1-CG1 4.15Å; I940-V998 HydrophobicContact CG1-CG1 4.02Å; I940-V998 HydrophobicContact CG2-CG1 3.93Å; L994-V998 HydrophobicContact CD1-CG2 4.07Å; L994-V998 HydrophobicContact CG-CG2 4.41Å; L994-V998 WeakPolarHBondContact O-CG2 3.41Å; L994-V998 PolarHBondContact O-N 3.18Å; L995-V998 PolarHBondContact O-N 3.47Å; V998-V1000 PolarHBondContact O-N 2.94Å; V998-V1001 PolarHBondContact O-N 3.09Å; V998-L1002 HydrophobicContact CG1-CD1 3.9Å; V998-L1002 HydrophobicContact CG1-CG 4.35Å; V998-L1002 WeakPolarHBondContact O-CG 3.33Å; V998-L1002 PolarHBondContact O-N 3.3Å; V998-F1010 HydrophobicContact CG1-CE2 3.75Å; V998-F1010 HydrophobicContact CG1-CZ 3.88Å; V998-V1065 HydrophobicContact CG2-CG1 4.01Å; V998-V1065 HydrophobicContact CG2-CG2 3.6Å
999	A	94.3	Very high	92.9	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-48.2	177.4	0	0	0	0	0	112.1	R936 I940 L995 V997 V1001 L1002 E1003	R936-A999 HydrophobicContact CB-CB 3.69Å; R936-A999 HydrophobicContact CG-CB 4.03Å; I940-A999 HydrophobicContact CD1-CB 3.91Å; I940-A999 HydrophobicContact CG1-CB 4.06Å; L995-A999 WeakPolarHBondContact O-CB 3.2Å; L995-A999 PolarHBondContact O-N 3.13Å; V997-A999 VanDerWaalsContact C-N 3.33Å; V997-A999 PolarHBondContact O-N 3.04Å; A999-V1001 VanDerWaalsContact C-N 3.33Å; A999-V1001 PolarHBondContact O-N 3.4Å; A999-L1002 PolarHBondContact O-N 3.35Å; A999-E1003 WeakPolarHBondContact O-CB 3.43Å; A999-E1003 VanDerWaalsContact O-CG 3.28Å; A999-E1003 WeakPolarHBondContact O-CG 3.36Å; A999-E1003 PolarHBondContact O-N 3.41Å
1000	V	93.8	Very high	92.7	Very high	47 Å²	47	34 Å²	34	29%	0.285	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-38	178.9	171.4	0	0	0	0	112	M996 V997 V998 R1004	M996-V1000 VanDerWaalsContact O-CG2 3.32Å; M996-V1000 WeakPolarHBondContact O-CG2 3.39Å; M996-V1000 PolarHBondContact O-N 3.05Å; M996-V1000 VanDerWaalsContact O-N 3.11Å; V997-V1000 PolarHBondContact O-N 2.87Å; V998-V1000 PolarHBondContact O-N 2.94Å; V1000-R1004 WeakPolarHBondContact O-CB 3.37Å; V1000-R1004 WeakPolarHBondContact O-CG 3.45Å; V1000-R1004 PolarHBondContact O-N 3.4Å; V1000-R1004 VanDerWaalsContact O-N 3.14Å
1001	V	93.8	Very high	92.2	Very high	12 Å²	12	37 Å²	37	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-47.5	176.1	170.5	0	0	0	0	110.5	V997 V998 A999 R1004 N1005 T1062 V1065 M1066 L1069	V997-V1001 HydrophobicContact CG1-CG2 4.33Å; V997-V1001 WeakPolarHBondContact O-CG2 3.4Å; V997-V1001 PolarHBondContact O-N 3.19Å; V998-V1001 PolarHBondContact O-N 3.09Å; A999-V1001 VanDerWaalsContact C-N 3.33Å; A999-V1001 PolarHBondContact O-N 3.4Å; V1001-R1004 PolarHBondContact O-N 2.97Å; V1001-N1005 PolarHBondContact O-N 2.76Å; V1001-N1005 VanDerWaalsContact O-N 3.08Å; V1001-N1005 PolarHBondContact O-ND2 2.8Å; V1001-T1062 HydrophobicContact CG2-CG2 4.18Å; V1001-V1065 HydrophobicContact CB-CG1 4.47Å; V1001-V1065 HydrophobicContact CG1-CG1 4.34Å; V1001-M1066 HydrophobicContact CG1-SD 3.54Å; V1001-M1066 VanDerWaalsContact CG1-SD 3.54Å; V1001-L1069 HydrophobicContact CG1-CD1 3.58Å
1002	L	92.1	Very high	91.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-69.3	-34.7	178.5	-67.5	175.2	0	0	0	112.8	I940 R943 V998 A999 R1004 N1005 F1010 L1069	I940-L1002 HydrophobicContact CB-CD1 4.47Å; I940-L1002 HydrophobicContact CG1-CD1 4.27Å; I940-L1002 HydrophobicContact CG2-CD1 4.36Å; R943-L1002 HydrophobicContact CB-CD1 4.16Å; R943-L1002 PolarHBondContact NH1-O 3.02Å; V998-L1002 HydrophobicContact CG1-CD1 3.9Å; V998-L1002 HydrophobicContact CG1-CG 4.35Å; V998-L1002 WeakPolarHBondContact O-CG 3.33Å; V998-L1002 PolarHBondContact O-N 3.3Å; A999-L1002 PolarHBondContact O-N 3.35Å; L1002-R1004 VanDerWaalsContact C-N 3.3Å; L1002-R1004 PolarHBondContact O-N 2.76Å; L1002-N1005 CarbonylContact O-C 3.6Å; L1002-F1010 HydrophobicContact CD1-CE2 4.12Å; L1002-L1069 HydrophobicContact CD2-CD1 4.17Å; L1002-L1069 HydrophobicContact CD2-CD2 4.04Å
1003	E	91.3	Very high	91.6	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-37.6	174.5	-80.1	174.3	-168.7	0	0	111.5	R936 Q939 A999	R936-E1003 IonicContact NE-OE1 2.7Å; Q939-E1003 PolarHBondContact OE1-OE1 2.75Å; A999-E1003 WeakPolarHBondContact O-CB 3.43Å; A999-E1003 VanDerWaalsContact O-CG 3.28Å; A999-E1003 WeakPolarHBondContact O-CG 3.36Å; A999-E1003 PolarHBondContact O-N 3.41Å
1004	R	91.6	Very high	91.5	Very high	200 Å²	200	45 Å²	45	76%	0.755	24%	0.235	S	C	*	.	H	α-helix	trans	-82.1	-23.5	-179.4	-73.1	-178.3	176.2	-171.5	-0.7	114.4	V1000 V1001 L1002	V1000-R1004 WeakPolarHBondContact O-CB 3.37Å; V1000-R1004 WeakPolarHBondContact O-CG 3.45Å; V1000-R1004 PolarHBondContact O-N 3.4Å; V1000-R1004 VanDerWaalsContact O-N 3.14Å; V1001-R1004 PolarHBondContact O-N 2.97Å; L1002-R1004 VanDerWaalsContact C-N 3.3Å; L1002-R1004 PolarHBondContact O-N 2.76Å
1005	N	90.3	Very high	91.4	Very high	46 Å²	46	47.5 Å²	47.5	25%	0.246	25%	0.248	C	C	.	.			trans	-126.1	74.7	-177.5	-51.5	-85.7	0	0	0	108.7	V1001 L1002 E1007 L1008	V1001-N1005 PolarHBondContact O-N 2.76Å; V1001-N1005 VanDerWaalsContact O-N 3.08Å; V1001-N1005 PolarHBondContact O-ND2 2.8Å; L1002-N1005 CarbonylContact O-C 3.6Å; N1005-E1007 WeakPolarHBondContact CA-OE2 3.48Å; N1005-E1007 PolarHBondContact O-N 2.96Å; N1005-E1007 VanDerWaalsContact O-N 3.14Å; N1005-L1008 HydrophobicContact CB-CB 4.29Å; N1005-L1008 HydrophobicContact CB-CD1 3.58Å; N1005-L1008 HydrophobicContact CB-CG 3.79Å; N1005-L1008 PolarHBondContact O-N 2.7Å
1006	P	87.3	Confident	91.4	Very high	87 Å²	87	47.3 Å²	47.3	57%	0.565	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.9	-176	26.5	-35.8	0	0	0	114.3	L1008	P1006-L1008 VanDerWaalsContact C-N 3.35Å
1007	E	85.6	Confident	91.4	Very high	72 Å²	72	47.1 Å²	47.1	34%	0.336	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.4	174.9	70.7	-76.7	-179	0	0	114.2	N1005	N1005-E1007 WeakPolarHBondContact CA-OE2 3.48Å; N1005-E1007 PolarHBondContact O-N 2.96Å; N1005-E1007 VanDerWaalsContact O-N 3.14Å
1008	L	87.2	Confident	91.3	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	26%	0.258	C	S	.	.			trans	-91.8	136.1	-179.4	-60.7	-178.2	0	0	0	111.5	N1005 P1006 L1069 M1074	N1005-L1008 HydrophobicContact CB-CB 4.29Å; N1005-L1008 HydrophobicContact CB-CD1 3.58Å; N1005-L1008 HydrophobicContact CB-CG 3.79Å; N1005-L1008 PolarHBondContact O-N 2.7Å; P1006-L1008 VanDerWaalsContact C-N 3.35Å; L1008-L1069 HydrophobicContact CD1-CB 4.39Å; L1008-L1069 HydrophobicContact CD1-CD1 4.34Å; L1008-M1074 HydrophobicContact CD2-SD 3.65Å
1009	E	87.8	Confident	91.3	Very high	53 Å²	53	48.6 Å²	48.6	25%	0.248	26%	0.258	C	S	.	.			trans	-138.8	157.4	169.2	63.1	-176.5	-172.3	0	0	109.5	K1075	E1009-K1075 WeakPolarHBondContact OE1-CD 3.39Å; E1009-K1075 WeakPolarHBondContact OE1-CE 3.38Å; E1009-K1075 IonicContact OE1-NZ 2.76Å; E1009-K1075 PolarHBondContact OE1-NZ 3.16Å; E1009-K1075 IonicContact OE2-NZ 2.74Å; E1009-K1075 PolarHBondContact OE2-NZ 2.93Å
1010	F	89.8	Confident	91.4	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.022	26%	0.257	C	S	.	.			trans	-75.8	147.6	171.8	-67.8	-80.5	0	0	0	110.1	R943 T944 P945 V998 L1002 V1014 Q1068 L1069	R943-F1010 PolarHBondContact O-N 2.87Å; R943-F1010 VanDerWaalsContact O-N 3.09Å; T944-F1010 HydrophobicContact CG2-CB 4.17Å; T944-F1010 HydrophobicContact CG2-CD2 4.13Å; T944-F1010 HydrophobicContact CG2-CG 4.39Å; T944-F1010 WeakPolarHBondContact OG1-CD2 3.27Å; P945-F1010 WeakPolarHBondContact CD-O 3.44Å; P945-F1010 VanDerWaalsContact CG-O 3.22Å; P945-F1010 WeakPolarHBondContact CG-O 3.3Å; V998-F1010 HydrophobicContact CG1-CE2 3.75Å; V998-F1010 HydrophobicContact CG1-CZ 3.88Å; L1002-F1010 HydrophobicContact CD1-CE2 4.12Å; F1010-V1014 HydrophobicContact CB-CG2 3.81Å; F1010-V1014 HydrophobicContact CD1-CG2 3.25Å; F1010-V1014 HydrophobicContact CD2-CG2 3.62Å; F1010-V1014 HydrophobicContact CE1-CG1 4.33Å; F1010-V1014 HydrophobicContact CE1-CG2 3.56Å; F1010-V1014 HydrophobicContact CE2-CG2 3.9Å; F1010-V1014 HydrophobicContact CG-CG2 3.27Å; F1010-V1014 HydrophobicContact CZ-CG1 4.42Å; F1010-V1014 HydrophobicContact CZ-CG2 3.86Å; F1010-Q1068 HydrophobicContact CD1-CG 4.5Å; F1010-Q1068 HydrophobicContact CE1-CG 4.41Å; F1010-L1069 HydrophobicContact CD1-CD2 3.53Å; F1010-L1069 HydrophobicContact CD1-CG 4.17Å; F1010-L1069 HydrophobicContact CD2-CD2 3.93Å; F1010-L1069 HydrophobicContact CE1-CD2 3.52Å; F1010-L1069 HydrophobicContact CE1-CG 3.73Å; F1010-L1069 HydrophobicContact CE2-CD2 3.92Å; F1010-L1069 HydrophobicContact CG-CD2 3.76Å; F1010-L1069 HydrophobicContact CZ-CD1 4.44Å; F1010-L1069 HydrophobicContact CZ-CD2 3.72Å; F1010-L1069 HydrophobicContact CZ-CG 4Å
1011	G	84.6	Confident	91.5	Very high	62 Å²	62	51.7 Å²	51.7	64%	0.639	27%	0.267	S	S	*	.	S	Bend	trans	-80.5	-23.4	178.1	0	0	0	0	0	114.6
1012	D	88.2	Confident	91.5	Very high	85 Å²	85	55.4 Å²	55.4	46%	0.455	28%	0.284	S	S	.	.	S	Bend	trans	-154.3	-172.3	-178.4	-165.6	6.7	0	0	0	109.4	P945 N946	P945-D1012 CarbonylContact O-C 3.02Å; N946-D1012 PolarHBondContact ND2-OD1 2.78Å
1013	K	91.4	Very high	91.6	Very high	114 Å²	114	55.3 Å²	55.3	50%	0.496	28%	0.283	S	S	.	.			trans	-55.8	142	175.8	69.1	-177.7	-178.5	179.9	0	111.3	P945 N946 G947 V949	P945-K1013 WeakPolarHBondContact O-CA 3.2Å; P945-K1013 PolarHBondContact O-N 3.36Å; P945-K1013 VanDerWaalsContact O-N 3.11Å; N946-K1013 HydrophobicContact CB-CB 3.95Å; G947-K1013 WeakPolarHBondContact O-CA 3.4Å; G947-K1013 WeakPolarHBondContact O-CB 3.08Å; V949-K1013 HydrophobicContact CG2-CD 4.1Å
1014	V	93.6	Very high	91.7	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.8	-179.5	177.8	0	0	0	0	110.1	T944 G947 V949 F1010 L1016 L1019	T944-V1014 HydrophobicContact CG2-CB 4.12Å; T944-V1014 HydrophobicContact CG2-CG2 3.56Å; G947-V1014 PolarHBondContact O-N 3.4Å; V949-V1014 PolarHBondContact N-O 2.85Å; F1010-V1014 HydrophobicContact CB-CG2 3.81Å; F1010-V1014 HydrophobicContact CD1-CG2 3.25Å; F1010-V1014 HydrophobicContact CD2-CG2 3.62Å; F1010-V1014 HydrophobicContact CE1-CG1 4.33Å; F1010-V1014 HydrophobicContact CE1-CG2 3.56Å; F1010-V1014 HydrophobicContact CE2-CG2 3.9Å; F1010-V1014 HydrophobicContact CG-CG2 3.27Å; F1010-V1014 HydrophobicContact CZ-CG1 4.42Å; F1010-V1014 HydrophobicContact CZ-CG2 3.86Å; V1014-L1016 HydrophobicContact CG1-CD2 4.07Å; V1014-L1019 HydrophobicContact CG1-CD1 3.67Å
1015	D	94.8	Very high	91.8	Very high	53 Å²	53	45.7 Å²	45.7	28%	0.283	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.1	171.6	177.8	1.6	0	0	0	110.1	D1017 S1018 L1019	D1015-D1017 VanDerWaalsContact C-N 3.32Å; D1015-D1017 PolarHBondContact O-N 3.25Å; D1015-D1017 WeakPolarHBondContact OD1-CB 3.46Å; D1015-D1017 PolarHBondContact OD1-N 3.06Å; D1015-S1018 PolarHBondContact O-N 3.4Å; D1015-S1018 PolarHBondContact OD1-N 3Å; D1015-S1018 WeakPolarHBondContact OD2-CB 3.44Å; D1015-S1018 PolarHBondContact OD2-OG 3.44Å; D1015-L1019 PolarHBondContact O-N 2.95Å
1016	L	95.9	Very high	91.7	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-31.5	-179.4	-58	-175.7	0	0	0	112.3	I948 V949 V950 I991 L994 L995 V1014 S1018 L1019 V1020	I948-L1016 HydrophobicContact CG2-CD1 3.69Å; I948-L1016 HydrophobicContact CG2-CD2 4.09Å; I948-L1016 HydrophobicContact CG2-CG 3.72Å; V949-L1016 PolarHBondContact O-N 3.35Å; V950-L1016 HydrophobicContact CB-CB 4.24Å; V950-L1016 HydrophobicContact CB-CD1 4.08Å; V950-L1016 HydrophobicContact CB-CG 4.44Å; V950-L1016 HydrophobicContact CG2-CB 4.36Å; V950-L1016 HydrophobicContact CG2-CD1 4.46Å; I991-L1016 HydrophobicContact CD1-CB 3.86Å; I991-L1016 HydrophobicContact CG2-CD1 3.86Å; L994-L1016 HydrophobicContact CD2-CB 4.09Å; L994-L1016 HydrophobicContact CD2-CD2 4.04Å; L994-L1016 HydrophobicContact CG-CD2 4.48Å; L995-L1016 HydrophobicContact CD1-CD1 4.17Å; L995-L1016 HydrophobicContact CD2-CD1 3.82Å; L995-L1016 HydrophobicContact CD2-CD2 4.26Å; L995-L1016 HydrophobicContact CG-CD1 3.91Å; V1014-L1016 HydrophobicContact CG1-CD2 4.07Å; L1016-S1018 VanDerWaalsContact C-N 3.32Å; L1016-S1018 PolarHBondContact O-N 2.81Å; L1016-L1019 HydrophobicContact CD2-CD1 4.44Å; L1016-L1019 PolarHBondContact O-N 3.3Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.31Å; L1016-V1020 PolarHBondContact O-N 3.05Å
1017	D	95.1	Very high	91.9	Very high	26 Å²	26	40.9 Å²	40.9	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-39.3	-179.9	-60.9	-63.1	0	0	0	110.5	G951 Y987 D1015 V1020 K1021	G951-D1017 PolarHBondContact N-OD2 3.04Å; Y987-D1017 WeakPolarHBondContact CE1-OD1 3.32Å; Y987-D1017 WeakPolarHBondContact OH-CA 3.39Å; Y987-D1017 PolarHBondContact OH-OD1 2.69Å; Y987-D1017 VanDerWaalsContact OH-OD1 3.07Å; D1015-D1017 VanDerWaalsContact C-N 3.32Å; D1015-D1017 PolarHBondContact O-N 3.25Å; D1015-D1017 WeakPolarHBondContact OD1-CB 3.46Å; D1015-D1017 PolarHBondContact OD1-N 3.06Å; D1017-V1020 PolarHBondContact O-N 3.05Å; D1017-K1021 VanDerWaalsContact O-CG 3.29Å; D1017-K1021 WeakPolarHBondContact O-CG 3.41Å; D1017-K1021 PolarHBondContact O-N 2.99Å
1018	S	94.2	Very high	92.1	Very high	49 Å²	49	38.3 Å²	38.3	34%	0.343	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-44.8	175.3	-71.3	0	0	0	0	111.8	D1015 L1016 V1020 K1021 E1022	D1015-S1018 PolarHBondContact O-N 3.4Å; D1015-S1018 PolarHBondContact OD1-N 3Å; D1015-S1018 WeakPolarHBondContact OD2-CB 3.44Å; D1015-S1018 PolarHBondContact OD2-OG 3.44Å; L1016-S1018 VanDerWaalsContact C-N 3.32Å; L1016-S1018 PolarHBondContact O-N 2.81Å; S1018-V1020 PolarHBondContact O-N 3.43Å; S1018-K1021 PolarHBondContact O-N 3.39Å; S1018-E1022 WeakPolarHBondContact O-CG 3.4Å; S1018-E1022 PolarHBondContact O-N 3.17Å
1019	L	95.7	Very high	92	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-42.7	175.5	-80.5	173.9	0	0	0	113.1	L994 V1014 D1015 L1016 E1022 A1023 A1064 V1065 Q1068	L994-L1019 HydrophobicContact CD1-CD1 4.47Å; L994-L1019 HydrophobicContact CD2-CB 3.83Å; L994-L1019 HydrophobicContact CD2-CD1 4.31Å; V1014-L1019 HydrophobicContact CG1-CD1 3.67Å; D1015-L1019 PolarHBondContact O-N 2.95Å; L1016-L1019 HydrophobicContact CD2-CD1 4.44Å; L1016-L1019 PolarHBondContact O-N 3.3Å; L1019-E1022 PolarHBondContact O-N 2.78Å; L1019-A1023 WeakPolarHBondContact O-CB 3.3Å; L1019-A1023 PolarHBondContact O-N 2.94Å; L1019-A1064 HydrophobicContact CD2-CB 3.95Å; L1019-V1065 HydrophobicContact CD1-CG2 4.18Å; L1019-V1065 HydrophobicContact CD2-CG2 4.38Å; L1019-Q1068 HydrophobicContact CD2-CB 4.31Å; L1019-Q1068 VanDerWaalsContact CG-OE1 3.24Å
1020	V	96.1	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.7	-40.1	176.8	176.8	0	0	0	0	111.2	Y987 I990 I991 L994 L1016 D1017 S1018 A1023 F1024 L1061	Y987-V1020 HydrophobicContact CE2-CB 4.27Å; Y987-V1020 HydrophobicContact CE2-CG1 3.65Å; I990-V1020 HydrophobicContact CG2-CG1 3.76Å; I990-V1020 HydrophobicContact CG2-CG2 3.84Å; I991-V1020 HydrophobicContact CD1-CG2 3.77Å; L994-V1020 HydrophobicContact CD2-CG2 3.73Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.31Å; L1016-V1020 PolarHBondContact O-N 3.05Å; D1017-V1020 PolarHBondContact O-N 3.05Å; S1018-V1020 PolarHBondContact O-N 3.43Å; V1020-A1023 PolarHBondContact O-N 3.26Å; V1020-F1024 WeakPolarHBondContact O-CB 3.44Å; V1020-F1024 PolarHBondContact O-N 3.01Å; V1020-L1061 HydrophobicContact CG2-CD2 4.33Å
1021	K	94.4	Very high	91.5	Very high	115 Å²	115	45.3 Å²	45.3	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-41.8	176	-73.2	169.2	-173.2	171.2	0	111.9	D1017 S1018 F1024 N1025	D1017-K1021 VanDerWaalsContact O-CG 3.29Å; D1017-K1021 WeakPolarHBondContact O-CG 3.41Å; D1017-K1021 PolarHBondContact O-N 2.99Å; S1018-K1021 PolarHBondContact O-N 3.39Å; K1021-F1024 PolarHBondContact O-N 2.92Å; K1021-N1025 WeakPolarHBondContact O-CB 3.31Å; K1021-N1025 PolarHBondContact O-N 2.72Å; K1021-N1025 PolarHBondContact O-ND2 2.95Å
1022	E	94	Very high	91.3	Very high	89 Å²	89	44.6 Å²	44.6	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-45.5	175.5	-73.4	-175.3	-178.6	0	0	112.2	S1018 L1019 F1024 N1025 D1026 A1064	S1018-E1022 WeakPolarHBondContact O-CG 3.4Å; S1018-E1022 PolarHBondContact O-N 3.17Å; L1019-E1022 PolarHBondContact O-N 2.78Å; E1022-F1024 VanDerWaalsContact C-N 3.32Å; E1022-F1024 PolarHBondContact O-N 3.38Å; E1022-N1025 PolarHBondContact O-N 3.3Å; E1022-D1026 PolarHBondContact O-N 3.41Å; E1022-A1064 HydrophobicContact CB-CB 4.15Å
1023	A	95	Very high	90.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-42	175.4	0	0	0	0	0	112	L1019 V1020 D1026 F1027 L1061 A1064	L1019-A1023 WeakPolarHBondContact O-CB 3.3Å; L1019-A1023 PolarHBondContact O-N 2.94Å; V1020-A1023 PolarHBondContact O-N 3.26Å; A1023-D1026 PolarHBondContact O-N 3.45Å; A1023-F1027 PolarHBondContact O-N 3.41Å; A1023-L1061 HydrophobicContact CB-CD2 3.78Å; A1023-L1061 HydrophobicContact CB-CG 4.4Å; A1023-A1064 HydrophobicContact CB-CB 4.34Å
1024	F	94.3	Very high	89.7	Confident	14 Å²	14	50.3 Å²	50.3	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-41	176	-179.1	-116.2	0	0	0	112.4	V1020 K1021 E1022 D1026 F1027 Q1028 M1043 F1046	V1020-F1024 WeakPolarHBondContact O-CB 3.44Å; V1020-F1024 PolarHBondContact O-N 3.01Å; K1021-F1024 PolarHBondContact O-N 2.92Å; E1022-F1024 VanDerWaalsContact C-N 3.32Å; E1022-F1024 PolarHBondContact O-N 3.38Å; F1024-D1026 VanDerWaalsContact C-N 3.28Å; F1024-D1026 PolarHBondContact O-N 3.33Å; F1024-F1027 HydrophobicContact CD2-CD1 4.25Å; F1024-F1027 HydrophobicContact CE2-CD1 4.3Å; F1024-F1027 WeakPolarHBondContact O-CB 3.34Å; F1024-F1027 PolarHBondContact O-N 2.98Å; F1024-Q1028 HydrophobicContact CD1-CG 4.4Å; F1024-Q1028 HydrophobicContact CE1-CG 4.06Å; F1024-Q1028 HydrophobicContact CE2-CG 4.17Å; F1024-Q1028 HydrophobicContact CZ-CG 3.94Å; F1024-Q1028 WeakPolarHBondContact O-CG 3.46Å; F1024-Q1028 PolarHBondContact O-N 3.31Å; F1024-M1043 HydrophobicContact CB-CE 4.02Å; F1024-M1043 HydrophobicContact CD1-CE 3.74Å; F1024-M1043 HydrophobicContact CD1-CG 4.07Å; F1024-M1043 HydrophobicContact CD2-CG 3.9Å; F1024-M1043 HydrophobicContact CE1-CE 4.34Å; F1024-M1043 HydrophobicContact CE1-CG 3.93Å; F1024-M1043 HydrophobicContact CE2-CB 4.2Å; F1024-M1043 HydrophobicContact CE2-CG 3.78Å; F1024-M1043 HydrophobicContact CG-CE 3.89Å; F1024-M1043 HydrophobicContact CG-CG 4.04Å; F1024-M1043 HydrophobicContact CG-SD 4.41Å; F1024-M1043 HydrophobicContact CZ-CB 4.42Å; F1024-M1043 HydrophobicContact CZ-CG 3.78Å; F1024-F1046 HydrophobicContact CD2-CB 3.75Å; F1024-F1046 HydrophobicContact CD2-CD1 4.24Å; F1024-F1046 HydrophobicContact CD2-CD2 4.29Å; F1024-F1046 AromaticContact CD2-CG 3.85Å; F1024-F1046 HydrophobicContact CD2-CG 3.85Å; F1024-F1046 HydrophobicContact CE2-CB 3.85Å; F1024-F1046 HydrophobicContact CE2-CG 4.46Å
1025	N	91.9	Very high	88.4	Confident	71 Å²	71	54.8 Å²	54.8	38%	0.38	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-35.1	175.6	-73.7	-29.8	0	0	0	112.4	K1021 E1022 R1029	K1021-N1025 WeakPolarHBondContact O-CB 3.31Å; K1021-N1025 PolarHBondContact O-N 2.72Å; K1021-N1025 PolarHBondContact O-ND2 2.95Å; E1022-N1025 PolarHBondContact O-N 3.3Å; N1025-R1029 WeakPolarHBondContact O-CG 3.36Å; N1025-R1029 PolarHBondContact O-N 3.12Å; N1025-R1029 VanDerWaalsContact O-N 3.17Å; N1025-R1029 PolarHBondContact O-NE 2.81Å; N1025-R1029 VanDerWaalsContact O-NE 3.17Å
1026	D	89.9	Confident	86.8	Confident	14 Å²	14	55.5 Å²	55.5	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-71.1	-41.9	173.3	-89.8	5.4	0	0	0	111.9	E1022 A1023 F1024 Q1028 R1029 D1030 Y1060 K1063	E1022-D1026 PolarHBondContact O-N 3.41Å; A1023-D1026 PolarHBondContact O-N 3.45Å; F1024-D1026 VanDerWaalsContact C-N 3.28Å; F1024-D1026 PolarHBondContact O-N 3.33Å; D1026-Q1028 PolarHBondContact O-N 3.11Å; D1026-R1029 WeakPolarHBondContact O-CB 3.27Å; D1026-R1029 PolarHBondContact O-N 2.72Å; D1026-R1029 IonicContact OD1-CZ 2.84Å; D1026-R1029 IonicContact OD1-NE 3.18Å; D1026-R1029 PolarHBondContact OD1-NE 3.31Å; D1026-R1029 IonicContact OD1-NH1 2.72Å; D1026-R1029 PolarHBondContact OD1-NH1 3.11Å; D1026-R1029 IonicContact OD1-NH2 3.31Å; D1026-R1029 PolarHBondContact OD1-NH2 2.91Å; D1026-D1030 PolarHBondContact O-N 3.3Å; D1026-Y1060 HydrophobicContact CB-CD1 3.98Å; D1026-K1063 WeakPolarHBondContact OD2-CD 3.28Å; D1026-K1063 VanDerWaalsContact OD2-CE 3.31Å; D1026-K1063 WeakPolarHBondContact OD2-CE 3.34Å; D1026-K1063 IonicContact OD2-NZ 3.95Å; D1026-K1063 PolarHBondContact OD2-NZ 2.83Å
1027	F	90.9	Very high	85.2	Confident	18 Å²	18	59.6 Å²	59.6	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-46.2	173.6	172.7	-99	0	0	0	112.1	A1023 F1024 R1029 D1030 R1031 V1045 F1046 T1049 Y1060	A1023-F1027 PolarHBondContact O-N 3.41Å; F1024-F1027 HydrophobicContact CD2-CD1 4.25Å; F1024-F1027 HydrophobicContact CE2-CD1 4.3Å; F1024-F1027 WeakPolarHBondContact O-CB 3.34Å; F1024-F1027 PolarHBondContact O-N 2.98Å; F1027-R1029 VanDerWaalsContact C-N 3.34Å; F1027-R1029 PolarHBondContact O-N 3.14Å; F1027-D1030 PolarHBondContact O-N 3.42Å; F1027-R1031 PolarHBondContact O-N 3.1Å; F1027-V1045 HydrophobicContact CZ-CG1 4.29Å; F1027-F1046 HydrophobicContact CB-CD2 3.86Å; F1027-F1046 HydrophobicContact CB-CE2 3.96Å; F1027-F1046 HydrophobicContact CD1-CB 4.14Å; F1027-F1046 AromaticContact CD1-CD2 3.73Å; F1027-F1046 HydrophobicContact CD1-CD2 3.73Å; F1027-F1046 HydrophobicContact CD1-CG 4.37Å; F1027-F1046 AromaticContact CD2-CD2 3.83Å; F1027-F1046 HydrophobicContact CD2-CD2 3.83Å; F1027-F1046 HydrophobicContact CD2-CE2 4.29Å; F1027-F1046 HydrophobicContact CE1-CB 4.04Å; F1027-F1046 HydrophobicContact CE1-CD2 4.19Å; F1027-F1046 HydrophobicContact CE2-CD2 4.27Å; F1027-F1046 AromaticContact CG-CD2 3.53Å; F1027-F1046 HydrophobicContact CG-CD2 3.53Å; F1027-F1046 HydrophobicContact CG-CE2 4.07Å; F1027-F1046 HydrophobicContact CZ-CD2 4.44Å; F1027-T1049 HydrophobicContact CE2-CG2 4.31Å; F1027-Y1060 HydrophobicContact CB-CD1 4.29Å; F1027-Y1060 HydrophobicContact CB-CD2 4.23Å; F1027-Y1060 HydrophobicContact CB-CE1 4.35Å; F1027-Y1060 HydrophobicContact CB-CE2 4.29Å; F1027-Y1060 HydrophobicContact CB-CG 4.25Å; F1027-Y1060 HydrophobicContact CD2-CD2 4.07Å; F1027-Y1060 AromaticContact CD2-CE2 3.63Å; F1027-Y1060 HydrophobicContact CD2-CE2 3.63Å; F1027-Y1060 HydrophobicContact CG-CE2 4.46Å
1028	Q	88.8	Confident	83.6	Confident	18 Å²	18	66.9 Å²	66.9	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-43.1	175.4	-74.4	-174	-22	0	0	111.9	F1024 D1026 D1030 R1031 S1032 Q1040	F1024-Q1028 HydrophobicContact CD1-CG 4.4Å; F1024-Q1028 HydrophobicContact CE1-CG 4.06Å; F1024-Q1028 HydrophobicContact CE2-CG 4.17Å; F1024-Q1028 HydrophobicContact CZ-CG 3.94Å; F1024-Q1028 WeakPolarHBondContact O-CG 3.46Å; F1024-Q1028 PolarHBondContact O-N 3.31Å; D1026-Q1028 PolarHBondContact O-N 3.11Å; Q1028-D1030 VanDerWaalsContact C-N 3.32Å; Q1028-D1030 PolarHBondContact O-N 2.78Å; Q1028-R1031 PolarHBondContact O-N 3.32Å; Q1028-S1032 PolarHBondContact O-N 3.41Å; Q1028-S1032 PolarHBondContact O-OG 2.92Å; Q1028-Q1040 PolarHBondContact NE2-O 2.82Å
1029	R	86.3	Confident	82.3	Confident	126 Å²	126	71.5 Å²	71.5	48%	0.475	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-41.8	177.8	-83.8	-179	-93.3	178.1	-7.8	112	N1025 D1026 F1027 R1033	N1025-R1029 WeakPolarHBondContact O-CG 3.36Å; N1025-R1029 PolarHBondContact O-N 3.12Å; N1025-R1029 VanDerWaalsContact O-N 3.17Å; N1025-R1029 PolarHBondContact O-NE 2.81Å; N1025-R1029 VanDerWaalsContact O-NE 3.17Å; D1026-R1029 WeakPolarHBondContact O-CB 3.27Å; D1026-R1029 PolarHBondContact O-N 2.72Å; D1026-R1029 IonicContact OD1-CZ 2.84Å; D1026-R1029 IonicContact OD1-NE 3.18Å; D1026-R1029 PolarHBondContact OD1-NE 3.31Å; D1026-R1029 IonicContact OD1-NH1 2.72Å; D1026-R1029 PolarHBondContact OD1-NH1 3.11Å; D1026-R1029 IonicContact OD1-NH2 3.31Å; D1026-R1029 PolarHBondContact OD1-NH2 2.91Å; F1027-R1029 VanDerWaalsContact C-N 3.34Å; F1027-R1029 PolarHBondContact O-N 3.14Å; R1029-R1033 WeakPolarHBondContact O-CB 3.34Å; R1029-R1033 VanDerWaalsContact O-CG 3.27Å; R1029-R1033 WeakPolarHBondContact O-CG 3.33Å; R1029-R1033 PolarHBondContact O-N 3.23Å
1030	D	85.9	Confident	80.9	Confident	44 Å²	44	75.9 Å²	75.9	24%	0.235	37%	0.365	C	S	.	.	H	α-helix	trans	-67.2	-44.6	175.7	-83.2	-3.5	0	0	0	111.6	D1026 F1027 Q1028 S1032 R1033 F1034 Y1060	D1026-D1030 PolarHBondContact O-N 3.3Å; F1027-D1030 PolarHBondContact O-N 3.42Å; Q1028-D1030 VanDerWaalsContact C-N 3.32Å; Q1028-D1030 PolarHBondContact O-N 2.78Å; D1030-S1032 PolarHBondContact O-N 3.48Å; D1030-R1033 PolarHBondContact O-N 2.82Å; D1030-R1033 VanDerWaalsContact O-N 3.1Å; D1030-F1034 HydrophobicContact CB-CD2 4.28Å; D1030-F1034 WeakPolarHBondContact O-CD2 3.48Å; D1030-F1034 PolarHBondContact O-N 2.94Å; D1030-Y1060 HydrophobicContact CB-CE1 4.41Å; D1030-Y1060 WeakPolarHBondContact CB-OH 3.42Å; D1030-Y1060 VanDerWaalsContact OD2-CE1 3.24Å; D1030-Y1060 WeakPolarHBondContact OD2-CE1 3.4Å; D1030-Y1060 PolarHBondContact OD2-OH 2.8Å
1031	R	81.1	Confident	79.6	Confident	45 Å²	45	83.7 Å²	83.7	17%	0.17	41%	0.406	C	S	.	.	H	α-helix	trans	-63.4	-40.9	-179.9	-159.6	-177.3	175.6	-167.8	0.3	112.4	F1027 Q1028 R1033 D1035 G1036 M1037	F1027-R1031 PolarHBondContact O-N 3.1Å; Q1028-R1031 PolarHBondContact O-N 3.32Å; R1031-R1033 VanDerWaalsContact C-N 3.3Å; R1031-R1033 PolarHBondContact O-N 2.73Å; R1031-D1035 HydrophobicContact CG-CB 4.18Å; R1031-D1035 WeakPolarHBondContact O-CA 3.45Å; R1031-D1035 WeakPolarHBondContact O-CB 3.48Å; R1031-D1035 PolarHBondContact O-N 2.89Å; R1031-G1036 PolarHBondContact O-N 2.84Å; R1031-M1037 PolarHBondContact NE-SD 3.5Å; R1031-M1037 VanDerWaalsContact NE-SD 3.38Å; R1031-M1037 PolarHBondContact NH2-SD 3.35Å
1032	S	80.8	Confident	79	Confident	47 Å²	47	82.7 Å²	82.7	33%	0.329	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-31.8	173.9	-61.6	0	0	0	0	112.7	Q1028 D1030 M1037	Q1028-S1032 PolarHBondContact O-N 3.41Å; Q1028-S1032 PolarHBondContact O-OG 2.92Å; D1030-S1032 PolarHBondContact O-N 3.48Å; S1032-M1037 WeakPolarHBondContact CA-O 3.17Å; S1032-M1037 PolarHBondContact OG-O 3.23Å
1033	R	78.1	Confident	78.8	Confident	197 Å²	197	79.9 Å²	79.9	74%	0.743	39%	0.394	S	S	*	.	H	α-helix	trans	-75.9	-37	177.7	-78.3	176.3	177.1	-169	-1.2	113.7	R1029 D1030 R1031	R1029-R1033 WeakPolarHBondContact O-CB 3.34Å; R1029-R1033 VanDerWaalsContact O-CG 3.27Å; R1029-R1033 WeakPolarHBondContact O-CG 3.33Å; R1029-R1033 PolarHBondContact O-N 3.23Å; D1030-R1033 PolarHBondContact O-N 2.82Å; D1030-R1033 VanDerWaalsContact O-N 3.1Å; R1031-R1033 VanDerWaalsContact C-N 3.3Å; R1031-R1033 PolarHBondContact O-N 2.73Å
1034	F	66.3	Low	78.6	Confident	122 Å²	122	84.9 Å²	84.9	54%	0.535	42%	0.417	S	S	.	.	H	α-helix	trans	-104.4	-31.1	-170.9	-68.3	-71	0	0	0	114.2	D1030	D1030-F1034 HydrophobicContact CB-CD2 4.28Å; D1030-F1034 WeakPolarHBondContact O-CD2 3.48Å; D1030-F1034 PolarHBondContact O-N 2.94Å
1035	D	67	Low	78.3	Confident	98 Å²	98	86.6 Å²	86.6	52%	0.524	43%	0.429	S	S	.	.	S	Bend	trans	-114	-1.6	-173.4	-55.4	-27.5	0	0	0	112.8	R1031 M1037	R1031-D1035 HydrophobicContact CG-CB 4.18Å; R1031-D1035 WeakPolarHBondContact O-CA 3.45Å; R1031-D1035 WeakPolarHBondContact O-CB 3.48Å; R1031-D1035 PolarHBondContact O-N 2.89Å; D1035-M1037 HydrophobicContact CB-CG 4.36Å; D1035-M1037 PolarHBondContact O-N 2.94Å
1036	G	60.7	Low	78.4	Confident	69 Å²	69	83.3 Å²	83.3	71%	0.711	41%	0.411	S	S	*	.			trans	66.7	16.6	176.2	0	0	0	0	0	115.1	R1031	R1031-G1036 PolarHBondContact O-N 2.84Å
1037	M	63	Low	78.5	Confident	88 Å²	88	83.4 Å²	83.4	43%	0.433	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-90.5	139.5	-177	-63.3	-176.4	111.1	0	0	112.2	R1031 S1032 D1035	R1031-M1037 PolarHBondContact NE-SD 3.5Å; R1031-M1037 VanDerWaalsContact NE-SD 3.38Å; R1031-M1037 PolarHBondContact NH2-SD 3.35Å; S1032-M1037 WeakPolarHBondContact CA-O 3.17Å; S1032-M1037 PolarHBondContact OG-O 3.23Å; D1035-M1037 HydrophobicContact CB-CG 4.36Å; D1035-M1037 PolarHBondContact O-N 2.94Å
1038	E	60.8	Low	78.6	Confident	179 Å²	179	86 Å²	86	84%	0.836	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-64.9	155.3	175	-68.7	-172.8	165.4	0	0	111.9	Q1040	E1038-Q1040 PolarHBondContact O-N 3.35Å
1039	K	66.8	Low	78.8	Confident	146 Å²	146	86.1 Å²	86.1	64%	0.635	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-63.1	128.8	175.9	-69.5	-173.6	177.4	-174.4	0	109.6
1040	Q	66.1	Low	79	Confident	94 Å²	94	82.9 Å²	82.9	44%	0.439	42%	0.422	S	S	.	.			trans	-111.2	131.7	175.1	-67.7	179.7	-33.5	0	0	109.1	Q1028 E1038 D1042	Q1028-Q1040 PolarHBondContact NE2-O 2.82Å; E1038-Q1040 PolarHBondContact O-N 3.35Å; Q1040-D1042 PolarHBondContact O-N 3.11Å
1041	D	69.2	Low	79.1	Confident	163 Å²	163	81.7 Å²	81.7	87%	0.872	42%	0.417	S	S	*	.	S	Bend	trans	-70	-19.2	178.5	-72.5	-21.4	0	0	0	112.9
1042	D	81.9	Confident	79.3	Confident	95 Å²	95	86.6 Å²	86.6	51%	0.508	45%	0.446	S	S	.	.			trans	-82.8	135.4	177	-170.2	-7.5	0	0	0	112.3	Q1040 E1044	Q1040-D1042 PolarHBondContact O-N 3.11Å; D1042-E1044 PolarHBondContact OD1-N 2.77Å
1043	M	90.3	Very high	79.4	Confident	30 Å²	30	86.6 Å²	86.6	15%	0.148	45%	0.453	C	S	.	.			trans	-85.9	1.3	177.6	-68	-171.4	-179.1	0	0	113.8	Y987 F1024 V1045 F1046 Y1047	Y987-M1043 HydrophobicContact CE2-SD 4.41Å; F1024-M1043 HydrophobicContact CB-CE 4.02Å; F1024-M1043 HydrophobicContact CD1-CE 3.74Å; F1024-M1043 HydrophobicContact CD1-CG 4.07Å; F1024-M1043 HydrophobicContact CD2-CG 3.9Å; F1024-M1043 HydrophobicContact CE1-CE 4.34Å; F1024-M1043 HydrophobicContact CE1-CG 3.93Å; F1024-M1043 HydrophobicContact CE2-CB 4.2Å; F1024-M1043 HydrophobicContact CE2-CG 3.78Å; F1024-M1043 HydrophobicContact CG-CE 3.89Å; F1024-M1043 HydrophobicContact CG-CG 4.04Å; F1024-M1043 HydrophobicContact CG-SD 4.41Å; F1024-M1043 HydrophobicContact CZ-CB 4.42Å; F1024-M1043 HydrophobicContact CZ-CG 3.78Å; M1043-V1045 VanDerWaalsContact C-N 3.3Å; M1043-V1045 PolarHBondContact O-N 2.85Å; M1043-V1045 VanDerWaalsContact O-N 3.14Å; M1043-F1046 CarbonylContact O-C 3.44Å; M1043-F1046 WeakPolarHBondContact O-CA 3.47Å; M1043-F1046 VanDerWaalsContact O-CB 3.28Å; M1043-F1046 WeakPolarHBondContact O-CB 3.26Å; M1043-F1046 PolarHBondContact O-N 3.49Å; M1043-Y1047 HydrophobicContact CB-CD1 4.3Å; M1043-Y1047 HydrophobicContact CB-CD2 4.11Å; M1043-Y1047 HydrophobicContact CB-CE1 3.73Å; M1043-Y1047 HydrophobicContact CB-CE2 3.55Å; M1043-Y1047 HydrophobicContact CB-CG 4.47Å; M1043-Y1047 WeakPolarHBondContact CB-OH 3.5Å; M1043-Y1047 WeakPolarHBondContact O-CD2 3.47Å; M1043-Y1047 PolarHBondContact O-N 3.27Å; M1043-Y1047 HydrophobicContact SD-CE1 4.09Å; M1043-Y1047 PolarHBondContact SD-OH 2.78Å; M1043-Y1047 VanDerWaalsContact SD-OH 3.34Å
1044	E	89.7	Confident	79.3	Confident	105 Å²	105	87.1 Å²	87.1	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-48.3	-46.2	-176	-169.5	-178.3	-179.9	0	0	113.7	L917 D1042 F1046 Y1047 N1048	L917-E1044 HydrophobicContact CD2-CG 3.79Å; D1042-E1044 PolarHBondContact OD1-N 2.77Å; E1044-F1046 VanDerWaalsContact C-N 3.35Å; E1044-F1046 PolarHBondContact O-N 3.09Å; E1044-Y1047 CarbonylContact O-C 3.54Å; E1044-Y1047 WeakPolarHBondContact O-CB 3.33Å; E1044-Y1047 PolarHBondContact O-N 3.11Å; E1044-N1048 PolarHBondContact O-N 2.98Å
1045	V	89.8	Confident	80.2	Confident	50 Å²	50	86.5 Å²	86.5	30%	0.303	46%	0.455	S	S	.	.	H	α-helix	trans	-68.5	-35.4	179.1	-176.6	0	0	0	0	111.9	F1027 M1043 N1048 T1049	F1027-V1045 HydrophobicContact CZ-CG1 4.29Å; M1043-V1045 VanDerWaalsContact C-N 3.3Å; M1043-V1045 PolarHBondContact O-N 2.85Å; M1043-V1045 VanDerWaalsContact O-N 3.14Å; V1045-N1048 CarbonylContact O-C 3.44Å; V1045-N1048 PolarHBondContact O-N 3.48Å; V1045-T1049 PolarHBondContact O-N 2.98Å; V1045-T1049 VanDerWaalsContact O-N 3.11Å; V1045-T1049 PolarHBondContact O-OG1 3.41Å
1046	F	92.5	Very high	81.3	Confident	1 Å²	1	82 Å²	82	0%	0.004	43%	0.432	C	S	.	.	H	α-helix	trans	-64.9	-42.5	173.6	-176.3	-109.9	0	0	0	110.6	R920 I990 F1024 F1027 M1043 E1044 N1048 T1049 T1057 Y1060	R920-F1046 PolarHBondContact NH1-O 3.42Å; I990-F1046 HydrophobicContact CD1-CE1 4.29Å; I990-F1046 HydrophobicContact CG2-CE1 4.41Å; F1024-F1046 HydrophobicContact CD2-CB 3.75Å; F1024-F1046 HydrophobicContact CD2-CD1 4.24Å; F1024-F1046 HydrophobicContact CD2-CD2 4.29Å; F1024-F1046 AromaticContact CD2-CG 3.85Å; F1024-F1046 HydrophobicContact CD2-CG 3.85Å; F1024-F1046 HydrophobicContact CE2-CB 3.85Å; F1024-F1046 HydrophobicContact CE2-CG 4.46Å; F1027-F1046 HydrophobicContact CB-CD2 3.86Å; F1027-F1046 HydrophobicContact CB-CE2 3.96Å; F1027-F1046 HydrophobicContact CD1-CB 4.14Å; F1027-F1046 AromaticContact CD1-CD2 3.73Å; F1027-F1046 HydrophobicContact CD1-CD2 3.73Å; F1027-F1046 HydrophobicContact CD1-CG 4.37Å; F1027-F1046 AromaticContact CD2-CD2 3.83Å; F1027-F1046 HydrophobicContact CD2-CD2 3.83Å; F1027-F1046 HydrophobicContact CD2-CE2 4.29Å; F1027-F1046 HydrophobicContact CE1-CB 4.04Å; F1027-F1046 HydrophobicContact CE1-CD2 4.19Å; F1027-F1046 HydrophobicContact CE2-CD2 4.27Å; F1027-F1046 AromaticContact CG-CD2 3.53Å; F1027-F1046 HydrophobicContact CG-CD2 3.53Å; F1027-F1046 HydrophobicContact CG-CE2 4.07Å; F1027-F1046 HydrophobicContact CZ-CD2 4.44Å; M1043-F1046 CarbonylContact O-C 3.44Å; M1043-F1046 WeakPolarHBondContact O-CA 3.47Å; M1043-F1046 VanDerWaalsContact O-CB 3.28Å; M1043-F1046 WeakPolarHBondContact O-CB 3.26Å; M1043-F1046 PolarHBondContact O-N 3.49Å; E1044-F1046 VanDerWaalsContact C-N 3.35Å; E1044-F1046 PolarHBondContact O-N 3.09Å; F1046-N1048 VanDerWaalsContact C-N 3.25Å; F1046-N1048 PolarHBondContact O-N 2.95Å; F1046-T1049 WeakPolarHBondContact O-CB 3.28Å; F1046-T1049 PolarHBondContact O-N 3.45Å; F1046-T1049 VanDerWaalsContact O-N 3.07Å; F1046-T1057 HydrophobicContact CD2-CG2 4.1Å; F1046-T1057 HydrophobicContact CE1-CG2 4.36Å; F1046-T1057 HydrophobicContact CE2-CG2 3.82Å; F1046-T1057 HydrophobicContact CG-CG2 4.5Å; F1046-T1057 HydrophobicContact CZ-CG2 3.97Å; F1046-T1057 WeakPolarHBondContact O-CG2 3.32Å; F1046-Y1060 HydrophobicContact CE2-CD2 4.44Å
1047	Y	93.6	Very high	82.8	Confident	17 Å²	17	78.7 Å²	78.7	7%	0.067	40%	0.398	C	S	.	.	H	α-helix	trans	-64.7	-27	173.4	-57.6	-32.3	0	0	0	113.3	W916 L917 R920 E986 Y987 I990 M1043 E1044 T1049	W916-Y1047 CarbonylContact C-O 3.49Å; L917-Y1047 HydrophobicContact CD1-CD2 4.32Å; L917-Y1047 HydrophobicContact CD1-CG 4.47Å; L917-Y1047 PolarHBondContact N-O 2.78Å; R920-Y1047 WeakPolarHBondContact CD-O 3.42Å; R920-Y1047 PolarHBondContact NH1-O 3.23Å; E986-Y1047 HydrophobicContact CB-CD2 4.25Å; E986-Y1047 HydrophobicContact CB-CG 4.25Å; E986-Y1047 HydrophobicContact CG-CD2 3.55Å; E986-Y1047 HydrophobicContact CG-CE2 3.71Å; E986-Y1047 HydrophobicContact CG-CG 4.06Å; Y987-Y1047 HydrophobicContact CD2-CE1 4.22Å; Y987-Y1047 WeakPolarHBondContact CD2-OH 2.95Å; I990-Y1047 HydrophobicContact CD1-CD1 4.31Å; I990-Y1047 HydrophobicContact CG1-CD1 3.76Å; I990-Y1047 HydrophobicContact CG1-CE1 3.91Å; M1043-Y1047 HydrophobicContact CB-CD1 4.3Å; M1043-Y1047 HydrophobicContact CB-CD2 4.11Å; M1043-Y1047 HydrophobicContact CB-CE1 3.73Å; M1043-Y1047 HydrophobicContact CB-CE2 3.55Å; M1043-Y1047 HydrophobicContact CB-CG 4.47Å; M1043-Y1047 WeakPolarHBondContact CB-OH 3.5Å; M1043-Y1047 WeakPolarHBondContact O-CD2 3.47Å; M1043-Y1047 PolarHBondContact O-N 3.27Å; M1043-Y1047 HydrophobicContact SD-CE1 4.09Å; M1043-Y1047 PolarHBondContact SD-OH 2.78Å; M1043-Y1047 VanDerWaalsContact SD-OH 3.34Å; E1044-Y1047 CarbonylContact O-C 3.54Å; E1044-Y1047 WeakPolarHBondContact O-CB 3.33Å; E1044-Y1047 PolarHBondContact O-N 3.11Å; Y1047-T1049 VanDerWaalsContact C-N 3.34Å
1048	N	92.7	Very high	84.3	Confident	71 Å²	71	75.7 Å²	75.7	38%	0.38	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.8	174.5	-157.6	28.1	0	0	0	114	S915 W916 L917 E1044 V1045 F1046	S915-N1048 WeakPolarHBondContact CB-OD1 3.47Å; W916-N1048 PolarHBondContact N-OD1 3.29Å; L917-N1048 HydrophobicContact CB-CB 4.01Å; L917-N1048 PolarHBondContact N-OD1 3.06Å; E1044-N1048 PolarHBondContact O-N 2.98Å; V1045-N1048 CarbonylContact O-C 3.44Å; V1045-N1048 PolarHBondContact O-N 3.48Å; F1046-N1048 VanDerWaalsContact C-N 3.25Å; F1046-N1048 PolarHBondContact O-N 2.95Å
1049	T	92.1	Very high	85.8	Confident	21 Å²	21	69.7 Å²	69.7	13%	0.129	36%	0.363	C	S	.	.	S	Bend	trans	-81.1	134.2	178.9	-61.5	0	0	0	0	110.6	R920 F1027 V1045 F1046 Y1047 T1057	R920-T1049 PolarHBondContact NH1-O 3.45Å; F1027-T1049 HydrophobicContact CE2-CG2 4.31Å; V1045-T1049 PolarHBondContact O-N 2.98Å; V1045-T1049 VanDerWaalsContact O-N 3.11Å; V1045-T1049 PolarHBondContact O-OG1 3.41Å; F1046-T1049 WeakPolarHBondContact O-CB 3.28Å; F1046-T1049 PolarHBondContact O-N 3.45Å; F1046-T1049 VanDerWaalsContact O-N 3.07Å; Y1047-T1049 VanDerWaalsContact C-N 3.34Å; T1049-T1057 HydrophobicContact CG2-CG2 4.19Å
1050	P	91.2	Very high	87.2	Confident	58 Å²	58	63.3 Å²	63.3	38%	0.377	34%	0.335	S	S	.	.			trans	-56.9	147.8	175.4	-21.2	29.1	0	0	0	113.1	W916 G1056 T1057	W916-P1050 HydrophobicContact CZ2-CB 4.37Å; P1050-G1056 CarbonylContact O-C 3.54Å; P1050-G1056 WeakPolarHBondContact O-CA 3.34Å; P1050-T1057 PolarHBondContact O-N 3.49Å
1051	P	88.1	Confident	88.6	Confident	20 Å²	20	58.9 Å²	58.9	13%	0.13	31%	0.314	C	S	.	.	S	Bend	trans	-68.8	-44.3	177.7	24.7	-31.2	0	0	0	112.9	W916 G1056 T1057 S1058	W916-P1051 HydrophobicContact CE3-CG 4.3Å; W916-P1051 HydrophobicContact CH2-CG 3.58Å; W916-P1051 VanDerWaalsContact CZ2-CD 3.46Å; W916-P1051 HydrophobicContact CZ2-CG 4.11Å; W916-P1051 VanDerWaalsContact CZ3-CD 3.45Å; W916-P1051 HydrophobicContact CZ3-CG 3.69Å; P1051-G1056 CarbonylContact O-C 3.55Å; P1051-G1056 WeakPolarHBondContact O-CA 3.18Å; P1051-T1057 WeakPolarHBondContact CA-OG1 3.27Å; P1051-T1057 PolarHBondContact O-N 3.35Å; P1051-S1058 VanDerWaalsContact O-CB 3.25Å; P1051-S1058 WeakPolarHBondContact O-CB 3.2Å; P1051-S1058 PolarHBondContact O-N 3.22Å; P1051-S1058 VanDerWaalsContact O-N 3.1Å; P1051-S1058 PolarHBondContact O-OG 3.46Å
1052	L	85.6	Confident	89.8	Confident	147 Å²	147	53.5 Å²	53.5	77%	0.77	29%	0.288	S	S	*	.	S	Bend	trans	-88.8	143.2	-178	-61	174.6	0	0	0	111.8
1053	G	83.1	Confident	90.4	Very high	47 Å²	47	54 Å²	54	49%	0.485	29%	0.285	S	S	.	.	S	Bend	trans	129.2	166.5	174.7	0	0	0	0	0	113.3	R1055 G1056 S1059	G1053-R1055 PolarHBondContact O-N 3.46Å; G1053-R1055 VanDerWaalsContact O-N 3.11Å; G1053-G1056 PolarHBondContact O-N 3.08Å; G1053-S1059 PolarHBondContact O-OG 3.4Å
1054	K	76.1	Confident	90.6	Very high	208 Å²	208	52.7 Å²	52.7	90%	0.904	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.1	-178.1	-73.2	-173.6	178.3	-178.9	0	113.8
1055	R	83.6	Confident	90.8	Very high	110 Å²	110	47.7 Å²	47.7	42%	0.415	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	28.9	173.7	-60.6	-174.8	-175.4	172.5	1.6	111.9	G1053 Y1060	G1053-R1055 PolarHBondContact O-N 3.46Å; G1053-R1055 VanDerWaalsContact O-N 3.11Å; R1055-Y1060 HydrophobicContact CB-CE2 4.32Å
1056	G	90.5	Very high	90.8	Very high	3 Å²	3	48 Å²	48	3%	0.031	26%	0.255	C	S	.	.	S	Bend	trans	-78	160.7	174.3	0	0	0	0	0	111.8	P1050 P1051 G1053 S1058 S1059 Y1060	P1050-G1056 CarbonylContact O-C 3.54Å; P1050-G1056 WeakPolarHBondContact O-CA 3.34Å; P1051-G1056 CarbonylContact O-C 3.55Å; P1051-G1056 WeakPolarHBondContact O-CA 3.18Å; G1053-G1056 PolarHBondContact O-N 3.08Å; G1056-S1058 VanDerWaalsContact C-N 3.26Å; G1056-S1058 PolarHBondContact O-N 3.09Å; G1056-S1059 WeakPolarHBondContact O-CB 3.4Å; G1056-S1059 PolarHBondContact O-N 3.05Å; G1056-S1059 VanDerWaalsContact O-N 3.1Å; G1056-Y1060 VanDerWaalsContact O-CD2 3.28Å; G1056-Y1060 WeakPolarHBondContact O-CD2 3.22Å
1057	T	93.1	Very high	90.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-37.9	-178.2	58	0	0	0	0	112.2	R920 E993 F1046 T1049 P1050 P1051 S1059 Y1060 L1061	R920-T1057 PolarHBondContact NH2-OG1 3.08Å; E993-T1057 PolarHBondContact OE2-OG1 2.79Å; F1046-T1057 HydrophobicContact CD2-CG2 4.1Å; F1046-T1057 HydrophobicContact CE1-CG2 4.36Å; F1046-T1057 HydrophobicContact CE2-CG2 3.82Å; F1046-T1057 HydrophobicContact CG-CG2 4.5Å; F1046-T1057 HydrophobicContact CZ-CG2 3.97Å; F1046-T1057 WeakPolarHBondContact O-CG2 3.32Å; T1049-T1057 HydrophobicContact CG2-CG2 4.19Å; P1050-T1057 PolarHBondContact O-N 3.49Å; P1051-T1057 WeakPolarHBondContact CA-OG1 3.27Å; P1051-T1057 PolarHBondContact O-N 3.35Å; T1057-S1059 VanDerWaalsContact C-N 3.26Å; T1057-S1059 PolarHBondContact O-N 3.43Å; T1057-Y1060 PolarHBondContact O-N 2.91Å; T1057-L1061 WeakPolarHBondContact O-CG 3.41Å; T1057-L1061 PolarHBondContact O-N 2.97Å
1058	S	93.4	Very high	90.5	Very high	25 Å²	25	53.2 Å²	53.2	18%	0.175	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-30.5	179.5	-54.6	0	0	0	0	113.2	P1051 G1056 T1062	P1051-S1058 VanDerWaalsContact O-CB 3.25Å; P1051-S1058 WeakPolarHBondContact O-CB 3.2Å; P1051-S1058 PolarHBondContact O-N 3.22Å; P1051-S1058 VanDerWaalsContact O-N 3.1Å; P1051-S1058 PolarHBondContact O-OG 3.46Å; G1056-S1058 VanDerWaalsContact C-N 3.26Å; G1056-S1058 PolarHBondContact O-N 3.09Å; S1058-T1062 VanDerWaalsContact O-CB 3.29Å; S1058-T1062 WeakPolarHBondContact O-CB 3.49Å; S1058-T1062 PolarHBondContact O-N 2.96Å; S1058-T1062 PolarHBondContact O-OG1 3.36Å
1059	S	93.4	Very high	90.3	Very high	52 Å²	52	50 Å²	50	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-42.3	177.1	-64.4	0	0	0	0	111.5	G1053 G1056 T1057 K1063	G1053-S1059 PolarHBondContact O-OG 3.4Å; G1056-S1059 WeakPolarHBondContact O-CB 3.4Å; G1056-S1059 PolarHBondContact O-N 3.05Å; G1056-S1059 VanDerWaalsContact O-N 3.1Å; T1057-S1059 VanDerWaalsContact C-N 3.26Å; T1057-S1059 PolarHBondContact O-N 3.43Å; S1059-K1063 PolarHBondContact O-N 3.13Å; S1059-K1063 VanDerWaalsContact O-N 3.11Å
1060	Y	95.3	Very high	89.9	Confident	13 Å²	13	54.4 Å²	54.4	5%	0.051	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-42.6	175.9	-65.1	-71.5	0	0	0	111.8	D1026 F1027 D1030 F1046 R1055 G1056 T1057 K1063 A1064	D1026-Y1060 HydrophobicContact CB-CD1 3.98Å; F1027-Y1060 HydrophobicContact CB-CD1 4.29Å; F1027-Y1060 HydrophobicContact CB-CD2 4.23Å; F1027-Y1060 HydrophobicContact CB-CE1 4.35Å; F1027-Y1060 HydrophobicContact CB-CE2 4.29Å; F1027-Y1060 HydrophobicContact CB-CG 4.25Å; F1027-Y1060 HydrophobicContact CD2-CD2 4.07Å; F1027-Y1060 AromaticContact CD2-CE2 3.63Å; F1027-Y1060 HydrophobicContact CD2-CE2 3.63Å; F1027-Y1060 HydrophobicContact CG-CE2 4.46Å; D1030-Y1060 HydrophobicContact CB-CE1 4.41Å; D1030-Y1060 WeakPolarHBondContact CB-OH 3.42Å; D1030-Y1060 VanDerWaalsContact OD2-CE1 3.24Å; D1030-Y1060 WeakPolarHBondContact OD2-CE1 3.4Å; D1030-Y1060 PolarHBondContact OD2-OH 2.8Å; F1046-Y1060 HydrophobicContact CE2-CD2 4.44Å; R1055-Y1060 HydrophobicContact CB-CE2 4.32Å; G1056-Y1060 VanDerWaalsContact O-CD2 3.28Å; G1056-Y1060 WeakPolarHBondContact O-CD2 3.22Å; T1057-Y1060 PolarHBondContact O-N 2.91Å; Y1060-K1063 PolarHBondContact O-N 3.19Å; Y1060-A1064 PolarHBondContact O-N 3.14Å; Y1060-A1064 VanDerWaalsContact O-N 3.12Å
1061	L	95.9	Very high	89.2	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-45	175.3	-65.3	171.1	0	0	0	111.5	I990 E993 L994 V1020 A1023 T1057 K1063 A1064 V1065	I990-L1061 HydrophobicContact CG2-CD2 4.5Å; E993-L1061 HydrophobicContact CB-CD1 4.41Å; L994-L1061 HydrophobicContact CB-CD1 4.32Å; L994-L1061 HydrophobicContact CB-CD2 4.28Å; L994-L1061 HydrophobicContact CD1-CB 4.16Å; L994-L1061 HydrophobicContact CD1-CD2 4.08Å; V1020-L1061 HydrophobicContact CG2-CD2 4.33Å; A1023-L1061 HydrophobicContact CB-CD2 3.78Å; A1023-L1061 HydrophobicContact CB-CG 4.4Å; T1057-L1061 WeakPolarHBondContact O-CG 3.41Å; T1057-L1061 PolarHBondContact O-N 2.97Å; L1061-K1063 VanDerWaalsContact C-N 3.3Å; L1061-K1063 PolarHBondContact O-N 3.35Å; L1061-A1064 PolarHBondContact O-N 2.96Å; L1061-V1065 VanDerWaalsContact O-CG2 3.3Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.36Å; L1061-V1065 PolarHBondContact O-N 2.74Å
1062	T	94.3	Very high	88	Confident	51 Å²	51	59.1 Å²	59.1	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-42.2	178.2	-57.9	0	0	0	0	111	V997 V1001 S1058 V1065 M1066	V997-T1062 WeakPolarHBondContact CG1-OG1 3.48Å; V1001-T1062 HydrophobicContact CG2-CG2 4.18Å; S1058-T1062 VanDerWaalsContact O-CB 3.29Å; S1058-T1062 WeakPolarHBondContact O-CB 3.49Å; S1058-T1062 PolarHBondContact O-N 2.96Å; S1058-T1062 PolarHBondContact O-OG1 3.36Å; T1062-V1065 PolarHBondContact O-N 2.76Å; T1062-M1066 HydrophobicContact CG2-CG 4.27Å; T1062-M1066 WeakPolarHBondContact O-CB 3.31Å; T1062-M1066 VanDerWaalsContact O-CG 3.31Å; T1062-M1066 WeakPolarHBondContact O-CG 2.97Å; T1062-M1066 PolarHBondContact O-N 3.4Å
1063	K	93.4	Very high	86.6	Confident	106 Å²	106	59.2 Å²	59.2	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-45.5	179	-172.8	-178.7	173.5	-152.1	0	111.8	D1026 S1059 Y1060 L1061 M1066 I1067	D1026-K1063 WeakPolarHBondContact OD2-CD 3.28Å; D1026-K1063 VanDerWaalsContact OD2-CE 3.31Å; D1026-K1063 WeakPolarHBondContact OD2-CE 3.34Å; D1026-K1063 IonicContact OD2-NZ 3.95Å; D1026-K1063 PolarHBondContact OD2-NZ 2.83Å; S1059-K1063 PolarHBondContact O-N 3.13Å; S1059-K1063 VanDerWaalsContact O-N 3.11Å; Y1060-K1063 PolarHBondContact O-N 3.19Å; L1061-K1063 VanDerWaalsContact C-N 3.3Å; L1061-K1063 PolarHBondContact O-N 3.35Å; K1063-M1066 PolarHBondContact O-N 3.11Å; K1063-I1067 HydrophobicContact CG-CD1 4.08Å; K1063-I1067 VanDerWaalsContact O-CG1 3.27Å; K1063-I1067 WeakPolarHBondContact O-CG1 3.4Å; K1063-I1067 PolarHBondContact O-N 3.33Å
1064	A	94.5	Very high	85.2	Confident	2 Å²	2	63.2 Å²	63.2	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-47.4	176.5	0	0	0	0	0	111.4	L1019 E1022 A1023 Y1060 L1061 M1066 I1067 Q1068	L1019-A1064 HydrophobicContact CD2-CB 3.95Å; E1022-A1064 HydrophobicContact CB-CB 4.15Å; A1023-A1064 HydrophobicContact CB-CB 4.34Å; Y1060-A1064 PolarHBondContact O-N 3.14Å; Y1060-A1064 VanDerWaalsContact O-N 3.12Å; L1061-A1064 PolarHBondContact O-N 2.96Å; A1064-M1066 PolarHBondContact O-N 3.32Å; A1064-I1067 PolarHBondContact O-N 3.11Å; A1064-Q1068 PolarHBondContact O-N 3.07Å; A1064-Q1068 VanDerWaalsContact O-N 3.11Å
1065	V	94.1	Very high	84.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-46.2	178.2	172.5	0	0	0	0	112.1	L994 V998 V1001 L1019 L1061 T1062 I1067 Q1068 L1069	L994-V1065 HydrophobicContact CD1-CG2 3.55Å; V998-V1065 HydrophobicContact CG2-CG1 4.01Å; V998-V1065 HydrophobicContact CG2-CG2 3.6Å; V1001-V1065 HydrophobicContact CB-CG1 4.47Å; V1001-V1065 HydrophobicContact CG1-CG1 4.34Å; L1019-V1065 HydrophobicContact CD1-CG2 4.18Å; L1019-V1065 HydrophobicContact CD2-CG2 4.38Å; L1061-V1065 VanDerWaalsContact O-CG2 3.3Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.36Å; L1061-V1065 PolarHBondContact O-N 2.74Å; T1062-V1065 PolarHBondContact O-N 2.76Å; V1065-I1067 PolarHBondContact O-N 3.43Å; V1065-Q1068 PolarHBondContact O-N 3.14Å; V1065-L1069 HydrophobicContact CG1-CD1 3.84Å; V1065-L1069 HydrophobicContact CG1-CG 4.44Å; V1065-L1069 PolarHBondContact O-N 3.25Å
1066	M	91.1	Very high	82.2	Confident	56 Å²	56	59.6 Å²	59.6	28%	0.276	32%	0.316	S	S	.	.	H	α-helix	trans	-63.6	-40.2	179.1	-74.4	-63.4	-64.3	0	0	112.1	V1001 T1062 K1063 A1064 Q1068 L1069 L1070	V1001-M1066 HydrophobicContact CG1-SD 3.54Å; V1001-M1066 VanDerWaalsContact CG1-SD 3.54Å; T1062-M1066 HydrophobicContact CG2-CG 4.27Å; T1062-M1066 WeakPolarHBondContact O-CB 3.31Å; T1062-M1066 VanDerWaalsContact O-CG 3.31Å; T1062-M1066 WeakPolarHBondContact O-CG 2.97Å; T1062-M1066 PolarHBondContact O-N 3.4Å; K1063-M1066 PolarHBondContact O-N 3.11Å; A1064-M1066 PolarHBondContact O-N 3.32Å; M1066-Q1068 VanDerWaalsContact C-N 3.3Å; M1066-Q1068 PolarHBondContact O-N 3.19Å; M1066-L1069 PolarHBondContact O-N 3Å; M1066-L1070 HydrophobicContact CE-CD1 4.48Å; M1066-L1070 WeakPolarHBondContact O-CB 3.31Å; M1066-L1070 WeakPolarHBondContact O-CG 3.1Å; M1066-L1070 PolarHBondContact O-N 3.28Å
1067	I	89.7	Confident	79.8	Confident	69 Å²	69	63.8 Å²	63.8	35%	0.354	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-43.8	176.5	-71	166.7	0	0	0	110.2	K1063 A1064 V1065 Q1071	K1063-I1067 HydrophobicContact CG-CD1 4.08Å; K1063-I1067 VanDerWaalsContact O-CG1 3.27Å; K1063-I1067 WeakPolarHBondContact O-CG1 3.4Å; K1063-I1067 PolarHBondContact O-N 3.33Å; A1064-I1067 PolarHBondContact O-N 3.11Å; V1065-I1067 PolarHBondContact O-N 3.43Å; I1067-Q1071 VanDerWaalsContact O-CG 3.31Å; I1067-Q1071 WeakPolarHBondContact O-CG 3.47Å; I1067-Q1071 PolarHBondContact O-N 3.5Å
1068	Q	89.3	Confident	77.4	Confident	58 Å²	58	73.3 Å²	73.3	27%	0.271	39%	0.385	S	S	.	.	H	α-helix	trans	-68.5	-41.5	179.5	-169.4	172	11.9	0	0	112.7	F1010 L1019 A1064 V1065 M1066 Q1071	F1010-Q1068 HydrophobicContact CD1-CG 4.5Å; F1010-Q1068 HydrophobicContact CE1-CG 4.41Å; L1019-Q1068 HydrophobicContact CD2-CB 4.31Å; L1019-Q1068 VanDerWaalsContact CG-OE1 3.24Å; A1064-Q1068 PolarHBondContact O-N 3.07Å; A1064-Q1068 VanDerWaalsContact O-N 3.11Å; V1065-Q1068 PolarHBondContact O-N 3.14Å; M1066-Q1068 VanDerWaalsContact C-N 3.3Å; M1066-Q1068 PolarHBondContact O-N 3.19Å; Q1068-Q1071 PolarHBondContact O-N 2.77Å
1069	L	88.1	Confident	75.1	Confident	4 Å²	4	79.3 Å²	79.3	2%	0.021	42%	0.415	C	S	.	.	H	α-helix	trans	-65	-38.8	177.3	-76.2	169.6	0	0	0	112.4	V1001 L1002 L1008 F1010 V1065 M1066 Q1071 G1072	V1001-L1069 HydrophobicContact CG1-CD1 3.58Å; L1002-L1069 HydrophobicContact CD2-CD1 4.17Å; L1002-L1069 HydrophobicContact CD2-CD2 4.04Å; L1008-L1069 HydrophobicContact CD1-CB 4.39Å; L1008-L1069 HydrophobicContact CD1-CD1 4.34Å; F1010-L1069 HydrophobicContact CD1-CD2 3.53Å; F1010-L1069 HydrophobicContact CD1-CG 4.17Å; F1010-L1069 HydrophobicContact CD2-CD2 3.93Å; F1010-L1069 HydrophobicContact CE1-CD2 3.52Å; F1010-L1069 HydrophobicContact CE1-CG 3.73Å; F1010-L1069 HydrophobicContact CE2-CD2 3.92Å; F1010-L1069 HydrophobicContact CG-CD2 3.76Å; F1010-L1069 HydrophobicContact CZ-CD1 4.44Å; F1010-L1069 HydrophobicContact CZ-CD2 3.72Å; F1010-L1069 HydrophobicContact CZ-CG 4Å; V1065-L1069 HydrophobicContact CG1-CD1 3.84Å; V1065-L1069 HydrophobicContact CG1-CG 4.44Å; V1065-L1069 PolarHBondContact O-N 3.25Å; M1066-L1069 PolarHBondContact O-N 3Å; L1069-Q1071 PolarHBondContact O-N 3.37Å; L1069-G1072 PolarHBondContact O-N 3.17Å; L1069-G1072 VanDerWaalsContact O-N 3.11Å
1070	L	84.5	Confident	72.4	Confident	114 Å²	114	82.6 Å²	82.6	60%	0.597	43%	0.429	S	S	*	.	H	α-helix	trans	-72.7	-11.9	178.5	-68.9	172.4	0	0	0	113.7	M1066 G1072	M1066-L1070 HydrophobicContact CE-CD1 4.48Å; M1066-L1070 WeakPolarHBondContact O-CB 3.31Å; M1066-L1070 WeakPolarHBondContact O-CG 3.1Å; M1066-L1070 PolarHBondContact O-N 3.28Å; L1070-G1072 VanDerWaalsContact C-N 3.32Å
1071	Q	76.6	Confident	69.9	Low	154 Å²	154	88 Å²	88	72%	0.72	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-8.4	170.7	-71.5	171.2	13.8	0	0	112.6	I1067 Q1068 L1069	I1067-Q1071 VanDerWaalsContact O-CG 3.31Å; I1067-Q1071 WeakPolarHBondContact O-CG 3.47Å; I1067-Q1071 PolarHBondContact O-N 3.5Å; Q1068-Q1071 PolarHBondContact O-N 2.77Å; L1069-Q1071 PolarHBondContact O-N 3.37Å
1072	G	62.2	Low	67.3	Low	23 Å²	23	93 Å²	93	24%	0.237	50%	0.5	C	S	.	.	S	Bend	trans	-91.5	169.6	177.2	0	0	0	0	0	114.2	L1069 L1070	L1069-G1072 PolarHBondContact O-N 3.17Å; L1069-G1072 VanDerWaalsContact O-N 3.11Å; L1070-G1072 VanDerWaalsContact C-N 3.32Å
1073	D	56.5	Low	64.4	Low	148 Å²	148	95.4 Å²	95.4	79%	0.791	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-75.2	129.5	178.2	-70.3	-35.6	0	0	0	111.6
1074	M	54	Low	61.6	Low	131 Å²	131	96.9 Å²	96.9	65%	0.645	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-82.7	124.9	176.4	-66.4	-117.4	-63.8	0	0	111.2	L1008	L1008-M1074 HydrophobicContact CD2-SD 3.65Å
1075	K	51.8	Low	58.7	Low	122 Å²	122	105.4 Å²	105.4	53%	0.53	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-79.6	133.4	171.1	-87.2	178.3	178.4	149.4	0	110.8	E1009 C1077	E1009-K1075 WeakPolarHBondContact OE1-CD 3.39Å; E1009-K1075 WeakPolarHBondContact OE1-CE 3.38Å; E1009-K1075 IonicContact OE1-NZ 2.76Å; E1009-K1075 PolarHBondContact OE1-NZ 3.16Å; E1009-K1075 IonicContact OE2-NZ 2.74Å; E1009-K1075 PolarHBondContact OE2-NZ 2.93Å; K1075-C1077 PolarHBondContact O-N 3.29Å
1076	P	43.8	Very low	57	Low	120 Å²	120	110.7 Å²	110.7	78%	0.779	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-68	122.4	171.4	25.8	-30.1	0	0	0	109.8	K1078	P1076-K1078 PolarHBondContact O-N 3.37Å
1077	C	39.9	Very low	55.2	Low	91 Å²	91	113.6 Å²	113.6	62%	0.615	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-62.4	125.3	174	-170	0	0	0	0	109.6	K1075 D1079	K1075-C1077 PolarHBondContact O-N 3.29Å; C1077-D1079 VanDerWaalsContact C-N 3.3Å
1078	K	44.3	Very low	53.2	Low	200 Å²	200	116.1 Å²	116.1	87%	0.87	67%	0.667	S	S	*	*	S	Bend	trans	-80.9	-6.6	179.7	-84.4	-173.4	175.8	179.3	0	114.1	P1076	P1076-K1078 PolarHBondContact O-N 3.37Å
1079	D	45.4	Very low	51.1	Low	152 Å²	152	119.5 Å²	119.5	81%	0.813	69%	0.69	S	S	*	*	S	Bend	trans	-131.8	51.1	-173.4	-69.6	-42.6	0	0	0	113.1	C1077	C1077-D1079 VanDerWaalsContact C-N 3.3Å
1080	D	34.9	Very low	48.8	Very low	121 Å²	121	126.7 Å²	126.7	65%	0.647	73%	0.732	S	S	*	*			trans	-143.8	117.3	163.4	-141.6	-16.7	0	0	0	112	C1082	D1080-C1082 PolarHBondContact O-N 3.2Å
1081	P	43.3	Very low	46.4	Very low	125 Å²	125	127.5 Å²	127.5	81%	0.812	74%	0.741	S	S	*	*	S	Bend	trans	-80.7	16.3	-176.7	31.8	-33.2	0	0	0	114.5
1082	C	42	Very low	44.3	Very low	107 Å²	107	125.6 Å²	125.6	72%	0.723	74%	0.742	S	S	*	*			trans	-122.9	72.9	178.3	-80.4	0	0	0	0	112.6	D1080	D1080-C1082 PolarHBondContact O-N 3.2Å
1083	A	32.8	Very low	42.9	Very low	100 Å²	100	133.5 Å²	133.5	83%	0.826	78%	0.781	S	S	*	*			trans	-84.9	115.3	154.2	0	0	0	0	0	108.7
1084	V	35.9	Very low	41.8	Very low	137 Å²	137	132.3 Å²	132.3	83%	0.83	78%	0.78	S	S	*	*			trans	-96	126.2	162.1	-179.4	0	0	0	0	107.4
1085	S	33.2	Very low	40.7	Very low	182 Å²	182	132.5 Å²	132.5	100%	1.273	79%	0.793	S	S	*	*			trans	-52.5	0	179.9	58.6	0	0	0	0	115.5

Retrieved 1,085 of 1,085 residues in 1307.5 ms (Link to these results)

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